| 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 | 29.3 | Very low | 27 | Very low | 231 Ų | 231 | 149.9 Ų | 149.9 | 100% | 1.138 | 81% | 0.809 | S | S | * | * | 0 | 56 | 0 | -65.6 | -170.7 | -173.9 | 0 | 0 | 107.3 | |||||
| 2 | D | 25.8 | Very low | 27.4 | Very low | 133 Ų | 133 | 155 Ų | 155 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | 75.2 | 118.5 | 60.5 | -79.5 | 49.8 | 0 | 0 | 0 | 113.8 | |||||
| 3 | F | 27.3 | Very low | 27.3 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | 56.6 | 109.5 | 163.3 | -63 | -80.6 | 0 | 0 | 0 | 118.1 | ||||
| 4 | S | 25 | Very low | 27.6 | Very low | 95 Ų | 95 | 150.6 Ų | 150.6 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | 84.3 | 124.5 | 73.6 | -69.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 5 | N | 29.9 | Very low | 27.7 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -171.2 | 121.7 | 133.5 | -96 | -29 | 0 | 0 | 0 | 112.4 | ||||
| 6 | L | 27.3 | Very low | 27.8 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -75.8 | 151.6 | 150.9 | -100.9 | 70.4 | 0 | 0 | 0 | 108.1 | ||||
| 7 | H | 29.8 | Very low | 28.1 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -150.7 | 138.9 | 141.7 | -142.7 | -88.4 | 0 | 0 | 0 | 114.1 | ||||
| 8 | C | 23 | Very low | 28 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -72.4 | 159.5 | 169.2 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 9 | F | 25.7 | Very low | 28.2 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -126.6 | 127.8 | 164.9 | -118.9 | -88.1 | 0 | 0 | 0 | 110.7 | ||||
| 10 | V | 26.2 | Very low | 28.1 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -143.4 | 128.4 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 11 | G | 28.1 | Very low | 28.3 | Very low | 60 Ų | 60 | 138.7 Ų | 138.7 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | trans | 85.6 | 151.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 12 | K | 31.4 | Very low | 28.3 | Very low | 211 Ų | 211 | 135 Ų | 135 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | cis | -156.3 | 160.1 | -6.3 | -60.6 | 175.5 | -180 | 168.9 | 0 | 107.5 | ||||
| 13 | G | 26.5 | Very low | 28.8 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | 129.7 | 102.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 14 | M | 30.9 | Very low | 29 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | trans | -143.1 | 114.3 | 175.2 | -82.2 | -157.7 | 169.6 | 0 | 0 | 117.5 | ||||
| 15 | I | 29.1 | Very low | 29.5 | Very low | 141 Ų | 141 | 134 Ų | 134 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | trans | 54.8 | 109.9 | 130.4 | -46.2 | 160.5 | 0 | 0 | 0 | 120.8 | ||||
| 16 | S | 30.5 | Very low | 30.1 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | -158.9 | 115.2 | 118.4 | -22.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 17 | T | 31.6 | Very low | 30.8 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 39.5 | 109.4 | 146.8 | 56 | 0 | 0 | 0 | 0 | 124 | ||||
| 18 | A | 26.7 | Very low | 31.4 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | 66.9 | 104.5 | 127.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 19 | S | 31.2 | Very low | 32.3 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | 175 | 130.5 | 98.7 | -74.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 20 | S | 27.5 | Very low | 33.2 | Very low | 125 Ų | 125 | 122 Ų | 122 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | 42.4 | 96 | 146.5 | -54 | 0 | 0 | 0 | 0 | 122 | ||||
| 21 | A | 32.2 | Very low | 33.8 | Very low | 88 Ų | 88 | 120.6 Ų | 120.6 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -163.6 | 114.9 | 137.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I23 | A21-I23 PolarHBondContact O-N 3.1Š| ||
| 22 | T | 29.5 | Very low | 34.4 | Very low | 154 Ų | 154 | 121.1 Ų | 121.1 | 95% | 0.945 | 72% | 0.722 | S | S | * | * | trans | -77.1 | 107.7 | 171.3 | 12.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 23 | I | 35.3 | Very low | 35.1 | Very low | 144 Ų | 144 | 116.9 Ų | 116.9 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -112.5 | 125.9 | 172 | -60.3 | 179.2 | 0 | 0 | 0 | 108.9 | A21 T25 | A21-I23 PolarHBondContact O-N 3.1Å; I23-T25 PolarHBondContact O-N 3.34Å | ||
| 24 | N | 31.9 | Very low | 36.2 | Very low | 134 Ų | 134 | 117.6 Ų | 117.6 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | trans | -61 | 114.3 | 179.1 | -92.7 | -29.8 | 0 | 0 | 0 | 111.4 | N26 | N24-N26 VanDerWaalsContact C-N 3.27Å; N24-N26 PolarHBondContact O-N 3.49Å | ||
| 25 | T | 36 | Very low | 36.6 | Very low | 108 Ų | 108 | 111.1 Ų | 111.1 | 66% | 0.663 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -3.8 | 178.4 | 46.9 | 0 | 0 | 0 | 0 | 114.4 | I23 T27 S28 | I23-T25 PolarHBondContact O-N 3.34Å; T25-T27 PolarHBondContact O-N 3.35Å; T25-S28 PolarHBondContact O-OG 2.91Å |
| 26 | N | 41.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 110.3 Ų | 110.3 | 66% | 0.658 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.7 | -14.1 | -172.1 | -72.2 | -10.1 | 0 | 0 | 0 | 115.1 | N24 | N24-N26 VanDerWaalsContact C-N 3.27Å; N24-N26 PolarHBondContact O-N 3.49Å |
| 27 | T | 42.1 | Very low | 38 | Very low | 94 Ų | 94 | 111 Ų | 111 | 58% | 0.577 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.7 | -39 | 179.4 | 40.4 | 0 | 0 | 0 | 0 | 113 | T25 E29 Q30 D31 | T25-T27 PolarHBondContact O-N 3.35Å; T27-E29 VanDerWaalsContact C-N 3.32Å; T27-E29 PolarHBondContact O-N 2.81Å; T27-Q30 PolarHBondContact O-N 3.13Å; T27-D31 PolarHBondContact O-N 3.11Å |
| 28 | S | 44.3 | Very low | 38.7 | Very low | 80 Ų | 80 | 110.1 Ų | 110.1 | 56% | 0.559 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.7 | -26.8 | -175.8 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | T25 C32 | T25-S28 PolarHBondContact O-OG 2.91Å; S28-C32 WeakPolarHBondContact O-CB 3.47Å; S28-C32 PolarHBondContact O-N 3.06Å |
| 29 | E | 41.5 | Very low | 39.5 | Very low | 123 Ų | 123 | 112.8 Ų | 112.8 | 58% | 0.575 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.5 | -31.7 | 174.9 | -78.7 | -152.8 | 167.2 | 0 | 0 | 113.6 | T27 K33 | T27-E29 VanDerWaalsContact C-N 3.32Å; T27-E29 PolarHBondContact O-N 2.81Å; E29-K33 WeakPolarHBondContact O-CG 3.36Å; E29-K33 PolarHBondContact O-N 3.07Å; E29-K33 IonicContact OE2-NZ 3.84Å; E29-K33 PolarHBondContact OE2-NZ 3.41Å; E29-K33 VanDerWaalsContact OE2-NZ 3.15Å |
| 30 | Q | 44.1 | Very low | 40 | Very low | 136 Ų | 136 | 113.7 Ų | 113.7 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.8 | -44.1 | 178.9 | -71.2 | -166.5 | -29.2 | 0 | 0 | 110.9 | T27 C32 K33 I34 | T27-Q30 PolarHBondContact O-N 3.13Å; Q30-C32 VanDerWaalsContact C-N 3.31Å; Q30-C32 PolarHBondContact O-N 2.97Å; Q30-K33 PolarHBondContact O-N 2.99Å; Q30-I34 WeakPolarHBondContact O-CG1 3.35Å; Q30-I34 PolarHBondContact O-N 3.38Å |
| 31 | D | 39.2 | Very low | 40.9 | Very low | 113 Ų | 113 | 114 Ų | 114 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.8 | -38.5 | 176.9 | -68.1 | -31.1 | 0 | 0 | 0 | 112.2 | T27 I34 G35 | T27-D31 PolarHBondContact O-N 3.11Å; D31-I34 PolarHBondContact O-N 3.22Å; D31-G35 PolarHBondContact O-N 2.88Å |
| 32 | C | 40.8 | Very low | 41.5 | Very low | 72 Ų | 72 | 115.8 Ų | 115.8 | 49% | 0.486 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.4 | -42 | 175.8 | -169.1 | 0 | 0 | 0 | 0 | 112.5 | S28 Q30 G35 Q36 | S28-C32 WeakPolarHBondContact O-CB 3.47Å; S28-C32 PolarHBondContact O-N 3.06Å; Q30-C32 VanDerWaalsContact C-N 3.31Å; Q30-C32 PolarHBondContact O-N 2.97Å; C32-G35 PolarHBondContact O-N 3.26Å; C32-Q36 WeakPolarHBondContact O-CG 3.45Å; C32-Q36 PolarHBondContact O-N 3.38Å; C32-Q36 VanDerWaalsContact O-N 3.13Å |
| 33 | K | 45.9 | Very low | 42.1 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 53% | 0.526 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.5 | -37.5 | 177.8 | -74.7 | 166.9 | -178.8 | 156.7 | 0 | 112.2 | E29 Q30 Q36 Q37 | E29-K33 WeakPolarHBondContact O-CG 3.36Å; E29-K33 PolarHBondContact O-N 3.07Å; E29-K33 IonicContact OE2-NZ 3.84Å; E29-K33 PolarHBondContact OE2-NZ 3.41Å; E29-K33 VanDerWaalsContact OE2-NZ 3.15Å; Q30-K33 PolarHBondContact O-N 2.99Å; K33-Q36 PolarHBondContact O-N 3.13Å; K33-Q37 PolarHBondContact O-N 3.32Å; K33-Q37 VanDerWaalsContact O-N 3.1Å |
| 34 | I | 49.5 | Very low | 42.2 | Very low | 89 Ų | 89 | 111 Ų | 111 | 46% | 0.456 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.1 | -44 | 175.4 | -66.9 | 164.9 | 0 | 0 | 0 | 110.8 | Q30 D31 Q36 Q37 Q38 | Q30-I34 WeakPolarHBondContact O-CG1 3.35Å; Q30-I34 PolarHBondContact O-N 3.38Å; D31-I34 PolarHBondContact O-N 3.22Å; I34-Q36 PolarHBondContact O-N 2.89Å; I34-Q37 PolarHBondContact O-N 2.8Å; I34-Q38 WeakPolarHBondContact O-CG 3.29Å; I34-Q38 PolarHBondContact O-N 2.82Å |
| 35 | G | 39.4 | Very low | 42.2 | Very low | 39 Ų | 39 | 112.3 Ų | 112.3 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.4 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | D31 C32 Q38 Y39 | D31-G35 PolarHBondContact O-N 2.88Å; C32-G35 PolarHBondContact O-N 3.26Å; G35-Q38 PolarHBondContact O-N 3.45Å; G35-Y39 PolarHBondContact O-N 3.04Å; G35-Y39 VanDerWaalsContact O-N 3.09Å |
| 36 | Q | 47.6 | Very low | 42.1 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.9 | -39 | 177.5 | -71.5 | -177.6 | 1.4 | 0 | 0 | 113.1 | C32 K33 I34 Y39 Q40 | C32-Q36 WeakPolarHBondContact O-CG 3.45Å; C32-Q36 PolarHBondContact O-N 3.38Å; C32-Q36 VanDerWaalsContact O-N 3.13Å; K33-Q36 PolarHBondContact O-N 3.13Å; I34-Q36 PolarHBondContact O-N 2.89Å; Q36-Y39 PolarHBondContact O-N 3.4Å; Q36-Q40 PolarHBondContact O-N 2.87Å |
| 37 | Q | 42 | Very low | 41.6 | Very low | 125 Ų | 125 | 117 Ų | 117 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.1 | -39.8 | 174.8 | -78.3 | -172.1 | -15.5 | 0 | 0 | 112.5 | K33 I34 Y39 Q40 Q41 | K33-Q37 PolarHBondContact O-N 3.32Å; K33-Q37 VanDerWaalsContact O-N 3.1Å; I34-Q37 PolarHBondContact O-N 2.8Å; Q37-Y39 VanDerWaalsContact C-N 3.33Å; Q37-Y39 PolarHBondContact O-N 3.03Å; Q37-Q40 PolarHBondContact O-N 3.4Å; Q37-Q41 PolarHBondContact O-N 3.46Å |
| 38 | Q | 45.4 | Very low | 40.9 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63 | -39.6 | 174.6 | -72.3 | -177.3 | 3.8 | 0 | 0 | 111.9 | I34 G35 Q41 Q42 | I34-Q38 WeakPolarHBondContact O-CG 3.29Å; I34-Q38 PolarHBondContact O-N 2.82Å; G35-Q38 PolarHBondContact O-N 3.45Å; Q38-Q41 PolarHBondContact O-N 3.18Å; Q38-Q42 WeakPolarHBondContact O-CG 3.46Å; Q38-Q42 PolarHBondContact O-N 3.4Å; Q38-Q42 VanDerWaalsContact O-N 3.08Å |
| 39 | Y | 43.1 | Very low | 40.1 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 58% | 0.584 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.3 | -43.4 | 174.6 | -174.6 | -103.7 | 0 | 0 | 0 | 112.2 | G35 Q36 Q37 Q42 Q43 | G35-Y39 PolarHBondContact O-N 3.04Å; G35-Y39 VanDerWaalsContact O-N 3.09Å; Q36-Y39 PolarHBondContact O-N 3.4Å; Q37-Y39 VanDerWaalsContact C-N 3.33Å; Q37-Y39 PolarHBondContact O-N 3.03Å; Y39-Q42 PolarHBondContact O-N 3.43Å; Y39-Q43 HydrophobicContact CE1-CG 4.28Å; Y39-Q43 WeakPolarHBondContact O-CG 3.46Å; Y39-Q43 PolarHBondContact O-N 2.79Å; Y39-Q43 PolarHBondContact OH-NE2 3.34Å |
| 40 | Q | 42.8 | Very low | 39.4 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 176.9 | -74.6 | -177.4 | -12.1 | 0 | 0 | 113 | Q36 Q37 Q42 Q43 L44 | Q36-Q40 PolarHBondContact O-N 2.87Å; Q37-Q40 PolarHBondContact O-N 3.4Å; Q40-Q42 VanDerWaalsContact C-N 3.33Å; Q40-Q42 PolarHBondContact O-N 3.16Å; Q40-Q43 PolarHBondContact O-N 2.66Å; Q40-L44 PolarHBondContact O-N 2.78Å |
| 41 | Q | 44.7 | Very low | 38.6 | Very low | 131 Ų | 131 | 122 Ų | 122 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -36.9 | 175.2 | -70.9 | -175.3 | 25.4 | 0 | 0 | 112.4 | Q37 Q38 Q43 L44 F45 | Q37-Q41 PolarHBondContact O-N 3.46Å; Q38-Q41 PolarHBondContact O-N 3.18Å; Q41-Q43 VanDerWaalsContact C-N 3.33Å; Q41-Q43 PolarHBondContact O-N 2.94Å; Q41-L44 PolarHBondContact O-N 2.84Å; Q41-F45 PolarHBondContact O-N 2.89Å |
| 42 | Q | 45.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.2 | -31.9 | 175.4 | -72.3 | 177.1 | 26.2 | 0 | 0 | 113.1 | Q38 Y39 Q40 R46 | Q38-Q42 WeakPolarHBondContact O-CG 3.46Å; Q38-Q42 PolarHBondContact O-N 3.4Å; Q38-Q42 VanDerWaalsContact O-N 3.08Å; Y39-Q42 PolarHBondContact O-N 3.43Å; Q40-Q42 VanDerWaalsContact C-N 3.33Å; Q40-Q42 PolarHBondContact O-N 3.16Å; Q42-R46 PolarHBondContact O-N 3.25Å |
| 43 | Q | 42.6 | Very low | 37 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 36% | 0.36 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.7 | -35.3 | 175.8 | -64 | -63.5 | -7.2 | 0 | 0 | 112.5 | Y39 Q40 Q41 F45 R46 | Y39-Q43 HydrophobicContact CE1-CG 4.28Å; Y39-Q43 WeakPolarHBondContact O-CG 3.46Å; Y39-Q43 PolarHBondContact O-N 2.79Å; Y39-Q43 PolarHBondContact OH-NE2 3.34Å; Q40-Q43 PolarHBondContact O-N 2.66Å; Q41-Q43 VanDerWaalsContact C-N 3.33Å; Q41-Q43 PolarHBondContact O-N 2.94Å; Q43-F45 VanDerWaalsContact C-N 3.32Å; Q43-F45 PolarHBondContact O-N 3.48Å; Q43-R46 PolarHBondContact O-N 3.04Å |
| 44 | L | 36.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.7 | -36.4 | 173.7 | -71.4 | 167.7 | 0 | 0 | 0 | 112 | Q40 Q41 R46 Q47 | Q40-L44 PolarHBondContact O-N 2.78Å; Q41-L44 PolarHBondContact O-N 2.84Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.05Å; L44-Q47 PolarHBondContact O-N 3.34Å |
| 45 | F | 32.1 | Very low | 34.6 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 72% | 0.715 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.5 | -26 | 175.3 | -117.3 | -83.9 | 0 | 0 | 0 | 113.7 | Q41 Q43 Q47 | Q41-F45 PolarHBondContact O-N 2.89Å; Q43-F45 VanDerWaalsContact C-N 3.32Å; Q43-F45 PolarHBondContact O-N 3.48Å; F45-Q47 PolarHBondContact O-N 3.24Å |
| 46 | R | 33.9 | Very low | 34 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 64% | 0.638 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -18.3 | 177.5 | -77.7 | -171 | -178 | -111.5 | -0.1 | 114.1 | Q42 Q43 L44 | Q42-R46 PolarHBondContact O-N 3.25Å; Q43-R46 PolarHBondContact O-N 3.04Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.05Å |
| 47 | Q | 32.3 | Very low | 32.8 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -13.6 | -174.3 | -63.1 | -172.3 | -0 | 0 | 0 | 114.1 | L44 F45 | L44-Q47 PolarHBondContact O-N 3.34Å; F45-Q47 PolarHBondContact O-N 3.24Å |
| 48 | N | 26.6 | Very low | 31.9 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -120.4 | 22.2 | -165.4 | -82.8 | -20.3 | 0 | 0 | 0 | 116.1 | ||
| 49 | T | 27.7 | Very low | 31 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 45% | 0.454 | 68% | 0.683 | S | S | . | * | trans | -132.8 | 104.4 | 173.2 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | Y51 | T49-Y51 PolarHBondContact O-N 3.38Š| ||
| 50 | P | 26.8 | Very low | 30.2 | Very low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | trans | -73.5 | 112.9 | 171.3 | 29.5 | -31.7 | 0 | 0 | 0 | 109.9 | N52 | P50-N52 PolarHBondContact O-N 3.42Å; P50-N52 VanDerWaalsContact O-N 3.14Å | ||
| 51 | Y | 26 | Very low | 29.5 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -72.2 | 103.7 | 174.2 | -83.1 | -97.2 | 0 | 0 | 0 | 110.3 | T49 F53 | T49-Y51 PolarHBondContact O-N 3.38Å; Y51-F53 HydrophobicContact CD1-CD2 4.3Å; Y51-F53 AromaticContact CD1-CE2 3.99Å; Y51-F53 HydrophobicContact CD1-CE2 3.99Å; Y51-F53 HydrophobicContact CE1-CE2 4.44Å | ||
| 52 | N | 23 | Very low | 28.6 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | trans | -110.6 | 104.3 | 164.3 | -169.7 | -15.2 | 0 | 0 | 0 | 109.3 | P50 S54 | P50-N52 PolarHBondContact O-N 3.42Å; P50-N52 VanDerWaalsContact O-N 3.14Å; N52-S54 PolarHBondContact O-N 2.95Å; N52-S54 PolarHBondContact OD1-N 2.82Å; N52-S54 PolarHBondContact OD1-OG 3.11Å | ||
| 53 | F | 23.9 | Very low | 27.9 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -83.4 | 62.1 | 175.8 | -103.3 | -86 | 0 | 0 | 0 | 110.9 | Y51 | Y51-F53 HydrophobicContact CD1-CD2 4.3Å; Y51-F53 AromaticContact CD1-CE2 3.99Å; Y51-F53 HydrophobicContact CD1-CE2 3.99Å; Y51-F53 HydrophobicContact CE1-CE2 4.44Å | ||
| 54 | S | 21.9 | Very low | 27.3 | Very low | 80 Ų | 80 | 148 Ų | 148 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | trans | -146.7 | 145.5 | 167.8 | 62.7 | 0 | 0 | 0 | 0 | 110.3 | N52 | N52-S54 PolarHBondContact O-N 2.95Å; N52-S54 PolarHBondContact OD1-N 2.82Å; N52-S54 PolarHBondContact OD1-OG 3.11Å | ||
| 55 | S | 23.9 | Very low | 26.9 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 67.8 | 77.5 | -177.2 | -164 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 56 | W | 25.9 | Very low | 26.6 | Very low | 254 Ų | 254 | 149.4 Ų | 149.4 | 96% | 0.962 | 76% | 0.761 | S | S | * | * | trans | -107.4 | 95 | 149 | -86 | 33 | 0 | 0 | 0 | 108.8 | ||||
| 57 | D | 22.9 | Very low | 26.5 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | trans | -78.4 | 136.8 | 176.8 | -166.7 | -1.6 | 0 | 0 | 0 | 110.6 | N59 | D57-N59 PolarHBondContact O-N 3.25Å; D57-N59 VanDerWaalsContact O-N 3.11Å; D57-N59 PolarHBondContact OD1-ND2 3.49Å | ||
| 58 | W | 23.7 | Very low | 26.3 | Very low | 229 Ų | 229 | 148.8 Ų | 148.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 25.1 | -165.9 | -98.1 | 88.9 | 0 | 0 | 0 | 114.5 | ||
| 59 | N | 25 | Very low | 26.3 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 10.5 | -168.6 | -79.1 | -46.9 | 0 | 0 | 0 | 116.1 | D57 V61 | D57-N59 PolarHBondContact O-N 3.25Å; D57-N59 VanDerWaalsContact O-N 3.11Å; D57-N59 PolarHBondContact OD1-ND2 3.49Å; N59-V61 PolarHBondContact O-N 3.11Å |
| 60 | A | 27.6 | Very low | 26.4 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -94.9 | 37.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 61 | V | 26.8 | Very low | 26.7 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -119.5 | 44.6 | -179.5 | -165.8 | 0 | 0 | 0 | 0 | 111.8 | N59 | N59-V61 PolarHBondContact O-N 3.11Š|
| 62 | N | 27.4 | Very low | 26.7 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -149.4 | 14.1 | 176.1 | -112.7 | -4.6 | 0 | 0 | 0 | 115.6 | ||
| 63 | I | 29.7 | Very low | 27.2 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -130.6 | 89.9 | 173.7 | -52.8 | 176.8 | 0 | 0 | 0 | 108.1 | ||
| 64 | I | 30.9 | Very low | 27.3 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 174.8 | 40.4 | 155.8 | -84.7 | 148 | 0 | 0 | 0 | 107.5 | ||
| 65 | N | 27.9 | Very low | 27.8 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -144.4 | 41.2 | 172.2 | -153.2 | 42.4 | 0 | 0 | 0 | 112.7 | ||
| 66 | N | 25.9 | Very low | 27.9 | Very low | 154 Ų | 154 | 154 Ų | 154 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -160.7 | 98.6 | 161.1 | -101.1 | -20.7 | 0 | 0 | 0 | 107.9 | ||||
| 67 | N | 30.6 | Very low | 28 | Very low | 164 Ų | 164 | 145 Ų | 145 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | 177.7 | 98.9 | 135.3 | -88.6 | -10 | 0 | 0 | 0 | 109.2 | ||||
| 68 | N | 27.2 | Very low | 28.3 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -71.1 | 164.9 | 158.4 | -83.9 | -25.8 | 0 | 0 | 0 | 110.1 | ||||
| 69 | N | 27.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 76.5 | 96.7 | 162.1 | -57.4 | -11.5 | 0 | 0 | 0 | 117.5 | ||||
| 70 | N | 29.7 | Very low | 28.5 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | 153.4 | 139.8 | 97.3 | -88.1 | -12.1 | 0 | 0 | 0 | 114.6 | |||||
| 71 | N | 32.8 | Very low | 28.4 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 90.4 | 123.9 | 153.4 | -63.4 | -8.5 | 0 | 0 | 0 | 121.3 | ||||
| 72 | N | 27.4 | Very low | 28.4 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -76.3 | 153.7 | 176.2 | -55 | -46.2 | 0 | 0 | 0 | 111.9 | ||||
| 73 | N | 32.2 | Very low | 28.2 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | 178.8 | 105 | 107.4 | -87.8 | -23 | 0 | 0 | 0 | 114 | |||||
| 74 | N | 26.5 | Very low | 27.9 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 21.1 | 116.2 | 135.1 | -163.3 | 21.1 | 0 | 0 | 0 | 121.2 | ||||
| 75 | V | 32.5 | Very low | 27.6 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -145.1 | 140.7 | 139.1 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 76 | N | 26.4 | Very low | 27.4 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -68.8 | 145.4 | 179.1 | -65.2 | -58.2 | 0 | 0 | 0 | 114 | ||||
