| 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 | 34.4 | Very low | 30.1 | Very low | 242 Ų | 242 | 139.8 Ų | 139.8 | 100% | 1.192 | 75% | 0.752 | S | S | * | * | 0 | 118.3 | 0 | -54.9 | 174.1 | -167.6 | 0 | 0 | 105.8 | |||||
| 2 | S | 32.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | cis | -118.5 | 152.9 | 14.2 | -61.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3 | E | 31 | Very low | 29.6 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -62.6 | 166.4 | 154 | -61.5 | 179.7 | 103.5 | 0 | 0 | 110.2 | ||||
| 4 | N | 30.2 | Very low | 29.4 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | cis | -167.2 | 174.5 | 0.5 | -132.4 | -34.4 | 0 | 0 | 0 | 111.7 | ||||
| 5 | L | 33.1 | Very low | 29.3 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | 66.2 | 142.6 | 147.2 | -69 | 163.9 | 0 | 0 | 0 | 119.8 | ||||
| 6 | D | 29.6 | Very low | 29.3 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 55% | 0.545 | 79% | 0.785 | S | S | . | * | cis | -168.7 | 164.1 | -14.9 | -157.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 7 | K | 30.6 | Very low | 29.3 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | 63.7 | 136.4 | 163.3 | -71.1 | 141.7 | -178.9 | 137.3 | 0 | 117.5 | ||||
| 8 | S | 27.3 | Very low | 29.2 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | cis | 70.5 | 141.5 | 34.7 | 91.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 9 | N | 27.4 | Very low | 29.5 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | cis | -165.7 | 165.1 | 4.6 | -122.2 | 13.4 | 0 | 0 | 0 | 108.1 | ||||
| 10 | V | 29 | Very low | 29.6 | Very low | 105 Ų | 105 | 142 Ų | 142 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | cis | -167.7 | 165.7 | -4.7 | 77 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 11 | N | 25.9 | Very low | 30 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 72.8 | 143.3 | 158.2 | -80.3 | 7.9 | 0 | 0 | 0 | 125.6 | ||||
| 12 | E | 26.1 | Very low | 30.2 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 94.8 | 116.7 | 140.1 | -90.1 | -177.3 | 151.5 | 0 | 0 | 125.4 | ||||
| 13 | A | 27.6 | Very low | 30.4 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | 45.6 | 121.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 14 | G | 25.9 | Very low | 30.5 | Very low | 82 Ų | 82 | 131.5 Ų | 131.5 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | 178.1 | 129 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 15 | K | 29.2 | Very low | 30.9 | Very low | 216 Ų | 216 | 131.9 Ų | 131.9 | 94% | 0.939 | 75% | 0.748 | S | S | * | * | trans | -109.1 | 130.9 | 169.8 | -91.1 | -176.8 | 173.2 | 179.1 | 0 | 110 | ||||
| 16 | S | 28.8 | Very low | 31.1 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | -169.1 | 118.7 | 145.3 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 17 | K | 29 | Very low | 31.4 | Very low | 202 Ų | 202 | 133 Ų | 133 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | trans | 24.4 | 137.5 | 143.3 | -62.2 | -175.5 | 172.7 | -170.3 | 0 | 121.7 | ||||
| 18 | S | 28.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -135.2 | 91.2 | 151 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 19 | N | 33.7 | Very low | 32.7 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | trans | -143.8 | 91.8 | 178.2 | -97.5 | 84.4 | 0 | 0 | 0 | 107.5 | ||||
| 20 | D | 32.8 | Very low | 33.4 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | trans | -160.6 | 27.2 | -177.6 | -123.9 | -14 | 0 | 0 | 0 | 112.7 | ||||
| 21 | S | 37.8 | Very low | 33.8 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -135.7 | -5.3 | -171.6 | -52.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 22 | E | 37.9 | Very low | 34.6 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -105.7 | -38.5 | -178.2 | -66.2 | 176.4 | 141.1 | 0 | 0 | 111.9 | G24 L25 | E22-G24 PolarHBondContact O-N 3.15Å; E22-G24 VanDerWaalsContact O-N 3.16Å; E22-L25 PolarHBondContact O-N 3.16Å; E22-L25 VanDerWaalsContact O-N 3.15Å |
| 23 | Q | 36.5 | Very low | 35.3 | Very low | 143 Ų | 143 | 118.7 Ų | 118.7 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -63.6 | -24.2 | -177.9 | -70.9 | -177.4 | -87.4 | 0 | 0 | 114.4 | L25 | Q23-L25 PolarHBondContact O-N 3.19Å |
| 24 | G | 33.5 | Very low | 35.9 | Very low | 65 Ų | 65 | 119.3 Ų | 119.3 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -70.5 | -6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | E22 | E22-G24 PolarHBondContact O-N 3.15Å; E22-G24 VanDerWaalsContact O-N 3.16Å |
| 25 | L | 38.2 | Very low | 36.5 | Very low | 126 Ų | 126 | 118.1 Ų | 118.1 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -105.7 | -23.5 | 179.7 | -72.2 | 166.5 | 0 | 0 | 0 | 113.5 | E22 Q23 V29 | E22-L25 PolarHBondContact O-N 3.16Å; E22-L25 VanDerWaalsContact O-N 3.15Å; Q23-L25 PolarHBondContact O-N 3.19Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å |
| 26 | E | 37.8 | Very low | 37 | Very low | 138 Ų | 138 | 113.2 Ų | 113.2 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -79.1 | -48.9 | -179.6 | -62.7 | -176.2 | 133.9 | 0 | 0 | 111.2 | A28 V29 E30 | E26-A28 PolarHBondContact O-N 3.35Å; E26-A28 VanDerWaalsContact O-N 3.11Å; E26-V29 PolarHBondContact O-N 2.56Å; E26-E30 PolarHBondContact O-N 3.46Å |
| 27 | D | 37 | Very low | 37.4 | Very low | 126 Ų | 126 | 113.7 Ų | 113.7 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -53.7 | -33.4 | 174.6 | -75.1 | -1.5 | 0 | 0 | 0 | 112.7 | V29 G31 | D27-V29 VanDerWaalsContact C-N 3.3Å; D27-V29 PolarHBondContact O-N 3.34Å; D27-G31 PolarHBondContact O-N 3.24Å |
| 28 | A | 40.9 | Very low | 37.7 | Very low | 67 Ų | 67 | 110.4 Ų | 110.4 | 55% | 0.554 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.7 | -20.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E26 | E26-A28 PolarHBondContact O-N 3.35Å; E26-A28 VanDerWaalsContact O-N 3.11Å |
| 29 | V | 43.3 | Very low | 37.9 | Very low | 102 Ų | 102 | 108.5 Ų | 108.5 | 62% | 0.618 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -92.5 | -44.1 | 179.1 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | L25 E26 D27 G31 A32 D33 | L25-V29 WeakPolarHBondContact O-CG2 3.49Å; E26-V29 PolarHBondContact O-N 2.56Å; D27-V29 VanDerWaalsContact C-N 3.3Å; D27-V29 PolarHBondContact O-N 3.34Å; V29-G31 VanDerWaalsContact C-N 3.29Å; V29-G31 PolarHBondContact O-N 3.11Å; V29-A32 WeakPolarHBondContact O-CB 3.45Å; V29-A32 PolarHBondContact O-N 2.95Å; V29-A32 VanDerWaalsContact O-N 3.11Å; V29-D33 PolarHBondContact O-N 3.17Å |
| 30 | E | 42.2 | Very low | 38 | Very low | 150 Ų | 150 | 109.3 Ų | 109.3 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.2 | -39.9 | 176.7 | -67.1 | -157.9 | 141.5 | 0 | 0 | 112.1 | E26 A32 D33 E34 | E26-E30 PolarHBondContact O-N 3.46Å; E30-A32 PolarHBondContact O-N 3.33Å; E30-D33 PolarHBondContact O-N 3.23Å; E30-E34 PolarHBondContact O-N 3.31Å |
| 31 | G | 36.4 | Very low | 38.1 | Very low | 51 Ų | 51 | 110.7 Ų | 110.7 | 53% | 0.526 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.4 | -22.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | D27 V29 | D27-G31 PolarHBondContact O-N 3.24Å; V29-G31 VanDerWaalsContact C-N 3.29Å; V29-G31 PolarHBondContact O-N 3.11Å |
| 32 | A | 43.6 | Very low | 38.1 | Very low | 53 Ų | 53 | 110 Ų | 110 | 44% | 0.438 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -80.7 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V29 E30 A35 L36 | V29-A32 WeakPolarHBondContact O-CB 3.45Å; V29-A32 PolarHBondContact O-N 2.95Å; V29-A32 VanDerWaalsContact O-N 3.11Å; E30-A32 PolarHBondContact O-N 3.33Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 3.01Å; A32-L36 PolarHBondContact O-N 3.24Å; A32-L36 VanDerWaalsContact O-N 3.17Å |
| 33 | D | 41.3 | Very low | 37.6 | Very low | 97 Ų | 97 | 110.5 Ų | 110.5 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.4 | -37.1 | -177.2 | -126.3 | 28.7 | 0 | 0 | 0 | 111.8 | V29 E30 A35 L36 Q37 | V29-D33 PolarHBondContact O-N 3.17Å; E30-D33 PolarHBondContact O-N 3.23Å; D33-A35 PolarHBondContact O-N 3.21Å; D33-L36 PolarHBondContact O-N 3.11Å; D33-Q37 WeakPolarHBondContact O-CG 3.38Å; D33-Q37 PolarHBondContact O-N 3.37Å |
| 34 | E | 40.1 | Very low | 37.2 | Very low | 118 Ų | 118 | 109.6 Ų | 109.6 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -55.8 | -37 | 168.2 | -96.5 | -114.5 | 140.9 | 0 | 0 | 112.5 | E30 K38 | E30-E34 PolarHBondContact O-N 3.31Å; E34-K38 WeakPolarHBondContact O-CG 3.46Å; E34-K38 PolarHBondContact O-N 3.26Å; E34-K38 IonicContact OE1-NZ 2.56Å; E34-K38 IonicContact OE2-NZ 3.11Å; E34-K38 PolarHBondContact OE2-NZ 3.29Å |
| 35 | A | 38.9 | Very low | 37.1 | Very low | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.4 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A32 D33 K38 A39 | A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 3.01Å; D33-A35 PolarHBondContact O-N 3.21Å; A35-K38 PolarHBondContact O-N 3.29Å; A35-A39 PolarHBondContact O-N 3.4Å |
| 36 | L | 38.4 | Very low | 36.7 | Very low | 113 Ų | 113 | 111.6 Ų | 111.6 | 59% | 0.592 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.4 | -43.9 | 173.8 | -102.4 | 73.4 | 0 | 0 | 0 | 111.8 | A32 D33 K38 A39 | A32-L36 PolarHBondContact O-N 3.24Å; A32-L36 VanDerWaalsContact O-N 3.17Å; D33-L36 PolarHBondContact O-N 3.11Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.49Å; L36-A39 PolarHBondContact O-N 3.37Å |
| 37 | Q | 37.7 | Very low | 36.6 | Very low | 126 Ų | 126 | 111 Ų | 111 | 59% | 0.589 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67.8 | -23.3 | -178.6 | -69.9 | -173.3 | 39.3 | 0 | 0 | 113.8 | D33 | D33-Q37 WeakPolarHBondContact O-CG 3.38Å; D33-Q37 PolarHBondContact O-N 3.37Å |
| 38 | K | 36 | Very low | 36.2 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 58% | 0.578 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -80.3 | -33.3 | 172.9 | -75.7 | 165.9 | -174.9 | 158.7 | 0 | 112.6 | E34 A35 L36 I40 K41 | E34-K38 WeakPolarHBondContact O-CG 3.46Å; E34-K38 PolarHBondContact O-N 3.26Å; E34-K38 IonicContact OE1-NZ 2.56Å; E34-K38 IonicContact OE2-NZ 3.11Å; E34-K38 PolarHBondContact OE2-NZ 3.29Å; A35-K38 PolarHBondContact O-N 3.29Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.49Å; K38-I40 VanDerWaalsContact C-N 3.26Å; K38-I40 PolarHBondContact O-N 3.27Å; K38-K41 PolarHBondContact O-N 3.21Å |
| 39 | A | 32.7 | Very low | 35.7 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.7 | -20.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A35 L36 K41 | A35-A39 PolarHBondContact O-N 3.4Å; L36-A39 PolarHBondContact O-N 3.37Å; A39-K41 VanDerWaalsContact C-N 3.32Å; A39-K41 PolarHBondContact O-N 3.3Å |
| 40 | I | 34.4 | Very low | 35.2 | Very low | 145 Ų | 145 | 123.1 Ų | 123.1 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 0.3 | -177 | -60.7 | 170.9 | 0 | 0 | 0 | 112.3 | K38 | K38-I40 VanDerWaalsContact C-N 3.26Å; K38-I40 PolarHBondContact O-N 3.27Å |
| 41 | K | 36.6 | Very low | 34.7 | Very low | 187 Ų | 187 | 124 Ų | 124 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -113.4 | 44.8 | -173.9 | -71.2 | -179.7 | -179.9 | 165.8 | 0 | 114.9 | K38 A39 | K38-K41 PolarHBondContact O-N 3.21Å; A39-K41 VanDerWaalsContact C-N 3.32Å; A39-K41 PolarHBondContact O-N 3.3Å |
| 42 | S | 37 | Very low | 34.5 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -144.5 | 142.9 | 164.8 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 43 | D | 27.6 | Very low | 34.2 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | 66.4 | 92 | 171.8 | -62.3 | -16.8 | 0 | 0 | 0 | 119.9 | ||||
| 44 | S | 28.3 | Very low | 33.8 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | -166 | 139.3 | 115.8 | 35 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 45 | S | 29.9 | Very low | 33.5 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -91.1 | 126.9 | -178.1 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 46 | S | 30 | Very low | 33.3 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -80.8 | 153.7 | 168 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 47 | P | 35.3 | Very low | 33.2 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -112.1 | 162.7 | 82.4 | 35.9 | -36.1 | 0 | 0 | 0 | 111.7 | |||||
| 48 | Q | 30.3 | Very low | 33.5 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | cis | -149.5 | 137.8 | 29 | -169.1 | 171.6 | -6.8 | 0 | 0 | 110.2 | V50 | Q48-V50 PolarHBondContact O-N 3.16Š| ||
| 49 | R | 29.7 | Very low | 34.2 | Very low | 227 Ų | 227 | 146.2 Ų | 146.2 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -95.9 | 99.2 | -164.6 | -171.9 | -179.2 | -174.9 | 178.7 | 2 | 113.8 | ||||
| 50 | V | 32.5 | Very low | 35.2 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 131.9 | 159.8 | -178 | 0 | 0 | 0 | 0 | 108.8 | Q48 | Q48-V50 PolarHBondContact O-N 3.16Š|
| 51 | Q | 32.7 | Very low | 36.2 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 122.9 | -179 | -62.2 | -178 | 7.5 | 0 | 0 | 110.5 | ||
| 52 | R | 31.4 | Very low | 38 | Very low | 227 Ų | 227 | 143.5 Ų | 143.5 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 141.6 | 163.2 | -61.8 | -177.7 | -175 | 175.1 | 0.8 | 108.6 | ||
| 53 | P | 37.2 | Very low | 39.6 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 153.3 | 171.4 | 28.6 | -34.3 | 0 | 0 | 0 | 110.8 | S55 | P53-S55 PolarHBondContact O-N 3.06Š|
| 54 | H | 33 | Very low | 41.7 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 123.5 | -174 | -66 | -96.3 | 0 | 0 | 0 | 111.6 | ||
| 55 | S | 34.3 | Very low | 43.7 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 142.1 | 167.3 | 42.9 | 0 | 0 | 0 | 0 | 111.2 | P53 | P53-S55 PolarHBondContact O-N 3.06Š|
| 56 | S | 34.7 | Very low | 45.6 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 157.5 | 172.7 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 57 | P | 35.4 | Very low | 47.6 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.1 | 177.4 | -23.3 | 33.9 | 0 | 0 | 0 | 112.3 | R59 | P57-R59 PolarHBondContact O-N 3.3Š|
| 58 | P | 45 | Very low | 49.6 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 127.7 | 177 | 27.1 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 59 | R | 50.6 | Low | 51.6 | Low | 225 Ų | 225 | 134 Ų | 134 | 85% | 0.849 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 121.3 | 175.4 | -160.5 | 176.1 | -170.1 | 170.4 | 0.5 | 108.2 | P57 V61 | P57-R59 PolarHBondContact O-N 3.3Å; R59-V61 PolarHBondContact O-N 2.59Å; R59-V61 VanDerWaalsContact O-N 3.16Å |
| 60 | F | 53.3 | Low | 53.6 | Low | 198 Ų | 198 | 125.6 Ų | 125.6 | 87% | 0.868 | 66% | 0.663 | S | S | * | * | trans | -67.6 | 112.1 | 177 | -66.4 | -84.8 | 0 | 0 | 0 | 110 | ||||
| 61 | V | 54.8 | Low | 55.8 | Low | 75 Ų | 75 | 126.8 Ų | 126.8 | 46% | 0.455 | 65% | 0.653 | S | S | . | * | trans | -86.7 | 137.1 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | R59 E65 L66 | R59-V61 PolarHBondContact O-N 2.59Å; R59-V61 VanDerWaalsContact O-N 3.16Å; V61-E65 HydrophobicContact CG1-CB 4Å; V61-E65 HydrophobicContact CG1-CG 3.87Å; V61-E65 WeakPolarHBondContact CG1-OE2 3.31Å; V61-L66 HydrophobicContact CB-CD2 4.41Å; V61-L66 HydrophobicContact CG1-CD2 3.75Å; V61-L66 HydrophobicContact CG1-CG 3.82Å | ||
| 62 | T | 75.4 | Confident | 57.9 | Low | 76 Ų | 76 | 119.8 Ų | 119.8 | 47% | 0.466 | 63% | 0.626 | S | S | . | * | trans | -82.2 | 156.9 | -179.8 | 74.3 | 0 | 0 | 0 | 0 | 111.9 | E64 E65 L66 | T62-E64 PolarHBondContact O-N 3.43Å; T62-E65 PolarHBondContact O-N 3.47Å; T62-E65 VanDerWaalsContact OG1-CB 3.31Å; T62-E65 WeakPolarHBondContact OG1-CB 3.38Å; T62-E65 PolarHBondContact OG1-N 3.34Å; T62-L66 WeakPolarHBondContact O-CG 3.37Å; T62-L66 PolarHBondContact O-N 2.92Å | ||
| 63 | V | 70.3 | Confident | 60.2 | Low | 124 Ų | 124 | 111.9 Ų | 111.9 | 75% | 0.752 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.9 | -32.1 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | L67 | V63-L67 WeakPolarHBondContact O-CB 3.44Å; V63-L67 PolarHBondContact O-N 3.01Å |
| 64 | E | 70.6 | Confident | 62.5 | Low | 162 Ų | 162 | 110.1 Ų | 110.1 | 76% | 0.757 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69 | -44.9 | 174.7 | -174 | 167.6 | -151.7 | 0 | 0 | 111.7 | T62 L66 L67 E68 | T62-E64 PolarHBondContact O-N 3.43Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L66 PolarHBondContact O-N 3.43Å; E64-L67 PolarHBondContact O-N 3.13Å; E64-E68 PolarHBondContact O-N 3.24Å |
| 65 | E | 71.7 | Confident | 65 | Low | 64 Ų | 64 | 105.1 Ų | 105.1 | 30% | 0.299 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.9 | -37.4 | 174.8 | -175.6 | 178.1 | -169.2 | 0 | 0 | 111.8 | V61 T62 T69 R256 | V61-E65 HydrophobicContact CG1-CB 4Å; V61-E65 HydrophobicContact CG1-CG 3.87Å; V61-E65 WeakPolarHBondContact CG1-OE2 3.31Å; T62-E65 PolarHBondContact O-N 3.47Å; T62-E65 VanDerWaalsContact OG1-CB 3.31Å; T62-E65 WeakPolarHBondContact OG1-CB 3.38Å; T62-E65 PolarHBondContact OG1-N 3.34Å; E65-T69 WeakPolarHBondContact O-CB 3.46Å; E65-T69 PolarHBondContact O-N 2.63Å; E65-T69 PolarHBondContact O-OG1 2.91Å; E65-R256 VanDerWaalsContact CG-NH1 3.3Å; E65-R256 IonicContact OE1-CZ 3.34Å; E65-R256 IonicContact OE1-NH1 2.74Å; E65-R256 PolarHBondContact OE1-NH1 3.21Å |
| 66 | L | 69.6 | Low | 67.5 | Low | 99 Ų | 99 | 100.5 Ų | 100.5 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 172.1 | -69.5 | 172.6 | 0 | 0 | 0 | 112 | V61 T62 E64 T69 A70 | V61-L66 HydrophobicContact CB-CD2 4.41Å; V61-L66 HydrophobicContact CG1-CD2 3.75Å; V61-L66 HydrophobicContact CG1-CG 3.82Å; T62-L66 WeakPolarHBondContact O-CG 3.37Å; T62-L66 PolarHBondContact O-N 2.92Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L66 PolarHBondContact O-N 3.43Å; L66-T69 PolarHBondContact O-N 2.89Å; L66-A70 WeakPolarHBondContact O-CB 3.34Å; L66-A70 PolarHBondContact O-N 3.17Å |
| 67 | L | 71.9 | Confident | 70.1 | Confident | 94 Ų | 94 | 97.3 Ų | 97.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 179.5 | -175.9 | 63 | 0 | 0 | 0 | 112.2 | V63 E64 R71 | V63-L67 WeakPolarHBondContact O-CB 3.44Å; V63-L67 PolarHBondContact O-N 3.01Å; E64-L67 PolarHBondContact O-N 3.13Å; L67-R71 WeakPolarHBondContact O-CG 3.29Å; L67-R71 PolarHBondContact O-N 3.16Å; L67-R71 VanDerWaalsContact O-N 3.09Å |
| 68 | E | 77.2 | Confident | 72.6 | Confident | 134 Ų | 134 | 95.8 Ų | 95.8 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 171.9 | -170.1 | -176.5 | -151.9 | 0 | 0 | 111.1 | E64 A70 R71 G72 | E64-E68 PolarHBondContact O-N 3.24Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 2.94Å; E68-R71 PolarHBondContact O-N 3.24Å; E68-G72 PolarHBondContact O-N 3.04Å |
| 69 | T | 71.4 | Confident | 74.6 | Confident | 42 Ų | 42 | 90.9 Ų | 90.9 | 26% | 0.258 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 175.5 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | E65 L66 R71 G72 V73 R256 | E65-T69 WeakPolarHBondContact O-CB 3.46Å; E65-T69 PolarHBondContact O-N 2.63Å; E65-T69 PolarHBondContact O-OG1 2.91Å; L66-T69 PolarHBondContact O-N 2.89Å; T69-R71 PolarHBondContact O-N 3.49Å; T69-G72 PolarHBondContact O-N 3.17Å; T69-G72 VanDerWaalsContact O-N 3.15Å; T69-V73 WeakPolarHBondContact O-CG2 3.41Å; T69-V73 PolarHBondContact O-N 3.27Å; T69-R256 PolarHBondContact OG1-NH1 2.79Å |
| 70 | A | 73.3 | Confident | 76.5 | Confident | 51 Ų | 51 | 80.2 Ų | 80.2 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L66 E68 G72 V73 T74 | L66-A70 WeakPolarHBondContact O-CB 3.34Å; L66-A70 PolarHBondContact O-N 3.17Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 2.94Å; A70-G72 VanDerWaalsContact C-N 3.34Å; A70-G72 PolarHBondContact O-N 2.97Å; A70-V73 PolarHBondContact O-N 3.33Å; A70-T74 PolarHBondContact O-N 2.96Å; A70-T74 PolarHBondContact O-OG1 3.3Å |
| 71 | R | 77.6 | Confident | 78.3 | Confident | 160 Ų | 160 | 73.2 Ų | 73.2 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.4 | -38.1 | 174.4 | -71.2 | 173 | 178.9 | -172.2 | 0.8 | 112.4 | L67 E68 T69 T74 N75 | L67-R71 WeakPolarHBondContact O-CG 3.29Å; L67-R71 PolarHBondContact O-N 3.16Å; L67-R71 VanDerWaalsContact O-N 3.09Å; E68-R71 PolarHBondContact O-N 3.24Å; T69-R71 PolarHBondContact O-N 3.49Å; R71-T74 WeakPolarHBondContact CA-OG1 3.23Å; R71-T74 PolarHBondContact O-OG1 2.97Å; R71-N75 WeakPolarHBondContact O-CB 3.45Å; R71-N75 PolarHBondContact O-N 2.8Å; R71-N75 PolarHBondContact O-ND2 3.22Å; R71-N75 PolarHBondContact O-OD1 2.74Å |
| 72 | G | 76.3 | Confident | 79.9 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 24% | 0.237 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E68 T69 A70 N75 M76 | E68-G72 PolarHBondContact O-N 3.04Å; T69-G72 PolarHBondContact O-N 3.17Å; T69-G72 VanDerWaalsContact O-N 3.15Å; A70-G72 VanDerWaalsContact C-N 3.34Å; A70-G72 PolarHBondContact O-N 2.97Å; G72-N75 PolarHBondContact O-N 3.07Å; G72-M76 WeakPolarHBondContact O-CB 3.32Å; G72-M76 PolarHBondContact O-N 3.36Å |
| 73 | V | 81.6 | Confident | 80.5 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 177.9 | 173 | 0 | 0 | 0 | 0 | 111.8 | T69 A70 N75 M76 A77 I253 | T69-V73 WeakPolarHBondContact O-CG2 3.41Å; T69-V73 PolarHBondContact O-N 3.27Å; A70-V73 PolarHBondContact O-N 3.33Å; V73-N75 VanDerWaalsContact C-N 3.31Å; V73-N75 PolarHBondContact O-N 3.26Å; V73-M76 PolarHBondContact O-N 3.04Å; V73-A77 WeakPolarHBondContact O-CB 3.43Å; V73-A77 PolarHBondContact O-N 3.28Å; V73-I253 HydrophobicContact CG2-CD1 3.94Å |
| 74 | T | 83.8 | Confident | 81.3 | Confident | 84 Ų | 84 | 63.2 Ų | 63.2 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 176.7 | 53 | 0 | 0 | 0 | 0 | 112.4 | A70 R71 L78 | A70-T74 PolarHBondContact O-N 2.96Å; A70-T74 PolarHBondContact O-OG1 3.3Å; R71-T74 WeakPolarHBondContact CA-OG1 3.23Å; R71-T74 PolarHBondContact O-OG1 2.97Å; T74-L78 WeakPolarHBondContact O-CB 3.43Å; T74-L78 PolarHBondContact O-N 3.04Å |
| 75 | N | 86.3 | Confident | 82.1 | Confident | 89 Ų | 89 | 58 Ų | 58 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.9 | -36.5 | 177.5 | -68.1 | -4.5 | 0 | 0 | 0 | 111.8 | R71 G72 V73 A79 | R71-N75 WeakPolarHBondContact O-CB 3.45Å; R71-N75 PolarHBondContact O-N 2.8Å; R71-N75 PolarHBondContact O-ND2 3.22Å; R71-N75 PolarHBondContact O-OD1 2.74Å; G72-N75 PolarHBondContact O-N 3.07Å; V73-N75 VanDerWaalsContact C-N 3.31Å; V73-N75 PolarHBondContact O-N 3.26Å; N75-A79 WeakPolarHBondContact O-CB 3.49Å; N75-A79 PolarHBondContact O-N 3.44Å |
| 76 | M | 87.6 | Confident | 82.6 | Confident | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.064 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | 172 | -173.9 | 179.2 | 74.6 | 0 | 0 | 111.4 | G72 V73 L78 A79 H80 E246 K249 I253 M328 | G72-M76 WeakPolarHBondContact O-CB 3.32Å; G72-M76 PolarHBondContact O-N 3.36Å; V73-M76 PolarHBondContact O-N 3.04Å; M76-L78 VanDerWaalsContact C-N 3.34Å; M76-L78 PolarHBondContact O-N 3.47Å; M76-A79 PolarHBondContact O-N 2.93Å; M76-H80 VanDerWaalsContact O-CB 3.31Å; M76-H80 WeakPolarHBondContact O-CB 3.25Å; M76-H80 PolarHBondContact O-N 2.91Å; M76-E246 HydrophobicContact CG-CG 4.11Å; M76-E246 HydrophobicContact SD-CG 4.21Å; M76-K249 HydrophobicContact CB-CB 4.47Å; M76-K249 HydrophobicContact CG-CB 4.19Å; M76-K249 HydrophobicContact SD-CB 3.49Å; M76-K249 WeakPolarHBondContact SD-CB 3.26Å; M76-I253 HydrophobicContact CE-CD1 4.36Å; M76-M328 HydrophobicContact CE-CE 4.07Å; M76-M328 HydrophobicContact CE-SD 3.91Å; M76-M328 HydrophobicContact CG-SD 4.49Å |
| 77 | A | 88.1 | Confident | 83.3 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V73 E81 M328 | V73-A77 WeakPolarHBondContact O-CB 3.43Å; V73-A77 PolarHBondContact O-N 3.28Å; A77-E81 VanDerWaalsContact O-CB 3.31Å; A77-E81 WeakPolarHBondContact O-CB 3.48Å; A77-E81 PolarHBondContact O-N 3.09Å; A77-M328 HydrophobicContact CB-SD 4.11Å |
| 78 | L | 87.8 | Confident | 84 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 45% | 0.45 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 175.6 | -179.7 | 60.8 | 0 | 0 | 0 | 112.5 | T74 M76 E81 I82 F88 | T74-L78 WeakPolarHBondContact O-CB 3.43Å; T74-L78 PolarHBondContact O-N 3.04Å; M76-L78 VanDerWaalsContact C-N 3.34Å; M76-L78 PolarHBondContact O-N 3.47Å; L78-E81 PolarHBondContact O-N 3.02Å; L78-I82 HydrophobicContact CD1-CD1 4.06Å; L78-I82 HydrophobicContact CD1-CG1 4.34Å; L78-I82 HydrophobicContact CG-CD1 4Å; L78-I82 WeakPolarHBondContact O-CD1 3.44Å; L78-I82 VanDerWaalsContact O-CG1 3.26Å; L78-I82 WeakPolarHBondContact O-CG1 3.32Å; L78-I82 PolarHBondContact O-N 3.35Å; L78-F88 HydrophobicContact CD1-CE1 4.05Å; L78-F88 HydrophobicContact CD1-CZ 3.84Å |
| 79 | A | 87.6 | Confident | 84.4 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N75 M76 V83 Y245 | N75-A79 WeakPolarHBondContact O-CB 3.49Å; N75-A79 PolarHBondContact O-N 3.44Å; M76-A79 PolarHBondContact O-N 2.93Å; A79-V83 WeakPolarHBondContact O-CG2 3.5Å; A79-V83 PolarHBondContact O-N 3.08Å; A79-Y245 HydrophobicContact CB-CD1 4.25Å; A79-Y245 HydrophobicContact CB-CE1 3.97Å |
| 80 | H | 91.2 | Very high | 85.2 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 173.1 | 172.2 | 108.9 | 0 | 0 | 0 | 111.2 | M76 I82 V83 V84 E246 M328 D329 R332 Y489 | M76-H80 VanDerWaalsContact O-CB 3.31Å; M76-H80 WeakPolarHBondContact O-CB 3.25Å; M76-H80 PolarHBondContact O-N 2.91Å; H80-I82 PolarHBondContact O-N 3.48Å; H80-V83 PolarHBondContact O-N 2.88Å; H80-V83 VanDerWaalsContact O-N 3.15Å; H80-V84 WeakPolarHBondContact O-CB 3.29Å; H80-V84 WeakPolarHBondContact O-CG2 3.5Å; H80-V84 PolarHBondContact O-N 2.73Å; H80-E246 IonicContact CE1-OE1 2.72Å; H80-E246 IonicContact CG-OE2 2.87Å; H80-E246 IonicContact ND1-OE1 3.56Å; H80-E246 PolarHBondContact ND1-OE1 2.87Å; H80-E246 IonicContact ND1-OE2 3.87Å; H80-E246 PolarHBondContact ND1-OE2 3.32Å; H80-M328 HydrophobicContact CB-CE 4.14Å; H80-M328 HydrophobicContact CB-SD 4.19Å; H80-M328 WeakPolarHBondContact ND1-CE 3.41Å; H80-D329 IonicContact CE1-OD1 2.59Å; H80-D329 IonicContact CE1-OD2 2.7Å; H80-D329 IonicContact NE2-OD1 2.7Å; H80-D329 PolarHBondContact NE2-OD1 3.36Å; H80-D329 IonicContact NE2-OD2 3.58Å; H80-R332 PolarHBondContact NE2-NH1 3.24Å; H80-R332 VanDerWaalsContact NE2-NH1 3.17Å; H80-Y489 AromaticContact ND1-CE1 3.67Å |
| 81 | E | 90.7 | Very high | 85.6 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 176.7 | -176.1 | 65 | -142.1 | 0 | 0 | 111.9 | A77 L78 V83 N85 F88 R332 | A77-E81 VanDerWaalsContact O-CB 3.31Å; A77-E81 WeakPolarHBondContact O-CB 3.48Å; A77-E81 PolarHBondContact O-N 3.09Å; L78-E81 PolarHBondContact O-N 3.02Å; E81-V83 PolarHBondContact O-N 3.14Å; E81-V83 VanDerWaalsContact O-N 3.16Å; E81-N85 VanDerWaalsContact O-CB 3.29Å; E81-N85 WeakPolarHBondContact O-CB 3.4Å; E81-N85 PolarHBondContact O-N 3.13Å; E81-N85 WeakPolarHBondContact OE1-CB 3.41Å; E81-N85 PolarHBondContact OE1-ND2 2.93Å; E81-F88 HydrophobicContact CG-CB 4.45Å; E81-F88 HydrophobicContact CG-CD2 3.33Å; E81-F88 HydrophobicContact CG-CE2 3.57Å; E81-F88 HydrophobicContact CG-CG 3.86Å; E81-F88 HydrophobicContact CG-CZ 4.26Å; E81-R332 IonicContact OE1-NH2 3.13Å; E81-R332 PolarHBondContact OE1-NH2 2.96Å; E81-R332 VanDerWaalsContact OE1-NH2 3.11Å; E81-R332 IonicContact OE2-CZ 3.37Å; E81-R332 IonicContact OE2-NH2 3.97Å; E81-R332 PolarHBondContact OE2-NH2 3.45Å |
| 82 | I | 88.4 | Confident | 85.5 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -29.3 | -179.6 | -67.6 | 161.9 | 0 | 0 | 0 | 112 | L78 H80 F88 I231 R235 L238 | L78-I82 HydrophobicContact CD1-CD1 4.06Å; L78-I82 HydrophobicContact CD1-CG1 4.34Å; L78-I82 HydrophobicContact CG-CD1 4Å; L78-I82 WeakPolarHBondContact O-CD1 3.44Å; L78-I82 VanDerWaalsContact O-CG1 3.26Å; L78-I82 WeakPolarHBondContact O-CG1 3.32Å; L78-I82 PolarHBondContact O-N 3.35Å; H80-I82 PolarHBondContact O-N 3.48Å; I82-F88 HydrophobicContact CB-CD1 4.46Å; I82-F88 HydrophobicContact CD1-CE1 4.41Å; I82-F88 HydrophobicContact CG1-CD1 3.59Å; I82-F88 HydrophobicContact CG1-CE1 3.65Å; I82-I231 HydrophobicContact CD1-CG1 4.49Å; I82-I231 HydrophobicContact CG1-CG2 4.22Å; I82-I231 HydrophobicContact CG2-CG2 4.01Å; I82-R235 HydrophobicContact CG2-CB 4.07Å; I82-R235 HydrophobicContact CG2-CG 4.32Å; I82-R235 PolarHBondContact O-NE 3.41Å; I82-R235 PolarHBondContact O-NH2 2.86Å; I82-L238 HydrophobicContact CB-CD1 4.16Å; I82-L238 HydrophobicContact CD1-CD1 4.15Å; I82-L238 HydrophobicContact CG2-CD1 3.67Å |
| 83 | V | 87.9 | Confident | 85.4 | Confident | 17 Ų | 17 | 64 Ų | 64 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -90 | -45.6 | -177.3 | 167.4 | 0 | 0 | 0 | 0 | 113 | A79 H80 E81 L238 M239 Y489 | A79-V83 WeakPolarHBondContact O-CG2 3.5Å; A79-V83 PolarHBondContact O-N 3.08Å; H80-V83 PolarHBondContact O-N 2.88Å; H80-V83 VanDerWaalsContact O-N 3.15Å; E81-V83 PolarHBondContact O-N 3.14Å; E81-V83 VanDerWaalsContact O-N 3.16Å; V83-L238 HydrophobicContact CG2-CB 3.82Å; V83-M239 HydrophobicContact CG1-CG 4.15Å; V83-M239 HydrophobicContact CG2-CG 4.05Å; V83-Y489 HydrophobicContact CG1-CD2 4.2Å; V83-Y489 HydrophobicContact CG1-CE2 3.59Å |
| 84 | V | 87.4 | Confident | 85 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -75.5 | -37.8 | -178.2 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | H80 L486 Y489 | H80-V84 WeakPolarHBondContact O-CB 3.29Å; H80-V84 WeakPolarHBondContact O-CG2 3.5Å; H80-V84 PolarHBondContact O-N 2.73Å; V84-L486 HydrophobicContact CG1-CD1 3.85Å; V84-Y489 HydrophobicContact CG2-CD1 3.53Å; V84-Y489 HydrophobicContact CG2-CE1 3.78Å; V84-Y489 HydrophobicContact CG2-CG 3.99Å |
| 85 | N | 86.7 | Confident | 84.5 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | trans | -98.5 | 96.4 | 178.4 | -177.2 | 3.1 | 0 | 0 | 0 | 110.7 | E81 D87 F88 R235 | E81-N85 VanDerWaalsContact O-CB 3.29Å; E81-N85 WeakPolarHBondContact O-CB 3.4Å; E81-N85 PolarHBondContact O-N 3.13Å; E81-N85 WeakPolarHBondContact OE1-CB 3.41Å; E81-N85 PolarHBondContact OE1-ND2 2.93Å; N85-D87 PolarHBondContact O-N 2.94Å; N85-D87 PolarHBondContact OD1-N 3.22Å; N85-D87 VanDerWaalsContact OD1-N 3.15Å; N85-F88 HydrophobicContact CB-CB 4Å; N85-F88 VanDerWaalsContact O-CB 3.24Å; N85-F88 WeakPolarHBondContact O-CB 3.41Å; N85-F88 PolarHBondContact O-N 3.33Å; N85-F88 VanDerWaalsContact O-N 3.08Å; N85-F88 PolarHBondContact OD1-N 3.44Å; N85-R235 PolarHBondContact O-NH2 2.86Å | ||
| 86 | G | 81.9 | Confident | 84.2 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R235 | G86-R235 PolarHBondContact O-NH1 2.99Å; G86-R235 PolarHBondContact O-NH2 3.43Å; G86-R235 VanDerWaalsContact O-NH2 3.16Å |
| 87 | D | 84.4 | Confident | 83.4 | Confident | 144 Ų | 144 | 73.8 Ų | 73.8 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 8.5 | 178.9 | -55.9 | -57 | 0 | 0 | 0 | 112.3 | N85 Q89 | N85-D87 PolarHBondContact O-N 2.94Å; N85-D87 PolarHBondContact OD1-N 3.22Å; N85-D87 VanDerWaalsContact OD1-N 3.15Å; D87-Q89 PolarHBondContact O-N 3.48Å |
| 88 | F | 87.2 | Confident | 82.8 | Confident | 37 Ų | 37 | 78.5 Ų | 78.5 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | trans | -59.4 | 123.6 | 177.3 | 177.7 | -104.2 | 0 | 0 | 0 | 111.4 | L78 E81 I82 N85 I231 R235 | L78-F88 HydrophobicContact CD1-CE1 4.05Å; L78-F88 HydrophobicContact CD1-CZ 3.84Å; E81-F88 HydrophobicContact CG-CB 4.45Å; E81-F88 HydrophobicContact CG-CD2 3.33Å; E81-F88 HydrophobicContact CG-CE2 3.57Å; E81-F88 HydrophobicContact CG-CG 3.86Å; E81-F88 HydrophobicContact CG-CZ 4.26Å; I82-F88 HydrophobicContact CB-CD1 4.46Å; I82-F88 HydrophobicContact CD1-CE1 4.41Å; I82-F88 HydrophobicContact CG1-CD1 3.59Å; I82-F88 HydrophobicContact CG1-CE1 3.65Å; N85-F88 HydrophobicContact CB-CB 4Å; N85-F88 VanDerWaalsContact O-CB 3.24Å; N85-F88 WeakPolarHBondContact O-CB 3.41Å; N85-F88 PolarHBondContact O-N 3.33Å; N85-F88 VanDerWaalsContact O-N 3.08Å; N85-F88 PolarHBondContact OD1-N 3.44Å; F88-I231 HydrophobicContact CD1-CD1 4.31Å; F88-I231 HydrophobicContact CD1-CG2 4.11Å; F88-I231 HydrophobicContact CE1-CD1 3.8Å; F88-R235 PolarHBondContact O-NH2 2.91Å | ||
| 89 | Q | 86.1 | Confident | 82.7 | Confident | 124 Ų | 124 | 75.8 Ų | 75.8 | 58% | 0.579 | 41% | 0.407 | S | S | * | . | trans | -142 | 140.5 | 174.9 | -66.6 | 179.6 | 6.2 | 0 | 0 | 108.5 | D87 K91 N228 | D87-Q89 PolarHBondContact O-N 3.48Å; Q89-K91 PolarHBondContact O-N 3.08Å; Q89-N228 VanDerWaalsContact CA-OD1 3.31Å; Q89-N228 WeakPolarHBondContact CA-OD1 3.11Å | ||
| 90 | I | 86.5 | Confident | 82.5 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 38% | 0.379 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -65 | 127 | 164.3 | -67 | 167.4 | 0 | 0 | 0 | 107.6 | V224 A227 N228 I231 | I90-V224 HydrophobicContact CG2-CG1 4.46Å; I90-V224 VanDerWaalsContact O-CG1 3.24Å; I90-V224 WeakPolarHBondContact O-CG1 3.5Å; I90-A227 HydrophobicContact CD1-CB 3.81Å; I90-N228 PolarHBondContact N-OD1 3Å; I90-N228 PolarHBondContact O-ND2 3.3Å; I90-I231 HydrophobicContact CD1-CD1 3.62Å; I90-I231 HydrophobicContact CG1-CD1 3.81Å |
| 91 | K | 82.4 | Confident | 82.2 | Confident | 174 Ų | 174 | 88.9 Ų | 88.9 | 76% | 0.757 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 151.7 | 173.4 | -65.3 | -178.1 | 179.6 | -179 | 0 | 110.1 | Q89 | Q89-K91 PolarHBondContact O-N 3.08Š|
| 92 | P | 76.5 | Confident | 81.9 | Confident | 65 Ų | 65 | 88.7 Ų | 88.7 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 146.7 | 168.7 | -24 | 34.8 | 0 | 0 | 0 | 111.8 | E94 V224 | P92-E94 PolarHBondContact O-N 2.87Å; P92-V224 HydrophobicContact CG-CG2 4.46Å |
| 93 | V | 74.2 | Confident | 81.8 | Confident | 133 Ų | 133 | 94.2 Ų | 94.2 | 81% | 0.806 | 49% | 0.486 | S | S | * | . | trans | -81 | 84.7 | -179.1 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | L95 | V93-L95 HydrophobicContact CG1-CD2 4.37Å; V93-L95 PolarHBondContact O-N 2.95Å | ||
| 94 | E | 72 | Confident | 81.8 | Confident | 174 Ų | 174 | 97 Ų | 97 | 81% | 0.813 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 116.4 | 171.9 | -69.3 | 177.7 | -158.3 | 0 | 0 | 110.5 | P92 | P92-E94 PolarHBondContact O-N 2.87Š|
| 95 | L | 74.4 | Confident | 81.7 | Confident | 41 Ų | 41 | 100.2 Ų | 100.2 | 22% | 0.215 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 134.1 | 173.9 | -64.7 | 176.7 | 0 | 0 | 0 | 109.7 | V93 E97 K101 K102 K105 | V93-L95 HydrophobicContact CG1-CD2 4.37Å; V93-L95 PolarHBondContact O-N 2.95Å; L95-E97 PolarHBondContact O-N 3.01Å; L95-K101 HydrophobicContact CD1-CG 4.1Å; L95-K101 HydrophobicContact CD2-CD 4.02Å; L95-K101 HydrophobicContact CD2-CG 4.41Å; L95-K102 HydrophobicContact CB-CB 3.88Å; L95-K102 HydrophobicContact CB-CG 4.2Å; L95-K102 HydrophobicContact CD1-CB 4.36Å; L95-K105 HydrophobicContact CD1-CD 4.34Å |
| 96 | P | 79.9 | Confident | 81.8 | Confident | 92 Ų | 92 | 102.5 Ų | 102.5 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -56 | 139.6 | 177.8 | -25.8 | 33.8 | 0 | 0 | 0 | 112.1 | N98 S99 | P96-N98 VanDerWaalsContact C-N 3.3Å; P96-N98 PolarHBondContact O-N 3.25Å; P96-S99 VanDerWaalsContact O-CB 3.24Å; P96-S99 WeakPolarHBondContact O-CB 3.44Å; P96-S99 PolarHBondContact O-N 3.44Å; P96-S99 PolarHBondContact O-OG 3.33Å |
| 97 | E | 70.6 | Confident | 82.2 | Confident | 146 Ų | 146 | 106 Ų | 106 | 68% | 0.682 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -38.4 | -167.5 | -53.3 | -145 | 104.2 | 0 | 0 | 114.1 | L95 S99 K102 | L95-E97 PolarHBondContact O-N 3.01Å; E97-S99 VanDerWaalsContact C-N 3.35Å; E97-K102 IonicContact OE1-NZ 3.81Å; E97-K102 PolarHBondContact OE1-NZ 3.37Å |
| 98 | N | 74.3 | Confident | 82.4 | Confident | 135 Ų | 135 | 103.6 Ų | 103.6 | 72% | 0.722 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 7.9 | 178.5 | -73.4 | -54.2 | 0 | 0 | 0 | 113.9 | P96 R103 | P96-N98 VanDerWaalsContact C-N 3.3Å; P96-N98 PolarHBondContact O-N 3.25Å; N98-R103 PolarHBondContact OD1-NH2 2.81Å |
| 99 | S | 86.2 | Confident | 82.5 | Confident | 30 Ų | 30 | 106.1 Ų | 106.1 | 21% | 0.21 | 53% | 0.533 | C | S | . | . | trans | -72.9 | 136.1 | 177.3 | 70.4 | 0 | 0 | 0 | 0 | 111.7 | P96 E97 K101 K102 R103 | P96-S99 VanDerWaalsContact O-CB 3.24Å; P96-S99 WeakPolarHBondContact O-CB 3.44Å; P96-S99 PolarHBondContact O-N 3.44Å; P96-S99 PolarHBondContact O-OG 3.33Å; E97-S99 VanDerWaalsContact C-N 3.35Å; S99-K101 PolarHBondContact O-N 3.25Å; S99-K102 PolarHBondContact O-N 3.35Å; S99-K102 VanDerWaalsContact O-N 3.1Å; S99-K102 WeakPolarHBondContact OG-CB 3.41Å; S99-K102 PolarHBondContact OG-N 2.96Å; S99-R103 PolarHBondContact O-N 3.19Å | ||
| 100 | L | 84.8 | Confident | 82.7 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 71% | 0.707 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -54.7 | -36.8 | 172.2 | -179.8 | 61.9 | 0 | 0 | 0 | 111.2 | K102 R103 V104 | L100-K102 PolarHBondContact O-N 3.46Å; L100-R103 PolarHBondContact O-N 3.08Å; L100-V104 HydrophobicContact CD1-CG2 4.04Å; L100-V104 HydrophobicContact CG-CG2 4.22Å; L100-V104 WeakPolarHBondContact O-CB 3.44Å; L100-V104 VanDerWaalsContact O-CG2 3.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.17Å; L100-V104 PolarHBondContact O-N 3.21Å |
| 101 | K | 82.9 | Confident | 82.9 | Confident | 153 Ų | 153 | 105.3 Ų | 105.3 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.8 | -39.5 | 177.5 | -168.2 | 176.3 | 178.8 | -179.7 | 0 | 112.9 | L95 S99 K105 | L95-K101 HydrophobicContact CD1-CG 4.1Å; L95-K101 HydrophobicContact CD2-CD 4.02Å; L95-K101 HydrophobicContact CD2-CG 4.41Å; S99-K101 PolarHBondContact O-N 3.25Å; K101-K105 WeakPolarHBondContact O-CB 3.43Å; K101-K105 PolarHBondContact O-N 3.47Å |
| 102 | K | 85.9 | Confident | 83.3 | Confident | 47 Ų | 47 | 100.5 Ų | 100.5 | 20% | 0.204 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.5 | -52.1 | 174.3 | -168.7 | -175 | -176.2 | 174.5 | 0 | 110.3 | L95 E97 S99 L100 V104 K105 E106 | L95-K102 HydrophobicContact CB-CB 3.88Å; L95-K102 HydrophobicContact CB-CG 4.2Å; L95-K102 HydrophobicContact CD1-CB 4.36Å; E97-K102 IonicContact OE1-NZ 3.81Å; E97-K102 PolarHBondContact OE1-NZ 3.37Å; S99-K102 PolarHBondContact O-N 3.35Å; S99-K102 VanDerWaalsContact O-N 3.1Å; S99-K102 WeakPolarHBondContact OG-CB 3.41Å; S99-K102 PolarHBondContact OG-N 2.96Å; L100-K102 PolarHBondContact O-N 3.46Å; K102-V104 PolarHBondContact O-N 2.96Å; K102-K105 WeakPolarHBondContact O-CB 3.31Å; K102-K105 PolarHBondContact O-N 3.06Å; K102-K105 VanDerWaalsContact O-N 3.1Å; K102-E106 WeakPolarHBondContact CE-OE1 3.44Å; K102-E106 HydrophobicContact CG-CG 4.43Å; K102-E106 WeakPolarHBondContact CG-OE1 3.4Å; K102-E106 WeakPolarHBondContact O-CG 3.35Å; K102-E106 PolarHBondContact O-N 3.45Å |
| 103 | R | 85.4 | Confident | 84 | Confident | 129 Ų | 129 | 99 Ų | 99 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | -179.3 | -62.6 | -175.7 | -175.6 | -173 | 2.5 | 112.8 | N98 S99 L100 E106 I107 | N98-R103 PolarHBondContact OD1-NH2 2.81Å; S99-R103 PolarHBondContact O-N 3.19Å; L100-R103 PolarHBondContact O-N 3.08Å; R103-E106 PolarHBondContact O-N 3.02Å; R103-I107 WeakPolarHBondContact O-CB 3.41Å; R103-I107 WeakPolarHBondContact O-CD1 3.49Å; R103-I107 VanDerWaalsContact O-CG1 3.24Å; R103-I107 WeakPolarHBondContact O-CG1 3.35Å; R103-I107 PolarHBondContact O-N 3.38Å |
| 104 | V | 88.1 | Confident | 84.8 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L100 K102 E106 I107 V108 | L100-V104 HydrophobicContact CD1-CG2 4.04Å; L100-V104 HydrophobicContact CG-CG2 4.22Å; L100-V104 WeakPolarHBondContact O-CB 3.44Å; L100-V104 VanDerWaalsContact O-CG2 3.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.17Å; L100-V104 PolarHBondContact O-N 3.21Å; K102-V104 PolarHBondContact O-N 2.96Å; V104-E106 PolarHBondContact O-N 3.22Å; V104-I107 PolarHBondContact O-N 3.07Å; V104-V108 HydrophobicContact CG1-CG2 4.47Å; V104-V108 WeakPolarHBondContact O-CB 3.39Å; V104-V108 WeakPolarHBondContact O-CG2 3.48Å; V104-V108 PolarHBondContact O-N 3.5Å |
| 105 | K | 86.1 | Confident | 85.6 | Confident | 102 Ų | 102 | 91 Ų | 91 | 44% | 0.443 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 174.3 | -173.9 | -177.5 | 178.9 | -175.3 | 0 | 111 | L95 K101 K102 I107 V108 H109 | L95-K105 HydrophobicContact CD1-CD 4.34Å; K101-K105 WeakPolarHBondContact O-CB 3.43Å; K101-K105 PolarHBondContact O-N 3.47Å; K102-K105 WeakPolarHBondContact O-CB 3.31Å; K102-K105 PolarHBondContact O-N 3.06Å; K102-K105 VanDerWaalsContact O-N 3.1Å; K105-I107 PolarHBondContact O-N 2.88Å; K105-V108 PolarHBondContact O-N 3.38Å; K105-H109 VanDerWaalsContact CE-CE1 3.49Å; K105-H109 WeakPolarHBondContact CE-CE1 3.34Å; K105-H109 WeakPolarHBondContact CE-NE2 3.32Å; K105-H109 VanDerWaalsContact CG-CD2 3.48Å; K105-H109 WeakPolarHBondContact CG-CD2 3.36Å; K105-H109 WeakPolarHBondContact CG-NE2 3.3Å; K105-H109 WeakPolarHBondContact O-CB 3.49Å; K105-H109 PolarHBondContact O-CD2 3.49Å; K105-H109 PolarHBondContact O-N 3.1Å |