| 77 | G | 27 | Very low | 27.3 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -179.2 | 109.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 78 | T | 29 | Very low | 27.1 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | 40.6 | 107.5 | 158.9 | 48.1 | 0 | 0 | 0 | 0 | 118.9 | Q80 | T78-Q80 PolarHBondContact O-N 3.2Š| ||
| 79 | Q | 26.2 | Very low | 27.1 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 96% | 0.963 | 79% | 0.789 | S | S | * | * | trans | -64 | 93.1 | 163.9 | -66.3 | 176.7 | -0.1 | 0 | 0 | 111 | ||||
| 80 | Q | 28.2 | Very low | 27.3 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | -79 | 144.2 | 160.8 | -68 | -167.6 | -7.1 | 0 | 0 | 109.7 | T78 I82 | T78-Q80 PolarHBondContact O-N 3.2Å; Q80-I82 VanDerWaalsContact C-N 3.3Å; Q80-I82 PolarHBondContact O-N 2.83Å | ||
| 81 | P | 25.6 | Very low | 27.4 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -71.6 | 90.1 | 172.9 | 30.5 | -33.2 | 0 | 0 | 0 | 108.8 | C83 | P81-C83 PolarHBondContact O-N 2.85Š| ||
| 82 | I | 25.3 | Very low | 27.4 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -58.3 | 109.5 | 166.9 | -61.9 | 173.4 | 0 | 0 | 0 | 106.5 | Q80 K84 | Q80-I82 VanDerWaalsContact C-N 3.3Å; Q80-I82 PolarHBondContact O-N 2.83Å; I82-K84 PolarHBondContact O-N 2.98Å | ||
| 83 | C | 24 | Very low | 27.5 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -63.7 | 83.1 | 173.9 | -73 | 0 | 0 | 0 | 0 | 109.8 | P81 P85 | P81-C83 PolarHBondContact O-N 2.85Å; C83-P85 WeakPolarHBondContact O-CD 3.32Å | ||
| 84 | K | 23.5 | Very low | 27.5 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -53.6 | 125.3 | 171.9 | -71.3 | 176.6 | 178 | 176 | 0 | 108.5 | I82 L86 | I82-K84 PolarHBondContact O-N 2.98Å; K84-L86 PolarHBondContact O-N 3.3Å; K84-L86 VanDerWaalsContact O-N 3.12Å | ||
| 85 | P | 24.7 | Very low | 27.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -58.8 | 118.9 | 171.3 | -22.4 | 33.4 | 0 | 0 | 0 | 109.5 | C83 F87 | C83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-F87 PolarHBondContact O-N 3.16Å | ||
| 86 | L | 22.9 | Very low | 27.6 | Very low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -77.5 | 43.1 | -179.6 | -99.8 | 170 | 0 | 0 | 0 | 112.8 | K84 | K84-L86 PolarHBondContact O-N 3.3Å; K84-L86 VanDerWaalsContact O-N 3.12Å |
| 87 | F | 24.2 | Very low | 27.8 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 80% | 0.803 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -147 | 126.3 | 170.7 | -70.7 | -72.6 | 0 | 0 | 0 | 110.7 | P85 | P85-F87 PolarHBondContact O-N 3.16Š|
| 88 | P | 27 | Very low | 28 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | trans | -76.7 | 129.3 | 177.1 | 30.5 | -32.9 | 0 | 0 | 0 | 111 | N90 | P88-N90 HydrophobicContact CB-CB 4.5Å; P88-N90 PolarHBondContact O-N 3.04Å | ||
| 89 | E | 27.2 | Very low | 28.1 | Very low | 190 Ų | 190 | 130.5 Ų | 130.5 | 89% | 0.888 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 19.6 | -179.5 | -62.4 | 175.7 | 126.3 | 0 | 0 | 114.1 | ||
| 90 | N | 31.1 | Very low | 28.5 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -96.9 | -6.4 | -161.9 | -148.3 | -1.3 | 0 | 0 | 0 | 114.4 | P88 K94 | P88-N90 HydrophobicContact CB-CB 4.5Å; P88-N90 PolarHBondContact O-N 3.04Å; N90-K94 WeakPolarHBondContact O-CD 3.49Å; N90-K94 VanDerWaalsContact O-CG 3.28Å; N90-K94 WeakPolarHBondContact O-CG 3.31Å |
| 91 | D | 31.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 59% | 0.588 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -92.6 | -28.6 | -178.2 | -68.5 | -24.5 | 0 | 0 | 0 | 113.2 | K94 M95 | D91-K94 PolarHBondContact O-N 3.16Å; D91-K94 IonicContact OD1-NZ 3.85Å; D91-M95 PolarHBondContact O-N 2.72Å; D91-M95 VanDerWaalsContact O-N 3.16Å |
| 92 | V | 31.8 | Very low | 28.8 | Very low | 76 Ų | 76 | 128 Ų | 128 | 46% | 0.461 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.4 | -41.9 | 173.4 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | K94 M95 I96 | V92-K94 PolarHBondContact O-N 3.34Å; V92-M95 PolarHBondContact O-N 2.85Å; V92-I96 HydrophobicContact CG1-CD1 4.02Å; V92-I96 WeakPolarHBondContact O-CG1 3.47Å; V92-I96 PolarHBondContact O-N 2.74Å |
| 93 | M | 30.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.2 | -34.2 | 175.8 | -92.1 | -65.2 | -163.5 | 0 | 0 | 113.2 | I96 N97 | M93-I96 PolarHBondContact O-N 3.34Å; M93-N97 WeakPolarHBondContact O-CB 3.41Å; M93-N97 PolarHBondContact O-N 3.49Å |
| 94 | K | 31.8 | Very low | 28.9 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 52% | 0.517 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.5 | -41 | 173.7 | -74.3 | 170.7 | -169.4 | 168.1 | 0 | 112.2 | N90 D91 V92 I96 N97 F98 | N90-K94 WeakPolarHBondContact O-CD 3.49Å; N90-K94 VanDerWaalsContact O-CG 3.28Å; N90-K94 WeakPolarHBondContact O-CG 3.31Å; D91-K94 PolarHBondContact O-N 3.16Å; D91-K94 IonicContact OD1-NZ 3.85Å; V92-K94 PolarHBondContact O-N 3.34Å; K94-I96 VanDerWaalsContact C-N 3.33Å; K94-I96 PolarHBondContact O-N 3.47Å; K94-N97 PolarHBondContact O-N 3.27Å; K94-F98 PolarHBondContact O-N 3.21Å |
| 95 | M | 27.6 | Very low | 29.1 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.5 | -34.2 | 175.4 | -168.6 | 172.7 | -102.8 | 0 | 0 | 112.2 | D91 V92 I99 | D91-M95 PolarHBondContact O-N 2.72Å; D91-M95 VanDerWaalsContact O-N 3.16Å; V92-M95 PolarHBondContact O-N 2.85Å; M95-I99 WeakPolarHBondContact O-CD1 3.38Å; M95-I99 WeakPolarHBondContact O-CG1 3.2Å |
| 96 | I | 32.5 | Very low | 29.2 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 39% | 0.39 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.5 | -38.1 | 174.2 | -69.1 | 168.7 | 0 | 0 | 0 | 111.9 | V92 M93 K94 I99 K100 | V92-I96 HydrophobicContact CG1-CD1 4.02Å; V92-I96 WeakPolarHBondContact O-CG1 3.47Å; V92-I96 PolarHBondContact O-N 2.74Å; M93-I96 PolarHBondContact O-N 3.34Å; K94-I96 VanDerWaalsContact C-N 3.33Å; K94-I96 PolarHBondContact O-N 3.47Å; I96-I99 PolarHBondContact O-N 3.38Å; I96-K100 PolarHBondContact O-N 3.09Å |
| 97 | N | 30.9 | Very low | 29.4 | Very low | 80 Ų | 80 | 126 Ų | 126 | 43% | 0.428 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.2 | -30.9 | 178.3 | -78.6 | -18.1 | 0 | 0 | 0 | 113.1 | M93 K94 I99 K100 | M93-N97 WeakPolarHBondContact O-CB 3.41Å; M93-N97 PolarHBondContact O-N 3.49Å; K94-N97 PolarHBondContact O-N 3.27Å; N97-I99 PolarHBondContact O-N 3.03Å; N97-K100 PolarHBondContact O-N 2.85Å; N97-K100 VanDerWaalsContact O-N 3.13Å |
| 98 | F | 32.1 | Very low | 29.4 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 63% | 0.632 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.2 | -35.7 | 170.6 | -148.3 | -88.6 | 0 | 0 | 0 | 111.7 | K94 K100 | K94-F98 PolarHBondContact O-N 3.21Å; F98-K100 VanDerWaalsContact C-N 3.28Å; F98-K100 PolarHBondContact O-N 3.1Å |
| 99 | I | 31.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 59% | 0.585 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.2 | -13.5 | 178.2 | -63.1 | 168.3 | 0 | 0 | 0 | 112.5 | M95 I96 N97 | M95-I99 WeakPolarHBondContact O-CD1 3.38Å; M95-I99 WeakPolarHBondContact O-CG1 3.2Å; I96-I99 PolarHBondContact O-N 3.38Å; N97-I99 PolarHBondContact O-N 3.03Å |
| 100 | K | 33.8 | Very low | 29.4 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -90.7 | -13.3 | 176.6 | -75.2 | -176.8 | 176.6 | 179.8 | 0 | 114.2 | I96 N97 F98 | I96-K100 PolarHBondContact O-N 3.09Å; N97-K100 PolarHBondContact O-N 2.85Å; N97-K100 VanDerWaalsContact O-N 3.13Å; F98-K100 VanDerWaalsContact C-N 3.28Å; F98-K100 PolarHBondContact O-N 3.1Å |
| 101 | Q | 32.1 | Very low | 29.2 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 77% | 0.771 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -90.7 | -20.4 | -176.8 | -69.3 | -178.1 | -4.6 | 0 | 0 | 113.9 | N103 | Q101-N103 PolarHBondContact O-N 3.24Å |
| 102 | E | 27.2 | Very low | 28.7 | Very low | 116 Ų | 116 | 126 Ų | 126 | 54% | 0.542 | 66% | 0.663 | S | S | . | * | trans | -95.2 | 72.6 | 174.4 | -66.4 | -172.9 | -176.9 | 0 | 0 | 112.1 | ||||
| 103 | N | 27.5 | Very low | 28.4 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 59% | 0.588 | 68% | 0.676 | S | S | * | * | trans | -143.1 | 54.4 | 167.5 | -76 | -77.2 | 0 | 0 | 0 | 112.2 | Q101 | Q101-N103 PolarHBondContact O-N 3.24Š| ||
| 104 | Y | 25.5 | Very low | 28.2 | Very low | 230 Ų | 230 | 132.1 Ų | 132.1 | 90% | 0.902 | 69% | 0.694 | S | S | * | * | trans | -149.6 | 105.6 | 164.3 | -91.8 | -72.2 | 0 | 0 | 0 | 112.9 | ||||
| 105 | A | 25.9 | Very low | 27.8 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | -171.2 | 106.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 106 | P | 28.7 | Very low | 27.8 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | trans | -95.3 | 148.7 | 175.9 | 35.7 | -31.7 | 0 | 0 | 0 | 112.6 | ||||
| 107 | T | 26.7 | Very low | 27.6 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -136.7 | 130.6 | 159.1 | 47.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 108 | M | 23.6 | Very low | 27.3 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 84% | 0.837 | 73% | 0.726 | S | S | * | * | cis | -134.6 | 158.1 | 28.9 | -57.5 | -78 | -167.9 | 0 | 0 | 111.9 | ||||
| 109 | I | 27.8 | Very low | 27.1 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | -172.1 | 129 | 126.5 | -91.7 | 149.5 | 0 | 0 | 0 | 107 | |||||
| 110 | N | 26.1 | Very low | 27 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -97.8 | 137.4 | 162.9 | -135.8 | 0.8 | 0 | 0 | 0 | 105.7 | ||||
| 111 | P | 27.3 | Very low | 26.6 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | -149.5 | 157.2 | 97.9 | 38.1 | -21.7 | 0 | 0 | 0 | 116.4 | |||||
| 112 | A | 21.9 | Very low | 26.5 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | trans | 31 | 135.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 113 | S | 24.1 | Very low | 26.4 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 60.4 | 110.1 | 151.2 | 52.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 114 | F | 28.1 | Very low | 26.3 | Very low | 208 Ų | 208 | 151.6 Ų | 151.6 | 91% | 0.912 | 79% | 0.787 | S | S | * | * | -166.6 | 158.9 | 100.9 | -117.4 | -91.5 | 0 | 0 | 0 | 111.4 | |||||
| 115 | S | 22.9 | Very low | 26.3 | Very low | 88 Ų | 88 | 147.5 Ų | 147.5 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | trans | -111.5 | 172.9 | -174.1 | 46 | 0 | 0 | 0 | 0 | 113 | ||||
| 116 | H | 28.1 | Very low | 26.3 | Very low | 154 Ų | 154 | 153.1 Ų | 153.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 91.4 | 103.9 | 167 | -77 | -92.7 | 0 | 0 | 0 | 120.7 | ||||
| 117 | E | 27.6 | Very low | 26.2 | Very low | 145 Ų | 145 | 155.3 Ų | 155.3 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | 73.2 | 113.4 | 116.4 | -71.1 | -169.4 | 128.5 | 0 | 0 | 124.4 | |||||
| 118 | N | 25.5 | Very low | 26.2 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | 76.3 | 134 | 118.7 | -70.8 | -25.7 | 0 | 0 | 0 | 123.7 | |||||
| 119 | N | 25.8 | Very low | 26.4 | Very low | 133 Ų | 133 | 155 Ų | 155 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 71.6 | 97.9 | 147.1 | -62.7 | -24.5 | 0 | 0 | 0 | 120 | ||||
| 120 | N | 30 | Very low | 26.4 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | -155.6 | 125.9 | 100.6 | -110.3 | -34.6 | 0 | 0 | 0 | 113.3 | |||||
| 121 | K | 26.7 | Very low | 26.5 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -97.3 | 118.5 | 170.1 | -75.5 | 177 | 178.4 | 172.1 | 0 | 109.2 | ||||
| 122 | Q | 30.4 | Very low | 26.7 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -162.1 | 120.9 | 138.9 | -113.6 | 172.7 | 74 | 0 | 0 | 113.3 | ||||
| 123 | R | 24.4 | Very low | 27.1 | Very low | 228 Ų | 228 | 147.8 Ų | 147.8 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | 36.9 | 90.2 | 155 | -71.9 | 179.2 | 162.3 | 175.8 | -5.7 | 118.5 | ||||
| 124 | F | 26 | Very low | 27.4 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | -138.1 | 118.5 | 129.3 | -101.3 | -83.2 | 0 | 0 | 0 | 108.9 | R126 | F124-R126 PolarHBondContact O-N 3.01Å; F124-R126 VanDerWaalsContact O-N 3.1Å | |||
| 125 | V | 24.2 | Very low | 27.5 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | trans | -76.1 | 96.2 | 169 | 179.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 126 | R | 25.8 | Very low | 28 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 82% | 0.823 | 72% | 0.715 | S | S | * | * | trans | -99.7 | 115.8 | 162.7 | -79.6 | -173.2 | 175.1 | 178.1 | -0.3 | 107.9 | F124 T128 | F124-R126 PolarHBondContact O-N 3.01Å; F124-R126 VanDerWaalsContact O-N 3.1Å; R126-T128 PolarHBondContact O-N 3.42Å | ||
| 127 | E | 26.5 | Very low | 28 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | trans | -58.8 | 118.4 | 172.8 | -62.9 | 174.5 | 152.9 | 0 | 0 | 109.3 | Q129 | E127-Q129 PolarHBondContact O-N 3.41Š| ||
| 128 | T | 27 | Very low | 27.8 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -73.6 | 97.4 | 174 | 48.2 | 0 | 0 | 0 | 0 | 108.9 | R126 | R126-T128 PolarHBondContact O-N 3.42Š| ||
| 129 | Q | 28.1 | Very low | 27.9 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 127.5 | 165 | -74.2 | -67.4 | -46.5 | 0 | 0 | 108.8 | E127 | E127-Q129 PolarHBondContact O-N 3.41Š|
| 130 | P | 28.2 | Very low | 27.9 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 45% | 0.448 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 149.2 | -179.1 | 27.9 | -33.4 | 0 | 0 | 0 | 111 | K134 | P130-K134 HydrophobicContact CB-CB 4.49Š|
| 131 | S | 28.4 | Very low | 28 | Very low | 75 Ų | 75 | 143 Ų | 143 | 52% | 0.524 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 145.7 | 177.5 | 49.7 | 0 | 0 | 0 | 0 | 112 | D133 K134 | S131-D133 PolarHBondContact O-N 3.07Å; S131-K134 WeakPolarHBondContact O-CB 3.48Å; S131-K134 PolarHBondContact O-N 3.14Å |
| 132 | L | 31.6 | Very low | 28 | Very low | 85 Ų | 85 | 139.5 Ų | 139.5 | 45% | 0.445 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -51 | -35.7 | -176.4 | -171.8 | 71.4 | 0 | 0 | 0 | 113.1 | K134 L135 | L132-K134 PolarHBondContact O-N 2.81Å; L132-L135 PolarHBondContact O-N 3.01Å; L132-L135 VanDerWaalsContact O-N 3.16Å |
| 133 | D | 29 | Very low | 27.8 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -61.6 | -27.7 | 178.4 | -56.9 | -58.5 | 0 | 0 | 0 | 113.3 | S131 | S131-D133 PolarHBondContact O-N 3.07Å |
| 134 | K | 31.9 | Very low | 27.8 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 53% | 0.53 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -83.4 | -20.7 | 178.3 | -131 | 170.1 | -172.4 | 173.9 | 0 | 113.6 | P130 S131 L132 I136 | P130-K134 HydrophobicContact CB-CB 4.49Å; S131-K134 WeakPolarHBondContact O-CB 3.48Å; S131-K134 PolarHBondContact O-N 3.14Å; L132-K134 PolarHBondContact O-N 2.81Å; K134-I136 VanDerWaalsContact C-N 3.27Å |
| 135 | L | 29.5 | Very low | 27.8 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 55% | 0.55 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -76.7 | -14.5 | 172.9 | -70.8 | 169.6 | 0 | 0 | 0 | 112.8 | L132 | L132-L135 PolarHBondContact O-N 3.01Å; L132-L135 VanDerWaalsContact O-N 3.16Å |
| 136 | I | 32.6 | Very low | 27.9 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -18.2 | 176.8 | -64 | 173 | 0 | 0 | 0 | 111.5 | K134 | K134-I136 VanDerWaalsContact C-N 3.27Š|
| 137 | E | 28.9 | Very low | 27.9 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -25 | -177.2 | -162.5 | 170.3 | -149.3 | 0 | 0 | 113.4 | G139 | E137-G139 PolarHBondContact O-N 2.77Š|
| 138 | M | 23.6 | Very low | 27.9 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 61% | 0.611 | 67% | 0.669 | S | S | * | * | trans | -88.1 | 85.1 | -178 | -66.3 | -171.7 | 70.8 | 0 | 0 | 112.7 | Y140 | M138-Y140 VanDerWaalsContact C-N 3.33Å; M138-Y140 HydrophobicContact CB-CD2 4.34Å; M138-Y140 HydrophobicContact CE-CD2 4.31Å; M138-Y140 HydrophobicContact CE-CE2 3.88Å; M138-Y140 PolarHBondContact O-N 3.46Å | ||
| 139 | G | 27.4 | Very low | 28 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | trans | -66.9 | 75.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E137 P141 | E137-G139 PolarHBondContact O-N 2.77Å; G139-P141 WeakPolarHBondContact O-CD 3.44Å | ||
| 140 | Y | 25.5 | Very low | 28 | Very low | 183 Ų | 183 | 122.3 Ų | 122.3 | 72% | 0.718 | 65% | 0.653 | S | S | * | * | trans | -100.8 | 118.2 | 176.5 | -90.9 | -85 | 0 | 0 | 0 | 113.8 | M138 | M138-Y140 VanDerWaalsContact C-N 3.33Å; M138-Y140 HydrophobicContact CB-CD2 4.34Å; M138-Y140 HydrophobicContact CE-CD2 4.31Å; M138-Y140 HydrophobicContact CE-CE2 3.88Å; M138-Y140 PolarHBondContact O-N 3.46Å | ||
| 141 | P | 32.2 | Very low | 27.9 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 66% | 0.658 | S | S | * | * | trans | -84 | 118.9 | 155.6 | 32.2 | -26.2 | 0 | 0 | 0 | 108.8 | G139 | G139-P141 WeakPolarHBondContact O-CD 3.44Š| ||
| 142 | N | 27.1 | Very low | 27.9 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 65% | 0.652 | 66% | 0.663 | S | S | * | * | trans | -152.3 | 120.2 | 159.9 | -123 | -23.1 | 0 | 0 | 0 | 116 | H144 | N142-H144 PolarHBondContact O-N 3.39Š| ||
| 143 | Q | 26.8 | Very low | 27.8 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 12.4 | 71.9 | 132.1 | -53.1 | 176.8 | 9.1 | 0 | 0 | 117.9 | ||
| 144 | H | 23.9 | Very low | 27.7 | Very low | 180 Ų | 180 | 128.4 Ų | 128.4 | 83% | 0.833 | 68% | 0.675 | S | S | * | * | trans | -177.5 | 120 | 136.1 | -108.1 | -86.2 | 0 | 0 | 0 | 107 | N142 P146 | N142-H144 PolarHBondContact O-N 3.39Å; H144-P146 WeakPolarHBondContact O-CD 3.43Å | ||
| 145 | C | 25.4 | Very low | 27.5 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | trans | -111.5 | 96.4 | 178.8 | -173.2 | 0 | 0 | 0 | 0 | 110 | Y147 | C145-Y147 PolarHBondContact O-N 3.23Š| ||
| 146 | P | 26.1 | Very low | 27.3 | Very low | 98 Ų | 98 | 129 Ų | 129 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | -100.7 | 42.3 | -170.9 | 40.5 | -36.2 | 0 | 0 | 0 | 113 | H144 | H144-P146 WeakPolarHBondContact O-CD 3.43Š| ||
| 147 | Y | 26 | Very low | 27 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -134.4 | 143.5 | 172.7 | -72.1 | -72.8 | 0 | 0 | 0 | 113.9 | C145 | C145-Y147 PolarHBondContact O-N 3.23Š|
| 148 | P | 26.9 | Very low | 26.9 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 66% | 0.656 | 67% | 0.672 | S | S | * | * | trans | -73.2 | 133.4 | 177.3 | -12.5 | 29 | 0 | 0 | 0 | 111.2 | D150 | P148-D150 PolarHBondContact O-N 2.98Š| ||
| 149 | L | 28.8 | Very low | 26.9 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 53% | 0.534 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | 13.9 | -172 | -129.7 | 90.2 | 0 | 0 | 0 | 114.5 | H151 | L149-H151 PolarHBondContact O-N 3.41Š|
| 150 | D | 27.8 | Very low | 26.9 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 68% | 0.684 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -2.1 | -166.2 | -65.7 | -19.8 | 0 | 0 | 0 | 114.5 | P148 | P148-D150 PolarHBondContact O-N 2.98Š|
| 151 | H | 27 | Very low | 26.9 | Very low | 118 Ų | 118 | 127 Ų | 127 | 55% | 0.546 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -112.5 | -10.2 | -170.3 | -148.9 | 61 | 0 | 0 | 0 | 116.6 | L149 H153 | L149-H151 PolarHBondContact O-N 3.41Å; H151-H153 PolarHBondContact O-N 3.5Å |
| 152 | L | 27.2 | Very low | 26.9 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 62% | 0.623 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -20.4 | -168.1 | -161.7 | 61.3 | 0 | 0 | 0 | 115 | F156 | L152-F156 HydrophobicContact CD1-CE2 3.98Å; L152-F156 HydrophobicContact CG-CE2 4.32Å; L152-F156 VanDerWaalsContact O-CD2 3.27Å; L152-F156 WeakPolarHBondContact O-CD2 3.37Å |
| 153 | H | 30 | Very low | 26.8 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 67% | 0.671 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -9.7 | -179.9 | -90.8 | 99.1 | 0 | 0 | 0 | 114.8 | H151 | H151-H153 PolarHBondContact O-N 3.5Š|
| 154 | S | 27.4 | Very low | 27 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -90.3 | -12.9 | -175.1 | -167.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 155 | Q | 27.2 | Very low | 27.1 | Very low | 125 Ų | 125 | 112.3 Ų | 112.3 | 58% | 0.584 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -110.9 | -0.9 | -178.2 | -69 | -169.2 | 2.2 | 0 | 0 | 114.1 | Q157 | Q155-Q157 VanDerWaalsContact C-N 3.26Å; Q155-Q157 PolarHBondContact O-N 2.87Å |
| 156 | F | 25.2 | Very low | 27.4 | Very low | 115 Ų | 115 | 111.5 Ų | 111.5 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | trans | -84.1 | 68.3 | 175.3 | -81.9 | -108.7 | 0 | 0 | 0 | 111.1 | L152 F158 | L152-F156 HydrophobicContact CD1-CE2 3.98Å; L152-F156 HydrophobicContact CG-CE2 4.32Å; L152-F156 VanDerWaalsContact O-CD2 3.27Å; L152-F156 WeakPolarHBondContact O-CD2 3.37Å; F156-F158 HydrophobicContact CB-CD2 4.27Å; F156-F158 HydrophobicContact CD1-CB 4.43Å; F156-F158 AromaticContact CD1-CD2 3.17Å; F156-F158 HydrophobicContact CD1-CD2 3.17Å; F156-F158 AromaticContact CD1-CE2 3.55Å; F156-F158 HydrophobicContact CD1-CE2 3.55Å; F156-F158 AromaticContact CD1-CG 3.95Å; F156-F158 HydrophobicContact CD1-CG 3.95Å; F156-F158 AromaticContact CE1-CD2 3.69Å; F156-F158 HydrophobicContact CE1-CD2 3.69Å; F156-F158 AromaticContact CE1-CE2 3.53Å; F156-F158 HydrophobicContact CE1-CE2 3.53Å; F156-F158 HydrophobicContact CE1-CZ 4.36Å; F156-F158 AromaticContact CG-CD2 3.99Å; F156-F158 HydrophobicContact CG-CD2 3.99Å; F156-F158 PolarHBondContact O-N 2.95Å | ||
| 157 | Q | 26.5 | Very low | 27.4 | Very low | 195 Ų | 195 | 112 Ų | 112 | 91% | 0.911 | 58% | 0.579 | S | S | * | * | trans | -67.4 | 68.1 | 150.2 | -79.1 | -173.6 | -21 | 0 | 0 | 108.5 | Q155 N159 | Q155-Q157 VanDerWaalsContact C-N 3.26Å; Q155-Q157 PolarHBondContact O-N 2.87Å; Q157-N159 PolarHBondContact O-N 3.18Å | ||
| 158 | F | 26.9 | Very low | 27.5 | Very low | 109 Ų | 109 | 106.9 Ų | 106.9 | 48% | 0.478 | 57% | 0.567 | S | S | . | * | trans | -86.8 | 110.5 | 179 | -114.2 | -98.6 | 0 | 0 | 0 | 110.2 | F156 Q160 Y339 | F156-F158 HydrophobicContact CB-CD2 4.27Å; F156-F158 HydrophobicContact CD1-CB 4.43Å; F156-F158 AromaticContact CD1-CD2 3.17Å; F156-F158 HydrophobicContact CD1-CD2 3.17Å; F156-F158 AromaticContact CD1-CE2 3.55Å; F156-F158 HydrophobicContact CD1-CE2 3.55Å; F156-F158 AromaticContact CD1-CG 3.95Å; F156-F158 HydrophobicContact CD1-CG 3.95Å; F156-F158 AromaticContact CE1-CD2 3.69Å; F156-F158 HydrophobicContact CE1-CD2 3.69Å; F156-F158 AromaticContact CE1-CE2 3.53Å; F156-F158 HydrophobicContact CE1-CE2 3.53Å; F156-F158 HydrophobicContact CE1-CZ 4.36Å; F156-F158 AromaticContact CG-CD2 3.99Å; F156-F158 HydrophobicContact CG-CD2 3.99Å; F156-F158 PolarHBondContact O-N 2.95Å; F158-Q160 PolarHBondContact O-N 3.42Å; F158-Y339 HydrophobicContact CE1-CD2 4.36Å; F158-Y339 AromaticContact CE1-CE2 3.58Å; F158-Y339 HydrophobicContact CE1-CE2 3.58Å; F158-Y339 AromaticContact CZ-CE2 3.58Å; F158-Y339 HydrophobicContact CZ-CE2 3.58Å; F158-Y339 AromaticContact CZ-CZ 3.89Å | ||
| 159 | N | 24 | Very low | 27.4 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 56% | 0.556 | 58% | 0.578 | S | S | * | * | trans | -37.3 | 134.4 | 169.1 | -87.3 | -49.2 | 0 | 0 | 0 | 112.1 | Q157 S161 | Q157-N159 PolarHBondContact O-N 3.18Å; N159-S161 PolarHBondContact O-N 2.82Å; N159-S161 PolarHBondContact O-OG 3.48Å | ||
| 160 | Q | 26.6 | Very low | 27.2 | Very low | 138 Ų | 138 | 116 Ų | 116 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -42.4 | 99.1 | -177.7 | -59.6 | 171.2 | 14.3 | 0 | 0 | 112.1 | F158 D245 | F158-Q160 PolarHBondContact O-N 3.42Å; Q160-D245 PolarHBondContact NE2-OD1 3.36Å |
| 161 | S | 25.7 | Very low | 27 | Very low | 92 Ų | 92 | 119 Ų | 119 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | trans | -146.5 | 66.1 | 177.7 | 42.6 | 0 | 0 | 0 | 0 | 111.5 | N159 | N159-S161 PolarHBondContact O-N 2.82Å; N159-S161 PolarHBondContact O-OG 3.48Å | ||
| 162 | R | 31.9 | Very low | 26.9 | Very low | 139 Ų | 139 | 120 Ų | 120 | 53% | 0.525 | 59% | 0.594 | S | S | . | * | trans | 31.3 | 94 | 154.2 | -146.8 | 175.8 | -162 | -173.5 | 4.5 | 116.8 | P164 V231 I232 | R162-P164 HydrophobicContact CG-CG 4.39Å; R162-V231 PolarHBondContact NE-O 2.93Å; R162-V231 PolarHBondContact NH2-O 3.45Å; R162-I232 PolarHBondContact NH2-O 3.42Å | ||
| 163 | C | 26 | Very low | 26.8 | Very low | 65 Ų | 65 | 118.9 Ų | 118.9 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | trans | -125.2 | 92 | 169.7 | -138.5 | 0 | 0 | 0 | 0 | 112.3 | S165 C335 R338 | C163-S165 VanDerWaalsContact C-N 3.32Å; C163-S165 PolarHBondContact O-N 3.22Å; C163-C335 VanDerWaalsContact SG-SG 3.62Å; C163-R338 PolarHBondContact SG-NH1 2.94Å | ||
| 164 | P | 30 | Very low | 26.5 | Very low | 36 Ų | 36 | 118.3 Ų | 118.3 | 23% | 0.234 | 60% | 0.6 | C | S | . | * | trans | -84.6 | 9.9 | -172.2 | -17.3 | 35.5 | 0 | 0 | 0 | 116.1 | R162 K217 I232 | R162-P164 HydrophobicContact CG-CG 4.39Å; P164-K217 PolarHBondContact O-NZ 2.9Å; P164-I232 HydrophobicContact CB-CD1 3.53Å; P164-I232 HydrophobicContact CB-CG1 4.04Å; P164-I232 HydrophobicContact CB-CG2 4.22Å; P164-I232 HydrophobicContact CG-CD1 3.51Å; P164-I232 HydrophobicContact CG-CG1 4.31Å; P164-I232 HydrophobicContact CG-CG2 4.06Å | ||
| 165 | S | 27.1 | Very low | 26.4 | Very low | 42 Ų | 42 | 119.1 Ų | 119.1 | 29% | 0.294 | 60% | 0.601 | S | S | . | * | trans | -117.3 | 40.6 | -149 | -52.9 | 0 | 0 | 0 | 0 | 115.6 | C163 R338 | C163-S165 VanDerWaalsContact C-N 3.32Å; C163-S165 PolarHBondContact O-N 3.22Å; S165-R338 PolarHBondContact OG-NH1 3.45Å; S165-R338 PolarHBondContact OG-NH2 3.07Å | ||
| 166 | T | 30.4 | Very low | 26.4 | Very low | 87 Ų | 87 | 122 Ų | 122 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | trans | -138.1 | 62.3 | 163.6 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | T168 | T166-T168 PolarHBondContact O-N 3.48Š| ||
| 167 | T | 27.1 | Very low | 26.4 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | trans | -80.5 | 61 | 158.6 | -42.6 | 0 | 0 | 0 | 0 | 108.7 | R169 K217 | T167-R169 PolarHBondContact O-N 2.8Å; T167-K217 PolarHBondContact OG1-NZ 3.42Å; T167-K217 VanDerWaalsContact OG1-NZ 3.11Å | ||
| 168 | T | 27.7 | Very low | 26.4 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 46% | 0.46 | 61% | 0.61 | S | S | . | * | trans | -61.4 | 126.4 | 170.9 | 45.7 | 0 | 0 | 0 | 0 | 108.1 | T166 Y170 W307 | T166-T168 PolarHBondContact O-N 3.48Å; T168-Y170 VanDerWaalsContact C-N 3.28Å; T168-Y170 PolarHBondContact O-N 2.9Å; T168-W307 HydrophobicContact CG2-CH2 4.26Å | ||
| 169 | R | 24.7 | Very low | 26.4 | Very low | 237 Ų | 237 | 125 Ų | 125 | 89% | 0.894 | 63% | 0.629 | S | S | * | * | trans | -62 | 83.1 | -175.3 | -172.4 | -170.8 | -69 | 179.6 | -0.9 | 111 | T167 K171 | T167-R169 PolarHBondContact O-N 2.8Å; R169-K171 PolarHBondContact O-N 3.47Å | ||
| 170 | Y | 24.6 | Very low | 26.5 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 62% | 0.616 | 64% | 0.642 | S | S | * | * | trans | -76 | 113.1 | 173 | -153.2 | -97 | 0 | 0 | 0 | 107.9 | T168 E172 | T168-Y170 VanDerWaalsContact C-N 3.28Å; T168-Y170 PolarHBondContact O-N 2.9Å; Y170-E172 HydrophobicContact CD1-CG 4.07Å; Y170-E172 PolarHBondContact O-N 2.85Å | ||
| 171 | K | 24.3 | Very low | 26.7 | Very low | 190 Ų | 190 | 127 Ų | 127 | 83% | 0.826 | 65% | 0.65 | S | S | * | * | trans | -74.9 | 108.7 | 155.5 | -77.9 | -174.2 | 174.4 | -175.4 | 0 | 105.3 | R169 P173 | R169-K171 PolarHBondContact O-N 3.47Å; K171-P173 WeakPolarHBondContact O-CD 3Å | ||
| 172 | E | 24.5 | Very low | 26.7 | Very low | 141 Ų | 141 | 129 Ų | 129 | 66% | 0.659 | 66% | 0.658 | S | S | * | * | trans | -58.2 | 125.3 | 167 | -70.4 | 169.6 | 138.9 | 0 | 0 | 107.8 | Y170 T174 | Y170-E172 HydrophobicContact CD1-CG 4.07Å; Y170-E172 PolarHBondContact O-N 2.85Å; E172-T174 PolarHBondContact O-N 3.3Å | ||
| 173 | P | 24.4 | Very low | 26.2 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 61% | 0.61 | 67% | 0.673 | S | S | * | * | trans | -62.6 | 121.3 | 155.3 | -10.6 | 26.7 | 0 | 0 | 0 | 106 | K171 V175 | K171-P173 WeakPolarHBondContact O-CD 3Å; P173-V175 PolarHBondContact O-N 3.35Å | ||
| 174 | T | 24.1 | Very low | 26.3 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 69% | 0.692 | S | S | * | * | trans | -67.4 | 87.7 | 168.7 | 46.8 | 0 | 0 | 0 | 0 | 108.1 | E172 R176 | E172-T174 PolarHBondContact O-N 3.3Å; T174-R176 PolarHBondContact O-N 2.9Å | ||
| 175 | V | 26.1 | Very low | 26.1 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | trans | -69 | 90.8 | 164.3 | -178.5 | 0 | 0 | 0 | 0 | 106.2 | P173 | P173-V175 PolarHBondContact O-N 3.35Š| ||
| 176 | R | 26.6 | Very low | 26.2 | Very low | 187 Ų | 187 | 146 Ų | 146 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -64.2 | 136.3 | 152.3 | -73.5 | -169.8 | 177.6 | -176.6 | -0.6 | 106.9 | T174 E178 | T174-R176 PolarHBondContact O-N 2.9Å; R176-E178 HydrophobicContact CB-CG 4.22Å; R176-E178 WeakPolarHBondContact CD-OE1 3.42Å; R176-E178 IonicContact CZ-OE1 3.84Å; R176-E178 IonicContact NE-OE1 3.58Å; R176-E178 IonicContact NH1-OE1 2.89Å; R176-E178 PolarHBondContact NH1-OE1 3.12Å; R176-E178 PolarHBondContact O-N 3.47Å | ||
| 177 | N | 24.5 | Very low | 25.9 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -73.7 | 87.8 | 161 | -61.4 | -25.8 | 0 | 0 | 0 | 106.3 | ||||
| 178 | E | 26.8 | Very low | 26.1 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | trans | -111.7 | 142.5 | 161.7 | -75 | 170.6 | -159.1 | 0 | 0 | 106.5 | R176 | R176-E178 HydrophobicContact CB-CG 4.22Å; R176-E178 WeakPolarHBondContact CD-OE1 3.42Å; R176-E178 IonicContact CZ-OE1 3.84Å; R176-E178 IonicContact NE-OE1 3.58Å; R176-E178 IonicContact NH1-OE1 2.89Å; R176-E178 PolarHBondContact NH1-OE1 3.12Å; R176-E178 PolarHBondContact O-N 3.47Å | ||
| 179 | E | 27.7 | Very low | 26.1 | Very low | 186 Ų | 186 | 157.9 Ų | 157.9 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 172.4 | -151.5 | -63 | 169.2 | 147.3 | 0 | 0 | 113.3 | P181 | E179-P181 WeakPolarHBondContact O-CD 3.41Š| ||
| 180 | N | 25.1 | Very low | 26.4 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -53.8 | 131.3 | 178.5 | -60.9 | -65.1 | 0 | 0 | 0 | 112 | ||||
| 181 | P | 30.6 | Very low | 26.5 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -97.4 | 108.2 | 156.1 | 15.6 | 2.7 | 0 | 0 | 0 | 109.5 | E179 | E179-P181 WeakPolarHBondContact O-CD 3.41Š| ||
| 182 | V | 26.2 | Very low | 27.1 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -78.6 | 141.1 | 159.1 | 172.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 183 | Y | 22.3 | Very low | 27.5 | Very low | 211 Ų | 211 | 150.8 Ų | 150.8 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -61.1 | 133.2 | 176.8 | -101.4 | -101.6 | 0 | 0 | 0 | 112.8 | ||||
| 184 | S | 27.3 | Very low | 27.7 | Very low | 119 Ų | 119 | 155.4 Ų | 155.4 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | -169.9 | 150.5 | 125.1 | 46.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 185 | E | 25.5 | Very low | 28 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | trans | -84.8 | 154.7 | -172.4 | -61 | 159.2 | 153.6 | 0 | 0 | 112 | ||||
| 186 | T | 30.1 | Very low | 28.4 | Very low | 142 Ų | 142 | 156.2 Ų | 156.2 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | -174.3 | 147.4 | 123 | 19 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 187 | D | 24.9 | Very low | 28.5 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -70.9 | 145.4 | -176.2 | -54.6 | -84.1 | 0 | 0 | 0 | 113.5 | ||||
| 188 | N | 30.2 | Very low | 28.8 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -153.3 | 145.6 | 130.3 | -115.5 | -45.4 | 0 | 0 | 0 | 114.4 | ||||
| 189 | K | 27.2 | Very low | 29.1 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -99.9 | 119.5 | -164.7 | 173.5 | -174.5 | -179.1 | 180 | 0 | 110.7 | ||||
| 190 | S | 30.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -149.6 | 124.6 | 162 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 191 | S | 27.9 | Very low | 29.8 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -75.8 | 129.4 | -178 | -51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 192 | I | 35.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -128.5 | 135.7 | 149.1 | -61.6 | -176.6 | 0 | 0 | 0 | 107.1 | ||||
| 193 | Q | 34.1 | Very low | 30.4 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -75.6 | 135 | -171.9 | -67 | 156.2 | -45.5 | 0 | 0 | 110.8 | ||||
| 194 | E | 27.2 | Very low | 31.1 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -87.4 | 110.5 | 170.6 | -66.8 | -169.2 | 162 | 0 | 0 | 110.2 | P196 | E194-P196 WeakPolarHBondContact O-CD 3.4Š| ||
| 195 | D | 31.8 | Very low | 31.5 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -83.1 | 117.9 | 164.7 | -101.4 | -37.6 | 0 | 0 | 0 | 110 | S197 | D195-S197 PolarHBondContact O-N 2.77Š| ||
| 196 | P | 33.4 | Very low | 32.3 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -81.3 | 55.7 | -179.2 | 34 | -36.1 | 0 | 0 | 0 | 112.2 | E194 | E194-P196 WeakPolarHBondContact O-CD 3.4Š|
| 197 | S | 28.7 | Very low | 33.1 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -142.3 | 32.1 | -171.1 | 63.5 | 0 | 0 | 0 | 0 | 115.4 | D195 | D195-S197 PolarHBondContact O-N 2.77Š| ||
| 198 | S | 30.7 | Very low | 34.5 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -146.7 | 12 | 169 | 53.2 | 0 | 0 | 0 | 0 | 117.5 | N200 | S198-N200 VanDerWaalsContact C-N 3.29Å; S198-N200 PolarHBondContact O-N 3.38Å | ||
| 199 | L | 34.1 | Very low | 36.8 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 97% | 0.974 | 77% | 0.767 | S | S | * | * | trans | -87.6 | 50.6 | 170.5 | -81.8 | 168.9 | 0 | 0 | 0 | 113.6 | ||||
| 200 | N | 30.5 | Very low | 39.8 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -145.8 | 55.2 | 164.7 | -161.1 | 1.8 | 0 | 0 | 0 | 113.1 | S198 N202 | S198-N200 VanDerWaalsContact C-N 3.29Å; S198-N200 PolarHBondContact O-N 3.38Å; N200-N202 VanDerWaalsContact C-N 3.31Å; N200-N202 PolarHBondContact O-N 2.74Å | ||
| 201 | K | 36.1 | Very low | 42.7 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | -72.6 | 93.8 | 158.5 | -81.8 | -175.1 | 178.1 | 173.9 | 0 | 108.9 | S203 | K201-S203 PolarHBondContact O-N 2.96Š| ||
| 202 | N | 31.6 | Very low | 45.7 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -20.8 | 95 | 166.3 | -99.9 | -26.1 | 0 | 0 | 0 | 113.7 | N200 N204 | N200-N202 VanDerWaalsContact C-N 3.31Å; N200-N202 PolarHBondContact O-N 2.74Å; N202-N204 PolarHBondContact O-N 2.92Å | ||
| 203 | S | 37.6 | Very low | 48.3 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -95.2 | 48.7 | 156 | 51 | 0 | 0 | 0 | 0 | 109.5 | K201 C205 | K201-S203 PolarHBondContact O-N 2.96Å; S203-C205 PolarHBondContact O-N 2.86Å | ||
| 204 | N | 37.1 | Very low | 50.9 | Low | 117 Ų | 117 | 127 Ų | 127 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | trans | -71.2 | 52.1 | 164 | -171.2 | 16.8 | 0 | 0 | 0 | 110.5 | N202 K206 | N202-N204 PolarHBondContact O-N 2.92Å; N204-K206 PolarHBondContact O-N 3.28Å | ||
| 205 | C | 35.4 | Very low | 53.8 | Low | 97 Ų | 97 | 120 Ų | 120 | 66% | 0.655 | 65% | 0.652 | S | S | * | * | trans | -71.8 | 90.6 | 157.8 | -174.1 | 0 | 0 | 0 | 0 | 106.1 | S203 S207 | S203-C205 PolarHBondContact O-N 2.86Å; C205-S207 PolarHBondContact O-N 3.33Å | ||
| 206 | K | 43.7 | Very low | 56.5 | Low | 177 Ų | 177 | 122.6 Ų | 122.6 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | trans | -57.5 | 77.6 | 152.1 | -80.2 | -178.7 | 178.1 | 179.6 | 0 | 107.3 | N204 E208 | N204-K206 PolarHBondContact O-N 3.28Å; K206-E208 PolarHBondContact O-N 2.79Å | ||
| 207 | S | 46 | Very low | 59.1 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | trans | -71.3 | 89 | 172.5 | 39.3 | 0 | 0 | 0 | 0 | 106.4 | C205 K209 | C205-S207 PolarHBondContact O-N 3.33Å; S207-K209 PolarHBondContact O-N 2.82Å | ||
| 208 | E | 54.2 | Low | 62.2 | Low | 171 Ų | 171 | 121.6 Ų | 121.6 | 80% | 0.799 | 63% | 0.63 | S | S | * | * | trans | -54.8 | 103.8 | 168.3 | -72.3 | -170.6 | 140.3 | 0 | 0 | 107.8 | K206 F210 | K206-E208 PolarHBondContact O-N 2.79Å; E208-F210 PolarHBondContact O-N 3.17Å; E208-F210 VanDerWaalsContact O-N 3.16Å | ||
| 209 | K | 78.2 | Confident | 65 | Low | 136 Ų | 136 | 118 Ų | 118 | 59% | 0.591 | 60% | 0.601 | S | S | * | * | trans | -72.1 | 113.4 | -179.5 | -62.6 | 173.7 | -175.7 | 163 | 0 | 106.8 | S207 A211 K218 F219 | S207-K209 PolarHBondContact O-N 2.82Å; K209-A211 PolarHBondContact O-N 3.01Å; K209-K218 HydrophobicContact CB-CB 3.85Å; K209-F219 CarbonylContact C-O 3.57Å; K209-F219 WeakPolarHBondContact CA-O 3.47Å | ||
| 210 | F | 90.8 | Very high | 67.8 | Low | 88 Ų | 88 | 115.8 Ų | 115.8 | 39% | 0.386 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -52.5 | 105 | 178.4 | -61.5 | -85.7 | 0 | 0 | 0 | 109.7 | E208 K218 F219 K222 L225 | E208-F210 PolarHBondContact O-N 3.17Å; E208-F210 VanDerWaalsContact O-N 3.16Å; F210-K218 CarbonylContact O-C 3.59Å; F210-K218 WeakPolarHBondContact O-CA 3.37Å; F210-F219 PolarHBondContact N-O 3.03Å; F210-F219 VanDerWaalsContact N-O 3.1Å; F210-F219 PolarHBondContact O-N 3.21Å; F210-K222 HydrophobicContact CD1-CB 3.88Å; F210-K222 HydrophobicContact CD1-CG 4.27Å; F210-K222 VanDerWaalsContact CD2-N 3.32Å; F210-K222 HydrophobicContact CE1-CB 3.83Å; F210-K222 HydrophobicContact CE1-CD 4.47Å; F210-K222 HydrophobicContact CE1-CG 4.39Å; F210-K222 HydrophobicContact CG-CB 4.26Å; F210-K222 HydrophobicContact CZ-CB 4.16Å; F210-L225 HydrophobicContact CB-CB 4.13Å; F210-L225 HydrophobicContact CB-CD2 3.82Å |
| 211 | A | 91.9 | Very high | 70.7 | Confident | 51 Ų | 51 | 112 Ų | 112 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 148.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K209 K218 L225 | K209-A211 PolarHBondContact O-N 3.01Å; A211-K218 HydrophobicContact CB-CD 4.48Å; A211-K218 HydrophobicContact CB-CG 4.05Å; A211-L225 VanDerWaalsContact O-CD2 3.24Å; A211-L225 WeakPolarHBondContact O-CD2 3.4Å |
| 212 | C | 90.3 | Very high | 73.4 | Confident | 11 Ų | 11 | 109.7 Ų | 109.7 | 7% | 0.074 | 56% | 0.555 | C | S | . | * | trans | -81.9 | 138 | 167.4 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | H214 C215 K217 F219 L225 H233 | C212-H214 VanDerWaalsContact C-N 3.33Å; C212-H214 PolarHBondContact SG-N 3.14Å; C212-C215 CarbonylContact C-O 3.57Å; C212-C215 WeakPolarHBondContact CB-O 3.46Å; C212-K217 PolarHBondContact N-O 2.9Å; C212-F219 HydrophobicContact CB-CE2 4.46Å; C212-L225 HydrophobicContact CB-CD1 3.67Å; C212-H233 VanDerWaalsContact SG-CD2 3.59Å; C212-H233 PolarHBondContact SG-NE2 3.48Å | ||
| 213 | E | 91.9 | Very high | 76.2 | Confident | 185 Ų | 185 | 107.2 Ų | 107.2 | 86% | 0.864 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -78.4 | -22.3 | 177.1 | -67 | 168.9 | -161.4 | 0 | 0 | 111.8 | ||
| 214 | H | 87.2 | Confident | 78.6 | Confident | 123 Ų | 123 | 107.1 Ų | 107.1 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -99.3 | -7.1 | -178.5 | -47.9 | -53.4 | 0 | 0 | 0 | 113.9 | C212 H233 | C212-H214 VanDerWaalsContact C-N 3.33Å; C212-H214 PolarHBondContact SG-N 3.14Å; H214-H233 VanDerWaalsContact CB-CE1 3.43Å; H214-H233 WeakPolarHBondContact CB-CE1 3.24Å; H214-H233 AromaticContact CD2-CD2 3.89Å; H214-H233 AromaticContact CD2-CG 3.87Å |
| 215 | C | 89.1 | Confident | 81.2 | Confident | 43 Ų | 43 | 102.9 Ų | 102.9 | 29% | 0.291 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -160.9 | 164.6 | 170 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | C212 K217 H228 | C212-C215 CarbonylContact C-O 3.57Å; C212-C215 WeakPolarHBondContact CB-O 3.46Å; C215-K217 PolarHBondContact O-N 2.9Å; C215-H228 PolarHBondContact SG-NE2 3.25Å |
| 216 | E | 89 | Confident | 83.9 | Confident | 192 Ų | 192 | 102.3 Ų | 102.3 | 90% | 0.897 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -65.5 | 2.7 | -174.8 | -57.4 | 178.3 | 176.1 | 0 | 0 | 116.1 | ||
| 217 | K | 88.1 | Confident | 86 | Confident | 59 Ų | 59 | 97 Ų | 97 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | trans | -73.2 | 140.4 | -178.1 | -72.7 | -158.7 | 175.3 | -162.7 | 0 | 112.4 | P164 T167 C212 C215 F219 | P164-K217 PolarHBondContact O-NZ 2.9Å; T167-K217 PolarHBondContact OG1-NZ 3.42Å; T167-K217 VanDerWaalsContact OG1-NZ 3.11Å; C212-K217 PolarHBondContact N-O 2.9Å; C215-K217 PolarHBondContact O-N 2.9Å; K217-F219 HydrophobicContact CB-CE2 3.6Å; K217-F219 HydrophobicContact CB-CZ 3.74Å; K217-F219 HydrophobicContact CD-CZ 3.95Å | ||