| 106 | E | 87.9 | Confident | 86.4 | Confident | 99 Ų | 99 | 89 Ų | 89 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | -179.5 | -71.8 | 166.6 | 162.5 | 0 | 0 | 112.6 | K102 R103 V104 K110 | K102-E106 WeakPolarHBondContact CE-OE1 3.44Å; K102-E106 HydrophobicContact CG-CG 4.43Å; K102-E106 WeakPolarHBondContact CG-OE1 3.4Å; K102-E106 WeakPolarHBondContact O-CG 3.35Å; K102-E106 PolarHBondContact O-N 3.45Å; R103-E106 PolarHBondContact O-N 3.02Å; V104-E106 PolarHBondContact O-N 3.22Å; E106-K110 VanDerWaalsContact O-CB 3.32Å; E106-K110 WeakPolarHBondContact O-CB 3.45Å; E106-K110 PolarHBondContact O-N 3.1Å |
| 107 | I | 90.1 | Very high | 86.9 | Confident | 117 Ų | 117 | 87.3 Ų | 87.3 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.6 | -45.5 | 177.1 | -69.6 | 164.5 | 0 | 0 | 0 | 111.1 | R103 V104 K105 K110 A111 | R103-I107 WeakPolarHBondContact O-CB 3.41Å; R103-I107 WeakPolarHBondContact O-CD1 3.49Å; R103-I107 VanDerWaalsContact O-CG1 3.24Å; R103-I107 WeakPolarHBondContact O-CG1 3.35Å; R103-I107 PolarHBondContact O-N 3.38Å; V104-I107 PolarHBondContact O-N 3.07Å; K105-I107 PolarHBondContact O-N 2.88Å; I107-K110 PolarHBondContact O-N 3.25Å; I107-A111 WeakPolarHBondContact O-CB 3.24Å; I107-A111 PolarHBondContact O-N 2.95Å |
| 108 | V | 89.4 | Confident | 87.8 | Confident | 92 Ų | 92 | 82.8 Ų | 82.8 | 56% | 0.558 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.3 | -45.8 | 179.3 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V104 K105 K110 A111 F112 | V104-V108 HydrophobicContact CG1-CG2 4.47Å; V104-V108 WeakPolarHBondContact O-CB 3.39Å; V104-V108 WeakPolarHBondContact O-CG2 3.48Å; V104-V108 PolarHBondContact O-N 3.5Å; K105-V108 PolarHBondContact O-N 3.38Å; V108-K110 VanDerWaalsContact C-N 3.33Å; V108-K110 PolarHBondContact O-N 3.44Å; V108-A111 PolarHBondContact O-N 3.04Å; V108-F112 PolarHBondContact O-N 3.16Å |
| 109 | H | 88.3 | Confident | 88.4 | Confident | 90 Ų | 90 | 77.7 Ų | 77.7 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.6 | -80.6 | -121.1 | 0 | 0 | 0 | 111.4 | K105 F112 W113 | K105-H109 VanDerWaalsContact CE-CE1 3.49Å; K105-H109 WeakPolarHBondContact CE-CE1 3.34Å; K105-H109 WeakPolarHBondContact CE-NE2 3.32Å; K105-H109 VanDerWaalsContact CG-CD2 3.48Å; K105-H109 WeakPolarHBondContact CG-CD2 3.36Å; K105-H109 WeakPolarHBondContact CG-NE2 3.3Å; K105-H109 WeakPolarHBondContact O-CB 3.49Å; K105-H109 PolarHBondContact O-CD2 3.49Å; K105-H109 PolarHBondContact O-N 3.1Å; H109-F112 PolarHBondContact O-N 3.24Å; H109-W113 PolarHBondContact O-N 3.41Å; H109-W113 VanDerWaalsContact O-N 3.16Å |
| 110 | K | 90.8 | Very high | 88.4 | Confident | 126 Ų | 126 | 77.8 Ų | 77.8 | 55% | 0.548 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.3 | -49.8 | 176.4 | -166 | -166.4 | 177.8 | -101.9 | 0 | 111.4 | E106 I107 V108 F112 W113 D114 | E106-K110 VanDerWaalsContact O-CB 3.32Å; E106-K110 WeakPolarHBondContact O-CB 3.45Å; E106-K110 PolarHBondContact O-N 3.1Å; I107-K110 PolarHBondContact O-N 3.25Å; V108-K110 VanDerWaalsContact C-N 3.33Å; V108-K110 PolarHBondContact O-N 3.44Å; K110-F112 PolarHBondContact O-N 3.42Å; K110-W113 PolarHBondContact O-N 2.88Å; K110-W113 VanDerWaalsContact O-N 3.1Å; K110-D114 WeakPolarHBondContact CE-OD2 3.32Å; K110-D114 IonicContact NZ-OD1 3.81Å; K110-D114 PolarHBondContact NZ-OD1 2.95Å; K110-D114 IonicContact NZ-OD2 2.92Å; K110-D114 PolarHBondContact NZ-OD2 2.93Å; K110-D114 WeakPolarHBondContact O-CB 3.47Å; K110-D114 VanDerWaalsContact O-CG 3.25Å; K110-D114 PolarHBondContact O-N 3.35Å |
| 111 | A | 89.8 | Confident | 88.5 | Confident | 56 Ų | 56 | 76 Ų | 76 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.5 | -34.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I107 V108 C115 | I107-A111 WeakPolarHBondContact O-CB 3.24Å; I107-A111 PolarHBondContact O-N 2.95Å; V108-A111 PolarHBondContact O-N 3.04Å; A111-C115 VanDerWaalsContact O-CB 3.25Å; A111-C115 WeakPolarHBondContact O-CB 3.41Å; A111-C115 PolarHBondContact O-N 3.47Å |
| 112 | F | 91.1 | Very high | 88.8 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 32% | 0.316 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -50.5 | 172.3 | 177 | -92.2 | 0 | 0 | 0 | 112.6 | V108 H109 K110 C115 L116 L133 | V108-F112 PolarHBondContact O-N 3.16Å; H109-F112 PolarHBondContact O-N 3.24Å; K110-F112 PolarHBondContact O-N 3.42Å; F112-C115 WeakPolarHBondContact O-CB 3.37Å; F112-C115 PolarHBondContact O-N 3.07Å; F112-L116 PolarHBondContact O-N 3.37Å; F112-L133 HydrophobicContact CE1-CD1 3.98Å; F112-L133 HydrophobicContact CE1-CD2 3.87Å; F112-L133 HydrophobicContact CE1-CG 4.28Å; F112-L133 HydrophobicContact CZ-CD1 3.98Å; F112-L133 HydrophobicContact CZ-CD2 3.77Å; F112-L133 HydrophobicContact CZ-CG 3.95Å |
| 113 | W | 92.1 | Very high | 88.5 | Confident | 34 Ų | 34 | 79 Ų | 79 | 13% | 0.129 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 178.9 | -64 | 122.6 | 0 | 0 | 0 | 112.9 | H109 K110 C115 L116 S117 L133 V209 F212 R213 F216 | H109-W113 PolarHBondContact O-N 3.41Å; H109-W113 VanDerWaalsContact O-N 3.16Å; K110-W113 PolarHBondContact O-N 2.88Å; K110-W113 VanDerWaalsContact O-N 3.1Å; W113-C115 VanDerWaalsContact C-N 3.3Å; W113-C115 PolarHBondContact O-N 3.39Å; W113-L116 HydrophobicContact CE3-CD2 3.75Å; W113-L116 HydrophobicContact CZ3-CD2 3.71Å; W113-L116 PolarHBondContact O-N 3.07Å; W113-S117 WeakPolarHBondContact O-CB 3.44Å; W113-S117 PolarHBondContact O-N 2.96Å; W113-L133 HydrophobicContact CH2-CD1 4.18Å; W113-L133 HydrophobicContact CH2-CD2 4.24Å; W113-L133 HydrophobicContact CZ3-CD1 3.75Å; W113-V209 HydrophobicContact CB-CG1 4.11Å; W113-V209 HydrophobicContact CD2-CG1 4.45Å; W113-V209 HydrophobicContact CE3-CG1 3.92Å; W113-F212 HydrophobicContact CH2-CB 4.04Å; W113-F212 HydrophobicContact CZ3-CB 3.89Å; W113-R213 HydrophobicContact CD2-CB 4.37Å; W113-R213 HydrophobicContact CH2-CB 4.19Å; W113-R213 HydrophobicContact CZ2-CB 3.84Å; W113-R213 HydrophobicContact CZ2-CG 4.2Å; W113-F216 HydrophobicContact CH2-CD2 4.5Å |
| 114 | D | 90.7 | Very high | 88.2 | Confident | 79 Ų | 79 | 78 Ų | 78 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 172.2 | -69.5 | -16.5 | 0 | 0 | 0 | 110.3 | K110 S117 A118 | K110-D114 WeakPolarHBondContact CE-OD2 3.32Å; K110-D114 IonicContact NZ-OD1 3.81Å; K110-D114 PolarHBondContact NZ-OD1 2.95Å; K110-D114 IonicContact NZ-OD2 2.92Å; K110-D114 PolarHBondContact NZ-OD2 2.93Å; K110-D114 WeakPolarHBondContact O-CB 3.47Å; K110-D114 VanDerWaalsContact O-CG 3.25Å; K110-D114 PolarHBondContact O-N 3.35Å; D114-S117 PolarHBondContact O-N 2.73Å; D114-A118 PolarHBondContact O-N 3.33Å |
| 115 | C | 88.8 | Confident | 88 | Confident | 59 Ų | 59 | 76.7 Ų | 76.7 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.6 | -42.9 | 177 | -179.3 | 0 | 0 | 0 | 0 | 113.2 | A111 F112 W113 S117 A118 Q119 | A111-C115 VanDerWaalsContact O-CB 3.25Å; A111-C115 WeakPolarHBondContact O-CB 3.41Å; A111-C115 PolarHBondContact O-N 3.47Å; F112-C115 WeakPolarHBondContact O-CB 3.37Å; F112-C115 PolarHBondContact O-N 3.07Å; W113-C115 VanDerWaalsContact C-N 3.3Å; W113-C115 PolarHBondContact O-N 3.39Å; C115-S117 VanDerWaalsContact C-N 3.3Å; C115-S117 PolarHBondContact O-N 2.88Å; C115-A118 PolarHBondContact O-N 3.37Å; C115-Q119 PolarHBondContact O-N 2.81Å |
| 116 | L | 90.2 | Very high | 88 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 173.8 | -179 | 68.5 | 0 | 0 | 0 | 111.5 | F112 W113 A118 Q119 L120 H129 A130 L133 V209 | F112-L116 PolarHBondContact O-N 3.37Å; W113-L116 HydrophobicContact CE3-CD2 3.75Å; W113-L116 HydrophobicContact CZ3-CD2 3.71Å; W113-L116 PolarHBondContact O-N 3.07Å; L116-A118 VanDerWaalsContact C-N 3.35Å; L116-Q119 PolarHBondContact O-N 3.46Å; L116-L120 HydrophobicContact CD1-CD1 4.16Å; L116-L120 HydrophobicContact CD1-CG 4.37Å; L116-L120 HydrophobicContact CG-CD1 4Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 3.22Å; L116-H129 HydrophobicContact CD1-CB 3.72Å; L116-A130 HydrophobicContact CD1-CB 4.29Å; L116-L133 HydrophobicContact CD2-CD1 3.66Å; L116-V209 HydrophobicContact CD2-CG1 4.47Å; L116-V209 HydrophobicContact CD2-CG2 4.02Å; L116-V209 HydrophobicContact CG-CG2 4.06Å |
| 117 | S | 90.4 | Very high | 87.9 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 176.7 | -165.1 | 0 | 0 | 0 | 0 | 112.2 | W113 D114 C115 S121 | W113-S117 WeakPolarHBondContact O-CB 3.44Å; W113-S117 PolarHBondContact O-N 2.96Å; D114-S117 PolarHBondContact O-N 2.73Å; C115-S117 VanDerWaalsContact C-N 3.3Å; C115-S117 PolarHBondContact O-N 2.88Å; S117-S121 WeakPolarHBondContact O-CB 3.43Å; S117-S121 PolarHBondContact O-N 3.42Å; S117-S121 PolarHBondContact O-OG 2.93Å |
| 118 | A | 89.9 | Confident | 87.7 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.5 | -50.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D114 C115 L116 L120 S121 E122 | D114-A118 PolarHBondContact O-N 3.33Å; C115-A118 PolarHBondContact O-N 3.37Å; L116-A118 VanDerWaalsContact C-N 3.35Å; A118-L120 VanDerWaalsContact C-N 3.35Å; A118-L120 PolarHBondContact O-N 3.24Å; A118-S121 CarbonylContact O-C 3.26Å; A118-S121 WeakPolarHBondContact O-CA 3.5Å; A118-S121 WeakPolarHBondContact O-CB 3.44Å; A118-S121 PolarHBondContact O-N 2.7Å; A118-E122 PolarHBondContact O-N 2.78Å |
| 119 | Q | 87.8 | Confident | 87.6 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | -179.6 | -76 | -157.8 | -50.5 | 0 | 0 | 113.8 | C115 L116 S121 E122 A126 H129 | C115-Q119 PolarHBondContact O-N 2.81Å; L116-Q119 PolarHBondContact O-N 3.46Å; Q119-S121 PolarHBondContact O-N 3.15Å; Q119-E122 PolarHBondContact O-N 2.97Å; Q119-A126 HydrophobicContact CB-CB 4.03Å; Q119-A126 WeakPolarHBondContact CB-O 3.4Å; Q119-A126 HydrophobicContact CG-CB 4.22Å; Q119-A126 PolarHBondContact O-N 3.37Å; Q119-H129 PolarHBondContact OE1-ND1 2.59Å |
| 120 | L | 86.5 | Confident | 87.6 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -6.7 | 175.7 | -66.7 | 173.7 | 0 | 0 | 0 | 113.4 | L116 A118 Y127 I208 V209 | L116-L120 HydrophobicContact CD1-CD1 4.16Å; L116-L120 HydrophobicContact CD1-CG 4.37Å; L116-L120 HydrophobicContact CG-CD1 4Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 3.22Å; A118-L120 VanDerWaalsContact C-N 3.35Å; A118-L120 PolarHBondContact O-N 3.24Å; L120-Y127 HydrophobicContact CD2-CD1 3.74Å; L120-Y127 HydrophobicContact CD2-CE1 3.76Å; L120-I208 HydrophobicContact CD1-CB 4.24Å; L120-I208 HydrophobicContact CD1-CG2 3.71Å; L120-V209 HydrophobicContact CD1-CG2 3.87Å |
| 121 | S | 87 | Confident | 87.6 | Confident | 97 Ų | 97 | 58.1 Ų | 58.1 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 2.6 | 176.4 | -53.2 | 0 | 0 | 0 | 0 | 113.3 | S117 A118 Q119 | S117-S121 WeakPolarHBondContact O-CB 3.43Å; S117-S121 PolarHBondContact O-N 3.42Å; S117-S121 PolarHBondContact O-OG 2.93Å; A118-S121 CarbonylContact O-C 3.26Å; A118-S121 WeakPolarHBondContact O-CA 3.5Å; A118-S121 WeakPolarHBondContact O-CB 3.44Å; A118-S121 PolarHBondContact O-N 2.7Å; Q119-S121 PolarHBondContact O-N 3.15Å |
| 122 | E | 88.3 | Confident | 87.7 | Confident | 98 Ų | 98 | 60.8 Ų | 60.8 | 46% | 0.458 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -75 | 159.4 | 172.6 | -71.6 | 169.1 | -157.8 | 0 | 0 | 110.9 | A118 Q119 P124 P125 | A118-E122 PolarHBondContact O-N 2.78Å; Q119-E122 PolarHBondContact O-N 2.97Å; E122-P124 CarbonylContact C-O 3.46Å; E122-P124 CarbonylContact O-C 3.07Å; E122-P124 VanDerWaalsContact O-C 3.26Å; E122-P125 VanDerWaalsContact O-CA 3.29Å; E122-P125 WeakPolarHBondContact O-CA 3.48Å; E122-P125 WeakPolarHBondContact O-CD 3.5Å; E122-P125 WeakPolarHBondContact O-CG 3.44Å; E122-P125 VanDerWaalsContact O-N 3.1Å |
| 123 | D | 80.6 | Confident | 87.7 | Confident | 165 Ų | 165 | 57.6 Ų | 57.6 | 88% | 0.882 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -126.5 | 105.3 | 177.1 | -175.7 | 18.6 | 0 | 0 | 0 | 109.8 | ||
| 124 | P | 78.3 | Confident | 87.8 | Confident | 107 Ų | 107 | 56.1 Ų | 56.1 | 70% | 0.695 | 32% | 0.32 | S | S | * | . | S | Bend | cis | -70.9 | 156.3 | -2.8 | 31.7 | -36.4 | 0 | 0 | 0 | 112.9 | E122 | E122-P124 CarbonylContact C-O 3.46Å; E122-P124 CarbonylContact O-C 3.07Å; E122-P124 VanDerWaalsContact O-C 3.26Å |
| 125 | P | 83.5 | Confident | 87.9 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 141.7 | -178.1 | -20.5 | 32.2 | 0 | 0 | 0 | 113.7 | E122 Y127 | E122-P125 VanDerWaalsContact O-CA 3.29Å; E122-P125 WeakPolarHBondContact O-CA 3.48Å; E122-P125 WeakPolarHBondContact O-CD 3.5Å; E122-P125 WeakPolarHBondContact O-CG 3.44Å; E122-P125 VanDerWaalsContact O-N 3.1Å; P125-Y127 HydrophobicContact CB-CE1 4.45Å; P125-Y127 HydrophobicContact CB-CE2 4.08Å |
| 126 | A | 85.9 | Confident | 88.2 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 125.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q119 | Q119-A126 HydrophobicContact CB-CB 4.03Å; Q119-A126 WeakPolarHBondContact CB-O 3.4Å; Q119-A126 HydrophobicContact CG-CB 4.22Å; Q119-A126 PolarHBondContact O-N 3.37Å |
| 127 | Y | 86.3 | Confident | 88.4 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | trans | -103.7 | 0.8 | -173.8 | -64.4 | -74.4 | 0 | 0 | 0 | 114.9 | L120 P125 H129 A130 I131 A169 L174 I176 | L120-Y127 HydrophobicContact CD2-CD1 3.74Å; L120-Y127 HydrophobicContact CD2-CE1 3.76Å; P125-Y127 HydrophobicContact CB-CE1 4.45Å; P125-Y127 HydrophobicContact CB-CE2 4.08Å; Y127-H129 VanDerWaalsContact C-N 3.33Å; Y127-H129 PolarHBondContact O-N 3.5Å; Y127-H129 VanDerWaalsContact O-N 3.17Å; Y127-A130 WeakPolarHBondContact O-CA 3.31Å; Y127-A130 WeakPolarHBondContact O-CB 3.48Å; Y127-A130 PolarHBondContact O-N 3.46Å; Y127-I131 WeakPolarHBondContact O-CG1 3.47Å; Y127-I131 PolarHBondContact O-N 2.85Å; Y127-A169 HydrophobicContact CD2-CB 3.78Å; Y127-A169 HydrophobicContact CG-CB 4.1Å; Y127-L174 HydrophobicContact CD1-CD2 4.36Å; Y127-L174 HydrophobicContact CG-CD2 4.48Å; Y127-I176 HydrophobicContact CD1-CD1 3.9Å; Y127-I176 HydrophobicContact CE1-CD1 3.66Å | ||
| 128 | D | 86.1 | Confident | 88.6 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 47% | 0.465 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52.2 | -42.7 | -171.9 | -73.5 | -48.4 | 0 | 0 | 0 | 114.7 | K132 | D128-K132 VanDerWaalsContact O-CG 3.32Å; D128-K132 WeakPolarHBondContact O-CG 3.44Å; D128-K132 PolarHBondContact O-N 2.96Å |
| 129 | H | 87.3 | Confident | 88.9 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78.5 | -29.4 | 178.1 | -71.7 | 101 | 0 | 0 | 0 | 112.9 | L116 Q119 Y127 K132 L133 | L116-H129 HydrophobicContact CD1-CB 3.72Å; Q119-H129 PolarHBondContact OE1-ND1 2.59Å; Y127-H129 VanDerWaalsContact C-N 3.33Å; Y127-H129 PolarHBondContact O-N 3.5Å; Y127-H129 VanDerWaalsContact O-N 3.17Å; H129-K132 PolarHBondContact NE2-NZ 2.89Å; H129-K132 PolarHBondContact O-N 2.85Å; H129-L133 VanDerWaalsContact O-CG 3.32Å; H129-L133 WeakPolarHBondContact O-CG 3.32Å; H129-L133 PolarHBondContact O-N 3.13Å; H129-L133 VanDerWaalsContact O-N 3.08Å |
| 130 | A | 88.6 | Confident | 89.2 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | L116 Y127 K132 L133 V134 F212 | L116-A130 HydrophobicContact CD1-CB 4.29Å; Y127-A130 WeakPolarHBondContact O-CA 3.31Å; Y127-A130 WeakPolarHBondContact O-CB 3.48Å; Y127-A130 PolarHBondContact O-N 3.46Å; A130-K132 PolarHBondContact O-N 3.2Å; A130-L133 PolarHBondContact O-N 3.25Å; A130-V134 WeakPolarHBondContact O-CG2 3.45Å; A130-V134 PolarHBondContact O-N 2.94Å; A130-F212 HydrophobicContact CB-CE2 4.5Å |
| 131 | I | 90.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 177.6 | -62 | 168.1 | 0 | 0 | 0 | 111 | Y127 V134 G135 L162 I165 K166 A169 | Y127-I131 WeakPolarHBondContact O-CG1 3.47Å; Y127-I131 PolarHBondContact O-N 2.85Å; I131-V134 PolarHBondContact O-N 3.31Å; I131-G135 PolarHBondContact O-N 3.4Å; I131-L162 HydrophobicContact CG2-CD2 4.45Å; I131-I165 HydrophobicContact CG1-CG2 4.2Å; I131-K166 HydrophobicContact CD1-CB 4.1Å; I131-K166 HydrophobicContact CD1-CG 4.2Å; I131-A169 HydrophobicContact CD1-CB 4.3Å |
| 132 | K | 91.1 | Very high | 89.8 | Confident | 112 Ų | 112 | 50.9 Ų | 50.9 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 173.8 | -68 | 166.9 | -161.4 | 168.1 | 0 | 112.1 | D128 H129 A130 V134 G135 E136 | D128-K132 VanDerWaalsContact O-CG 3.32Å; D128-K132 WeakPolarHBondContact O-CG 3.44Å; D128-K132 PolarHBondContact O-N 2.96Å; H129-K132 PolarHBondContact NE2-NZ 2.89Å; H129-K132 PolarHBondContact O-N 2.85Å; A130-K132 PolarHBondContact O-N 3.2Å; K132-V134 VanDerWaalsContact C-N 3.33Å; K132-V134 PolarHBondContact O-N 2.9Å; K132-G135 WeakPolarHBondContact O-CA 3.42Å; K132-G135 PolarHBondContact O-N 3.49Å; K132-G135 VanDerWaalsContact O-N 3.08Å; K132-E136 PolarHBondContact O-N 3.44Å |
| 133 | L | 92.2 | Very high | 90 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 177 | -72.2 | 168.5 | 0 | 0 | 0 | 112.1 | F112 W113 L116 H129 A130 G135 E136 I137 F212 F216 | F112-L133 HydrophobicContact CE1-CD1 3.98Å; F112-L133 HydrophobicContact CE1-CD2 3.87Å; F112-L133 HydrophobicContact CE1-CG 4.28Å; F112-L133 HydrophobicContact CZ-CD1 3.98Å; F112-L133 HydrophobicContact CZ-CD2 3.77Å; F112-L133 HydrophobicContact CZ-CG 3.95Å; W113-L133 HydrophobicContact CH2-CD1 4.18Å; W113-L133 HydrophobicContact CH2-CD2 4.24Å; W113-L133 HydrophobicContact CZ3-CD1 3.75Å; L116-L133 HydrophobicContact CD2-CD1 3.66Å; H129-L133 VanDerWaalsContact O-CG 3.32Å; H129-L133 WeakPolarHBondContact O-CG 3.32Å; H129-L133 PolarHBondContact O-N 3.13Å; H129-L133 VanDerWaalsContact O-N 3.08Å; A130-L133 PolarHBondContact O-N 3.25Å; L133-G135 VanDerWaalsContact C-N 3.31Å; L133-G135 PolarHBondContact O-N 3.15Å; L133-E136 PolarHBondContact O-N 3.31Å; L133-I137 WeakPolarHBondContact O-CB 3.38Å; L133-I137 WeakPolarHBondContact O-CD1 3.36Å; L133-I137 VanDerWaalsContact O-CG1 3.24Å; L133-I137 WeakPolarHBondContact O-CG1 3.25Å; L133-I137 PolarHBondContact O-N 2.66Å; L133-F212 HydrophobicContact CB-CD1 4.37Å; L133-F212 HydrophobicContact CB-CE1 4.46Å; L133-F212 HydrophobicContact CD1-CB 4.47Å; L133-F212 HydrophobicContact CD1-CG 4.39Å; L133-F216 HydrophobicContact CB-CE2 4.06Å; L133-F216 HydrophobicContact CB-CZ 4.33Å; L133-F216 HydrophobicContact CD2-CD2 4.31Å; L133-F216 HydrophobicContact CD2-CE1 4.42Å; L133-F216 HydrophobicContact CD2-CE2 3.5Å; L133-F216 HydrophobicContact CD2-CZ 3.57Å; L133-F216 HydrophobicContact CG-CE2 4.34Å |
| 134 | V | 92.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 173.4 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | A130 I131 K132 I137 K138 L160 L162 I165 L179 F212 | A130-V134 WeakPolarHBondContact O-CG2 3.45Å; A130-V134 PolarHBondContact O-N 2.94Å; I131-V134 PolarHBondContact O-N 3.31Å; K132-V134 VanDerWaalsContact C-N 3.33Å; K132-V134 PolarHBondContact O-N 2.9Å; V134-I137 PolarHBondContact O-N 2.94Å; V134-K138 WeakPolarHBondContact O-CB 3.29Å; V134-K138 PolarHBondContact O-N 3.41Å; V134-L160 HydrophobicContact CG1-CD2 4.24Å; V134-L162 HydrophobicContact CB-CD2 4.4Å; V134-L162 HydrophobicContact CG1-CD2 4Å; V134-I165 HydrophobicContact CG1-CD1 4.02Å; V134-L179 HydrophobicContact CG1-CD2 4.18Å; V134-L179 HydrophobicContact CG2-CD2 3.67Å; V134-F212 HydrophobicContact CG2-CE1 4.04Å; V134-F212 HydrophobicContact CG2-CZ 3.99Å |
| 135 | G | 93.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I131 K132 L133 I137 K138 E139 | I131-G135 PolarHBondContact O-N 3.4Å; K132-G135 WeakPolarHBondContact O-CA 3.42Å; K132-G135 PolarHBondContact O-N 3.49Å; K132-G135 VanDerWaalsContact O-N 3.08Å; L133-G135 VanDerWaalsContact C-N 3.31Å; L133-G135 PolarHBondContact O-N 3.15Å; G135-I137 VanDerWaalsContact C-N 3.32Å; G135-I137 PolarHBondContact O-N 3.06Å; G135-K138 WeakPolarHBondContact O-CB 3.43Å; G135-K138 PolarHBondContact O-N 3Å; G135-E139 PolarHBondContact O-N 3.4Å |
| 136 | E | 94.6 | Very high | 91 | Very high | 107 Ų | 107 | 41.5 Ų | 41.5 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.9 | -36.1 | 175.3 | -74.3 | -179.7 | -137.5 | 0 | 0 | 112.6 | K132 L133 T140 F216 | K132-E136 PolarHBondContact O-N 3.44Å; L133-E136 PolarHBondContact O-N 3.31Å; E136-T140 VanDerWaalsContact O-CB 3.26Å; E136-T140 WeakPolarHBondContact O-CB 3.39Å; E136-T140 PolarHBondContact O-N 3.27Å; E136-T140 PolarHBondContact O-OG1 2.86Å; E136-F216 HydrophobicContact CB-CE1 4.04Å; E136-F216 HydrophobicContact CB-CZ 3.82Å |
| 137 | I | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 171.8 | -70.7 | 163.5 | 0 | 0 | 0 | 110.6 | L133 V134 G135 T140 L141 I183 F212 I215 F216 L219 | L133-I137 WeakPolarHBondContact O-CB 3.38Å; L133-I137 WeakPolarHBondContact O-CD1 3.36Å; L133-I137 VanDerWaalsContact O-CG1 3.24Å; L133-I137 WeakPolarHBondContact O-CG1 3.25Å; L133-I137 PolarHBondContact O-N 2.66Å; V134-I137 PolarHBondContact O-N 2.94Å; G135-I137 VanDerWaalsContact C-N 3.32Å; G135-I137 PolarHBondContact O-N 3.06Å; I137-T140 PolarHBondContact O-N 2.84Å; I137-L141 HydrophobicContact CG2-CD1 3.73Å; I137-L141 HydrophobicContact CG2-CG 4.22Å; I137-L141 WeakPolarHBondContact O-CB 3.33Å; I137-L141 WeakPolarHBondContact O-CG 3.42Å; I137-L141 PolarHBondContact O-N 2.91Å; I137-I183 HydrophobicContact CD1-CD1 4.3Å; I137-I183 HydrophobicContact CG2-CD1 4.04Å; I137-I183 HydrophobicContact CG2-CG1 4.01Å; I137-I183 HydrophobicContact CG2-CG2 3.75Å; I137-F212 HydrophobicContact CD1-CD1 3.8Å; I137-F212 HydrophobicContact CD1-CE1 3.81Å; I137-I215 HydrophobicContact CD1-CG2 3.75Å; I137-I215 HydrophobicContact CG1-CG2 4.15Å; I137-F216 HydrophobicContact CD1-CD2 4.3Å; I137-F216 HydrophobicContact CD1-CE2 3.64Å; I137-F216 HydrophobicContact CD1-CZ 4.31Å; I137-F216 HydrophobicContact CG1-CD2 4.31Å; I137-F216 HydrophobicContact CG1-CE2 3.57Å; I137-F216 HydrophobicContact CG1-CZ 3.79Å; I137-L219 HydrophobicContact CB-CD1 4.39Å; I137-L219 HydrophobicContact CG1-CD1 3.82Å; I137-L219 HydrophobicContact CG2-CD1 4.25Å |
| 138 | K | 94.8 | Very high | 90.7 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 10% | 0.1 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.1 | -55.3 | 177.1 | -176.1 | -175.8 | -163 | 162.8 | 0 | 110.8 | V134 G135 T140 L141 L142 I156 T157 L160 | V134-K138 WeakPolarHBondContact O-CB 3.29Å; V134-K138 PolarHBondContact O-N 3.41Å; G135-K138 WeakPolarHBondContact O-CB 3.43Å; G135-K138 PolarHBondContact O-N 3Å; K138-T140 VanDerWaalsContact C-N 3.32Å; K138-T140 PolarHBondContact O-N 2.89Å; K138-L141 PolarHBondContact O-N 3.3Å; K138-L142 HydrophobicContact CG-CD1 4.04Å; K138-L142 HydrophobicContact CG-CG 4.48Å; K138-L142 WeakPolarHBondContact O-CB 3.32Å; K138-L142 VanDerWaalsContact O-CG 3.25Å; K138-L142 WeakPolarHBondContact O-CG 3.49Å; K138-L142 PolarHBondContact O-N 3.41Å; K138-I156 HydrophobicContact CG-CG2 4.16Å; K138-T157 PolarHBondContact NZ-O 3.07Å; K138-T157 VanDerWaalsContact NZ-O 3.14Å; K138-L160 HydrophobicContact CB-CB 4.16Å; K138-L160 HydrophobicContact CB-CD1 3.83Å; K138-L160 HydrophobicContact CD-CB 4Å; K138-L160 WeakPolarHBondContact CD-O 3.31Å; K138-L160 VanDerWaalsContact CE-O 3.31Å; K138-L160 WeakPolarHBondContact CE-O 3.32Å; K138-L160 HydrophobicContact CG-CB 4Å; K138-L160 HydrophobicContact CG-CD1 4.18Å; K138-L160 PolarHBondContact NZ-O 3.17Å |
| 139 | E | 95.4 | Very high | 90.8 | Very high | 121 Ų | 121 | 46.1 Ų | 46.1 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.4 | -36.6 | 180 | -65.8 | -50.8 | 123.7 | 0 | 0 | 112.2 | G135 L142 S143 | G135-E139 PolarHBondContact O-N 3.4Å; E139-L142 PolarHBondContact O-N 2.74Å; E139-S143 WeakPolarHBondContact O-CB 3.26Å; E139-S143 PolarHBondContact O-N 2.98Å |
| 140 | T | 94 | Very high | 90.9 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -50.5 | 173.7 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | E136 I137 K138 L142 S143 F144 L219 K223 | E136-T140 VanDerWaalsContact O-CB 3.26Å; E136-T140 WeakPolarHBondContact O-CB 3.39Å; E136-T140 PolarHBondContact O-N 3.27Å; E136-T140 PolarHBondContact O-OG1 2.86Å; I137-T140 PolarHBondContact O-N 2.84Å; K138-T140 VanDerWaalsContact C-N 3.32Å; K138-T140 PolarHBondContact O-N 2.89Å; T140-L142 VanDerWaalsContact C-N 3.33Å; T140-L142 PolarHBondContact O-N 3.42Å; T140-S143 WeakPolarHBondContact O-CB 3.47Å; T140-S143 PolarHBondContact O-N 2.69Å; T140-S143 VanDerWaalsContact O-N 3.13Å; T140-S143 PolarHBondContact O-OG 3.17Å; T140-F144 HydrophobicContact CG2-CE1 4.2Å; T140-F144 HydrophobicContact CG2-CE2 3.94Å; T140-F144 HydrophobicContact CG2-CZ 3.55Å; T140-F144 PolarHBondContact O-N 3.37Å; T140-L219 HydrophobicContact CG2-CB 4.2Å; T140-L219 HydrophobicContact CG2-CD1 4.35Å; T140-L219 HydrophobicContact CG2-CD2 4.04Å; T140-L219 HydrophobicContact CG2-CG 4.43Å; T140-K223 HydrophobicContact CG2-CG 4.46Å |
| 141 | L | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 178.2 | -67.4 | 170.9 | 0 | 0 | 0 | 111.8 | I137 K138 S143 F144 I156 L160 M186 M187 L190 L219 | I137-L141 HydrophobicContact CG2-CD1 3.73Å; I137-L141 HydrophobicContact CG2-CG 4.22Å; I137-L141 WeakPolarHBondContact O-CB 3.33Å; I137-L141 WeakPolarHBondContact O-CG 3.42Å; I137-L141 PolarHBondContact O-N 2.91Å; K138-L141 PolarHBondContact O-N 3.3Å; L141-S143 VanDerWaalsContact C-N 3.28Å; L141-S143 PolarHBondContact O-N 2.91Å; L141-F144 HydrophobicContact CD2-CD2 4.44Å; L141-F144 HydrophobicContact CD2-CE2 4.47Å; L141-F144 PolarHBondContact O-N 3.23Å; L141-I156 HydrophobicContact CB-CD1 4.09Å; L141-L160 HydrophobicContact CD1-CD1 4.36Å; L141-M186 HydrophobicContact CD1-CB 4.35Å; L141-M186 HydrophobicContact CD1-CG 4.19Å; L141-M186 HydrophobicContact CD2-CG 4.35Å; L141-M187 HydrophobicContact CD2-CG 3.94Å; L141-L190 HydrophobicContact CD2-CD1 4.21Å; L141-L219 HydrophobicContact CD2-CD2 3.93Å |
| 142 | L | 93.3 | Very high | 91.1 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.9 | -24.3 | 175 | -71.5 | -176.8 | 0 | 0 | 0 | 113.4 | K138 E139 T140 L145 R153 I156 | K138-L142 HydrophobicContact CG-CD1 4.04Å; K138-L142 HydrophobicContact CG-CG 4.48Å; K138-L142 WeakPolarHBondContact O-CB 3.32Å; K138-L142 VanDerWaalsContact O-CG 3.25Å; K138-L142 WeakPolarHBondContact O-CG 3.49Å; K138-L142 PolarHBondContact O-N 3.41Å; E139-L142 PolarHBondContact O-N 2.74Å; T140-L142 VanDerWaalsContact C-N 3.33Å; T140-L142 PolarHBondContact O-N 3.42Å; L142-L145 HydrophobicContact CD2-CD1 4.16Å; L142-L145 PolarHBondContact O-N 2.71Å; L142-R153 HydrophobicContact CD2-CB 4.41Å; L142-R153 HydrophobicContact CD2-CG 3.99Å; L142-R153 PolarHBondContact O-NH2 3.45Å; L142-I156 HydrophobicContact CD2-CB 3.95Å; L142-I156 HydrophobicContact CD2-CD1 4.19Å; L142-I156 HydrophobicContact CD2-CG2 3.78Å; L142-I156 HydrophobicContact CG-CG2 3.93Å |
| 143 | S | 91.9 | Very high | 91.2 | Very high | 85 Ų | 85 | 56.3 Ų | 56.3 | 59% | 0.594 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -73.1 | -27.4 | 175.5 | 80.9 | 0 | 0 | 0 | 0 | 113.2 | E139 T140 L141 L145 | E139-S143 WeakPolarHBondContact O-CB 3.26Å; E139-S143 PolarHBondContact O-N 2.98Å; T140-S143 WeakPolarHBondContact O-CB 3.47Å; T140-S143 PolarHBondContact O-N 2.69Å; T140-S143 VanDerWaalsContact O-N 3.13Å; T140-S143 PolarHBondContact O-OG 3.17Å; L141-S143 VanDerWaalsContact C-N 3.28Å; L141-S143 PolarHBondContact O-N 2.91Å; S143-L145 VanDerWaalsContact C-N 3.26Å; S143-L145 PolarHBondContact O-N 3.18Å |
| 144 | F | 90.5 | Very high | 91.3 | Very high | 22 Ų | 22 | 61 Ų | 61 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.4 | 175.6 | -55.1 | -29 | 0 | 0 | 0 | 113 | T140 L141 L146 L190 L219 M222 K223 M226 | T140-F144 HydrophobicContact CG2-CE1 4.2Å; T140-F144 HydrophobicContact CG2-CE2 3.94Å; T140-F144 HydrophobicContact CG2-CZ 3.55Å; T140-F144 PolarHBondContact O-N 3.37Å; L141-F144 HydrophobicContact CD2-CD2 4.44Å; L141-F144 HydrophobicContact CD2-CE2 4.47Å; L141-F144 PolarHBondContact O-N 3.23Å; F144-L146 PolarHBondContact O-N 3.1Å; F144-L190 HydrophobicContact CD2-CD1 4.49Å; F144-L219 HydrophobicContact CE2-CD2 3.94Å; F144-L219 HydrophobicContact CZ-CD2 4.46Å; F144-M222 HydrophobicContact CD2-CE 4Å; F144-M222 HydrophobicContact CE2-CB 3.91Å; F144-M222 HydrophobicContact CE2-CE 3.73Å; F144-M222 HydrophobicContact CE2-SD 4.46Å; F144-M222 HydrophobicContact CZ-CB 3.76Å; F144-K223 HydrophobicContact CE1-CB 4.4Å; F144-K223 HydrophobicContact CE1-CG 3.75Å; F144-K223 HydrophobicContact CZ-CG 3.92Å; F144-M226 HydrophobicContact CB-CG 4.47Å; F144-M226 HydrophobicContact CB-SD 3.97Å; F144-M226 HydrophobicContact CD1-CB 4.28Å; F144-M226 HydrophobicContact CD1-CG 3.83Å; F144-M226 HydrophobicContact CD1-SD 4.42Å; F144-M226 HydrophobicContact CE1-CG 4.27Å; F144-M226 HydrophobicContact CG-CG 4.15Å; F144-M226 HydrophobicContact CG-SD 4.3Å |
| 145 | L | 88.9 | Confident | 91.3 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | trans | -89.1 | 108 | -175 | -67 | -169.6 | 0 | 0 | 0 | 113.2 | L142 S143 H149 L152 R153 I156 L190 | L142-L145 HydrophobicContact CD2-CD1 4.16Å; L142-L145 PolarHBondContact O-N 2.71Å; S143-L145 VanDerWaalsContact C-N 3.26Å; S143-L145 PolarHBondContact O-N 3.18Å; L145-H149 HydrophobicContact CB-CB 4.16Å; L145-H149 HydrophobicContact CD1-CB 4.48Å; L145-H149 HydrophobicContact CD2-CB 3.96Å; L145-H149 HydrophobicContact CG-CB 4.43Å; L145-L152 HydrophobicContact CD1-CB 3.85Å; L145-L152 HydrophobicContact CD2-CB 4.02Å; L145-L152 HydrophobicContact CD2-CD1 4.07Å; L145-R153 VanDerWaalsContact CD1-CA 3.5Å; L145-R153 HydrophobicContact CD1-CB 3.81Å; L145-R153 VanDerWaalsContact CD1-N 3.3Å; L145-R153 PolarHBondContact O-NH2 3.3Å; L145-I156 HydrophobicContact CD1-CD1 3.84Å; L145-I156 HydrophobicContact CG-CD1 4.49Å; L145-L190 HydrophobicContact CD2-CD1 4.17Å; L145-L190 HydrophobicContact CD2-CD2 3.67Å | ||
| 146 | L | 84.4 | Confident | 91.3 | Very high | 108 Ų | 108 | 64.1 Ų | 64.1 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | trans | -48.6 | 150.5 | 165.1 | -69.6 | 170.4 | 0 | 0 | 0 | 111.9 | F144 G148 H149 | F144-L146 PolarHBondContact O-N 3.1Å; L146-G148 PolarHBondContact O-N 3.4Å; L146-H149 WeakPolarHBondContact O-CB 3.24Å; L146-H149 PolarHBondContact O-N 3.47Å | ||
| 147 | P | 81.6 | Confident | 91.2 | Very high | 120 Ų | 120 | 62 Ų | 62 | 78% | 0.779 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.5 | -175.8 | -29.2 | 36 | 0 | 0 | 0 | 115.6 | H149 | P147-H149 VanDerWaalsContact C-N 3.33Å; P147-H149 PolarHBondContact O-N 2.86Å |
| 148 | G | 83.8 | Confident | 91.1 | Very high | 64 Ų | 64 | 68.9 Ų | 68.9 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -12.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L146 T150 | L146-G148 PolarHBondContact O-N 3.4Å; G148-T150 PolarHBondContact O-N 3.05Å |
| 149 | H | 88.5 | Confident | 91 | Very high | 76 Ų | 76 | 70.8 Ų | 70.8 | 35% | 0.352 | 38% | 0.379 | S | S | . | . | trans | -82.8 | 42.2 | -173.8 | -64 | -177.4 | 0 | 0 | 0 | 113.2 | L145 L146 P147 R151 L152 R153 | L145-H149 HydrophobicContact CB-CB 4.16Å; L145-H149 HydrophobicContact CD1-CB 4.48Å; L145-H149 HydrophobicContact CD2-CB 3.96Å; L145-H149 HydrophobicContact CG-CB 4.43Å; L146-H149 WeakPolarHBondContact O-CB 3.24Å; L146-H149 PolarHBondContact O-N 3.47Å; P147-H149 VanDerWaalsContact C-N 3.33Å; P147-H149 PolarHBondContact O-N 2.86Å; H149-R151 VanDerWaalsContact C-N 3.33Å; H149-R151 PolarHBondContact O-N 2.92Å; H149-L152 PolarHBondContact O-N 3.36Å; H149-R153 PolarHBondContact O-N 3.05Å | ||
| 150 | T | 90.6 | Very high | 90.8 | Very high | 90 Ų | 90 | 65 Ų | 65 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -55.9 | -41.1 | -173.7 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | G148 L152 R153 N154 | G148-T150 PolarHBondContact O-N 3.05Å; T150-L152 PolarHBondContact O-N 3.42Å; T150-R153 PolarHBondContact O-N 3.35Å; T150-N154 VanDerWaalsContact O-CG 3.26Å; T150-N154 PolarHBondContact O-N 3.36Å; T150-N154 PolarHBondContact O-OD1 3.5Å |
| 151 | R | 92.2 | Very high | 90.8 | Very high | 196 Ų | 196 | 67.4 Ų | 67.4 | 74% | 0.74 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 178.1 | -167.3 | -173.1 | 75.4 | 179 | 2 | 112.6 | H149 Q155 | H149-R151 VanDerWaalsContact C-N 3.33Å; H149-R151 PolarHBondContact O-N 2.92Å; R151-Q155 WeakPolarHBondContact O-CB 3.46Å; R151-Q155 PolarHBondContact O-N 3.4Å; R151-Q155 VanDerWaalsContact O-N 3.08Å |
| 152 | L | 91 | Very high | 90.7 | Very high | 29 Ų | 29 | 70.2 Ų | 70.2 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 178.9 | -65.8 | 172.9 | 0 | 0 | 0 | 110.9 | L145 H149 T150 N154 Q155 I156 M186 L190 | L145-L152 HydrophobicContact CD1-CB 3.85Å; L145-L152 HydrophobicContact CD2-CB 4.02Å; L145-L152 HydrophobicContact CD2-CD1 4.07Å; H149-L152 PolarHBondContact O-N 3.36Å; T150-L152 PolarHBondContact O-N 3.42Å; L152-N154 VanDerWaalsContact C-N 3.33Å; L152-N154 PolarHBondContact O-N 3.21Å; L152-Q155 PolarHBondContact O-N 2.97Å; L152-I156 VanDerWaalsContact O-CG1 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.14Å; L152-I156 PolarHBondContact O-N 3.25Å; L152-M186 HydrophobicContact CD2-CE 4.42Å; L152-M186 HydrophobicContact CD2-SD 4.2Å; L152-L190 HydrophobicContact CD1-CD2 4.25Å |
| 153 | R | 93.3 | Very high | 90.7 | Very high | 84 Ų | 84 | 75.1 Ų | 75.1 | 32% | 0.317 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 175.7 | -179.3 | 166.3 | -64.7 | -79.1 | -2.3 | 111.1 | L142 L145 H149 T150 T157 | L142-R153 HydrophobicContact CD2-CB 4.41Å; L142-R153 HydrophobicContact CD2-CG 3.99Å; L142-R153 PolarHBondContact O-NH2 3.45Å; L145-R153 VanDerWaalsContact CD1-CA 3.5Å; L145-R153 HydrophobicContact CD1-CB 3.81Å; L145-R153 VanDerWaalsContact CD1-N 3.3Å; L145-R153 PolarHBondContact O-NH2 3.3Å; H149-R153 PolarHBondContact O-N 3.05Å; T150-R153 PolarHBondContact O-N 3.35Å; R153-T157 WeakPolarHBondContact O-CB 3.35Å; R153-T157 PolarHBondContact O-N 2.91Å; R153-T157 PolarHBondContact O-OG1 2.72Å |
| 154 | N | 93.3 | Very high | 90.7 | Very high | 103 Ų | 103 | 75 Ų | 75 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.9 | -49.8 | 176.4 | -68.3 | 11.2 | 0 | 0 | 0 | 111.3 | T150 L152 I156 T157 E158 | T150-N154 VanDerWaalsContact O-CG 3.26Å; T150-N154 PolarHBondContact O-N 3.36Å; T150-N154 PolarHBondContact O-OD1 3.5Å; L152-N154 VanDerWaalsContact C-N 3.33Å; L152-N154 PolarHBondContact O-N 3.21Å; N154-I156 VanDerWaalsContact C-N 3.34Å; N154-I156 PolarHBondContact O-N 2.99Å; N154-T157 WeakPolarHBondContact O-CA 3.49Å; N154-T157 PolarHBondContact O-N 3.27Å; N154-E158 WeakPolarHBondContact O-CB 3.47Å; N154-E158 PolarHBondContact O-N 2.88Å |
| 155 | Q | 93.3 | Very high | 90.7 | Very high | 80 Ų | 80 | 74.3 Ų | 74.3 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | -179.3 | -171.8 | -177.8 | 2.1 | 0 | 0 | 113 | R151 L152 V159 F182 M186 | R151-Q155 WeakPolarHBondContact O-CB 3.46Å; R151-Q155 PolarHBondContact O-N 3.4Å; R151-Q155 VanDerWaalsContact O-N 3.08Å; L152-Q155 PolarHBondContact O-N 2.97Å; Q155-V159 WeakPolarHBondContact O-CG2 3.35Å; Q155-V159 PolarHBondContact O-N 2.95Å; Q155-V159 VanDerWaalsContact O-N 3.17Å; Q155-F182 HydrophobicContact CG-CE2 4.07Å; Q155-F182 HydrophobicContact CG-CZ 4.18Å; Q155-M186 HydrophobicContact CG-CE 4.44Å |
| 156 | I | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 173.9 | -65.7 | 166.8 | 0 | 0 | 0 | 110.9 | K138 L141 L142 L145 L152 N154 L160 M186 | K138-I156 HydrophobicContact CG-CG2 4.16Å; L141-I156 HydrophobicContact CB-CD1 4.09Å; L142-I156 HydrophobicContact CD2-CB 3.95Å; L142-I156 HydrophobicContact CD2-CD1 4.19Å; L142-I156 HydrophobicContact CD2-CG2 3.78Å; L142-I156 HydrophobicContact CG-CG2 3.93Å; L145-I156 HydrophobicContact CD1-CD1 3.84Å; L145-I156 HydrophobicContact CG-CD1 4.49Å; L152-I156 VanDerWaalsContact O-CG1 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.14Å; L152-I156 PolarHBondContact O-N 3.25Å; N154-I156 VanDerWaalsContact C-N 3.34Å; N154-I156 PolarHBondContact O-N 2.99Å; I156-L160 HydrophobicContact CG2-CD1 4Å; I156-L160 HydrophobicContact CG2-CG 4.49Å; I156-L160 VanDerWaalsContact O-CB 3.29Å; I156-L160 WeakPolarHBondContact O-CB 3.35Å; I156-L160 PolarHBondContact O-N 3.33Å; I156-M186 HydrophobicContact CD1-CE 4.37Å; I156-M186 HydrophobicContact CD1-CG 3.8Å; I156-M186 HydrophobicContact CD1-SD 3.83Å; I156-M186 HydrophobicContact CG1-CE 3.77Å; I156-M186 HydrophobicContact CG1-CG 3.87Å; I156-M186 HydrophobicContact CG1-SD 3.9Å |
| 157 | T | 93.4 | Very high | 91.1 | Very high | 61 Ų | 61 | 78 Ų | 78 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | -177.5 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | K138 R153 N154 | K138-T157 PolarHBondContact NZ-O 3.07Å; K138-T157 VanDerWaalsContact NZ-O 3.14Å; R153-T157 WeakPolarHBondContact O-CB 3.35Å; R153-T157 PolarHBondContact O-N 2.91Å; R153-T157 PolarHBondContact O-OG1 2.72Å; N154-T157 WeakPolarHBondContact O-CA 3.49Å; N154-T157 PolarHBondContact O-N 3.27Å |
| 158 | E | 92.8 | Very high | 91.5 | Very high | 146 Ų | 146 | 75.9 Ų | 75.9 | 68% | 0.682 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.9 | -45 | -179.4 | -177.9 | 177.3 | -169.1 | 0 | 0 | 112.9 | N154 | N154-E158 WeakPolarHBondContact O-CB 3.47Å; N154-E158 PolarHBondContact O-N 2.88Å |
| 159 | V | 91.2 | Very high | 91.7 | Very high | 63 Ų | 63 | 73.4 Ų | 73.4 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -81.6 | -30 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | Q155 F182 | Q155-V159 WeakPolarHBondContact O-CG2 3.35Å; Q155-V159 PolarHBondContact O-N 2.95Å; Q155-V159 VanDerWaalsContact O-N 3.17Å; V159-F182 HydrophobicContact CB-CD1 4.13Å; V159-F182 HydrophobicContact CB-CD2 4.34Å; V159-F182 HydrophobicContact CB-CE1 3.77Å; V159-F182 HydrophobicContact CB-CE2 3.99Å; V159-F182 HydrophobicContact CB-CG 4.4Å; V159-F182 HydrophobicContact CB-CZ 3.69Å; V159-F182 HydrophobicContact CG1-CB 4.31Å; V159-F182 HydrophobicContact CG1-CD1 3.6Å; V159-F182 HydrophobicContact CG1-CD2 3.87Å; V159-F182 HydrophobicContact CG1-CE1 3.79Å; V159-F182 HydrophobicContact CG1-CE2 4.05Å; V159-F182 HydrophobicContact CG1-CG 3.64Å; V159-F182 HydrophobicContact CG1-CZ 4.01Å; V159-F182 HydrophobicContact CG2-CD2 4.35Å; V159-F182 HydrophobicContact CG2-CE2 3.86Å; V159-F182 HydrophobicContact CG2-CZ 3.96Å |
| 160 | L | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 39.7 | 175.8 | -52.1 | -174.6 | 0 | 0 | 0 | 111.8 | V134 K138 L141 I156 L162 L179 F182 I183 | V134-L160 HydrophobicContact CG1-CD2 4.24Å; K138-L160 HydrophobicContact CB-CB 4.16Å; K138-L160 HydrophobicContact CB-CD1 3.83Å; K138-L160 HydrophobicContact CD-CB 4Å; K138-L160 WeakPolarHBondContact CD-O 3.31Å; K138-L160 VanDerWaalsContact CE-O 3.31Å; K138-L160 WeakPolarHBondContact CE-O 3.32Å; K138-L160 HydrophobicContact CG-CB 4Å; K138-L160 HydrophobicContact CG-CD1 4.18Å; K138-L160 PolarHBondContact NZ-O 3.17Å; L141-L160 HydrophobicContact CD1-CD1 4.36Å; I156-L160 HydrophobicContact CG2-CD1 4Å; I156-L160 HydrophobicContact CG2-CG 4.49Å; I156-L160 VanDerWaalsContact O-CB 3.29Å; I156-L160 WeakPolarHBondContact O-CB 3.35Å; I156-L160 PolarHBondContact O-N 3.33Å; L160-L162 PolarHBondContact O-N 2.85Å; L160-L179 HydrophobicContact CD2-CD1 3.48Å; L160-L179 VanDerWaalsContact CD2-CD1 3.48Å; L160-L179 HydrophobicContact CD2-CG 4.44Å; L160-F182 HydrophobicContact CD2-CD1 3.95Å; L160-F182 HydrophobicContact CD2-CE1 4.12Å; L160-F182 HydrophobicContact CG-CD1 4.41Å; L160-F182 HydrophobicContact CG-CE1 4.07Å; L160-I183 HydrophobicContact CD1-CG1 4.49Å; L160-I183 HydrophobicContact CD2-CD1 4.34Å; L160-I183 HydrophobicContact CD2-CG1 4.13Å |
| 161 | D | 94 | Very high | 91.5 | Very high | 64 Ų | 64 | 78 Ų | 78 | 34% | 0.342 | 38% | 0.38 | S | S | . | . | trans | -69.8 | 115.9 | 173.7 | -169.9 | -43.6 | 0 | 0 | 0 | 110.3 | D163 L164 I165 | D161-D163 PolarHBondContact OD1-N 2.99Å; D161-L164 HydrophobicContact CB-CB 3.95Å; D161-L164 PolarHBondContact OD1-N 3.39Å; D161-L164 VanDerWaalsContact OD1-N 3.13Å; D161-I165 VanDerWaalsContact O-CB 3.31Å; D161-I165 WeakPolarHBondContact O-CB 3.24Å; D161-I165 WeakPolarHBondContact O-CD1 3.09Å; D161-I165 WeakPolarHBondContact O-CG1 3.38Å; D161-I165 PolarHBondContact O-N 3.29Å | ||
| 162 | L | 91.8 | Very high | 91 | Very high | 59 Ų | 59 | 72 Ų | 72 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -75.3 | -28.1 | -173.6 | -58.1 | 180 | 0 | 0 | 0 | 112.6 | I131 V134 L160 K166 | I131-L162 HydrophobicContact CG2-CD2 4.45Å; V134-L162 HydrophobicContact CB-CD2 4.4Å; V134-L162 HydrophobicContact CG1-CD2 4Å; L160-L162 PolarHBondContact O-N 2.85Å; L162-K166 VanDerWaalsContact O-CB 3.23Å; L162-K166 WeakPolarHBondContact O-CB 3.45Å; L162-K166 PolarHBondContact O-N 3.48Å |
| 163 | D | 91.7 | Very high | 90.9 | Very high | 118 Ų | 118 | 73.9 Ų | 73.9 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -75.8 | -37.1 | 177.3 | -72 | -42.1 | 0 | 0 | 0 | 110.2 | D161 Q167 | D161-D163 PolarHBondContact OD1-N 2.99Å; D163-Q167 VanDerWaalsContact O-CG 3.29Å; D163-Q167 WeakPolarHBondContact O-CG 3.44Å; D163-Q167 PolarHBondContact O-N 3.15Å; D163-Q167 VanDerWaalsContact O-N 3.13Å; D163-Q167 PolarHBondContact O-NE2 3.45Å |