| 218 | K | 93 | Very high | 88 | Confident | 145 Ų | 145 | 94 Ų | 94 | 63% | 0.63 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.7 | 177.4 | -53 | -172.4 | -180 | -175.8 | 0 | 110.8 | K209 F210 A211 | K209-K218 HydrophobicContact CB-CB 3.85Å; F210-K218 CarbonylContact O-C 3.59Å; F210-K218 WeakPolarHBondContact O-CA 3.37Å; A211-K218 HydrophobicContact CB-CD 4.48Å; A211-K218 HydrophobicContact CB-CG 4.05Å |
| 219 | F | 90.5 | Very high | 89.7 | Confident | 30 Ų | 30 | 87 Ų | 87 | 13% | 0.132 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.6 | -168.4 | -63.7 | -88.1 | 0 | 0 | 0 | 112.7 | K209 F210 C212 K217 L225 H228 | K209-F219 CarbonylContact C-O 3.57Å; K209-F219 WeakPolarHBondContact CA-O 3.47Å; F210-F219 PolarHBondContact N-O 3.03Å; F210-F219 VanDerWaalsContact N-O 3.1Å; F210-F219 PolarHBondContact O-N 3.21Å; C212-F219 HydrophobicContact CB-CE2 4.46Å; K217-F219 HydrophobicContact CB-CE2 3.6Å; K217-F219 HydrophobicContact CB-CZ 3.74Å; K217-F219 HydrophobicContact CD-CZ 3.95Å; F219-L225 HydrophobicContact CB-CB 4.16Å; F219-L225 HydrophobicContact CD2-CB 3.93Å; F219-L225 HydrophobicContact CD2-CD1 3.74Å; F219-L225 HydrophobicContact CD2-CG 4.44Å; F219-L225 HydrophobicContact CE2-CD1 3.97Å; F219-L225 HydrophobicContact CG-CB 4.17Å; F219-H228 HydrophobicContact CE1-CB 3.76Å; F219-H228 HydrophobicContact CE2-CB 3.94Å; F219-H228 AromaticContact CE2-CD2 3.32Å; F219-H228 WeakPolarHBondContact CE2-CD2 3.28Å; F219-H228 AromaticContact CE2-CG 3.66Å; F219-H228 HydrophobicContact CZ-CB 3.39Å; F219-H228 AromaticContact CZ-CD2 3.35Å; F219-H228 WeakPolarHBondContact CZ-CD2 3.1Å; F219-H228 AromaticContact CZ-CG 3.18Å; F219-H228 AromaticContact CZ-ND1 3.79Å; F219-H228 AromaticContact CZ-NE2 3.99Å |
| 220 | K | 91.7 | Very high | 90.2 | Very high | 140 Ų | 140 | 84.9 Ų | 84.9 | 61% | 0.609 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -76 | -21.4 | -179.7 | 64.3 | 176.9 | -178.1 | 179.2 | 0 | 114.2 | Y224 | K220-Y224 HydrophobicContact CD-CE2 4.45Å; K220-Y224 HydrophobicContact CG-CD2 3.9Å; K220-Y224 HydrophobicContact CG-CE2 4.2Å |
| 221 | T | 92 | Very high | 89.9 | Confident | 54 Ų | 54 | 81.7 Ų | 81.7 | 33% | 0.331 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -145.7 | 156.8 | 174.6 | 69.6 | 0 | 0 | 0 | 0 | 110.7 | S223 Y224 L225 | T221-S223 PolarHBondContact O-N 2.9Å; T221-Y224 PolarHBondContact O-N 3.29Å; T221-Y224 WeakPolarHBondContact OG1-CD2 3.39Å; T221-Y224 PolarHBondContact OG1-N 3.38Å; T221-L225 PolarHBondContact O-N 2.81Å |
| 222 | K | 92.3 | Very high | 89.7 | Confident | 153 Ų | 153 | 81.1 Ų | 81.1 | 67% | 0.665 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.6 | -30.7 | 174.3 | -166.4 | 171.1 | -177.5 | 174.3 | 0 | 112.9 | F210 L225 N226 | F210-K222 HydrophobicContact CD1-CB 3.88Å; F210-K222 HydrophobicContact CD1-CG 4.27Å; F210-K222 VanDerWaalsContact CD2-N 3.32Å; F210-K222 HydrophobicContact CE1-CB 3.83Å; F210-K222 HydrophobicContact CE1-CD 4.47Å; F210-K222 HydrophobicContact CE1-CG 4.39Å; F210-K222 HydrophobicContact CG-CB 4.26Å; F210-K222 HydrophobicContact CZ-CB 4.16Å; K222-L225 PolarHBondContact O-N 2.89Å; K222-N226 WeakPolarHBondContact O-CB 3.44Å; K222-N226 PolarHBondContact O-N 3.44Å |
| 223 | S | 90.1 | Very high | 89.6 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 60% | 0.601 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.6 | -49 | 176 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | T221 L225 N226 E227 | T221-S223 PolarHBondContact O-N 2.9Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 3.23Å; S223-N226 PolarHBondContact O-N 2.81Å; S223-E227 PolarHBondContact O-N 3.19Å |
| 224 | Y | 88.4 | Confident | 89.5 | Confident | 112 Ų | 112 | 80 Ų | 80 | 44% | 0.439 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.8 | -31.5 | 176.6 | -71.3 | -63.3 | 0 | 0 | 0 | 113.1 | K220 T221 H228 | K220-Y224 HydrophobicContact CD-CE2 4.45Å; K220-Y224 HydrophobicContact CG-CD2 3.9Å; K220-Y224 HydrophobicContact CG-CE2 4.2Å; T221-Y224 PolarHBondContact O-N 3.29Å; T221-Y224 WeakPolarHBondContact OG1-CD2 3.39Å; T221-Y224 PolarHBondContact OG1-N 3.38Å; Y224-H228 VanDerWaalsContact O-CB 3.28Å; Y224-H228 WeakPolarHBondContact O-CB 3.2Å; Y224-H228 PolarHBondContact O-N 2.92Å |
| 225 | L | 91.5 | Very high | 89.4 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 170.8 | 171.1 | 61.2 | 0 | 0 | 0 | 111 | F210 A211 C212 F219 T221 K222 S223 H228 V229 | F210-L225 HydrophobicContact CB-CB 4.13Å; F210-L225 HydrophobicContact CB-CD2 3.82Å; A211-L225 VanDerWaalsContact O-CD2 3.24Å; A211-L225 WeakPolarHBondContact O-CD2 3.4Å; C212-L225 HydrophobicContact CB-CD1 3.67Å; F219-L225 HydrophobicContact CB-CB 4.16Å; F219-L225 HydrophobicContact CD2-CB 3.93Å; F219-L225 HydrophobicContact CD2-CD1 3.74Å; F219-L225 HydrophobicContact CD2-CG 4.44Å; F219-L225 HydrophobicContact CE2-CD1 3.97Å; F219-L225 HydrophobicContact CG-CB 4.17Å; T221-L225 PolarHBondContact O-N 2.81Å; K222-L225 PolarHBondContact O-N 2.89Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 3.23Å; L225-H228 WeakPolarHBondContact O-CB 3.37Å; L225-H228 PolarHBondContact O-N 3.39Å; L225-V229 HydrophobicContact CD1-CG2 4.01Å; L225-V229 WeakPolarHBondContact O-CG2 3.35Å; L225-V229 PolarHBondContact O-N 2.79Å |
| 226 | N | 91.5 | Very high | 89.3 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | -179.2 | -164.2 | 6.8 | 0 | 0 | 0 | 111.7 | K222 S223 H228 V229 K230 | K222-N226 WeakPolarHBondContact O-CB 3.44Å; K222-N226 PolarHBondContact O-N 3.44Å; S223-N226 PolarHBondContact O-N 2.81Å; N226-H228 VanDerWaalsContact C-N 3.29Å; N226-H228 PolarHBondContact O-N 3.06Å; N226-V229 PolarHBondContact O-N 3.08Å; N226-K230 WeakPolarHBondContact O-CG 3.5Å; N226-K230 PolarHBondContact O-N 3.33Å |
| 227 | E | 88.7 | Confident | 89.2 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 171.2 | -172.1 | -170.5 | 131.2 | 0 | 0 | 111.2 | S223 V231 K248 S249 | S223-E227 PolarHBondContact O-N 3.19Å; E227-V231 HydrophobicContact CG-CG2 4.39Å; E227-V231 WeakPolarHBondContact O-CB 3.42Å; E227-V231 VanDerWaalsContact O-CG2 3.25Å; E227-V231 WeakPolarHBondContact O-CG2 3.46Å; E227-V231 PolarHBondContact O-N 3.44Å; E227-K248 VanDerWaalsContact CG-O 3.31Å; E227-K248 WeakPolarHBondContact CG-O 3.3Å; E227-S249 VanDerWaalsContact OE1-CB 3.24Å; E227-S249 WeakPolarHBondContact OE1-CB 3.42Å |
| 228 | H | 87.9 | Confident | 89.1 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 7% | 0.069 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.9 | 166 | 62.6 | 0 | 0 | 0 | 112.8 | C215 F219 Y224 L225 N226 I232 H233 | C215-H228 PolarHBondContact SG-NE2 3.25Å; F219-H228 HydrophobicContact CE1-CB 3.76Å; F219-H228 HydrophobicContact CE2-CB 3.94Å; F219-H228 AromaticContact CE2-CD2 3.32Å; F219-H228 WeakPolarHBondContact CE2-CD2 3.28Å; F219-H228 AromaticContact CE2-CG 3.66Å; F219-H228 HydrophobicContact CZ-CB 3.39Å; F219-H228 AromaticContact CZ-CD2 3.35Å; F219-H228 WeakPolarHBondContact CZ-CD2 3.1Å; F219-H228 AromaticContact CZ-CG 3.18Å; F219-H228 AromaticContact CZ-ND1 3.79Å; F219-H228 AromaticContact CZ-NE2 3.99Å; Y224-H228 VanDerWaalsContact O-CB 3.28Å; Y224-H228 WeakPolarHBondContact O-CB 3.2Å; Y224-H228 PolarHBondContact O-N 2.92Å; L225-H228 WeakPolarHBondContact O-CB 3.37Å; L225-H228 PolarHBondContact O-N 3.39Å; N226-H228 VanDerWaalsContact C-N 3.29Å; N226-H228 PolarHBondContact O-N 3.06Å; H228-I232 WeakPolarHBondContact ND1-CG1 3.46Å; H228-I232 WeakPolarHBondContact O-CA 3.43Å; H228-I232 WeakPolarHBondContact O-CB 3.29Å; H228-I232 VanDerWaalsContact O-CG1 3.3Å; H228-I232 WeakPolarHBondContact O-CG1 3.47Å; H228-I232 PolarHBondContact O-N 3.02Å; H228-H233 AromaticContact CE1-NE2 3.84Å; H228-H233 AromaticContact NE2-CD2 3.89Å; H228-H233 AromaticContact NE2-NE2 3.38Å; H228-H233 PolarHBondContact NE2-NE2 3.39Å |
| 229 | V | 89.3 | Confident | 89 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 179.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L225 N226 V231 H233 E234 | L225-V229 HydrophobicContact CD1-CG2 4.01Å; L225-V229 WeakPolarHBondContact O-CG2 3.35Å; L225-V229 PolarHBondContact O-N 2.79Å; N226-V229 PolarHBondContact O-N 3.08Å; V229-V231 PolarHBondContact O-N 3.44Å; V229-H233 WeakPolarHBondContact O-CA 3.18Å; V229-H233 WeakPolarHBondContact O-CB 3.29Å; V229-H233 PolarHBondContact O-N 3.22Å; V229-E234 HydrophobicContact CG1-CG 4.41Å; V229-E234 PolarHBondContact O-N 3.4Å |
| 230 | K | 90.1 | Very high | 88.8 | Confident | 92 Ų | 92 | 70.9 Ų | 70.9 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -55 | -52.4 | 176.9 | -69.2 | -172.2 | 172.9 | -160.6 | 0 | 112.5 | N226 E234 G235 I236 | N226-K230 WeakPolarHBondContact O-CG 3.5Å; N226-K230 PolarHBondContact O-N 3.33Å; K230-E234 WeakPolarHBondContact CG-OE2 3.27Å; K230-E234 CarbonylContact O-C 3.6Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; K230-G235 CarbonylContact O-C 3.51Å; K230-G235 PolarHBondContact O-N 3.37Å; K230-I236 HydrophobicContact CB-CB 4.45Å; K230-I236 PolarHBondContact O-N 3.41Å |
| 231 | V | 84.8 | Confident | 88.8 | Confident | 21 Ų | 21 | 72 Ų | 72 | 13% | 0.127 | 37% | 0.37 | C | S | . | . | I | π-helix | trans | -78 | -33.4 | -173.6 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | R162 E227 V229 L237 K248 | R162-V231 PolarHBondContact NE-O 2.93Å; R162-V231 PolarHBondContact NH2-O 3.45Å; E227-V231 HydrophobicContact CG-CG2 4.39Å; E227-V231 WeakPolarHBondContact O-CB 3.42Å; E227-V231 VanDerWaalsContact O-CG2 3.25Å; E227-V231 WeakPolarHBondContact O-CG2 3.46Å; E227-V231 PolarHBondContact O-N 3.44Å; V229-V231 PolarHBondContact O-N 3.44Å; V231-L237 HydrophobicContact CG1-CD2 3.85Å; V231-K248 HydrophobicContact CG1-CB 3.79Å; V231-K248 HydrophobicContact CG2-CB 4.02Å; V231-K248 VanDerWaalsContact CG2-O 3.25Å; V231-K248 WeakPolarHBondContact CG2-O 3.37Å |
| 232 | I | 86.4 | Confident | 88.7 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 21% | 0.205 | 38% | 0.381 | C | S | . | . | I | π-helix | trans | -102.1 | -31.2 | -168.9 | -52.6 | -45.3 | 0 | 0 | 0 | 113.9 | R162 P164 H228 | R162-I232 PolarHBondContact NH2-O 3.42Å; P164-I232 HydrophobicContact CB-CD1 3.53Å; P164-I232 HydrophobicContact CB-CG1 4.04Å; P164-I232 HydrophobicContact CB-CG2 4.22Å; P164-I232 HydrophobicContact CG-CD1 3.51Å; P164-I232 HydrophobicContact CG-CG1 4.31Å; P164-I232 HydrophobicContact CG-CG2 4.06Å; H228-I232 WeakPolarHBondContact ND1-CG1 3.46Å; H228-I232 WeakPolarHBondContact O-CA 3.43Å; H228-I232 WeakPolarHBondContact O-CB 3.29Å; H228-I232 VanDerWaalsContact O-CG1 3.3Å; H228-I232 WeakPolarHBondContact O-CG1 3.47Å; H228-I232 PolarHBondContact O-N 3.02Å |
| 233 | H | 87.6 | Confident | 88.7 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 30% | 0.301 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -104.1 | -50.2 | 179.7 | -61.9 | -62.3 | 0 | 0 | 0 | 110.8 | C212 H214 H228 V229 | C212-H233 VanDerWaalsContact SG-CD2 3.59Å; C212-H233 PolarHBondContact SG-NE2 3.48Å; H214-H233 VanDerWaalsContact CB-CE1 3.43Å; H214-H233 WeakPolarHBondContact CB-CE1 3.24Å; H214-H233 AromaticContact CD2-CD2 3.89Å; H214-H233 AromaticContact CD2-CG 3.87Å; H228-H233 AromaticContact CE1-NE2 3.84Å; H228-H233 AromaticContact NE2-CD2 3.89Å; H228-H233 AromaticContact NE2-NE2 3.38Å; H228-H233 PolarHBondContact NE2-NE2 3.39Å; V229-H233 WeakPolarHBondContact O-CA 3.18Å; V229-H233 WeakPolarHBondContact O-CB 3.29Å; V229-H233 PolarHBondContact O-N 3.22Å |
| 234 | E | 90 | Very high | 88.6 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | I | π-helix | trans | -79.1 | -28 | 179.9 | -54.8 | 169.3 | -177.3 | 0 | 0 | 112.9 | V229 K230 I236 | V229-E234 HydrophobicContact CG1-CG 4.41Å; V229-E234 PolarHBondContact O-N 3.4Å; K230-E234 WeakPolarHBondContact CG-OE2 3.27Å; K230-E234 CarbonylContact O-C 3.6Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; E234-I236 VanDerWaalsContact C-N 3.32Å; E234-I236 HydrophobicContact CB-CD1 4.11Å; E234-I236 HydrophobicContact CB-CG1 3.91Å; E234-I236 WeakPolarHBondContact OE2-CD1 3.31Å |
| 235 | G | 85.2 | Confident | 88.4 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | trans | 81.4 | 8.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | K230 L237 | K230-G235 CarbonylContact O-C 3.51Å; K230-G235 PolarHBondContact O-N 3.37Å; G235-L237 PolarHBondContact O-N 3.21Å | ||
| 236 | I | 86.8 | Confident | 88.1 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | trans | -73.2 | 121 | 179.9 | -57.1 | -178.1 | 0 | 0 | 0 | 109.5 | K230 E234 | K230-I236 HydrophobicContact CB-CB 4.45Å; K230-I236 PolarHBondContact O-N 3.41Å; E234-I236 VanDerWaalsContact C-N 3.32Å; E234-I236 HydrophobicContact CB-CD1 4.11Å; E234-I236 HydrophobicContact CB-CG1 3.91Å; E234-I236 WeakPolarHBondContact OE2-CD1 3.31Å | ||
| 237 | L | 87.1 | Confident | 87.8 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | trans | -106.6 | 150.3 | 168.9 | -63.7 | 176.6 | 0 | 0 | 0 | 109.3 | V231 G235 Q239 | V231-L237 HydrophobicContact CG1-CD2 3.85Å; G235-L237 PolarHBondContact O-N 3.21Å; L237-Q239 PolarHBondContact O-N 3.45Å | ||
| 238 | I | 86.6 | Confident | 87.7 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 35% | 0.354 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 113.2 | 171.4 | -44 | 178.1 | 0 | 0 | 0 | 106.8 | F247 T250 L253 | I238-F247 PolarHBondContact N-O 2.84Å; I238-F247 PolarHBondContact O-N 3.46Å; I238-T250 HydrophobicContact CD1-CG2 3.53Å; I238-L253 HydrophobicContact CB-CD2 4.4Å; I238-L253 HydrophobicContact CG2-CD2 3.6Å |
| 239 | Q | 90.2 | Very high | 87.6 | Confident | 131 Ų | 131 | 66.8 Ų | 66.8 | 61% | 0.612 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 153.2 | 179.9 | -70.3 | -179.8 | -35.6 | 0 | 0 | 111.3 | L237 D245 | L237-Q239 PolarHBondContact O-N 3.45Å; Q239-D245 CarbonylContact C-O 3.59Å; Q239-D245 WeakPolarHBondContact CA-O 3.38Å |
| 240 | C | 87.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | trans | -85.9 | 122.6 | 163.6 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | E242 C243 G244 D245 F247 L253 | C240-E242 PolarHBondContact O-N 3.24Å; C240-C243 PolarHBondContact O-N 3.33Å; C240-G244 VanDerWaalsContact O-CA 3.29Å; C240-G244 WeakPolarHBondContact O-CA 3.36Å; C240-G244 PolarHBondContact O-N 2.81Å; C240-D245 PolarHBondContact N-O 3.39Å; C240-F247 HydrophobicContact CB-CE2 4.16Å; C240-L253 HydrophobicContact CB-CD1 3.52Å | ||
| 241 | D | 92.4 | Very high | 87.5 | Confident | 165 Ų | 165 | 69.4 Ų | 69.4 | 88% | 0.882 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.3 | -179 | -53.1 | -45.6 | 0 | 0 | 0 | 113 | ||
| 242 | E | 89.6 | Confident | 87.5 | Confident | 119 Ų | 119 | 70 Ų | 70 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -22.4 | -177.3 | -62.2 | -175.8 | -125.6 | 0 | 0 | 114.2 | C240 H261 | C240-E242 PolarHBondContact O-N 3.24Å; E242-H261 WeakPolarHBondContact CB-CE1 3.35Å; E242-H261 VanDerWaalsContact CB-ND1 3.33Å; E242-H261 WeakPolarHBondContact CB-ND1 3.36Å; E242-H261 IonicContact OE1-CG 3.27Å; E242-H261 WeakPolarHBondContact OE2-CB 3.23Å; E242-H261 IonicContact OE2-CE1 3.83Å; E242-H261 IonicContact OE2-CG 2.79Å; E242-H261 VanDerWaalsContact OE2-CG 3.27Å; E242-H261 IonicContact OE2-ND1 3.8Å; E242-H261 PolarHBondContact OE2-ND1 3.02Å |
| 243 | C | 90.7 | Very high | 87.6 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 43% | 0.432 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | -5.1 | -178.1 | 66.9 | 0 | 0 | 0 | 0 | 116 | C240 D245 H256 H261 | C240-C243 PolarHBondContact O-N 3.33Å; C243-D245 VanDerWaalsContact C-N 3.28Å; C243-D245 PolarHBondContact O-N 3.26Å; C243-H256 VanDerWaalsContact SG-CE1 3.59Å; C243-H256 PolarHBondContact SG-NE2 3.47Å; C243-H261 PolarHBondContact SG-NE2 2.9Å; C243-H261 VanDerWaalsContact SG-NE2 3.44Å |
| 244 | G | 88.3 | Confident | 87.7 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | trans | 78.7 | -5.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | C240 G246 | C240-G244 VanDerWaalsContact O-CA 3.29Å; C240-G244 WeakPolarHBondContact O-CA 3.36Å; C240-G244 PolarHBondContact O-N 2.81Å; G244-G246 PolarHBondContact O-N 2.94Å | ||
| 245 | D | 84.8 | Confident | 87.6 | Confident | 69 Ų | 69 | 69.7 Ų | 69.7 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | trans | -60.6 | 135.7 | -178.1 | -99.7 | -21.3 | 0 | 0 | 0 | 112.2 | Q160 Q239 C240 C243 F247 H256 | Q160-D245 PolarHBondContact NE2-OD1 3.36Å; Q239-D245 CarbonylContact C-O 3.59Å; Q239-D245 WeakPolarHBondContact CA-O 3.38Å; C240-D245 PolarHBondContact N-O 3.39Å; C243-D245 VanDerWaalsContact C-N 3.28Å; C243-D245 PolarHBondContact O-N 3.26Å; D245-F247 HydrophobicContact CB-CE2 3.59Å; D245-F247 HydrophobicContact CB-CZ 3.79Å; D245-F247 VanDerWaalsContact O-CD2 3.26Å; D245-F247 WeakPolarHBondContact O-CD2 3.35Å; D245-F247 WeakPolarHBondContact O-CE2 3.43Å; D245-H256 IonicContact OD2-CE1 2.79Å | ||
| 246 | G | 85.9 | Confident | 87.7 | Confident | 20 Ų | 20 | 69 Ų | 69 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | G244 | G244-G246 PolarHBondContact O-N 2.94Å |
| 247 | F | 85.1 | Confident | 87.8 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.7 | -178.1 | -62.8 | -84.3 | 0 | 0 | 0 | 113.2 | I238 C240 D245 S249 L253 H256 | I238-F247 PolarHBondContact N-O 2.84Å; I238-F247 PolarHBondContact O-N 3.46Å; C240-F247 HydrophobicContact CB-CE2 4.16Å; D245-F247 HydrophobicContact CB-CE2 3.59Å; D245-F247 HydrophobicContact CB-CZ 3.79Å; D245-F247 VanDerWaalsContact O-CD2 3.26Å; D245-F247 WeakPolarHBondContact O-CD2 3.35Å; D245-F247 WeakPolarHBondContact O-CE2 3.43Å; F247-S249 VanDerWaalsContact C-N 3.33Å; F247-S249 PolarHBondContact O-N 3.48Å; F247-L253 HydrophobicContact CB-CB 3.97Å; F247-L253 HydrophobicContact CD2-CB 3.96Å; F247-L253 HydrophobicContact CD2-CD1 3.53Å; F247-L253 HydrophobicContact CD2-CG 4.32Å; F247-L253 HydrophobicContact CE2-CD1 3.8Å; F247-L253 HydrophobicContact CG-CB 3.96Å; F247-L253 HydrophobicContact CG-CD1 4.37Å; F247-H256 HydrophobicContact CD1-CB 4.44Å; F247-H256 HydrophobicContact CE1-CB 3.57Å; F247-H256 AromaticContact CE1-CG 3.87Å; F247-H256 HydrophobicContact CE2-CB 4.13Å; F247-H256 AromaticContact CE2-CD2 3.57Å; F247-H256 AromaticContact CE2-CG 3.75Å; F247-H256 AromaticContact CE2-NE2 3.97Å; F247-H256 HydrophobicContact CZ-CB 3.41Å; F247-H256 VanDerWaalsContact CZ-CB 3.41Å; F247-H256 AromaticContact CZ-CD2 3.5Å; F247-H256 AromaticContact CZ-CE1 3.88Å; F247-H256 AromaticContact CZ-CG 3.16Å; F247-H256 AromaticContact CZ-ND1 3.44Å; F247-H256 WeakPolarHBondContact CZ-ND1 3.21Å; F247-H256 AromaticContact CZ-NE2 3.93Å |
| 248 | K | 85.8 | Confident | 87.8 | Confident | 129 Ų | 129 | 65 Ų | 65 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -70.5 | -24.3 | 176.2 | 64.8 | -176.6 | -179 | -174.4 | 0 | 114.5 | E227 V231 | E227-K248 VanDerWaalsContact CG-O 3.31Å; E227-K248 WeakPolarHBondContact CG-O 3.3Å; V231-K248 HydrophobicContact CG1-CB 3.79Å; V231-K248 HydrophobicContact CG2-CB 4.02Å; V231-K248 VanDerWaalsContact CG2-O 3.25Å; V231-K248 WeakPolarHBondContact CG2-O 3.37Å |
| 249 | S | 86.4 | Confident | 87.8 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -146.9 | 151.6 | -174.6 | 81.9 | 0 | 0 | 0 | 0 | 112 | E227 F247 S251 S252 L253 | E227-S249 VanDerWaalsContact OE1-CB 3.24Å; E227-S249 WeakPolarHBondContact OE1-CB 3.42Å; F247-S249 VanDerWaalsContact C-N 3.33Å; F247-S249 PolarHBondContact O-N 3.48Å; S249-S251 PolarHBondContact O-N 3.34Å; S249-S252 WeakPolarHBondContact O-CA 3.29Å; S249-S252 WeakPolarHBondContact O-CB 3.48Å; S249-S252 PolarHBondContact O-N 3.49Å; S249-S252 PolarHBondContact OG-N 3.37Å; S249-S252 VanDerWaalsContact OG-N 3.17Å; S249-S252 PolarHBondContact OG-OG 3.34Å; S249-L253 PolarHBondContact O-N 3.32Å |
| 250 | T | 89 | Confident | 87.6 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.1 | -36.8 | 178.2 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | I238 S252 L253 K254 | I238-T250 HydrophobicContact CD1-CG2 3.53Å; T250-S252 VanDerWaalsContact C-N 3.33Å; T250-S252 PolarHBondContact O-N 3.31Å; T250-L253 PolarHBondContact O-N 2.77Å; T250-K254 WeakPolarHBondContact O-CB 3.27Å; T250-K254 PolarHBondContact O-N 2.96Å |
| 251 | S | 87.7 | Confident | 87.6 | Confident | 74 Ų | 74 | 65 Ų | 65 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 174.2 | -41.5 | 0 | 0 | 0 | 0 | 112.6 | S249 N255 | S249-S251 PolarHBondContact O-N 3.34Å; S251-N255 WeakPolarHBondContact O-CB 3.49Å; S251-N255 PolarHBondContact O-N 3.4Å; S251-N255 VanDerWaalsContact O-N 3.08Å; S251-N255 PolarHBondContact O-ND2 3.42Å; S251-N255 VanDerWaalsContact O-ND2 3.1Å |
| 252 | S | 85.8 | Confident | 87.5 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.7 | -46.9 | 177.1 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | S249 T250 N255 H256 | S249-S252 WeakPolarHBondContact O-CA 3.29Å; S249-S252 WeakPolarHBondContact O-CB 3.48Å; S249-S252 PolarHBondContact O-N 3.49Å; S249-S252 PolarHBondContact OG-N 3.37Å; S249-S252 VanDerWaalsContact OG-N 3.17Å; S249-S252 PolarHBondContact OG-OG 3.34Å; T250-S252 VanDerWaalsContact C-N 3.33Å; T250-S252 PolarHBondContact O-N 3.31Å; S252-N255 PolarHBondContact O-N 2.98Å; S252-H256 PolarHBondContact O-N 2.91Å |
| 253 | L | 87.4 | Confident | 87.2 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 174.1 | 174.6 | 60.7 | 0 | 0 | 0 | 111.6 | I238 C240 F247 S249 T250 N255 H256 I257 | I238-L253 HydrophobicContact CB-CD2 4.4Å; I238-L253 HydrophobicContact CG2-CD2 3.6Å; C240-L253 HydrophobicContact CB-CD1 3.52Å; F247-L253 HydrophobicContact CB-CB 3.97Å; F247-L253 HydrophobicContact CD2-CB 3.96Å; F247-L253 HydrophobicContact CD2-CD1 3.53Å; F247-L253 HydrophobicContact CD2-CG 4.32Å; F247-L253 HydrophobicContact CE2-CD1 3.8Å; F247-L253 HydrophobicContact CG-CB 3.96Å; F247-L253 HydrophobicContact CG-CD1 4.37Å; S249-L253 PolarHBondContact O-N 3.32Å; T250-L253 PolarHBondContact O-N 2.77Å; L253-N255 VanDerWaalsContact C-N 3.32Å; L253-N255 PolarHBondContact O-N 2.86Å; L253-H256 WeakPolarHBondContact O-CB 3.44Å; L253-H256 PolarHBondContact O-N 3.02Å; L253-H256 VanDerWaalsContact O-N 3.11Å; L253-I257 HydrophobicContact CD1-CD1 3.76Å; L253-I257 HydrophobicContact CD1-CG1 3.91Å; L253-I257 HydrophobicContact CD2-CD1 4.42Å; L253-I257 HydrophobicContact CG-CD1 3.8Å; L253-I257 HydrophobicContact CG-CG1 4.34Å; L253-I257 WeakPolarHBondContact O-CG1 3.21Å; L253-I257 PolarHBondContact O-N 2.88Å |
| 254 | K | 90.9 | Very high | 87 | Confident | 136 Ų | 136 | 62.4 Ų | 62.4 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.7 | -41.5 | 178.2 | -175.7 | 175.3 | -178.8 | 176.4 | 0 | 112.4 | T250 N258 | T250-K254 WeakPolarHBondContact O-CB 3.27Å; T250-K254 PolarHBondContact O-N 2.96Å; K254-N258 VanDerWaalsContact O-CB 3.3Å; K254-N258 WeakPolarHBondContact O-CB 3.16Å; K254-N258 VanDerWaalsContact O-CG 3.26Å; K254-N258 PolarHBondContact O-N 3.04Å |
| 255 | N | 86 | Confident | 87 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 176.6 | -68.6 | -22.8 | 0 | 0 | 0 | 112.1 | S251 S252 L253 L259 Q277 | S251-N255 WeakPolarHBondContact O-CB 3.49Å; S251-N255 PolarHBondContact O-N 3.4Å; S251-N255 VanDerWaalsContact O-N 3.08Å; S251-N255 PolarHBondContact O-ND2 3.42Å; S251-N255 VanDerWaalsContact O-ND2 3.1Å; S252-N255 PolarHBondContact O-N 2.98Å; L253-N255 VanDerWaalsContact C-N 3.32Å; L253-N255 PolarHBondContact O-N 2.86Å; N255-L259 WeakPolarHBondContact O-CB 3.36Å; N255-L259 PolarHBondContact O-N 2.89Å; N255-Q277 PolarHBondContact ND2-NE2 3.41Å |
| 256 | H | 87.8 | Confident | 87.1 | Confident | 21 Ų | 21 | 62 Ų | 62 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.1 | -51.8 | 173.7 | 159.7 | 89.6 | 0 | 0 | 0 | 111.7 | C243 D245 F247 S252 L253 N258 L259 V260 H261 | C243-H256 VanDerWaalsContact SG-CE1 3.59Å; C243-H256 PolarHBondContact SG-NE2 3.47Å; D245-H256 IonicContact OD2-CE1 2.79Å; F247-H256 HydrophobicContact CD1-CB 4.44Å; F247-H256 HydrophobicContact CE1-CB 3.57Å; F247-H256 AromaticContact CE1-CG 3.87Å; F247-H256 HydrophobicContact CE2-CB 4.13Å; F247-H256 AromaticContact CE2-CD2 3.57Å; F247-H256 AromaticContact CE2-CG 3.75Å; F247-H256 AromaticContact CE2-NE2 3.97Å; F247-H256 HydrophobicContact CZ-CB 3.41Å; F247-H256 VanDerWaalsContact CZ-CB 3.41Å; F247-H256 AromaticContact CZ-CD2 3.5Å; F247-H256 AromaticContact CZ-CE1 3.88Å; F247-H256 AromaticContact CZ-CG 3.16Å; F247-H256 AromaticContact CZ-ND1 3.44Å; F247-H256 WeakPolarHBondContact CZ-ND1 3.21Å; F247-H256 AromaticContact CZ-NE2 3.93Å; S252-H256 PolarHBondContact O-N 2.91Å; L253-H256 WeakPolarHBondContact O-CB 3.44Å; L253-H256 PolarHBondContact O-N 3.02Å; L253-H256 VanDerWaalsContact O-N 3.11Å; H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact O-N 2.89Å; H256-L259 PolarHBondContact O-N 2.82Å; H256-L259 VanDerWaalsContact O-N 3.14Å; H256-V260 WeakPolarHBondContact O-CB 3.26Å; H256-V260 PolarHBondContact O-N 2.84Å; H256-H261 AromaticContact CE1-NE2 3.93Å; H256-H261 AromaticContact NE2-CD2 3.58Å; H256-H261 AromaticContact NE2-NE2 3.39Å; H256-H261 PolarHBondContact NE2-NE2 3.49Å |
| 257 | I | 88.3 | Confident | 87.3 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 18% | 0.179 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -55.6 | -46.8 | 176.8 | -68 | 171.5 | 0 | 0 | 0 | 110.2 | L253 L259 H261 K262 | L253-I257 HydrophobicContact CD1-CD1 3.76Å; L253-I257 HydrophobicContact CD1-CG1 3.91Å; L253-I257 HydrophobicContact CD2-CD1 4.42Å; L253-I257 HydrophobicContact CG-CD1 3.8Å; L253-I257 HydrophobicContact CG-CG1 4.34Å; L253-I257 WeakPolarHBondContact O-CG1 3.21Å; L253-I257 PolarHBondContact O-N 2.88Å; I257-L259 PolarHBondContact O-N 3.04Å; I257-H261 HydrophobicContact CG2-CB 4.36Å; I257-H261 WeakPolarHBondContact O-CA 3.4Å; I257-H261 WeakPolarHBondContact O-CB 3.33Å; I257-H261 PolarHBondContact O-N 3.32Å; I257-K262 HydrophobicContact CG2-CD 4.08Å; I257-K262 HydrophobicContact CG2-CG 4.26Å; I257-K262 PolarHBondContact O-N 3.3Å |
| 258 | N | 88.8 | Confident | 87.5 | Confident | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -59.2 | -47.6 | 177.9 | -78.6 | 1.8 | 0 | 0 | 0 | 112 | K254 H256 K262 G263 L264 | K254-N258 VanDerWaalsContact O-CB 3.3Å; K254-N258 WeakPolarHBondContact O-CB 3.16Å; K254-N258 VanDerWaalsContact O-CG 3.26Å; K254-N258 PolarHBondContact O-N 3.04Å; H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact O-N 2.89Å; N258-K262 CarbonylContact O-C 3.55Å; N258-G263 CarbonylContact O-C 3.6Å; N258-G263 PolarHBondContact O-N 3.48Å; N258-L264 HydrophobicContact CB-CB 4.18Å; N258-L264 WeakPolarHBondContact O-CA 3.49Å; N258-L264 PolarHBondContact O-N 3.1Å |
| 259 | L | 86.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -73.8 | -51.3 | -177.5 | -179.2 | 65.2 | 0 | 0 | 0 | 113.4 | N255 H256 I257 V274 T276 | N255-L259 WeakPolarHBondContact O-CB 3.36Å; N255-L259 PolarHBondContact O-N 2.89Å; H256-L259 PolarHBondContact O-N 2.82Å; H256-L259 VanDerWaalsContact O-N 3.14Å; I257-L259 PolarHBondContact O-N 3.04Å; L259-V274 HydrophobicContact CD1-CB 4.18Å; L259-V274 HydrophobicContact CD1-CG1 3.51Å; L259-T276 HydrophobicContact CB-CG2 4.16Å; L259-T276 HydrophobicContact CD2-CG2 3.42Å; L259-T276 VanDerWaalsContact CD2-CG2 3.42Å; L259-T276 HydrophobicContact CG-CG2 4.37Å |
| 260 | V | 85.5 | Confident | 88 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | I | π-helix | trans | -83.9 | -44 | -167.6 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | H256 | H256-V260 WeakPolarHBondContact O-CB 3.26Å; H256-V260 PolarHBondContact O-N 2.84Å |
| 261 | H | 87.8 | Confident | 88.2 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -95.1 | -33.8 | -171.9 | -68.6 | -83.4 | 0 | 0 | 0 | 112.8 | E242 C243 H256 I257 | E242-H261 WeakPolarHBondContact CB-CE1 3.35Å; E242-H261 VanDerWaalsContact CB-ND1 3.33Å; E242-H261 WeakPolarHBondContact CB-ND1 3.36Å; E242-H261 IonicContact OE1-CG 3.27Å; E242-H261 WeakPolarHBondContact OE2-CB 3.23Å; E242-H261 IonicContact OE2-CE1 3.83Å; E242-H261 IonicContact OE2-CG 2.79Å; E242-H261 VanDerWaalsContact OE2-CG 3.27Å; E242-H261 IonicContact OE2-ND1 3.8Å; E242-H261 PolarHBondContact OE2-ND1 3.02Å; C243-H261 PolarHBondContact SG-NE2 2.9Å; C243-H261 VanDerWaalsContact SG-NE2 3.44Å; H256-H261 AromaticContact CE1-NE2 3.93Å; H256-H261 AromaticContact NE2-CD2 3.58Å; H256-H261 AromaticContact NE2-NE2 3.39Å; H256-H261 PolarHBondContact NE2-NE2 3.49Å; I257-H261 HydrophobicContact CG2-CB 4.36Å; I257-H261 WeakPolarHBondContact O-CA 3.4Å; I257-H261 WeakPolarHBondContact O-CB 3.33Å; I257-H261 PolarHBondContact O-N 3.32Å |
| 262 | K | 89.3 | Confident | 88.3 | Confident | 126 Ų | 126 | 72.1 Ų | 72.1 | 55% | 0.548 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -108.2 | -9.8 | -175.6 | -56.7 | -175.6 | 176.9 | -178.6 | 0 | 114.8 | I257 N258 L264 | I257-K262 HydrophobicContact CG2-CD 4.08Å; I257-K262 HydrophobicContact CG2-CG 4.26Å; I257-K262 PolarHBondContact O-N 3.3Å; N258-K262 CarbonylContact O-C 3.55Å; K262-L264 HydrophobicContact CB-CB 4.35Å; K262-L264 HydrophobicContact CB-CD1 3.87Å; K262-L264 HydrophobicContact CB-CG 3.79Å; K262-L264 HydrophobicContact CD-CD1 4.19Å; K262-L264 PolarHBondContact O-N 3.29Å; K262-L264 VanDerWaalsContact O-N 3.11Å |
| 263 | G | 82.6 | Confident | 88.3 | Confident | 57 Ų | 57 | 76.5 Ų | 76.5 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | trans | 64.1 | 8.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N258 G265 | N258-G263 CarbonylContact O-C 3.6Å; N258-G263 PolarHBondContact O-N 3.48Å; G263-G265 PolarHBondContact O-N 2.88Å | ||
| 264 | L | 87.3 | Confident | 88.3 | Confident | 112 Ų | 112 | 78.5 Ų | 78.5 | 59% | 0.586 | 40% | 0.402 | S | S | * | . | trans | -80.8 | 48.9 | -178.9 | -60.6 | 177.7 | 0 | 0 | 0 | 112.3 | N258 K262 | N258-L264 HydrophobicContact CB-CB 4.18Å; N258-L264 WeakPolarHBondContact O-CA 3.49Å; N258-L264 PolarHBondContact O-N 3.1Å; K262-L264 HydrophobicContact CB-CB 4.35Å; K262-L264 HydrophobicContact CB-CD1 3.87Å; K262-L264 HydrophobicContact CB-CG 3.79Å; K262-L264 HydrophobicContact CD-CD1 4.19Å; K262-L264 PolarHBondContact O-N 3.29Å; K262-L264 VanDerWaalsContact O-N 3.11Å | ||
| 265 | G | 87.1 | Confident | 88.1 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 22% | 0.216 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -91.3 | 169.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G263 Q267 | G263-G265 PolarHBondContact O-N 2.88Å; G265-Q267 PolarHBondContact O-N 3.42Å |
| 266 | F | 86.9 | Confident | 88 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 36% | 0.36 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 99.8 | 174.6 | -60.5 | -83.2 | 0 | 0 | 0 | 109.2 | F275 R278 L281 | F266-F275 HydrophobicContact CB-CB 4.4Å; F266-F275 PolarHBondContact N-O 2.83Å; F266-F275 PolarHBondContact O-N 3.05Å; F266-R278 HydrophobicContact CD1-CB 4.01Å; F266-R278 HydrophobicContact CD1-CG 4.39Å; F266-R278 HydrophobicContact CD2-CB 4.42Å; F266-R278 VanDerWaalsContact CD2-N 3.34Å; F266-R278 HydrophobicContact CE1-CB 3.85Å; F266-R278 HydrophobicContact CE1-CG 4.39Å; F266-R278 HydrophobicContact CE2-CB 4.27Å; F266-R278 HydrophobicContact CG-CB 4.3Å; F266-R278 HydrophobicContact CZ-CB 3.99Å; F266-L281 HydrophobicContact CB-CB 4.16Å; F266-L281 HydrophobicContact CB-CD2 3.79Å |
| 267 | Q | 91 | Very high | 87.7 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 42% | 0.416 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 143 | 176.7 | -175.7 | 173.7 | -0.9 | 0 | 0 | 111.3 | G265 V274 L281 | G265-Q267 PolarHBondContact O-N 3.42Å; Q267-V274 HydrophobicContact CB-CG2 4.28Å; Q267-V274 HydrophobicContact CG-CG2 4.32Å; Q267-L281 VanDerWaalsContact O-CD2 3.31Å; Q267-L281 WeakPolarHBondContact O-CD2 3.26Å |
| 268 | C | 90.1 | Very high | 87.7 | Confident | 6 Ų | 6 | 82.8 Ų | 82.8 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | trans | -77.1 | 140 | 172.2 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | Y270 C271 K273 F275 L281 E285 | C268-Y270 VanDerWaalsContact C-N 3.27Å; C268-Y270 PolarHBondContact O-N 2.79Å; C268-Y270 PolarHBondContact SG-N 3.33Å; C268-Y270 VanDerWaalsContact SG-N 3.41Å; C268-C271 WeakPolarHBondContact CB-O 3.44Å; C268-K273 PolarHBondContact N-O 2.82Å; C268-F275 HydrophobicContact CB-CE2 4.43Å; C268-L281 VanDerWaalsContact CA-CD1 3.49Å; C268-L281 HydrophobicContact CB-CD1 3.58Å; C268-E285 WeakPolarHBondContact CA-OE1 3.35Å; C268-E285 VanDerWaalsContact SG-CG 3.59Å; C268-E285 PolarHBondContact SG-OE1 3.14Å; C268-E285 VanDerWaalsContact SG-OE1 3.36Å | ||
| 269 | H | 92.1 | Very high | 87.6 | Confident | 157 Ų | 157 | 85.9 Ų | 85.9 | 73% | 0.727 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -71 | -23.4 | -180 | -57.5 | 86.7 | 0 | 0 | 0 | 113.1 | E285 | H269-E285 IonicContact CE1-OE1 3.15Å; H269-E285 IonicContact CG-OE1 3.79Å; H269-E285 PolarHBondContact N-OE1 3.36Å; H269-E285 IonicContact ND1-OE1 3.86Å; H269-E285 PolarHBondContact ND1-OE1 3.09Å; H269-E285 IonicContact ND1-OE2 3.61Å |
| 270 | Y | 90.6 | Very high | 87.5 | Confident | 138 Ų | 138 | 85.4 Ų | 85.4 | 54% | 0.541 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -108.1 | -9.3 | -173.5 | -50.9 | -78.8 | 0 | 0 | 0 | 113.7 | C268 E285 H289 | C268-Y270 VanDerWaalsContact C-N 3.27Å; C268-Y270 PolarHBondContact O-N 2.79Å; C268-Y270 PolarHBondContact SG-N 3.33Å; C268-Y270 VanDerWaalsContact SG-N 3.41Å; Y270-E285 HydrophobicContact CD2-CG 4.19Å; Y270-E285 HydrophobicContact CE2-CB 4.47Å; Y270-E285 HydrophobicContact CE2-CG 4.36Å; Y270-H289 WeakPolarHBondContact CB-ND1 3.46Å; Y270-H289 HydrophobicContact CD2-CB 3.67Å; Y270-H289 AromaticContact CD2-CD2 3.75Å; Y270-H289 AromaticContact CD2-CG 3.7Å; Y270-H289 HydrophobicContact CE2-CB 4.16Å; Y270-H289 HydrophobicContact CG-CB 3.94Å; Y270-H289 AromaticContact CG-CG 3.79Å |
| 271 | C | 91.6 | Very high | 87.6 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -158.7 | 164.4 | 177.6 | 76 | 0 | 0 | 0 | 0 | 112.8 | C268 K273 H284 | C268-C271 WeakPolarHBondContact CB-O 3.44Å; C271-K273 PolarHBondContact O-N 3.11Å; C271-H284 PolarHBondContact SG-NE2 3.06Å |
| 272 | N | 90 | Very high | 87.7 | Confident | 152 Ų | 152 | 81.9 Ų | 81.9 | 81% | 0.813 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -74.3 | 18.2 | -175.9 | -61.1 | -18.9 | 0 | 0 | 0 | 115 | ||
| 273 | K | 87.3 | Confident | 87.5 | Confident | 125 Ų | 125 | 78.7 Ų | 78.7 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | trans | -81.3 | 135.9 | 176.1 | -71.6 | -174.2 | -179.9 | -65.6 | 0 | 110.9 | C268 C271 F275 | C268-K273 PolarHBondContact N-O 2.82Å; C271-K273 PolarHBondContact O-N 3.11Å; K273-F275 HydrophobicContact CB-CE2 3.67Å; K273-F275 HydrophobicContact CB-CZ 3.98Å; K273-F275 HydrophobicContact CD-CZ 4.35Å | ||
| 274 | V | 86.1 | Confident | 87.8 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 39% | 0.394 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.9 | 178.2 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | L259 Q267 | L259-V274 HydrophobicContact CD1-CB 4.18Å; L259-V274 HydrophobicContact CD1-CG1 3.51Å; Q267-V274 HydrophobicContact CB-CG2 4.28Å; Q267-V274 HydrophobicContact CG-CG2 4.32Å |
| 275 | F | 86.4 | Confident | 87.8 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.6 | -172.7 | -65.5 | -92.2 | 0 | 0 | 0 | 111.5 | F266 C268 K273 Q277 L281 H284 | F266-F275 HydrophobicContact CB-CB 4.4Å; F266-F275 PolarHBondContact N-O 2.83Å; F266-F275 PolarHBondContact O-N 3.05Å; C268-F275 HydrophobicContact CB-CE2 4.43Å; K273-F275 HydrophobicContact CB-CE2 3.67Å; K273-F275 HydrophobicContact CB-CZ 3.98Å; K273-F275 HydrophobicContact CD-CZ 4.35Å; F275-Q277 VanDerWaalsContact C-N 3.27Å; F275-Q277 PolarHBondContact O-N 3.35Å; F275-L281 HydrophobicContact CB-CB 4.17Å; F275-L281 HydrophobicContact CD2-CB 3.94Å; F275-L281 HydrophobicContact CD2-CD1 3.7Å; F275-L281 HydrophobicContact CD2-CG 4.42Å; F275-L281 HydrophobicContact CE2-CD1 3.88Å; F275-L281 HydrophobicContact CG-CB 4.11Å; F275-H284 HydrophobicContact CE1-CB 3.9Å; F275-H284 HydrophobicContact CE2-CB 4.04Å; F275-H284 AromaticContact CE2-CD2 3.44Å; F275-H284 VanDerWaalsContact CE2-CD2 3.44Å; F275-H284 WeakPolarHBondContact CE2-CD2 3.19Å; F275-H284 AromaticContact CE2-CG 3.77Å; F275-H284 HydrophobicContact CZ-CB 3.45Å; F275-H284 VanDerWaalsContact CZ-CB 3.45Å; F275-H284 AromaticContact CZ-CD2 3.44Å; F275-H284 VanDerWaalsContact CZ-CD2 3.44Å; F275-H284 WeakPolarHBondContact CZ-CD2 3.49Å; F275-H284 AromaticContact CZ-CG 3.28Å; F275-H284 AromaticContact CZ-ND1 3.89Å |
| 276 | T | 84.6 | Confident | 87.9 | Confident | 56 Ų | 56 | 75 Ų | 75 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -69.1 | -24.2 | 174.5 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | L259 | L259-T276 HydrophobicContact CB-CG2 4.16Å; L259-T276 HydrophobicContact CD2-CG2 3.42Å; L259-T276 VanDerWaalsContact CD2-CG2 3.42Å; L259-T276 HydrophobicContact CG-CG2 4.37Å |
| 277 | Q | 82.1 | Confident | 88 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 34% | 0.341 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -140.8 | 131 | -168.2 | -66.9 | 177.8 | -6.8 | 0 | 0 | 112 | N255 F275 H279 T280 L281 | N255-Q277 PolarHBondContact ND2-NE2 3.41Å; F275-Q277 VanDerWaalsContact C-N 3.27Å; F275-Q277 PolarHBondContact O-N 3.35Å; Q277-H279 VanDerWaalsContact C-N 3.28Å; Q277-H279 PolarHBondContact O-N 3.41Å; Q277-H279 VanDerWaalsContact O-N 3.16Å; Q277-H279 PolarHBondContact OE1-CE1 2.91Å; Q277-T280 HydrophobicContact CB-CG2 4.27Å; Q277-T280 PolarHBondContact O-N 3.32Å; Q277-T280 PolarHBondContact O-OG1 2.74Å; Q277-L281 PolarHBondContact O-N 3.11Å |
| 278 | R | 87.9 | Confident | 87.8 | Confident | 161 Ų | 161 | 71.9 Ų | 71.9 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -52.2 | -40.5 | -176.6 | -174.4 | 176.7 | 174.6 | 83.9 | -0.7 | 113.9 | F266 T280 L281 I282 | F266-R278 HydrophobicContact CD1-CB 4.01Å; F266-R278 HydrophobicContact CD1-CG 4.39Å; F266-R278 HydrophobicContact CD2-CB 4.42Å; F266-R278 VanDerWaalsContact CD2-N 3.34Å; F266-R278 HydrophobicContact CE1-CB 3.85Å; F266-R278 HydrophobicContact CE1-CG 4.39Å; F266-R278 HydrophobicContact CE2-CB 4.27Å; F266-R278 HydrophobicContact CG-CB 4.3Å; F266-R278 HydrophobicContact CZ-CB 3.99Å; R278-T280 VanDerWaalsContact C-N 3.31Å; R278-T280 PolarHBondContact O-N 2.96Å; R278-L281 WeakPolarHBondContact O-CB 3.32Å; R278-L281 PolarHBondContact O-N 3Å; R278-I282 HydrophobicContact CG-CD1 4.07Å; R278-I282 WeakPolarHBondContact O-CG1 3.49Å; R278-I282 PolarHBondContact O-N 3.45Å |
| 279 | H | 86.2 | Confident | 87.8 | Confident | 109 Ų | 109 | 74.9 Ų | 74.9 | 51% | 0.505 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.2 | -31.9 | -179.9 | 72.5 | -102.8 | 0 | 0 | 0 | 112.7 | Q277 I282 I283 | Q277-H279 VanDerWaalsContact C-N 3.28Å; Q277-H279 PolarHBondContact O-N 3.41Å; Q277-H279 VanDerWaalsContact O-N 3.16Å; Q277-H279 PolarHBondContact OE1-CE1 2.91Å; H279-I282 PolarHBondContact O-N 3.36Å; H279-I283 WeakPolarHBondContact O-CG1 3.4Å; H279-I283 PolarHBondContact O-N 3.5Å |
| 280 | T | 85.6 | Confident | 87.6 | Confident | 42 Ų | 42 | 73 Ų | 73 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.2 | -33 | 175.4 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | Q277 R278 H284 | Q277-T280 HydrophobicContact CB-CG2 4.27Å; Q277-T280 PolarHBondContact O-N 3.32Å; Q277-T280 PolarHBondContact O-OG1 2.74Å; R278-T280 VanDerWaalsContact C-N 3.31Å; R278-T280 PolarHBondContact O-N 2.96Å; T280-H284 WeakPolarHBondContact O-CB 3.35Å; T280-H284 PolarHBondContact O-N 3.1Å |
| 281 | L | 86.6 | Confident | 87.3 | Confident | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 169.3 | 171.3 | 62.2 | 0 | 0 | 0 | 111.5 | F266 Q267 C268 F275 Q277 R278 I283 H284 E285 | F266-L281 HydrophobicContact CB-CB 4.16Å; F266-L281 HydrophobicContact CB-CD2 3.79Å; Q267-L281 VanDerWaalsContact O-CD2 3.31Å; Q267-L281 WeakPolarHBondContact O-CD2 3.26Å; C268-L281 VanDerWaalsContact CA-CD1 3.49Å; C268-L281 HydrophobicContact CB-CD1 3.58Å; F275-L281 HydrophobicContact CB-CB 4.17Å; F275-L281 HydrophobicContact CD2-CB 3.94Å; F275-L281 HydrophobicContact CD2-CD1 3.7Å; F275-L281 HydrophobicContact CD2-CG 4.42Å; F275-L281 HydrophobicContact CE2-CD1 3.88Å; F275-L281 HydrophobicContact CG-CB 4.11Å; Q277-L281 PolarHBondContact O-N 3.11Å; R278-L281 WeakPolarHBondContact O-CB 3.32Å; R278-L281 PolarHBondContact O-N 3Å; L281-I283 VanDerWaalsContact C-N 3.35Å; L281-I283 PolarHBondContact O-N 3.36Å; L281-H284 WeakPolarHBondContact O-CA 3.43Å; L281-H284 WeakPolarHBondContact O-CB 3.15Å; L281-H284 PolarHBondContact O-N 3.43Å; L281-H284 VanDerWaalsContact O-N 3.08Å; L281-E285 HydrophobicContact CD1-CG 3.81Å; L281-E285 HydrophobicContact CG-CG 4.39Å; L281-E285 PolarHBondContact O-N 3.47Å |