| 164 | L | 91.9 | Very high | 90.6 | Very high | 84 Ų | 84 | 71.1 Ų | 71.1 | 44% | 0.44 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67 | -50.2 | 171.8 | -178.2 | 61.2 | 0 | 0 | 0 | 111.7 | D161 K166 Q167 E168 | D161-L164 HydrophobicContact CB-CB 3.95Å; D161-L164 PolarHBondContact OD1-N 3.39Å; D161-L164 VanDerWaalsContact OD1-N 3.13Å; L164-K166 PolarHBondContact O-N 2.91Å; L164-Q167 WeakPolarHBondContact O-CA 3.37Å; L164-Q167 WeakPolarHBondContact O-CB 3.25Å; L164-Q167 PolarHBondContact O-N 3.32Å; L164-E168 PolarHBondContact O-N 2.98Å |
| 165 | I | 92 | Very high | 90.2 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.2 | -35.1 | 179 | -73.2 | 167.4 | 0 | 0 | 0 | 111.2 | I131 V134 D161 A169 L174 L179 | I131-I165 HydrophobicContact CG1-CG2 4.2Å; V134-I165 HydrophobicContact CG1-CD1 4.02Å; D161-I165 VanDerWaalsContact O-CB 3.31Å; D161-I165 WeakPolarHBondContact O-CB 3.24Å; D161-I165 WeakPolarHBondContact O-CD1 3.09Å; D161-I165 WeakPolarHBondContact O-CG1 3.38Å; D161-I165 PolarHBondContact O-N 3.29Å; I165-A169 WeakPolarHBondContact O-CB 3.47Å; I165-A169 PolarHBondContact O-N 2.99Å; I165-L174 HydrophobicContact CG2-CD1 3.93Å; I165-L174 HydrophobicContact CG2-CD2 4.17Å; I165-L179 HydrophobicContact CD1-CD1 3.8Å; I165-L179 HydrophobicContact CD1-CD2 4.06Å |
| 166 | K | 91 | Very high | 89.8 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 173.2 | -173.2 | 171 | -176.6 | -72.5 | 0 | 112.5 | I131 L162 L164 A169 E170 | I131-K166 HydrophobicContact CD1-CB 4.1Å; I131-K166 HydrophobicContact CD1-CG 4.2Å; L162-K166 VanDerWaalsContact O-CB 3.23Å; L162-K166 WeakPolarHBondContact O-CB 3.45Å; L162-K166 PolarHBondContact O-N 3.48Å; L164-K166 PolarHBondContact O-N 2.91Å; K166-A169 PolarHBondContact O-N 2.97Å; K166-E170 IonicContact NZ-OE1 3.49Å; K166-E170 PolarHBondContact NZ-OE1 3.02Å; K166-E170 WeakPolarHBondContact O-CG 3.44Å; K166-E170 PolarHBondContact O-N 2.8Å |
| 167 | Q | 90.3 | Very high | 89.5 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 174.3 | -71.6 | 166.9 | 47.1 | 0 | 0 | 111.9 | D163 L164 A169 E170 N171 | D163-Q167 VanDerWaalsContact O-CG 3.29Å; D163-Q167 WeakPolarHBondContact O-CG 3.44Å; D163-Q167 PolarHBondContact O-N 3.15Å; D163-Q167 VanDerWaalsContact O-N 3.13Å; D163-Q167 PolarHBondContact O-NE2 3.45Å; L164-Q167 WeakPolarHBondContact O-CA 3.37Å; L164-Q167 WeakPolarHBondContact O-CB 3.25Å; L164-Q167 PolarHBondContact O-N 3.32Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-E170 PolarHBondContact O-N 3.01Å; Q167-N171 PolarHBondContact O-N 2.85Å; Q167-N171 VanDerWaalsContact O-N 3.16Å; Q167-N171 PolarHBondContact O-ND2 3.47Å |
| 168 | E | 89.4 | Confident | 89.3 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 173.9 | -69.3 | -173.5 | 161 | 0 | 0 | 111.8 | L164 G172 A173 L174 | L164-E168 PolarHBondContact O-N 2.98Å; E168-G172 PolarHBondContact O-N 2.88Å; E168-A173 PolarHBondContact O-N 3.3Å; E168-L174 HydrophobicContact CB-CB 4.01Å; E168-L174 HydrophobicContact CB-CD1 4.39Å; E168-L174 PolarHBondContact O-N 3.41Å |
| 169 | A | 88.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 11% | 0.107 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y127 I131 I165 K166 Q167 N171 G172 L174 | Y127-A169 HydrophobicContact CD2-CB 3.78Å; Y127-A169 HydrophobicContact CG-CB 4.1Å; I131-A169 HydrophobicContact CD1-CB 4.3Å; I165-A169 WeakPolarHBondContact O-CB 3.47Å; I165-A169 PolarHBondContact O-N 2.99Å; K166-A169 PolarHBondContact O-N 2.97Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; A169-N171 PolarHBondContact O-N 3.3Å; A169-G172 PolarHBondContact O-N 3.33Å; A169-L174 HydrophobicContact CB-CB 4.42Å; A169-L174 HydrophobicContact CB-CD2 4.02Å |
| 170 | E | 87.6 | Confident | 89.2 | Confident | 130 Ų | 130 | 64.3 Ų | 64.3 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.8 | -27.4 | 179.5 | -74.7 | 175 | 178.3 | 0 | 0 | 113.4 | K166 Q167 | K166-E170 IonicContact NZ-OE1 3.49Å; K166-E170 PolarHBondContact NZ-OE1 3.02Å; K166-E170 WeakPolarHBondContact O-CG 3.44Å; K166-E170 PolarHBondContact O-N 2.8Å; Q167-E170 PolarHBondContact O-N 3.01Å |
| 171 | N | 87.3 | Confident | 89.1 | Confident | 132 Ų | 132 | 71 Ų | 71 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 5.4 | 177.2 | -69.3 | -84.8 | 0 | 0 | 0 | 113.7 | Q167 A169 A173 | Q167-N171 PolarHBondContact O-N 2.85Å; Q167-N171 VanDerWaalsContact O-N 3.16Å; Q167-N171 PolarHBondContact O-ND2 3.47Å; A169-N171 PolarHBondContact O-N 3.3Å; N171-A173 VanDerWaalsContact C-N 3.27Å; N171-A173 PolarHBondContact O-N 3.08Å |
| 172 | G | 82.6 | Confident | 89.1 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 71% | 0.711 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 23.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E168 A169 | E168-G172 PolarHBondContact O-N 2.88Å; A169-G172 PolarHBondContact O-N 3.33Å |
| 173 | A | 87.4 | Confident | 89.2 | Confident | 69 Ų | 69 | 67 Ų | 67 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | trans | -103.3 | -11.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | E168 N171 D175 | E168-A173 PolarHBondContact O-N 3.3Å; N171-A173 VanDerWaalsContact C-N 3.27Å; N171-A173 PolarHBondContact O-N 3.08Å; A173-D175 PolarHBondContact O-N 3Å | ||
| 174 | L | 86.8 | Confident | 89.3 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | trans | -63.3 | 122.3 | -174.3 | 177.6 | 61.6 | 0 | 0 | 0 | 113.1 | Y127 I165 E168 A169 I176 | Y127-L174 HydrophobicContact CD1-CD2 4.36Å; Y127-L174 HydrophobicContact CG-CD2 4.48Å; I165-L174 HydrophobicContact CG2-CD1 3.93Å; I165-L174 HydrophobicContact CG2-CD2 4.17Å; E168-L174 HydrophobicContact CB-CB 4.01Å; E168-L174 HydrophobicContact CB-CD1 4.39Å; E168-L174 PolarHBondContact O-N 3.41Å; A169-L174 HydrophobicContact CB-CB 4.42Å; A169-L174 HydrophobicContact CB-CD2 4.02Å; L174-I176 HydrophobicContact CD2-CD1 4.49Å; L174-I176 HydrophobicContact CD2-CG1 4.05Å; L174-I176 HydrophobicContact CG-CG1 4.08Å | ||
| 175 | D | 86.1 | Confident | 89.4 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | trans | -102.1 | 92.9 | 172.5 | -167.7 | -30 | 0 | 0 | 0 | 111.7 | A173 S177 K178 L179 | A173-D175 PolarHBondContact O-N 3Å; D175-S177 PolarHBondContact O-N 2.88Å; D175-S177 WeakPolarHBondContact OD1-CA 3.2Å; D175-S177 WeakPolarHBondContact OD1-CB 3.35Å; D175-S177 PolarHBondContact OD1-N 2.97Å; D175-S177 PolarHBondContact OD1-OG 2.94Å; D175-K178 HydrophobicContact CB-CB 4.3Å; D175-K178 HydrophobicContact CB-CD 4.33Å; D175-K178 HydrophobicContact CB-CG 4.24Å; D175-K178 PolarHBondContact O-N 3.43Å; D175-K178 PolarHBondContact OD1-N 3.44Å; D175-K178 IonicContact OD2-NZ 2.59Å; D175-K178 PolarHBondContact OD2-NZ 3.47Å; D175-L179 PolarHBondContact O-N 3.02Å | ||
| 176 | I | 84.7 | Confident | 89.4 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.4 | -26.9 | 176.8 | -63.9 | 177.4 | 0 | 0 | 0 | 111.9 | Y127 L174 L179 A180 I208 F212 | Y127-I176 HydrophobicContact CD1-CD1 3.9Å; Y127-I176 HydrophobicContact CE1-CD1 3.66Å; L174-I176 HydrophobicContact CD2-CD1 4.49Å; L174-I176 HydrophobicContact CD2-CG1 4.05Å; L174-I176 HydrophobicContact CG-CG1 4.08Å; I176-L179 PolarHBondContact O-N 3.34Å; I176-A180 WeakPolarHBondContact O-CB 3.2Å; I176-A180 PolarHBondContact O-N 3.42Å; I176-I208 HydrophobicContact CD1-CD1 4.13Å; I176-I208 HydrophobicContact CG2-CD1 4.36Å; I176-I208 HydrophobicContact CG2-CG1 4.14Å; I176-I208 HydrophobicContact CG2-CG2 4Å; I176-F212 HydrophobicContact CG2-CE2 4.17Å; I176-F212 HydrophobicContact CG2-CZ 4.47Å |
| 177 | S | 86.4 | Confident | 89.6 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 56% | 0.559 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.7 | -48.3 | -179.1 | -43.2 | 0 | 0 | 0 | 0 | 110.6 | D175 L179 A180 E181 | D175-S177 PolarHBondContact O-N 2.88Å; D175-S177 WeakPolarHBondContact OD1-CA 3.2Å; D175-S177 WeakPolarHBondContact OD1-CB 3.35Å; D175-S177 PolarHBondContact OD1-N 2.97Å; D175-S177 PolarHBondContact OD1-OG 2.94Å; S177-L179 VanDerWaalsContact C-N 3.29Å; S177-L179 PolarHBondContact O-N 2.65Å; S177-A180 PolarHBondContact O-N 3.44Å; S177-E181 WeakPolarHBondContact O-CG 3.43Å; S177-E181 PolarHBondContact O-N 3.31Å |
| 178 | K | 89.2 | Confident | 89.6 | Confident | 136 Ų | 136 | 51.9 Ų | 51.9 | 59% | 0.591 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.1 | -40.6 | 173.7 | -69.6 | -172.2 | -170.4 | 83.2 | 0 | 111.9 | D175 E181 F182 | D175-K178 HydrophobicContact CB-CB 4.3Å; D175-K178 HydrophobicContact CB-CD 4.33Å; D175-K178 HydrophobicContact CB-CG 4.24Å; D175-K178 PolarHBondContact O-N 3.43Å; D175-K178 PolarHBondContact OD1-N 3.44Å; D175-K178 IonicContact OD2-NZ 2.59Å; D175-K178 PolarHBondContact OD2-NZ 3.47Å; K178-E181 PolarHBondContact O-N 2.86Å; K178-F182 PolarHBondContact O-N 3.45Å |
| 179 | L | 90.6 | Very high | 89.7 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 178.5 | -169.6 | 64.3 | 0 | 0 | 0 | 111.4 | V134 L160 I165 D175 I176 S177 F182 I183 | V134-L179 HydrophobicContact CG1-CD2 4.18Å; V134-L179 HydrophobicContact CG2-CD2 3.67Å; L160-L179 HydrophobicContact CD2-CD1 3.48Å; L160-L179 VanDerWaalsContact CD2-CD1 3.48Å; L160-L179 HydrophobicContact CD2-CG 4.44Å; I165-L179 HydrophobicContact CD1-CD1 3.8Å; I165-L179 HydrophobicContact CD1-CD2 4.06Å; D175-L179 PolarHBondContact O-N 3.02Å; I176-L179 PolarHBondContact O-N 3.34Å; S177-L179 VanDerWaalsContact C-N 3.29Å; S177-L179 PolarHBondContact O-N 2.65Å; L179-F182 PolarHBondContact O-N 3.13Å; L179-I183 HydrophobicContact CG-CD1 4.24Å; L179-I183 WeakPolarHBondContact O-CD1 3.4Å; L179-I183 VanDerWaalsContact O-CG1 3.3Å; L179-I183 WeakPolarHBondContact O-CG1 3.39Å; L179-I183 PolarHBondContact O-N 3.47Å |
| 180 | A | 90.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I176 S177 F182 I183 I184 L211 | I176-A180 WeakPolarHBondContact O-CB 3.2Å; I176-A180 PolarHBondContact O-N 3.42Å; S177-A180 PolarHBondContact O-N 3.44Å; A180-F182 VanDerWaalsContact C-N 3.3Å; A180-F182 PolarHBondContact O-N 3.47Å; A180-I183 PolarHBondContact O-N 3.18Å; A180-I184 WeakPolarHBondContact O-CB 3.39Å; A180-I184 WeakPolarHBondContact O-CD1 3.49Å; A180-I184 WeakPolarHBondContact O-CG1 3.39Å; A180-I184 PolarHBondContact O-N 2.92Å; A180-L211 HydrophobicContact CB-CD2 3.7Å; A180-L211 HydrophobicContact CB-CG 4.48Å |
| 181 | E | 92.2 | Very high | 89.7 | Confident | 140 Ų | 140 | 48.2 Ų | 48.2 | 65% | 0.654 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.9 | -42.5 | 173.7 | -77.9 | -177.7 | -178.2 | 0 | 0 | 112 | S177 K178 G185 | S177-E181 WeakPolarHBondContact O-CG 3.43Å; S177-E181 PolarHBondContact O-N 3.31Å; K178-E181 PolarHBondContact O-N 2.86Å; E181-G185 PolarHBondContact O-N 3.03Å |
| 182 | F | 93.9 | Very high | 89.7 | Confident | 39 Ų | 39 | 44 Ų | 44 | 17% | 0.171 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.1 | 175.9 | -96.2 | 0 | 0 | 0 | 112.3 | Q155 V159 L160 K178 L179 A180 G185 M186 | Q155-F182 HydrophobicContact CG-CE2 4.07Å; Q155-F182 HydrophobicContact CG-CZ 4.18Å; V159-F182 HydrophobicContact CB-CD1 4.13Å; V159-F182 HydrophobicContact CB-CD2 4.34Å; V159-F182 HydrophobicContact CB-CE1 3.77Å; V159-F182 HydrophobicContact CB-CE2 3.99Å; V159-F182 HydrophobicContact CB-CG 4.4Å; V159-F182 HydrophobicContact CB-CZ 3.69Å; V159-F182 HydrophobicContact CG1-CB 4.31Å; V159-F182 HydrophobicContact CG1-CD1 3.6Å; V159-F182 HydrophobicContact CG1-CD2 3.87Å; V159-F182 HydrophobicContact CG1-CE1 3.79Å; V159-F182 HydrophobicContact CG1-CE2 4.05Å; V159-F182 HydrophobicContact CG1-CG 3.64Å; V159-F182 HydrophobicContact CG1-CZ 4.01Å; V159-F182 HydrophobicContact CG2-CD2 4.35Å; V159-F182 HydrophobicContact CG2-CE2 3.86Å; V159-F182 HydrophobicContact CG2-CZ 3.96Å; L160-F182 HydrophobicContact CD2-CD1 3.95Å; L160-F182 HydrophobicContact CD2-CE1 4.12Å; L160-F182 HydrophobicContact CG-CD1 4.41Å; L160-F182 HydrophobicContact CG-CE1 4.07Å; K178-F182 PolarHBondContact O-N 3.45Å; L179-F182 PolarHBondContact O-N 3.13Å; A180-F182 VanDerWaalsContact C-N 3.3Å; A180-F182 PolarHBondContact O-N 3.47Å; F182-G185 PolarHBondContact O-N 3.34Å; F182-M186 HydrophobicContact CE2-CE 4.12Å; F182-M186 HydrophobicContact CZ-CE 3.79Å; F182-M186 WeakPolarHBondContact O-CB 3.37Å; F182-M186 PolarHBondContact O-N 3.37Å |
| 183 | I | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 177.8 | -72.4 | 162.5 | 0 | 0 | 0 | 110.7 | I137 L160 L179 A180 G185 M186 M187 I215 | I137-I183 HydrophobicContact CD1-CD1 4.3Å; I137-I183 HydrophobicContact CG2-CD1 4.04Å; I137-I183 HydrophobicContact CG2-CG1 4.01Å; I137-I183 HydrophobicContact CG2-CG2 3.75Å; L160-I183 HydrophobicContact CD1-CG1 4.49Å; L160-I183 HydrophobicContact CD2-CD1 4.34Å; L160-I183 HydrophobicContact CD2-CG1 4.13Å; L179-I183 HydrophobicContact CG-CD1 4.24Å; L179-I183 WeakPolarHBondContact O-CD1 3.4Å; L179-I183 VanDerWaalsContact O-CG1 3.3Å; L179-I183 WeakPolarHBondContact O-CG1 3.39Å; L179-I183 PolarHBondContact O-N 3.47Å; A180-I183 PolarHBondContact O-N 3.18Å; I183-G185 VanDerWaalsContact C-N 3.32Å; I183-G185 PolarHBondContact O-N 2.85Å; I183-M186 PolarHBondContact O-N 3.43Å; I183-M187 HydrophobicContact CG2-CG 4.49Å; I183-M187 HydrophobicContact CG2-SD 3.81Å; I183-M187 VanDerWaalsContact O-CG 3.28Å; I183-M187 WeakPolarHBondContact O-CG 3.35Å; I183-M187 PolarHBondContact O-N 2.92Å; I183-I215 HydrophobicContact CG2-CD1 4.24Å; I183-I215 HydrophobicContact CG2-CG2 4.07Å |
| 184 | I | 93.7 | Very high | 90 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 177.9 | -61.4 | 160.6 | 0 | 0 | 0 | 110.7 | A180 M187 G188 V199 L202 K203 L211 I215 | A180-I184 WeakPolarHBondContact O-CB 3.39Å; A180-I184 WeakPolarHBondContact O-CD1 3.49Å; A180-I184 WeakPolarHBondContact O-CG1 3.39Å; A180-I184 PolarHBondContact O-N 2.92Å; I184-M187 PolarHBondContact O-N 3.41Å; I184-G188 PolarHBondContact O-N 3.48Å; I184-V199 HydrophobicContact CG2-CG1 3.78Å; I184-V199 WeakPolarHBondContact CG2-O 3.35Å; I184-L202 HydrophobicContact CD1-CB 3.93Å; I184-L202 HydrophobicContact CG1-CB 3.98Å; I184-L202 HydrophobicContact CG1-CD1 4.23Å; I184-L202 HydrophobicContact CG2-CB 4.28Å; I184-K203 HydrophobicContact CD1-CG 4.45Å; I184-K203 HydrophobicContact CG2-CD 4.39Å; I184-K203 HydrophobicContact CG2-CG 3.85Å; I184-L211 HydrophobicContact CD1-CD1 4.17Å; I184-I215 HydrophobicContact CG1-CD1 4.42Å |
| 185 | G | 93.1 | Very high | 90.2 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E181 F182 I183 T189 | E181-G185 PolarHBondContact O-N 3.03Å; F182-G185 PolarHBondContact O-N 3.34Å; I183-G185 VanDerWaalsContact C-N 3.32Å; I183-G185 PolarHBondContact O-N 2.85Å; G185-T189 PolarHBondContact O-N 3.02Å; G185-T189 PolarHBondContact O-OG1 2.99Å |
| 186 | M | 93.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.2 | -41.4 | 175.5 | -168 | 59.7 | 59 | 0 | 0 | 111.6 | L141 L152 Q155 I156 F182 I183 G188 T189 L190 | L141-M186 HydrophobicContact CD1-CB 4.35Å; L141-M186 HydrophobicContact CD1-CG 4.19Å; L141-M186 HydrophobicContact CD2-CG 4.35Å; L152-M186 HydrophobicContact CD2-CE 4.42Å; L152-M186 HydrophobicContact CD2-SD 4.2Å; Q155-M186 HydrophobicContact CG-CE 4.44Å; I156-M186 HydrophobicContact CD1-CE 4.37Å; I156-M186 HydrophobicContact CD1-CG 3.8Å; I156-M186 HydrophobicContact CD1-SD 3.83Å; I156-M186 HydrophobicContact CG1-CE 3.77Å; I156-M186 HydrophobicContact CG1-CG 3.87Å; I156-M186 HydrophobicContact CG1-SD 3.9Å; F182-M186 HydrophobicContact CE2-CE 4.12Å; F182-M186 HydrophobicContact CZ-CE 3.79Å; F182-M186 WeakPolarHBondContact O-CB 3.37Å; F182-M186 PolarHBondContact O-N 3.37Å; I183-M186 PolarHBondContact O-N 3.43Å; M186-G188 PolarHBondContact O-N 3.38Å; M186-T189 WeakPolarHBondContact O-CB 3.4Å; M186-T189 PolarHBondContact O-N 2.87Å; M186-L190 HydrophobicContact CG-CD1 3.99Å; M186-L190 WeakPolarHBondContact O-CG 3.38Å; M186-L190 PolarHBondContact O-N 3.29Å; M186-L190 VanDerWaalsContact O-N 3.14Å; M186-L190 HydrophobicContact SD-CD1 4.21Å; M186-L190 HydrophobicContact SD-CG 4.47Å |
| 187 | M | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.2 | -48.7 | 172.8 | -71.7 | 168.9 | 68.2 | 0 | 0 | 111.1 | L141 I183 I184 T189 L190 C191 V199 L202 I215 V218 L219 M222 | L141-M187 HydrophobicContact CD2-CG 3.94Å; I183-M187 HydrophobicContact CG2-CG 4.49Å; I183-M187 HydrophobicContact CG2-SD 3.81Å; I183-M187 VanDerWaalsContact O-CG 3.28Å; I183-M187 WeakPolarHBondContact O-CG 3.35Å; I183-M187 PolarHBondContact O-N 2.92Å; I184-M187 PolarHBondContact O-N 3.41Å; M187-T189 PolarHBondContact O-N 2.62Å; M187-T189 VanDerWaalsContact O-N 3.14Å; M187-L190 PolarHBondContact O-N 3.39Å; M187-C191 WeakPolarHBondContact O-CB 3.5Å; M187-C191 PolarHBondContact O-N 3.03Å; M187-C191 PolarHBondContact O-SG 3.28Å; M187-C191 VanDerWaalsContact O-SG 3.37Å; M187-V199 HydrophobicContact CB-CG2 4.45Å; M187-L202 HydrophobicContact CE-CD1 3.74Å; M187-L202 HydrophobicContact SD-CD1 4.32Å; M187-I215 HydrophobicContact CE-CG2 4.47Å; M187-I215 HydrophobicContact SD-CG1 4.41Å; M187-I215 HydrophobicContact SD-CG2 3.95Å; M187-V218 HydrophobicContact CE-CB 3.69Å; M187-V218 HydrophobicContact CE-CG1 3.56Å; M187-L219 HydrophobicContact CE-CD2 4.03Å; M187-L219 HydrophobicContact CE-CG 3.88Å; M187-L219 HydrophobicContact CG-CD2 3.89Å; M187-L219 HydrophobicContact SD-CD2 4.05Å; M187-L219 HydrophobicContact SD-CG 4.14Å; M187-M222 HydrophobicContact CB-CE 4.44Å; M187-M222 HydrophobicContact CB-SD 4.16Å; M187-M222 HydrophobicContact CE-SD 4.15Å; M187-M222 HydrophobicContact CG-SD 4.22Å |
| 188 | G | 91.6 | Very high | 91 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.2 | -8.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | I184 M186 | I184-G188 PolarHBondContact O-N 3.48Å; M186-G188 PolarHBondContact O-N 3.38Å |
| 189 | T | 90.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 44.9 Ų | 44.9 | 57% | 0.571 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -97 | -17.2 | 172.6 | -55.5 | 0 | 0 | 0 | 0 | 112 | G185 M186 M187 | G185-T189 PolarHBondContact O-N 3.02Å; G185-T189 PolarHBondContact O-OG1 2.99Å; M186-T189 WeakPolarHBondContact O-CB 3.4Å; M186-T189 PolarHBondContact O-N 2.87Å; M187-T189 PolarHBondContact O-N 2.62Å; M187-T189 VanDerWaalsContact O-N 3.14Å |
| 190 | L | 88.1 | Confident | 91.1 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -116.7 | -13.6 | -173.5 | -64.1 | 177.7 | 0 | 0 | 0 | 114.1 | L141 F144 L145 L152 M186 M187 M222 | L141-L190 HydrophobicContact CD2-CD1 4.21Å; F144-L190 HydrophobicContact CD2-CD1 4.49Å; L145-L190 HydrophobicContact CD2-CD1 4.17Å; L145-L190 HydrophobicContact CD2-CD2 3.67Å; L152-L190 HydrophobicContact CD1-CD2 4.25Å; M186-L190 HydrophobicContact CG-CD1 3.99Å; M186-L190 WeakPolarHBondContact O-CG 3.38Å; M186-L190 PolarHBondContact O-N 3.29Å; M186-L190 VanDerWaalsContact O-N 3.14Å; M186-L190 HydrophobicContact SD-CD1 4.21Å; M186-L190 HydrophobicContact SD-CG 4.47Å; M187-L190 PolarHBondContact O-N 3.39Å; L190-M222 HydrophobicContact CB-CE 3.99Å |
| 191 | C | 88.3 | Confident | 91.2 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -78.3 | 160.9 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | M187 R195 M222 | M187-C191 WeakPolarHBondContact O-CB 3.5Å; M187-C191 PolarHBondContact O-N 3.03Å; M187-C191 PolarHBondContact O-SG 3.28Å; M187-C191 VanDerWaalsContact O-SG 3.37Å; C191-R195 HydrophobicContact CB-CB 3.94Å; C191-R195 HydrophobicContact CB-CG 4.43Å; C191-M222 HydrophobicContact CB-CE 3.92Å; C191-M222 HydrophobicContact CB-CG 4.22Å; C191-M222 HydrophobicContact CB-SD 4.09Å |
| 192 | A | 87.3 | Confident | 91.2 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | trans | -73.7 | 149.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A194 R195 | A192-A194 PolarHBondContact O-N 3.45Å; A192-R195 WeakPolarHBondContact O-CB 3.33Å; A192-R195 PolarHBondContact O-N 2.98Å | ||
| 193 | P | 87.9 | Confident | 90.9 | Very high | 109 Ų | 109 | 53.1 Ų | 53.1 | 71% | 0.708 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -56.1 | -19.7 | -179 | -28.5 | 35.8 | 0 | 0 | 0 | 115.4 | R195 D196 | P193-R195 PolarHBondContact O-N 3.28Å; P193-D196 WeakPolarHBondContact CA-OD1 3.29Å; P193-D196 PolarHBondContact O-N 3.42Å |
| 194 | A | 88.1 | Confident | 90.8 | Very high | 81 Ų | 81 | 59 Ų | 59 | 67% | 0.669 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -68 | -7.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A192 | A192-A194 PolarHBondContact O-N 3.45Š|
| 195 | R | 91.6 | Very high | 90.6 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 18% | 0.181 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -110.5 | -3 | -179.6 | -58.1 | -57 | -176.8 | -165.4 | -5.2 | 114.2 | C191 A192 P193 E197 E198 V199 D225 | C191-R195 HydrophobicContact CB-CB 3.94Å; C191-R195 HydrophobicContact CB-CG 4.43Å; A192-R195 WeakPolarHBondContact O-CB 3.33Å; A192-R195 PolarHBondContact O-N 2.98Å; P193-R195 PolarHBondContact O-N 3.28Å; R195-E197 PolarHBondContact O-N 2.91Å; R195-E198 WeakPolarHBondContact CD-OE1 3.41Å; R195-E198 IonicContact CZ-OE1 3.21Å; R195-E198 IonicContact NE-OE1 3.8Å; R195-E198 IonicContact NH1-OE1 3.33Å; R195-E198 PolarHBondContact NH1-OE1 3.38Å; R195-E198 WeakPolarHBondContact O-CA 3.44Å; R195-E198 WeakPolarHBondContact O-CB 3.43Å; R195-E198 PolarHBondContact O-N 3.41Å; R195-V199 PolarHBondContact O-N 2.96Å; R195-D225 WeakPolarHBondContact CG-OD2 3.34Å; R195-D225 IonicContact CZ-OD1 3.52Å; R195-D225 IonicContact CZ-OD2 3.63Å; R195-D225 IonicContact NE-OD1 2.84Å; R195-D225 IonicContact NE-OD2 3.01Å; R195-D225 PolarHBondContact NE-OD2 3.46Å; R195-D225 IonicContact NH2-OD1 3.33Å; R195-D225 PolarHBondContact NH2-OD1 3.4Å; R195-D225 IonicContact NH2-OD2 3.07Å; R195-D225 PolarHBondContact NH2-OD2 3.17Å |
| 196 | D | 90 | Very high | 90.3 | Very high | 81 Ų | 81 | 68.8 Ų | 68.8 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | -173.3 | -66 | 0.7 | 0 | 0 | 0 | 111.7 | P193 K200 | P193-D196 WeakPolarHBondContact CA-OD1 3.29Å; P193-D196 PolarHBondContact O-N 3.42Å; D196-K200 WeakPolarHBondContact O-CB 3.39Å; D196-K200 PolarHBondContact O-N 3.05Å |
| 197 | E | 91.5 | Very high | 90.1 | Very high | 101 Ų | 101 | 75.1 Ų | 75.1 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -76.1 | -29.9 | 175.7 | -69.9 | -65 | 142.8 | 0 | 0 | 113.4 | R195 K200 K201 | R195-E197 PolarHBondContact O-N 2.91Å; E197-K200 IonicContact OE1-NZ 3.6Å; E197-K200 PolarHBondContact OE1-NZ 2.88Å; E197-K200 IonicContact OE2-NZ 3.72Å; E197-K200 PolarHBondContact OE2-NZ 3.48Å; E197-K201 VanDerWaalsContact O-CD 3.27Å; E197-K201 WeakPolarHBondContact O-CD 3.35Å; E197-K201 WeakPolarHBondContact O-CE 3.26Å; E197-K201 WeakPolarHBondContact O-CG 3.49Å; E197-K201 PolarHBondContact O-N 2.95Å |
| 198 | E | 91.3 | Very high | 89.8 | Confident | 47 Ų | 47 | 78 Ų | 78 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.1 | -50.3 | 167.3 | -71.2 | 94.7 | 113.2 | 0 | 0 | 111.4 | R195 K200 K201 L202 V218 | R195-E198 WeakPolarHBondContact CD-OE1 3.41Å; R195-E198 IonicContact CZ-OE1 3.21Å; R195-E198 IonicContact NE-OE1 3.8Å; R195-E198 IonicContact NH1-OE1 3.33Å; R195-E198 PolarHBondContact NH1-OE1 3.38Å; R195-E198 WeakPolarHBondContact O-CA 3.44Å; R195-E198 WeakPolarHBondContact O-CB 3.43Å; R195-E198 PolarHBondContact O-N 3.41Å; E198-K200 PolarHBondContact O-N 3.45Å; E198-K201 PolarHBondContact O-N 3.3Å; E198-K201 VanDerWaalsContact O-N 3.16Å; E198-L202 PolarHBondContact O-N 3.21Å; E198-V218 HydrophobicContact CB-CG2 3.97Å |
| 199 | V | 91.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 4% | 0.036 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.9 | -33.7 | 179.3 | 175 | 0 | 0 | 0 | 0 | 111.6 | I184 M187 R195 L202 V218 | I184-V199 HydrophobicContact CG2-CG1 3.78Å; I184-V199 WeakPolarHBondContact CG2-O 3.35Å; M187-V199 HydrophobicContact CB-CG2 4.45Å; R195-V199 PolarHBondContact O-N 2.96Å; V199-L202 WeakPolarHBondContact O-CB 3.45Å; V199-L202 PolarHBondContact O-N 3.21Å; V199-V218 HydrophobicContact CG2-CG1 4.06Å |
| 200 | K | 91.2 | Very high | 89.8 | Confident | 109 Ų | 109 | 75 Ų | 75 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 174.3 | 178.2 | 176.8 | 162.3 | -148.8 | 0 | 112.6 | D196 E197 E198 L202 K203 | D196-K200 WeakPolarHBondContact O-CB 3.39Å; D196-K200 PolarHBondContact O-N 3.05Å; E197-K200 IonicContact OE1-NZ 3.6Å; E197-K200 PolarHBondContact OE1-NZ 2.88Å; E197-K200 IonicContact OE2-NZ 3.72Å; E197-K200 PolarHBondContact OE2-NZ 3.48Å; E198-K200 PolarHBondContact O-N 3.45Å; K200-L202 PolarHBondContact O-N 3.13Å; K200-K203 WeakPolarHBondContact O-CB 3.3Å; K200-K203 PolarHBondContact O-N 3.18Å |
| 201 | K | 92.5 | Very high | 90 | Very high | 114 Ų | 114 | 74.8 Ų | 74.8 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.1 | -30.2 | 176.5 | -68.6 | 156.7 | -160.2 | 152.5 | 0 | 112.8 | E197 E198 K203 D204 | E197-K201 VanDerWaalsContact O-CD 3.27Å; E197-K201 WeakPolarHBondContact O-CD 3.35Å; E197-K201 WeakPolarHBondContact O-CE 3.26Å; E197-K201 WeakPolarHBondContact O-CG 3.49Å; E197-K201 PolarHBondContact O-N 2.95Å; E198-K201 PolarHBondContact O-N 3.3Å; E198-K201 VanDerWaalsContact O-N 3.16Å; K201-K203 PolarHBondContact O-N 3.1Å; K201-D204 PolarHBondContact O-N 2.93Å |
| 202 | L | 92.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -57.4 | -29.5 | 175 | -59.1 | 177.2 | 0 | 0 | 0 | 112.2 | I184 M187 E198 V199 K200 D204 I205 L211 E214 I215 V218 | I184-L202 HydrophobicContact CD1-CB 3.93Å; I184-L202 HydrophobicContact CG1-CB 3.98Å; I184-L202 HydrophobicContact CG1-CD1 4.23Å; I184-L202 HydrophobicContact CG2-CB 4.28Å; M187-L202 HydrophobicContact CE-CD1 3.74Å; M187-L202 HydrophobicContact SD-CD1 4.32Å; E198-L202 PolarHBondContact O-N 3.21Å; V199-L202 WeakPolarHBondContact O-CB 3.45Å; V199-L202 PolarHBondContact O-N 3.21Å; K200-L202 PolarHBondContact O-N 3.13Å; L202-D204 VanDerWaalsContact C-N 3.29Å; L202-D204 PolarHBondContact O-N 3.14Å; L202-I205 HydrophobicContact CD2-CD1 4.36Å; L202-I205 PolarHBondContact O-N 3.27Å; L202-L211 HydrophobicContact CB-CD1 4.31Å; L202-L211 WeakPolarHBondContact O-CD1 3.33Å; L202-E214 HydrophobicContact CD2-CB 3.58Å; L202-I215 HydrophobicContact CD1-CG1 4.04Å; L202-I215 HydrophobicContact CD2-CG1 4.4Å; L202-V218 HydrophobicContact CD1-CG2 4.37Å; L202-V218 HydrophobicContact CD2-CG2 4.34Å |
| 203 | K | 88.5 | Confident | 90.4 | Very high | 144 Ų | 144 | 78.8 Ų | 78.8 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -74.7 | -17.1 | 179.7 | -56 | -175.9 | -179.6 | -176.8 | 0 | 113.7 | I184 K200 K201 | I184-K203 HydrophobicContact CD1-CG 4.45Å; I184-K203 HydrophobicContact CG2-CD 4.39Å; I184-K203 HydrophobicContact CG2-CG 3.85Å; K200-K203 WeakPolarHBondContact O-CB 3.3Å; K200-K203 PolarHBondContact O-N 3.18Å; K201-K203 PolarHBondContact O-N 3.1Å |
| 204 | D | 90.6 | Very high | 90.7 | Very high | 124 Ų | 124 | 76.8 Ų | 76.8 | 66% | 0.663 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -86.2 | -15.7 | 177.7 | -60.8 | -47.7 | 0 | 0 | 0 | 112.2 | K201 L202 | K201-D204 PolarHBondContact O-N 2.93Å; L202-D204 VanDerWaalsContact C-N 3.29Å; L202-D204 PolarHBondContact O-N 3.14Å |
| 205 | I | 90.8 | Very high | 91 | Very high | 46 Ų | 46 | 73 Ų | 73 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | trans | -84.4 | 116.2 | -177.6 | -51.9 | 173.5 | 0 | 0 | 0 | 110 | L202 P210 L211 E214 | L202-I205 HydrophobicContact CD2-CD1 4.36Å; L202-I205 PolarHBondContact O-N 3.27Å; I205-P210 HydrophobicContact CG2-CB 3.9Å; I205-L211 HydrophobicContact CB-CB 4.35Å; I205-L211 HydrophobicContact CB-CD1 4.22Å; I205-L211 HydrophobicContact CG2-CB 3.88Å; I205-E214 HydrophobicContact CD1-CB 3.87Å; I205-E214 HydrophobicContact CD1-CG 3.91Å | ||
| 206 | K | 86.3 | Confident | 91 | Very high | 200 Ų | 200 | 72 Ų | 72 | 87% | 0.87 | 34% | 0.337 | S | S | * | . | trans | -98 | -14.7 | -177.1 | -61.3 | -178.1 | -178.5 | -179.8 | 0 | 114.7 | ||||
| 207 | E | 88.8 | Confident | 91.1 | Very high | 139 Ų | 139 | 70.9 Ų | 70.9 | 65% | 0.65 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -92.1 | 128 | -179 | -67.1 | 176.7 | -157.3 | 0 | 0 | 110.3 | V209 P210 L211 | E207-V209 PolarHBondContact O-N 3.29Å; E207-P210 HydrophobicContact CB-CB 4.44Å; E207-P210 HydrophobicContact CB-CG 3.8Å; E207-P210 WeakPolarHBondContact O-CD 3.18Å; E207-L211 WeakPolarHBondContact O-CB 3.4Å; E207-L211 PolarHBondContact O-N 3.49Å |
| 208 | I | 87 | Confident | 91.2 | Very high | 60 Ų | 60 | 66.4 Ų | 66.4 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | -171.4 | -63.8 | 165.7 | 0 | 0 | 0 | 112.4 | L120 I176 L211 F212 | L120-I208 HydrophobicContact CD1-CB 4.24Å; L120-I208 HydrophobicContact CD1-CG2 3.71Å; I176-I208 HydrophobicContact CD1-CD1 4.13Å; I176-I208 HydrophobicContact CG2-CD1 4.36Å; I176-I208 HydrophobicContact CG2-CG1 4.14Å; I176-I208 HydrophobicContact CG2-CG2 4Å; I208-L211 PolarHBondContact O-N 3.33Å; I208-F212 HydrophobicContact CG2-CD2 3.67Å; I208-F212 HydrophobicContact CG2-CE2 3.65Å; I208-F212 WeakPolarHBondContact O-CD2 3.29Å; I208-F212 PolarHBondContact O-N 2.95Å |
| 209 | V | 89.9 | Confident | 91.3 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.7 | -48.8 | -175.5 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | W113 L116 L120 E207 L211 R213 | W113-V209 HydrophobicContact CB-CG1 4.11Å; W113-V209 HydrophobicContact CD2-CG1 4.45Å; W113-V209 HydrophobicContact CE3-CG1 3.92Å; L116-V209 HydrophobicContact CD2-CG1 4.47Å; L116-V209 HydrophobicContact CD2-CG2 4.02Å; L116-V209 HydrophobicContact CG-CG2 4.06Å; L120-V209 HydrophobicContact CD1-CG2 3.87Å; E207-V209 PolarHBondContact O-N 3.29Å; V209-L211 VanDerWaalsContact C-N 3.3Å; V209-L211 PolarHBondContact O-N 3.14Å; V209-R213 WeakPolarHBondContact O-CB 3.47Å; V209-R213 PolarHBondContact O-N 3.18Å |
| 210 | P | 91.8 | Very high | 91.3 | Very high | 48 Ų | 48 | 67.7 Ų | 67.7 | 31% | 0.312 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.9 | -38.9 | 167.9 | -28.4 | 37 | 0 | 0 | 0 | 113.9 | I205 E207 R213 E214 | I205-P210 HydrophobicContact CG2-CB 3.9Å; E207-P210 HydrophobicContact CB-CB 4.44Å; E207-P210 HydrophobicContact CB-CG 3.8Å; E207-P210 WeakPolarHBondContact O-CD 3.18Å; P210-R213 PolarHBondContact O-N 2.96Å; P210-E214 PolarHBondContact O-N 3.32Å |
| 211 | L | 92.8 | Very high | 91.3 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.6 | -49.4 | -179.2 | 177.5 | 54.5 | 0 | 0 | 0 | 111.9 | A180 I184 L202 I205 E207 I208 V209 R213 E214 I215 | A180-L211 HydrophobicContact CB-CD2 3.7Å; A180-L211 HydrophobicContact CB-CG 4.48Å; I184-L211 HydrophobicContact CD1-CD1 4.17Å; L202-L211 HydrophobicContact CB-CD1 4.31Å; L202-L211 WeakPolarHBondContact O-CD1 3.33Å; I205-L211 HydrophobicContact CB-CB 4.35Å; I205-L211 HydrophobicContact CB-CD1 4.22Å; I205-L211 HydrophobicContact CG2-CB 3.88Å; E207-L211 WeakPolarHBondContact O-CB 3.4Å; E207-L211 PolarHBondContact O-N 3.49Å; I208-L211 PolarHBondContact O-N 3.33Å; V209-L211 VanDerWaalsContact C-N 3.3Å; V209-L211 PolarHBondContact O-N 3.14Å; L211-R213 VanDerWaalsContact C-N 3.31Å; L211-R213 PolarHBondContact O-N 3.2Å; L211-E214 PolarHBondContact O-N 2.95Å; L211-I215 HydrophobicContact CD1-CD1 3.88Å; L211-I215 HydrophobicContact CD1-CG1 4.21Å; L211-I215 HydrophobicContact CG-CD1 3.93Å; L211-I215 WeakPolarHBondContact O-CB 3.42Å; L211-I215 VanDerWaalsContact O-CG1 3.29Å; L211-I215 WeakPolarHBondContact O-CG1 3.32Å; L211-I215 PolarHBondContact O-N 3.36Å |
| 212 | F | 91.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 173 | -84.2 | -63.7 | 0 | 0 | 0 | 111.6 | W113 A130 L133 V134 I137 I176 I208 E214 I215 F216 | W113-F212 HydrophobicContact CH2-CB 4.04Å; W113-F212 HydrophobicContact CZ3-CB 3.89Å; A130-F212 HydrophobicContact CB-CE2 4.5Å; L133-F212 HydrophobicContact CB-CD1 4.37Å; L133-F212 HydrophobicContact CB-CE1 4.46Å; L133-F212 HydrophobicContact CD1-CB 4.47Å; L133-F212 HydrophobicContact CD1-CG 4.39Å; V134-F212 HydrophobicContact CG2-CE1 4.04Å; V134-F212 HydrophobicContact CG2-CZ 3.99Å; I137-F212 HydrophobicContact CD1-CD1 3.8Å; I137-F212 HydrophobicContact CD1-CE1 3.81Å; I176-F212 HydrophobicContact CG2-CE2 4.17Å; I176-F212 HydrophobicContact CG2-CZ 4.47Å; I208-F212 HydrophobicContact CG2-CD2 3.67Å; I208-F212 HydrophobicContact CG2-CE2 3.65Å; I208-F212 WeakPolarHBondContact O-CD2 3.29Å; I208-F212 PolarHBondContact O-N 2.95Å; F212-E214 PolarHBondContact O-N 3.03Å; F212-I215 PolarHBondContact O-N 3.5Å; F212-F216 WeakPolarHBondContact O-CD2 3.34Å; F212-F216 PolarHBondContact O-N 3.3Å |
| 213 | R | 92.3 | Very high | 91.3 | Very high | 143 Ų | 143 | 62.9 Ų | 62.9 | 54% | 0.54 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 179.1 | 178 | 179.5 | 166 | -178.8 | -2.1 | 112.7 | W113 V209 P210 L211 F216 S217 | W113-R213 HydrophobicContact CD2-CB 4.37Å; W113-R213 HydrophobicContact CH2-CB 4.19Å; W113-R213 HydrophobicContact CZ2-CB 3.84Å; W113-R213 HydrophobicContact CZ2-CG 4.2Å; V209-R213 WeakPolarHBondContact O-CB 3.47Å; V209-R213 PolarHBondContact O-N 3.18Å; P210-R213 PolarHBondContact O-N 2.96Å; L211-R213 VanDerWaalsContact C-N 3.31Å; L211-R213 PolarHBondContact O-N 3.2Å; R213-F216 PolarHBondContact O-N 3.46Å; R213-S217 PolarHBondContact O-N 3.37Å |
| 214 | E | 93.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 57.2 Ų | 57.2 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -77 | -28.3 | 178.6 | -63.8 | -50.2 | 132.5 | 0 | 0 | 113 | L202 I205 P210 L211 F212 S217 V218 | L202-E214 HydrophobicContact CD2-CB 3.58Å; I205-E214 HydrophobicContact CD1-CB 3.87Å; I205-E214 HydrophobicContact CD1-CG 3.91Å; P210-E214 PolarHBondContact O-N 3.32Å; L211-E214 PolarHBondContact O-N 2.95Å; F212-E214 PolarHBondContact O-N 3.03Å; E214-S217 WeakPolarHBondContact O-CB 3.45Å; E214-S217 PolarHBondContact O-N 3.11Å; E214-S217 PolarHBondContact OE2-OG 3.21Å; E214-V218 WeakPolarHBondContact O-CG2 3.2Å; E214-V218 PolarHBondContact O-N 2.63Å |
| 215 | I | 94.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.9 | -49.5 | 166.8 | -77.2 | 165.5 | 0 | 0 | 0 | 110.3 | I137 I183 I184 M187 L202 L211 F212 S217 V218 L219 | I137-I215 HydrophobicContact CD1-CG2 3.75Å; I137-I215 HydrophobicContact CG1-CG2 4.15Å; I183-I215 HydrophobicContact CG2-CD1 4.24Å; I183-I215 HydrophobicContact CG2-CG2 4.07Å; I184-I215 HydrophobicContact CG1-CD1 4.42Å; M187-I215 HydrophobicContact CE-CG2 4.47Å; M187-I215 HydrophobicContact SD-CG1 4.41Å; M187-I215 HydrophobicContact SD-CG2 3.95Å; L202-I215 HydrophobicContact CD1-CG1 4.04Å; L202-I215 HydrophobicContact CD2-CG1 4.4Å; L211-I215 HydrophobicContact CD1-CD1 3.88Å; L211-I215 HydrophobicContact CD1-CG1 4.21Å; L211-I215 HydrophobicContact CG-CD1 3.93Å; L211-I215 WeakPolarHBondContact O-CB 3.42Å; L211-I215 VanDerWaalsContact O-CG1 3.29Å; L211-I215 WeakPolarHBondContact O-CG1 3.32Å; L211-I215 PolarHBondContact O-N 3.36Å; F212-I215 PolarHBondContact O-N 3.5Å; I215-S217 VanDerWaalsContact C-N 3.35Å; I215-S217 PolarHBondContact O-N 3.38Å; I215-V218 PolarHBondContact O-N 2.9Å; I215-L219 HydrophobicContact CG2-CD1 3.76Å; I215-L219 HydrophobicContact CG2-CG 4.31Å; I215-L219 WeakPolarHBondContact O-CB 3.37Å; I215-L219 VanDerWaalsContact O-CG 3.26Å; I215-L219 WeakPolarHBondContact O-CG 3.19Å; I215-L219 PolarHBondContact O-N 3.38Å |
| 216 | F | 93.1 | Very high | 91.3 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 177 | -87 | -96.5 | 0 | 0 | 0 | 112.8 | W113 L133 E136 I137 F212 R213 L219 D220 | W113-F216 HydrophobicContact CH2-CD2 4.5Å; L133-F216 HydrophobicContact CB-CE2 4.06Å; L133-F216 HydrophobicContact CB-CZ 4.33Å; L133-F216 HydrophobicContact CD2-CD2 4.31Å; L133-F216 HydrophobicContact CD2-CE1 4.42Å; L133-F216 HydrophobicContact CD2-CE2 3.5Å; L133-F216 HydrophobicContact CD2-CZ 3.57Å; L133-F216 HydrophobicContact CG-CE2 4.34Å; E136-F216 HydrophobicContact CB-CE1 4.04Å; E136-F216 HydrophobicContact CB-CZ 3.82Å; I137-F216 HydrophobicContact CD1-CD2 4.3Å; I137-F216 HydrophobicContact CD1-CE2 3.64Å; I137-F216 HydrophobicContact CD1-CZ 4.31Å; I137-F216 HydrophobicContact CG1-CD2 4.31Å; I137-F216 HydrophobicContact CG1-CE2 3.57Å; I137-F216 HydrophobicContact CG1-CZ 3.79Å; F212-F216 WeakPolarHBondContact O-CD2 3.34Å; F212-F216 PolarHBondContact O-N 3.3Å; R213-F216 PolarHBondContact O-N 3.46Å; F216-L219 PolarHBondContact O-N 2.79Å; F216-D220 PolarHBondContact O-N 2.92Å |
| 217 | S | 92.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.9 | -49.7 | 173 | -168.1 | 0 | 0 | 0 | 0 | 111.6 | R213 E214 I215 L221 | R213-S217 PolarHBondContact O-N 3.37Å; E214-S217 WeakPolarHBondContact O-CB 3.45Å; E214-S217 PolarHBondContact O-N 3.11Å; E214-S217 PolarHBondContact OE2-OG 3.21Å; I215-S217 VanDerWaalsContact C-N 3.35Å; I215-S217 PolarHBondContact O-N 3.38Å; S217-L221 PolarHBondContact O-N 3.27Å |
| 218 | V | 93.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.5 | -37.3 | 178.2 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | M187 E198 V199 L202 E214 I215 D220 L221 M222 | M187-V218 HydrophobicContact CE-CB 3.69Å; M187-V218 HydrophobicContact CE-CG1 3.56Å; E198-V218 HydrophobicContact CB-CG2 3.97Å; V199-V218 HydrophobicContact CG2-CG1 4.06Å; L202-V218 HydrophobicContact CD1-CG2 4.37Å; L202-V218 HydrophobicContact CD2-CG2 4.34Å; E214-V218 WeakPolarHBondContact O-CG2 3.2Å; E214-V218 PolarHBondContact O-N 2.63Å; I215-V218 PolarHBondContact O-N 2.9Å; V218-D220 PolarHBondContact O-N 2.96Å; V218-L221 WeakPolarHBondContact O-CB 3.43Å; V218-L221 PolarHBondContact O-N 2.92Å; V218-M222 HydrophobicContact CG1-CG 4.41Å; V218-M222 HydrophobicContact CG1-SD 4.2Å; V218-M222 WeakPolarHBondContact O-CG 3.06Å; V218-M222 PolarHBondContact O-N 2.86Å |
| 219 | L | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 175.6 | -74.6 | 174.2 | 0 | 0 | 0 | 112.8 | I137 T140 L141 F144 M187 I215 F216 L221 M222 K223 | I137-L219 HydrophobicContact CB-CD1 4.39Å; I137-L219 HydrophobicContact CG1-CD1 3.82Å; I137-L219 HydrophobicContact CG2-CD1 4.25Å; T140-L219 HydrophobicContact CG2-CB 4.2Å; T140-L219 HydrophobicContact CG2-CD1 4.35Å; T140-L219 HydrophobicContact CG2-CD2 4.04Å; T140-L219 HydrophobicContact CG2-CG 4.43Å; L141-L219 HydrophobicContact CD2-CD2 3.93Å; F144-L219 HydrophobicContact CE2-CD2 3.94Å; F144-L219 HydrophobicContact CZ-CD2 4.46Å; M187-L219 HydrophobicContact CE-CD2 4.03Å; M187-L219 HydrophobicContact CE-CG 3.88Å; M187-L219 HydrophobicContact CG-CD2 3.89Å; M187-L219 HydrophobicContact SD-CD2 4.05Å; M187-L219 HydrophobicContact SD-CG 4.14Å; I215-L219 HydrophobicContact CG2-CD1 3.76Å; I215-L219 HydrophobicContact CG2-CG 4.31Å; I215-L219 WeakPolarHBondContact O-CB 3.37Å; I215-L219 VanDerWaalsContact O-CG 3.26Å; I215-L219 WeakPolarHBondContact O-CG 3.19Å; I215-L219 PolarHBondContact O-N 3.38Å; F216-L219 PolarHBondContact O-N 2.79Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-M222 HydrophobicContact CD2-SD 4.11Å; L219-M222 PolarHBondContact O-N 2.99Å; L219-K223 WeakPolarHBondContact O-CG 3.47Å; L219-K223 PolarHBondContact O-N 3.4Å |
| 220 | D | 91.5 | Very high | 91.5 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.5 | -34 | 174.6 | -87.4 | -0.8 | 0 | 0 | 0 | 112.1 | F216 V218 K223 V224 | F216-D220 PolarHBondContact O-N 2.92Å; V218-D220 PolarHBondContact O-N 2.96Å; D220-K223 WeakPolarHBondContact OD1-CE 3.32Å; D220-K223 IonicContact OD1-NZ 3.75Å; D220-K223 PolarHBondContact OD1-NZ 2.9Å; D220-V224 PolarHBondContact O-N 2.82Å |
| 221 | L | 91.3 | Very high | 91.4 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.9 | -44.5 | 169.5 | -66 | 170.7 | 0 | 0 | 0 | 111.4 | S217 V218 L219 K223 V224 D225 | S217-L221 PolarHBondContact O-N 3.27Å; V218-L221 WeakPolarHBondContact O-CB 3.43Å; V218-L221 PolarHBondContact O-N 2.92Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L221-K223 VanDerWaalsContact C-N 3.28Å; L221-K223 PolarHBondContact O-N 3.15Å; L221-V224 WeakPolarHBondContact O-CB 3.5Å; L221-V224 PolarHBondContact O-N 2.94Å; L221-D225 VanDerWaalsContact O-CG 3.27Å; L221-D225 PolarHBondContact O-N 3.31Å |
| 222 | M | 92.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -34.9 | 176.4 | -71 | 173.2 | 67.6 | 0 | 0 | 112.7 | F144 M187 L190 C191 V218 L219 V224 D225 M226 | F144-M222 HydrophobicContact CD2-CE 4Å; F144-M222 HydrophobicContact CE2-CB 3.91Å; F144-M222 HydrophobicContact CE2-CE 3.73Å; F144-M222 HydrophobicContact CE2-SD 4.46Å; F144-M222 HydrophobicContact CZ-CB 3.76Å; M187-M222 HydrophobicContact CB-CE 4.44Å; M187-M222 HydrophobicContact CB-SD 4.16Å; M187-M222 HydrophobicContact CE-SD 4.15Å; M187-M222 HydrophobicContact CG-SD 4.22Å; L190-M222 HydrophobicContact CB-CE 3.99Å; C191-M222 HydrophobicContact CB-CE 3.92Å; C191-M222 HydrophobicContact CB-CG 4.22Å; C191-M222 HydrophobicContact CB-SD 4.09Å; V218-M222 HydrophobicContact CG1-CG 4.41Å; V218-M222 HydrophobicContact CG1-SD 4.2Å; V218-M222 WeakPolarHBondContact O-CG 3.06Å; V218-M222 PolarHBondContact O-N 2.86Å; L219-M222 HydrophobicContact CD2-SD 4.11Å; L219-M222 PolarHBondContact O-N 2.99Å; M222-V224 VanDerWaalsContact C-N 3.33Å; M222-V224 PolarHBondContact O-N 2.91Å; M222-D225 PolarHBondContact O-N 3.04Å; M222-M226 VanDerWaalsContact O-CB 3.25Å; M222-M226 WeakPolarHBondContact O-CB 3.35Å; M222-M226 WeakPolarHBondContact O-CG 3.49Å; M222-M226 PolarHBondContact O-N 2.84Å |