| 282 | I | 89.5 | Confident | 87 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.9 | -48.6 | -179.8 | -68.4 | 165.8 | 0 | 0 | 0 | 110.5 | R278 H279 H284 E285 E286 | R278-I282 HydrophobicContact CG-CD1 4.07Å; R278-I282 WeakPolarHBondContact O-CG1 3.49Å; R278-I282 PolarHBondContact O-N 3.45Å; H279-I282 PolarHBondContact O-N 3.36Å; I282-H284 VanDerWaalsContact C-N 3.29Å; I282-H284 PolarHBondContact O-N 3.3Å; I282-E285 PolarHBondContact O-N 3.07Å; I282-E286 HydrophobicContact CG2-CG 4.35Å; I282-E286 WeakPolarHBondContact O-CB 3.29Å; I282-E286 WeakPolarHBondContact O-CG 3.14Å; I282-E286 PolarHBondContact O-N 3.05Å |
| 283 | I | 86.2 | Confident | 87 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 30% | 0.303 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.7 | -42.9 | 175.5 | -72.4 | 167.2 | 0 | 0 | 0 | 111.1 | H279 L281 C287 A304 | H279-I283 WeakPolarHBondContact O-CG1 3.4Å; H279-I283 PolarHBondContact O-N 3.5Å; L281-I283 VanDerWaalsContact C-N 3.35Å; L281-I283 PolarHBondContact O-N 3.36Å; I283-C287 WeakPolarHBondContact O-CB 3.21Å; I283-C287 PolarHBondContact O-N 3.22Å; I283-C287 PolarHBondContact O-SG 2.94Å; I283-A304 VanDerWaalsContact CG2-O 3.28Å; I283-A304 WeakPolarHBondContact CG2-O 3.46Å |
| 284 | H | 87.7 | Confident | 87 | Confident | 20 Ų | 20 | 66 Ų | 66 | 9% | 0.093 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 176.3 | 168.4 | 65 | 0 | 0 | 0 | 112.3 | C271 F275 T280 L281 I282 C287 V288 H289 | C271-H284 PolarHBondContact SG-NE2 3.06Å; F275-H284 HydrophobicContact CE1-CB 3.9Å; F275-H284 HydrophobicContact CE2-CB 4.04Å; F275-H284 AromaticContact CE2-CD2 3.44Å; F275-H284 VanDerWaalsContact CE2-CD2 3.44Å; F275-H284 WeakPolarHBondContact CE2-CD2 3.19Å; F275-H284 AromaticContact CE2-CG 3.77Å; F275-H284 HydrophobicContact CZ-CB 3.45Å; F275-H284 VanDerWaalsContact CZ-CB 3.45Å; F275-H284 AromaticContact CZ-CD2 3.44Å; F275-H284 VanDerWaalsContact CZ-CD2 3.44Å; F275-H284 WeakPolarHBondContact CZ-CD2 3.49Å; F275-H284 AromaticContact CZ-CG 3.28Å; F275-H284 AromaticContact CZ-ND1 3.89Å; T280-H284 WeakPolarHBondContact O-CB 3.35Å; T280-H284 PolarHBondContact O-N 3.1Å; L281-H284 WeakPolarHBondContact O-CA 3.43Å; L281-H284 WeakPolarHBondContact O-CB 3.15Å; L281-H284 PolarHBondContact O-N 3.43Å; L281-H284 VanDerWaalsContact O-N 3.08Å; I282-H284 VanDerWaalsContact C-N 3.29Å; I282-H284 PolarHBondContact O-N 3.3Å; H284-C287 PolarHBondContact O-N 3.19Å; H284-V288 WeakPolarHBondContact ND1-CG2 3.48Å; H284-V288 VanDerWaalsContact O-CB 3.25Å; H284-V288 WeakPolarHBondContact O-CB 3.3Å; H284-V288 WeakPolarHBondContact O-CG2 3.16Å; H284-V288 PolarHBondContact O-N 2.85Å; H284-H289 AromaticContact CE1-NE2 3.75Å; H284-H289 AromaticContact NE2-CD2 3.8Å; H284-H289 AromaticContact NE2-NE2 3.3Å; H284-H289 PolarHBondContact NE2-NE2 3.47Å |
| 285 | E | 88 | Confident | 87.2 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -64.6 | -43.6 | 180 | -70.9 | -174.7 | 156.3 | 0 | 0 | 112.3 | C268 H269 Y270 L281 I282 H289 K290 | C268-E285 WeakPolarHBondContact CA-OE1 3.35Å; C268-E285 VanDerWaalsContact SG-CG 3.59Å; C268-E285 PolarHBondContact SG-OE1 3.14Å; C268-E285 VanDerWaalsContact SG-OE1 3.36Å; H269-E285 IonicContact CE1-OE1 3.15Å; H269-E285 IonicContact CG-OE1 3.79Å; H269-E285 PolarHBondContact N-OE1 3.36Å; H269-E285 IonicContact ND1-OE1 3.86Å; H269-E285 PolarHBondContact ND1-OE1 3.09Å; H269-E285 IonicContact ND1-OE2 3.61Å; Y270-E285 HydrophobicContact CD2-CG 4.19Å; Y270-E285 HydrophobicContact CE2-CB 4.47Å; Y270-E285 HydrophobicContact CE2-CG 4.36Å; L281-E285 HydrophobicContact CD1-CG 3.81Å; L281-E285 HydrophobicContact CG-CG 4.39Å; L281-E285 PolarHBondContact O-N 3.47Å; I282-E285 PolarHBondContact O-N 3.07Å; E285-H289 WeakPolarHBondContact O-CB 3.45Å; E285-H289 PolarHBondContact O-N 2.9Å; E285-H289 VanDerWaalsContact O-N 3.1Å; E285-K290 PolarHBondContact O-N 2.92Å |
| 286 | E | 89.9 | Confident | 87.4 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -59.3 | -49.3 | 173.9 | -74 | 177.7 | 171.1 | 0 | 0 | 111.8 | I282 K290 G291 I292 | I282-E286 HydrophobicContact CG2-CG 4.35Å; I282-E286 WeakPolarHBondContact O-CB 3.29Å; I282-E286 WeakPolarHBondContact O-CG 3.14Å; I282-E286 PolarHBondContact O-N 3.05Å; E286-K290 CarbonylContact O-C 3.59Å; E286-K290 WeakPolarHBondContact O-CB 3.47Å; E286-K290 PolarHBondContact O-N 3.2Å; E286-G291 PolarHBondContact O-N 3.2Å; E286-I292 HydrophobicContact CB-CB 4.17Å; E286-I292 HydrophobicContact CG-CD1 4.4Å; E286-I292 PolarHBondContact O-N 3.31Å |
| 287 | C | 87.9 | Confident | 87.8 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 10% | 0.095 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -84.3 | -30.3 | -169.1 | -61.4 | 0 | 0 | 0 | 0 | 114.8 | I283 H284 I292 A304 | I283-C287 WeakPolarHBondContact O-CB 3.21Å; I283-C287 PolarHBondContact O-N 3.22Å; I283-C287 PolarHBondContact O-SG 2.94Å; H284-C287 PolarHBondContact O-N 3.19Å; C287-I292 WeakPolarHBondContact CA-O 3.4Å; C287-I292 PolarHBondContact SG-O 3.43Å; C287-A304 HydrophobicContact CB-CB 3.94Å; C287-A304 WeakPolarHBondContact SG-CA 3.49Å; C287-A304 VanDerWaalsContact SG-CB 3.6Å; C287-A304 PolarHBondContact SG-O 3.41Å |
| 288 | V | 87.1 | Confident | 88.1 | Confident | 91 Ų | 91 | 71 Ų | 71 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | I | π-helix | trans | -98.9 | -40.1 | -175.9 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | H284 | H284-V288 WeakPolarHBondContact ND1-CG2 3.48Å; H284-V288 VanDerWaalsContact O-CB 3.25Å; H284-V288 WeakPolarHBondContact O-CB 3.3Å; H284-V288 WeakPolarHBondContact O-CG2 3.16Å; H284-V288 PolarHBondContact O-N 2.85Å |
| 289 | H | 89.5 | Confident | 88.3 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 32% | 0.319 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -103.5 | -34 | -172.9 | -59.7 | -64.1 | 0 | 0 | 0 | 113.1 | Y270 H284 E285 | Y270-H289 WeakPolarHBondContact CB-ND1 3.46Å; Y270-H289 HydrophobicContact CD2-CB 3.67Å; Y270-H289 AromaticContact CD2-CD2 3.75Å; Y270-H289 AromaticContact CD2-CG 3.7Å; Y270-H289 HydrophobicContact CE2-CB 4.16Å; Y270-H289 HydrophobicContact CG-CB 3.94Å; Y270-H289 AromaticContact CG-CG 3.79Å; H284-H289 AromaticContact CE1-NE2 3.75Å; H284-H289 AromaticContact NE2-CD2 3.8Å; H284-H289 AromaticContact NE2-NE2 3.3Å; H284-H289 PolarHBondContact NE2-NE2 3.47Å; E285-H289 WeakPolarHBondContact O-CB 3.45Å; E285-H289 PolarHBondContact O-N 2.9Å; E285-H289 VanDerWaalsContact O-N 3.1Å |
| 290 | K | 89.4 | Confident | 88.5 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 52% | 0.517 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -95.7 | -8.8 | 175.2 | -54.6 | 178.4 | -177 | 175.1 | 0 | 114 | E285 E286 I292 | E285-K290 PolarHBondContact O-N 2.92Å; E286-K290 CarbonylContact O-C 3.59Å; E286-K290 WeakPolarHBondContact O-CB 3.47Å; E286-K290 PolarHBondContact O-N 3.2Å; K290-I292 HydrophobicContact CB-CD1 3.82Å; K290-I292 HydrophobicContact CB-CG1 3.89Å; K290-I292 HydrophobicContact CD-CD1 4.02Å; K290-I292 PolarHBondContact O-N 2.95Å; K290-I292 VanDerWaalsContact O-N 3.15Å |
| 291 | G | 84.7 | Confident | 88.6 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 54% | 0.536 | 37% | 0.373 | S | S | . | . | trans | 65.8 | 9.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | E286 K293 | E286-G291 PolarHBondContact O-N 3.2Å; G291-K293 PolarHBondContact O-N 3.38Å | ||
| 292 | I | 85.3 | Confident | 88.7 | Confident | 93 Ų | 93 | 74.2 Ų | 74.2 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | trans | -71 | 113.6 | -180 | -61.1 | 170.4 | 0 | 0 | 0 | 108 | E286 C287 K290 | E286-I292 HydrophobicContact CB-CB 4.17Å; E286-I292 HydrophobicContact CG-CD1 4.4Å; E286-I292 PolarHBondContact O-N 3.31Å; C287-I292 WeakPolarHBondContact CA-O 3.4Å; C287-I292 PolarHBondContact SG-O 3.43Å; K290-I292 HydrophobicContact CB-CD1 3.82Å; K290-I292 HydrophobicContact CB-CG1 3.89Å; K290-I292 HydrophobicContact CD-CD1 4.02Å; K290-I292 PolarHBondContact O-N 2.95Å; K290-I292 VanDerWaalsContact O-N 3.15Å | ||
| 293 | K | 89.1 | Confident | 88.6 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | trans | -135.8 | 145.6 | 178.5 | -64.6 | -176.7 | -178.2 | -177.5 | 0 | 109.9 | G291 S295 K302 F303 | G291-K293 PolarHBondContact O-N 3.38Å; K293-S295 PolarHBondContact O-N 3.47Å; K293-K302 HydrophobicContact CB-CB 3.68Å; K293-K302 HydrophobicContact CD-CB 4.28Å; K293-F303 CarbonylContact C-O 3.37Å; K293-F303 WeakPolarHBondContact CA-O 3.07Å | ||
| 294 | I | 87.2 | Confident | 88.5 | Confident | 55 Ų | 55 | 71 Ų | 71 | 28% | 0.282 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.4 | -178 | -41.5 | -176.1 | 0 | 0 | 0 | 108.9 | K302 F303 R306 L309 | I294-K302 CarbonylContact O-C 3.52Å; I294-K302 WeakPolarHBondContact O-CA 3.25Å; I294-F303 PolarHBondContact N-O 3.3Å; I294-F303 PolarHBondContact O-N 3.3Å; I294-R306 HydrophobicContact CD1-CB 4.3Å; I294-R306 HydrophobicContact CD1-CG 3.41Å; I294-R306 VanDerWaalsContact CD1-CG 3.41Å; I294-L309 HydrophobicContact CB-CD2 4.21Å; I294-L309 HydrophobicContact CG2-CD2 3.55Å |
| 295 | S | 91 | Very high | 88.2 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 149.6 | 177.8 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | K293 L309 | K293-S295 PolarHBondContact O-N 3.47Å; S295-L309 WeakPolarHBondContact O-CD2 3.42Å |
| 296 | C | 90.6 | Very high | 88.1 | Confident | 10 Ų | 10 | 79 Ų | 79 | 7% | 0.068 | 42% | 0.417 | C | S | . | . | trans | -80.1 | 143.4 | 163.1 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | H298 C299 K301 F303 L309 | C296-H298 VanDerWaalsContact C-N 3.3Å; C296-H298 PolarHBondContact SG-N 2.9Å; C296-C299 WeakPolarHBondContact CB-O 3.25Å; C296-K301 PolarHBondContact N-O 2.87Å; C296-F303 HydrophobicContact CB-CE2 4.25Å; C296-L309 HydrophobicContact CB-CD1 3.69Å | ||
| 297 | N | 93 | Very high | 87.6 | Confident | 149 Ų | 149 | 81.4 Ų | 81.4 | 80% | 0.797 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -83.5 | -8.7 | 178.4 | -63.7 | 0.6 | 0 | 0 | 0 | 112.7 | ||
| 298 | H | 88.3 | Confident | 87.2 | Confident | 125 Ų | 125 | 85.7 Ų | 85.7 | 58% | 0.579 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -112.1 | -10.8 | -177.8 | -56.5 | -74.2 | 0 | 0 | 0 | 113.5 | C296 H317 | C296-H298 VanDerWaalsContact C-N 3.3Å; C296-H298 PolarHBondContact SG-N 2.9Å; H298-H317 HydrophobicContact CB-CB 4.42Å; H298-H317 VanDerWaalsContact CB-CE1 3.44Å; H298-H317 WeakPolarHBondContact CB-CE1 3.46Å; H298-H317 WeakPolarHBondContact CB-ND1 3.5Å |
| 299 | C | 91.1 | Very high | 87.1 | Confident | 42 Ų | 42 | 82.4 Ų | 82.4 | 28% | 0.284 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -158.9 | 166.4 | 174.5 | 73 | 0 | 0 | 0 | 0 | 111.8 | C296 K301 H312 H317 | C296-C299 WeakPolarHBondContact CB-O 3.25Å; C299-K301 PolarHBondContact O-N 3.15Å; C299-H312 PolarHBondContact SG-NE2 3.24Å; C299-H317 PolarHBondContact SG-NE2 3.39Å |
| 300 | S | 90.8 | Very high | 87 | Confident | 124 Ų | 124 | 86 Ų | 86 | 87% | 0.867 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -69.8 | 5.1 | -176.2 | -41.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 301 | K | 88.8 | Confident | 86.6 | Confident | 98 Ų | 98 | 82.4 Ų | 82.4 | 43% | 0.426 | 42% | 0.416 | S | S | . | . | trans | -75.4 | 145.3 | -179.1 | -66.1 | -163 | 177.8 | -165.6 | 0 | 111.6 | C296 C299 F303 | C296-K301 PolarHBondContact N-O 2.87Å; C299-K301 PolarHBondContact O-N 3.15Å; K301-F303 HydrophobicContact CB-CE2 3.63Å; K301-F303 HydrophobicContact CB-CZ 3.73Å; K301-F303 HydrophobicContact CD-CZ 4.34Å | ||
| 302 | K | 88 | Confident | 86.6 | Confident | 124 Ų | 124 | 80.5 Ų | 80.5 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.6 | 179.9 | -53.7 | -173.2 | 178.3 | -179.1 | 0 | 110.8 | K293 I294 | K293-K302 HydrophobicContact CB-CB 3.68Å; K293-K302 HydrophobicContact CD-CB 4.28Å; I294-K302 CarbonylContact O-C 3.52Å; I294-K302 WeakPolarHBondContact O-CA 3.25Å |
| 303 | F | 86.3 | Confident | 86.6 | Confident | 16 Ų | 16 | 77.7 Ų | 77.7 | 7% | 0.07 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151 | -167.9 | -63.6 | -87.4 | 0 | 0 | 0 | 112.6 | K293 I294 C296 K301 S305 L309 H312 | K293-F303 CarbonylContact C-O 3.37Å; K293-F303 WeakPolarHBondContact CA-O 3.07Å; I294-F303 PolarHBondContact N-O 3.3Å; I294-F303 PolarHBondContact O-N 3.3Å; C296-F303 HydrophobicContact CB-CE2 4.25Å; K301-F303 HydrophobicContact CB-CE2 3.63Å; K301-F303 HydrophobicContact CB-CZ 3.73Å; K301-F303 HydrophobicContact CD-CZ 4.34Å; F303-S305 VanDerWaalsContact C-N 3.31Å; F303-S305 PolarHBondContact O-N 3.03Å; F303-L309 HydrophobicContact CB-CB 4.05Å; F303-L309 HydrophobicContact CD2-CB 4.06Å; F303-L309 HydrophobicContact CD2-CD1 3.64Å; F303-L309 HydrophobicContact CD2-CG 4.43Å; F303-L309 HydrophobicContact CE2-CD1 3.98Å; F303-L309 HydrophobicContact CG-CB 4.12Å; F303-H312 HydrophobicContact CD1-CB 4.41Å; F303-H312 HydrophobicContact CE1-CB 3.64Å; F303-H312 AromaticContact CE1-CG 3.85Å; F303-H312 HydrophobicContact CE2-CB 4.12Å; F303-H312 AromaticContact CE2-CD2 3.19Å; F303-H312 WeakPolarHBondContact CE2-CD2 3.37Å; F303-H312 AromaticContact CE2-CG 3.71Å; F303-H312 AromaticContact CE2-NE2 3.8Å; F303-H312 HydrophobicContact CZ-CB 3.49Å; F303-H312 VanDerWaalsContact CZ-CB 3.49Å; F303-H312 AromaticContact CZ-CD2 3.15Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.49Å; F303-H312 AromaticContact CZ-CG 3.16Å; F303-H312 AromaticContact CZ-ND1 3.78Å; F303-H312 AromaticContact CZ-NE2 3.73Å |
| 304 | A | 83.9 | Confident | 86.3 | Confident | 39 Ų | 39 | 74.7 Ų | 74.7 | 32% | 0.322 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -75.1 | -16 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I283 C287 | I283-A304 VanDerWaalsContact CG2-O 3.28Å; I283-A304 WeakPolarHBondContact CG2-O 3.46Å; C287-A304 HydrophobicContact CB-CB 3.94Å; C287-A304 WeakPolarHBondContact SG-CA 3.49Å; C287-A304 VanDerWaalsContact SG-CB 3.6Å; C287-A304 PolarHBondContact SG-O 3.41Å |
| 305 | S | 82.6 | Confident | 85.9 | Confident | 17 Ų | 17 | 73.5 Ų | 73.5 | 12% | 0.119 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -151.2 | 158.5 | 179.3 | 80.7 | 0 | 0 | 0 | 0 | 112.1 | F303 W307 Y308 L309 | F303-S305 VanDerWaalsContact C-N 3.31Å; F303-S305 PolarHBondContact O-N 3.03Å; S305-W307 PolarHBondContact O-N 3.05Å; S305-W307 PolarHBondContact OG-N 3.11Å; S305-Y308 PolarHBondContact O-N 3.23Å; S305-Y308 WeakPolarHBondContact OG-CD2 3.33Å; S305-Y308 PolarHBondContact OG-N 3.5Å; S305-L309 PolarHBondContact O-N 2.83Å |
| 306 | R | 84.7 | Confident | 85.4 | Confident | 194 Ų | 194 | 74.9 Ų | 74.9 | 73% | 0.732 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.4 | -29.2 | 172.9 | -71.7 | -174.5 | 168.2 | 84.5 | -2.4 | 112.1 | I294 K310 | I294-R306 HydrophobicContact CD1-CB 4.3Å; I294-R306 HydrophobicContact CD1-CG 3.41Å; I294-R306 VanDerWaalsContact CD1-CG 3.41Å; R306-K310 WeakPolarHBondContact O-CB 3.45Å; R306-K310 PolarHBondContact O-N 3.04Å |
| 307 | W | 80.4 | Confident | 85.2 | Confident | 122 Ų | 122 | 77.6 Ų | 77.6 | 46% | 0.462 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.8 | -53.8 | 174.9 | 179.2 | -87.9 | 0 | 0 | 0 | 111.2 | T168 S305 L309 K310 E311 | T168-W307 HydrophobicContact CG2-CH2 4.26Å; S305-W307 PolarHBondContact O-N 3.05Å; S305-W307 PolarHBondContact OG-N 3.11Å; W307-L309 VanDerWaalsContact C-N 3.33Å; W307-L309 PolarHBondContact O-N 2.87Å; W307-K310 PolarHBondContact O-N 3.17Å; W307-K310 VanDerWaalsContact O-N 3.15Å; W307-E311 WeakPolarHBondContact O-CB 3.38Å; W307-E311 PolarHBondContact O-N 3.35Å |
| 308 | Y | 80.1 | Confident | 84.9 | Confident | 103 Ų | 103 | 75.4 Ų | 75.4 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -36 | -179.3 | -63.7 | -52.7 | 0 | 0 | 0 | 112.5 | S305 H312 | S305-Y308 PolarHBondContact O-N 3.23Å; S305-Y308 WeakPolarHBondContact OG-CD2 3.33Å; S305-Y308 PolarHBondContact OG-N 3.5Å; Y308-H312 VanDerWaalsContact O-CB 3.29Å; Y308-H312 WeakPolarHBondContact O-CB 3.2Å; Y308-H312 PolarHBondContact O-N 3.38Å |
| 309 | L | 85.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 71.9 Ų | 71.9 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 172.2 | 173.5 | 59.4 | 0 | 0 | 0 | 111.7 | I294 S295 C296 F303 S305 W307 H312 I313 | I294-L309 HydrophobicContact CB-CD2 4.21Å; I294-L309 HydrophobicContact CG2-CD2 3.55Å; S295-L309 WeakPolarHBondContact O-CD2 3.42Å; C296-L309 HydrophobicContact CB-CD1 3.69Å; F303-L309 HydrophobicContact CB-CB 4.05Å; F303-L309 HydrophobicContact CD2-CB 4.06Å; F303-L309 HydrophobicContact CD2-CD1 3.64Å; F303-L309 HydrophobicContact CD2-CG 4.43Å; F303-L309 HydrophobicContact CE2-CD1 3.98Å; F303-L309 HydrophobicContact CG-CB 4.12Å; S305-L309 PolarHBondContact O-N 2.83Å; W307-L309 VanDerWaalsContact C-N 3.33Å; W307-L309 PolarHBondContact O-N 2.87Å; L309-H312 WeakPolarHBondContact O-CB 3.48Å; L309-H312 PolarHBondContact O-N 3Å; L309-I313 HydrophobicContact CD1-CD1 3.82Å; L309-I313 HydrophobicContact CD1-CG1 4.09Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 3.45Å |
| 310 | K | 86.4 | Confident | 83.8 | Confident | 146 Ų | 146 | 74.7 Ų | 74.7 | 64% | 0.635 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.5 | -46.8 | 178.9 | -178.1 | 173.7 | -179.3 | 173.2 | 0 | 111.6 | R306 W307 H312 I313 T314 | R306-K310 WeakPolarHBondContact O-CB 3.45Å; R306-K310 PolarHBondContact O-N 3.04Å; W307-K310 PolarHBondContact O-N 3.17Å; W307-K310 VanDerWaalsContact O-N 3.15Å; K310-H312 VanDerWaalsContact C-N 3.31Å; K310-H312 PolarHBondContact O-N 3.28Å; K310-I313 PolarHBondContact O-N 3.19Å; K310-T314 PolarHBondContact O-N 2.78Å; K310-T314 PolarHBondContact O-OG1 3.17Å |
| 311 | E | 81.1 | Confident | 83.3 | Confident | 42 Ų | 42 | 71.8 Ų | 71.8 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56 | -46.3 | 174.9 | 179.2 | 168.5 | -148 | 0 | 0 | 110.9 | W307 I313 T314 I315 | W307-E311 WeakPolarHBondContact O-CB 3.38Å; W307-E311 PolarHBondContact O-N 3.35Å; E311-I313 PolarHBondContact O-N 3.28Å; E311-T314 PolarHBondContact O-N 3.02Å; E311-I315 HydrophobicContact CG-CD1 3.57Å; E311-I315 WeakPolarHBondContact O-CB 3.25Å; E311-I315 VanDerWaalsContact O-CD1 3.26Å; E311-I315 WeakPolarHBondContact O-CD1 3.44Å; E311-I315 WeakPolarHBondContact O-CG1 3.44Å; E311-I315 PolarHBondContact O-N 3.15Å |
| 312 | H | 84.2 | Confident | 82.8 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 6% | 0.06 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 174 | 163.4 | 59.7 | 0 | 0 | 0 | 113.5 | C299 F303 Y308 L309 K310 I315 V316 H317 | C299-H312 PolarHBondContact SG-NE2 3.24Å; F303-H312 HydrophobicContact CD1-CB 4.41Å; F303-H312 HydrophobicContact CE1-CB 3.64Å; F303-H312 AromaticContact CE1-CG 3.85Å; F303-H312 HydrophobicContact CE2-CB 4.12Å; F303-H312 AromaticContact CE2-CD2 3.19Å; F303-H312 WeakPolarHBondContact CE2-CD2 3.37Å; F303-H312 AromaticContact CE2-CG 3.71Å; F303-H312 AromaticContact CE2-NE2 3.8Å; F303-H312 HydrophobicContact CZ-CB 3.49Å; F303-H312 VanDerWaalsContact CZ-CB 3.49Å; F303-H312 AromaticContact CZ-CD2 3.15Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.49Å; F303-H312 AromaticContact CZ-CG 3.16Å; F303-H312 AromaticContact CZ-ND1 3.78Å; F303-H312 AromaticContact CZ-NE2 3.73Å; Y308-H312 VanDerWaalsContact O-CB 3.29Å; Y308-H312 WeakPolarHBondContact O-CB 3.2Å; Y308-H312 PolarHBondContact O-N 3.38Å; L309-H312 WeakPolarHBondContact O-CB 3.48Å; L309-H312 PolarHBondContact O-N 3Å; K310-H312 VanDerWaalsContact C-N 3.31Å; K310-H312 PolarHBondContact O-N 3.28Å; H312-I315 PolarHBondContact O-N 2.85Å; H312-V316 VanDerWaalsContact ND1-CG2 3.35Å; H312-V316 WeakPolarHBondContact ND1-CG2 3.45Å; H312-V316 VanDerWaalsContact O-CB 3.32Å; H312-V316 WeakPolarHBondContact O-CB 3.37Å; H312-V316 WeakPolarHBondContact O-CG2 3.44Å; H312-V316 PolarHBondContact O-N 3Å; H312-H317 AromaticContact CE1-NE2 3.63Å; H312-H317 AromaticContact NE2-CD2 3.77Å; H312-H317 AromaticContact NE2-NE2 3.39Å; H312-H317 PolarHBondContact NE2-NE2 2.96Å |