| 223 | K | 91.1 | Very high | 91 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 172.5 | -70.8 | 165.9 | -160.8 | 166.3 | 0 | 111.8 | T140 F144 L219 D220 L221 A227 | T140-K223 HydrophobicContact CG2-CG 4.46Å; F144-K223 HydrophobicContact CE1-CB 4.4Å; F144-K223 HydrophobicContact CE1-CG 3.75Å; F144-K223 HydrophobicContact CZ-CG 3.92Å; L219-K223 WeakPolarHBondContact O-CG 3.47Å; L219-K223 PolarHBondContact O-N 3.4Å; D220-K223 WeakPolarHBondContact OD1-CE 3.32Å; D220-K223 IonicContact OD1-NZ 3.75Å; D220-K223 PolarHBondContact OD1-NZ 2.9Å; L221-K223 VanDerWaalsContact C-N 3.28Å; L221-K223 PolarHBondContact O-N 3.15Å; K223-A227 WeakPolarHBondContact O-CB 3.36Å; K223-A227 PolarHBondContact O-N 3.14Å |
| 224 | V | 91.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 15% | 0.152 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.8 | -46.2 | 177.8 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | I90 P92 D220 L221 M222 M226 A227 N228 | I90-V224 HydrophobicContact CG2-CG1 4.46Å; I90-V224 VanDerWaalsContact O-CG1 3.24Å; I90-V224 WeakPolarHBondContact O-CG1 3.5Å; P92-V224 HydrophobicContact CG-CG2 4.46Å; D220-V224 PolarHBondContact O-N 2.82Å; L221-V224 WeakPolarHBondContact O-CB 3.5Å; L221-V224 PolarHBondContact O-N 2.94Å; M222-V224 VanDerWaalsContact C-N 3.33Å; M222-V224 PolarHBondContact O-N 2.91Å; V224-M226 VanDerWaalsContact C-N 3.32Å; V224-M226 PolarHBondContact O-N 3.42Å; V224-A227 PolarHBondContact O-N 2.63Å; V224-N228 WeakPolarHBondContact O-CB 3.34Å; V224-N228 PolarHBondContact O-N 3.41Å; V224-N228 PolarHBondContact O-ND2 3.26Å |
| 225 | D | 90.8 | Very high | 90.4 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 177.6 | -60.4 | -21.5 | 0 | 0 | 0 | 111.2 | R195 L221 M222 N228 F229 | R195-D225 WeakPolarHBondContact CG-OD2 3.34Å; R195-D225 IonicContact CZ-OD1 3.52Å; R195-D225 IonicContact CZ-OD2 3.63Å; R195-D225 IonicContact NE-OD1 2.84Å; R195-D225 IonicContact NE-OD2 3.01Å; R195-D225 PolarHBondContact NE-OD2 3.46Å; R195-D225 IonicContact NH2-OD1 3.33Å; R195-D225 PolarHBondContact NH2-OD1 3.4Å; R195-D225 IonicContact NH2-OD2 3.07Å; R195-D225 PolarHBondContact NH2-OD2 3.17Å; L221-D225 VanDerWaalsContact O-CG 3.27Å; L221-D225 PolarHBondContact O-N 3.31Å; M222-D225 PolarHBondContact O-N 3.04Å; D225-N228 PolarHBondContact O-N 2.93Å; D225-F229 WeakPolarHBondContact O-CB 3.34Å; D225-F229 PolarHBondContact O-N 3.32Å |
| 226 | M | 88.8 | Confident | 90.2 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 28% | 0.276 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 177.7 | -72.6 | -91 | 71.7 | 0 | 0 | 113 | F144 M222 V224 N228 F229 A230 | F144-M226 HydrophobicContact CB-CG 4.47Å; F144-M226 HydrophobicContact CB-SD 3.97Å; F144-M226 HydrophobicContact CD1-CB 4.28Å; F144-M226 HydrophobicContact CD1-CG 3.83Å; F144-M226 HydrophobicContact CD1-SD 4.42Å; F144-M226 HydrophobicContact CE1-CG 4.27Å; F144-M226 HydrophobicContact CG-CG 4.15Å; F144-M226 HydrophobicContact CG-SD 4.3Å; M222-M226 VanDerWaalsContact O-CB 3.25Å; M222-M226 WeakPolarHBondContact O-CB 3.35Å; M222-M226 WeakPolarHBondContact O-CG 3.49Å; M222-M226 PolarHBondContact O-N 2.84Å; V224-M226 VanDerWaalsContact C-N 3.32Å; V224-M226 PolarHBondContact O-N 3.42Å; M226-N228 VanDerWaalsContact C-N 3.34Å; M226-F229 HydrophobicContact CE-CB 4.11Å; M226-F229 HydrophobicContact CE-CD1 3.91Å; M226-F229 HydrophobicContact CE-CG 4.15Å; M226-F229 PolarHBondContact O-N 3.44Å; M226-A230 WeakPolarHBondContact O-CB 3.48Å; M226-A230 PolarHBondContact O-N 2.94Å |
| 227 | A | 89.4 | Confident | 90 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I90 K223 V224 A230 I231 | I90-A227 HydrophobicContact CD1-CB 3.81Å; K223-A227 WeakPolarHBondContact O-CB 3.36Å; K223-A227 PolarHBondContact O-N 3.14Å; V224-A227 PolarHBondContact O-N 2.63Å; A227-A230 PolarHBondContact O-N 2.86Å; A227-I231 WeakPolarHBondContact O-CG1 3.48Å; A227-I231 PolarHBondContact O-N 2.96Å |
| 228 | N | 90.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 50 Ų | 50 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -36.4 | 174.6 | -73.5 | -31.5 | 0 | 0 | 0 | 112.8 | Q89 I90 V224 D225 M226 S232 | Q89-N228 VanDerWaalsContact CA-OD1 3.31Å; Q89-N228 WeakPolarHBondContact CA-OD1 3.11Å; I90-N228 PolarHBondContact N-OD1 3Å; I90-N228 PolarHBondContact O-ND2 3.3Å; V224-N228 WeakPolarHBondContact O-CB 3.34Å; V224-N228 PolarHBondContact O-N 3.41Å; V224-N228 PolarHBondContact O-ND2 3.26Å; D225-N228 PolarHBondContact O-N 2.93Å; M226-N228 VanDerWaalsContact C-N 3.34Å; N228-S232 WeakPolarHBondContact O-CB 3.48Å; N228-S232 PolarHBondContact O-N 3.23Å; N228-S232 PolarHBondContact O-OG 3.34Å |
| 229 | F | 88.3 | Confident | 89.3 | Confident | 121 Ų | 121 | 55 Ų | 55 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 170.7 | 177.2 | -98.5 | 0 | 0 | 0 | 112.2 | D225 M226 S232 S233 | D225-F229 WeakPolarHBondContact O-CB 3.34Å; D225-F229 PolarHBondContact O-N 3.32Å; M226-F229 HydrophobicContact CE-CB 4.11Å; M226-F229 HydrophobicContact CE-CD1 3.91Å; M226-F229 HydrophobicContact CE-CG 4.15Å; M226-F229 PolarHBondContact O-N 3.44Å; F229-S232 PolarHBondContact O-N 3.29Å; F229-S233 WeakPolarHBondContact O-CB 3.37Å; F229-S233 PolarHBondContact O-N 3.19Å; F229-S233 PolarHBondContact O-OG 2.74Å |
| 230 | A | 88.4 | Confident | 89.1 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | M226 A227 S232 S233 I234 | M226-A230 WeakPolarHBondContact O-CB 3.48Å; M226-A230 PolarHBondContact O-N 2.94Å; A227-A230 PolarHBondContact O-N 2.86Å; A230-S232 VanDerWaalsContact C-N 3.35Å; A230-S232 PolarHBondContact O-N 3.04Å; A230-S233 PolarHBondContact O-N 2.93Å; A230-I234 WeakPolarHBondContact O-CG2 3.19Å; A230-I234 PolarHBondContact O-N 3.24Å |
| 231 | I | 89.2 | Confident | 89 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 172.7 | -73.3 | 161.4 | 0 | 0 | 0 | 110.7 | I82 F88 I90 A227 S233 I234 R235 | I82-I231 HydrophobicContact CD1-CG1 4.49Å; I82-I231 HydrophobicContact CG1-CG2 4.22Å; I82-I231 HydrophobicContact CG2-CG2 4.01Å; F88-I231 HydrophobicContact CD1-CD1 4.31Å; F88-I231 HydrophobicContact CD1-CG2 4.11Å; F88-I231 HydrophobicContact CE1-CD1 3.8Å; I90-I231 HydrophobicContact CD1-CD1 3.62Å; I90-I231 HydrophobicContact CG1-CD1 3.81Å; A227-I231 WeakPolarHBondContact O-CG1 3.48Å; A227-I231 PolarHBondContact O-N 2.96Å; I231-S233 VanDerWaalsContact C-N 3.28Å; I231-S233 PolarHBondContact O-N 2.93Å; I231-I234 PolarHBondContact O-N 3.36Å; I231-R235 WeakPolarHBondContact O-CB 3.2Å; I231-R235 PolarHBondContact O-N 3.4Å |
| 232 | S | 88.1 | Confident | 88.9 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | -179.8 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | N228 F229 A230 | N228-S232 WeakPolarHBondContact O-CB 3.48Å; N228-S232 PolarHBondContact O-N 3.23Å; N228-S232 PolarHBondContact O-OG 3.34Å; F229-S232 PolarHBondContact O-N 3.29Å; A230-S232 VanDerWaalsContact C-N 3.35Å; A230-S232 PolarHBondContact O-N 3.04Å |
| 233 | S | 87.2 | Confident | 88.9 | Confident | 59 Ų | 59 | 63 Ų | 63 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -75.5 | -35.8 | 179.6 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | F229 A230 I231 | F229-S233 WeakPolarHBondContact O-CB 3.37Å; F229-S233 PolarHBondContact O-N 3.19Å; F229-S233 PolarHBondContact O-OG 2.74Å; A230-S233 PolarHBondContact O-N 2.93Å; I231-S233 VanDerWaalsContact C-N 3.28Å; I231-S233 PolarHBondContact O-N 2.93Å |
| 234 | I | 86.4 | Confident | 88.9 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -87.2 | -23.5 | -179.2 | -159.5 | 63.7 | 0 | 0 | 0 | 113.2 | A230 I231 P236 H237 L238 | A230-I234 WeakPolarHBondContact O-CG2 3.19Å; A230-I234 PolarHBondContact O-N 3.24Å; I231-I234 PolarHBondContact O-N 3.36Å; I234-P236 VanDerWaalsContact C-CD 3.49Å; I234-H237 HydrophobicContact CD1-CB 4.23Å; I234-H237 WeakPolarHBondContact O-CB 3.12Å; I234-H237 PolarHBondContact O-N 3.47Å; I234-L238 HydrophobicContact CG1-CG 4.3Å; I234-L238 HydrophobicContact CG2-CD1 3.93Å; I234-L238 HydrophobicContact CG2-CG 4.45Å; I234-L238 PolarHBondContact O-N 3.31Å |
| 235 | R | 88.5 | Confident | 88.9 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 15% | 0.151 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -48.2 | -46.2 | -180 | 175.9 | -177.6 | -78 | 147.8 | -7.3 | 113.8 | I82 N85 G86 F88 I231 H237 L238 M239 | I82-R235 HydrophobicContact CG2-CB 4.07Å; I82-R235 HydrophobicContact CG2-CG 4.32Å; I82-R235 PolarHBondContact O-NE 3.41Å; I82-R235 PolarHBondContact O-NH2 2.86Å; N85-R235 PolarHBondContact O-NH2 2.86Å; G86-R235 PolarHBondContact O-NH1 2.99Å; G86-R235 PolarHBondContact O-NH2 3.43Å; G86-R235 VanDerWaalsContact O-NH2 3.16Å; F88-R235 PolarHBondContact O-NH2 2.91Å; I231-R235 WeakPolarHBondContact O-CB 3.2Å; I231-R235 PolarHBondContact O-N 3.4Å; R235-H237 PolarHBondContact O-N 3.04Å; R235-L238 PolarHBondContact O-N 2.96Å; R235-M239 HydrophobicContact CG-CG 4.2Å; R235-M239 HydrophobicContact CG-SD 4Å; R235-M239 VanDerWaalsContact O-CG 3.3Å; R235-M239 WeakPolarHBondContact O-CG 3.23Å; R235-M239 PolarHBondContact O-N 3.44Å |
| 236 | P | 89.1 | Confident | 89 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -30.1 | 178.3 | -24.4 | 35.4 | 0 | 0 | 0 | 114.1 | I234 Q240 | I234-P236 VanDerWaalsContact C-CD 3.49Å; P236-Q240 WeakPolarHBondContact O-CG 3.44Å; P236-Q240 PolarHBondContact O-NE2 3.03Å |
| 237 | H | 87.9 | Confident | 89.1 | Confident | 112 Ų | 112 | 66.1 Ų | 66.1 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -80.7 | -39.3 | 176 | -62.1 | -72.4 | 0 | 0 | 0 | 111.7 | I234 R235 M239 Q240 | I234-H237 HydrophobicContact CD1-CB 4.23Å; I234-H237 WeakPolarHBondContact O-CB 3.12Å; I234-H237 PolarHBondContact O-N 3.47Å; R235-H237 PolarHBondContact O-N 3.04Å; H237-M239 PolarHBondContact O-N 3.48Å; H237-Q240 PolarHBondContact O-N 2.85Å |
| 238 | L | 86.8 | Confident | 89.3 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 172.6 | -69.4 | 174.5 | 0 | 0 | 0 | 111.3 | I82 V83 I234 R235 Q240 Q241 S242 | I82-L238 HydrophobicContact CB-CD1 4.16Å; I82-L238 HydrophobicContact CD1-CD1 4.15Å; I82-L238 HydrophobicContact CG2-CD1 3.67Å; V83-L238 HydrophobicContact CG2-CB 3.82Å; I234-L238 HydrophobicContact CG1-CG 4.3Å; I234-L238 HydrophobicContact CG2-CD1 3.93Å; I234-L238 HydrophobicContact CG2-CG 4.45Å; I234-L238 PolarHBondContact O-N 3.31Å; R235-L238 PolarHBondContact O-N 2.96Å; L238-Q240 PolarHBondContact O-N 3.14Å; L238-Q240 VanDerWaalsContact O-N 3.08Å; L238-Q241 PolarHBondContact O-N 3.48Å; L238-S242 VanDerWaalsContact O-CB 3.25Å; L238-S242 WeakPolarHBondContact O-CB 3.13Å; L238-S242 PolarHBondContact O-N 3.22Å |
| 239 | M | 85.8 | Confident | 89.2 | Confident | 113 Ų | 113 | 72.3 Ų | 72.3 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -20.8 | 177.8 | -69.6 | -178.2 | 80.7 | 0 | 0 | 114 | V83 R235 H237 | V83-M239 HydrophobicContact CG1-CG 4.15Å; V83-M239 HydrophobicContact CG2-CG 4.05Å; R235-M239 HydrophobicContact CG-CG 4.2Å; R235-M239 HydrophobicContact CG-SD 4Å; R235-M239 VanDerWaalsContact O-CG 3.3Å; R235-M239 WeakPolarHBondContact O-CG 3.23Å; R235-M239 PolarHBondContact O-N 3.44Å; H237-M239 PolarHBondContact O-N 3.48Å |
| 240 | Q | 87.9 | Confident | 89.3 | Confident | 140 Ų | 140 | 67.4 Ų | 67.4 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -13.2 | 176.9 | -69 | 171.4 | 19.1 | 0 | 0 | 113.8 | P236 H237 L238 | P236-Q240 WeakPolarHBondContact O-CG 3.44Å; P236-Q240 PolarHBondContact O-NE2 3.03Å; H237-Q240 PolarHBondContact O-N 2.85Å; L238-Q240 PolarHBondContact O-N 3.14Å; L238-Q240 VanDerWaalsContact O-N 3.08Å |
| 241 | Q | 89 | Confident | 89.4 | Confident | 140 Ų | 140 | 68 Ų | 68 | 65% | 0.654 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.8 | -8.4 | -171.4 | -62.9 | -171.9 | -18.4 | 0 | 0 | 114.1 | L238 V243 E244 Y245 | L238-Q241 PolarHBondContact O-N 3.48Å; Q241-V243 VanDerWaalsContact C-N 3.32Å; Q241-V243 PolarHBondContact O-N 2.86Å; Q241-E244 PolarHBondContact O-N 3.25Å; Q241-Y245 WeakPolarHBondContact O-CB 3.38Å; Q241-Y245 PolarHBondContact O-N 3.05Å |
| 242 | S | 90.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | -174.1 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | L238 E244 Y245 E246 Y489 | L238-S242 VanDerWaalsContact O-CB 3.25Å; L238-S242 WeakPolarHBondContact O-CB 3.13Å; L238-S242 PolarHBondContact O-N 3.22Å; S242-E244 PolarHBondContact O-N 2.71Å; S242-Y245 PolarHBondContact O-N 2.89Å; S242-E246 WeakPolarHBondContact O-CB 3.15Å; S242-E246 PolarHBondContact O-N 2.92Å; S242-Y489 WeakPolarHBondContact CB-OH 3.41Å; S242-Y489 PolarHBondContact OG-OH 2.95Å |
| 243 | V | 91.6 | Very high | 89.2 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 9% | 0.085 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 178.9 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | Q241 R247 Y489 M492 V493 | Q241-V243 VanDerWaalsContact C-N 3.32Å; Q241-V243 PolarHBondContact O-N 2.86Å; V243-R247 WeakPolarHBondContact O-CB 3.31Å; V243-R247 PolarHBondContact O-N 3.36Å; V243-Y489 HydrophobicContact CG2-CE2 4.05Å; V243-M492 HydrophobicContact CG1-CB 4.36Å; V243-M492 WeakPolarHBondContact CG1-O 3.33Å; V243-M492 HydrophobicContact CG2-CB 4.12Å; V243-M492 HydrophobicContact CG2-CE 4.34Å; V243-V493 HydrophobicContact CG2-CG2 4.43Å |
| 244 | E | 91.9 | Very high | 89.1 | Confident | 106 Ų | 106 | 67.7 Ų | 67.7 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 176.9 | -76.7 | 52.5 | -120.2 | 0 | 0 | 111.9 | Q241 S242 R247 K248 | Q241-E244 PolarHBondContact O-N 3.25Å; S242-E244 PolarHBondContact O-N 2.71Å; E244-R247 IonicContact OE1-CZ 2.63Å; E244-R247 IonicContact OE1-NH1 3.37Å; E244-R247 PolarHBondContact OE1-NH1 3.44Å; E244-R247 IonicContact OE1-NH2 2.73Å; E244-K248 WeakPolarHBondContact O-CB 3.43Å; E244-K248 PolarHBondContact O-N 2.91Å |
| 245 | Y | 90.5 | Very high | 89.1 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 34% | 0.337 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.3 | -50.1 | 178.8 | 176.3 | -106.4 | 0 | 0 | 0 | 112.4 | A79 Q241 S242 K248 K249 | A79-Y245 HydrophobicContact CB-CD1 4.25Å; A79-Y245 HydrophobicContact CB-CE1 3.97Å; Q241-Y245 WeakPolarHBondContact O-CB 3.38Å; Q241-Y245 PolarHBondContact O-N 3.05Å; S242-Y245 PolarHBondContact O-N 2.89Å; Y245-K248 PolarHBondContact O-N 3.47Å; Y245-K249 HydrophobicContact CE1-CG 4.46Å; Y245-K249 HydrophobicContact CE2-CG 4.11Å; Y245-K249 PolarHBondContact O-N 3.17Å |
| 246 | E | 92.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 179.7 | -166.7 | 176.2 | 149.4 | 0 | 0 | 110.6 | M76 H80 S242 K248 K249 F250 M328 Y489 V493 | M76-E246 HydrophobicContact CG-CG 4.11Å; M76-E246 HydrophobicContact SD-CG 4.21Å; H80-E246 IonicContact CE1-OE1 2.72Å; H80-E246 IonicContact CG-OE2 2.87Å; H80-E246 IonicContact ND1-OE1 3.56Å; H80-E246 PolarHBondContact ND1-OE1 2.87Å; H80-E246 IonicContact ND1-OE2 3.87Å; H80-E246 PolarHBondContact ND1-OE2 3.32Å; S242-E246 WeakPolarHBondContact O-CB 3.15Å; S242-E246 PolarHBondContact O-N 2.92Å; E246-K248 VanDerWaalsContact C-N 3.33Å; E246-K248 PolarHBondContact O-N 2.95Å; E246-K249 PolarHBondContact O-N 3.44Å; E246-F250 WeakPolarHBondContact O-CB 3.39Å; E246-F250 PolarHBondContact O-N 3.42Å; E246-M328 HydrophobicContact CG-CE 4.05Å; E246-M328 WeakPolarHBondContact OE1-CE 3.48Å; E246-Y489 VanDerWaalsContact OE2-CE1 3.23Å; E246-Y489 WeakPolarHBondContact OE2-CE1 3.46Å; E246-Y489 PolarHBondContact OE2-OH 3.24Å; E246-V493 HydrophobicContact CB-CG1 4Å; E246-V493 HydrophobicContact CB-CG2 4.38Å; E246-V493 HydrophobicContact CG-CG1 3.89Å; E246-V493 HydrophobicContact CG-CG2 4.4Å |
| 247 | R | 92.6 | Very high | 88.3 | Confident | 65 Ų | 65 | 75.9 Ų | 75.9 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 174 | -170.6 | -170.1 | -60.5 | 128.5 | -2.5 | 111.7 | V243 E244 Q251 M492 V493 Y497 | V243-R247 WeakPolarHBondContact O-CB 3.31Å; V243-R247 PolarHBondContact O-N 3.36Å; E244-R247 IonicContact OE1-CZ 2.63Å; E244-R247 IonicContact OE1-NH1 3.37Å; E244-R247 PolarHBondContact OE1-NH1 3.44Å; E244-R247 IonicContact OE1-NH2 2.73Å; R247-Q251 WeakPolarHBondContact O-CB 3.48Å; R247-Q251 PolarHBondContact O-N 3.14Å; R247-M492 PolarHBondContact NH2-O 3.31Å; R247-V493 HydrophobicContact CB-CG1 4.17Å; R247-V493 PolarHBondContact NE-O 2.86Å; R247-Y497 HydrophobicContact CG-CE2 4.24Å; R247-Y497 PolarHBondContact O-OH 3.43Å |
| 248 | K | 92 | Very high | 87.2 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 58% | 0.578 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65 | -46.1 | 175.7 | -179.5 | -179.3 | 175.7 | -175.5 | 0 | 111.6 | E244 Y245 E246 F250 Q251 E252 | E244-K248 WeakPolarHBondContact O-CB 3.43Å; E244-K248 PolarHBondContact O-N 2.91Å; Y245-K248 PolarHBondContact O-N 3.47Å; E246-K248 VanDerWaalsContact C-N 3.33Å; E246-K248 PolarHBondContact O-N 2.95Å; K248-F250 VanDerWaalsContact C-N 3.34Å; K248-F250 PolarHBondContact O-N 3.03Å; K248-Q251 WeakPolarHBondContact O-CB 3.47Å; K248-Q251 PolarHBondContact O-N 3.31Å; K248-E252 VanDerWaalsContact CE-OE1 3.25Å; K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 WeakPolarHBondContact O-CG 3.33Å; K248-E252 PolarHBondContact O-N 3.32Å |
| 249 | K | 89.9 | Confident | 86.2 | Confident | 50 Ų | 50 | 79 Ų | 79 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 179.3 | -73.5 | -45.4 | -166.3 | -172.3 | 0 | 112.8 | M76 Y245 E246 E252 I253 | M76-K249 HydrophobicContact CB-CB 4.47Å; M76-K249 HydrophobicContact CG-CB 4.19Å; M76-K249 HydrophobicContact SD-CB 3.49Å; M76-K249 WeakPolarHBondContact SD-CB 3.26Å; Y245-K249 HydrophobicContact CE1-CG 4.46Å; Y245-K249 HydrophobicContact CE2-CG 4.11Å; Y245-K249 PolarHBondContact O-N 3.17Å; E246-K249 PolarHBondContact O-N 3.44Å; K249-E252 WeakPolarHBondContact CD-OE1 3.39Å; K249-E252 VanDerWaalsContact CD-OE2 3.31Å; K249-E252 WeakPolarHBondContact CD-OE2 3.17Å; K249-E252 IonicContact NZ-OE1 3.79Å; K249-E252 PolarHBondContact NZ-OE1 3.24Å; K249-E252 IonicContact NZ-OE2 3.8Å; K249-E252 PolarHBondContact NZ-OE2 2.95Å; K249-E252 PolarHBondContact O-N 2.98Å; K249-I253 WeakPolarHBondContact O-CD1 3.11Å; K249-I253 WeakPolarHBondContact O-CG1 3.4Å; K249-I253 PolarHBondContact O-N 3.46Å |
| 250 | F | 89.9 | Confident | 85.7 | Confident | 18 Ų | 18 | 74.6 Ų | 74.6 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 169.8 | -167.5 | -91.6 | 0 | 0 | 0 | 112.3 | E246 K248 E252 I253 L254 L261 T325 F494 Y497 | E246-F250 WeakPolarHBondContact O-CB 3.39Å; E246-F250 PolarHBondContact O-N 3.42Å; K248-F250 VanDerWaalsContact C-N 3.34Å; K248-F250 PolarHBondContact O-N 3.03Å; F250-E252 PolarHBondContact O-N 3.36Å; F250-I253 WeakPolarHBondContact O-CB 3.25Å; F250-I253 PolarHBondContact O-N 2.84Å; F250-I253 VanDerWaalsContact O-N 3.13Å; F250-L254 WeakPolarHBondContact O-CB 3.26Å; F250-L254 PolarHBondContact O-N 3.27Å; F250-L261 HydrophobicContact CE1-CD2 4.04Å; F250-L261 HydrophobicContact CZ-CD2 3.9Å; F250-T325 HydrophobicContact CE1-CG2 4.36Å; F250-T325 HydrophobicContact CE2-CG2 4.31Å; F250-T325 HydrophobicContact CZ-CG2 3.86Å; F250-F494 HydrophobicContact CB-CE1 3.95Å; F250-F494 HydrophobicContact CD1-CD1 4.32Å; F250-F494 HydrophobicContact CD1-CE1 4.06Å; F250-F494 AromaticContact CD2-CE1 3.61Å; F250-F494 HydrophobicContact CD2-CE1 3.61Å; F250-F494 HydrophobicContact CD2-CZ 4.25Å; F250-F494 HydrophobicContact CE1-CE1 4.48Å; F250-F494 HydrophobicContact CE2-CE1 4.07Å; F250-F494 HydrophobicContact CG-CD1 4.3Å; F250-F494 AromaticContact CG-CE1 3.6Å; F250-F494 HydrophobicContact CG-CE1 3.6Å; F250-F494 HydrophobicContact CZ-CE1 4.48Å; F250-Y497 HydrophobicContact CD1-CD2 4.4Å; F250-Y497 HydrophobicContact CD1-CE1 4.33Å; F250-Y497 AromaticContact CD1-CE2 3.77Å; F250-Y497 HydrophobicContact CD1-CE2 3.77Å; F250-Y497 AromaticContact CD1-CZ 3.73Å; F250-Y497 HydrophobicContact CE1-CD2 4.43Å; F250-Y497 HydrophobicContact CE1-CE2 4.23Å |
| 251 | Q | 89.8 | Confident | 85.6 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.8 | -178.8 | 62.7 | 28.8 | 0 | 0 | 112.1 | R247 K248 I253 L254 E255 Y497 | R247-Q251 WeakPolarHBondContact O-CB 3.48Å; R247-Q251 PolarHBondContact O-N 3.14Å; K248-Q251 WeakPolarHBondContact O-CB 3.47Å; K248-Q251 PolarHBondContact O-N 3.31Å; Q251-I253 PolarHBondContact O-N 2.9Å; Q251-L254 PolarHBondContact O-N 2.65Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.45Å; Q251-E255 PolarHBondContact NE2-OE1 3.45Å; Q251-E255 WeakPolarHBondContact O-CG 3.24Å; Q251-E255 PolarHBondContact O-N 2.88Å; Q251-Y497 PolarHBondContact OE1-OH 2.92Å |
| 252 | E | 89 | Confident | 85.6 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -26.5 | 174.4 | -71.5 | 176.4 | -153.1 | 0 | 0 | 113.1 | K248 K249 F250 R256 | K248-E252 VanDerWaalsContact CE-OE1 3.25Å; K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 WeakPolarHBondContact O-CG 3.33Å; K248-E252 PolarHBondContact O-N 3.32Å; K249-E252 WeakPolarHBondContact CD-OE1 3.39Å; K249-E252 VanDerWaalsContact CD-OE2 3.31Å; K249-E252 WeakPolarHBondContact CD-OE2 3.17Å; K249-E252 IonicContact NZ-OE1 3.79Å; K249-E252 PolarHBondContact NZ-OE1 3.24Å; K249-E252 IonicContact NZ-OE2 3.8Å; K249-E252 PolarHBondContact NZ-OE2 2.95Å; K249-E252 PolarHBondContact O-N 2.98Å; F250-E252 PolarHBondContact O-N 3.36Å; E252-R256 WeakPolarHBondContact O-CD 3.31Å; E252-R256 WeakPolarHBondContact O-CG 3.48Å; E252-R256 PolarHBondContact O-NE 2.95Å |
| 253 | I | 84.9 | Confident | 85.5 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 26% | 0.256 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -82.4 | -44.5 | 174.7 | -65.8 | 162.6 | 0 | 0 | 0 | 110.6 | V73 M76 K249 F250 Q251 E255 R256 Q257 | V73-I253 HydrophobicContact CG2-CD1 3.94Å; M76-I253 HydrophobicContact CE-CD1 4.36Å; K249-I253 WeakPolarHBondContact O-CD1 3.11Å; K249-I253 WeakPolarHBondContact O-CG1 3.4Å; K249-I253 PolarHBondContact O-N 3.46Å; F250-I253 WeakPolarHBondContact O-CB 3.25Å; F250-I253 PolarHBondContact O-N 2.84Å; F250-I253 VanDerWaalsContact O-N 3.13Å; Q251-I253 PolarHBondContact O-N 2.9Å; I253-E255 VanDerWaalsContact C-N 3.3Å; I253-E255 PolarHBondContact O-N 2.88Å; I253-R256 WeakPolarHBondContact O-CA 3.49Å; I253-R256 WeakPolarHBondContact O-CB 3.37Å; I253-R256 PolarHBondContact O-N 3.42Å; I253-Q257 PolarHBondContact O-N 3Å; I253-Q257 VanDerWaalsContact O-N 3.08Å |
| 254 | L | 85.1 | Confident | 85.6 | Confident | 26 Ų | 26 | 71 Ų | 71 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 178.7 | -173.3 | 65.5 | 0 | 0 | 0 | 112.1 | F250 Q251 R256 Q257 S260 L261 Y497 | F250-L254 WeakPolarHBondContact O-CB 3.26Å; F250-L254 PolarHBondContact O-N 3.27Å; Q251-L254 PolarHBondContact O-N 2.65Å; L254-R256 PolarHBondContact O-N 2.76Å; L254-Q257 CarbonylContact O-C 3.52Å; L254-Q257 PolarHBondContact O-N 2.8Å; L254-Q257 VanDerWaalsContact O-N 3.15Å; L254-S260 WeakPolarHBondContact CD1-OG 3.26Å; L254-L261 HydrophobicContact CD1-CD1 3.92Å; L254-L261 HydrophobicContact CD1-CG 3.97Å; L254-L261 HydrophobicContact CD2-CD1 4.15Å; L254-Y497 HydrophobicContact CD2-CD1 4.11Å; L254-Y497 HydrophobicContact CD2-CE1 3.74Å |
| 255 | E | 86.5 | Confident | 85.6 | Confident | 128 Ų | 128 | 67.9 Ų | 67.9 | 60% | 0.598 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.4 | 174.8 | -74.2 | 173.1 | -164.9 | 0 | 0 | 113.5 | Q251 I253 | Q251-E255 WeakPolarHBondContact CG-OE1 3.45Å; Q251-E255 PolarHBondContact NE2-OE1 3.45Å; Q251-E255 WeakPolarHBondContact O-CG 3.24Å; Q251-E255 PolarHBondContact O-N 2.88Å; I253-E255 VanDerWaalsContact C-N 3.3Å; I253-E255 PolarHBondContact O-N 2.88Å |
| 256 | R | 83.4 | Confident | 85.7 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 42% | 0.415 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -24.4 | 173.3 | -62.5 | 174.1 | -169.3 | -138.1 | -9.6 | 112.1 | E65 T69 E252 I253 L254 | E65-R256 VanDerWaalsContact CG-NH1 3.3Å; E65-R256 IonicContact OE1-CZ 3.34Å; E65-R256 IonicContact OE1-NH1 2.74Å; E65-R256 PolarHBondContact OE1-NH1 3.21Å; T69-R256 PolarHBondContact OG1-NH1 2.79Å; E252-R256 WeakPolarHBondContact O-CD 3.31Å; E252-R256 WeakPolarHBondContact O-CG 3.48Å; E252-R256 PolarHBondContact O-NE 2.95Å; I253-R256 WeakPolarHBondContact O-CA 3.49Å; I253-R256 WeakPolarHBondContact O-CB 3.37Å; I253-R256 PolarHBondContact O-N 3.42Å; L254-R256 PolarHBondContact O-N 2.76Å |
| 257 | Q | 76.8 | Confident | 85.7 | Confident | 123 Ų | 123 | 68.6 Ų | 68.6 | 58% | 0.575 | 33% | 0.332 | S | S | * | . | trans | -137.1 | 82.7 | -179.8 | -63 | -171 | 4.2 | 0 | 0 | 111.8 | I253 L254 N259 S260 | I253-Q257 PolarHBondContact O-N 3Å; I253-Q257 VanDerWaalsContact O-N 3.08Å; L254-Q257 CarbonylContact O-C 3.52Å; L254-Q257 PolarHBondContact O-N 2.8Å; L254-Q257 VanDerWaalsContact O-N 3.15Å; Q257-N259 PolarHBondContact O-N 3.19Å; Q257-S260 WeakPolarHBondContact O-CB 3.31Å; Q257-S260 PolarHBondContact O-N 3.08Å; Q257-S260 PolarHBondContact O-OG 3.49Å | ||
| 258 | P | 64.6 | Low | 85.8 | Confident | 104 Ų | 104 | 65.6 Ų | 65.6 | 68% | 0.675 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.6 | -171.9 | -27.4 | 36.7 | 0 | 0 | 0 | 117 | ||
| 259 | N | 65.7 | Low | 85.8 | Confident | 122 Ų | 122 | 62.1 Ų | 62.1 | 65% | 0.652 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 27.8 | -179.2 | -62.7 | 28.7 | 0 | 0 | 0 | 112.3 | Q257 | Q257-N259 PolarHBondContact O-N 3.19Š|
| 260 | S | 75.5 | Confident | 85.9 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 35.5 | -176.9 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | L254 Q257 E324 | L254-S260 WeakPolarHBondContact CD1-OG 3.26Å; Q257-S260 WeakPolarHBondContact O-CB 3.31Å; Q257-S260 PolarHBondContact O-N 3.08Å; Q257-S260 PolarHBondContact O-OG 3.49Å; S260-E324 WeakPolarHBondContact O-CB 3.43Å; S260-E324 VanDerWaalsContact O-CD 3.29Å; S260-E324 WeakPolarHBondContact O-CG 3.5Å |
| 261 | L | 86.1 | Confident | 86 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.8 | 22.4 | 174.2 | -70.1 | 174.7 | 0 | 0 | 0 | 111.8 | F250 L254 V264 T265 E324 T325 Y497 | F250-L261 HydrophobicContact CE1-CD2 4.04Å; F250-L261 HydrophobicContact CZ-CD2 3.9Å; L254-L261 HydrophobicContact CD1-CD1 3.92Å; L254-L261 HydrophobicContact CD1-CG 3.97Å; L254-L261 HydrophobicContact CD2-CD1 4.15Å; L261-V264 HydrophobicContact CD2-CB 4.28Å; L261-V264 HydrophobicContact CD2-CG2 4.05Å; L261-T265 WeakPolarHBondContact O-CB 3.34Å; L261-T265 PolarHBondContact O-N 3.09Å; L261-T265 PolarHBondContact O-OG1 3.08Å; L261-E324 WeakPolarHBondContact CA-OE1 3.48Å; L261-E324 PolarHBondContact N-OE1 3.28Å; L261-T325 HydrophobicContact CD2-CG2 4.31Å; L261-Y497 HydrophobicContact CD1-CD1 4.33Å |
| 262 | D | 88.5 | Confident | 86 | Confident | 102 Ų | 102 | 57.8 Ų | 57.8 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.9 | -39.2 | -177.9 | -76.7 | -2.2 | 0 | 0 | 0 | 110.2 | T265 Q266 E324 | D262-T265 PolarHBondContact O-N 2.95Å; D262-Q266 PolarHBondContact O-N 2.72Å; D262-E324 PolarHBondContact N-OE1 3.22Å |
| 263 | F | 89.6 | Confident | 86 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -74.3 | -37.8 | 177.7 | -55.8 | -61.4 | 0 | 0 | 0 | 112.4 | T265 W267 P321 E324 | F263-T265 VanDerWaalsContact C-N 3.29Å; F263-T265 PolarHBondContact O-N 3.45Å; F263-W267 WeakPolarHBondContact O-CB 3.44Å; F263-W267 PolarHBondContact O-N 2.9Å; F263-P321 HydrophobicContact CD1-CG 3.65Å; F263-P321 HydrophobicContact CD2-CG 4.5Å; F263-P321 HydrophobicContact CE1-CG 3.53Å; F263-P321 HydrophobicContact CE2-CG 4.4Å; F263-P321 HydrophobicContact CG-CG 4.15Å; F263-P321 HydrophobicContact CZ-CG 3.93Å; F263-E324 WeakPolarHBondContact CB-OE2 3.28Å; F263-E324 HydrophobicContact CD2-CG 4.21Å; F263-E324 WeakPolarHBondContact CD2-OE1 3.45Å; F263-E324 PolarHBondContact N-OE1 2.91Å; F263-E324 PolarHBondContact N-OE2 2.72Å |
| 264 | V | 92.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 168.9 | 173 | 0 | 0 | 0 | 0 | 111 | L261 W267 L268 P323 E324 T325 Y498 I501 | L261-V264 HydrophobicContact CD2-CB 4.28Å; L261-V264 HydrophobicContact CD2-CG2 4.05Å; V264-W267 HydrophobicContact CG1-CE3 4.49Å; V264-L268 HydrophobicContact CG1-CD1 3.9Å; V264-L268 WeakPolarHBondContact O-CG 3.46Å; V264-L268 PolarHBondContact O-N 2.93Å; V264-L268 VanDerWaalsContact O-N 3.11Å; V264-P323 HydrophobicContact CB-CB 4.47Å; V264-P323 HydrophobicContact CG2-CB 3.67Å; V264-E324 HydrophobicContact CG2-CB 4.49Å; V264-E324 WeakPolarHBondContact CG2-OE2 3.31Å; V264-E324 PolarHBondContact N-OE2 3.41Å; V264-T325 HydrophobicContact CG2-CG2 3.92Å; V264-T325 WeakPolarHBondContact CG2-OG1 3.39Å; V264-Y498 HydrophobicContact CG1-CD1 3.89Å; V264-Y498 HydrophobicContact CG1-CE1 3.81Å; V264-I501 HydrophobicContact CB-CD1 4.32Å; V264-I501 HydrophobicContact CG1-CD1 3.58Å |
| 265 | T | 91.9 | Very high | 86.2 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -51.7 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L261 D262 F263 W267 L268 E269 I501 | L261-T265 WeakPolarHBondContact O-CB 3.34Å; L261-T265 PolarHBondContact O-N 3.09Å; L261-T265 PolarHBondContact O-OG1 3.08Å; D262-T265 PolarHBondContact O-N 2.95Å; F263-T265 VanDerWaalsContact C-N 3.29Å; F263-T265 PolarHBondContact O-N 3.45Å; T265-W267 VanDerWaalsContact C-N 3.33Å; T265-W267 PolarHBondContact O-N 3.34Å; T265-L268 PolarHBondContact O-N 3.5Å; T265-E269 HydrophobicContact CG2-CG 4.45Å; T265-E269 WeakPolarHBondContact O-CB 3.43Å; T265-E269 WeakPolarHBondContact O-CG 3.2Å; T265-E269 PolarHBondContact O-N 3.35Å; T265-I501 HydrophobicContact CG2-CG2 4.35Å |
| 266 | Q | 91.8 | Very high | 86.2 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 176.6 | -179 | -175.5 | -22.3 | 0 | 0 | 112 | D262 L268 E269 E270 | D262-Q266 PolarHBondContact O-N 2.72Å; Q266-L268 VanDerWaalsContact C-N 3.33Å; Q266-L268 PolarHBondContact O-N 3Å; Q266-E269 PolarHBondContact O-N 3.23Å; Q266-E270 HydrophobicContact CG-CG 4.29Å; Q266-E270 PolarHBondContact NE2-OE1 3.28Å; Q266-E270 PolarHBondContact O-N 3.01Å |
| 267 | W | 94.2 | Very high | 86.3 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | -179 | 169.6 | 60.7 | 0 | 0 | 0 | 112.8 | F263 V264 T265 A271 A308 Y309 L312 W315 P323 Y498 | F263-W267 WeakPolarHBondContact O-CB 3.44Å; F263-W267 PolarHBondContact O-N 2.9Å; V264-W267 HydrophobicContact CG1-CE3 4.49Å; T265-W267 VanDerWaalsContact C-N 3.33Å; T265-W267 PolarHBondContact O-N 3.34Å; W267-A271 VanDerWaalsContact O-CB 3.31Å; W267-A271 WeakPolarHBondContact O-CB 3.44Å; W267-A271 PolarHBondContact O-N 2.87Å; W267-A308 HydrophobicContact CD2-CB 4.06Å; W267-A308 VanDerWaalsContact CE2-CB 3.47Å; W267-A308 HydrophobicContact CH2-CB 4.23Å; W267-A308 VanDerWaalsContact CZ2-C 3.47Å; W267-A308 HydrophobicContact CZ2-CB 3.59Å; W267-A308 PolarHBondContact NE1-O 3.19Å; W267-Y309 AromaticContact CH2-CD1 3.97Å; W267-Y309 HydrophobicContact CH2-CD1 3.97Å; W267-Y309 HydrophobicContact CH2-CD2 4.29Å; W267-Y309 AromaticContact CH2-CE1 3.77Å; W267-Y309 HydrophobicContact CH2-CE1 3.77Å; W267-Y309 HydrophobicContact CH2-CE2 4.08Å; W267-Y309 HydrophobicContact CH2-CG 4.23Å; W267-Y309 AromaticContact CH2-CZ 3.84Å; W267-Y309 AromaticContact CZ2-CD1 3.97Å; W267-Y309 HydrophobicContact CZ2-CD1 3.97Å; W267-Y309 HydrophobicContact CZ2-CE1 4.24Å; W267-Y309 HydrophobicContact CZ2-CG 4.12Å; W267-L312 HydrophobicContact CZ2-CD1 4.07Å; W267-L312 HydrophobicContact CZ2-CD2 3.93Å; W267-L312 HydrophobicContact CZ2-CG 4.05Å; W267-L312 VanDerWaalsContact NE1-CD2 3.29Å; W267-W315 HydrophobicContact CB-CH2 4.25Å; W267-W315 AromaticContact CD1-CH2 3.84Å; W267-W315 AromaticContact CD1-CZ3 3.47Å; W267-W315 VanDerWaalsContact CD1-CZ3 3.47Å; W267-W315 HydrophobicContact CG-CH2 4.26Å; W267-W315 HydrophobicContact CG-CZ3 4.14Å; W267-W315 AromaticContact NE1-CZ3 3.95Å; W267-P323 HydrophobicContact CB-CG 3.97Å; W267-P323 HydrophobicContact CD2-CB 4.25Å; W267-P323 HydrophobicContact CD2-CG 3.45Å; W267-P323 VanDerWaalsContact CD2-CG 3.45Å; W267-P323 HydrophobicContact CE3-CB 3.93Å; W267-P323 HydrophobicContact CE3-CG 3.64Å; W267-P323 HydrophobicContact CG-CG 3.63Å; W267-P323 HydrophobicContact CZ3-CB 4.42Å; W267-P323 HydrophobicContact CZ3-CG 4.27Å; W267-Y498 HydrophobicContact CZ3-CE1 4.07Å |
| 268 | L | 93.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -78.6 | -32 | 176.4 | -65.8 | 173.7 | 0 | 0 | 0 | 112.9 | V264 T265 Q266 S272 A308 Y498 I501 L502 I505 | V264-L268 HydrophobicContact CG1-CD1 3.9Å; V264-L268 WeakPolarHBondContact O-CG 3.46Å; V264-L268 PolarHBondContact O-N 2.93Å; V264-L268 VanDerWaalsContact O-N 3.11Å; T265-L268 PolarHBondContact O-N 3.5Å; Q266-L268 VanDerWaalsContact C-N 3.33Å; Q266-L268 PolarHBondContact O-N 3Å; L268-S272 WeakPolarHBondContact O-CB 3.13Å; L268-S272 PolarHBondContact O-N 2.99Å; L268-S272 VanDerWaalsContact O-N 3.09Å; L268-A308 HydrophobicContact CD2-CB 3.86Å; L268-Y498 HydrophobicContact CD1-CD1 3.99Å; L268-I501 HydrophobicContact CB-CG2 4.38Å; L268-I501 HydrophobicContact CD1-CB 4.39Å; L268-I501 HydrophobicContact CD1-CG2 3.91Å; L268-L502 HydrophobicContact CB-CD2 4.28Å; L268-L502 HydrophobicContact CD1-CD2 4.45Å; L268-L502 HydrophobicContact CD1-CG 4.24Å; L268-L502 HydrophobicContact CD2-CD2 4.41Å; L268-I505 HydrophobicContact CB-CD1 3.83Å |
| 269 | E | 92.4 | Very high | 87.1 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.3 | -52.7 | 172.4 | -77 | -175.9 | 150.8 | 0 | 0 | 110.7 | T265 Q266 A271 S272 E273 I505 R508 | T265-E269 HydrophobicContact CG2-CG 4.45Å; T265-E269 WeakPolarHBondContact O-CB 3.43Å; T265-E269 WeakPolarHBondContact O-CG 3.2Å; T265-E269 PolarHBondContact O-N 3.35Å; Q266-E269 PolarHBondContact O-N 3.23Å; E269-A271 VanDerWaalsContact C-N 3.29Å; E269-A271 PolarHBondContact O-N 2.95Å; E269-S272 WeakPolarHBondContact O-CB 3.28Å; E269-S272 PolarHBondContact O-N 2.95Å; E269-E273 PolarHBondContact O-N 3.4Å; E269-I505 HydrophobicContact CB-CD1 4.41Å; E269-I505 HydrophobicContact CG-CD1 3.51Å; E269-I505 HydrophobicContact CG-CG1 3.64Å; E269-I505 HydrophobicContact CG-CG2 4.39Å; E269-R508 IonicContact OE1-NH1 3.47Å; E269-R508 PolarHBondContact OE1-NH1 3.03Å; E269-R508 VanDerWaalsContact OE1-NH1 3.13Å |
| 270 | E | 91.7 | Very high | 87.5 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.8 | -41.1 | 176.1 | -72.4 | -170.2 | -150 | 0 | 0 | 112 | Q266 S272 E273 D274 K311 R320 | Q266-E270 HydrophobicContact CG-CG 4.29Å; Q266-E270 PolarHBondContact NE2-OE1 3.28Å; Q266-E270 PolarHBondContact O-N 3.01Å; E270-S272 VanDerWaalsContact C-N 3.32Å; E270-S272 PolarHBondContact O-N 3.46Å; E270-E273 PolarHBondContact O-N 3.01Å; E270-D274 WeakPolarHBondContact O-CB 3.44Å; E270-D274 PolarHBondContact O-N 3.06Å; E270-K311 WeakPolarHBondContact OE2-CE 3.16Å; E270-K311 IonicContact OE2-NZ 2.85Å; E270-K311 PolarHBondContact OE2-NZ 2.89Å; E270-R320 IonicContact OE1-NH1 2.68Å; E270-R320 IonicContact OE2-NH1 3.97Å; E270-R320 PolarHBondContact OE2-NH1 3.2Å |
| 271 | A | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -33.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | W267 E269 L275 V304 Y307 A308 | W267-A271 VanDerWaalsContact O-CB 3.31Å; W267-A271 WeakPolarHBondContact O-CB 3.44Å; W267-A271 PolarHBondContact O-N 2.87Å; E269-A271 VanDerWaalsContact C-N 3.29Å; E269-A271 PolarHBondContact O-N 2.95Å; A271-L275 WeakPolarHBondContact O-CB 3.5Å; A271-L275 WeakPolarHBondContact O-CG 3.32Å; A271-L275 PolarHBondContact O-N 3.45Å; A271-V304 HydrophobicContact CB-CG1 4.14Å; A271-Y307 HydrophobicContact CB-CD1 4.09Å; A271-A308 HydrophobicContact CB-CB 3.59Å |
| 272 | S | 90.4 | Very high | 86.2 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.7 | -43.5 | 174.9 | -168.2 | 0 | 0 | 0 | 0 | 111.4 | L268 E269 E270 L275 M276 L299 | L268-S272 WeakPolarHBondContact O-CB 3.13Å; L268-S272 PolarHBondContact O-N 2.99Å; L268-S272 VanDerWaalsContact O-N 3.09Å; E269-S272 WeakPolarHBondContact O-CB 3.28Å; E269-S272 PolarHBondContact O-N 2.95Å; E270-S272 VanDerWaalsContact C-N 3.32Å; E270-S272 PolarHBondContact O-N 3.46Å; S272-L275 PolarHBondContact O-N 2.69Å; S272-M276 WeakPolarHBondContact O-CB 3.27Å; S272-M276 PolarHBondContact O-N 3.01Å; S272-L299 WeakPolarHBondContact O-CD1 3.34Å; S272-L299 WeakPolarHBondContact OG-CD1 3.25Å |
| 273 | E | 89.9 | Confident | 84.8 | Confident | 134 Ų | 134 | 60 Ų | 60 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.3 | -42.3 | 177.5 | -69 | -175.2 | 169.4 | 0 | 0 | 112.6 | E269 E270 M276 T277 | E269-E273 PolarHBondContact O-N 3.4Å; E270-E273 PolarHBondContact O-N 3.01Å; E273-M276 PolarHBondContact O-N 3.17Å; E273-T277 VanDerWaalsContact O-CB 3.28Å; E273-T277 WeakPolarHBondContact O-CB 3.33Å; E273-T277 PolarHBondContact O-N 3.2Å; E273-T277 PolarHBondContact O-OG1 3.36Å |
| 274 | D | 88.3 | Confident | 82.8 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 31% | 0.31 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 175.2 | -83.9 | -36.9 | 0 | 0 | 0 | 111.7 | E270 T277 Q278 Y307 K311 | E270-D274 WeakPolarHBondContact O-CB 3.44Å; E270-D274 PolarHBondContact O-N 3.06Å; D274-T277 PolarHBondContact O-N 2.8Å; D274-Q278 WeakPolarHBondContact O-CG 3.44Å; D274-Q278 PolarHBondContact O-N 3.35Å; D274-Q278 PolarHBondContact O-NE2 2.86Å; D274-Y307 HydrophobicContact CB-CD1 4.47Å; D274-Y307 HydrophobicContact CB-CE1 3.57Å; D274-K311 IonicContact OD2-NZ 2.69Å; D274-K311 PolarHBondContact OD2-NZ 3.14Å |
| 275 | L | 86.3 | Confident | 80.6 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.5 | -79.1 | 176.6 | 0 | 0 | 0 | 112.6 | A271 S272 T277 Q278 K279 L299 V304 Y307 | A271-L275 WeakPolarHBondContact O-CB 3.5Å; A271-L275 WeakPolarHBondContact O-CG 3.32Å; A271-L275 PolarHBondContact O-N 3.45Å; S272-L275 PolarHBondContact O-N 2.69Å; L275-T277 VanDerWaalsContact C-N 3.32Å; L275-T277 PolarHBondContact O-N 3.4Å; L275-Q278 PolarHBondContact O-N 2.94Å; L275-K279 PolarHBondContact O-N 3.23Å; L275-L299 HydrophobicContact CB-CD1 4.1Å; L275-L299 HydrophobicContact CB-CD2 3.74Å; L275-L299 HydrophobicContact CD1-CD2 4.25Å; L275-V304 HydrophobicContact CD1-CB 4.45Å; L275-V304 HydrophobicContact CD1-CG2 4.13Å; L275-Y307 HydrophobicContact CD1-CD1 4.45Å; L275-Y307 HydrophobicContact CD1-CG 4.08Å; L275-Y307 HydrophobicContact CD2-CD1 4.32Å; L275-Y307 HydrophobicContact CD2-CD2 3.66Å; L275-Y307 HydrophobicContact CD2-CE2 4.25Å; L275-Y307 HydrophobicContact CD2-CG 3.71Å; L275-Y307 HydrophobicContact CG-CD1 3.91Å; L275-Y307 HydrophobicContact CG-CD2 4.17Å; L275-Y307 HydrophobicContact CG-CG 3.7Å |
| 276 | M | 84.6 | Confident | 78.6 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.3 | -49.8 | 171.5 | -84.9 | -56.1 | -160.1 | 0 | 0 | 110.2 | S272 E273 Q278 K279 Y280 L299 | S272-M276 WeakPolarHBondContact O-CB 3.27Å; S272-M276 PolarHBondContact O-N 3.01Å; E273-M276 PolarHBondContact O-N 3.17Å; M276-Q278 VanDerWaalsContact C-N 3.3Å; M276-Q278 PolarHBondContact O-N 3.15Å; M276-K279 PolarHBondContact O-N 3.16Å; M276-K279 VanDerWaalsContact O-N 3.12Å; M276-Y280 HydrophobicContact CB-CD2 4.31Å; M276-Y280 HydrophobicContact CB-CE2 4.03Å; M276-Y280 HydrophobicContact CG-CE2 4.46Å; M276-Y280 WeakPolarHBondContact O-CD2 3.42Å; M276-Y280 PolarHBondContact O-N 2.92Å; M276-Y280 HydrophobicContact SD-CE2 4.1Å; M276-L299 HydrophobicContact CE-CD1 4.43Å; M276-L299 HydrophobicContact CE-CG 4.47Å; M276-L299 HydrophobicContact CG-CD1 3.8Å; M276-L299 HydrophobicContact CG-CG 4.49Å; M276-L299 HydrophobicContact SD-CD1 4.17Å; M276-L299 HydrophobicContact SD-CG 4.22Å |
| 277 | T | 85.4 | Confident | 76.2 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | -179.2 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | E273 D274 L275 K281 | E273-T277 VanDerWaalsContact O-CB 3.28Å; E273-T277 WeakPolarHBondContact O-CB 3.33Å; E273-T277 PolarHBondContact O-N 3.2Å; E273-T277 PolarHBondContact O-OG1 3.36Å; D274-T277 PolarHBondContact O-N 2.8Å; L275-T277 VanDerWaalsContact C-N 3.32Å; L275-T277 PolarHBondContact O-N 3.4Å; T277-K281 HydrophobicContact CG2-CD 4.27Å; T277-K281 WeakPolarHBondContact O-CD 3.43Å; T277-K281 VanDerWaalsContact O-CG 3.28Å; T277-K281 WeakPolarHBondContact O-CG 2.99Å; T277-K281 PolarHBondContact O-N 2.95Å; T277-K281 VanDerWaalsContact O-N 3.14Å |
| 278 | Q | 80.7 | Confident | 74 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 33% | 0.327 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 172.7 | -74.5 | 165.9 | 75.9 | 0 | 0 | 111.7 | D274 L275 M276 Y280 K281 H282 Y307 | D274-Q278 WeakPolarHBondContact O-CG 3.44Å; D274-Q278 PolarHBondContact O-N 3.35Å; D274-Q278 PolarHBondContact O-NE2 2.86Å; L275-Q278 PolarHBondContact O-N 2.94Å; M276-Q278 VanDerWaalsContact C-N 3.3Å; M276-Q278 PolarHBondContact O-N 3.15Å; Q278-Y280 VanDerWaalsContact C-N 3.35Å; Q278-Y280 PolarHBondContact O-N 3.47Å; Q278-K281 PolarHBondContact O-N 3.34Å; Q278-H282 PolarHBondContact O-CD2 2.78Å; Q278-H282 PolarHBondContact O-N 2.7Å; Q278-Y307 VanDerWaalsContact NE2-CZ 3.32Å; Q278-Y307 PolarHBondContact NE2-OH 3.19Å; Q278-Y307 VanDerWaalsContact NE2-OH 3.15Å |
| 279 | K | 77.6 | Confident | 71.4 | Confident | 78 Ų | 78 | 79 Ų | 79 | 34% | 0.339 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 177.2 | -74.1 | -166.9 | -177.9 | -174.8 | 0 | 112.2 | L275 M276 K281 H282 A283 P297 R298 L299 | L275-K279 PolarHBondContact O-N 3.23Å; M276-K279 PolarHBondContact O-N 3.16Å; M276-K279 VanDerWaalsContact O-N 3.12Å; K279-K281 PolarHBondContact O-N 2.75Å; K279-H282 CarbonylContact O-C 3.59Å; K279-H282 PolarHBondContact O-N 3.47Å; K279-A283 VanDerWaalsContact O-CB 3.22Å; K279-A283 WeakPolarHBondContact O-CB 3.45Å; K279-A283 PolarHBondContact O-N 3.11Å; K279-P297 HydrophobicContact CB-CB 4.38Å; K279-P297 HydrophobicContact CD-CB 3.63Å; K279-P297 WeakPolarHBondContact CD-O 3.48Å; K279-P297 PolarHBondContact NZ-O 3.08Å; K279-R298 PolarHBondContact NZ-O 2.76Å; K279-L299 HydrophobicContact CD-CD2 4.08Å |
| 280 | Y | 74.7 | Confident | 68.9 | Low | 96 Ų | 96 | 81 Ų | 81 | 38% | 0.376 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.6 | -71.8 | -60.2 | 0 | 0 | 0 | 112.9 | M276 Q278 H282 A283 L284 M296 | M276-Y280 HydrophobicContact CB-CD2 4.31Å; M276-Y280 HydrophobicContact CB-CE2 4.03Å; M276-Y280 HydrophobicContact CG-CE2 4.46Å; M276-Y280 WeakPolarHBondContact O-CD2 3.42Å; M276-Y280 PolarHBondContact O-N 2.92Å; M276-Y280 HydrophobicContact SD-CE2 4.1Å; Q278-Y280 VanDerWaalsContact C-N 3.35Å; Q278-Y280 PolarHBondContact O-N 3.47Å; Y280-H282 VanDerWaalsContact C-N 3.29Å; Y280-H282 PolarHBondContact O-N 2.72Å; Y280-A283 PolarHBondContact O-N 2.95Å; Y280-L284 PolarHBondContact O-N 2.88Å; Y280-M296 WeakPolarHBondContact OH-CE 3.27Å |
| 281 | K | 72.3 | Confident | 67 | Low | 151 Ų | 151 | 84.4 Ų | 84.4 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -33.8 | 174.4 | -73.9 | 167.7 | -178.3 | 172.5 | 0 | 112.7 | T277 Q278 K279 | T277-K281 HydrophobicContact CG2-CD 4.27Å; T277-K281 WeakPolarHBondContact O-CD 3.43Å; T277-K281 VanDerWaalsContact O-CG 3.28Å; T277-K281 WeakPolarHBondContact O-CG 2.99Å; T277-K281 PolarHBondContact O-N 2.95Å; T277-K281 VanDerWaalsContact O-N 3.14Å; Q278-K281 PolarHBondContact O-N 3.34Å; K279-K281 PolarHBondContact O-N 2.75Å |
| 282 | H | 61.7 | Low | 64.4 | Low | 163 Ų | 163 | 87.5 Ų | 87.5 | 76% | 0.755 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -85.3 | -20.2 | 176 | -72.2 | -65.2 | 0 | 0 | 0 | 114.4 | Q278 K279 Y280 | Q278-H282 PolarHBondContact O-CD2 2.78Å; Q278-H282 PolarHBondContact O-N 2.7Å; K279-H282 CarbonylContact O-C 3.59Å; K279-H282 PolarHBondContact O-N 3.47Å; Y280-H282 VanDerWaalsContact C-N 3.29Å; Y280-H282 PolarHBondContact O-N 2.72Å |
| 283 | A | 58.8 | Low | 62.1 | Low | 63 Ų | 63 | 93.2 Ų | 93.2 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -86.8 | -11.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K279 Y280 P285 | K279-A283 VanDerWaalsContact O-CB 3.22Å; K279-A283 WeakPolarHBondContact O-CB 3.45Å; K279-A283 PolarHBondContact O-N 3.11Å; Y280-A283 PolarHBondContact O-N 2.95Å; A283-P285 VanDerWaalsContact O-CD 3.23Å; A283-P285 WeakPolarHBondContact O-CD 3.24Å |
| 284 | L | 48.1 | Very low | 60 | Low | 135 Ų | 135 | 90.8 Ų | 90.8 | 71% | 0.707 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -74.4 | 113.2 | 174 | -78.2 | 165.6 | 0 | 0 | 0 | 110.7 | Y280 | Y280-L284 PolarHBondContact O-N 2.88Š|
| 285 | P | 47.7 | Very low | 57.9 | Low | 103 Ų | 103 | 93.9 Ų | 93.9 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | trans | -75.1 | 134.1 | -175.9 | -16.2 | 32.4 | 0 | 0 | 0 | 112.5 | A283 G287 | A283-P285 VanDerWaalsContact O-CD 3.23Å; A283-P285 WeakPolarHBondContact O-CD 3.24Å; P285-G287 PolarHBondContact O-N 3.16Å; P285-G287 VanDerWaalsContact O-N 3.09Å | ||
| 286 | V | 48.5 | Very low | 56.4 | Low | 158 Ų | 158 | 98 Ų | 98 | 96% | 0.958 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -74.2 | 96.7 | 162.8 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | ||
| 287 | G | 42.8 | Very low | 55.1 | Low | 64 Ų | 64 | 99.1 Ų | 99.1 | 66% | 0.66 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 95.8 | 117.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P285 | P285-G287 PolarHBondContact O-N 3.16Å; P285-G287 VanDerWaalsContact O-N 3.09Å |
| 288 | G | 46.6 | Very low | 54.1 | Low | 80 Ų | 80 | 105.6 Ų | 105.6 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -93.1 | 140.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 289 | A | 39.1 | Very low | 54.1 | Low | 98 Ų | 98 | 103 Ų | 103 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | trans | -152.8 | 141.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 290 | A | 39.9 | Very low | 54.4 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 86% | 0.86 | 66% | 0.66 | S | S | * | * | trans | 45.8 | 116.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 291 | A | 52.6 | Low | 55 | Low | 113 Ų | 113 | 100.3 Ų | 100.3 | 93% | 0.934 | 66% | 0.658 | S | S | * | * | trans | -74.3 | 139 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 292 | G | 36.6 | Very low | 55.7 | Low | 65 Ų | 65 | 97.1 Ų | 97.1 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | -154.7 | 127.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 293 | S | 42.8 | Very low | 57 | Low | 123 Ų | 123 | 90.8 Ų | 90.8 | 86% | 0.86 | 63% | 0.628 | S | S | * | * | trans | 30 | 90.9 | 173 | 57.6 | 0 | 0 | 0 | 0 | 116.5 | D295 | S293-D295 PolarHBondContact O-N 3.42Š| ||
| 294 | G | 45.8 | Very low | 58.5 | Low | 84 Ų | 84 | 87.8 Ų | 87.8 | 87% | 0.866 | 60% | 0.603 | S | S | * | * | trans | -70.2 | 91.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 295 | D | 43 | Very low | 60.5 | Low | 123 Ų | 123 | 82 Ų | 82 | 66% | 0.658 | 57% | 0.572 | S | S | * | * | trans | -83.4 | 109.7 | 159.1 | -164.4 | 22.2 | 0 | 0 | 0 | 107.5 | S293 R298 | S293-D295 PolarHBondContact O-N 3.42Å; D295-R298 IonicContact OD1-NH1 2.63Å; D295-R298 PolarHBondContact OD1-NH1 2.95Å | ||
| 296 | M | 54.3 | Low | 62.7 | Low | 105 Ų | 105 | 77.5 Ų | 77.5 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | trans | -60.6 | 141.3 | -179 | -72.6 | -78.7 | -85 | 0 | 0 | 109.5 | Y280 R298 | Y280-M296 WeakPolarHBondContact OH-CE 3.27Å; M296-R298 PolarHBondContact O-N 3.23Å | ||
| 297 | P | 57.5 | Low | 64.7 | Low | 44 Ų | 44 | 72.4 Ų | 72.4 | 29% | 0.286 | 51% | 0.506 | S | S | . | . | trans | -70.6 | 67.6 | -167.9 | -22 | 35.8 | 0 | 0 | 0 | 115.5 | K279 L299 | K279-P297 HydrophobicContact CB-CB 4.38Å; K279-P297 HydrophobicContact CD-CB 3.63Å; K279-P297 WeakPolarHBondContact CD-O 3.48Å; K279-P297 PolarHBondContact NZ-O 3.08Å; P297-L299 PolarHBondContact O-N 2.91Å | ||
| 298 | R | 66.2 | Low | 67.1 | Low | 198 Ų | 198 | 69.3 Ų | 69.3 | 75% | 0.747 | 48% | 0.475 | S | S | * | . | trans | -39.8 | 125.8 | -174.4 | -78.5 | -179.1 | 154.8 | 112 | -4.6 | 112.4 | K279 D295 M296 | K279-R298 PolarHBondContact NZ-O 2.76Å; D295-R298 IonicContact OD1-NH1 2.63Å; D295-R298 PolarHBondContact OD1-NH1 2.95Å; M296-R298 PolarHBondContact O-N 3.23Å | ||
| 299 | L | 78.8 | Confident | 69.4 | Low | 16 Ų | 16 | 65.6 Ų | 65.6 | 8% | 0.084 | 44% | 0.436 | C | S | . | . | trans | -81.4 | 135.6 | 171.8 | -66.1 | 175.4 | 0 | 0 | 0 | 108.8 | S272 L275 M276 K279 P297 V304 L506 | S272-L299 WeakPolarHBondContact O-CD1 3.34Å; S272-L299 WeakPolarHBondContact OG-CD1 3.25Å; L275-L299 HydrophobicContact CB-CD1 4.1Å; L275-L299 HydrophobicContact CB-CD2 3.74Å; L275-L299 HydrophobicContact CD1-CD2 4.25Å; M276-L299 HydrophobicContact CE-CD1 4.43Å; M276-L299 HydrophobicContact CE-CG 4.47Å; M276-L299 HydrophobicContact CG-CD1 3.8Å; M276-L299 HydrophobicContact CG-CG 4.49Å; M276-L299 HydrophobicContact SD-CD1 4.17Å; M276-L299 HydrophobicContact SD-CG 4.22Å; K279-L299 HydrophobicContact CD-CD2 4.08Å; P297-L299 PolarHBondContact O-N 2.91Å; L299-V304 HydrophobicContact CB-CG2 3.9Å; L299-V304 HydrophobicContact CD1-CG2 4.05Å; L299-L506 HydrophobicContact CB-CD2 3.78Å | ||
| 300 | S | 85.7 | Confident | 72 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | trans | -81.9 | 140.5 | 168.2 | 61.6 | 0 | 0 | 0 | 0 | 108.9 | V302 A303 V304 | S300-V302 PolarHBondContact O-N 3.15Å; S300-V302 VanDerWaalsContact O-N 3.16Å; S300-A303 PolarHBondContact O-N 3.42Å; S300-A303 VanDerWaalsContact OG-CB 3.23Å; S300-A303 WeakPolarHBondContact OG-CB 3.46Å; S300-A303 PolarHBondContact OG-N 3.5Å; S300-V304 PolarHBondContact O-N 3.06Å | ||
| 301 | P | 86.4 | Confident | 74.5 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53.4 | -38.5 | 178 | -24.8 | 30.9 | 0 | 0 | 0 | 112.5 | A303 V304 Q305 L502 L506 | P301-A303 PolarHBondContact O-N 3.22Å; P301-V304 PolarHBondContact O-N 2.96Å; P301-Q305 WeakPolarHBondContact O-CG 3.23Å; P301-Q305 PolarHBondContact O-N 3.44Å; P301-L502 HydrophobicContact CB-CB 4.47Å; P301-L502 HydrophobicContact CB-CD1 4.11Å; P301-L506 HydrophobicContact CB-CD1 4.16Å; P301-L506 HydrophobicContact CG-CD1 3.69Å |
| 302 | V | 87 | Confident | 76.4 | Confident | 84 Ų | 84 | 53 Ų | 53 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 178.6 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | S300 N306 | S300-V302 PolarHBondContact O-N 3.15Å; S300-V302 VanDerWaalsContact O-N 3.16Å; V302-N306 WeakPolarHBondContact O-CB 3.3Å; V302-N306 VanDerWaalsContact O-CG 3.26Å; V302-N306 PolarHBondContact O-N 3.07Å; V302-N306 PolarHBondContact O-OD1 2.96Å |
| 303 | A | 88.2 | Confident | 79 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 26% | 0.256 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S300 P301 N306 Y307 | S300-A303 PolarHBondContact O-N 3.42Å; S300-A303 VanDerWaalsContact OG-CB 3.23Å; S300-A303 WeakPolarHBondContact OG-CB 3.46Å; S300-A303 PolarHBondContact OG-N 3.5Å; P301-A303 PolarHBondContact O-N 3.22Å; A303-N306 PolarHBondContact O-N 3.49Å; A303-Y307 WeakPolarHBondContact O-CB 3.41Å; A303-Y307 PolarHBondContact O-N 3.38Å |
| 304 | V | 90.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | A271 L275 L299 S300 P301 Y307 A308 L502 L506 | A271-V304 HydrophobicContact CB-CG1 4.14Å; L275-V304 HydrophobicContact CD1-CB 4.45Å; L275-V304 HydrophobicContact CD1-CG2 4.13Å; L299-V304 HydrophobicContact CB-CG2 3.9Å; L299-V304 HydrophobicContact CD1-CG2 4.05Å; S300-V304 PolarHBondContact O-N 3.06Å; P301-V304 PolarHBondContact O-N 2.96Å; V304-Y307 PolarHBondContact O-N 2.88Å; V304-A308 VanDerWaalsContact O-CB 3.26Å; V304-A308 WeakPolarHBondContact O-CB 3.35Å; V304-A308 PolarHBondContact O-N 3.43Å; V304-L502 HydrophobicContact CB-CD2 3.95Å; V304-L502 HydrophobicContact CG1-CD2 3.66Å; V304-L506 HydrophobicContact CG2-CD2 4.39Å |
| 305 | Q | 91.2 | Very high | 83.2 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.065 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 174.4 | -70 | 174.8 | 11.9 | 0 | 0 | 111.9 | P301 Y307 A308 Y309 L502 | P301-Q305 WeakPolarHBondContact O-CG 3.23Å; P301-Q305 PolarHBondContact O-N 3.44Å; Q305-Y307 VanDerWaalsContact C-N 3.33Å; Q305-Y307 PolarHBondContact O-N 2.92Å; Q305-A308 WeakPolarHBondContact O-CB 3.35Å; Q305-A308 PolarHBondContact O-N 3.22Å; Q305-Y309 WeakPolarHBondContact O-CD2 3.31Å; Q305-Y309 PolarHBondContact O-N 2.87Å; Q305-L502 HydrophobicContact CG-CD1 3.62Å; Q305-L502 VanDerWaalsContact NE2-CD1 3.32Å |
| 306 | N | 92 | Very high | 85.2 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.4 | -47.4 | 180 | -78.1 | 4.9 | 0 | 0 | 0 | 111.6 | V302 A303 Y309 L310 L454 K491 | V302-N306 WeakPolarHBondContact O-CB 3.3Å; V302-N306 VanDerWaalsContact O-CG 3.26Å; V302-N306 PolarHBondContact O-N 3.07Å; V302-N306 PolarHBondContact O-OD1 2.96Å; A303-N306 PolarHBondContact O-N 3.49Å; N306-Y309 PolarHBondContact O-N 3.37Å; N306-L310 WeakPolarHBondContact O-CD1 3.49Å; N306-L310 VanDerWaalsContact O-CG 3.29Å; N306-L310 WeakPolarHBondContact O-CG 3.48Å; N306-L310 PolarHBondContact O-N 2.8Å; N306-L454 HydrophobicContact CB-CD1 4.26Å; N306-K491 PolarHBondContact OD1-NZ 3.25Å |
| 307 | Y | 91.5 | Very high | 86.6 | Confident | 51 Ų | 51 | 41 Ų | 41 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 177.6 | -170.6 | -95.6 | 0 | 0 | 0 | 112.3 | A271 D274 L275 Q278 A303 V304 Q305 Y309 L310 K311 | A271-Y307 HydrophobicContact CB-CD1 4.09Å; D274-Y307 HydrophobicContact CB-CD1 4.47Å; D274-Y307 HydrophobicContact CB-CE1 3.57Å; L275-Y307 HydrophobicContact CD1-CD1 4.45Å; L275-Y307 HydrophobicContact CD1-CG 4.08Å; L275-Y307 HydrophobicContact CD2-CD1 4.32Å; L275-Y307 HydrophobicContact CD2-CD2 3.66Å; L275-Y307 HydrophobicContact CD2-CE2 4.25Å; L275-Y307 HydrophobicContact CD2-CG 3.71Å; L275-Y307 HydrophobicContact CG-CD1 3.91Å; L275-Y307 HydrophobicContact CG-CD2 4.17Å; L275-Y307 HydrophobicContact CG-CG 3.7Å; Q278-Y307 VanDerWaalsContact NE2-CZ 3.32Å; Q278-Y307 PolarHBondContact NE2-OH 3.19Å; Q278-Y307 VanDerWaalsContact NE2-OH 3.15Å; A303-Y307 WeakPolarHBondContact O-CB 3.41Å; A303-Y307 PolarHBondContact O-N 3.38Å; V304-Y307 PolarHBondContact O-N 2.88Å; Q305-Y307 VanDerWaalsContact C-N 3.33Å; Q305-Y307 PolarHBondContact O-N 2.92Å; Y307-Y309 PolarHBondContact O-N 3.01Å; Y307-L310 PolarHBondContact O-N 3.18Å; Y307-K311 HydrophobicContact CE1-CD 4.47Å; Y307-K311 WeakPolarHBondContact O-CB 3.31Å; Y307-K311 PolarHBondContact O-N 2.78Å |
| 308 | A | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W267 L268 A271 V304 Q305 K311 L312 | W267-A308 HydrophobicContact CD2-CB 4.06Å; W267-A308 VanDerWaalsContact CE2-CB 3.47Å; W267-A308 HydrophobicContact CH2-CB 4.23Å; W267-A308 VanDerWaalsContact CZ2-C 3.47Å; W267-A308 HydrophobicContact CZ2-CB 3.59Å; W267-A308 PolarHBondContact NE1-O 3.19Å; L268-A308 HydrophobicContact CD2-CB 3.86Å; A271-A308 HydrophobicContact CB-CB 3.59Å; V304-A308 VanDerWaalsContact O-CB 3.26Å; V304-A308 WeakPolarHBondContact O-CB 3.35Å; V304-A308 PolarHBondContact O-N 3.43Å; Q305-A308 WeakPolarHBondContact O-CB 3.35Å; Q305-A308 PolarHBondContact O-N 3.22Å; A308-K311 WeakPolarHBondContact O-CB 3.42Å; A308-K311 PolarHBondContact O-N 2.91Å; A308-L312 PolarHBondContact O-N 3.34Å |
| 309 | Y | 94.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -36.2 | 174.4 | -74.9 | -72.3 | 0 | 0 | 0 | 112.9 | W267 Q305 N306 Y307 K311 L312 F333 V487 N490 K491 Y498 | W267-Y309 AromaticContact CH2-CD1 3.97Å; W267-Y309 HydrophobicContact CH2-CD1 3.97Å; W267-Y309 HydrophobicContact CH2-CD2 4.29Å; W267-Y309 AromaticContact CH2-CE1 3.77Å; W267-Y309 HydrophobicContact CH2-CE1 3.77Å; W267-Y309 HydrophobicContact CH2-CE2 4.08Å; W267-Y309 HydrophobicContact CH2-CG 4.23Å; W267-Y309 AromaticContact CH2-CZ 3.84Å; W267-Y309 AromaticContact CZ2-CD1 3.97Å; W267-Y309 HydrophobicContact CZ2-CD1 3.97Å; W267-Y309 HydrophobicContact CZ2-CE1 4.24Å; W267-Y309 HydrophobicContact CZ2-CG 4.12Å; Q305-Y309 WeakPolarHBondContact O-CD2 3.31Å; Q305-Y309 PolarHBondContact O-N 2.87Å; N306-Y309 PolarHBondContact O-N 3.37Å; Y307-Y309 PolarHBondContact O-N 3.01Å; Y309-K311 VanDerWaalsContact C-N 3.33Å; Y309-L312 HydrophobicContact CD1-CD1 3.74Å; Y309-L312 HydrophobicContact CE1-CD1 4.47Å; Y309-L312 VanDerWaalsContact O-CB 3.31Å; Y309-L312 WeakPolarHBondContact O-CB 3.49Å; Y309-L312 PolarHBondContact O-N 2.74Å; Y309-F333 HydrophobicContact CD1-CE1 4.42Å; Y309-F333 HydrophobicContact CD1-CZ 4.1Å; Y309-F333 HydrophobicContact CE1-CZ 4.47Å; Y309-V487 HydrophobicContact CD1-CB 4.45Å; Y309-V487 HydrophobicContact CD1-CG1 4.29Å; Y309-V487 HydrophobicContact CD1-CG2 3.71Å; Y309-V487 HydrophobicContact CD2-CG1 3.55Å; Y309-V487 HydrophobicContact CD2-CG2 4.33Å; Y309-V487 HydrophobicContact CE1-CG2 4.34Å; Y309-V487 HydrophobicContact CE2-CG1 3.84Å; Y309-V487 HydrophobicContact CG-CB 4.35Å; Y309-V487 HydrophobicContact CG-CG1 3.81Å; Y309-V487 HydrophobicContact CG-CG2 3.71Å; Y309-N490 PolarHBondContact OH-OD1 3.14Å; Y309-K491 HydrophobicContact CE2-CD 4.28Å; Y309-K491 HydrophobicContact CE2-CG 3.87Å; Y309-Y498 VanDerWaalsContact OH-CE2 3.27Å; Y309-Y498 WeakPolarHBondContact OH-CE2 3.22Å; Y309-Y498 PolarHBondContact OH-OH 3.47Å |
| 310 | L | 93.1 | Very high | 89 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.9 | -33.6 | 173.9 | -69.4 | 161.3 | 0 | 0 | 0 | 112.2 | N306 Y307 L312 L313 L450 E451 F483 | N306-L310 WeakPolarHBondContact O-CD1 3.49Å; N306-L310 VanDerWaalsContact O-CG 3.29Å; N306-L310 WeakPolarHBondContact O-CG 3.48Å; N306-L310 PolarHBondContact O-N 2.8Å; Y307-L310 PolarHBondContact O-N 3.18Å; L310-L312 VanDerWaalsContact C-N 3.28Å; L310-L312 PolarHBondContact O-N 2.92Å; L310-L313 HydrophobicContact CD2-CD1 4.39Å; L310-L313 WeakPolarHBondContact O-CB 3.45Å; L310-L313 PolarHBondContact O-N 2.91Å; L310-L450 HydrophobicContact CD2-CB 3.6Å; L310-L450 HydrophobicContact CD2-CD1 4.3Å; L310-E451 HydrophobicContact CD1-CB 3.54Å; L310-E451 HydrophobicContact CD1-CG 3.76Å; L310-F483 HydrophobicContact CD2-CE1 3.69Å; L310-F483 HydrophobicContact CD2-CZ 3.81Å; L310-F483 HydrophobicContact CG-CE1 4.35Å; L310-F483 HydrophobicContact CG-CZ 4.15Å |
| 311 | K | 92.1 | Very high | 89 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -28.3 | 174.7 | -171.9 | 169.4 | 173.3 | 176 | 0 | 112.2 | E270 D274 Y307 A308 Y309 L313 K314 W315 | E270-K311 WeakPolarHBondContact OE2-CE 3.16Å; E270-K311 IonicContact OE2-NZ 2.85Å; E270-K311 PolarHBondContact OE2-NZ 2.89Å; D274-K311 IonicContact OD2-NZ 2.69Å; D274-K311 PolarHBondContact OD2-NZ 3.14Å; Y307-K311 HydrophobicContact CE1-CD 4.47Å; Y307-K311 WeakPolarHBondContact O-CB 3.31Å; Y307-K311 PolarHBondContact O-N 2.78Å; A308-K311 WeakPolarHBondContact O-CB 3.42Å; A308-K311 PolarHBondContact O-N 2.91Å; Y309-K311 VanDerWaalsContact C-N 3.33Å; K311-L313 VanDerWaalsContact C-N 3.27Å; K311-L313 PolarHBondContact O-N 2.9Å; K311-K314 PolarHBondContact O-N 3.19Å; K311-W315 PolarHBondContact O-N 2.87Å |
| 312 | L | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.2 | -41.8 | 170.9 | -54.5 | -179.1 | 0 | 0 | 0 | 111.8 | W267 A308 Y309 L310 K314 W315 H317 P323 V326 F333 | W267-L312 HydrophobicContact CZ2-CD1 4.07Å; W267-L312 HydrophobicContact CZ2-CD2 3.93Å; W267-L312 HydrophobicContact CZ2-CG 4.05Å; W267-L312 VanDerWaalsContact NE1-CD2 3.29Å; A308-L312 PolarHBondContact O-N 3.34Å; Y309-L312 HydrophobicContact CD1-CD1 3.74Å; Y309-L312 HydrophobicContact CE1-CD1 4.47Å; Y309-L312 VanDerWaalsContact O-CB 3.31Å; Y309-L312 WeakPolarHBondContact O-CB 3.49Å; Y309-L312 PolarHBondContact O-N 2.74Å; L310-L312 VanDerWaalsContact C-N 3.28Å; L310-L312 PolarHBondContact O-N 2.92Å; L312-K314 PolarHBondContact O-N 2.99Å; L312-K314 VanDerWaalsContact O-N 3.07Å; L312-W315 HydrophobicContact CD2-CE3 3.36Å; L312-W315 HydrophobicContact CD2-CZ3 3.37Å; L312-W315 VanDerWaalsContact O-CB 3.3Å; L312-W315 WeakPolarHBondContact O-CB 3.19Å; L312-W315 PolarHBondContact O-N 3.47Å; L312-H317 PolarHBondContact O-CE1 3.25Å; L312-H317 VanDerWaalsContact O-CE1 3.22Å; L312-P323 HydrophobicContact CD2-CG 4.3Å; L312-V326 HydrophobicContact CD1-CG1 4.18Å; L312-F333 HydrophobicContact CB-CD1 4Å; L312-F333 HydrophobicContact CB-CE1 4.42Å; L312-F333 HydrophobicContact CD1-CD1 3.72Å; L312-F333 HydrophobicContact CD1-CD2 4.33Å; L312-F333 HydrophobicContact CD1-CE1 3.51Å; L312-F333 HydrophobicContact CD1-CE2 4.16Å; L312-F333 HydrophobicContact CD1-CG 4.15Å; L312-F333 HydrophobicContact CD1-CZ 3.74Å |
| 313 | L | 92.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -3.6 | -176.5 | -58.1 | 170.1 | 0 | 0 | 0 | 114.1 | L310 K311 F333 L336 L340 L450 F483 | L310-L313 HydrophobicContact CD2-CD1 4.39Å; L310-L313 WeakPolarHBondContact O-CB 3.45Å; L310-L313 PolarHBondContact O-N 2.91Å; K311-L313 VanDerWaalsContact C-N 3.27Å; K311-L313 PolarHBondContact O-N 2.9Å; L313-F333 HydrophobicContact CD2-CD1 4.18Å; L313-L336 HydrophobicContact CD2-CB 3.7Å; L313-L340 HydrophobicContact CB-CD1 4.06Å; L313-L340 HydrophobicContact CD1-CD1 3.66Å; L313-L340 HydrophobicContact CD2-CD1 3.97Å; L313-L340 HydrophobicContact CG-CD1 4.11Å; L313-L450 HydrophobicContact CD1-CD1 3.82Å; L313-F483 HydrophobicContact CD1-CD1 4.44Å; L313-F483 HydrophobicContact CD1-CD2 3.85Å; L313-F483 HydrophobicContact CD1-CE1 4.11Å; L313-F483 HydrophobicContact CD1-CE2 3.47Å; L313-F483 VanDerWaalsContact CD1-CE2 3.47Å; L313-F483 HydrophobicContact CD1-CG 4.32Å; L313-F483 HydrophobicContact CD1-CZ 3.62Å; L313-F483 HydrophobicContact CD2-CD2 4.11Å; L313-F483 HydrophobicContact CD2-CE2 4.12Å; L313-F483 HydrophobicContact CG-CD2 4.29Å; L313-F483 HydrophobicContact CG-CE2 3.86Å; L313-F483 HydrophobicContact CG-CZ 4.38Å |
| 314 | K | 87.8 | Confident | 89.7 | Confident | 110 Ų | 110 | 44.2 Ų | 44.2 | 48% | 0.478 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 2.6 | 174 | -59.4 | -162.1 | -176.4 | -161.2 | 0 | 113.4 | K311 L312 E443 | K311-K314 PolarHBondContact O-N 3.19Å; L312-K314 PolarHBondContact O-N 2.99Å; L312-K314 VanDerWaalsContact O-N 3.07Å; K314-E443 VanDerWaalsContact CE-OE1 3.28Å; K314-E443 WeakPolarHBondContact CE-OE1 3.29Å; K314-E443 IonicContact NZ-OE1 3.69Å; K314-E443 PolarHBondContact NZ-OE1 2.91Å |
| 315 | W | 87.4 | Confident | 89.7 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | trans | -78.4 | 132.6 | -166.4 | -151.9 | -27.4 | 0 | 0 | 0 | 109.4 | W267 K311 L312 H317 R320 P321 P323 Q337 | W267-W315 HydrophobicContact CB-CH2 4.25Å; W267-W315 AromaticContact CD1-CH2 3.84Å; W267-W315 AromaticContact CD1-CZ3 3.47Å; W267-W315 VanDerWaalsContact CD1-CZ3 3.47Å; W267-W315 HydrophobicContact CG-CH2 4.26Å; W267-W315 HydrophobicContact CG-CZ3 4.14Å; W267-W315 AromaticContact NE1-CZ3 3.95Å; K311-W315 PolarHBondContact O-N 2.87Å; L312-W315 HydrophobicContact CD2-CE3 3.36Å; L312-W315 HydrophobicContact CD2-CZ3 3.37Å; L312-W315 VanDerWaalsContact O-CB 3.3Å; L312-W315 WeakPolarHBondContact O-CB 3.19Å; L312-W315 PolarHBondContact O-N 3.47Å; W315-H317 VanDerWaalsContact C-N 3.29Å; W315-H317 PolarHBondContact O-N 3.26Å; W315-R320 HydrophobicContact CZ2-CB 4.34Å; W315-P321 WeakPolarHBondContact CZ2-O 3.43Å; W315-P323 HydrophobicContact CH2-CG 4.38Å; W315-P323 HydrophobicContact CZ3-CG 4.07Å; W315-Q337 PolarHBondContact O-NE2 3.24Å | ||
| 316 | D | 85.4 | Confident | 89.8 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | trans | -66 | 93.7 | 160.8 | -177.7 | -17.9 | 0 | 0 | 0 | 108.8 | L318 Q319 R320 | D316-L318 PolarHBondContact O-N 3.36Å; D316-L318 WeakPolarHBondContact OD1-CA 3.24Å; D316-L318 VanDerWaalsContact OD1-CB 3.31Å; D316-L318 WeakPolarHBondContact OD1-CB 3.36Å; D316-L318 PolarHBondContact OD1-N 2.94Å; D316-Q319 PolarHBondContact OD1-N 3.01Å; D316-Q319 WeakPolarHBondContact OD2-CG 3.48Å; D316-Q319 PolarHBondContact OD2-NE2 3.07Å; D316-R320 PolarHBondContact O-N 2.9Å | ||
| 317 | H | 85 | Confident | 89.7 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 18% | 0.181 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -7.2 | 178.6 | -59.7 | -46.2 | 0 | 0 | 0 | 113.7 | L312 W315 F322 H334 Q337 | L312-H317 PolarHBondContact O-CE1 3.25Å; L312-H317 VanDerWaalsContact O-CE1 3.22Å; W315-H317 VanDerWaalsContact C-N 3.29Å; W315-H317 PolarHBondContact O-N 3.26Å; H317-F322 HydrophobicContact CB-CE2 4.06Å; H317-F322 AromaticContact CD2-CZ 3.96Å; H317-F322 AromaticContact CE1-CE1 3.67Å; H317-F322 AromaticContact CE1-CE2 3.67Å; H317-F322 AromaticContact CE1-CZ 3.11Å; H317-F322 WeakPolarHBondContact CE1-CZ 3.46Å; H317-F322 AromaticContact CG-CE2 3.61Å; H317-F322 AromaticContact CG-CZ 3.8Å; H317-F322 AromaticContact ND1-CE2 3.26Å; H317-F322 VanDerWaalsContact ND1-CE2 3.26Å; H317-F322 WeakPolarHBondContact ND1-CE2 3.3Å; H317-F322 AromaticContact ND1-CZ 3.26Å; H317-F322 VanDerWaalsContact ND1-CZ 3.26Å; H317-F322 WeakPolarHBondContact ND1-CZ 3.39Å; H317-F322 AromaticContact NE2-CZ 3.55Å; H317-H334 AromaticContact CD2-ND1 3.68Å; H317-Q337 PolarHBondContact CD2-OE1 3.16Å; H317-Q337 PolarHBondContact NE2-OE1 3.3Å |
| 318 | L | 81.6 | Confident | 89.7 | Confident | 172 Ų | 172 | 47.8 Ų | 47.8 | 90% | 0.901 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -38 | 175.7 | -57.5 | 173.4 | 0 | 0 | 0 | 111.2 | D316 | D316-L318 PolarHBondContact O-N 3.36Å; D316-L318 WeakPolarHBondContact OD1-CA 3.24Å; D316-L318 VanDerWaalsContact OD1-CB 3.31Å; D316-L318 WeakPolarHBondContact OD1-CB 3.36Å; D316-L318 PolarHBondContact OD1-N 2.94Å |
| 319 | Q | 82.6 | Confident | 89.7 | Confident | 161 Ų | 161 | 47.9 Ų | 47.9 | 75% | 0.752 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -18.4 | -176.1 | -69 | -172.5 | 64.2 | 0 | 0 | 114.7 | D316 | D316-Q319 PolarHBondContact OD1-N 3.01Å; D316-Q319 WeakPolarHBondContact OD2-CG 3.48Å; D316-Q319 PolarHBondContact OD2-NE2 3.07Å |
| 320 | R | 86.8 | Confident | 89.5 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 45% | 0.445 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -136.2 | 134.6 | -172.1 | -65.9 | 179.8 | 172.2 | -147.9 | 6.5 | 111 | E270 W315 D316 | E270-R320 IonicContact OE1-NH1 2.68Å; E270-R320 IonicContact OE2-NH1 3.97Å; E270-R320 PolarHBondContact OE2-NH1 3.2Å; W315-R320 HydrophobicContact CZ2-CB 4.34Å; D316-R320 PolarHBondContact O-N 2.9Å |
| 321 | P | 87.2 | Confident | 89.4 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 154.4 | -176 | 30.9 | -35.5 | 0 | 0 | 0 | 112.7 | F263 W315 | F263-P321 HydrophobicContact CD1-CG 3.65Å; F263-P321 HydrophobicContact CD2-CG 4.5Å; F263-P321 HydrophobicContact CE1-CG 3.53Å; F263-P321 HydrophobicContact CE2-CG 4.4Å; F263-P321 HydrophobicContact CG-CG 4.15Å; F263-P321 HydrophobicContact CZ-CG 3.93Å; W315-P321 WeakPolarHBondContact CZ2-O 3.43Å |
| 322 | F | 91.2 | Very high | 89.5 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 153 | 167.7 | -84.6 | -94.9 | 0 | 0 | 0 | 111.8 | H317 V326 L327 Q330 F333 | H317-F322 HydrophobicContact CB-CE2 4.06Å; H317-F322 AromaticContact CD2-CZ 3.96Å; H317-F322 AromaticContact CE1-CE1 3.67Å; H317-F322 AromaticContact CE1-CE2 3.67Å; H317-F322 AromaticContact CE1-CZ 3.11Å; H317-F322 WeakPolarHBondContact CE1-CZ 3.46Å; H317-F322 AromaticContact CG-CE2 3.61Å; H317-F322 AromaticContact CG-CZ 3.8Å; H317-F322 AromaticContact ND1-CE2 3.26Å; H317-F322 VanDerWaalsContact ND1-CE2 3.26Å; H317-F322 WeakPolarHBondContact ND1-CE2 3.3Å; H317-F322 AromaticContact ND1-CZ 3.26Å; H317-F322 VanDerWaalsContact ND1-CZ 3.26Å; H317-F322 WeakPolarHBondContact ND1-CZ 3.39Å; H317-F322 AromaticContact NE2-CZ 3.55Å; F322-V326 HydrophobicContact CD1-CB 4.4Å; F322-V326 HydrophobicContact CD1-CG1 3.85Å; F322-V326 HydrophobicContact CE1-CG1 4.29Å; F322-L327 HydrophobicContact CB-CD2 4.12Å; F322-Q330 HydrophobicContact CB-CG 4.06Å; F322-Q330 HydrophobicContact CD1-CG 4.26Å; F322-Q330 HydrophobicContact CD2-CB 3.91Å; F322-Q330 HydrophobicContact CD2-CG 3.53Å; F322-Q330 HydrophobicContact CE2-CB 3.71Å; F322-Q330 HydrophobicContact CE2-CG 3.89Å; F322-Q330 HydrophobicContact CG-CB 4.39Å; F322-Q330 HydrophobicContact CG-CG 3.72Å; F322-Q330 HydrophobicContact CZ-CB 4.03Å; F322-Q330 HydrophobicContact CZ-CG 4.39Å; F322-F333 HydrophobicContact CE1-CB 3.67Å; F322-F333 HydrophobicContact CE1-CD2 4.34Å; F322-F333 HydrophobicContact CE1-CG 4.18Å; F322-F333 HydrophobicContact CZ-CB 3.92Å |
| 323 | P | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 147.2 | 170.1 | -20.4 | 32.2 | 0 | 0 | 0 | 112.3 | V264 W267 L312 W315 T325 V326 | V264-P323 HydrophobicContact CB-CB 4.47Å; V264-P323 HydrophobicContact CG2-CB 3.67Å; W267-P323 HydrophobicContact CB-CG 3.97Å; W267-P323 HydrophobicContact CD2-CB 4.25Å; W267-P323 HydrophobicContact CD2-CG 3.45Å; W267-P323 VanDerWaalsContact CD2-CG 3.45Å; W267-P323 HydrophobicContact CE3-CB 3.93Å; W267-P323 HydrophobicContact CE3-CG 3.64Å; W267-P323 HydrophobicContact CG-CG 3.63Å; W267-P323 HydrophobicContact CZ3-CB 4.42Å; W267-P323 HydrophobicContact CZ3-CG 4.27Å; L312-P323 HydrophobicContact CD2-CG 4.3Å; W315-P323 HydrophobicContact CH2-CG 4.38Å; W315-P323 HydrophobicContact CZ3-CG 4.07Å; P323-T325 PolarHBondContact O-N 2.94Å; P323-T325 VanDerWaalsContact O-N 3.15Å; P323-V326 HydrophobicContact CB-CG2 4.17Å; P323-V326 HydrophobicContact CG-CG2 4.34Å; P323-V326 PolarHBondContact O-N 2.96Å |
| 324 | E | 91.3 | Very high | 89.5 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -61.1 | -28.5 | -173.6 | -59.6 | 95.3 | 152.4 | 0 | 0 | 113.6 | S260 L261 D262 F263 V264 V326 L327 | S260-E324 WeakPolarHBondContact O-CB 3.43Å; S260-E324 VanDerWaalsContact O-CD 3.29Å; S260-E324 WeakPolarHBondContact O-CG 3.5Å; L261-E324 WeakPolarHBondContact CA-OE1 3.48Å; L261-E324 PolarHBondContact N-OE1 3.28Å; D262-E324 PolarHBondContact N-OE1 3.22Å; F263-E324 WeakPolarHBondContact CB-OE2 3.28Å; F263-E324 HydrophobicContact CD2-CG 4.21Å; F263-E324 WeakPolarHBondContact CD2-OE1 3.45Å; F263-E324 PolarHBondContact N-OE1 2.91Å; F263-E324 PolarHBondContact N-OE2 2.72Å; V264-E324 HydrophobicContact CG2-CB 4.49Å; V264-E324 WeakPolarHBondContact CG2-OE2 3.31Å; V264-E324 PolarHBondContact N-OE2 3.41Å; E324-V326 VanDerWaalsContact C-N 3.3Å; E324-V326 PolarHBondContact O-N 3.42Å; E324-L327 HydrophobicContact CB-CD1 4.45Å; E324-L327 WeakPolarHBondContact O-CG 3.37Å |
| 325 | T | 92.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -79.2 | -5.7 | 175.5 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | F250 L261 V264 P323 N490 F494 Y498 | F250-T325 HydrophobicContact CE1-CG2 4.36Å; F250-T325 HydrophobicContact CE2-CG2 4.31Å; F250-T325 HydrophobicContact CZ-CG2 3.86Å; L261-T325 HydrophobicContact CD2-CG2 4.31Å; V264-T325 HydrophobicContact CG2-CG2 3.92Å; V264-T325 WeakPolarHBondContact CG2-OG1 3.39Å; P323-T325 PolarHBondContact O-N 2.94Å; P323-T325 VanDerWaalsContact O-N 3.15Å; T325-N490 PolarHBondContact O-ND2 3.32Å; T325-F494 HydrophobicContact CG2-CB 3.96Å; T325-F494 HydrophobicContact CG2-CD1 3.58Å; T325-F494 HydrophobicContact CG2-CD2 4.17Å; T325-F494 HydrophobicContact CG2-CE1 4.12Å; T325-F494 HydrophobicContact CG2-CG 3.62Å; T325-F494 WeakPolarHBondContact O-CE2 3.4Å; T325-Y498 VanDerWaalsContact CB-OH 3.24Å; T325-Y498 WeakPolarHBondContact CB-OH 3.38Å; T325-Y498 HydrophobicContact CG2-CE1 4.09Å; T325-Y498 WeakPolarHBondContact OG1-CE1 3.17Å; T325-Y498 PolarHBondContact OG1-OH 2.68Å |
| 326 | V | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -115.6 | 1.7 | -175.5 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | L312 F322 P323 E324 M328 D329 Q330 F333 | L312-V326 HydrophobicContact CD1-CG1 4.18Å; F322-V326 HydrophobicContact CD1-CB 4.4Å; F322-V326 HydrophobicContact CD1-CG1 3.85Å; F322-V326 HydrophobicContact CE1-CG1 4.29Å; P323-V326 HydrophobicContact CB-CG2 4.17Å; P323-V326 HydrophobicContact CG-CG2 4.34Å; P323-V326 PolarHBondContact O-N 2.96Å; E324-V326 VanDerWaalsContact C-N 3.3Å; E324-V326 PolarHBondContact O-N 3.42Å; V326-M328 VanDerWaalsContact C-N 3.26Å; V326-M328 PolarHBondContact O-N 3.49Å; V326-M328 VanDerWaalsContact O-N 3.14Å; V326-D329 HydrophobicContact CG1-CB 4.28Å; V326-D329 PolarHBondContact O-N 2.69Å; V326-Q330 PolarHBondContact O-N 2.95Å; V326-F333 HydrophobicContact CG1-CD2 3.54Å; V326-F333 HydrophobicContact CG1-CE2 3.41Å; V326-F333 VanDerWaalsContact CG1-CE2 3.41Å; V326-F333 HydrophobicContact CG1-CZ 4.32Å |
| 327 | L | 90.2 | Very high | 90.5 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.3 | -173.1 | -59.2 | 177.3 | 0 | 0 | 0 | 115 | F322 E324 D329 Q330 | F322-L327 HydrophobicContact CB-CD2 4.12Å; E324-L327 HydrophobicContact CB-CD1 4.45Å; E324-L327 WeakPolarHBondContact O-CG 3.37Å; L327-D329 VanDerWaalsContact C-N 3.33Å; L327-Q330 WeakPolarHBondContact O-CG 3.32Å |
| 328 | M | 90.3 | Very high | 90.8 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.9 | 174.9 | -65 | -171.1 | -69.3 | 0 | 0 | 113.2 | M76 A77 H80 E246 V326 | M76-M328 HydrophobicContact CE-CE 4.07Å; M76-M328 HydrophobicContact CE-SD 3.91Å; M76-M328 HydrophobicContact CG-SD 4.49Å; A77-M328 HydrophobicContact CB-SD 4.11Å; H80-M328 HydrophobicContact CB-CE 4.14Å; H80-M328 HydrophobicContact CB-SD 4.19Å; H80-M328 WeakPolarHBondContact ND1-CE 3.41Å; E246-M328 HydrophobicContact CG-CE 4.05Å; E246-M328 WeakPolarHBondContact OE1-CE 3.48Å; V326-M328 VanDerWaalsContact C-N 3.26Å; V326-M328 PolarHBondContact O-N 3.49Å; V326-M328 VanDerWaalsContact O-N 3.14Å |
| 329 | D | 93.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -109 | 2.8 | -172.2 | -70 | -49.6 | 0 | 0 | 0 | 113.8 | H80 V326 L327 S331 R332 F333 L486 | H80-D329 IonicContact CE1-OD1 2.59Å; H80-D329 IonicContact CE1-OD2 2.7Å; H80-D329 IonicContact NE2-OD1 2.7Å; H80-D329 PolarHBondContact NE2-OD1 3.36Å; H80-D329 IonicContact NE2-OD2 3.58Å; V326-D329 HydrophobicContact CG1-CB 4.28Å; V326-D329 PolarHBondContact O-N 2.69Å; L327-D329 VanDerWaalsContact C-N 3.33Å; D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 PolarHBondContact O-N 3.22Å; D329-R332 WeakPolarHBondContact O-CA 3.13Å; D329-R332 WeakPolarHBondContact O-CB 3.49Å; D329-R332 PolarHBondContact O-N 2.97Å; D329-R332 WeakPolarHBondContact OD1-CD 3.21Å; D329-R332 IonicContact OD1-CZ 2.62Å; D329-R332 IonicContact OD1-NH1 3.21Å; D329-R332 PolarHBondContact OD1-NH1 3.36Å; D329-F333 HydrophobicContact CB-CD2 3.71Å; D329-F333 HydrophobicContact CB-CE2 3.68Å; D329-F333 WeakPolarHBondContact O-CD2 3.21Å; D329-F333 PolarHBondContact O-N 3.48Å; D329-L486 HydrophobicContact CB-CD1 4.09Å; D329-L486 HydrophobicContact CB-CG 4.47Å; D329-L486 VanDerWaalsContact CG-CD1 3.47Å; D329-L486 WeakPolarHBondContact OD1-CD1 3.21Å |
| 330 | Q | 91.9 | Very high | 91.9 | Very high | 81 Ų | 81 | 42 Ų | 42 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -50 | -47.4 | -173.9 | -61 | -175.9 | -6.6 | 0 | 0 | 113.3 | F322 V326 L327 R332 F333 H334 | F322-Q330 HydrophobicContact CB-CG 4.06Å; F322-Q330 HydrophobicContact CD1-CG 4.26Å; F322-Q330 HydrophobicContact CD2-CB 3.91Å; F322-Q330 HydrophobicContact CD2-CG 3.53Å; F322-Q330 HydrophobicContact CE2-CB 3.71Å; F322-Q330 HydrophobicContact CE2-CG 3.89Å; F322-Q330 HydrophobicContact CG-CB 4.39Å; F322-Q330 HydrophobicContact CG-CG 3.72Å; F322-Q330 HydrophobicContact CZ-CB 4.03Å; F322-Q330 HydrophobicContact CZ-CG 4.39Å; V326-Q330 PolarHBondContact O-N 2.95Å; L327-Q330 WeakPolarHBondContact O-CG 3.32Å; Q330-R332 VanDerWaalsContact C-N 3.32Å; Q330-R332 PolarHBondContact O-N 2.78Å; Q330-F333 PolarHBondContact O-N 3.17Å; Q330-H334 WeakPolarHBondContact O-CB 3.5Å; Q330-H334 PolarHBondContact O-N 3Å |
| 331 | S | 91.4 | Very high | 92.1 | Very high | 88 Ų | 88 | 39.8 Ų | 39.8 | 62% | 0.615 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.3 | -34.8 | 179 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | D329 E335 | D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 PolarHBondContact O-N 3.22Å; S331-E335 WeakPolarHBondContact O-CB 3.27Å; S331-E335 PolarHBondContact O-N 3.46Å |
| 332 | R | 93 | Very high | 92.4 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 15% | 0.151 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.9 | -44.4 | 176.1 | -61.9 | 177.7 | 174.9 | 118.4 | 7.8 | 111.4 | H80 E81 D329 Q330 H334 E335 L336 L486 | H80-R332 PolarHBondContact NE2-NH1 3.24Å; H80-R332 VanDerWaalsContact NE2-NH1 3.17Å; E81-R332 IonicContact OE1-NH2 3.13Å; E81-R332 PolarHBondContact OE1-NH2 2.96Å; E81-R332 VanDerWaalsContact OE1-NH2 3.11Å; E81-R332 IonicContact OE2-CZ 3.37Å; E81-R332 IonicContact OE2-NH2 3.97Å; E81-R332 PolarHBondContact OE2-NH2 3.45Å; D329-R332 WeakPolarHBondContact O-CA 3.13Å; D329-R332 WeakPolarHBondContact O-CB 3.49Å; D329-R332 PolarHBondContact O-N 2.97Å; D329-R332 WeakPolarHBondContact OD1-CD 3.21Å; D329-R332 IonicContact OD1-CZ 2.62Å; D329-R332 IonicContact OD1-NH1 3.21Å; D329-R332 PolarHBondContact OD1-NH1 3.36Å; Q330-R332 VanDerWaalsContact C-N 3.32Å; Q330-R332 PolarHBondContact O-N 2.78Å; R332-H334 VanDerWaalsContact C-N 3.33Å; R332-H334 PolarHBondContact O-N 3.38Å; R332-E335 PolarHBondContact O-N 2.9Å; R332-L336 WeakPolarHBondContact O-CB 3.38Å; R332-L336 WeakPolarHBondContact O-CG 3.43Å; R332-L336 PolarHBondContact O-N 2.94Å; R332-L486 HydrophobicContact CB-CD1 4.44Å; R332-L486 HydrophobicContact CB-CD2 3.87Å |
| 333 | F | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 175.9 | -81.4 | -75.4 | 0 | 0 | 0 | 111.9 | Y309 L312 L313 F322 V326 D329 Q330 L336 Q337 F483 L486 V487 | Y309-F333 HydrophobicContact CD1-CE1 4.42Å; Y309-F333 HydrophobicContact CD1-CZ 4.1Å; Y309-F333 HydrophobicContact CE1-CZ 4.47Å; L312-F333 HydrophobicContact CB-CD1 4Å; L312-F333 HydrophobicContact CB-CE1 4.42Å; L312-F333 HydrophobicContact CD1-CD1 3.72Å; L312-F333 HydrophobicContact CD1-CD2 4.33Å; L312-F333 HydrophobicContact CD1-CE1 3.51Å; L312-F333 HydrophobicContact CD1-CE2 4.16Å; L312-F333 HydrophobicContact CD1-CG 4.15Å; L312-F333 HydrophobicContact CD1-CZ 3.74Å; L313-F333 HydrophobicContact CD2-CD1 4.18Å; F322-F333 HydrophobicContact CE1-CB 3.67Å; F322-F333 HydrophobicContact CE1-CD2 4.34Å; F322-F333 HydrophobicContact CE1-CG 4.18Å; F322-F333 HydrophobicContact CZ-CB 3.92Å; V326-F333 HydrophobicContact CG1-CD2 3.54Å; V326-F333 HydrophobicContact CG1-CE2 3.41Å; V326-F333 VanDerWaalsContact CG1-CE2 3.41Å; V326-F333 HydrophobicContact CG1-CZ 4.32Å; D329-F333 HydrophobicContact CB-CD2 3.71Å; D329-F333 HydrophobicContact CB-CE2 3.68Å; D329-F333 WeakPolarHBondContact O-CD2 3.21Å; D329-F333 PolarHBondContact O-N 3.48Å; Q330-F333 PolarHBondContact O-N 3.17Å; F333-L336 PolarHBondContact O-N 3.46Å; F333-Q337 PolarHBondContact O-N 2.88Å; F333-F483 HydrophobicContact CE1-CD2 4.08Å; F333-F483 AromaticContact CE1-CE2 3.93Å; F333-F483 HydrophobicContact CE1-CE2 3.93Å; F333-L486 HydrophobicContact CD1-CD2 4.27Å; F333-L486 HydrophobicContact CD2-CD2 3.78Å; F333-L486 HydrophobicContact CE1-CD2 3.96Å; F333-L486 HydrophobicContact CE2-CD2 3.42Å; F333-L486 VanDerWaalsContact CE2-CD2 3.42Å; F333-L486 HydrophobicContact CE2-CG 3.8Å; F333-L486 HydrophobicContact CG-CD2 4.18Å; F333-L486 HydrophobicContact CZ-CD2 3.53Å; F333-L486 HydrophobicContact CZ-CG 3.86Å; F333-V487 HydrophobicContact CE1-CG2 4.45Å; F333-V487 HydrophobicContact CZ-CG2 4.39Å |
| 334 | H | 91.9 | Very high | 92.5 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 172.7 | -171.3 | 45.5 | 0 | 0 | 0 | 112 | H317 Q330 R332 L336 Q337 L338 | H317-H334 AromaticContact CD2-ND1 3.68Å; Q330-H334 WeakPolarHBondContact O-CB 3.5Å; Q330-H334 PolarHBondContact O-N 3Å; R332-H334 VanDerWaalsContact C-N 3.33Å; R332-H334 PolarHBondContact O-N 3.38Å; H334-L336 VanDerWaalsContact C-N 3.25Å; H334-L336 PolarHBondContact O-N 2.91Å; H334-Q337 PolarHBondContact ND1-OE1 3.31Å; H334-Q337 WeakPolarHBondContact O-CB 3.35Å; H334-Q337 PolarHBondContact O-N 3.44Å; H334-Q337 VanDerWaalsContact O-N 3.14Å; H334-L338 VanDerWaalsContact O-CG 3.32Å; H334-L338 WeakPolarHBondContact O-CG 3.26Å; H334-L338 PolarHBondContact O-N 3.48Å |
| 335 | E | 92.4 | Very high | 92.5 | Very high | 86 Ų | 86 | 37.6 Ų | 37.6 | 40% | 0.402 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -54.7 | -42.3 | 173.6 | -170.8 | -158.9 | 127.1 | 0 | 0 | 111.7 | S331 R332 L338 Q339 K482 | S331-E335 WeakPolarHBondContact O-CB 3.27Å; S331-E335 PolarHBondContact O-N 3.46Å; R332-E335 PolarHBondContact O-N 2.9Å; E335-L338 PolarHBondContact O-N 3.27Å; E335-Q339 WeakPolarHBondContact O-CB 3.33Å; E335-Q339 VanDerWaalsContact O-CG 3.31Å; E335-Q339 WeakPolarHBondContact O-CG 3.44Å; E335-Q339 PolarHBondContact O-N 3.21Å; E335-Q339 PolarHBondContact OE1-NE2 2.8Å; E335-K482 IonicContact OE1-NZ 2.95Å; E335-K482 PolarHBondContact OE1-NZ 3.45Å |
| 336 | L | 94.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 177.2 | -69.5 | 166.7 | 0 | 0 | 0 | 112.1 | L313 R332 F333 H334 Q339 L340 V479 K482 F483 L486 | L313-L336 HydrophobicContact CD2-CB 3.7Å; R332-L336 WeakPolarHBondContact O-CB 3.38Å; R332-L336 WeakPolarHBondContact O-CG 3.43Å; R332-L336 PolarHBondContact O-N 2.94Å; F333-L336 PolarHBondContact O-N 3.46Å; H334-L336 VanDerWaalsContact C-N 3.25Å; H334-L336 PolarHBondContact O-N 2.91Å; L336-Q339 PolarHBondContact O-N 3.22Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 WeakPolarHBondContact O-CD1 3.28Å; L336-L340 WeakPolarHBondContact O-CG 3.4Å; L336-L340 PolarHBondContact O-N 3.09Å; L336-V479 HydrophobicContact CD2-CG1 3.92Å; L336-K482 HydrophobicContact CD2-CB 3.78Å; L336-K482 HydrophobicContact CD2-CD 3.9Å; L336-F483 HydrophobicContact CD1-CB 4.14Å; L336-F483 HydrophobicContact CD1-CD2 4.34Å; L336-L486 HydrophobicContact CD1-CD2 3.89Å |
| 337 | Q | 93.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.075 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.1 | -52.5 | 171.3 | 167.8 | -176.3 | 58.5 | 0 | 0 | 111.1 | W315 H317 F333 H334 Q339 L340 E341 | W315-Q337 PolarHBondContact O-NE2 3.24Å; H317-Q337 PolarHBondContact CD2-OE1 3.16Å; H317-Q337 PolarHBondContact NE2-OE1 3.3Å; F333-Q337 PolarHBondContact O-N 2.88Å; H334-Q337 PolarHBondContact ND1-OE1 3.31Å; H334-Q337 WeakPolarHBondContact O-CB 3.35Å; H334-Q337 PolarHBondContact O-N 3.44Å; H334-Q337 VanDerWaalsContact O-N 3.14Å; Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 3.32Å; Q337-L340 PolarHBondContact O-N 3.15Å; Q337-L340 VanDerWaalsContact O-N 3.12Å; Q337-E341 PolarHBondContact O-N 3.44Å |