| 313 | I | 85.7 | Confident | 82.7 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 17% | 0.174 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 178.1 | -70.5 | 167.5 | 0 | 0 | 0 | 110.3 | L309 K310 E311 I315 V316 H317 E318 | L309-I313 HydrophobicContact CD1-CD1 3.82Å; L309-I313 HydrophobicContact CD1-CG1 4.09Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 3.45Å; K310-I313 PolarHBondContact O-N 3.19Å; E311-I313 PolarHBondContact O-N 3.28Å; I313-I315 VanDerWaalsContact C-N 3.31Å; I313-I315 PolarHBondContact O-N 2.83Å; I313-V316 PolarHBondContact O-N 3.3Å; I313-H317 HydrophobicContact CG2-CB 4.4Å; I313-H317 WeakPolarHBondContact O-CA 3.46Å; I313-H317 WeakPolarHBondContact O-CB 3.44Å; I313-H317 PolarHBondContact O-N 3.06Å; I313-E318 HydrophobicContact CG2-CG 4.13Å; I313-E318 PolarHBondContact O-N 3.42Å |
| 314 | T | 82.9 | Confident | 82.5 | Confident | 38 Ų | 38 | 69.9 Ų | 69.9 | 23% | 0.233 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.7 | -38 | 179.1 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | K310 E311 E318 G319 N320 | K310-T314 PolarHBondContact O-N 2.78Å; K310-T314 PolarHBondContact O-OG1 3.17Å; E311-T314 PolarHBondContact O-N 3.02Å; T314-E318 VanDerWaalsContact CA-OE2 3.24Å; T314-E318 WeakPolarHBondContact CA-OE2 3.47Å; T314-E318 WeakPolarHBondContact CB-OE2 3.35Å; T314-E318 PolarHBondContact OG1-OE2 3.36Å; T314-G319 PolarHBondContact O-N 3.03Å; T314-N320 HydrophobicContact CG2-CB 3.53Å; T314-N320 PolarHBondContact O-N 3.08Å |
| 315 | I | 78 | Confident | 82.7 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.4 | -50.9 | 177.9 | -67.8 | 162.3 | 0 | 0 | 0 | 112.4 | E311 H312 I313 L321 N332 | E311-I315 HydrophobicContact CG-CD1 3.57Å; E311-I315 WeakPolarHBondContact O-CB 3.25Å; E311-I315 VanDerWaalsContact O-CD1 3.26Å; E311-I315 WeakPolarHBondContact O-CD1 3.44Å; E311-I315 WeakPolarHBondContact O-CG1 3.44Å; E311-I315 PolarHBondContact O-N 3.15Å; H312-I315 PolarHBondContact O-N 2.85Å; I313-I315 VanDerWaalsContact C-N 3.31Å; I313-I315 PolarHBondContact O-N 2.83Å; I315-L321 HydrophobicContact CB-CD2 4.47Å; I315-L321 HydrophobicContact CG1-CD2 4.34Å; I315-L321 HydrophobicContact CG2-CD2 4.14Å; I315-N332 HydrophobicContact CD1-CB 3.49Å; I315-N332 VanDerWaalsContact CD1-CB 3.49Å; I315-N332 HydrophobicContact CG1-CB 3.67Å |
| 316 | V | 81.1 | Confident | 82.8 | Confident | 84 Ų | 84 | 82.6 Ų | 82.6 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -98.4 | -30.6 | -162.1 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | H312 I313 | H312-V316 VanDerWaalsContact ND1-CG2 3.35Å; H312-V316 WeakPolarHBondContact ND1-CG2 3.45Å; H312-V316 VanDerWaalsContact O-CB 3.32Å; H312-V316 WeakPolarHBondContact O-CB 3.37Å; H312-V316 WeakPolarHBondContact O-CG2 3.44Å; H312-V316 PolarHBondContact O-N 3Å; I313-V316 PolarHBondContact O-N 3.3Å |
| 317 | H | 86.4 | Confident | 82.8 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -35.4 | -173.8 | -63.8 | -60.2 | 0 | 0 | 0 | 112.8 | H298 C299 H312 I313 | H298-H317 HydrophobicContact CB-CB 4.42Å; H298-H317 VanDerWaalsContact CB-CE1 3.44Å; H298-H317 WeakPolarHBondContact CB-CE1 3.46Å; H298-H317 WeakPolarHBondContact CB-ND1 3.5Å; C299-H317 PolarHBondContact SG-NE2 3.39Å; H312-H317 AromaticContact CE1-NE2 3.63Å; H312-H317 AromaticContact NE2-CD2 3.77Å; H312-H317 AromaticContact NE2-NE2 3.39Å; H312-H317 PolarHBondContact NE2-NE2 2.96Å; I313-H317 HydrophobicContact CG2-CB 4.4Å; I313-H317 WeakPolarHBondContact O-CA 3.46Å; I313-H317 WeakPolarHBondContact O-CB 3.44Å; I313-H317 PolarHBondContact O-N 3.06Å |
| 318 | E | 86.8 | Confident | 83 | Confident | 102 Ų | 102 | 73 Ų | 73 | 48% | 0.477 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -89 | -20.4 | 174.5 | -53.8 | 174.5 | 167.7 | 0 | 0 | 113 | I313 T314 N320 | I313-E318 HydrophobicContact CG2-CG 4.13Å; I313-E318 PolarHBondContact O-N 3.42Å; T314-E318 VanDerWaalsContact CA-OE2 3.24Å; T314-E318 WeakPolarHBondContact CA-OE2 3.47Å; T314-E318 WeakPolarHBondContact CB-OE2 3.35Å; T314-E318 PolarHBondContact OG1-OE2 3.36Å; E318-N320 HydrophobicContact CB-CB 4.2Å; E318-N320 VanDerWaalsContact CB-ND2 3.35Å; E318-N320 WeakPolarHBondContact CB-ND2 3.45Å; E318-N320 PolarHBondContact O-N 3.41Å; E318-N320 PolarHBondContact OE2-ND2 3.03Å |
| 319 | G | 76.9 | Confident | 83 | Confident | 52 Ų | 52 | 75.9 Ų | 75.9 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | trans | 66.3 | 16.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T314 L321 | T314-G319 PolarHBondContact O-N 3.03Å; G319-L321 PolarHBondContact O-N 3.2Å | ||
| 320 | N | 78.6 | Confident | 82.9 | Confident | 100 Ų | 100 | 77.5 Ų | 77.5 | 54% | 0.535 | 41% | 0.41 | S | S | . | . | trans | -75.5 | 62.6 | -174.8 | -83.6 | -31.8 | 0 | 0 | 0 | 111.9 | T314 E318 | T314-N320 HydrophobicContact CG2-CB 3.53Å; T314-N320 PolarHBondContact O-N 3.08Å; E318-N320 HydrophobicContact CB-CB 4.2Å; E318-N320 VanDerWaalsContact CB-ND2 3.35Å; E318-N320 WeakPolarHBondContact CB-ND2 3.45Å; E318-N320 PolarHBondContact O-N 3.41Å; E318-N320 PolarHBondContact OE2-ND2 3.03Å | ||
| 321 | L | 81.5 | Confident | 82.5 | Confident | 64 Ų | 64 | 72 Ų | 72 | 34% | 0.335 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 141.6 | 176.9 | -60.9 | 177.5 | 0 | 0 | 0 | 111.8 | I315 G319 F331 N332 | I315-L321 HydrophobicContact CB-CD2 4.47Å; I315-L321 HydrophobicContact CG1-CD2 4.34Å; I315-L321 HydrophobicContact CG2-CD2 4.14Å; G319-L321 PolarHBondContact O-N 3.2Å; L321-F331 CarbonylContact C-O 3.59Å; L321-F331 WeakPolarHBondContact CA-O 3.46Å; L321-N332 HydrophobicContact CD2-CB 4.26Å |
| 322 | L | 78.8 | Confident | 82.4 | Confident | 50 Ų | 50 | 72.8 Ų | 72.8 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117.1 | 176.2 | -59.9 | 167.3 | 0 | 0 | 0 | 109.3 | S330 F331 S333 H334 L337 | L322-S330 CarbonylContact O-C 3.51Å; L322-F331 PolarHBondContact N-O 3.49Å; L322-F331 PolarHBondContact O-N 3.1Å; L322-S333 VanDerWaalsContact CD1-C 3.48Å; L322-H334 HydrophobicContact CD1-CB 4.15Å; L322-H334 VanDerWaalsContact CD1-N 3.25Å; L322-L337 HydrophobicContact CB-CD2 3.85Å |
| 323 | K | 84.6 | Confident | 81.9 | Confident | 142 Ų | 142 | 73.9 Ų | 73.9 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 145 | 179.1 | -63.4 | -177.1 | -178.9 | 177.1 | 0 | 111.2 | R329 | K323-R329 CarbonylContact C-O 3.25Å; K323-R329 WeakPolarHBondContact CA-O 3.35Å |
| 324 | C | 83.2 | Confident | 81.6 | Confident | 6 Ų | 6 | 77 Ų | 77 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 120.2 | 164 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | L326 C327 G328 R329 F331 L337 H345 | C324-L326 PolarHBondContact O-N 2.89Å; C324-C327 PolarHBondContact O-N 2.67Å; C324-G328 VanDerWaalsContact O-CA 3.24Å; C324-G328 WeakPolarHBondContact O-CA 3.44Å; C324-G328 PolarHBondContact O-N 2.96Å; C324-R329 PolarHBondContact N-O 3.36Å; C324-F331 HydrophobicContact CB-CE2 4.21Å; C324-L337 HydrophobicContact CB-CD1 3.57Å; C324-H345 VanDerWaalsContact SG-CD2 3.59Å |
| 325 | E | 87.4 | Confident | 81.2 | Confident | 199 Ų | 199 | 77.9 Ų | 77.9 | 93% | 0.93 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -25.2 | 179.7 | -66.6 | 166.1 | -173.4 | 0 | 0 | 112.7 | ||
| 326 | L | 84.5 | Confident | 81.2 | Confident | 123 Ų | 123 | 77.9 Ų | 77.9 | 64% | 0.644 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.4 | -176 | -59.3 | 175.6 | 0 | 0 | 0 | 114.7 | C324 H345 | C324-L326 PolarHBondContact O-N 2.89Å; L326-H345 HydrophobicContact CD1-CB 3.55Å |
| 327 | C | 86.3 | Confident | 81.1 | Confident | 66 Ų | 66 | 75.3 Ų | 75.3 | 45% | 0.446 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.8 | 7.2 | 178.2 | 67 | 0 | 0 | 0 | 0 | 115.2 | C324 R329 H340 H345 | C324-C327 PolarHBondContact O-N 2.67Å; C327-R329 PolarHBondContact O-N 3.02Å; C327-H340 PolarHBondContact SG-NE2 3.42Å; C327-H345 PolarHBondContact SG-NE2 3.19Å |
| 328 | G | 83.5 | Confident | 80.7 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | trans | 69.8 | -9.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | C324 S330 | C324-G328 VanDerWaalsContact O-CA 3.24Å; C324-G328 WeakPolarHBondContact O-CA 3.44Å; C324-G328 PolarHBondContact O-N 2.96Å; G328-S330 PolarHBondContact O-N 3.41Å | ||
| 329 | R | 79.3 | Confident | 80.3 | Confident | 165 Ų | 165 | 75.4 Ų | 75.4 | 62% | 0.623 | 40% | 0.403 | S | S | * | . | trans | -64 | 132.5 | -172.5 | -167.7 | 168.8 | -173.5 | 156.1 | 5.1 | 112.1 | K323 C324 C327 F331 | K323-R329 CarbonylContact C-O 3.25Å; K323-R329 WeakPolarHBondContact CA-O 3.35Å; C324-R329 PolarHBondContact N-O 3.36Å; C327-R329 PolarHBondContact O-N 3.02Å; R329-F331 HydrophobicContact CB-CE2 3.93Å; R329-F331 HydrophobicContact CB-CZ 4.21Å; R329-F331 HydrophobicContact CG-CE2 3.93Å; R329-F331 HydrophobicContact CG-CZ 3.81Å; R329-F331 VanDerWaalsContact O-CD2 3.29Å; R329-F331 WeakPolarHBondContact O-CD2 3.4Å; R329-F331 WeakPolarHBondContact O-CE2 3.24Å | ||
| 330 | S | 84.1 | Confident | 80.5 | Confident | 55 Ų | 55 | 73.8 Ų | 73.8 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 143.5 | -175.4 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | L322 G328 | L322-S330 CarbonylContact O-C 3.51Å; G328-S330 PolarHBondContact O-N 3.41Å |
| 331 | F | 78.7 | Confident | 80.6 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149.5 | -177.7 | -63.1 | -86.4 | 0 | 0 | 0 | 112 | L321 L322 C324 R329 A336 L337 H340 | L321-F331 CarbonylContact C-O 3.59Å; L321-F331 WeakPolarHBondContact CA-O 3.46Å; L322-F331 PolarHBondContact N-O 3.49Å; L322-F331 PolarHBondContact O-N 3.1Å; C324-F331 HydrophobicContact CB-CE2 4.21Å; R329-F331 HydrophobicContact CB-CE2 3.93Å; R329-F331 HydrophobicContact CB-CZ 4.21Å; R329-F331 HydrophobicContact CG-CE2 3.93Å; R329-F331 HydrophobicContact CG-CZ 3.81Å; R329-F331 VanDerWaalsContact O-CD2 3.29Å; R329-F331 WeakPolarHBondContact O-CD2 3.4Å; R329-F331 WeakPolarHBondContact O-CE2 3.24Å; F331-A336 HydrophobicContact CB-CB 4.32Å; F331-A336 HydrophobicContact CD1-CB 3.97Å; F331-L337 HydrophobicContact CB-CB 4.01Å; F331-L337 HydrophobicContact CD2-CB 3.99Å; F331-L337 HydrophobicContact CD2-CD1 3.67Å; F331-L337 HydrophobicContact CD2-CG 4.39Å; F331-L337 HydrophobicContact CE2-CD1 3.96Å; F331-L337 HydrophobicContact CG-CB 4.05Å; F331-H340 HydrophobicContact CE1-CB 3.66Å; F331-H340 AromaticContact CE1-CG 3.91Å; F331-H340 HydrophobicContact CE2-CB 4.13Å; F331-H340 AromaticContact CE2-CD2 3.31Å; F331-H340 WeakPolarHBondContact CE2-CD2 3.47Å; F331-H340 AromaticContact CE2-CG 3.73Å; F331-H340 AromaticContact CE2-NE2 3.86Å; F331-H340 HydrophobicContact CZ-CB 3.43Å; F331-H340 VanDerWaalsContact CZ-CB 3.43Å; F331-H340 AromaticContact CZ-CD2 3.27Å; F331-H340 WeakPolarHBondContact CZ-CD2 3.37Å; F331-H340 AromaticContact CZ-CG 3.16Å; F331-H340 AromaticContact CZ-ND1 3.69Å; F331-H340 AromaticContact CZ-NE2 3.83Å |
| 332 | N | 77 | Confident | 80.4 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 32% | 0.316 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -84 | -11.9 | 179.6 | 61.7 | -3.5 | 0 | 0 | 0 | 115 | I315 L321 | I315-N332 HydrophobicContact CD1-CB 3.49Å; I315-N332 VanDerWaalsContact CD1-CB 3.49Å; I315-N332 HydrophobicContact CG1-CB 3.67Å; L321-N332 HydrophobicContact CD2-CB 4.26Å |
| 333 | S | 74.9 | Confident | 80.2 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -149.2 | 149 | -177.7 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | L322 C335 A336 L337 | L322-S333 VanDerWaalsContact CD1-C 3.48Å; S333-C335 PolarHBondContact O-N 3.31Å; S333-A336 PolarHBondContact O-N 2.86Å; S333-A336 VanDerWaalsContact O-N 3.14Å; S333-A336 VanDerWaalsContact OG-CB 3.3Å; S333-A336 WeakPolarHBondContact OG-CB 3.35Å; S333-A336 PolarHBondContact OG-N 2.98Å; S333-L337 PolarHBondContact O-N 3.24Å |
| 334 | H | 78.8 | Confident | 79.8 | Confident | 99 Ų | 99 | 66.4 Ų | 66.4 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -30.1 | 175.5 | -82.5 | -72.5 | 0 | 0 | 0 | 112.1 | L322 R338 | L322-H334 HydrophobicContact CD1-CB 4.15Å; L322-H334 VanDerWaalsContact CD1-N 3.25Å; H334-R338 WeakPolarHBondContact O-CB 3.5Å; H334-R338 PolarHBondContact O-N 3.08Å |
| 335 | C | 75.9 | Confident | 79.7 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 174.4 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | C163 S333 R338 Y339 | C163-C335 VanDerWaalsContact SG-SG 3.62Å; S333-C335 PolarHBondContact O-N 3.31Å; C335-R338 PolarHBondContact O-N 2.88Å; C335-Y339 WeakPolarHBondContact O-CB 3.32Å; C335-Y339 PolarHBondContact O-N 2.97Å |
| 336 | A | 77 | Confident | 79.2 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F331 S333 Y339 H340 | F331-A336 HydrophobicContact CB-CB 4.32Å; F331-A336 HydrophobicContact CD1-CB 3.97Å; S333-A336 PolarHBondContact O-N 2.86Å; S333-A336 VanDerWaalsContact O-N 3.14Å; S333-A336 VanDerWaalsContact OG-CB 3.3Å; S333-A336 WeakPolarHBondContact OG-CB 3.35Å; S333-A336 PolarHBondContact OG-N 2.98Å; A336-Y339 PolarHBondContact O-N 2.99Å; A336-H340 WeakPolarHBondContact O-CB 3.28Å; A336-H340 PolarHBondContact O-N 3.02Å |
| 337 | L | 79.4 | Confident | 78.4 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.4 | 172.7 | 57.3 | 0 | 0 | 0 | 112.1 | L322 C324 F331 S333 Y339 H340 S341 | L322-L337 HydrophobicContact CB-CD2 3.85Å; C324-L337 HydrophobicContact CB-CD1 3.57Å; F331-L337 HydrophobicContact CB-CB 4.01Å; F331-L337 HydrophobicContact CD2-CB 3.99Å; F331-L337 HydrophobicContact CD2-CD1 3.67Å; F331-L337 HydrophobicContact CD2-CG 4.39Å; F331-L337 HydrophobicContact CE2-CD1 3.96Å; F331-L337 HydrophobicContact CG-CB 4.05Å; S333-L337 PolarHBondContact O-N 3.24Å; L337-Y339 PolarHBondContact O-N 3.28Å; L337-H340 PolarHBondContact O-N 2.96Å; L337-S341 WeakPolarHBondContact O-CB 3.35Å; L337-S341 PolarHBondContact O-N 2.79Å |
| 338 | R | 78.4 | Confident | 77.4 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 178.2 | 178.8 | 177.2 | -66.6 | 162.6 | -1 | 111.9 | C163 S165 H334 C335 S341 N342 | C163-R338 PolarHBondContact SG-NH1 2.94Å; S165-R338 PolarHBondContact OG-NH1 3.45Å; S165-R338 PolarHBondContact OG-NH2 3.07Å; H334-R338 WeakPolarHBondContact O-CB 3.5Å; H334-R338 PolarHBondContact O-N 3.08Å; C335-R338 PolarHBondContact O-N 2.88Å; R338-S341 PolarHBondContact O-N 3.35Å; R338-N342 WeakPolarHBondContact O-CB 3.37Å; R338-N342 VanDerWaalsContact O-CG 3.28Å; R338-N342 PolarHBondContact O-N 3.43Å |
| 339 | Y | 77.4 | Confident | 77.2 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.3 | -54.2 | 175.6 | 179.1 | -100.5 | 0 | 0 | 0 | 110.3 | F158 C335 A336 L337 S341 N342 I343 L361 | F158-Y339 HydrophobicContact CE1-CD2 4.36Å; F158-Y339 AromaticContact CE1-CE2 3.58Å; F158-Y339 HydrophobicContact CE1-CE2 3.58Å; F158-Y339 AromaticContact CZ-CE2 3.58Å; F158-Y339 HydrophobicContact CZ-CE2 3.58Å; F158-Y339 AromaticContact CZ-CZ 3.89Å; C335-Y339 WeakPolarHBondContact O-CB 3.32Å; C335-Y339 PolarHBondContact O-N 2.97Å; A336-Y339 PolarHBondContact O-N 2.99Å; L337-Y339 PolarHBondContact O-N 3.28Å; Y339-S341 PolarHBondContact O-N 3.38Å; Y339-N342 PolarHBondContact O-N 2.87Å; Y339-I343 HydrophobicContact CD1-CD1 3.7Å; Y339-I343 HydrophobicContact CD2-CD1 3.48Å; Y339-I343 VanDerWaalsContact CD2-CD1 3.48Å; Y339-I343 HydrophobicContact CE1-CD1 3.46Å; Y339-I343 VanDerWaalsContact CE1-CD1 3.46Å; Y339-I343 HydrophobicContact CE2-CD1 3.22Å; Y339-I343 HydrophobicContact CG-CD1 3.71Å; Y339-I343 VanDerWaalsContact O-CD1 3.29Å; Y339-I343 WeakPolarHBondContact O-CD1 3.38Å; Y339-I343 WeakPolarHBondContact O-CG1 3.43Å; Y339-I343 PolarHBondContact O-N 2.86Å; Y339-L361 HydrophobicContact CE2-CD2 4.38Å; Y339-L361 WeakPolarHBondContact OH-CD1 3.47Å; Y339-L361 WeakPolarHBondContact OH-CD2 3.33Å |
| 340 | H | 81.9 | Confident | 77.2 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -52.8 | -49.8 | 174.3 | 160.5 | 71.6 | 0 | 0 | 0 | 112.7 | C327 F331 A336 L337 N342 I343 V344 H345 | C327-H340 PolarHBondContact SG-NE2 3.42Å; F331-H340 HydrophobicContact CE1-CB 3.66Å; F331-H340 AromaticContact CE1-CG 3.91Å; F331-H340 HydrophobicContact CE2-CB 4.13Å; F331-H340 AromaticContact CE2-CD2 3.31Å; F331-H340 WeakPolarHBondContact CE2-CD2 3.47Å; F331-H340 AromaticContact CE2-CG 3.73Å; F331-H340 AromaticContact CE2-NE2 3.86Å; F331-H340 HydrophobicContact CZ-CB 3.43Å; F331-H340 VanDerWaalsContact CZ-CB 3.43Å; F331-H340 AromaticContact CZ-CD2 3.27Å; F331-H340 WeakPolarHBondContact CZ-CD2 3.37Å; F331-H340 AromaticContact CZ-CG 3.16Å; F331-H340 AromaticContact CZ-ND1 3.69Å; F331-H340 AromaticContact CZ-NE2 3.83Å; A336-H340 WeakPolarHBondContact O-CB 3.28Å; A336-H340 PolarHBondContact O-N 3.02Å; L337-H340 PolarHBondContact O-N 2.96Å; H340-N342 VanDerWaalsContact C-N 3.34Å; H340-N342 PolarHBondContact O-N 3.21Å; H340-I343 PolarHBondContact O-N 3.2Å; H340-I343 VanDerWaalsContact O-N 3.09Å; H340-V344 WeakPolarHBondContact ND1-CG2 3.37Å; H340-V344 WeakPolarHBondContact O-CB 3.45Å; H340-V344 PolarHBondContact O-N 2.74Å; H340-H345 AromaticContact CE1-NE2 3.85Å; H340-H345 AromaticContact NE2-CD2 3.8Å; H340-H345 AromaticContact NE2-NE2 3.49Å; H340-H345 PolarHBondContact NE2-NE2 2.94Å |
| 341 | S | 79.7 | Confident | 77.4 | Confident | 30 Ų | 30 | 70 Ų | 70 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -57.4 | -44.8 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | L337 R338 Y339 I343 H345 K346 | L337-S341 WeakPolarHBondContact O-CB 3.35Å; L337-S341 PolarHBondContact O-N 2.79Å; R338-S341 PolarHBondContact O-N 3.35Å; Y339-S341 PolarHBondContact O-N 3.38Å; S341-I343 PolarHBondContact O-N 3.43Å; S341-H345 CarbonylContact O-C 3.58Å; S341-H345 WeakPolarHBondContact O-CA 3.28Å; S341-H345 WeakPolarHBondContact O-CB 3.24Å; S341-H345 PolarHBondContact O-N 3.29Å; S341-K346 PolarHBondContact O-N 3.13Å; S341-K346 VanDerWaalsContact O-N 3.1Å |
| 342 | N | 77 | Confident | 78 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -66.6 | -16.5 | 178.5 | -74 | -13.3 | 0 | 0 | 0 | 114.6 | R338 Y339 H340 K346 | R338-N342 WeakPolarHBondContact O-CB 3.37Å; R338-N342 VanDerWaalsContact O-CG 3.28Å; R338-N342 PolarHBondContact O-N 3.43Å; Y339-N342 PolarHBondContact O-N 2.87Å; H340-N342 VanDerWaalsContact C-N 3.34Å; H340-N342 PolarHBondContact O-N 3.21Å; N342-K346 WeakPolarHBondContact OD1-CD 3.31Å; N342-K346 WeakPolarHBondContact OD1-CE 3.4Å; N342-K346 PolarHBondContact OD1-NZ 3.41Å |
| 343 | I | 74.4 | Confident | 78.6 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 19% | 0.19 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -114.4 | -27.8 | -171.5 | -71 | 156.3 | 0 | 0 | 0 | 112.9 | Y339 H340 S341 R360 L361 | Y339-I343 HydrophobicContact CD1-CD1 3.7Å; Y339-I343 HydrophobicContact CD2-CD1 3.48Å; Y339-I343 VanDerWaalsContact CD2-CD1 3.48Å; Y339-I343 HydrophobicContact CE1-CD1 3.46Å; Y339-I343 VanDerWaalsContact CE1-CD1 3.46Å; Y339-I343 HydrophobicContact CE2-CD1 3.22Å; Y339-I343 HydrophobicContact CG-CD1 3.71Å; Y339-I343 VanDerWaalsContact O-CD1 3.29Å; Y339-I343 WeakPolarHBondContact O-CD1 3.38Å; Y339-I343 WeakPolarHBondContact O-CG1 3.43Å; Y339-I343 PolarHBondContact O-N 2.86Å; H340-I343 PolarHBondContact O-N 3.2Å; H340-I343 VanDerWaalsContact O-N 3.09Å; S341-I343 PolarHBondContact O-N 3.43Å; I343-R360 HydrophobicContact CG2-CB 4.12Å; I343-L361 HydrophobicContact CD1-CD2 3.3Å; I343-L361 HydrophobicContact CG1-CD2 3.74Å; I343-L361 HydrophobicContact CG2-CD2 3.98Å |
| 344 | V | 78.1 | Confident | 79.3 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -101.4 | -34.6 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | H340 | H340-V344 WeakPolarHBondContact ND1-CG2 3.37Å; H340-V344 WeakPolarHBondContact O-CB 3.45Å; H340-V344 PolarHBondContact O-N 2.74Å |
| 345 | H | 81.2 | Confident | 79.9 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 29% | 0.292 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -113.9 | -16.7 | -171.6 | -62.2 | -61.4 | 0 | 0 | 0 | 114.7 | C324 L326 C327 H340 S341 | C324-H345 VanDerWaalsContact SG-CD2 3.59Å; L326-H345 HydrophobicContact CD1-CB 3.55Å; C327-H345 PolarHBondContact SG-NE2 3.19Å; H340-H345 AromaticContact CE1-NE2 3.85Å; H340-H345 AromaticContact NE2-CD2 3.8Å; H340-H345 AromaticContact NE2-NE2 3.49Å; H340-H345 PolarHBondContact NE2-NE2 2.94Å; S341-H345 CarbonylContact O-C 3.58Å; S341-H345 WeakPolarHBondContact O-CA 3.28Å; S341-H345 WeakPolarHBondContact O-CB 3.24Å; S341-H345 PolarHBondContact O-N 3.29Å |