| 338 | L | 92.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 33.3 Ų | 33.3 | 25% | 0.246 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -38.6 | -179.9 | -63.5 | -168.4 | 0 | 0 | 0 | 112 | H334 E335 Q342 H383 | H334-L338 VanDerWaalsContact O-CG 3.32Å; H334-L338 WeakPolarHBondContact O-CG 3.26Å; H334-L338 PolarHBondContact O-N 3.48Å; E335-L338 PolarHBondContact O-N 3.27Å; L338-Q342 PolarHBondContact O-N 2.85Å; L338-H383 WeakPolarHBondContact CA-NE2 3.49Å; L338-H383 HydrophobicContact CD1-CB 4.35Å; L338-H383 HydrophobicContact CD2-CB 4.28Å; L338-H383 PolarHBondContact O-NE2 3.34Å |
| 339 | Q | 92.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 30.8 Ų | 30.8 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66 | -45.2 | 173.7 | -77.3 | 169.3 | 12.5 | 0 | 0 | 111.7 | E335 L336 Q337 E341 Q342 L343 V479 | E335-Q339 WeakPolarHBondContact O-CB 3.33Å; E335-Q339 VanDerWaalsContact O-CG 3.31Å; E335-Q339 WeakPolarHBondContact O-CG 3.44Å; E335-Q339 PolarHBondContact O-N 3.21Å; E335-Q339 PolarHBondContact OE1-NE2 2.8Å; L336-Q339 PolarHBondContact O-N 3.22Å; Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 3.32Å; Q339-E341 PolarHBondContact O-N 2.93Å; Q339-Q342 PolarHBondContact O-N 3.48Å; Q339-L343 WeakPolarHBondContact O-CB 3.41Å; Q339-L343 WeakPolarHBondContact O-CD1 3.37Å; Q339-L343 PolarHBondContact O-N 3.15Å; Q339-V479 HydrophobicContact CB-CG2 4.19Å |
| 340 | L | 93.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -37.1 | -179.5 | -73.2 | 163.8 | 0 | 0 | 0 | 113 | L313 L336 Q337 L343 T344 I446 L450 V479 | L313-L340 HydrophobicContact CB-CD1 4.06Å; L313-L340 HydrophobicContact CD1-CD1 3.66Å; L313-L340 HydrophobicContact CD2-CD1 3.97Å; L313-L340 HydrophobicContact CG-CD1 4.11Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 WeakPolarHBondContact O-CD1 3.28Å; L336-L340 WeakPolarHBondContact O-CG 3.4Å; L336-L340 PolarHBondContact O-N 3.09Å; Q337-L340 PolarHBondContact O-N 3.15Å; Q337-L340 VanDerWaalsContact O-N 3.12Å; L340-L343 PolarHBondContact O-N 3.22Å; L340-T344 WeakPolarHBondContact O-CB 3.26Å; L340-T344 PolarHBondContact O-N 3.37Å; L340-T344 PolarHBondContact O-OG1 3.41Å; L340-I446 HydrophobicContact CD2-CG2 3.47Å; L340-I446 VanDerWaalsContact CD2-CG2 3.47Å; L340-L450 HydrophobicContact CD1-CD1 3.97Å; L340-L450 HydrophobicContact CD2-CD1 3.9Å; L340-V479 HydrophobicContact CD1-CG1 4.36Å; L340-V479 HydrophobicContact CD2-CG1 3.71Å; L340-V479 HydrophobicContact CG-CG1 3.88Å |
| 341 | E | 92.3 | Very high | 92.4 | Very high | 72 Ų | 72 | 29.1 Ų | 29.1 | 34% | 0.336 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.9 | -45 | 173.7 | -72.6 | -176.8 | -159.8 | 0 | 0 | 111.7 | Q337 Q339 L343 T344 V345 M382 H383 | Q337-E341 PolarHBondContact O-N 3.44Å; Q339-E341 PolarHBondContact O-N 2.93Å; E341-L343 PolarHBondContact O-N 2.87Å; E341-T344 WeakPolarHBondContact O-CB 3.46Å; E341-T344 PolarHBondContact O-N 3.26Å; E341-V345 PolarHBondContact O-N 2.94Å; E341-M382 HydrophobicContact CB-CE 3.89Å; E341-H383 IonicContact OE2-CE1 2.94Å |
| 342 | Q | 93 | Very high | 92.4 | Very high | 37 Ų | 37 | 25 Ų | 25 | 17% | 0.173 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.8 | -169.3 | -170.5 | 78.6 | 0 | 0 | 111 | L338 Q339 T344 V345 L346 L379 M382 | L338-Q342 PolarHBondContact O-N 2.85Å; Q339-Q342 PolarHBondContact O-N 3.48Å; Q342-T344 VanDerWaalsContact C-N 3.31Å; Q342-T344 PolarHBondContact O-N 2.92Å; Q342-V345 PolarHBondContact O-N 2.93Å; Q342-L346 WeakPolarHBondContact O-CB 3.36Å; Q342-L346 PolarHBondContact O-N 3.37Å; Q342-L379 HydrophobicContact CG-CB 3.97Å; Q342-L379 HydrophobicContact CG-CD1 4.44Å; Q342-L379 PolarHBondContact NE2-O 3.34Å; Q342-M382 HydrophobicContact CB-CE 4.17Å |
| 343 | L | 92.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.6 | -36.5 | 173.5 | -100.2 | 126.8 | 0 | 0 | 0 | 112.7 | Q339 L340 E341 G347 V472 E475 L476 V479 | Q339-L343 WeakPolarHBondContact O-CB 3.41Å; Q339-L343 WeakPolarHBondContact O-CD1 3.37Å; Q339-L343 PolarHBondContact O-N 3.15Å; L340-L343 PolarHBondContact O-N 3.22Å; E341-L343 PolarHBondContact O-N 2.87Å; L343-G347 PolarHBondContact O-N 2.74Å; L343-V472 HydrophobicContact CD2-CB 4.07Å; L343-V472 HydrophobicContact CD2-CG2 4.21Å; L343-E475 HydrophobicContact CD1-CB 4.46Å; L343-E475 HydrophobicContact CD2-CB 4.01Å; L343-E475 HydrophobicContact CG-CB 4.49Å; L343-L476 HydrophobicContact CD2-CB 4.04Å; L343-V479 HydrophobicContact CD1-CG2 3.93Å |
| 344 | T | 92.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 24.8 Ų | 24.8 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.9 | -45.8 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | L340 E341 Q342 A348 R439 M442 E443 I446 | L340-T344 WeakPolarHBondContact O-CB 3.26Å; L340-T344 PolarHBondContact O-N 3.37Å; L340-T344 PolarHBondContact O-OG1 3.41Å; E341-T344 WeakPolarHBondContact O-CB 3.46Å; E341-T344 PolarHBondContact O-N 3.26Å; Q342-T344 VanDerWaalsContact C-N 3.31Å; Q342-T344 PolarHBondContact O-N 2.92Å; T344-A348 WeakPolarHBondContact O-CB 3.29Å; T344-A348 PolarHBondContact O-N 3.44Å; T344-R439 HydrophobicContact CG2-CG 3.88Å; T344-M442 HydrophobicContact CG2-CB 4.05Å; T344-E443 HydrophobicContact CG2-CB 4.07Å; T344-I446 WeakPolarHBondContact OG1-CD1 3.29Å |
| 345 | V | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 175.3 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | E341 Q342 G347 A348 V349 L379 M382 L389 L393 V431 | E341-V345 PolarHBondContact O-N 2.94Å; Q342-V345 PolarHBondContact O-N 2.93Å; V345-G347 PolarHBondContact O-N 3.48Å; V345-A348 PolarHBondContact O-N 3.12Å; V345-V349 HydrophobicContact CG1-CG2 4.48Å; V345-V349 WeakPolarHBondContact O-CG2 3.47Å; V345-V349 PolarHBondContact O-N 3.33Å; V345-L379 HydrophobicContact CB-CD1 4.11Å; V345-L379 HydrophobicContact CG1-CD1 3.74Å; V345-L379 HydrophobicContact CG1-CD2 4.17Å; V345-M382 HydrophobicContact CB-SD 4.43Å; V345-M382 HydrophobicContact CG2-CE 4.5Å; V345-M382 HydrophobicContact CG2-SD 4.07Å; V345-L389 HydrophobicContact CG1-CD1 4.34Å; V345-L393 HydrophobicContact CG1-CD2 4.03Å; V345-V431 HydrophobicContact CG1-CG1 4.09Å; V345-V431 HydrophobicContact CG2-CG1 4.48Å |
| 346 | L | 92.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 176.8 | 176.7 | 63.1 | 0 | 0 | 0 | 112 | Q342 V349 L350 K372 V375 L379 V472 | Q342-L346 WeakPolarHBondContact O-CB 3.36Å; Q342-L346 PolarHBondContact O-N 3.37Å; L346-V349 PolarHBondContact O-N 2.91Å; L346-L350 HydrophobicContact CD1-CD1 3.84Å; L346-L350 HydrophobicContact CD1-CG 4.29Å; L346-L350 HydrophobicContact CG-CD1 4.01Å; L346-L350 WeakPolarHBondContact O-CB 3.27Å; L346-L350 VanDerWaalsContact O-CG 3.29Å; L346-L350 WeakPolarHBondContact O-CG 3.26Å; L346-L350 PolarHBondContact O-N 2.87Å; L346-K372 HydrophobicContact CD1-CG 4.27Å; L346-K372 HydrophobicContact CD2-CD 4.47Å; L346-K372 HydrophobicContact CD2-CG 4.18Å; L346-V375 HydrophobicContact CD1-CB 3.63Å; L346-V375 HydrophobicContact CD1-CG1 3.48Å; L346-V375 VanDerWaalsContact CD1-CG1 3.48Å; L346-L379 HydrophobicContact CB-CD1 4.47Å; L346-V472 HydrophobicContact CD2-CG1 3.77Å; L346-V472 HydrophobicContact CG-CG1 3.86Å |
| 347 | G | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L343 V345 L351 | L343-G347 PolarHBondContact O-N 2.74Å; V345-G347 PolarHBondContact O-N 3.48Å; G347-L351 VanDerWaalsContact O-CB 3.27Å; G347-L351 WeakPolarHBondContact O-CB 3.46Å; G347-L351 PolarHBondContact O-N 3.24Å |
| 348 | A | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.3 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T344 V345 L350 L351 I352 V431 I438 M442 | T344-A348 WeakPolarHBondContact O-CB 3.29Å; T344-A348 PolarHBondContact O-N 3.44Å; V345-A348 PolarHBondContact O-N 3.12Å; A348-L350 PolarHBondContact O-N 2.84Å; A348-L351 PolarHBondContact O-N 2.9Å; A348-I352 WeakPolarHBondContact O-CB 3.36Å; A348-I352 WeakPolarHBondContact O-CD1 3.47Å; A348-I352 VanDerWaalsContact O-CG1 3.22Å; A348-I352 WeakPolarHBondContact O-CG1 3.41Å; A348-I352 PolarHBondContact O-N 3.26Å; A348-V431 HydrophobicContact CB-CG1 3.84Å; A348-V431 HydrophobicContact CB-CG2 4.03Å; A348-I438 HydrophobicContact CB-CG2 4.13Å; A348-M442 HydrophobicContact CB-CG 3.93Å |
| 349 | V | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 177.2 | 172 | 0 | 0 | 0 | 0 | 111.4 | V345 L346 T353 V375 L393 I396 V400 I428 | V345-V349 HydrophobicContact CG1-CG2 4.48Å; V345-V349 WeakPolarHBondContact O-CG2 3.47Å; V345-V349 PolarHBondContact O-N 3.33Å; L346-V349 PolarHBondContact O-N 2.91Å; V349-T353 WeakPolarHBondContact O-CB 3.12Å; V349-T353 PolarHBondContact O-N 2.72Å; V349-T353 PolarHBondContact O-OG1 2.68Å; V349-V375 HydrophobicContact CB-CG1 4.48Å; V349-V375 HydrophobicContact CG1-CG1 4.36Å; V349-V375 HydrophobicContact CG1-CG2 3.9Å; V349-L393 HydrophobicContact CG2-CD2 3.66Å; V349-I396 HydrophobicContact CG1-CG2 3.83Å; V349-V400 HydrophobicContact CG1-CG2 4.42Å; V349-I428 HydrophobicContact CG1-CD1 4.25Å; V349-I428 HydrophobicContact CG1-CG1 4.34Å; V349-I428 HydrophobicContact CG1-CG2 4.5Å; V349-I428 HydrophobicContact CG2-CG2 4.2Å |
| 350 | L | 90.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 177.7 | -70.6 | 172.1 | 0 | 0 | 0 | 111.6 | L346 A348 I352 T353 F354 L371 K372 P471 V472 | L346-L350 HydrophobicContact CD1-CD1 3.84Å; L346-L350 HydrophobicContact CD1-CG 4.29Å; L346-L350 HydrophobicContact CG-CD1 4.01Å; L346-L350 WeakPolarHBondContact O-CB 3.27Å; L346-L350 VanDerWaalsContact O-CG 3.29Å; L346-L350 WeakPolarHBondContact O-CG 3.26Å; L346-L350 PolarHBondContact O-N 2.87Å; A348-L350 PolarHBondContact O-N 2.84Å; L350-I352 PolarHBondContact O-N 3.08Å; L350-T353 PolarHBondContact O-N 2.67Å; L350-F354 HydrophobicContact CB-CD2 4.3Å; L350-F354 HydrophobicContact CB-CE2 4.08Å; L350-F354 HydrophobicContact CD2-CE2 4.19Å; L350-F354 WeakPolarHBondContact O-CD2 3.44Å; L350-F354 PolarHBondContact O-N 3.31Å; L350-L371 HydrophobicContact CD2-CB 3.82Å; L350-L371 HydrophobicContact CD2-CD1 4.44Å; L350-K372 HydrophobicContact CD1-CB 4.18Å; L350-K372 HydrophobicContact CD1-CG 4.45Å; L350-P471 HydrophobicContact CD1-CB 4.05Å; L350-V472 HydrophobicContact CD1-CG1 3.87Å |
| 351 | L | 89.4 | Confident | 85.2 | Confident | 46 Ų | 46 | 27 Ų | 27 | 24% | 0.241 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 176.4 | 175.7 | 59.4 | 0 | 0 | 0 | 112.3 | G347 A348 T353 F354 S355 I438 M442 | G347-L351 VanDerWaalsContact O-CB 3.27Å; G347-L351 WeakPolarHBondContact O-CB 3.46Å; G347-L351 PolarHBondContact O-N 3.24Å; A348-L351 PolarHBondContact O-N 2.9Å; L351-T353 VanDerWaalsContact C-N 3.32Å; L351-T353 PolarHBondContact O-N 3.46Å; L351-F354 PolarHBondContact O-N 3.26Å; L351-S355 WeakPolarHBondContact O-CB 3.4Å; L351-S355 PolarHBondContact O-N 3.35Å; L351-S355 PolarHBondContact O-OG 3.27Å; L351-I438 HydrophobicContact CD2-CG2 4.17Å; L351-M442 HydrophobicContact CB-SD 4.49Å; L351-M442 HydrophobicContact CD2-CE 3.35Å; L351-M442 HydrophobicContact CD2-SD 3.96Å |
| 352 | I | 90.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.7 | -51.1 | 174.6 | -70 | 161.8 | 0 | 0 | 0 | 109.4 | A348 L350 F354 S355 M356 L424 Q427 I428 V431 I438 | A348-I352 WeakPolarHBondContact O-CB 3.36Å; A348-I352 WeakPolarHBondContact O-CD1 3.47Å; A348-I352 VanDerWaalsContact O-CG1 3.22Å; A348-I352 WeakPolarHBondContact O-CG1 3.41Å; A348-I352 PolarHBondContact O-N 3.26Å; L350-I352 PolarHBondContact O-N 3.08Å; I352-F354 PolarHBondContact O-N 2.97Å; I352-S355 PolarHBondContact O-N 3.09Å; I352-S355 PolarHBondContact O-OG 2.78Å; I352-M356 WeakPolarHBondContact O-CG 3.47Å; I352-M356 PolarHBondContact O-N 3.37Å; I352-M356 VanDerWaalsContact O-N 3.07Å; I352-L424 HydrophobicContact CG2-CD1 3.64Å; I352-Q427 HydrophobicContact CD1-CB 4.31Å; I352-Q427 HydrophobicContact CG2-CB 3.78Å; I352-I428 HydrophobicContact CG2-CG1 4.07Å; I352-V431 HydrophobicContact CD1-CG2 3.49Å; I352-V431 VanDerWaalsContact CD1-CG2 3.49Å; I352-I438 HydrophobicContact CD1-CD1 3.93Å; I352-I438 HydrophobicContact CD1-CG2 4.45Å; I352-I438 HydrophobicContact CG1-CD1 3.54Å; I352-I438 HydrophobicContact CG1-CG2 4.21Å |
| 353 | T | 87.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | -178.9 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | V349 L350 L351 S355 M356 A357 L371 V400 V404 | V349-T353 WeakPolarHBondContact O-CB 3.12Å; V349-T353 PolarHBondContact O-N 2.72Å; V349-T353 PolarHBondContact O-OG1 2.68Å; L350-T353 PolarHBondContact O-N 2.67Å; L351-T353 VanDerWaalsContact C-N 3.32Å; L351-T353 PolarHBondContact O-N 3.46Å; T353-S355 VanDerWaalsContact C-N 3.32Å; T353-S355 PolarHBondContact O-N 2.9Å; T353-M356 PolarHBondContact O-N 3.16Å; T353-A357 VanDerWaalsContact O-CB 3.28Å; T353-A357 WeakPolarHBondContact O-CB 3.2Å; T353-A357 PolarHBondContact O-N 3.35Å; T353-L371 HydrophobicContact CG2-CD1 3.7Å; T353-V400 HydrophobicContact CG2-CG1 3.58Å; T353-V400 WeakPolarHBondContact OG1-CG1 3.44Å; T353-V404 HydrophobicContact CG2-CG2 3.77Å |
| 354 | F | 86.4 | Confident | 81.6 | Confident | 36 Ų | 36 | 32 Ų | 32 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.5 | -26.3 | 179 | -68.2 | -56.5 | 0 | 0 | 0 | 113.6 | L350 L351 I352 F367 A368 P471 | L350-F354 HydrophobicContact CB-CD2 4.3Å; L350-F354 HydrophobicContact CB-CE2 4.08Å; L350-F354 HydrophobicContact CD2-CE2 4.19Å; L350-F354 WeakPolarHBondContact O-CD2 3.44Å; L350-F354 PolarHBondContact O-N 3.31Å; L351-F354 PolarHBondContact O-N 3.26Å; I352-F354 PolarHBondContact O-N 2.97Å; F354-F367 HydrophobicContact CE1-CD1 4.02Å; F354-F367 AromaticContact CE1-CE1 4Å; F354-F367 HydrophobicContact CE1-CE1 4Å; F354-A368 HydrophobicContact CE1-CB 4.42Å; F354-A368 HydrophobicContact CZ-CB 3.68Å; F354-P471 HydrophobicContact CD2-CG 4.03Å; F354-P471 HydrophobicContact CE2-CB 4.11Å; F354-P471 HydrophobicContact CE2-CG 3.58Å |
| 355 | S | 85.4 | Confident | 80.7 | Confident | 81 Ų | 81 | 34.9 Ų | 34.9 | 57% | 0.566 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -74.9 | -25.3 | 173.7 | 76.2 | 0 | 0 | 0 | 0 | 113.7 | L351 I352 T353 | L351-S355 WeakPolarHBondContact O-CB 3.4Å; L351-S355 PolarHBondContact O-N 3.35Å; L351-S355 PolarHBondContact O-OG 3.27Å; I352-S355 PolarHBondContact O-N 3.09Å; I352-S355 PolarHBondContact O-OG 2.78Å; T353-S355 VanDerWaalsContact C-N 3.32Å; T353-S355 PolarHBondContact O-N 2.9Å |
| 356 | M | 81.5 | Confident | 80.2 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 26% | 0.256 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -95 | -25.5 | 179.4 | -68.5 | -101.2 | 81.8 | 0 | 0 | 113.2 | I352 T353 V423 L424 | I352-M356 WeakPolarHBondContact O-CG 3.47Å; I352-M356 PolarHBondContact O-N 3.37Å; I352-M356 VanDerWaalsContact O-N 3.07Å; T353-M356 PolarHBondContact O-N 3.16Å; M356-V423 HydrophobicContact SD-CG1 3.88Å; M356-L424 HydrophobicContact CB-CD1 4.28Å; M356-L424 HydrophobicContact CG-CD1 4.15Å; M356-L424 HydrophobicContact SD-CB 4.43Å |
| 357 | A | 75.9 | Confident | 79.7 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -72.5 | 161.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | T353 I361 | T353-A357 VanDerWaalsContact O-CB 3.28Å; T353-A357 WeakPolarHBondContact O-CB 3.2Å; T353-A357 PolarHBondContact O-N 3.35Å; A357-I361 HydrophobicContact CB-CG2 4.38Å |
| 358 | A | 70.3 | Confident | 79.3 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | trans | -68.4 | 142.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | G360 I361 S362 L408 | A358-G360 VanDerWaalsContact C-N 3.27Å; A358-G360 PolarHBondContact O-N 3.33Å; A358-G360 VanDerWaalsContact O-N 3.11Å; A358-I361 WeakPolarHBondContact O-CB 3.45Å; A358-I361 PolarHBondContact O-N 3.01Å; A358-S362 PolarHBondContact O-N 2.9Å; A358-L408 HydrophobicContact CB-CD2 4.21Å | ||
| 359 | P | 66.8 | Low | 79 | Confident | 108 Ų | 108 | 45 Ų | 45 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -52.6 | -39.3 | -175.4 | -30.7 | 36.1 | 0 | 0 | 0 | 114.7 | I361 S362 | P359-I361 PolarHBondContact O-N 3.17Å; P359-S362 PolarHBondContact O-N 2.92Å; P359-S362 VanDerWaalsContact O-N 3.15Å; P359-S362 PolarHBondContact O-OG 3.37Å |
| 360 | G | 64.3 | Low | 78.7 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 58% | 0.577 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.3 | -20.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A358 S363 | A358-G360 VanDerWaalsContact C-N 3.27Å; A358-G360 PolarHBondContact O-N 3.33Å; A358-G360 VanDerWaalsContact O-N 3.11Å; G360-S363 PolarHBondContact O-OG 2.88Å |
| 361 | I | 67.7 | Low | 78.6 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -82 | -35.9 | 174.3 | -69.4 | 178.9 | 0 | 0 | 0 | 110.8 | A357 A358 P359 S363 Q364 F367 C407 L408 | A357-I361 HydrophobicContact CB-CG2 4.38Å; A358-I361 WeakPolarHBondContact O-CB 3.45Å; A358-I361 PolarHBondContact O-N 3.01Å; P359-I361 PolarHBondContact O-N 3.17Å; I361-S363 PolarHBondContact O-N 3.07Å; I361-S363 VanDerWaalsContact O-N 3.14Å; I361-Q364 PolarHBondContact O-N 3.39Å; I361-F367 HydrophobicContact CG2-CD1 3.49Å; I361-F367 VanDerWaalsContact CG2-CD1 3.49Å; I361-F367 HydrophobicContact CG2-CD2 4.38Å; I361-F367 HydrophobicContact CG2-CE1 3.29Å; I361-F367 HydrophobicContact CG2-CE2 4.2Å; I361-F367 HydrophobicContact CG2-CG 4.04Å; I361-F367 HydrophobicContact CG2-CZ 3.67Å; I361-C407 HydrophobicContact CD1-CB 4.21Å; I361-C407 HydrophobicContact CG2-CB 4.49Å; I361-L408 HydrophobicContact CD1-CB 4.29Å; I361-L408 HydrophobicContact CD1-CD2 3.44Å; I361-L408 VanDerWaalsContact CD1-CD2 3.44Å; I361-L408 HydrophobicContact CD1-CG 3.52Å |
| 362 | S | 63 | Low | 78.7 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 42% | 0.42 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -21.9 | 176.8 | 75 | 0 | 0 | 0 | 0 | 113.5 | A358 P359 | A358-S362 PolarHBondContact O-N 2.9Å; P359-S362 PolarHBondContact O-N 2.92Å; P359-S362 VanDerWaalsContact O-N 3.15Å; P359-S362 PolarHBondContact O-OG 3.37Å |
| 363 | S | 66.4 | Low | 78.7 | Confident | 94 Ų | 94 | 52.6 Ų | 52.6 | 66% | 0.657 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8 | 175.5 | 40.3 | 0 | 0 | 0 | 0 | 115.4 | G360 I361 A365 | G360-S363 PolarHBondContact O-OG 2.88Å; I361-S363 PolarHBondContact O-N 3.07Å; I361-S363 VanDerWaalsContact O-N 3.14Å; S363-A365 PolarHBondContact O-N 3.14Å |
| 364 | Q | 73.9 | Confident | 78.8 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | trans | -87.5 | 111.4 | 179.3 | -172.3 | 173.8 | 0.1 | 0 | 0 | 111.6 | I361 D366 F367 A368 | I361-Q364 PolarHBondContact O-N 3.39Å; Q364-D366 HydrophobicContact CG-CB 4.38Å; Q364-D366 PolarHBondContact NE2-OD2 2.96Å; Q364-D366 PolarHBondContact O-N 3.33Å; Q364-F367 HydrophobicContact CB-CB 4.18Å; Q364-F367 HydrophobicContact CG-CB 4.32Å; Q364-F367 PolarHBondContact O-N 3.36Å; Q364-A368 PolarHBondContact O-N 3.06Å | ||
| 365 | A | 74.3 | Confident | 79 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 58% | 0.579 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.8 | -40.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S363 F367 A368 E369 | S363-A365 PolarHBondContact O-N 3.14Å; A365-F367 VanDerWaalsContact C-N 3.3Å; A365-F367 PolarHBondContact O-N 3.49Å; A365-A368 PolarHBondContact O-N 3.44Å; A365-E369 PolarHBondContact O-N 3.12Å |
| 366 | D | 81.2 | Confident | 79.3 | Confident | 113 Ų | 113 | 53 Ų | 53 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | -178.9 | -36.8 | -59.6 | 0 | 0 | 0 | 111.8 | Q364 K370 | Q364-D366 HydrophobicContact CG-CB 4.38Å; Q364-D366 PolarHBondContact NE2-OD2 2.96Å; Q364-D366 PolarHBondContact O-N 3.33Å; D366-K370 WeakPolarHBondContact O-CB 3.42Å; D366-K370 PolarHBondContact O-N 3.35Å |
| 367 | F | 81.9 | Confident | 79.8 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | 177.8 | 175.9 | -101.2 | 0 | 0 | 0 | 111 | F354 I361 Q364 A365 K370 L371 E403 V404 C407 | F354-F367 HydrophobicContact CE1-CD1 4.02Å; F354-F367 AromaticContact CE1-CE1 4Å; F354-F367 HydrophobicContact CE1-CE1 4Å; I361-F367 HydrophobicContact CG2-CD1 3.49Å; I361-F367 VanDerWaalsContact CG2-CD1 3.49Å; I361-F367 HydrophobicContact CG2-CD2 4.38Å; I361-F367 HydrophobicContact CG2-CE1 3.29Å; I361-F367 HydrophobicContact CG2-CE2 4.2Å; I361-F367 HydrophobicContact CG2-CG 4.04Å; I361-F367 HydrophobicContact CG2-CZ 3.67Å; Q364-F367 HydrophobicContact CB-CB 4.18Å; Q364-F367 HydrophobicContact CG-CB 4.32Å; Q364-F367 PolarHBondContact O-N 3.36Å; A365-F367 VanDerWaalsContact C-N 3.3Å; A365-F367 PolarHBondContact O-N 3.49Å; F367-K370 PolarHBondContact O-N 2.99Å; F367-L371 HydrophobicContact CD1-CD1 3.99Å; F367-L371 HydrophobicContact CE1-CD1 3.36Å; F367-L371 HydrophobicContact CE1-CG 4.23Å; F367-L371 HydrophobicContact CE2-CD1 4.15Å; F367-L371 HydrophobicContact CE2-CG 4.26Å; F367-L371 HydrophobicContact CZ-CD1 3.47Å; F367-L371 VanDerWaalsContact CZ-CD1 3.47Å; F367-L371 HydrophobicContact CZ-CG 4.07Å; F367-L371 WeakPolarHBondContact O-CB 3.43Å; F367-L371 WeakPolarHBondContact O-CG 3.35Å; F367-L371 PolarHBondContact O-N 2.99Å; F367-E403 HydrophobicContact CD2-CG 4.29Å; F367-E403 HydrophobicContact CE2-CG 3.94Å; F367-V404 HydrophobicContact CZ-CG2 3.88Å; F367-C407 HydrophobicContact CD2-CB 3.63Å; F367-C407 HydrophobicContact CE2-CB 3.57Å; F367-C407 HydrophobicContact CZ-CB 4.47Å |
| 368 | A | 82.9 | Confident | 80.5 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F354 Q364 A365 K372 | F354-A368 HydrophobicContact CE1-CB 4.42Å; F354-A368 HydrophobicContact CZ-CB 3.68Å; Q364-A368 PolarHBondContact O-N 3.06Å; A365-A368 PolarHBondContact O-N 3.44Å; A368-K372 VanDerWaalsContact O-CB 3.29Å; A368-K372 WeakPolarHBondContact O-CB 3.31Å; A368-K372 PolarHBondContact O-N 3.03Å |
| 369 | E | 86.2 | Confident | 81.5 | Confident | 78 Ų | 78 | 55.2 Ų | 55.2 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 176.3 | -74.2 | -70.4 | 165.9 | 0 | 0 | 111.7 | A365 K372 M373 R474 | A365-E369 PolarHBondContact O-N 3.12Å; E369-K372 PolarHBondContact O-N 3.36Å; E369-K372 WeakPolarHBondContact OE1-CE 3.39Å; E369-K372 IonicContact OE1-NZ 3.47Å; E369-K372 PolarHBondContact OE1-NZ 2.63Å; E369-K372 WeakPolarHBondContact OE2-CE 3.1Å; E369-K372 IonicContact OE2-NZ 2.7Å; E369-K372 PolarHBondContact OE2-NZ 2.73Å; E369-M373 WeakPolarHBondContact O-CB 3.32Å; E369-M373 PolarHBondContact O-N 2.7Å; E369-R474 IonicContact OE1-CZ 2.75Å; E369-R474 IonicContact OE1-NH1 3.2Å; E369-R474 PolarHBondContact OE1-NH1 2.92Å; E369-R474 IonicContact OE1-NH2 2.72Å; E369-R474 PolarHBondContact OE1-NH2 3.35Å; E369-R474 IonicContact OE2-NH1 3.79Å |
| 370 | K | 86.8 | Confident | 82.4 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 175.6 | -173.5 | 179 | 176.3 | -162.4 | 0 | 112.4 | D366 F367 M373 I374 E403 | D366-K370 WeakPolarHBondContact O-CB 3.42Å; D366-K370 PolarHBondContact O-N 3.35Å; F367-K370 PolarHBondContact O-N 2.99Å; K370-M373 PolarHBondContact O-N 2.87Å; K370-I374 HydrophobicContact CG-CD1 4.22Å; K370-I374 WeakPolarHBondContact O-CG1 3.41Å; K370-I374 PolarHBondContact O-N 2.7Å; K370-E403 WeakPolarHBondContact CD-OE1 3.18Å; K370-E403 VanDerWaalsContact CE-CD 3.41Å; K370-E403 WeakPolarHBondContact CE-OE1 3.44Å; K370-E403 WeakPolarHBondContact CE-OE2 3.44Å; K370-E403 IonicContact NZ-OE1 2.7Å; K370-E403 PolarHBondContact NZ-OE1 2.81Å; K370-E403 IonicContact NZ-OE2 2.76Å; K370-E403 PolarHBondContact NZ-OE2 3.17Å |
| 371 | L | 88 | Confident | 83.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 172.2 | -78.5 | -178.9 | 0 | 0 | 0 | 111.4 | L350 T353 F367 M373 I374 V375 V400 E403 | L350-L371 HydrophobicContact CD2-CB 3.82Å; L350-L371 HydrophobicContact CD2-CD1 4.44Å; T353-L371 HydrophobicContact CG2-CD1 3.7Å; F367-L371 HydrophobicContact CD1-CD1 3.99Å; F367-L371 HydrophobicContact CE1-CD1 3.36Å; F367-L371 HydrophobicContact CE1-CG 4.23Å; F367-L371 HydrophobicContact CE2-CD1 4.15Å; F367-L371 HydrophobicContact CE2-CG 4.26Å; F367-L371 HydrophobicContact CZ-CD1 3.47Å; F367-L371 VanDerWaalsContact CZ-CD1 3.47Å; F367-L371 HydrophobicContact CZ-CG 4.07Å; F367-L371 WeakPolarHBondContact O-CB 3.43Å; F367-L371 WeakPolarHBondContact O-CG 3.35Å; F367-L371 PolarHBondContact O-N 2.99Å; L371-M373 VanDerWaalsContact C-N 3.28Å; L371-M373 PolarHBondContact O-N 3.5Å; L371-I374 PolarHBondContact O-N 2.85Å; L371-I374 VanDerWaalsContact O-N 3.16Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 2.93Å; L371-V400 HydrophobicContact CD2-CG2 4.21Å; L371-E403 HydrophobicContact CD2-CB 3.95Å; L371-E403 HydrophobicContact CD2-CG 3.84Å; L371-E403 HydrophobicContact CG-CG 4.42Å |
| 372 | K | 90.8 | Very high | 84.4 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.6 | -42.8 | 178 | 178.6 | 165.5 | 60.7 | 177.6 | 0 | 111.4 | L346 L350 A368 E369 K376 P471 V472 R474 E475 | L346-K372 HydrophobicContact CD1-CG 4.27Å; L346-K372 HydrophobicContact CD2-CD 4.47Å; L346-K372 HydrophobicContact CD2-CG 4.18Å; L350-K372 HydrophobicContact CD1-CB 4.18Å; L350-K372 HydrophobicContact CD1-CG 4.45Å; A368-K372 VanDerWaalsContact O-CB 3.29Å; A368-K372 WeakPolarHBondContact O-CB 3.31Å; A368-K372 PolarHBondContact O-N 3.03Å; E369-K372 PolarHBondContact O-N 3.36Å; E369-K372 WeakPolarHBondContact OE1-CE 3.39Å; E369-K372 IonicContact OE1-NZ 3.47Å; E369-K372 PolarHBondContact OE1-NZ 2.63Å; E369-K372 WeakPolarHBondContact OE2-CE 3.1Å; E369-K372 IonicContact OE2-NZ 2.7Å; E369-K372 PolarHBondContact OE2-NZ 2.73Å; K372-K376 WeakPolarHBondContact O-CB 3.33Å; K372-K376 PolarHBondContact O-N 2.88Å; K372-P471 WeakPolarHBondContact CD-O 3.31Å; K372-P471 WeakPolarHBondContact CE-O 3.13Å; K372-P471 PolarHBondContact NZ-O 2.96Å; K372-V472 HydrophobicContact CD-CG1 4.19Å; K372-R474 VanDerWaalsContact NZ-NH1 3.12Å; K372-E475 WeakPolarHBondContact CE-OE1 3.27Å; K372-E475 VanDerWaalsContact NZ-CD 3.33Å; K372-E475 IonicContact NZ-OE1 2.73Å; K372-E475 PolarHBondContact NZ-OE1 3.45Å; K372-E475 IonicContact NZ-OE2 2.66Å; K372-E475 PolarHBondContact NZ-OE2 3.42Å |
| 373 | M | 90.7 | Very high | 85.5 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.4 | -175.2 | 178.7 | 68.5 | 0 | 0 | 112.2 | E369 K370 L371 V375 K376 I377 | E369-M373 WeakPolarHBondContact O-CB 3.32Å; E369-M373 PolarHBondContact O-N 2.7Å; K370-M373 PolarHBondContact O-N 2.87Å; L371-M373 VanDerWaalsContact C-N 3.28Å; L371-M373 PolarHBondContact O-N 3.5Å; M373-V375 PolarHBondContact O-N 3.49Å; M373-K376 PolarHBondContact O-N 3.3Å; M373-I377 HydrophobicContact CG-CD1 3.72Å; M373-I377 HydrophobicContact CG-CG1 4.43Å; M373-I377 WeakPolarHBondContact O-CB 3.23Å; M373-I377 VanDerWaalsContact O-CG1 3.25Å; M373-I377 WeakPolarHBondContact O-CG1 3.44Å; M373-I377 PolarHBondContact O-N 3.5Å |
| 374 | I | 90 | Very high | 86.4 | Confident | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59 | -47 | 178.7 | -69 | 163.7 | 0 | 0 | 0 | 111.1 | K370 L371 L378 K399 E403 | K370-I374 HydrophobicContact CG-CD1 4.22Å; K370-I374 WeakPolarHBondContact O-CG1 3.41Å; K370-I374 PolarHBondContact O-N 2.7Å; L371-I374 PolarHBondContact O-N 2.85Å; L371-I374 VanDerWaalsContact O-N 3.16Å; I374-L378 HydrophobicContact CG2-CD1 4.21Å; I374-L378 WeakPolarHBondContact O-CD1 3.44Å; I374-L378 WeakPolarHBondContact O-CG 3.13Å; I374-L378 PolarHBondContact O-N 3.06Å; I374-K399 HydrophobicContact CG2-CB 4.1Å; I374-K399 HydrophobicContact CG2-CD 4.22Å; I374-E403 HydrophobicContact CD1-CG 4.44Å |
| 375 | V | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.5 | -46.4 | -179.9 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L346 V349 L371 M373 I377 L378 L379 I396 V400 | L346-V375 HydrophobicContact CD1-CB 3.63Å; L346-V375 HydrophobicContact CD1-CG1 3.48Å; L346-V375 VanDerWaalsContact CD1-CG1 3.48Å; V349-V375 HydrophobicContact CB-CG1 4.48Å; V349-V375 HydrophobicContact CG1-CG1 4.36Å; V349-V375 HydrophobicContact CG1-CG2 3.9Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 2.93Å; M373-V375 PolarHBondContact O-N 3.49Å; V375-I377 PolarHBondContact O-N 2.85Å; V375-L378 PolarHBondContact O-N 3.46Å; V375-L378 VanDerWaalsContact O-N 3.17Å; V375-L379 HydrophobicContact CG1-CD1 3.75Å; V375-L379 HydrophobicContact CG1-CG 4.27Å; V375-L379 WeakPolarHBondContact O-CG 3.23Å; V375-L379 PolarHBondContact O-N 3.18Å; V375-I396 HydrophobicContact CG1-CD1 4.31Å; V375-I396 HydrophobicContact CG2-CG2 3.94Å; V375-V400 HydrophobicContact CG2-CG2 4.44Å |
| 376 | K | 91.4 | Very high | 87.2 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | -179.3 | -173.3 | 171.4 | -176.8 | 174 | 0 | 112.4 | K372 M373 L378 L379 T380 | K372-K376 WeakPolarHBondContact O-CB 3.33Å; K372-K376 PolarHBondContact O-N 2.88Å; M373-K376 PolarHBondContact O-N 3.3Å; K376-L378 VanDerWaalsContact C-N 3.32Å; K376-L378 PolarHBondContact O-N 3.17Å; K376-L379 CarbonylContact O-C 3.59Å; K376-L379 PolarHBondContact O-N 2.83Å; K376-T380 PolarHBondContact O-N 2.94Å; K376-T380 PolarHBondContact O-OG1 3.36Å |
| 377 | I | 90.9 | Very high | 87.4 | Confident | 106 Ų | 106 | 57.6 Ų | 57.6 | 54% | 0.544 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 175.6 | -71.6 | 168.1 | 0 | 0 | 0 | 110.9 | M373 V375 L379 T380 | M373-I377 HydrophobicContact CG-CD1 3.72Å; M373-I377 HydrophobicContact CG-CG1 4.43Å; M373-I377 WeakPolarHBondContact O-CB 3.23Å; M373-I377 VanDerWaalsContact O-CG1 3.25Å; M373-I377 WeakPolarHBondContact O-CG1 3.44Å; M373-I377 PolarHBondContact O-N 3.5Å; V375-I377 PolarHBondContact O-N 2.85Å; I377-L379 VanDerWaalsContact C-N 3.32Å; I377-L379 PolarHBondContact O-N 3.38Å; I377-T380 WeakPolarHBondContact O-CB 3.05Å; I377-T380 PolarHBondContact O-N 3.23Å; I377-T380 PolarHBondContact O-OG1 3.05Å |
| 378 | L | 90.6 | Very high | 87.8 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.4 | -22.5 | -179.3 | -68.3 | 166.1 | 0 | 0 | 0 | 113.4 | I374 V375 K376 F387 V392 I396 K399 | I374-L378 HydrophobicContact CG2-CD1 4.21Å; I374-L378 WeakPolarHBondContact O-CD1 3.44Å; I374-L378 WeakPolarHBondContact O-CG 3.13Å; I374-L378 PolarHBondContact O-N 3.06Å; V375-L378 PolarHBondContact O-N 3.46Å; V375-L378 VanDerWaalsContact O-N 3.17Å; K376-L378 VanDerWaalsContact C-N 3.32Å; K376-L378 PolarHBondContact O-N 3.17Å; L378-F387 WeakPolarHBondContact O-CE2 3.33Å; L378-V392 HydrophobicContact CB-CG1 4.05Å; L378-V392 WeakPolarHBondContact O-CG1 3.22Å; L378-I396 HydrophobicContact CB-CD1 4.05Å; L378-I396 HydrophobicContact CB-CG1 3.92Å; L378-I396 HydrophobicContact CD1-CG1 3.64Å; L378-I396 HydrophobicContact CG-CG1 4.42Å; L378-K399 HydrophobicContact CD1-CD 3.87Å |
| 379 | L | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 8.1 | 174.5 | -60.7 | 177.9 | 0 | 0 | 0 | 113.8 | Q342 V345 L346 V375 K376 I377 D381 M382 F387 L389 I396 | Q342-L379 HydrophobicContact CG-CB 3.97Å; Q342-L379 HydrophobicContact CG-CD1 4.44Å; Q342-L379 PolarHBondContact NE2-O 3.34Å; V345-L379 HydrophobicContact CB-CD1 4.11Å; V345-L379 HydrophobicContact CG1-CD1 3.74Å; V345-L379 HydrophobicContact CG1-CD2 4.17Å; L346-L379 HydrophobicContact CB-CD1 4.47Å; V375-L379 HydrophobicContact CG1-CD1 3.75Å; V375-L379 HydrophobicContact CG1-CG 4.27Å; V375-L379 WeakPolarHBondContact O-CG 3.23Å; V375-L379 PolarHBondContact O-N 3.18Å; K376-L379 CarbonylContact O-C 3.59Å; K376-L379 PolarHBondContact O-N 2.83Å; I377-L379 VanDerWaalsContact C-N 3.32Å; I377-L379 PolarHBondContact O-N 3.38Å; L379-D381 VanDerWaalsContact C-N 3.33Å; L379-D381 PolarHBondContact O-N 2.97Å; L379-M382 HydrophobicContact CD2-SD 4.12Å; L379-M382 VanDerWaalsContact O-CB 3.32Å; L379-M382 WeakPolarHBondContact O-CB 3.49Å; L379-M382 PolarHBondContact O-N 3.24Å; L379-F387 HydrophobicContact CD2-CZ 4.2Å; L379-L389 HydrophobicContact CD2-CD1 4.06Å; L379-I396 HydrophobicContact CD2-CD1 3.94Å; L379-I396 HydrophobicContact CG-CD1 4.19Å |
| 380 | T | 87.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 52% | 0.521 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -48 | -176.7 | -55 | 0 | 0 | 0 | 0 | 111.8 | K376 I377 M382 | K376-T380 PolarHBondContact O-N 2.94Å; K376-T380 PolarHBondContact O-OG1 3.36Å; I377-T380 WeakPolarHBondContact O-CB 3.05Å; I377-T380 PolarHBondContact O-N 3.23Å; I377-T380 PolarHBondContact O-OG1 3.05Å; T380-M382 PolarHBondContact O-N 2.98Å |
| 381 | D | 86.4 | Confident | 88.5 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 20.4 | -175 | -60.5 | -60.5 | 0 | 0 | 0 | 113.6 | L379 H383 L384 F387 | L379-D381 VanDerWaalsContact C-N 3.33Å; L379-D381 PolarHBondContact O-N 2.97Å; D381-H383 PolarHBondContact O-N 3.21Å; D381-L384 HydrophobicContact CB-CD1 3.87Å; D381-L384 HydrophobicContact CB-CG 4.13Å; D381-L384 PolarHBondContact O-N 3.25Å; D381-F387 VanDerWaalsContact C-CD2 3.46Å; D381-F387 HydrophobicContact CB-CD2 4.06Å; D381-F387 HydrophobicContact CB-CE2 4.44Å; D381-F387 WeakPolarHBondContact O-CB 3.39Å; D381-F387 VanDerWaalsContact O-CD2 3.23Å; D381-F387 WeakPolarHBondContact O-CD2 3.16Å; D381-F387 WeakPolarHBondContact O-CG 3.38Å |
| 382 | M | 87.4 | Confident | 88.7 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.4 | -168.6 | -170 | 175.1 | 82.8 | 0 | 0 | 114.8 | E341 Q342 V345 L379 T380 F387 L389 | E341-M382 HydrophobicContact CB-CE 3.89Å; Q342-M382 HydrophobicContact CB-CE 4.17Å; V345-M382 HydrophobicContact CB-SD 4.43Å; V345-M382 HydrophobicContact CG2-CE 4.5Å; V345-M382 HydrophobicContact CG2-SD 4.07Å; L379-M382 HydrophobicContact CD2-SD 4.12Å; L379-M382 VanDerWaalsContact O-CB 3.32Å; L379-M382 WeakPolarHBondContact O-CB 3.49Å; L379-M382 PolarHBondContact O-N 3.24Å; T380-M382 PolarHBondContact O-N 2.98Å; M382-F387 HydrophobicContact CB-CD1 4.3Å; M382-F387 HydrophobicContact CB-CE1 3.97Å; M382-F387 HydrophobicContact CB-CZ 4.1Å; M382-F387 HydrophobicContact CG-CD1 4.06Å; M382-F387 HydrophobicContact CG-CE1 3.69Å; M382-F387 HydrophobicContact CG-CZ 4.26Å; M382-L389 HydrophobicContact CG-CD1 4.32Å; M382-L389 HydrophobicContact SD-CD1 4.07Å |
| 383 | H | 85.5 | Confident | 88.8 | Confident | 68 Ų | 68 | 67 Ų | 67 | 32% | 0.315 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 3.4 | -173.3 | -58.9 | -57.5 | 0 | 0 | 0 | 114.1 | L338 E341 D381 | L338-H383 WeakPolarHBondContact CA-NE2 3.49Å; L338-H383 HydrophobicContact CD1-CB 4.35Å; L338-H383 HydrophobicContact CD2-CB 4.28Å; L338-H383 PolarHBondContact O-NE2 3.34Å; E341-H383 IonicContact OE2-CE1 2.94Å; D381-H383 PolarHBondContact O-N 3.21Å |
| 384 | L | 86.3 | Confident | 88.8 | Confident | 91 Ų | 91 | 64 Ų | 64 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -78 | 141.5 | 173.2 | -61 | -171.7 | 0 | 0 | 0 | 110.7 | D381 S386 F387 | D381-L384 HydrophobicContact CB-CD1 3.87Å; D381-L384 HydrophobicContact CB-CG 4.13Å; D381-L384 PolarHBondContact O-N 3.25Å; L384-S386 PolarHBondContact O-N 3.02Å; L384-F387 VanDerWaalsContact O-CB 3.26Å; L384-F387 WeakPolarHBondContact O-CB 3.28Å; L384-F387 PolarHBondContact O-N 3.46Å |
| 385 | P | 80.3 | Confident | 88.9 | Confident | 138 Ų | 138 | 65.1 Ų | 65.1 | 90% | 0.896 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.3 | 179.4 | -27.6 | 35.7 | 0 | 0 | 0 | 115.7 | ||
| 386 | S | 83.3 | Confident | 88.9 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 66% | 0.657 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1 | 175.7 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | L384 | L384-S386 PolarHBondContact O-N 3.02Š|
| 387 | F | 86.7 | Confident | 88.9 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | trans | -89.4 | 109.6 | -172.8 | -169 | -87.5 | 0 | 0 | 0 | 112.4 | L378 L379 D381 M382 L384 L389 V392 | L378-F387 WeakPolarHBondContact O-CE2 3.33Å; L379-F387 HydrophobicContact CD2-CZ 4.2Å; D381-F387 VanDerWaalsContact C-CD2 3.46Å; D381-F387 HydrophobicContact CB-CD2 4.06Å; D381-F387 HydrophobicContact CB-CE2 4.44Å; D381-F387 WeakPolarHBondContact O-CB 3.39Å; D381-F387 VanDerWaalsContact O-CD2 3.23Å; D381-F387 WeakPolarHBondContact O-CD2 3.16Å; D381-F387 WeakPolarHBondContact O-CG 3.38Å; M382-F387 HydrophobicContact CB-CD1 4.3Å; M382-F387 HydrophobicContact CB-CE1 3.97Å; M382-F387 HydrophobicContact CB-CZ 4.1Å; M382-F387 HydrophobicContact CG-CD1 4.06Å; M382-F387 HydrophobicContact CG-CE1 3.69Å; M382-F387 HydrophobicContact CG-CZ 4.26Å; L384-F387 VanDerWaalsContact O-CB 3.26Å; L384-F387 WeakPolarHBondContact O-CB 3.28Å; L384-F387 PolarHBondContact O-N 3.46Å; F387-L389 HydrophobicContact CD1-CB 4.16Å; F387-L389 HydrophobicContact CE1-CB 3.99Å; F387-L389 HydrophobicContact CE1-CD1 3.95Å; F387-L389 PolarHBondContact O-N 2.88Å; F387-V392 HydrophobicContact CD2-CG2 4.48Å; F387-V392 HydrophobicContact CE1-CB 4.25Å; F387-V392 HydrophobicContact CE1-CG2 4.17Å; F387-V392 HydrophobicContact CE2-CB 4.48Å; F387-V392 HydrophobicContact CE2-CG1 4.33Å; F387-V392 HydrophobicContact CE2-CG2 3.9Å; F387-V392 HydrophobicContact CZ-CB 3.87Å; F387-V392 HydrophobicContact CZ-CG1 3.75Å; F387-V392 HydrophobicContact CZ-CG2 3.74Å | ||
| 388 | H | 88.4 | Confident | 88.9 | Confident | 125 Ų | 125 | 60.1 Ų | 60.1 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | trans | -90.8 | 86.2 | 176.2 | -62.5 | -43.4 | 0 | 0 | 0 | 111.3 | K390 D391 V392 | H388-K390 PolarHBondContact O-N 3.43Å; H388-K390 VanDerWaalsContact O-N 3.08Å; H388-D391 HydrophobicContact CB-CB 4.28Å; H388-D391 WeakPolarHBondContact CB-OD2 3.33Å; H388-D391 IonicContact CG-OD2 2.87Å; H388-D391 PolarHBondContact O-N 3.35Å; H388-V392 PolarHBondContact O-N 2.7Å; H388-V392 VanDerWaalsContact O-N 3.09Å | ||
| 389 | L | 89.4 | Confident | 88.9 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -49.8 | -37.1 | -176.7 | 176.7 | 62.4 | 0 | 0 | 0 | 114 | V345 L379 M382 F387 L393 A432 | V345-L389 HydrophobicContact CG1-CD1 4.34Å; L379-L389 HydrophobicContact CD2-CD1 4.06Å; M382-L389 HydrophobicContact CG-CD1 4.32Å; M382-L389 HydrophobicContact SD-CD1 4.07Å; F387-L389 HydrophobicContact CD1-CB 4.16Å; F387-L389 HydrophobicContact CE1-CB 3.99Å; F387-L389 HydrophobicContact CE1-CD1 3.95Å; F387-L389 PolarHBondContact O-N 2.88Å; L389-L393 HydrophobicContact CD1-CD1 3.79Å; L389-L393 HydrophobicContact CD1-CG 3.97Å; L389-L393 HydrophobicContact CG-CD1 3.84Å; L389-L393 HydrophobicContact CG-CG 4.43Å; L389-L393 VanDerWaalsContact O-CB 3.27Å; L389-L393 WeakPolarHBondContact O-CB 3.48Å; L389-L393 VanDerWaalsContact O-CG 3.28Å; L389-L393 WeakPolarHBondContact O-CG 3.15Å; L389-L393 PolarHBondContact O-N 3.46Å; L389-A432 HydrophobicContact CG-CB 4.46Å |
| 390 | K | 90.9 | Very high | 88.9 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 178.1 | -171 | -175.7 | 177.5 | -174.7 | 0 | 112.7 | H388 T394 Q429 A432 | H388-K390 PolarHBondContact O-N 3.43Å; H388-K390 VanDerWaalsContact O-N 3.08Å; K390-T394 PolarHBondContact O-N 2.75Å; K390-T394 PolarHBondContact O-OG1 3.04Å; K390-Q429 HydrophobicContact CG-CG 3.8Å; K390-A432 HydrophobicContact CB-CB 3.96Å; K390-A432 HydrophobicContact CG-CB 4.25Å |
| 391 | D | 91.1 | Very high | 88.9 | Confident | 94 Ų | 94 | 58.6 Ų | 58.6 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75 | -41.7 | -177 | -55.9 | -28.3 | 0 | 0 | 0 | 109.6 | H388 L393 T394 T395 | H388-D391 HydrophobicContact CB-CB 4.28Å; H388-D391 WeakPolarHBondContact CB-OD2 3.33Å; H388-D391 IonicContact CG-OD2 2.87Å; H388-D391 PolarHBondContact O-N 3.35Å; D391-L393 PolarHBondContact O-N 3.4Å; D391-T394 WeakPolarHBondContact O-CA 3.25Å; D391-T394 VanDerWaalsContact O-CB 3.24Å; D391-T394 WeakPolarHBondContact O-CB 3.46Å; D391-T394 PolarHBondContact O-N 3.05Å; D391-T395 PolarHBondContact O-N 3.03Å |
| 392 | V | 92 | Very high | 89 | Confident | 31 Ų | 31 | 60 Ų | 60 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | L378 F387 H388 T394 T395 I396 | L378-V392 HydrophobicContact CB-CG1 4.05Å; L378-V392 WeakPolarHBondContact O-CG1 3.22Å; F387-V392 HydrophobicContact CD2-CG2 4.48Å; F387-V392 HydrophobicContact CE1-CB 4.25Å; F387-V392 HydrophobicContact CE1-CG2 4.17Å; F387-V392 HydrophobicContact CE2-CB 4.48Å; F387-V392 HydrophobicContact CE2-CG1 4.33Å; F387-V392 HydrophobicContact CE2-CG2 3.9Å; F387-V392 HydrophobicContact CZ-CB 3.87Å; F387-V392 HydrophobicContact CZ-CG1 3.75Å; F387-V392 HydrophobicContact CZ-CG2 3.74Å; H388-V392 PolarHBondContact O-N 2.7Å; H388-V392 VanDerWaalsContact O-N 3.09Å; V392-T394 VanDerWaalsContact C-N 3.25Å; V392-T394 PolarHBondContact O-N 2.97Å; V392-T395 PolarHBondContact O-N 2.89Å; V392-I396 HydrophobicContact CG1-CD1 3.94Å; V392-I396 HydrophobicContact CG1-CG1 4.44Å; V392-I396 VanDerWaalsContact O-CG1 3.29Å; V392-I396 WeakPolarHBondContact O-CG1 3.36Å; V392-I396 PolarHBondContact O-N 3.48Å |
| 393 | L | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -29.6 | 172.6 | -78.8 | 169 | 0 | 0 | 0 | 112.7 | V345 V349 L389 D391 I396 G397 I428 V431 A432 | V345-L393 HydrophobicContact CG1-CD2 4.03Å; V349-L393 HydrophobicContact CG2-CD2 3.66Å; L389-L393 HydrophobicContact CD1-CD1 3.79Å; L389-L393 HydrophobicContact CD1-CG 3.97Å; L389-L393 HydrophobicContact CG-CD1 3.84Å; L389-L393 HydrophobicContact CG-CG 4.43Å; L389-L393 VanDerWaalsContact O-CB 3.27Å; L389-L393 WeakPolarHBondContact O-CB 3.48Å; L389-L393 VanDerWaalsContact O-CG 3.28Å; L389-L393 WeakPolarHBondContact O-CG 3.15Å; L389-L393 PolarHBondContact O-N 3.46Å; D391-L393 PolarHBondContact O-N 3.4Å; L393-I396 HydrophobicContact CD2-CD1 4.05Å; L393-I396 PolarHBondContact O-N 3.38Å; L393-G397 PolarHBondContact O-N 3.29Å; L393-I428 HydrophobicContact CB-CG2 4.4Å; L393-I428 HydrophobicContact CD2-CG2 4.03Å; L393-I428 VanDerWaalsContact O-CG2 3.29Å; L393-I428 WeakPolarHBondContact O-CG2 3.22Å; L393-V431 HydrophobicContact CD1-CB 4.16Å; L393-V431 HydrophobicContact CD1-CG1 4.47Å; L393-A432 HydrophobicContact CD1-CB 3.88Å; L393-A432 VanDerWaalsContact CD1-N 3.32Å |
| 394 | T | 92.3 | Very high | 89 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -48.2 | 173.1 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | K390 D391 V392 I396 G397 E398 Q429 | K390-T394 PolarHBondContact O-N 2.75Å; K390-T394 PolarHBondContact O-OG1 3.04Å; D391-T394 WeakPolarHBondContact O-CA 3.25Å; D391-T394 VanDerWaalsContact O-CB 3.24Å; D391-T394 WeakPolarHBondContact O-CB 3.46Å; D391-T394 PolarHBondContact O-N 3.05Å; V392-T394 VanDerWaalsContact C-N 3.25Å; V392-T394 PolarHBondContact O-N 2.97Å; T394-I396 VanDerWaalsContact C-N 3.33Å; T394-I396 PolarHBondContact O-N 3.06Å; T394-G397 PolarHBondContact O-N 2.85Å; T394-E398 PolarHBondContact O-N 3.41Å; T394-E398 VanDerWaalsContact O-N 3.08Å; T394-Q429 PolarHBondContact OG1-NE2 2.86Å |
| 395 | T | 91.8 | Very high | 88.9 | Confident | 56 Ų | 56 | 55.1 Ų | 55.1 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -33.7 | 174.1 | -57.3 | 0 | 0 | 0 | 0 | 113 | D391 V392 K399 | D391-T395 PolarHBondContact O-N 3.03Å; V392-T395 PolarHBondContact O-N 2.89Å; T395-K399 HydrophobicContact CG2-CD 4.44Å; T395-K399 WeakPolarHBondContact O-CG 3.28Å; T395-K399 PolarHBondContact O-N 3.22Å; T395-K399 VanDerWaalsContact O-N 3.13Å |
| 396 | I | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 171.1 | -73.2 | 162.9 | 0 | 0 | 0 | 109.6 | V349 V375 L378 L379 V392 L393 T394 E398 K399 V400 I428 | V349-I396 HydrophobicContact CG1-CG2 3.83Å; V375-I396 HydrophobicContact CG1-CD1 4.31Å; V375-I396 HydrophobicContact CG2-CG2 3.94Å; L378-I396 HydrophobicContact CB-CD1 4.05Å; L378-I396 HydrophobicContact CB-CG1 3.92Å; L378-I396 HydrophobicContact CD1-CG1 3.64Å; L378-I396 HydrophobicContact CG-CG1 4.42Å; L379-I396 HydrophobicContact CD2-CD1 3.94Å; L379-I396 HydrophobicContact CG-CD1 4.19Å; V392-I396 HydrophobicContact CG1-CD1 3.94Å; V392-I396 HydrophobicContact CG1-CG1 4.44Å; V392-I396 VanDerWaalsContact O-CG1 3.29Å; V392-I396 WeakPolarHBondContact O-CG1 3.36Å; V392-I396 PolarHBondContact O-N 3.48Å; L393-I396 HydrophobicContact CD2-CD1 4.05Å; L393-I396 PolarHBondContact O-N 3.38Å; T394-I396 VanDerWaalsContact C-N 3.33Å; T394-I396 PolarHBondContact O-N 3.06Å; I396-E398 VanDerWaalsContact C-N 3.3Å; I396-E398 PolarHBondContact O-N 3.48Å; I396-K399 PolarHBondContact O-N 3.19Å; I396-V400 HydrophobicContact CG2-CG2 3.89Å; I396-V400 WeakPolarHBondContact O-CB 3.49Å; I396-V400 WeakPolarHBondContact O-CG2 3.34Å; I396-V400 PolarHBondContact O-N 3.2Å; I396-I428 HydrophobicContact CB-CG2 4.48Å; I396-I428 HydrophobicContact CG2-CG2 4.07Å |
| 397 | G | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.5 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L393 T394 C401 | L393-G397 PolarHBondContact O-N 3.29Å; T394-G397 PolarHBondContact O-N 2.85Å; G397-C401 WeakPolarHBondContact O-CB 3.15Å; G397-C401 PolarHBondContact O-N 3.23Å; G397-C401 PolarHBondContact O-SG 2.93Å |
| 398 | E | 91.4 | Very high | 88.7 | Confident | 94 Ų | 94 | 45.3 Ų | 45.3 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 173.8 | -68.3 | 175.9 | 154.6 | 0 | 0 | 113.2 | T394 I396 V400 C401 L402 | T394-E398 PolarHBondContact O-N 3.41Å; T394-E398 VanDerWaalsContact O-N 3.08Å; I396-E398 VanDerWaalsContact C-N 3.3Å; I396-E398 PolarHBondContact O-N 3.48Å; E398-V400 PolarHBondContact O-N 2.9Å; E398-C401 PolarHBondContact O-N 3.47Å; E398-L402 WeakPolarHBondContact O-CG 3.38Å; E398-L402 PolarHBondContact O-N 3.34Å |
| 399 | K | 90.4 | Very high | 88.4 | Confident | 91 Ų | 91 | 43.5 Ų | 43.5 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.5 | -36.8 | -179.6 | -69.2 | 176.5 | -175.2 | 177.2 | 0 | 112.4 | I374 L378 T395 I396 L402 E403 | I374-K399 HydrophobicContact CG2-CB 4.1Å; I374-K399 HydrophobicContact CG2-CD 4.22Å; L378-K399 HydrophobicContact CD1-CD 3.87Å; T395-K399 HydrophobicContact CG2-CD 4.44Å; T395-K399 WeakPolarHBondContact O-CG 3.28Å; T395-K399 PolarHBondContact O-N 3.22Å; T395-K399 VanDerWaalsContact O-N 3.13Å; I396-K399 PolarHBondContact O-N 3.19Å; K399-L402 PolarHBondContact O-N 2.96Å; K399-E403 WeakPolarHBondContact O-CB 3.45Å; K399-E403 PolarHBondContact O-N 2.95Å |
| 400 | V | 90.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 173.6 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | V349 T353 L371 V375 I396 E398 L402 E403 V404 L424 I428 | V349-V400 HydrophobicContact CG1-CG2 4.42Å; T353-V400 HydrophobicContact CG2-CG1 3.58Å; T353-V400 WeakPolarHBondContact OG1-CG1 3.44Å; L371-V400 HydrophobicContact CD2-CG2 4.21Å; V375-V400 HydrophobicContact CG2-CG2 4.44Å; I396-V400 HydrophobicContact CG2-CG2 3.89Å; I396-V400 WeakPolarHBondContact O-CB 3.49Å; I396-V400 WeakPolarHBondContact O-CG2 3.34Å; I396-V400 PolarHBondContact O-N 3.2Å; E398-V400 PolarHBondContact O-N 2.9Å; V400-L402 PolarHBondContact O-N 3.43Å; V400-E403 PolarHBondContact O-N 3.36Å; V400-V404 HydrophobicContact CG1-CG2 4.19Å; V400-V404 WeakPolarHBondContact O-CB 3.33Å; V400-V404 VanDerWaalsContact O-CG2 3.22Å; V400-V404 WeakPolarHBondContact O-CG2 3.44Å; V400-V404 PolarHBondContact O-N 2.88Å; V400-L424 HydrophobicContact CG1-CD2 4.23Å; V400-I428 HydrophobicContact CB-CD1 4.1Å; V400-I428 HydrophobicContact CG1-CD1 3.91Å; V400-I428 HydrophobicContact CG2-CD1 4.29Å |
| 401 | C | 88.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 176.9 | -74.4 | 0 | 0 | 0 | 0 | 113.1 | G397 E398 S405 E421 | G397-C401 WeakPolarHBondContact O-CB 3.15Å; G397-C401 PolarHBondContact O-N 3.23Å; G397-C401 PolarHBondContact O-SG 2.93Å; E398-C401 PolarHBondContact O-N 3.47Å; C401-S405 VanDerWaalsContact O-CB 3.3Å; C401-S405 WeakPolarHBondContact O-CB 3.38Å; C401-S405 PolarHBondContact O-N 3.18Å; C401-S405 PolarHBondContact O-OG 3.33Å; C401-E421 HydrophobicContact CB-CG 3.68Å; C401-E421 WeakPolarHBondContact SG-CG 3.22Å |
| 402 | L | 87.1 | Confident | 85.8 | Confident | 125 Ų | 125 | 45 Ų | 45 | 65% | 0.654 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.8 | -44.2 | 174.2 | -70.4 | 170.6 | 0 | 0 | 0 | 111.8 | E398 K399 V400 S405 S406 | E398-L402 WeakPolarHBondContact O-CG 3.38Å; E398-L402 PolarHBondContact O-N 3.34Å; K399-L402 PolarHBondContact O-N 2.96Å; V400-L402 PolarHBondContact O-N 3.43Å; L402-S405 PolarHBondContact O-N 3.04Å; L402-S406 WeakPolarHBondContact O-CB 3.4Å; L402-S406 PolarHBondContact O-N 3.19Å |
| 403 | E | 87.4 | Confident | 84.9 | Confident | 29 Ų | 29 | 46 Ų | 46 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.7 | -43.1 | -179.6 | -168.1 | 59 | -133.4 | 0 | 0 | 112.1 | F367 K370 L371 I374 K399 V400 S405 S406 C407 | F367-E403 HydrophobicContact CD2-CG 4.29Å; F367-E403 HydrophobicContact CE2-CG 3.94Å; K370-E403 WeakPolarHBondContact CD-OE1 3.18Å; K370-E403 VanDerWaalsContact CE-CD 3.41Å; K370-E403 WeakPolarHBondContact CE-OE1 3.44Å; K370-E403 WeakPolarHBondContact CE-OE2 3.44Å; K370-E403 IonicContact NZ-OE1 2.7Å; K370-E403 PolarHBondContact NZ-OE1 2.81Å; K370-E403 IonicContact NZ-OE2 2.76Å; K370-E403 PolarHBondContact NZ-OE2 3.17Å; L371-E403 HydrophobicContact CD2-CB 3.95Å; L371-E403 HydrophobicContact CD2-CG 3.84Å; L371-E403 HydrophobicContact CG-CG 4.42Å; I374-E403 HydrophobicContact CD1-CG 4.44Å; K399-E403 WeakPolarHBondContact O-CB 3.45Å; K399-E403 PolarHBondContact O-N 2.95Å; V400-E403 PolarHBondContact O-N 3.36Å; E403-S405 VanDerWaalsContact C-N 3.31Å; E403-S405 PolarHBondContact O-N 3.01Å; E403-S406 PolarHBondContact O-N 2.87Å; E403-C407 WeakPolarHBondContact O-CB 3.27Å; E403-C407 PolarHBondContact O-N 3.38Å |
| 404 | V | 86.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 171.6 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | T353 F367 V400 C407 L408 F416 | T353-V404 HydrophobicContact CG2-CG2 3.77Å; F367-V404 HydrophobicContact CZ-CG2 3.88Å; V400-V404 HydrophobicContact CG1-CG2 4.19Å; V400-V404 WeakPolarHBondContact O-CB 3.33Å; V400-V404 VanDerWaalsContact O-CG2 3.22Å; V400-V404 WeakPolarHBondContact O-CG2 3.44Å; V400-V404 PolarHBondContact O-N 2.88Å; V404-C407 PolarHBondContact O-N 3.36Å; V404-L408 HydrophobicContact CG1-CD1 3.88Å; V404-L408 WeakPolarHBondContact O-CB 3.39Å; V404-L408 VanDerWaalsContact O-CG 3.32Å; V404-L408 WeakPolarHBondContact O-CG 3.28Å; V404-L408 PolarHBondContact O-N 3.45Å; V404-F416 HydrophobicContact CG1-CD2 3.89Å; V404-F416 HydrophobicContact CG1-CE2 3.93Å; V404-F416 HydrophobicContact CG1-CG 4.21Å; V404-F416 HydrophobicContact CG1-CZ 4.28Å |
| 405 | S | 84.4 | Confident | 82.9 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | C401 L402 E403 L408 S409 | C401-S405 VanDerWaalsContact O-CB 3.3Å; C401-S405 WeakPolarHBondContact O-CB 3.38Å; C401-S405 PolarHBondContact O-N 3.18Å; C401-S405 PolarHBondContact O-OG 3.33Å; L402-S405 PolarHBondContact O-N 3.04Å; E403-S405 VanDerWaalsContact C-N 3.31Å; E403-S405 PolarHBondContact O-N 3.01Å; S405-L408 PolarHBondContact O-N 3.32Å; S405-S409 PolarHBondContact O-N 3.04Å; S405-S409 VanDerWaalsContact O-N 3.11Å |
| 406 | S | 84.3 | Confident | 82.3 | Confident | 51 Ų | 51 | 52 Ų | 52 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | L402 E403 L408 S409 L410 | L402-S406 WeakPolarHBondContact O-CB 3.4Å; L402-S406 PolarHBondContact O-N 3.19Å; E403-S406 PolarHBondContact O-N 2.87Å; S406-L408 PolarHBondContact O-N 3.31Å; S406-S409 PolarHBondContact O-N 3.42Å; S406-S409 VanDerWaalsContact O-N 3.14Å; S406-S409 PolarHBondContact O-OG 2.9Å; S406-L410 PolarHBondContact O-N 3.01Å |
| 407 | C | 81.1 | Confident | 81.8 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 177.7 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | I361 F367 E403 V404 S409 L410 C411 | I361-C407 HydrophobicContact CD1-CB 4.21Å; I361-C407 HydrophobicContact CG2-CB 4.49Å; F367-C407 HydrophobicContact CD2-CB 3.63Å; F367-C407 HydrophobicContact CE2-CB 3.57Å; F367-C407 HydrophobicContact CZ-CB 4.47Å; E403-C407 WeakPolarHBondContact O-CB 3.27Å; E403-C407 PolarHBondContact O-N 3.38Å; V404-C407 PolarHBondContact O-N 3.36Å; C407-S409 VanDerWaalsContact C-N 3.28Å; C407-S409 PolarHBondContact O-N 3.49Å; C407-L410 PolarHBondContact O-N 3.5Å; C407-C411 WeakPolarHBondContact O-CB 3.27Å; C407-C411 PolarHBondContact O-N 3.23Å; C407-C411 PolarHBondContact O-SG 2.9Å; C407-C411 VanDerWaalsContact O-SG 3.33Å |
| 408 | L | 80.8 | Confident | 81.4 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.9 | -40.3 | 174.3 | -76.7 | 163.3 | 0 | 0 | 0 | 112.8 | A358 I361 V404 S405 S406 C411 G412 S413 F416 | A358-L408 HydrophobicContact CB-CD2 4.21Å; I361-L408 HydrophobicContact CD1-CB 4.29Å; I361-L408 HydrophobicContact CD1-CD2 3.44Å; I361-L408 VanDerWaalsContact CD1-CD2 3.44Å; I361-L408 HydrophobicContact CD1-CG 3.52Å; V404-L408 HydrophobicContact CG1-CD1 3.88Å; V404-L408 WeakPolarHBondContact O-CB 3.39Å; V404-L408 VanDerWaalsContact O-CG 3.32Å; V404-L408 WeakPolarHBondContact O-CG 3.28Å; V404-L408 PolarHBondContact O-N 3.45Å; S405-L408 PolarHBondContact O-N 3.32Å; S406-L408 PolarHBondContact O-N 3.31Å; L408-C411 PolarHBondContact O-N 3.39Å; L408-G412 PolarHBondContact O-N 3.23Å; L408-S413 PolarHBondContact O-N 3.06Å; L408-F416 HydrophobicContact CD1-CB 3.73Å; L408-F416 HydrophobicContact CD1-CD2 3.7Å; L408-F416 HydrophobicContact CD1-CG 4.1Å |
| 409 | S | 80.9 | Confident | 81.1 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 61% | 0.608 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | 178.4 | 72 | 0 | 0 | 0 | 0 | 113.2 | S405 S406 C407 G412 | S405-S409 PolarHBondContact O-N 3.04Å; S405-S409 VanDerWaalsContact O-N 3.11Å; S406-S409 PolarHBondContact O-N 3.42Å; S406-S409 VanDerWaalsContact O-N 3.14Å; S406-S409 PolarHBondContact O-OG 2.9Å; C407-S409 VanDerWaalsContact C-N 3.28Å; C407-S409 PolarHBondContact O-N 3.49Å; S409-G412 PolarHBondContact O-N 3.36Å |
| 410 | L | 79.1 | Confident | 80.8 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 76% | 0.759 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.4 | -36.4 | 174 | -67.8 | 170.2 | 0 | 0 | 0 | 112 | S406 C407 G412 | S406-L410 PolarHBondContact O-N 3.01Å; C407-L410 PolarHBondContact O-N 3.5Å; L410-G412 VanDerWaalsContact C-N 3.25Å; L410-G412 PolarHBondContact O-N 2.84Å |
| 411 | C | 70.4 | Confident | 80.6 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 10.4 | 177.7 | -63.3 | 0 | 0 | 0 | 0 | 114 | C407 L408 S413 | C407-C411 WeakPolarHBondContact O-CB 3.27Å; C407-C411 PolarHBondContact O-N 3.23Å; C407-C411 PolarHBondContact O-SG 2.9Å; C407-C411 VanDerWaalsContact O-SG 3.33Å; L408-C411 PolarHBondContact O-N 3.39Å; C411-S413 PolarHBondContact O-N 3.02Å; C411-S413 PolarHBondContact O-OG 3.27Å |
| 412 | G | 67.6 | Low | 80.6 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 75% | 0.753 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 23.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L408 S409 L410 | L408-G412 PolarHBondContact O-N 3.23Å; S409-G412 PolarHBondContact O-N 3.36Å; L410-G412 VanDerWaalsContact C-N 3.25Å; L410-G412 PolarHBondContact O-N 2.84Å |
| 413 | S | 73 | Confident | 80.8 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 35% | 0.35 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 164.1 | -170.9 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | L408 C411 | L408-S413 PolarHBondContact O-N 3.06Å; C411-S413 PolarHBondContact O-N 3.02Å; C411-S413 PolarHBondContact O-OG 3.27Å |
| 414 | S | 71.3 | Confident | 80.9 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 133 | 175.5 | 60.6 | 0 | 0 | 0 | 0 | 111 | ||
| 415 | P | 71.9 | Confident | 81.1 | Confident | 109 Ų | 109 | 67.4 Ų | 67.4 | 71% | 0.708 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 152.4 | -177.5 | 25.9 | -35 | 0 | 0 | 0 | 112 | T417 | P415-T417 PolarHBondContact O-N 3.49Š|
| 416 | F | 78.1 | Confident | 81.5 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 13% | 0.127 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 127.8 | 174.2 | -145.9 | -122.7 | 0 | 0 | 0 | 109.1 | V404 L408 K420 E421 L424 | V404-F416 HydrophobicContact CG1-CD2 3.89Å; V404-F416 HydrophobicContact CG1-CE2 3.93Å; V404-F416 HydrophobicContact CG1-CG 4.21Å; V404-F416 HydrophobicContact CG1-CZ 4.28Å; L408-F416 HydrophobicContact CD1-CB 3.73Å; L408-F416 HydrophobicContact CD1-CD2 3.7Å; L408-F416 HydrophobicContact CD1-CG 4.1Å; F416-K420 HydrophobicContact CD1-CB 4.17Å; F416-K420 HydrophobicContact CD2-CB 4.36Å; F416-K420 HydrophobicContact CD2-CD 4.35Å; F416-K420 HydrophobicContact CE1-CB 3.78Å; F416-K420 HydrophobicContact CE2-CB 3.99Å; F416-K420 HydrophobicContact CE2-CD 4.14Å; F416-K420 HydrophobicContact CG-CB 4.45Å; F416-K420 HydrophobicContact CZ-CB 3.68Å; F416-E421 HydrophobicContact CD1-CB 4.14Å; F416-E421 HydrophobicContact CD1-CG 4.44Å; F416-E421 HydrophobicContact CE1-CB 4.35Å; F416-L424 HydrophobicContact CE1-CB 4.32Å; F416-L424 HydrophobicContact CE1-CD2 3.75Å; F416-L424 HydrophobicContact CZ-CB 4.44Å; F416-L424 HydrophobicContact CZ-CD2 3.71Å |
| 417 | T | 82.2 | Confident | 81.8 | Confident | 65 Ų | 65 | 68.1 Ų | 68.1 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 147.9 | 179.8 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | P415 D419 K420 E421 | P415-T417 PolarHBondContact O-N 3.49Å; T417-D419 PolarHBondContact O-N 3.27Å; T417-D419 VanDerWaalsContact O-N 3.13Å; T417-K420 WeakPolarHBondContact O-CA 3.39Å; T417-K420 WeakPolarHBondContact O-CB 3.24Å; T417-K420 PolarHBondContact O-N 3.43Å; T417-K420 WeakPolarHBondContact OG1-CG 3.45Å; T417-E421 PolarHBondContact O-N 3.23Å |
| 418 | T | 82.6 | Confident | 82.4 | Confident | 102 Ų | 102 | 67.8 Ų | 67.8 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -54.8 | -33.9 | 179.6 | -41.1 | 0 | 0 | 0 | 0 | 112.5 | E421 T422 | T418-E421 WeakPolarHBondContact O-CB 3.23Å; T418-E421 PolarHBondContact O-N 3.01Å; T418-T422 WeakPolarHBondContact O-CG2 3.35Å; T418-T422 PolarHBondContact O-N 3.36Å; T418-T422 PolarHBondContact O-OG1 2.86Å |
| 419 | D | 85 | Confident | 83 | Confident | 123 Ų | 123 | 70.7 Ų | 70.7 | 66% | 0.658 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 175.1 | -46.3 | -52.2 | 0 | 0 | 0 | 111.8 | T417 E421 T422 V423 | T417-D419 PolarHBondContact O-N 3.27Å; T417-D419 VanDerWaalsContact O-N 3.13Å; D419-E421 VanDerWaalsContact C-N 3.3Å; D419-E421 PolarHBondContact O-N 2.97Å; D419-T422 PolarHBondContact O-N 2.94Å; D419-T422 PolarHBondContact O-OG1 3.17Å; D419-V423 VanDerWaalsContact O-CG2 3.3Å; D419-V423 WeakPolarHBondContact O-CG2 3.4Å; D419-V423 PolarHBondContact O-N 2.88Å |
| 420 | K | 84.2 | Confident | 83.5 | Confident | 99 Ų | 99 | 68.6 Ų | 68.6 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | 174.3 | -70.7 | 178.3 | 178.7 | -175.8 | 0 | 111.6 | F416 T417 L424 | F416-K420 HydrophobicContact CD1-CB 4.17Å; F416-K420 HydrophobicContact CD2-CB 4.36Å; F416-K420 HydrophobicContact CD2-CD 4.35Å; F416-K420 HydrophobicContact CE1-CB 3.78Å; F416-K420 HydrophobicContact CE2-CB 3.99Å; F416-K420 HydrophobicContact CE2-CD 4.14Å; F416-K420 HydrophobicContact CG-CB 4.45Å; F416-K420 HydrophobicContact CZ-CB 3.68Å; T417-K420 WeakPolarHBondContact O-CA 3.39Å; T417-K420 WeakPolarHBondContact O-CB 3.24Å; T417-K420 PolarHBondContact O-N 3.43Å; T417-K420 WeakPolarHBondContact OG1-CG 3.45Å; K420-L424 WeakPolarHBondContact O-CB 3.32Å; K420-L424 PolarHBondContact O-N 2.82Å |
| 421 | E | 86.3 | Confident | 84.1 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 176 | -155.2 | -166 | 144.6 | 0 | 0 | 112.1 | C401 F416 T417 T418 D419 L424 K425 | C401-E421 HydrophobicContact CB-CG 3.68Å; C401-E421 WeakPolarHBondContact SG-CG 3.22Å; F416-E421 HydrophobicContact CD1-CB 4.14Å; F416-E421 HydrophobicContact CD1-CG 4.44Å; F416-E421 HydrophobicContact CE1-CB 4.35Å; T417-E421 PolarHBondContact O-N 3.23Å; T418-E421 WeakPolarHBondContact O-CB 3.23Å; T418-E421 PolarHBondContact O-N 3.01Å; D419-E421 VanDerWaalsContact C-N 3.3Å; D419-E421 PolarHBondContact O-N 2.97Å; E421-L424 PolarHBondContact O-N 3.3Å; E421-K425 HydrophobicContact CG-CD 4.45Å; E421-K425 WeakPolarHBondContact O-CB 3.24Å; E421-K425 WeakPolarHBondContact O-CG 3.43Å; E421-K425 PolarHBondContact O-N 2.87Å; E421-K425 VanDerWaalsContact OE1-CE 3.29Å; E421-K425 WeakPolarHBondContact OE1-CE 3.31Å; E421-K425 IonicContact OE1-NZ 3.73Å; E421-K425 PolarHBondContact OE1-NZ 3.29Å |
| 422 | T | 88.7 | Confident | 85.1 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 177.4 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | T418 D419 G426 | T418-T422 WeakPolarHBondContact O-CG2 3.35Å; T418-T422 PolarHBondContact O-N 3.36Å; T418-T422 PolarHBondContact O-OG1 2.86Å; D419-T422 PolarHBondContact O-N 2.94Å; D419-T422 PolarHBondContact O-OG1 3.17Å; T422-G426 PolarHBondContact O-N 3Å |
| 423 | V | 91.2 | Very high | 86.2 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 42% | 0.418 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 173.8 | 172 | 0 | 0 | 0 | 0 | 111.6 | M356 D419 K425 G426 Q427 | M356-V423 HydrophobicContact SD-CG1 3.88Å; D419-V423 VanDerWaalsContact O-CG2 3.3Å; D419-V423 WeakPolarHBondContact O-CG2 3.4Å; D419-V423 PolarHBondContact O-N 2.88Å; V423-K425 PolarHBondContact O-N 2.94Å; V423-G426 PolarHBondContact O-N 3.39Å; V423-Q427 HydrophobicContact CG1-CG 4.43Å; V423-Q427 WeakPolarHBondContact O-CG 3.41Å; V423-Q427 PolarHBondContact O-N 3.47Å |
| 424 | L | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 178.6 | 176.8 | 53.4 | 0 | 0 | 0 | 111.5 | I352 M356 V400 F416 K420 E421 Q427 I428 | I352-L424 HydrophobicContact CG2-CD1 3.64Å; M356-L424 HydrophobicContact CB-CD1 4.28Å; M356-L424 HydrophobicContact CG-CD1 4.15Å; M356-L424 HydrophobicContact SD-CB 4.43Å; V400-L424 HydrophobicContact CG1-CD2 4.23Å; F416-L424 HydrophobicContact CE1-CB 4.32Å; F416-L424 HydrophobicContact CE1-CD2 3.75Å; F416-L424 HydrophobicContact CZ-CB 4.44Å; F416-L424 HydrophobicContact CZ-CD2 3.71Å; K420-L424 WeakPolarHBondContact O-CB 3.32Å; K420-L424 PolarHBondContact O-N 2.82Å; E421-L424 PolarHBondContact O-N 3.3Å; L424-Q427 PolarHBondContact O-N 2.83Å; L424-I428 HydrophobicContact CD1-CD1 3.64Å; L424-I428 HydrophobicContact CD1-CG1 4.13Å; L424-I428 HydrophobicContact CG-CD1 4.06Å; L424-I428 WeakPolarHBondContact O-CB 3.21Å; L424-I428 WeakPolarHBondContact O-CG1 3.45Å; L424-I428 PolarHBondContact O-N 2.97Å |
| 425 | K | 91.4 | Very high | 87.5 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 27% | 0.274 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 174.2 | -75.2 | 172.1 | 173.6 | 179.3 | 0 | 112.2 | E421 V423 I428 Q429 | E421-K425 HydrophobicContact CG-CD 4.45Å; E421-K425 WeakPolarHBondContact O-CB 3.24Å; E421-K425 WeakPolarHBondContact O-CG 3.43Å; E421-K425 PolarHBondContact O-N 2.87Å; E421-K425 VanDerWaalsContact OE1-CE 3.29Å; E421-K425 WeakPolarHBondContact OE1-CE 3.31Å; E421-K425 IonicContact OE1-NZ 3.73Å; E421-K425 PolarHBondContact OE1-NZ 3.29Å; V423-K425 PolarHBondContact O-N 2.94Å; K425-I428 PolarHBondContact O-N 3.43Å; K425-Q429 WeakPolarHBondContact O-CB 3.26Å; K425-Q429 PolarHBondContact O-N 3.44Å |
| 426 | G | 91.1 | Very high | 88.5 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | T422 V423 Q429 A430 | T422-G426 PolarHBondContact O-N 3Å; V423-G426 PolarHBondContact O-N 3.39Å; G426-Q429 PolarHBondContact O-N 3.36Å; G426-A430 PolarHBondContact O-N 3.43Å |
| 427 | Q | 91.6 | Very high | 89.1 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 176.4 | -73.4 | -177.5 | -20 | 0 | 0 | 112.1 | I352 V423 L424 Q429 A430 | I352-Q427 HydrophobicContact CD1-CB 4.31Å; I352-Q427 HydrophobicContact CG2-CB 3.78Å; V423-Q427 HydrophobicContact CG1-CG 4.43Å; V423-Q427 WeakPolarHBondContact O-CG 3.41Å; V423-Q427 PolarHBondContact O-N 3.47Å; L424-Q427 PolarHBondContact O-N 2.83Å; Q427-Q429 VanDerWaalsContact C-N 3.34Å; Q427-Q429 PolarHBondContact O-N 2.91Å; Q427-A430 WeakPolarHBondContact O-CB 3.4Å; Q427-A430 PolarHBondContact O-N 3.27Å |
| 428 | I | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.6 | -71.7 | 171.9 | 0 | 0 | 0 | 111.1 | V349 I352 L393 I396 V400 L424 K425 A430 | V349-I428 HydrophobicContact CG1-CD1 4.25Å; V349-I428 HydrophobicContact CG1-CG1 4.34Å; V349-I428 HydrophobicContact CG1-CG2 4.5Å; V349-I428 HydrophobicContact CG2-CG2 4.2Å; I352-I428 HydrophobicContact CG2-CG1 4.07Å; L393-I428 HydrophobicContact CB-CG2 4.4Å; L393-I428 HydrophobicContact CD2-CG2 4.03Å; L393-I428 VanDerWaalsContact O-CG2 3.29Å; L393-I428 WeakPolarHBondContact O-CG2 3.22Å; I396-I428 HydrophobicContact CB-CG2 4.48Å; I396-I428 HydrophobicContact CG2-CG2 4.07Å; V400-I428 HydrophobicContact CB-CD1 4.1Å; V400-I428 HydrophobicContact CG1-CD1 3.91Å; V400-I428 HydrophobicContact CG2-CD1 4.29Å; L424-I428 HydrophobicContact CD1-CD1 3.64Å; L424-I428 HydrophobicContact CD1-CG1 4.13Å; L424-I428 HydrophobicContact CG-CD1 4.06Å; L424-I428 WeakPolarHBondContact O-CB 3.21Å; L424-I428 WeakPolarHBondContact O-CG1 3.45Å; L424-I428 PolarHBondContact O-N 2.97Å; K425-I428 PolarHBondContact O-N 3.43Å; I428-A430 VanDerWaalsContact C-N 3.33Å; I428-A430 PolarHBondContact O-N 3.17Å |
| 429 | Q | 93.4 | Very high | 89.9 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.9 | -32.2 | 176.1 | -166 | -172.8 | 77.9 | 0 | 0 | 112.5 | K390 T394 K425 G426 Q427 V431 A432 | K390-Q429 HydrophobicContact CG-CG 3.8Å; T394-Q429 PolarHBondContact OG1-NE2 2.86Å; K425-Q429 WeakPolarHBondContact O-CB 3.26Å; K425-Q429 PolarHBondContact O-N 3.44Å; G426-Q429 PolarHBondContact O-N 3.36Å; Q427-Q429 VanDerWaalsContact C-N 3.34Å; Q427-Q429 PolarHBondContact O-N 2.91Å; Q429-V431 VanDerWaalsContact C-N 3.3Å; Q429-V431 PolarHBondContact O-N 3.42Å; Q429-A432 VanDerWaalsContact O-CB 3.27Å; Q429-A432 WeakPolarHBondContact O-CB 3.35Å; Q429-A432 PolarHBondContact O-N 2.98Å |
| 430 | A | 92.2 | Very high | 90.2 | Very high | 44 Ų | 44 | 55 Ų | 55 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -33.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | G426 Q427 I428 A432 S433 | G426-A430 PolarHBondContact O-N 3.43Å; Q427-A430 WeakPolarHBondContact O-CB 3.4Å; Q427-A430 PolarHBondContact O-N 3.27Å; I428-A430 VanDerWaalsContact C-N 3.33Å; I428-A430 PolarHBondContact O-N 3.17Å; A430-A432 PolarHBondContact O-N 3.45Å; A430-S433 WeakPolarHBondContact O-CB 3.39Å; A430-S433 PolarHBondContact O-N 3.47Å |
| 431 | V | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.5 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 113.1 | V345 A348 I352 L393 Q429 S433 R439 | V345-V431 HydrophobicContact CG1-CG1 4.09Å; V345-V431 HydrophobicContact CG2-CG1 4.48Å; A348-V431 HydrophobicContact CB-CG1 3.84Å; A348-V431 HydrophobicContact CB-CG2 4.03Å; I352-V431 HydrophobicContact CD1-CG2 3.49Å; I352-V431 VanDerWaalsContact CD1-CG2 3.49Å; L393-V431 HydrophobicContact CD1-CB 4.16Å; L393-V431 HydrophobicContact CD1-CG1 4.47Å; Q429-V431 VanDerWaalsContact C-N 3.3Å; Q429-V431 PolarHBondContact O-N 3.42Å; V431-S433 PolarHBondContact O-N 2.95Å; V431-R439 HydrophobicContact CG1-CB 4.47Å; V431-R439 WeakPolarHBondContact O-CD 3.31Å; V431-R439 PolarHBondContact O-NH1 3.44Å |
| 432 | A | 91.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L389 K390 L393 Q429 A430 R439 | L389-A432 HydrophobicContact CG-CB 4.46Å; K390-A432 HydrophobicContact CB-CB 3.96Å; K390-A432 HydrophobicContact CG-CB 4.25Å; L393-A432 HydrophobicContact CD1-CB 3.88Å; L393-A432 VanDerWaalsContact CD1-N 3.32Å; Q429-A432 VanDerWaalsContact O-CB 3.27Å; Q429-A432 WeakPolarHBondContact O-CB 3.35Å; Q429-A432 PolarHBondContact O-N 2.98Å; A430-A432 PolarHBondContact O-N 3.45Å; A432-R439 PolarHBondContact O-NH1 3.01Å |
| 433 | S | 90.3 | Very high | 90.8 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -73.7 | 136.6 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | A430 V431 D435 D436 R439 | A430-S433 WeakPolarHBondContact O-CB 3.39Å; A430-S433 PolarHBondContact O-N 3.47Å; V431-S433 PolarHBondContact O-N 2.95Å; S433-D435 PolarHBondContact O-N 2.88Å; S433-D435 PolarHBondContact OG-N 3.44Å; S433-D436 PolarHBondContact O-N 2.82Å; S433-R439 WeakPolarHBondContact O-CD 3.47Å; S433-R439 PolarHBondContact O-NH1 3.41Å |
| 434 | P | 84.7 | Confident | 90.8 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.2 | 169.1 | 30.6 | -35.5 | 0 | 0 | 0 | 112.6 | R440 | P434-R440 WeakPolarHBondContact O-CD 3.49Å; P434-R440 PolarHBondContact O-NE 3.08Å |
| 435 | D | 87.6 | Confident | 90.8 | Very high | 110 Ų | 110 | 53.4 Ų | 53.4 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 6.5 | 179.3 | -64.6 | -48 | 0 | 0 | 0 | 113.7 | S433 R440 | S433-D435 PolarHBondContact O-N 2.88Å; S433-D435 PolarHBondContact OG-N 3.44Å; D435-R440 IonicContact OD1-CZ 3.84Å; D435-R440 IonicContact OD1-NE 3.62Å; D435-R440 IonicContact OD1-NH2 3.88Å; D435-R440 PolarHBondContact OD1-NH2 3.17Å |
| 436 | D | 91.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | trans | -61.3 | 128.6 | 170.4 | 174.8 | -92.3 | 0 | 0 | 0 | 110.8 | S433 I438 R439 R440 | S433-D436 PolarHBondContact O-N 2.82Å; D436-I438 VanDerWaalsContact C-N 3.28Å; D436-I438 PolarHBondContact O-N 3.26Å; D436-I438 WeakPolarHBondContact OD1-CA 3.34Å; D436-I438 VanDerWaalsContact OD1-CB 3.3Å; D436-I438 WeakPolarHBondContact OD1-CB 3.35Å; D436-I438 PolarHBondContact OD1-N 3.37Å; D436-R439 HydrophobicContact CB-CB 4.02Å; D436-R439 PolarHBondContact O-N 3.36Å; D436-R439 PolarHBondContact OD1-N 2.83Å; D436-R440 WeakPolarHBondContact O-CG 3.4Å; D436-R440 PolarHBondContact O-N 3.13Å | ||
| 437 | P | 90.5 | Very high | 90.8 | Very high | 85 Ų | 85 | 50 Ų | 50 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.5 | -29.3 | -175 | 25.4 | -34.8 | 0 | 0 | 0 | 113 | I441 | P437-I441 WeakPolarHBondContact O-CB 3.3Å; P437-I441 VanDerWaalsContact O-CD1 3.31Å; P437-I441 WeakPolarHBondContact O-CD1 3.36Å; P437-I441 WeakPolarHBondContact O-CG1 3.34Å; P437-I441 PolarHBondContact O-N 3.09Å |
| 438 | I | 90.3 | Very high | 90.8 | Very high | 41 Ų | 41 | 50 Ų | 50 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.8 | -44.2 | 179.1 | -53.8 | -179.6 | 0 | 0 | 0 | 109.2 | A348 L351 I352 D436 I441 M442 | A348-I438 HydrophobicContact CB-CG2 4.13Å; L351-I438 HydrophobicContact CD2-CG2 4.17Å; I352-I438 HydrophobicContact CD1-CD1 3.93Å; I352-I438 HydrophobicContact CD1-CG2 4.45Å; I352-I438 HydrophobicContact CG1-CD1 3.54Å; I352-I438 HydrophobicContact CG1-CG2 4.21Å; D436-I438 VanDerWaalsContact C-N 3.28Å; D436-I438 PolarHBondContact O-N 3.26Å; D436-I438 WeakPolarHBondContact OD1-CA 3.34Å; D436-I438 VanDerWaalsContact OD1-CB 3.3Å; D436-I438 WeakPolarHBondContact OD1-CB 3.35Å; D436-I438 PolarHBondContact OD1-N 3.37Å; I438-I441 PolarHBondContact O-N 2.69Å; I438-M442 WeakPolarHBondContact O-CG 3.19Å; I438-M442 PolarHBondContact O-N 2.75Å |
| 439 | R | 91.4 | Very high | 90.7 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | 172.2 | -172 | -178.8 | 178.8 | 163.3 | -6 | 111.7 | T344 V431 A432 S433 D436 I441 M442 E443 | T344-R439 HydrophobicContact CG2-CG 3.88Å; V431-R439 HydrophobicContact CG1-CB 4.47Å; V431-R439 WeakPolarHBondContact O-CD 3.31Å; V431-R439 PolarHBondContact O-NH1 3.44Å; A432-R439 PolarHBondContact O-NH1 3.01Å; S433-R439 WeakPolarHBondContact O-CD 3.47Å; S433-R439 PolarHBondContact O-NH1 3.41Å; D436-R439 HydrophobicContact CB-CB 4.02Å; D436-R439 PolarHBondContact O-N 3.36Å; D436-R439 PolarHBondContact OD1-N 2.83Å; R439-I441 VanDerWaalsContact C-N 3.29Å; R439-I441 PolarHBondContact O-N 3.32Å; R439-M442 PolarHBondContact O-N 3.1Å; R439-M442 VanDerWaalsContact O-N 3.17Å; R439-E443 WeakPolarHBondContact O-CB 3.44Å; R439-E443 PolarHBondContact O-N 3.29Å |
| 440 | R | 91.6 | Very high | 90.6 | Very high | 115 Ų | 115 | 47 Ų | 47 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -37.9 | 176.3 | -69.9 | -67.8 | -163.4 | 160.6 | 5.6 | 112.6 | P434 D435 D436 E443 S444 | P434-R440 WeakPolarHBondContact O-CD 3.49Å; P434-R440 PolarHBondContact O-NE 3.08Å; D435-R440 IonicContact OD1-CZ 3.84Å; D435-R440 IonicContact OD1-NE 3.62Å; D435-R440 IonicContact OD1-NH2 3.88Å; D435-R440 PolarHBondContact OD1-NH2 3.17Å; D436-R440 WeakPolarHBondContact O-CG 3.4Å; D436-R440 PolarHBondContact O-N 3.13Å; R440-E443 IonicContact NH1-OE2 3.82Å; R440-S444 VanDerWaalsContact O-CB 3.26Å; R440-S444 WeakPolarHBondContact O-CB 3.13Å; R440-S444 PolarHBondContact O-N 3.33Å |
| 441 | I | 90.4 | Very high | 90.4 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 40% | 0.395 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.1 | -37.9 | 176.3 | -72.7 | 166.2 | 0 | 0 | 0 | 111.8 | P437 I438 R439 R445 | P437-I441 WeakPolarHBondContact O-CB 3.3Å; P437-I441 VanDerWaalsContact O-CD1 3.31Å; P437-I441 WeakPolarHBondContact O-CD1 3.36Å; P437-I441 WeakPolarHBondContact O-CG1 3.34Å; P437-I441 PolarHBondContact O-N 3.09Å; I438-I441 PolarHBondContact O-N 2.69Å; R439-I441 VanDerWaalsContact C-N 3.29Å; R439-I441 PolarHBondContact O-N 3.32Å; I441-R445 VanDerWaalsContact CG2-NH2 3.34Å; I441-R445 WeakPolarHBondContact O-CB 3.25Å; I441-R445 VanDerWaalsContact O-CG 3.28Å; I441-R445 WeakPolarHBondContact O-CG 3.43Å; I441-R445 PolarHBondContact O-N 2.94Å |
| 442 | M | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -48.7 | 173.7 | -68.6 | -58.4 | 91 | 0 | 0 | 111.7 | T344 A348 L351 I438 R439 S444 R445 I446 L469 | T344-M442 HydrophobicContact CG2-CB 4.05Å; A348-M442 HydrophobicContact CB-CG 3.93Å; L351-M442 HydrophobicContact CB-SD 4.49Å; L351-M442 HydrophobicContact CD2-CE 3.35Å; L351-M442 HydrophobicContact CD2-SD 3.96Å; I438-M442 WeakPolarHBondContact O-CG 3.19Å; I438-M442 PolarHBondContact O-N 2.75Å; R439-M442 PolarHBondContact O-N 3.1Å; R439-M442 VanDerWaalsContact O-N 3.17Å; M442-S444 VanDerWaalsContact C-N 3.33Å; M442-S444 PolarHBondContact O-N 3.38Å; M442-R445 PolarHBondContact O-N 3.25Å; M442-I446 WeakPolarHBondContact O-CB 3.43Å; M442-I446 VanDerWaalsContact O-CG1 3.31Å; M442-I446 WeakPolarHBondContact O-CG1 3.38Å; M442-I446 PolarHBondContact O-N 3.07Å; M442-L469 HydrophobicContact SD-CD2 3.75Å; M442-L469 HydrophobicContact SD-CG 4.34Å |
| 443 | E | 91.4 | Very high | 90.1 | Very high | 48 Ų | 48 | 52 Ų | 52 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -51.4 | -52.8 | 174.9 | -168.6 | -159.6 | 162.3 | 0 | 0 | 110.4 | K314 T344 R439 R440 I446 L447 | K314-E443 VanDerWaalsContact CE-OE1 3.28Å; K314-E443 WeakPolarHBondContact CE-OE1 3.29Å; K314-E443 IonicContact NZ-OE1 3.69Å; K314-E443 PolarHBondContact NZ-OE1 2.91Å; T344-E443 HydrophobicContact CG2-CB 4.07Å; R439-E443 WeakPolarHBondContact O-CB 3.44Å; R439-E443 PolarHBondContact O-N 3.29Å; R440-E443 IonicContact NH1-OE2 3.82Å; E443-I446 PolarHBondContact O-N 3.01Å; E443-L447 HydrophobicContact CG-CD1 4.06Å; E443-L447 WeakPolarHBondContact O-CD1 3.46Å; E443-L447 VanDerWaalsContact O-CG 3.22Å; E443-L447 WeakPolarHBondContact O-CG 3.29Å; E443-L447 PolarHBondContact O-N 2.99Å |
| 444 | S | 90.3 | Very high | 89.9 | Confident | 67 Ų | 67 | 50 Ų | 50 | 47% | 0.469 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 177.9 | -177 | 0 | 0 | 0 | 0 | 112.8 | R440 M442 I446 L447 T448 | R440-S444 VanDerWaalsContact O-CB 3.26Å; R440-S444 WeakPolarHBondContact O-CB 3.13Å; R440-S444 PolarHBondContact O-N 3.33Å; M442-S444 VanDerWaalsContact C-N 3.33Å; M442-S444 PolarHBondContact O-N 3.38Å; S444-I446 PolarHBondContact O-N 2.89Å; S444-L447 PolarHBondContact O-N 3.47Å; S444-T448 PolarHBondContact O-N 2.87Å; S444-T448 PolarHBondContact O-OG1 3.21Å |
| 445 | R | 91.1 | Very high | 89.9 | Confident | 86 Ų | 86 | 50 Ų | 50 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 178.7 | -75.8 | 177.4 | -169.2 | 166.5 | 10.8 | 112.8 | I441 M442 F449 P466 G467 L469 | I441-R445 VanDerWaalsContact CG2-NH2 3.34Å; I441-R445 WeakPolarHBondContact O-CB 3.25Å; I441-R445 VanDerWaalsContact O-CG 3.28Å; I441-R445 WeakPolarHBondContact O-CG 3.43Å; I441-R445 PolarHBondContact O-N 2.94Å; M442-R445 PolarHBondContact O-N 3.25Å; R445-F449 WeakPolarHBondContact O-CB 3.41Å; R445-F449 PolarHBondContact O-N 3.46Å; R445-P466 HydrophobicContact CB-CB 3.87Å; R445-P466 HydrophobicContact CB-CG 4.2Å; R445-P466 HydrophobicContact CG-CB 3.89Å; R445-G467 PolarHBondContact NH1-O 3.32Å; R445-L469 HydrophobicContact CB-CD1 3.7Å |
| 446 | I | 91.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 176.2 | -75.7 | 168.1 | 0 | 0 | 0 | 110.3 | L340 T344 M442 E443 S444 F449 L450 L469 L476 | L340-I446 HydrophobicContact CD2-CG2 3.47Å; L340-I446 VanDerWaalsContact CD2-CG2 3.47Å; T344-I446 WeakPolarHBondContact OG1-CD1 3.29Å; M442-I446 WeakPolarHBondContact O-CB 3.43Å; M442-I446 VanDerWaalsContact O-CG1 3.31Å; M442-I446 WeakPolarHBondContact O-CG1 3.38Å; M442-I446 PolarHBondContact O-N 3.07Å; E443-I446 PolarHBondContact O-N 3.01Å; S444-I446 PolarHBondContact O-N 2.89Å; I446-F449 WeakPolarHBondContact O-CB 3.5Å; I446-F449 PolarHBondContact O-N 2.92Å; I446-L450 HydrophobicContact CG2-CD1 4.45Å; I446-L450 WeakPolarHBondContact O-CG 3.34Å; I446-L450 PolarHBondContact O-N 3.46Å; I446-L469 HydrophobicContact CD1-CD2 4.1Å; I446-L469 HydrophobicContact CG1-CD1 3.72Å; I446-L469 HydrophobicContact CG1-CD2 3.89Å; I446-L469 HydrophobicContact CG1-CG 4.49Å; I446-L476 HydrophobicContact CG1-CD1 4.29Å; I446-L476 HydrophobicContact CG2-CD1 3.96Å |
| 447 | L | 90.9 | Very high | 88 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.8 | -43.5 | -179.4 | -65.3 | 155.8 | 0 | 0 | 0 | 112.6 | E443 S444 F449 L450 E451 | E443-L447 HydrophobicContact CG-CD1 4.06Å; E443-L447 WeakPolarHBondContact O-CD1 3.46Å; E443-L447 VanDerWaalsContact O-CG 3.22Å; E443-L447 WeakPolarHBondContact O-CG 3.29Å; E443-L447 PolarHBondContact O-N 2.99Å; S444-L447 PolarHBondContact O-N 3.47Å; L447-F449 PolarHBondContact O-N 2.82Å; L447-L450 PolarHBondContact O-N 2.84Å; L447-E451 WeakPolarHBondContact O-CB 3.45Å; L447-E451 PolarHBondContact O-N 3.33Å |
| 448 | T | 89.8 | Confident | 86.4 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | S444 T452 | S444-T448 PolarHBondContact O-N 2.87Å; S444-T448 PolarHBondContact O-OG1 3.21Å; T448-T452 WeakPolarHBondContact O-CB 3.44Å; T448-T452 PolarHBondContact O-N 2.99Å; T448-T452 PolarHBondContact O-OG1 2.95Å |
| 449 | F | 90.8 | Very high | 84.4 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 171.5 | 178 | -95.2 | 0 | 0 | 0 | 111.7 | R445 I446 L447 E451 T452 Y453 P463 V465 P466 L476 E477 A480 | R445-F449 WeakPolarHBondContact O-CB 3.41Å; R445-F449 PolarHBondContact O-N 3.46Å; I446-F449 WeakPolarHBondContact O-CB 3.5Å; I446-F449 PolarHBondContact O-N 2.92Å; L447-F449 PolarHBondContact O-N 2.82Å; F449-E451 VanDerWaalsContact C-N 3.35Å; F449-E451 PolarHBondContact O-N 2.7Å; F449-T452 PolarHBondContact O-N 2.94Å; F449-Y453 HydrophobicContact CE1-CD2 4.4Å; F449-Y453 HydrophobicContact CZ-CD2 4.35Å; F449-Y453 VanDerWaalsContact O-CB 3.32Å; F449-Y453 WeakPolarHBondContact O-CB 3.28Å; F449-Y453 PolarHBondContact O-N 3.16Å; F449-P463 HydrophobicContact CD2-CB 4.09Å; F449-P463 HydrophobicContact CE2-CB 3.99Å; F449-V465 HydrophobicContact CD2-CG2 4.43Å; F449-V465 HydrophobicContact CE2-CG2 3.78Å; F449-V465 HydrophobicContact CZ-CG2 4.29Å; F449-P466 HydrophobicContact CB-CG 4.4Å; F449-L476 HydrophobicContact CB-CD2 4.45Å; F449-L476 HydrophobicContact CD1-CD1 4.05Å; F449-L476 HydrophobicContact CD1-CD2 3.7Å; F449-L476 HydrophobicContact CD1-CG 3.65Å; F449-L476 HydrophobicContact CE1-CD1 4.43Å; F449-L476 HydrophobicContact CE1-CD2 4.03Å; F449-L476 HydrophobicContact CE1-CG 3.71Å; F449-L476 HydrophobicContact CG-CD2 4.01Å; F449-L476 HydrophobicContact CG-CG 4.46Å; F449-E477 HydrophobicContact CZ-CG 4.19Å; F449-A480 HydrophobicContact CD1-CB 4.5Å; F449-A480 HydrophobicContact CE1-CB 3.86Å |
| 450 | L | 91.5 | Very high | 82.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.1 | -66.9 | 175.8 | 0 | 0 | 0 | 112.5 | L310 L313 L340 I446 L447 Y453 L454 A480 F483 | L310-L450 HydrophobicContact CD2-CB 3.6Å; L310-L450 HydrophobicContact CD2-CD1 4.3Å; L313-L450 HydrophobicContact CD1-CD1 3.82Å; L340-L450 HydrophobicContact CD1-CD1 3.97Å; L340-L450 HydrophobicContact CD2-CD1 3.9Å; I446-L450 HydrophobicContact CG2-CD1 4.45Å; I446-L450 WeakPolarHBondContact O-CG 3.34Å; I446-L450 PolarHBondContact O-N 3.46Å; L447-L450 PolarHBondContact O-N 2.84Å; L450-Y453 PolarHBondContact O-N 3.33Å; L450-L454 WeakPolarHBondContact O-CG 3.34Å; L450-L454 PolarHBondContact O-N 2.89Å; L450-A480 HydrophobicContact CD2-CB 3.66Å; L450-F483 HydrophobicContact CB-CD1 4.35Å; L450-F483 HydrophobicContact CB-CE1 4.18Å; L450-F483 HydrophobicContact CD2-CD1 4.12Å |
| 451 | E | 89.6 | Confident | 81.2 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 176 | -170.4 | 175 | -163.8 | 0 | 0 | 111.7 | L310 L447 F449 Y453 L454 A455 | L310-E451 HydrophobicContact CD1-CB 3.54Å; L310-E451 HydrophobicContact CD1-CG 3.76Å; L447-E451 WeakPolarHBondContact O-CB 3.45Å; L447-E451 PolarHBondContact O-N 3.33Å; F449-E451 VanDerWaalsContact C-N 3.35Å; F449-E451 PolarHBondContact O-N 2.7Å; E451-Y453 VanDerWaalsContact C-N 3.29Å; E451-Y453 PolarHBondContact O-N 2.86Å; E451-L454 PolarHBondContact O-N 3.45Å; E451-A455 WeakPolarHBondContact O-CB 3.4Å; E451-A455 PolarHBondContact O-N 3.44Å |
| 452 | T | 87.8 | Confident | 79.8 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.9 | -52.6 | 0 | 0 | 0 | 0 | 110.8 | T448 F449 A455 S456 P463 | T448-T452 WeakPolarHBondContact O-CB 3.44Å; T448-T452 PolarHBondContact O-N 2.99Å; T448-T452 PolarHBondContact O-OG1 2.95Å; F449-T452 PolarHBondContact O-N 2.94Å; T452-A455 PolarHBondContact O-N 2.97Å; T452-S456 PolarHBondContact O-N 3.32Å; T452-S456 PolarHBondContact O-OG 3.34Å; T452-P463 HydrophobicContact CG2-CB 3.85Å; T452-P463 HydrophobicContact CG2-CG 3.91Å |