| 346 | K | 75.3 | Confident | 80.5 | Confident | 120 Ų | 120 | 73.6 Ų | 73.6 | 52% | 0.522 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -101.5 | 134.3 | 167.1 | -60.4 | -174.8 | -174.5 | 166.6 | 0 | 108.9 | S341 N342 H348 | S341-K346 PolarHBondContact O-N 3.13Å; S341-K346 VanDerWaalsContact O-N 3.1Å; N342-K346 WeakPolarHBondContact OD1-CD 3.31Å; N342-K346 WeakPolarHBondContact OD1-CE 3.4Å; N342-K346 PolarHBondContact OD1-NZ 3.41Å; K346-H348 PolarHBondContact O-N 3.39Å |
| 347 | D | 68.8 | Low | 81 | Confident | 127 Ų | 127 | 78.5 Ų | 78.5 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | trans | -80.1 | 41.6 | -175.4 | -157.2 | 20.9 | 0 | 0 | 0 | 113.4 | K349 | D347-K349 VanDerWaalsContact C-N 3.31Å; D347-K349 PolarHBondContact O-N 3.23Å; D347-K349 WeakPolarHBondContact OD1-CE 3.45Å; D347-K349 IonicContact OD1-NZ 2.66Å; D347-K349 PolarHBondContact OD1-NZ 3.45Å; D347-K349 IonicContact OD2-NZ 2.79Å; D347-K349 PolarHBondContact OD2-NZ 3.26Å | ||
| 348 | H | 64.9 | Low | 81.3 | Confident | 132 Ų | 132 | 80.5 Ų | 80.5 | 61% | 0.611 | 40% | 0.404 | S | S | * | . | trans | -84.5 | 74.4 | -174.8 | -153 | -66.1 | 0 | 0 | 0 | 111 | K346 | K346-H348 PolarHBondContact O-N 3.39Š| ||
| 349 | K | 78.4 | Confident | 81.5 | Confident | 100 Ų | 100 | 78.3 Ų | 78.3 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | trans | -81.6 | 134.5 | 179.2 | -58.7 | 178.7 | 179 | 110.3 | 0 | 111.2 | D347 | D347-K349 VanDerWaalsContact C-N 3.31Å; D347-K349 PolarHBondContact O-N 3.23Å; D347-K349 WeakPolarHBondContact OD1-CE 3.45Å; D347-K349 IonicContact OD1-NZ 2.66Å; D347-K349 PolarHBondContact OD1-NZ 3.45Å; D347-K349 IonicContact OD2-NZ 2.79Å; D347-K349 PolarHBondContact OD2-NZ 3.26Å | ||
| 350 | F | 80.8 | Confident | 81.4 | Confident | 68 Ų | 68 | 82 Ų | 82 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 106.5 | 172.4 | -61.8 | -89.2 | 0 | 0 | 0 | 109.3 | T358 F359 K362 L365 | F350-T358 WeakPolarHBondContact O-CA 3.36Å; F350-F359 PolarHBondContact N-O 3.35Å; F350-F359 PolarHBondContact O-N 3.49Å; F350-K362 HydrophobicContact CD1-CB 4.21Å; F350-K362 HydrophobicContact CD1-CG 4.39Å; F350-K362 HydrophobicContact CE1-CB 4.05Å; F350-K362 HydrophobicContact CE1-CG 4.41Å; F350-K362 HydrophobicContact CE2-CB 4.44Å; F350-K362 HydrophobicContact CG-CB 4.48Å; F350-K362 HydrophobicContact CZ-CB 4.17Å; F350-L365 HydrophobicContact CB-CB 4.28Å; F350-L365 HydrophobicContact CB-CD2 3.83Å |
| 351 | Q | 88 | Confident | 81.2 | Confident | 128 Ų | 128 | 82.2 Ų | 82.2 | 60% | 0.598 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 144.7 | 176.9 | -174.3 | 169.7 | -17.7 | 0 | 0 | 111.6 | T358 L365 | Q351-T358 HydrophobicContact CB-CG2 4.03Å; Q351-T358 HydrophobicContact CG-CG2 4.1Å; Q351-L365 WeakPolarHBondContact O-CD2 3.42Å |
| 352 | C | 90.5 | Very high | 81.3 | Confident | 3 Ų | 3 | 85.5 Ų | 85.5 | 2% | 0.02 | 42% | 0.423 | C | S | . | . | trans | -74.1 | 132.7 | 170.6 | -173.2 | 0 | 0 | 0 | 0 | 111 | H354 C355 K357 F359 L365 H373 | C352-H354 PolarHBondContact O-N 3.17Å; C352-H354 PolarHBondContact SG-N 2.94Å; C352-C355 WeakPolarHBondContact CB-O 3.35Å; C352-K357 PolarHBondContact N-O 3.3Å; C352-F359 HydrophobicContact CB-CE2 4.44Å; C352-L365 HydrophobicContact CB-CD1 3.74Å; C352-H373 VanDerWaalsContact SG-CD2 3.54Å | ||
| 353 | P | 89.6 | Confident | 81.5 | Confident | 102 Ų | 102 | 89.1 Ų | 89.1 | 66% | 0.662 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.1 | 175.6 | 28.5 | -35.1 | 0 | 0 | 0 | 113.5 | ||
| 354 | H | 88.9 | Confident | 81.9 | Confident | 103 Ų | 103 | 93.3 Ų | 93.3 | 48% | 0.477 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -4.3 | -175.8 | -52.4 | -57.2 | 0 | 0 | 0 | 114.1 | C352 H373 L376 | C352-H354 PolarHBondContact O-N 3.17Å; C352-H354 PolarHBondContact SG-N 2.94Å; H354-H373 AromaticContact CD2-CG 3.99Å; H354-L376 HydrophobicContact CB-CD1 4.17Å |
| 355 | C | 91.7 | Very high | 82.3 | Confident | 31 Ų | 31 | 91 Ų | 91 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -159.9 | 165.5 | 173.9 | 72.7 | 0 | 0 | 0 | 0 | 112.2 | C352 K357 H368 H373 | C352-C355 WeakPolarHBondContact CB-O 3.35Å; C355-K357 PolarHBondContact O-N 3.22Å; C355-H368 PolarHBondContact SG-NE2 3.16Å; C355-H368 VanDerWaalsContact SG-NE2 3.35Å; C355-H373 PolarHBondContact SG-NE2 3.38Å |
| 356 | P | 90.1 | Very high | 82.6 | Confident | 118 Ų | 118 | 91.6 Ų | 91.6 | 77% | 0.766 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -66.5 | -1.3 | -179.6 | -22.2 | 34.6 | 0 | 0 | 0 | 116 | ||
| 357 | K | 87.1 | Confident | 83.2 | Confident | 134 Ų | 134 | 87 Ų | 87 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | trans | -71.9 | 135.5 | -174.9 | -66.2 | -167.9 | 176.1 | -170.8 | 0 | 111.5 | C352 C355 F359 | C352-K357 PolarHBondContact N-O 3.3Å; C355-K357 PolarHBondContact O-N 3.22Å; K357-F359 HydrophobicContact CB-CE2 3.86Å; K357-F359 HydrophobicContact CB-CZ 3.93Å | ||
| 358 | T | 85.9 | Confident | 84.2 | Confident | 70 Ų | 70 | 81.5 Ų | 81.5 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.6 | 179.2 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | F350 Q351 | F350-T358 WeakPolarHBondContact O-CA 3.36Å; Q351-T358 HydrophobicContact CB-CG2 4.03Å; Q351-T358 HydrophobicContact CG-CG2 4.1Å |
| 359 | F | 81.9 | Confident | 85.4 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 18% | 0.184 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.5 | -172.8 | -60.6 | -88.1 | 0 | 0 | 0 | 110.9 | F350 C352 K357 L361 L365 H368 | F350-F359 PolarHBondContact N-O 3.35Å; F350-F359 PolarHBondContact O-N 3.49Å; C352-F359 HydrophobicContact CB-CE2 4.44Å; K357-F359 HydrophobicContact CB-CE2 3.86Å; K357-F359 HydrophobicContact CB-CZ 3.93Å; F359-L361 PolarHBondContact O-N 3.15Å; F359-L365 HydrophobicContact CB-CB 4.19Å; F359-L365 HydrophobicContact CD2-CB 3.85Å; F359-L365 HydrophobicContact CD2-CD1 3.86Å; F359-L365 HydrophobicContact CD2-CG 4.44Å; F359-L365 HydrophobicContact CE2-CD1 4.03Å; F359-L365 HydrophobicContact CG-CB 4.14Å; F359-H368 HydrophobicContact CE1-CB 3.85Å; F359-H368 HydrophobicContact CE2-CB 4.03Å; F359-H368 AromaticContact CE2-CD2 3.31Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.36Å; F359-H368 AromaticContact CE2-CG 3.74Å; F359-H368 AromaticContact CE2-NE2 3.98Å; F359-H368 HydrophobicContact CZ-CB 3.48Å; F359-H368 VanDerWaalsContact CZ-CB 3.48Å; F359-H368 AromaticContact CZ-CD2 3.32Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.49Å; F359-H368 AromaticContact CZ-CG 3.25Å; F359-H368 AromaticContact CZ-ND1 3.84Å; F359-H368 AromaticContact CZ-NE2 3.92Å |
| 360 | R | 75.8 | Confident | 86 | Confident | 162 Ų | 162 | 80.4 Ų | 80.4 | 61% | 0.611 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73.2 | -13.6 | 176.5 | -57.7 | -171.1 | -171.6 | -179.5 | 3.1 | 114 | I343 | I343-R360 HydrophobicContact CG2-CB 4.12Š|
| 361 | L | 76.5 | Confident | 86.5 | Confident | 23 Ų | 23 | 85.8 Ų | 85.8 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -134.5 | 139.8 | 177.9 | -65.1 | -175.7 | 0 | 0 | 0 | 112.1 | Y339 I343 F359 K363 Y364 L365 | Y339-L361 HydrophobicContact CE2-CD2 4.38Å; Y339-L361 WeakPolarHBondContact OH-CD1 3.47Å; Y339-L361 WeakPolarHBondContact OH-CD2 3.33Å; I343-L361 HydrophobicContact CD1-CD2 3.3Å; I343-L361 HydrophobicContact CG1-CD2 3.74Å; I343-L361 HydrophobicContact CG2-CD2 3.98Å; F359-L361 PolarHBondContact O-N 3.15Å; L361-K363 VanDerWaalsContact C-N 3.28Å; L361-K363 PolarHBondContact O-N 2.92Å; L361-Y364 HydrophobicContact CB-CD2 3.66Å; L361-Y364 HydrophobicContact CB-CE2 4.19Å; L361-Y364 HydrophobicContact CB-CG 4.25Å; L361-Y364 HydrophobicContact CD1-CD2 3.9Å; L361-Y364 HydrophobicContact CD1-CE2 3.51Å; L361-Y364 HydrophobicContact CG-CD2 3.96Å; L361-Y364 HydrophobicContact CG-CE2 3.99Å; L361-Y364 PolarHBondContact O-N 3.37Å; L361-L365 PolarHBondContact O-N 3.37Å; L361-L365 VanDerWaalsContact O-N 3.16Å |
| 362 | K | 81.5 | Confident | 86.6 | Confident | 100 Ų | 100 | 84.1 Ų | 84.1 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -53.9 | -41.7 | 171.3 | -161.1 | -168.6 | -177.3 | -132.7 | 0 | 112.6 | F350 Y364 L365 E366 | F350-K362 HydrophobicContact CD1-CB 4.21Å; F350-K362 HydrophobicContact CD1-CG 4.39Å; F350-K362 HydrophobicContact CE1-CB 4.05Å; F350-K362 HydrophobicContact CE1-CG 4.41Å; F350-K362 HydrophobicContact CE2-CB 4.44Å; F350-K362 HydrophobicContact CG-CB 4.48Å; F350-K362 HydrophobicContact CZ-CB 4.17Å; K362-Y364 VanDerWaalsContact C-N 3.26Å; K362-Y364 PolarHBondContact O-N 2.81Å; K362-L365 WeakPolarHBondContact O-CB 3.3Å; K362-L365 PolarHBondContact O-N 3.16Å; K362-L365 VanDerWaalsContact O-N 3.11Å; K362-E366 WeakPolarHBondContact CD-OE1 3.46Å; K362-E366 WeakPolarHBondContact CE-OE1 3.42Å; K362-E366 HydrophobicContact CG-CG 4.35Å; K362-E366 IonicContact NZ-OE1 2.72Å; K362-E366 PolarHBondContact NZ-OE1 3.1Å; K362-E366 WeakPolarHBondContact O-CG 3.31Å; K362-E366 PolarHBondContact O-N 3.28Å |
| 363 | K | 81.4 | Confident | 86.6 | Confident | 137 Ų | 137 | 85 Ų | 85 | 60% | 0.596 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.6 | -36.4 | 177 | 119.8 | 175 | -176.1 | 174.3 | 0 | 112.9 | L361 G367 | L361-K363 VanDerWaalsContact C-N 3.28Å; L361-K363 PolarHBondContact O-N 2.92Å; K363-G367 PolarHBondContact O-N 3.2Å |
| 364 | Y | 83.8 | Confident | 85.8 | Confident | 125 Ų | 125 | 82.9 Ų | 82.9 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -77 | -35.2 | 178.8 | -64.5 | -41.5 | 0 | 0 | 0 | 111.5 | L361 K362 H368 | L361-Y364 HydrophobicContact CB-CD2 3.66Å; L361-Y364 HydrophobicContact CB-CE2 4.19Å; L361-Y364 HydrophobicContact CB-CG 4.25Å; L361-Y364 HydrophobicContact CD1-CD2 3.9Å; L361-Y364 HydrophobicContact CD1-CE2 3.51Å; L361-Y364 HydrophobicContact CG-CD2 3.96Å; L361-Y364 HydrophobicContact CG-CE2 3.99Å; L361-Y364 PolarHBondContact O-N 3.37Å; K362-Y364 VanDerWaalsContact C-N 3.26Å; K362-Y364 PolarHBondContact O-N 2.81Å; Y364-H368 WeakPolarHBondContact O-CB 3.24Å; Y364-H368 PolarHBondContact O-N 2.88Å |
| 365 | L | 87.1 | Confident | 84.7 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 12% | 0.12 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 169 | 170.6 | 59.9 | 0 | 0 | 0 | 111.4 | F350 Q351 C352 F359 L361 K362 G367 H368 V369 | F350-L365 HydrophobicContact CB-CB 4.28Å; F350-L365 HydrophobicContact CB-CD2 3.83Å; Q351-L365 WeakPolarHBondContact O-CD2 3.42Å; C352-L365 HydrophobicContact CB-CD1 3.74Å; F359-L365 HydrophobicContact CB-CB 4.19Å; F359-L365 HydrophobicContact CD2-CB 3.85Å; F359-L365 HydrophobicContact CD2-CD1 3.86Å; F359-L365 HydrophobicContact CD2-CG 4.44Å; F359-L365 HydrophobicContact CE2-CD1 4.03Å; F359-L365 HydrophobicContact CG-CB 4.14Å; L361-L365 PolarHBondContact O-N 3.37Å; L361-L365 VanDerWaalsContact O-N 3.16Å; K362-L365 WeakPolarHBondContact O-CB 3.3Å; K362-L365 PolarHBondContact O-N 3.16Å; K362-L365 VanDerWaalsContact O-N 3.11Å; L365-G367 VanDerWaalsContact C-N 3.34Å; L365-G367 PolarHBondContact O-N 3.49Å; L365-H368 CarbonylContact O-C 3.5Å; L365-H368 WeakPolarHBondContact O-CA 3.4Å; L365-H368 WeakPolarHBondContact O-CB 3.44Å; L365-H368 PolarHBondContact O-N 2.89Å; L365-V369 HydrophobicContact CD1-CG2 3.77Å; L365-V369 HydrophobicContact CG-CG2 4.42Å; L365-V369 WeakPolarHBondContact O-CG2 3.45Å; L365-V369 PolarHBondContact O-N 3.35Å |
| 366 | E | 85.8 | Confident | 83 | Confident | 75 Ų | 75 | 88.7 Ų | 88.7 | 35% | 0.35 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 178 | -72.1 | 167 | 173.2 | 0 | 0 | 111.2 | K362 H368 V369 K370 | K362-E366 WeakPolarHBondContact CD-OE1 3.46Å; K362-E366 WeakPolarHBondContact CE-OE1 3.42Å; K362-E366 HydrophobicContact CG-CG 4.35Å; K362-E366 IonicContact NZ-OE1 2.72Å; K362-E366 PolarHBondContact NZ-OE1 3.1Å; K362-E366 WeakPolarHBondContact O-CG 3.31Å; K362-E366 PolarHBondContact O-N 3.28Å; E366-H368 VanDerWaalsContact C-N 3.28Å; E366-H368 PolarHBondContact O-N 3.29Å; E366-V369 PolarHBondContact O-N 2.71Å; E366-K370 WeakPolarHBondContact O-CB 3.45Å; E366-K370 WeakPolarHBondContact O-CG 3.39Å; E366-K370 PolarHBondContact O-N 3Å |
| 367 | G | 88.9 | Confident | 81 | Confident | 23 Ų | 23 | 86.4 Ų | 86.4 | 24% | 0.237 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.8 | -20.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K363 L365 R371 | K363-G367 PolarHBondContact O-N 3.2Å; L365-G367 VanDerWaalsContact C-N 3.34Å; L365-G367 PolarHBondContact O-N 3.49Å; G367-R371 WeakPolarHBondContact O-CB 3.47Å; G367-R371 WeakPolarHBondContact O-CG 3.45Å; G367-R371 PolarHBondContact O-NE 3.48Å |
| 368 | H | 89.2 | Confident | 78.9 | Confident | 13 Ų | 13 | 89.9 Ų | 89.9 | 6% | 0.06 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -79.5 | -49.4 | 171.3 | 160.9 | 66.1 | 0 | 0 | 0 | 110.9 | C355 F359 Y364 L365 E366 K370 R371 V372 H373 | C355-H368 PolarHBondContact SG-NE2 3.16Å; C355-H368 VanDerWaalsContact SG-NE2 3.35Å; F359-H368 HydrophobicContact CE1-CB 3.85Å; F359-H368 HydrophobicContact CE2-CB 4.03Å; F359-H368 AromaticContact CE2-CD2 3.31Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.36Å; F359-H368 AromaticContact CE2-CG 3.74Å; F359-H368 AromaticContact CE2-NE2 3.98Å; F359-H368 HydrophobicContact CZ-CB 3.48Å; F359-H368 VanDerWaalsContact CZ-CB 3.48Å; F359-H368 AromaticContact CZ-CD2 3.32Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.49Å; F359-H368 AromaticContact CZ-CG 3.25Å; F359-H368 AromaticContact CZ-ND1 3.84Å; F359-H368 AromaticContact CZ-NE2 3.92Å; Y364-H368 WeakPolarHBondContact O-CB 3.24Å; Y364-H368 PolarHBondContact O-N 2.88Å; L365-H368 CarbonylContact O-C 3.5Å; L365-H368 WeakPolarHBondContact O-CA 3.4Å; L365-H368 WeakPolarHBondContact O-CB 3.44Å; L365-H368 PolarHBondContact O-N 2.89Å; E366-H368 VanDerWaalsContact C-N 3.28Å; E366-H368 PolarHBondContact O-N 3.29Å; H368-K370 VanDerWaalsContact C-N 3.33Å; H368-K370 PolarHBondContact O-N 2.84Å; H368-R371 PolarHBondContact O-N 2.91Å; H368-V372 WeakPolarHBondContact ND1-CG2 3.4Å; H368-V372 WeakPolarHBondContact O-CB 3.18Å; H368-V372 PolarHBondContact O-N 2.89Å; H368-H373 AromaticContact CE1-NE2 3.74Å; H368-H373 AromaticContact NE2-CD2 3.64Å; H368-H373 AromaticContact NE2-NE2 3.38Å; H368-H373 PolarHBondContact NE2-NE2 3.02Å |
| 369 | V | 91.8 | Very high | 76.3 | Confident | 39 Ų | 39 | 88.9 Ų | 88.9 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | L365 E366 R371 H373 A374 | L365-V369 HydrophobicContact CD1-CG2 3.77Å; L365-V369 HydrophobicContact CG-CG2 4.42Å; L365-V369 WeakPolarHBondContact O-CG2 3.45Å; L365-V369 PolarHBondContact O-N 3.35Å; E366-V369 PolarHBondContact O-N 2.71Å; V369-R371 PolarHBondContact O-N 2.78Å; V369-H373 HydrophobicContact CG1-CB 4.25Å; V369-H373 CarbonylContact O-C 3.59Å; V369-H373 VanDerWaalsContact O-C 3.25Å; V369-H373 VanDerWaalsContact O-CA 3.29Å; V369-H373 WeakPolarHBondContact O-CA 3.38Å; V369-H373 WeakPolarHBondContact O-CB 3.01Å; V369-H373 PolarHBondContact O-N 2.92Å; V369-A374 PolarHBondContact O-N 3.19Å; V369-A374 VanDerWaalsContact O-N 3.13Å |
| 370 | K | 90.9 | Very high | 73.8 | Confident | 169 Ų | 169 | 94.7 Ų | 94.7 | 74% | 0.735 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.3 | -16.7 | 176.3 | -74.7 | -173.3 | 176.3 | -171.5 | 0 | 115.6 | E366 H368 A374 | E366-K370 WeakPolarHBondContact O-CB 3.45Å; E366-K370 WeakPolarHBondContact O-CG 3.39Å; E366-K370 PolarHBondContact O-N 3Å; H368-K370 VanDerWaalsContact C-N 3.33Å; H368-K370 PolarHBondContact O-N 2.84Å; K370-A374 WeakPolarHBondContact O-CB 3.37Å |
| 371 | R | 90.9 | Very high | 71.8 | Confident | 181 Ų | 181 | 94 Ų | 94 | 68% | 0.683 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -107.8 | -34.2 | -179.4 | -75.6 | -175.4 | -69.2 | 160.4 | -1 | 113.9 | G367 H368 V369 | G367-R371 WeakPolarHBondContact O-CB 3.47Å; G367-R371 WeakPolarHBondContact O-CG 3.45Å; G367-R371 PolarHBondContact O-NE 3.48Å; H368-R371 PolarHBondContact O-N 2.91Å; V369-R371 PolarHBondContact O-N 2.78Å |
| 372 | V | 89.9 | Confident | 69.8 | Low | 94 Ų | 94 | 101.3 Ų | 101.3 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -104.4 | -31.4 | -174.5 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | H368 | H368-V372 WeakPolarHBondContact ND1-CG2 3.4Å; H368-V372 WeakPolarHBondContact O-CB 3.18Å; H368-V372 PolarHBondContact O-N 2.89Å |
| 373 | H | 89.6 | Confident | 67.4 | Low | 20 Ų | 20 | 103 Ų | 103 | 9% | 0.093 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -113.6 | 12.4 | -176.9 | -59.2 | -63 | 0 | 0 | 0 | 112.9 | C352 H354 C355 H368 V369 N375 L376 | C352-H373 VanDerWaalsContact SG-CD2 3.54Å; H354-H373 AromaticContact CD2-CG 3.99Å; C355-H373 PolarHBondContact SG-NE2 3.38Å; H368-H373 AromaticContact CE1-NE2 3.74Å; H368-H373 AromaticContact NE2-CD2 3.64Å; H368-H373 AromaticContact NE2-NE2 3.38Å; H368-H373 PolarHBondContact NE2-NE2 3.02Å; V369-H373 HydrophobicContact CG1-CB 4.25Å; V369-H373 CarbonylContact O-C 3.59Å; V369-H373 VanDerWaalsContact O-C 3.25Å; V369-H373 VanDerWaalsContact O-CA 3.29Å; V369-H373 WeakPolarHBondContact O-CA 3.38Å; V369-H373 WeakPolarHBondContact O-CB 3.01Å; V369-H373 PolarHBondContact O-N 2.92Å; H373-N375 PolarHBondContact O-N 3.03Å; H373-N375 VanDerWaalsContact O-N 3.11Å; H373-L376 HydrophobicContact CB-CD1 4.05Å; H373-L376 HydrophobicContact CB-CG 4.5Å; H373-L376 VanDerWaalsContact ND1-CD1 3.35Å; H373-L376 WeakPolarHBondContact ND1-CD1 3.45Å; H373-L376 PolarHBondContact O-N 2.89Å |
| 374 | A | 74.4 | Confident | 65.5 | Low | 58 Ų | 58 | 106.7 Ų | 106.7 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -52.5 | -35.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V369 K370 | V369-A374 PolarHBondContact O-N 3.19Å; V369-A374 VanDerWaalsContact O-N 3.13Å; K370-A374 WeakPolarHBondContact O-CB 3.37Å |
| 375 | N | 63.9 | Low | 64.6 | Low | 153 Ų | 153 | 105.8 Ų | 105.8 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -86 | -7.4 | -177.7 | -63.3 | -18.3 | 0 | 0 | 0 | 113.8 | H373 G377 | H373-N375 PolarHBondContact O-N 3.03Å; H373-N375 VanDerWaalsContact O-N 3.11Å; N375-G377 VanDerWaalsContact C-N 3.34Å |
| 376 | L | 57.9 | Low | 63.4 | Low | 104 Ų | 104 | 110.1 Ų | 110.1 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -85.2 | -8.2 | 176.4 | -60.8 | 179.6 | 0 | 0 | 0 | 112.8 | H354 H373 | H354-L376 HydrophobicContact CB-CD1 4.17Å; H373-L376 HydrophobicContact CB-CD1 4.05Å; H373-L376 HydrophobicContact CB-CG 4.5Å; H373-L376 VanDerWaalsContact ND1-CD1 3.35Å; H373-L376 WeakPolarHBondContact ND1-CD1 3.45Å; H373-L376 PolarHBondContact O-N 2.89Å |
| 377 | G | 46.4 | Very low | 62.2 | Low | 70 Ų | 70 | 112.1 Ų | 112.1 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -87.8 | 9 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | N375 | N375-G377 VanDerWaalsContact C-N 3.34Š|
| 378 | K | 42.8 | Very low | 60.6 | Low | 206 Ų | 206 | 117.3 Ų | 117.3 | 90% | 0.896 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -114.7 | 6.1 | -177.5 | -77.1 | -165.7 | 174.8 | -173.9 | 0 | 115.4 | ||
| 379 | G | 31.1 | Very low | 58.8 | Low | 50 Ų | 50 | 123.8 Ų | 123.8 | 52% | 0.515 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -157.9 | 100 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 380 | N | 30.3 | Very low | 56.7 | Low | 163 Ų | 163 | 129.5 Ų | 129.5 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | trans | 173.1 | 70.3 | 144.1 | -87.5 | -5.4 | 0 | 0 | 0 | 110.2 | ||||
| 381 | T | 34.7 | Very low | 54.2 | Low | 148 Ų | 148 | 126.6 Ų | 126.6 | 91% | 0.908 | 72% | 0.718 | S | S | * | * | trans | -116.6 | 60.2 | 154.9 | 56.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 382 | Q | 34.4 | Very low | 51.4 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -143.8 | 95.3 | 169.7 | -81.2 | -165.3 | -9.2 | 0 | 0 | 109.9 | ||||
| 383 | T | 31.2 | Very low | 48.2 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | 179.4 | 123.6 | 163 | 40.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 384 | V | 41.3 | Very low | 44.4 | Very low | 213 Ų | 213 | 134.4 Ų | 134.4 | 100% | 1.291 | 79% | 0.792 | S | S | * | * | cis | -137.3 | 0 | -1.4 | 173.8 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 384 of 384 residues in 127.4 ms
(Link to these results)