| 453 | Y | 88 | Confident | 78.6 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 177.2 | -163.6 | -74.4 | 0 | 0 | 0 | 112.3 | F449 L450 E451 A455 S456 L462 P463 A480 I481 A484 | F449-Y453 HydrophobicContact CE1-CD2 4.4Å; F449-Y453 HydrophobicContact CZ-CD2 4.35Å; F449-Y453 VanDerWaalsContact O-CB 3.32Å; F449-Y453 WeakPolarHBondContact O-CB 3.28Å; F449-Y453 PolarHBondContact O-N 3.16Å; L450-Y453 PolarHBondContact O-N 3.33Å; E451-Y453 VanDerWaalsContact C-N 3.29Å; E451-Y453 PolarHBondContact O-N 2.86Å; Y453-A455 VanDerWaalsContact C-N 3.29Å; Y453-A455 PolarHBondContact O-N 2.82Å; Y453-S456 PolarHBondContact O-OG 3.39Å; Y453-S456 VanDerWaalsContact O-OG 3.04Å; Y453-L462 HydrophobicContact CE2-CD2 4.39Å; Y453-L462 HydrophobicContact CE2-CG 4.17Å; Y453-P463 HydrophobicContact CD2-CG 4.26Å; Y453-A480 HydrophobicContact CD1-CB 4.33Å; Y453-A480 HydrophobicContact CD2-CB 3.96Å; Y453-A480 HydrophobicContact CE2-CB 4.16Å; Y453-A480 HydrophobicContact CG-CB 4.06Å; Y453-I481 VanDerWaalsContact OH-CG1 3.24Å; Y453-I481 WeakPolarHBondContact OH-CG1 3.41Å; Y453-A484 HydrophobicContact CD1-CB 3.75Å; Y453-A484 HydrophobicContact CE1-CB 3.62Å |
| 454 | L | 87.2 | Confident | 77.6 | Confident | 10 Ų | 10 | 70 Ų | 70 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 171.5 | -75.1 | -173.3 | 0 | 0 | 0 | 112.2 | N306 L450 E451 F483 A484 V487 | N306-L454 HydrophobicContact CB-CD1 4.26Å; L450-L454 WeakPolarHBondContact O-CG 3.34Å; L450-L454 PolarHBondContact O-N 2.89Å; E451-L454 PolarHBondContact O-N 3.45Å; L454-F483 HydrophobicContact CD1-CD1 4.38Å; L454-F483 HydrophobicContact CD1-CE1 3.46Å; L454-F483 VanDerWaalsContact CD1-CE1 3.46Å; L454-F483 HydrophobicContact CD1-CZ 3.85Å; L454-F483 HydrophobicContact CD2-CD1 4.26Å; L454-F483 HydrophobicContact CD2-CE1 4.13Å; L454-F483 HydrophobicContact CG-CD1 4.27Å; L454-F483 HydrophobicContact CG-CE1 3.77Å; L454-A484 HydrophobicContact CD2-CB 4.04Å; L454-V487 HydrophobicContact CD1-CG1 4.2Å; L454-V487 HydrophobicContact CD2-CB 3.96Å; L454-V487 HydrophobicContact CD2-CG1 3.84Å; L454-V487 HydrophobicContact CD2-CG2 4.37Å |
| 455 | A | 83.7 | Confident | 76.8 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -77.3 | -32.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E451 T452 Y453 G457 | E451-A455 WeakPolarHBondContact O-CB 3.4Å; E451-A455 PolarHBondContact O-N 3.44Å; T452-A455 PolarHBondContact O-N 2.97Å; Y453-A455 VanDerWaalsContact C-N 3.29Å; Y453-A455 PolarHBondContact O-N 2.82Å; A455-G457 VanDerWaalsContact C-N 3.33Å; A455-G457 PolarHBondContact O-N 3.17Å |
| 456 | S | 76.5 | Confident | 75.9 | Confident | 48 Ų | 48 | 65 Ų | 65 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.3 | -23.1 | 179.9 | 52 | 0 | 0 | 0 | 0 | 114.1 | T452 Y453 | T452-S456 PolarHBondContact O-N 3.32Å; T452-S456 PolarHBondContact O-OG 3.34Å; Y453-S456 PolarHBondContact O-OG 3.39Å; Y453-S456 VanDerWaalsContact O-OG 3.04Å |
| 457 | G | 64.1 | Low | 74.7 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 40% | 0.402 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | -145 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | A455 Q459 | A455-G457 VanDerWaalsContact C-N 3.33Å; A455-G457 PolarHBondContact O-N 3.17Å; G457-Q459 VanDerWaalsContact C-N 3.33Å; G457-Q459 PolarHBondContact O-N 3.03Å |
| 458 | H | 55.9 | Low | 73.7 | Confident | 185 Ų | 185 | 66.8 Ų | 66.8 | 86% | 0.856 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 8.7 | -173.7 | -71.3 | 99.4 | 0 | 0 | 0 | 115.1 | ||
| 459 | Q | 48.2 | Very low | 73.1 | Confident | 168 Ų | 168 | 63.5 Ų | 63.5 | 79% | 0.785 | 37% | 0.37 | S | S | * | . | trans | -104.6 | 137.7 | 179.9 | -64.3 | -163.7 | -0.2 | 0 | 0 | 112.1 | G457 | G457-Q459 VanDerWaalsContact C-N 3.33Å; G457-Q459 PolarHBondContact O-N 3.03Å | ||
| 460 | K | 57.6 | Low | 72.6 | Confident | 181 Ų | 181 | 66.7 Ų | 66.7 | 79% | 0.787 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -87.9 | 162.5 | -176.3 | -95.3 | -173.7 | 176.4 | -177 | 0 | 112.1 | ||
| 461 | P | 57.6 | Low | 72.1 | Confident | 114 Ų | 114 | 68.1 Ų | 68.1 | 74% | 0.74 | 40% | 0.403 | S | S | * | . | S | Bend | cis | -76.3 | 170.8 | 5.5 | 32.5 | -37.1 | 0 | 0 | 0 | 114 | ||
| 462 | L | 62 | Low | 71.9 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 150.9 | 165.3 | -99 | 69 | 0 | 0 | 0 | 110 | Y453 T464 E477 | Y453-L462 HydrophobicContact CE2-CD2 4.39Å; Y453-L462 HydrophobicContact CE2-CG 4.17Å; L462-T464 PolarHBondContact O-N 2.93Å; L462-E477 VanDerWaalsContact CD2-CD 3.44Å; L462-E477 HydrophobicContact CD2-CG 3.83Å |
| 463 | P | 64.8 | Low | 71.9 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 13% | 0.13 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 137.7 | 169.7 | -23.1 | 33.3 | 0 | 0 | 0 | 111.2 | F449 T452 Y453 V465 | F449-P463 HydrophobicContact CD2-CB 4.09Å; F449-P463 HydrophobicContact CE2-CB 3.99Å; T452-P463 HydrophobicContact CG2-CB 3.85Å; T452-P463 HydrophobicContact CG2-CG 3.91Å; Y453-P463 HydrophobicContact CD2-CG 4.26Å; P463-V465 PolarHBondContact O-N 2.98Å |
| 464 | T | 70.8 | Confident | 71.9 | Confident | 136 Ų | 136 | 69.3 Ų | 69.3 | 83% | 0.834 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 121.7 | 174 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | L462 | L462-T464 PolarHBondContact O-N 2.93Š|
| 465 | V | 72.5 | Confident | 72.1 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 127.1 | 179.2 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | F449 P463 L469 Q473 | F449-V465 HydrophobicContact CD2-CG2 4.43Å; F449-V465 HydrophobicContact CE2-CG2 3.78Å; F449-V465 HydrophobicContact CZ-CG2 4.29Å; P463-V465 PolarHBondContact O-N 2.98Å; V465-L469 HydrophobicContact CG1-CB 3.61Å; V465-Q473 HydrophobicContact CG2-CB 4.16Å; V465-Q473 HydrophobicContact CG2-CG 3.73Å |
| 466 | P | 72.7 | Confident | 72.4 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 21% | 0.214 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -58 | 143.1 | 178.3 | -26.8 | 35.1 | 0 | 0 | 0 | 112.7 | R445 F449 G468 L469 | R445-P466 HydrophobicContact CB-CB 3.87Å; R445-P466 HydrophobicContact CB-CG 4.2Å; R445-P466 HydrophobicContact CG-CB 3.89Å; F449-P466 HydrophobicContact CB-CG 4.4Å; P466-G468 PolarHBondContact O-N 3.5Å; P466-L469 HydrophobicContact CB-CD1 4.34Å; P466-L469 HydrophobicContact CG-CD1 4.46Å; P466-L469 WeakPolarHBondContact O-CB 3.34Å; P466-L469 PolarHBondContact O-N 3.04Å; P466-L469 VanDerWaalsContact O-N 3.09Å |
| 467 | G | 67.5 | Low | 73.1 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 52% | 0.515 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 137 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R445 | R445-G467 PolarHBondContact NH1-O 3.32Š|
| 468 | G | 69.2 | Low | 74.3 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -22.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P466 P471 | P466-G468 PolarHBondContact O-N 3.5Å; G468-P471 WeakPolarHBondContact O-CD 3.27Å |
| 469 | L | 77.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -89.4 | -5.9 | 175.9 | -65 | 172.7 | 0 | 0 | 0 | 113.5 | M442 R445 I446 V465 P466 P471 V472 Q473 L476 | M442-L469 HydrophobicContact SD-CD2 3.75Å; M442-L469 HydrophobicContact SD-CG 4.34Å; R445-L469 HydrophobicContact CB-CD1 3.7Å; I446-L469 HydrophobicContact CD1-CD2 4.1Å; I446-L469 HydrophobicContact CG1-CD1 3.72Å; I446-L469 HydrophobicContact CG1-CD2 3.89Å; I446-L469 HydrophobicContact CG1-CG 4.49Å; V465-L469 HydrophobicContact CG1-CB 3.61Å; P466-L469 HydrophobicContact CB-CD1 4.34Å; P466-L469 HydrophobicContact CG-CD1 4.46Å; P466-L469 WeakPolarHBondContact O-CB 3.34Å; P466-L469 PolarHBondContact O-N 3.04Å; P466-L469 VanDerWaalsContact O-N 3.09Å; L469-P471 VanDerWaalsContact C-N 3.34Å; L469-V472 HydrophobicContact CB-CG2 4.25Å; L469-V472 HydrophobicContact CD2-CG2 3.98Å; L469-V472 CarbonylContact O-C 3.4Å; L469-V472 WeakPolarHBondContact O-CG2 3.39Å; L469-V472 PolarHBondContact O-N 3.22Å; L469-Q473 PolarHBondContact O-N 3.09Å; L469-Q473 VanDerWaalsContact O-N 3.1Å; L469-L476 HydrophobicContact CB-CD2 4.46Å; L469-L476 HydrophobicContact CD1-CD2 4.04Å | ||
| 470 | S | 80.7 | Confident | 78.2 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 49% | 0.49 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -51.2 | -39.3 | 179.4 | -42.3 | 0 | 0 | 0 | 0 | 114.9 | V472 Q473 | S470-V472 PolarHBondContact O-N 2.66Å; S470-Q473 WeakPolarHBondContact O-CB 3.19Å; S470-Q473 PolarHBondContact O-N 3.43Å |
| 471 | P | 81.3 | Confident | 79.7 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 20% | 0.201 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -65.5 | -20.3 | 176.2 | -22.4 | 35.3 | 0 | 0 | 0 | 114.7 | L350 F354 K372 G468 L469 | L350-P471 HydrophobicContact CD1-CB 4.05Å; F354-P471 HydrophobicContact CD2-CG 4.03Å; F354-P471 HydrophobicContact CE2-CB 4.11Å; F354-P471 HydrophobicContact CE2-CG 3.58Å; K372-P471 WeakPolarHBondContact CD-O 3.31Å; K372-P471 WeakPolarHBondContact CE-O 3.13Å; K372-P471 PolarHBondContact NZ-O 2.96Å; G468-P471 WeakPolarHBondContact O-CD 3.27Å; L469-P471 VanDerWaalsContact C-N 3.34Å |
| 472 | V | 85.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -114.4 | 16.4 | 179.7 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | L343 L346 L350 K372 L469 S470 R474 E475 L476 | L343-V472 HydrophobicContact CD2-CB 4.07Å; L343-V472 HydrophobicContact CD2-CG2 4.21Å; L346-V472 HydrophobicContact CD2-CG1 3.77Å; L346-V472 HydrophobicContact CG-CG1 3.86Å; L350-V472 HydrophobicContact CD1-CG1 3.87Å; K372-V472 HydrophobicContact CD-CG1 4.19Å; L469-V472 HydrophobicContact CB-CG2 4.25Å; L469-V472 HydrophobicContact CD2-CG2 3.98Å; L469-V472 CarbonylContact O-C 3.4Å; L469-V472 WeakPolarHBondContact O-CG2 3.39Å; L469-V472 PolarHBondContact O-N 3.22Å; S470-V472 PolarHBondContact O-N 2.66Å; V472-R474 PolarHBondContact O-N 3.47Å; V472-E475 WeakPolarHBondContact CA-OE2 3.33Å; V472-E475 PolarHBondContact O-N 3.23Å; V472-L476 WeakPolarHBondContact O-CB 3.29Å; V472-L476 PolarHBondContact O-N 3.34Å |
| 473 | Q | 87.2 | Confident | 82.8 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.9 | -46.6 | -176.6 | 164.5 | 162.6 | 6.3 | 0 | 0 | 112.5 | V465 L469 S470 L476 E477 | V465-Q473 HydrophobicContact CG2-CB 4.16Å; V465-Q473 HydrophobicContact CG2-CG 3.73Å; L469-Q473 PolarHBondContact O-N 3.09Å; L469-Q473 VanDerWaalsContact O-N 3.1Å; S470-Q473 WeakPolarHBondContact O-CB 3.19Å; S470-Q473 PolarHBondContact O-N 3.43Å; Q473-L476 PolarHBondContact O-N 2.72Å; Q473-E477 HydrophobicContact CG-CG 4.38Å; Q473-E477 VanDerWaalsContact CG-OE1 3.27Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.46Å; Q473-E477 PolarHBondContact NE2-OE1 3.5Å; Q473-E477 WeakPolarHBondContact O-CB 3.36Å; Q473-E477 WeakPolarHBondContact O-CG 3.41Å; Q473-E477 PolarHBondContact O-N 3.24Å |
| 474 | R | 87.7 | Confident | 84.1 | Confident | 120 Ų | 120 | 42.1 Ų | 42.1 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59 | -50.8 | -179.6 | -178.4 | -158.2 | -54.7 | 123.2 | 2.2 | 111 | E369 K372 V472 L476 E477 E478 | E369-R474 IonicContact OE1-CZ 2.75Å; E369-R474 IonicContact OE1-NH1 3.2Å; E369-R474 PolarHBondContact OE1-NH1 2.92Å; E369-R474 IonicContact OE1-NH2 2.72Å; E369-R474 PolarHBondContact OE1-NH2 3.35Å; E369-R474 IonicContact OE2-NH1 3.79Å; K372-R474 VanDerWaalsContact NZ-NH1 3.12Å; V472-R474 PolarHBondContact O-N 3.47Å; R474-L476 VanDerWaalsContact C-N 3.31Å; R474-L476 PolarHBondContact O-N 2.73Å; R474-E477 PolarHBondContact O-N 3.07Å; R474-E478 WeakPolarHBondContact CG-OE1 3.38Å; R474-E478 WeakPolarHBondContact O-CG 3.45Å; R474-E478 PolarHBondContact O-N 2.88Å |
| 475 | E | 90.8 | Very high | 85 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -34.7 | -178.6 | -62.7 | 77.9 | -171.9 | 0 | 0 | 111.7 | L343 K372 V472 V479 | L343-E475 HydrophobicContact CD1-CB 4.46Å; L343-E475 HydrophobicContact CD2-CB 4.01Å; L343-E475 HydrophobicContact CG-CB 4.49Å; K372-E475 WeakPolarHBondContact CE-OE1 3.27Å; K372-E475 VanDerWaalsContact NZ-CD 3.33Å; K372-E475 IonicContact NZ-OE1 2.73Å; K372-E475 PolarHBondContact NZ-OE1 3.45Å; K372-E475 IonicContact NZ-OE2 2.66Å; K372-E475 PolarHBondContact NZ-OE2 3.42Å; V472-E475 WeakPolarHBondContact CA-OE2 3.33Å; V472-E475 PolarHBondContact O-N 3.23Å; E475-V479 WeakPolarHBondContact O-CG2 2.89Å; E475-V479 PolarHBondContact O-N 2.92Å |
| 476 | L | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.8 | -37.9 | 174.6 | -179.4 | 61 | 0 | 0 | 0 | 112.6 | L343 I446 F449 L469 V472 Q473 R474 V479 A480 | L343-L476 HydrophobicContact CD2-CB 4.04Å; I446-L476 HydrophobicContact CG1-CD1 4.29Å; I446-L476 HydrophobicContact CG2-CD1 3.96Å; F449-L476 HydrophobicContact CB-CD2 4.45Å; F449-L476 HydrophobicContact CD1-CD1 4.05Å; F449-L476 HydrophobicContact CD1-CD2 3.7Å; F449-L476 HydrophobicContact CD1-CG 3.65Å; F449-L476 HydrophobicContact CE1-CD1 4.43Å; F449-L476 HydrophobicContact CE1-CD2 4.03Å; F449-L476 HydrophobicContact CE1-CG 3.71Å; F449-L476 HydrophobicContact CG-CD2 4.01Å; F449-L476 HydrophobicContact CG-CG 4.46Å; L469-L476 HydrophobicContact CB-CD2 4.46Å; L469-L476 HydrophobicContact CD1-CD2 4.04Å; V472-L476 WeakPolarHBondContact O-CB 3.29Å; V472-L476 PolarHBondContact O-N 3.34Å; Q473-L476 PolarHBondContact O-N 2.72Å; R474-L476 VanDerWaalsContact C-N 3.31Å; R474-L476 PolarHBondContact O-N 2.73Å; L476-V479 PolarHBondContact O-N 2.75Å; L476-A480 VanDerWaalsContact O-CB 3.31Å; L476-A480 WeakPolarHBondContact O-CB 3.36Å; L476-A480 PolarHBondContact O-N 3.49Å |
| 477 | E | 90.1 | Very high | 87 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 174.2 | -77.9 | 177.5 | -164.9 | 0 | 0 | 111.7 | F449 L462 Q473 R474 V479 A480 I481 | F449-E477 HydrophobicContact CZ-CG 4.19Å; L462-E477 VanDerWaalsContact CD2-CD 3.44Å; L462-E477 HydrophobicContact CD2-CG 3.83Å; Q473-E477 HydrophobicContact CG-CG 4.38Å; Q473-E477 VanDerWaalsContact CG-OE1 3.27Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.46Å; Q473-E477 PolarHBondContact NE2-OE1 3.5Å; Q473-E477 WeakPolarHBondContact O-CB 3.36Å; Q473-E477 WeakPolarHBondContact O-CG 3.41Å; Q473-E477 PolarHBondContact O-N 3.24Å; R474-E477 PolarHBondContact O-N 3.07Å; E477-V479 PolarHBondContact O-N 3.18Å; E477-A480 PolarHBondContact O-N 3.44Å; E477-I481 WeakPolarHBondContact O-CB 3.41Å; E477-I481 WeakPolarHBondContact O-CD1 3.48Å; E477-I481 WeakPolarHBondContact O-CG1 3.22Å; E477-I481 PolarHBondContact O-N 2.92Å |
| 478 | E | 90.6 | Very high | 88.2 | Confident | 105 Ų | 105 | 41.9 Ų | 41.9 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58 | -47.7 | 174 | -74.7 | 168.2 | -158.4 | 0 | 0 | 111.7 | R474 I481 K482 | R474-E478 WeakPolarHBondContact CG-OE1 3.38Å; R474-E478 WeakPolarHBondContact O-CG 3.45Å; R474-E478 PolarHBondContact O-N 2.88Å; E478-I481 PolarHBondContact O-N 3.26Å; E478-K482 WeakPolarHBondContact O-CG 3.4Å; E478-K482 PolarHBondContact O-N 3.48Å |
| 479 | V | 92.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L336 Q339 L340 L343 E475 L476 E477 I481 K482 F483 | L336-V479 HydrophobicContact CD2-CG1 3.92Å; Q339-V479 HydrophobicContact CB-CG2 4.19Å; L340-V479 HydrophobicContact CD1-CG1 4.36Å; L340-V479 HydrophobicContact CD2-CG1 3.71Å; L340-V479 HydrophobicContact CG-CG1 3.88Å; L343-V479 HydrophobicContact CD1-CG2 3.93Å; E475-V479 WeakPolarHBondContact O-CG2 2.89Å; E475-V479 PolarHBondContact O-N 2.92Å; L476-V479 PolarHBondContact O-N 2.75Å; E477-V479 PolarHBondContact O-N 3.18Å; V479-I481 PolarHBondContact O-N 2.89Å; V479-K482 PolarHBondContact O-N 3.26Å; V479-F483 WeakPolarHBondContact O-CB 3.37Å; V479-F483 PolarHBondContact O-N 3.26Å |
| 480 | A | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F449 L450 Y453 L476 E477 A484 | F449-A480 HydrophobicContact CD1-CB 4.5Å; F449-A480 HydrophobicContact CE1-CB 3.86Å; L450-A480 HydrophobicContact CD2-CB 3.66Å; Y453-A480 HydrophobicContact CD1-CB 4.33Å; Y453-A480 HydrophobicContact CD2-CB 3.96Å; Y453-A480 HydrophobicContact CE2-CB 4.16Å; Y453-A480 HydrophobicContact CG-CB 4.06Å; L476-A480 VanDerWaalsContact O-CB 3.31Å; L476-A480 WeakPolarHBondContact O-CB 3.36Å; L476-A480 PolarHBondContact O-N 3.49Å; E477-A480 PolarHBondContact O-N 3.44Å; A480-A484 WeakPolarHBondContact O-CB 3.4Å; A480-A484 PolarHBondContact O-N 2.85Å |
| 481 | I | 90.1 | Very high | 90.6 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 29% | 0.292 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.3 | -70.7 | 161.4 | 0 | 0 | 0 | 110.9 | Y453 E477 E478 V479 R485 | Y453-I481 VanDerWaalsContact OH-CG1 3.24Å; Y453-I481 WeakPolarHBondContact OH-CG1 3.41Å; E477-I481 WeakPolarHBondContact O-CB 3.41Å; E477-I481 WeakPolarHBondContact O-CD1 3.48Å; E477-I481 WeakPolarHBondContact O-CG1 3.22Å; E477-I481 PolarHBondContact O-N 2.92Å; E478-I481 PolarHBondContact O-N 3.26Å; V479-I481 PolarHBondContact O-N 2.89Å; I481-R485 WeakPolarHBondContact O-CB 3.43Å; I481-R485 VanDerWaalsContact O-CG 3.25Å; I481-R485 WeakPolarHBondContact O-CG 3.35Å; I481-R485 PolarHBondContact O-N 2.7Å |
| 482 | K | 91.3 | Very high | 91.1 | Very high | 86 Ų | 86 | 44.3 Ų | 44.3 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.2 | -55.3 | 175 | -73.5 | -179.3 | 179.9 | -177.5 | 0 | 111 | E335 L336 E478 V479 A484 R485 L486 | E335-K482 IonicContact OE1-NZ 2.95Å; E335-K482 PolarHBondContact OE1-NZ 3.45Å; L336-K482 HydrophobicContact CD2-CB 3.78Å; L336-K482 HydrophobicContact CD2-CD 3.9Å; E478-K482 WeakPolarHBondContact O-CG 3.4Å; E478-K482 PolarHBondContact O-N 3.48Å; V479-K482 PolarHBondContact O-N 3.26Å; K482-A484 PolarHBondContact O-N 3.5Å; K482-R485 PolarHBondContact O-N 3.03Å; K482-L486 WeakPolarHBondContact O-CB 3.46Å; K482-L486 PolarHBondContact O-N 3.21Å; K482-L486 VanDerWaalsContact O-N 3.09Å |
| 483 | F | 93.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | -178 | 175.4 | -117.5 | 0 | 0 | 0 | 112.2 | L310 L313 F333 L336 L450 L454 V479 R485 L486 V487 | L310-F483 HydrophobicContact CD2-CE1 3.69Å; L310-F483 HydrophobicContact CD2-CZ 3.81Å; L310-F483 HydrophobicContact CG-CE1 4.35Å; L310-F483 HydrophobicContact CG-CZ 4.15Å; L313-F483 HydrophobicContact CD1-CD1 4.44Å; L313-F483 HydrophobicContact CD1-CD2 3.85Å; L313-F483 HydrophobicContact CD1-CE1 4.11Å; L313-F483 HydrophobicContact CD1-CE2 3.47Å; L313-F483 VanDerWaalsContact CD1-CE2 3.47Å; L313-F483 HydrophobicContact CD1-CG 4.32Å; L313-F483 HydrophobicContact CD1-CZ 3.62Å; L313-F483 HydrophobicContact CD2-CD2 4.11Å; L313-F483 HydrophobicContact CD2-CE2 4.12Å; L313-F483 HydrophobicContact CG-CD2 4.29Å; L313-F483 HydrophobicContact CG-CE2 3.86Å; L313-F483 HydrophobicContact CG-CZ 4.38Å; F333-F483 HydrophobicContact CE1-CD2 4.08Å; F333-F483 AromaticContact CE1-CE2 3.93Å; F333-F483 HydrophobicContact CE1-CE2 3.93Å; L336-F483 HydrophobicContact CD1-CB 4.14Å; L336-F483 HydrophobicContact CD1-CD2 4.34Å; L450-F483 HydrophobicContact CB-CD1 4.35Å; L450-F483 HydrophobicContact CB-CE1 4.18Å; L450-F483 HydrophobicContact CD2-CD1 4.12Å; L454-F483 HydrophobicContact CD1-CD1 4.38Å; L454-F483 HydrophobicContact CD1-CE1 3.46Å; L454-F483 VanDerWaalsContact CD1-CE1 3.46Å; L454-F483 HydrophobicContact CD1-CZ 3.85Å; L454-F483 HydrophobicContact CD2-CD1 4.26Å; L454-F483 HydrophobicContact CD2-CE1 4.13Å; L454-F483 HydrophobicContact CG-CD1 4.27Å; L454-F483 HydrophobicContact CG-CE1 3.77Å; V479-F483 WeakPolarHBondContact O-CB 3.37Å; V479-F483 PolarHBondContact O-N 3.26Å; F483-R485 PolarHBondContact O-N 2.99Å; F483-L486 WeakPolarHBondContact O-CB 3.29Å; F483-L486 PolarHBondContact O-N 3.46Å; F483-V487 HydrophobicContact CD2-CG2 3.87Å; F483-V487 HydrophobicContact CE1-CG2 4.47Å; F483-V487 HydrophobicContact CE2-CG2 3.63Å; F483-V487 HydrophobicContact CG-CG2 4.39Å; F483-V487 HydrophobicContact CZ-CG2 3.97Å; F483-V487 WeakPolarHBondContact O-CB 3.35Å; F483-V487 VanDerWaalsContact O-CG2 3.27Å; F483-V487 WeakPolarHBondContact O-CG2 3.33Å; F483-V487 PolarHBondContact O-N 2.93Å |
| 484 | A | 91.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y453 L454 A480 K482 N488 | Y453-A484 HydrophobicContact CD1-CB 3.75Å; Y453-A484 HydrophobicContact CE1-CB 3.62Å; L454-A484 HydrophobicContact CD2-CB 4.04Å; A480-A484 WeakPolarHBondContact O-CB 3.4Å; A480-A484 PolarHBondContact O-N 2.85Å; K482-A484 PolarHBondContact O-N 3.5Å; A484-N488 WeakPolarHBondContact O-CB 3.29Å; A484-N488 PolarHBondContact O-N 3.47Å; A484-N488 PolarHBondContact O-ND2 3.42Å; A484-N488 VanDerWaalsContact O-ND2 3.07Å |
| 485 | R | 90.3 | Very high | 92 | Very high | 180 Ų | 180 | 37.3 Ų | 37.3 | 68% | 0.679 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -60.5 | -48.8 | 172.7 | -74.8 | 171.8 | -178.2 | -177.6 | 3.1 | 111.1 | I481 K482 F483 N488 Y489 | I481-R485 WeakPolarHBondContact O-CB 3.43Å; I481-R485 VanDerWaalsContact O-CG 3.25Å; I481-R485 WeakPolarHBondContact O-CG 3.35Å; I481-R485 PolarHBondContact O-N 2.7Å; K482-R485 PolarHBondContact O-N 3.03Å; F483-R485 PolarHBondContact O-N 2.99Å; R485-N488 PolarHBondContact O-N 2.95Å; R485-Y489 WeakPolarHBondContact O-CB 3.33Å; R485-Y489 PolarHBondContact O-N 2.73Å |
| 486 | L | 93.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.9 | -54.7 | 180 | -162.2 | 63.6 | 0 | 0 | 0 | 111.4 | V84 D329 R332 F333 L336 K482 F483 N488 N490 | V84-L486 HydrophobicContact CG1-CD1 3.85Å; D329-L486 HydrophobicContact CB-CD1 4.09Å; D329-L486 HydrophobicContact CB-CG 4.47Å; D329-L486 VanDerWaalsContact CG-CD1 3.47Å; D329-L486 WeakPolarHBondContact OD1-CD1 3.21Å; R332-L486 HydrophobicContact CB-CD1 4.44Å; R332-L486 HydrophobicContact CB-CD2 3.87Å; F333-L486 HydrophobicContact CD1-CD2 4.27Å; F333-L486 HydrophobicContact CD2-CD2 3.78Å; F333-L486 HydrophobicContact CE1-CD2 3.96Å; F333-L486 HydrophobicContact CE2-CD2 3.42Å; F333-L486 VanDerWaalsContact CE2-CD2 3.42Å; F333-L486 HydrophobicContact CE2-CG 3.8Å; F333-L486 HydrophobicContact CG-CD2 4.18Å; F333-L486 HydrophobicContact CZ-CD2 3.53Å; F333-L486 HydrophobicContact CZ-CG 3.86Å; L336-L486 HydrophobicContact CD1-CD2 3.89Å; K482-L486 WeakPolarHBondContact O-CB 3.46Å; K482-L486 PolarHBondContact O-N 3.21Å; K482-L486 VanDerWaalsContact O-N 3.09Å; F483-L486 WeakPolarHBondContact O-CB 3.29Å; F483-L486 PolarHBondContact O-N 3.46Å; L486-N488 PolarHBondContact O-N 3.27Å; L486-N490 VanDerWaalsContact O-CB 3.23Å; L486-N490 WeakPolarHBondContact O-CB 3.4Å; L486-N490 PolarHBondContact O-N 2.89Å |
| 487 | V | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 179.6 | 170.1 | 0 | 0 | 0 | 0 | 112 | Y309 F333 L454 F483 K491 | Y309-V487 HydrophobicContact CD1-CB 4.45Å; Y309-V487 HydrophobicContact CD1-CG1 4.29Å; Y309-V487 HydrophobicContact CD1-CG2 3.71Å; Y309-V487 HydrophobicContact CD2-CG1 3.55Å; Y309-V487 HydrophobicContact CD2-CG2 4.33Å; Y309-V487 HydrophobicContact CE1-CG2 4.34Å; Y309-V487 HydrophobicContact CE2-CG1 3.84Å; Y309-V487 HydrophobicContact CG-CB 4.35Å; Y309-V487 HydrophobicContact CG-CG1 3.81Å; Y309-V487 HydrophobicContact CG-CG2 3.71Å; F333-V487 HydrophobicContact CE1-CG2 4.45Å; F333-V487 HydrophobicContact CZ-CG2 4.39Å; L454-V487 HydrophobicContact CD1-CG1 4.2Å; L454-V487 HydrophobicContact CD2-CB 3.96Å; L454-V487 HydrophobicContact CD2-CG1 3.84Å; L454-V487 HydrophobicContact CD2-CG2 4.37Å; F483-V487 HydrophobicContact CD2-CG2 3.87Å; F483-V487 HydrophobicContact CE1-CG2 4.47Å; F483-V487 HydrophobicContact CE2-CG2 3.63Å; F483-V487 HydrophobicContact CG-CG2 4.39Å; F483-V487 HydrophobicContact CZ-CG2 3.97Å; F483-V487 WeakPolarHBondContact O-CB 3.35Å; F483-V487 VanDerWaalsContact O-CG2 3.27Å; F483-V487 WeakPolarHBondContact O-CG2 3.33Å; F483-V487 PolarHBondContact O-N 2.93Å; V487-K491 HydrophobicContact CG1-CD 4.03Å; V487-K491 WeakPolarHBondContact O-CB 3.38Å; V487-K491 VanDerWaalsContact O-CG 3.26Å; V487-K491 WeakPolarHBondContact O-CG 3.48Å; V487-K491 PolarHBondContact O-N 3.37Å |
| 488 | N | 91.6 | Very high | 92.3 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.8 | -39.9 | -177.6 | -70.5 | -27.2 | 0 | 0 | 0 | 112.3 | A484 R485 L486 K491 M492 | A484-N488 WeakPolarHBondContact O-CB 3.29Å; A484-N488 PolarHBondContact O-N 3.47Å; A484-N488 PolarHBondContact O-ND2 3.42Å; A484-N488 VanDerWaalsContact O-ND2 3.07Å; R485-N488 PolarHBondContact O-N 2.95Å; L486-N488 PolarHBondContact O-N 3.27Å; N488-K491 PolarHBondContact O-N 3.02Å; N488-M492 WeakPolarHBondContact O-CG 3.02Å; N488-M492 PolarHBondContact O-N 3.43Å |
| 489 | Y | 92.2 | Very high | 92.3 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 11% | 0.106 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 173.9 | -179.1 | -93.8 | 0 | 0 | 0 | 111 | H80 V83 V84 S242 V243 E246 R485 K491 M492 V493 | H80-Y489 AromaticContact ND1-CE1 3.67Å; V83-Y489 HydrophobicContact CG1-CD2 4.2Å; V83-Y489 HydrophobicContact CG1-CE2 3.59Å; V84-Y489 HydrophobicContact CG2-CD1 3.53Å; V84-Y489 HydrophobicContact CG2-CE1 3.78Å; V84-Y489 HydrophobicContact CG2-CG 3.99Å; S242-Y489 WeakPolarHBondContact CB-OH 3.41Å; S242-Y489 PolarHBondContact OG-OH 2.95Å; V243-Y489 HydrophobicContact CG2-CE2 4.05Å; E246-Y489 VanDerWaalsContact OE2-CE1 3.23Å; E246-Y489 WeakPolarHBondContact OE2-CE1 3.46Å; E246-Y489 PolarHBondContact OE2-OH 3.24Å; R485-Y489 WeakPolarHBondContact O-CB 3.33Å; R485-Y489 PolarHBondContact O-N 2.73Å; Y489-K491 VanDerWaalsContact C-N 3.32Å; Y489-K491 PolarHBondContact O-N 3.18Å; Y489-M492 WeakPolarHBondContact O-CB 3.47Å; Y489-M492 PolarHBondContact O-N 3.01Å; Y489-V493 HydrophobicContact CD1-CG2 4.25Å; Y489-V493 HydrophobicContact CE1-CG2 3.7Å; Y489-V493 PolarHBondContact O-N 3.38Å; Y489-V493 VanDerWaalsContact O-N 3.08Å |
| 490 | N | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -43 | 177.9 | -168.3 | -83.3 | 0 | 0 | 0 | 111.7 | Y309 T325 L486 M492 V493 F494 Y498 | Y309-N490 PolarHBondContact OH-OD1 3.14Å; T325-N490 PolarHBondContact O-ND2 3.32Å; L486-N490 VanDerWaalsContact O-CB 3.23Å; L486-N490 WeakPolarHBondContact O-CB 3.4Å; L486-N490 PolarHBondContact O-N 2.89Å; N490-M492 PolarHBondContact O-N 3.37Å; N490-V493 PolarHBondContact O-N 2.76Å; N490-F494 WeakPolarHBondContact O-CD2 3.38Å; N490-F494 PolarHBondContact O-N 2.93Å; N490-Y498 PolarHBondContact OD1-OH 3.15Å |
| 491 | K | 92.5 | Very high | 92.1 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 171.4 | -76.4 | 171.8 | 177.5 | 177 | 0 | 113.3 | N306 Y309 V487 N488 Y489 V493 F494 C495 | N306-K491 PolarHBondContact OD1-NZ 3.25Å; Y309-K491 HydrophobicContact CE2-CD 4.28Å; Y309-K491 HydrophobicContact CE2-CG 3.87Å; V487-K491 HydrophobicContact CG1-CD 4.03Å; V487-K491 WeakPolarHBondContact O-CB 3.38Å; V487-K491 VanDerWaalsContact O-CG 3.26Å; V487-K491 WeakPolarHBondContact O-CG 3.48Å; V487-K491 PolarHBondContact O-N 3.37Å; N488-K491 PolarHBondContact O-N 3.02Å; Y489-K491 VanDerWaalsContact C-N 3.32Å; Y489-K491 PolarHBondContact O-N 3.18Å; K491-V493 VanDerWaalsContact C-N 3.3Å; K491-V493 PolarHBondContact O-N 3.49Å; K491-F494 PolarHBondContact O-N 2.91Å; K491-C495 WeakPolarHBondContact O-CA 3.42Å; K491-C495 WeakPolarHBondContact O-CB 3.41Å; K491-C495 PolarHBondContact O-N 3.13Å |
| 492 | M | 91.4 | Very high | 92.1 | Very high | 117 Ų | 117 | 36.6 Ų | 36.6 | 58% | 0.576 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61 | -40.2 | 178 | -73.7 | 174.4 | 70.3 | 0 | 0 | 111.7 | V243 R247 N488 Y489 N490 | V243-M492 HydrophobicContact CG1-CB 4.36Å; V243-M492 WeakPolarHBondContact CG1-O 3.33Å; V243-M492 HydrophobicContact CG2-CB 4.12Å; V243-M492 HydrophobicContact CG2-CE 4.34Å; R247-M492 PolarHBondContact NH2-O 3.31Å; N488-M492 WeakPolarHBondContact O-CG 3.02Å; N488-M492 PolarHBondContact O-N 3.43Å; Y489-M492 WeakPolarHBondContact O-CB 3.47Å; Y489-M492 PolarHBondContact O-N 3.01Å; N490-M492 PolarHBondContact O-N 3.37Å |
| 493 | V | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.9 | -56.4 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 111 | V243 E246 R247 Y489 N490 K491 | V243-V493 HydrophobicContact CG2-CG2 4.43Å; E246-V493 HydrophobicContact CB-CG1 4Å; E246-V493 HydrophobicContact CB-CG2 4.38Å; E246-V493 HydrophobicContact CG-CG1 3.89Å; E246-V493 HydrophobicContact CG-CG2 4.4Å; R247-V493 HydrophobicContact CB-CG1 4.17Å; R247-V493 PolarHBondContact NE-O 2.86Å; Y489-V493 HydrophobicContact CD1-CG2 4.25Å; Y489-V493 HydrophobicContact CE1-CG2 3.7Å; Y489-V493 PolarHBondContact O-N 3.38Å; Y489-V493 VanDerWaalsContact O-N 3.08Å; N490-V493 PolarHBondContact O-N 2.76Å; K491-V493 VanDerWaalsContact C-N 3.3Å; K491-V493 PolarHBondContact O-N 3.49Å |
| 494 | F | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -100.5 | -1 | -161.3 | -58.2 | -67 | 0 | 0 | 0 | 116.4 | F250 T325 N490 K491 P496 Y497 Y498 | F250-F494 HydrophobicContact CB-CE1 3.95Å; F250-F494 HydrophobicContact CD1-CD1 4.32Å; F250-F494 HydrophobicContact CD1-CE1 4.06Å; F250-F494 AromaticContact CD2-CE1 3.61Å; F250-F494 HydrophobicContact CD2-CE1 3.61Å; F250-F494 HydrophobicContact CD2-CZ 4.25Å; F250-F494 HydrophobicContact CE1-CE1 4.48Å; F250-F494 HydrophobicContact CE2-CE1 4.07Å; F250-F494 HydrophobicContact CG-CD1 4.3Å; F250-F494 AromaticContact CG-CE1 3.6Å; F250-F494 HydrophobicContact CG-CE1 3.6Å; F250-F494 HydrophobicContact CZ-CE1 4.48Å; T325-F494 HydrophobicContact CG2-CB 3.96Å; T325-F494 HydrophobicContact CG2-CD1 3.58Å; T325-F494 HydrophobicContact CG2-CD2 4.17Å; T325-F494 HydrophobicContact CG2-CE1 4.12Å; T325-F494 HydrophobicContact CG2-CG 3.62Å; T325-F494 WeakPolarHBondContact O-CE2 3.4Å; N490-F494 WeakPolarHBondContact O-CD2 3.38Å; N490-F494 PolarHBondContact O-N 2.93Å; K491-F494 PolarHBondContact O-N 2.91Å; F494-P496 VanDerWaalsContact C-CD 3.43Å; F494-P496 VanDerWaalsContact C-N 3.33Å; F494-P496 VanDerWaalsContact O-N 3.14Å; F494-Y497 HydrophobicContact CB-CD2 4.11Å; F494-Y497 AromaticContact CD1-CD2 3.88Å; F494-Y497 HydrophobicContact CD1-CD2 3.88Å; F494-Y497 AromaticContact CD1-CE2 3.9Å; F494-Y497 HydrophobicContact CD1-CE2 3.9Å; F494-Y497 WeakPolarHBondContact O-CD2 3.16Å; F494-Y497 PolarHBondContact O-N 3.41Å; F494-Y498 HydrophobicContact CB-CD2 4.19Å; F494-Y498 HydrophobicContact CB-CE1 4.26Å; F494-Y498 HydrophobicContact CB-CE2 3.61Å; F494-Y498 PolarHBondContact O-N 3.32Å |
| 495 | C | 92.3 | Very high | 91.4 | Very high | 49 Ų | 49 | 42 Ų | 42 | 33% | 0.331 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -39.3 | -49.1 | 175.9 | 154.4 | 0 | 0 | 0 | 0 | 114.8 | K491 Y497 Y498 D499 | K491-C495 WeakPolarHBondContact O-CA 3.42Å; K491-C495 WeakPolarHBondContact O-CB 3.41Å; K491-C495 PolarHBondContact O-N 3.13Å; C495-Y497 VanDerWaalsContact C-N 3.27Å; C495-Y497 PolarHBondContact O-N 3.44Å; C495-Y498 PolarHBondContact O-N 3.11Å; C495-Y498 VanDerWaalsContact O-N 3.14Å; C495-D499 PolarHBondContact O-N 3.25Å; C495-D499 PolarHBondContact SG-OD2 3.14Å; C495-D499 VanDerWaalsContact SG-OD2 3.36Å |
| 496 | P | 91.6 | Very high | 91 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.8 | -33.5 | 179.9 | -26.7 | 36.5 | 0 | 0 | 0 | 114.6 | F494 A500 | F494-P496 VanDerWaalsContact C-CD 3.43Å; F494-P496 VanDerWaalsContact C-N 3.33Å; F494-P496 VanDerWaalsContact O-N 3.14Å; P496-A500 VanDerWaalsContact O-CB 3.32Å; P496-A500 WeakPolarHBondContact O-CB 3.38Å; P496-A500 PolarHBondContact O-N 3.46Å |
| 497 | Y | 92.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -77.1 | -42.7 | 176.9 | -48.1 | -74.3 | 0 | 0 | 0 | 110.9 | R247 F250 Q251 L254 L261 F494 C495 D499 A500 I501 | R247-Y497 HydrophobicContact CG-CE2 4.24Å; R247-Y497 PolarHBondContact O-OH 3.43Å; F250-Y497 HydrophobicContact CD1-CD2 4.4Å; F250-Y497 HydrophobicContact CD1-CE1 4.33Å; F250-Y497 AromaticContact CD1-CE2 3.77Å; F250-Y497 HydrophobicContact CD1-CE2 3.77Å; F250-Y497 AromaticContact CD1-CZ 3.73Å; F250-Y497 HydrophobicContact CE1-CD2 4.43Å; F250-Y497 HydrophobicContact CE1-CE2 4.23Å; Q251-Y497 PolarHBondContact OE1-OH 2.92Å; L254-Y497 HydrophobicContact CD2-CD1 4.11Å; L254-Y497 HydrophobicContact CD2-CE1 3.74Å; L261-Y497 HydrophobicContact CD1-CD1 4.33Å; F494-Y497 HydrophobicContact CB-CD2 4.11Å; F494-Y497 AromaticContact CD1-CD2 3.88Å; F494-Y497 HydrophobicContact CD1-CD2 3.88Å; F494-Y497 AromaticContact CD1-CE2 3.9Å; F494-Y497 HydrophobicContact CD1-CE2 3.9Å; F494-Y497 WeakPolarHBondContact O-CD2 3.16Å; F494-Y497 PolarHBondContact O-N 3.41Å; C495-Y497 VanDerWaalsContact C-N 3.27Å; C495-Y497 PolarHBondContact O-N 3.44Å; Y497-D499 PolarHBondContact O-N 2.92Å; Y497-A500 PolarHBondContact O-N 3.11Å; Y497-I501 WeakPolarHBondContact O-CG1 3.43Å; Y497-I501 PolarHBondContact O-N 2.93Å; Y497-I501 VanDerWaalsContact O-N 3.1Å |
| 498 | Y | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.8 | -60.4 | -33.4 | 0 | 0 | 0 | 112 | V264 W267 L268 Y309 T325 N490 F494 C495 I501 L502 | V264-Y498 HydrophobicContact CG1-CD1 3.89Å; V264-Y498 HydrophobicContact CG1-CE1 3.81Å; W267-Y498 HydrophobicContact CZ3-CE1 4.07Å; L268-Y498 HydrophobicContact CD1-CD1 3.99Å; Y309-Y498 VanDerWaalsContact OH-CE2 3.27Å; Y309-Y498 WeakPolarHBondContact OH-CE2 3.22Å; Y309-Y498 PolarHBondContact OH-OH 3.47Å; T325-Y498 VanDerWaalsContact CB-OH 3.24Å; T325-Y498 WeakPolarHBondContact CB-OH 3.38Å; T325-Y498 HydrophobicContact CG2-CE1 4.09Å; T325-Y498 WeakPolarHBondContact OG1-CE1 3.17Å; T325-Y498 PolarHBondContact OG1-OH 2.68Å; N490-Y498 PolarHBondContact OD1-OH 3.15Å; F494-Y498 HydrophobicContact CB-CD2 4.19Å; F494-Y498 HydrophobicContact CB-CE1 4.26Å; F494-Y498 HydrophobicContact CB-CE2 3.61Å; F494-Y498 PolarHBondContact O-N 3.32Å; C495-Y498 PolarHBondContact O-N 3.11Å; C495-Y498 VanDerWaalsContact O-N 3.14Å; Y498-I501 PolarHBondContact O-N 3.33Å; Y498-L502 WeakPolarHBondContact O-CB 3.05Å; Y498-L502 WeakPolarHBondContact O-CD1 3.3Å; Y498-L502 VanDerWaalsContact O-CG 3.27Å; Y498-L502 WeakPolarHBondContact O-CG 3.43Å; Y498-L502 PolarHBondContact O-N 3.19Å |
| 499 | D | 91.4 | Very high | 86.5 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | 178.7 | -68.3 | -16.3 | 0 | 0 | 0 | 111.6 | C495 Y497 I501 S503 | C495-D499 PolarHBondContact O-N 3.25Å; C495-D499 PolarHBondContact SG-OD2 3.14Å; C495-D499 VanDerWaalsContact SG-OD2 3.36Å; Y497-D499 PolarHBondContact O-N 2.92Å; D499-I501 PolarHBondContact O-N 3.06Å; D499-S503 WeakPolarHBondContact O-CB 3.41Å; D499-S503 PolarHBondContact O-N 2.83Å; D499-S503 PolarHBondContact O-OG 3.28Å |
| 500 | A | 90.8 | Very high | 86.2 | Confident | 45 Ų | 45 | 52.9 Ų | 52.9 | 37% | 0.372 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.4 | -13.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P496 Y497 K504 | P496-A500 VanDerWaalsContact O-CB 3.32Å; P496-A500 WeakPolarHBondContact O-CB 3.38Å; P496-A500 PolarHBondContact O-N 3.46Å; Y497-A500 PolarHBondContact O-N 3.11Å; A500-K504 WeakPolarHBondContact O-CD 3.42Å; A500-K504 WeakPolarHBondContact O-CE 3.4Å; A500-K504 PolarHBondContact O-NZ 3.41Å |
| 501 | I | 90 | Very high | 85.8 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -95.8 | -53.9 | 172.3 | -71 | 168.4 | 0 | 0 | 0 | 109.6 | V264 T265 L268 Y497 Y498 D499 S503 K504 I505 | V264-I501 HydrophobicContact CB-CD1 4.32Å; V264-I501 HydrophobicContact CG1-CD1 3.58Å; T265-I501 HydrophobicContact CG2-CG2 4.35Å; L268-I501 HydrophobicContact CB-CG2 4.38Å; L268-I501 HydrophobicContact CD1-CB 4.39Å; L268-I501 HydrophobicContact CD1-CG2 3.91Å; Y497-I501 WeakPolarHBondContact O-CG1 3.43Å; Y497-I501 PolarHBondContact O-N 2.93Å; Y497-I501 VanDerWaalsContact O-N 3.1Å; Y498-I501 PolarHBondContact O-N 3.33Å; D499-I501 PolarHBondContact O-N 3.06Å; I501-S503 VanDerWaalsContact C-N 3.29Å; I501-S503 PolarHBondContact O-N 2.87Å; I501-K504 WeakPolarHBondContact O-CA 3.48Å; I501-K504 WeakPolarHBondContact O-CB 3.28Å; I501-K504 PolarHBondContact O-N 3.06Å; I501-I505 HydrophobicContact CG2-CD1 3.66Å; I501-I505 HydrophobicContact CG2-CG1 4.34Å; I501-I505 WeakPolarHBondContact O-CG1 3.33Å; I501-I505 PolarHBondContact O-N 3.48Å; I501-I505 VanDerWaalsContact O-N 3.14Å |
| 502 | L | 89.9 | Confident | 85.4 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -34 | -178 | -69.9 | 161.4 | 0 | 0 | 0 | 112.9 | L268 P301 V304 Q305 Y498 K504 I505 L506 | L268-L502 HydrophobicContact CB-CD2 4.28Å; L268-L502 HydrophobicContact CD1-CD2 4.45Å; L268-L502 HydrophobicContact CD1-CG 4.24Å; L268-L502 HydrophobicContact CD2-CD2 4.41Å; P301-L502 HydrophobicContact CB-CB 4.47Å; P301-L502 HydrophobicContact CB-CD1 4.11Å; V304-L502 HydrophobicContact CB-CD2 3.95Å; V304-L502 HydrophobicContact CG1-CD2 3.66Å; Q305-L502 HydrophobicContact CG-CD1 3.62Å; Q305-L502 VanDerWaalsContact NE2-CD1 3.32Å; Y498-L502 WeakPolarHBondContact O-CB 3.05Å; Y498-L502 WeakPolarHBondContact O-CD1 3.3Å; Y498-L502 VanDerWaalsContact O-CG 3.27Å; Y498-L502 WeakPolarHBondContact O-CG 3.43Å; Y498-L502 PolarHBondContact O-N 3.19Å; L502-K504 PolarHBondContact O-N 2.67Å; L502-I505 HydrophobicContact CD2-CD1 4.4Å; L502-I505 PolarHBondContact O-N 3.14Å; L502-L506 HydrophobicContact CB-CD1 4.32Å; L502-L506 VanDerWaalsContact O-CB 3.28Å; L502-L506 WeakPolarHBondContact O-CB 3.3Å; L502-L506 WeakPolarHBondContact O-CG 3.49Å; L502-L506 PolarHBondContact O-N 2.97Å |
| 503 | S | 88.8 | Confident | 85 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -23.8 | 172.4 | 53.5 | 0 | 0 | 0 | 0 | 114 | D499 I501 V507 | D499-S503 WeakPolarHBondContact O-CB 3.41Å; D499-S503 PolarHBondContact O-N 2.83Å; D499-S503 PolarHBondContact O-OG 3.28Å; I501-S503 VanDerWaalsContact C-N 3.29Å; I501-S503 PolarHBondContact O-N 2.87Å; S503-V507 WeakPolarHBondContact O-CB 3.48Å; S503-V507 WeakPolarHBondContact O-CG2 3.48Å |
| 504 | K | 87.7 | Confident | 84.6 | Confident | 127 Ų | 127 | 57.1 Ų | 57.1 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -83.6 | -39.9 | 172.8 | -59.6 | 166 | -175.5 | 146.2 | 0 | 111.3 | A500 I501 L502 R508 | A500-K504 WeakPolarHBondContact O-CD 3.42Å; A500-K504 WeakPolarHBondContact O-CE 3.4Å; A500-K504 PolarHBondContact O-NZ 3.41Å; I501-K504 WeakPolarHBondContact O-CA 3.48Å; I501-K504 WeakPolarHBondContact O-CB 3.28Å; I501-K504 PolarHBondContact O-N 3.06Å; L502-K504 PolarHBondContact O-N 2.67Å; K504-R508 WeakPolarHBondContact O-CD 3.38Å; K504-R508 WeakPolarHBondContact O-CG 3.32Å; K504-R508 PolarHBondContact O-N 3.45Å |
| 505 | I | 85.8 | Confident | 83.9 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.056 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66 | -52.6 | 179.3 | -58.4 | 172.3 | 0 | 0 | 0 | 110.1 | L268 E269 I501 L502 V507 R508 S509 | L268-I505 HydrophobicContact CB-CD1 3.83Å; E269-I505 HydrophobicContact CB-CD1 4.41Å; E269-I505 HydrophobicContact CG-CD1 3.51Å; E269-I505 HydrophobicContact CG-CG1 3.64Å; E269-I505 HydrophobicContact CG-CG2 4.39Å; I501-I505 HydrophobicContact CG2-CD1 3.66Å; I501-I505 HydrophobicContact CG2-CG1 4.34Å; I501-I505 WeakPolarHBondContact O-CG1 3.33Å; I501-I505 PolarHBondContact O-N 3.48Å; I501-I505 VanDerWaalsContact O-N 3.14Å; L502-I505 HydrophobicContact CD2-CD1 4.4Å; L502-I505 PolarHBondContact O-N 3.14Å; I505-V507 PolarHBondContact O-N 3.28Å; I505-V507 VanDerWaalsContact O-N 3.14Å; I505-R508 WeakPolarHBondContact O-CB 3.46Å; I505-R508 PolarHBondContact O-N 3.17Å; I505-S509 PolarHBondContact O-N 3.37Å |
| 506 | L | 80.6 | Confident | 83.3 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.199 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 0.4 | -175.3 | -61.9 | 171.2 | 0 | 0 | 0 | 114.4 | L299 P301 V304 L502 S509 | L299-L506 HydrophobicContact CB-CD2 3.78Å; P301-L506 HydrophobicContact CB-CD1 4.16Å; P301-L506 HydrophobicContact CG-CD1 3.69Å; V304-L506 HydrophobicContact CG2-CD2 4.39Å; L502-L506 HydrophobicContact CB-CD1 4.32Å; L502-L506 VanDerWaalsContact O-CB 3.28Å; L502-L506 WeakPolarHBondContact O-CB 3.3Å; L502-L506 WeakPolarHBondContact O-CG 3.49Å; L502-L506 PolarHBondContact O-N 2.97Å; L506-S509 WeakPolarHBondContact CA-OG 3.45Å |
| 507 | V | 73.8 | Confident | 82.7 | Confident | 125 Ų | 125 | 61.2 Ų | 61.2 | 76% | 0.758 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -13.6 | 168.6 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | S503 I505 | S503-V507 WeakPolarHBondContact O-CB 3.48Å; S503-V507 WeakPolarHBondContact O-CG2 3.48Å; I505-V507 PolarHBondContact O-N 3.28Å; I505-V507 VanDerWaalsContact O-N 3.14Å |
| 508 | R | 58.8 | Low | 81.9 | Confident | 191 Ų | 191 | 64.3 Ų | 64.3 | 72% | 0.721 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -19.6 | 172.1 | -69.8 | 167.8 | 171 | -179.7 | -4.4 | 113.2 | E269 K504 I505 | E269-R508 IonicContact OE1-NH1 3.47Å; E269-R508 PolarHBondContact OE1-NH1 3.03Å; E269-R508 VanDerWaalsContact OE1-NH1 3.13Å; K504-R508 WeakPolarHBondContact O-CD 3.38Å; K504-R508 WeakPolarHBondContact O-CG 3.32Å; K504-R508 PolarHBondContact O-N 3.45Å; I505-R508 WeakPolarHBondContact O-CB 3.46Å; I505-R508 PolarHBondContact O-N 3.17Å |
| 509 | S | 52 | Low | 80.9 | Confident | 80 Ų | 80 | 70.2 Ų | 70.2 | 56% | 0.559 | 38% | 0.378 | S | S | * | . | trans | -98.1 | 0 | -175.4 | 70 | 0 | 0 | 0 | 0 | 114.1 | I505 L506 | I505-S509 PolarHBondContact O-N 3.37Å; L506-S509 WeakPolarHBondContact CA-OG 3.45Å |
Retrieved 509 of 509 residues in 297.6 ms
(Link to these results)