| 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 | 48.4 | Very low | 51.7 | Low | 243 Ų | 243 | 126.4 Ų | 126.4 | 100% | 1.197 | 71% | 0.711 | S | S | * | * | 0 | 67.6 | 0 | -59.1 | 173.3 | -171.5 | 0 | 0 | 110.9 | |||||
| 2 | R | 47.7 | Very low | 51.9 | Low | 255 Ų | 255 | 125.1 Ų | 125.1 | 96% | 0.962 | 70% | 0.7 | S | S | * | * | trans | -153.5 | 87.9 | 175 | -74.6 | -170.7 | 178.4 | 171 | -1.5 | 109.1 | ||||
| 3 | A | 50 | Low | 51.8 | Low | 89 Ų | 89 | 122.6 Ų | 122.6 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | -157.4 | -18.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 4 | T | 53.3 | Low | 51.6 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 5.3 | -164.3 | 44.1 | 0 | 0 | 0 | 0 | 116 | ||
| 5 | A | 53.2 | Low | 51.6 | Low | 83 Ų | 83 | 120 Ų | 120 | 69% | 0.686 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -17 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 6 | A | 52.3 | Low | 51.3 | Low | 71 Ų | 71 | 116.5 Ų | 116.5 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88.8 | -21.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 7 | T | 53.8 | Low | 50.9 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 58% | 0.583 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80.9 | -29.3 | -174.1 | 38.9 | 0 | 0 | 0 | 0 | 113.9 | L11 | T7-L11 PolarHBondContact O-N 3.22Å |
| 8 | I | 53.4 | Low | 50.5 | Low | 109 Ų | 109 | 120.1 Ų | 120.1 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.2 | -40.6 | -177.8 | -60.9 | 175 | 0 | 0 | 0 | 110.9 | L10 L11 I12 | I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 3.28Å; I8-L11 PolarHBondContact O-N 3.3Å; I8-I12 HydrophobicContact CG2-CD1 4.34Å; I8-I12 PolarHBondContact O-N 3.17Å |
| 9 | T | 51.8 | Low | 50 | Low | 86 Ų | 86 | 119.8 Ų | 119.8 | 53% | 0.528 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -65.4 | -33.3 | 179.7 | -27.9 | 0 | 0 | 0 | 0 | 112.5 | I12 I13 | T9-I12 PolarHBondContact O-N 3.11Å; T9-I13 WeakPolarHBondContact O-CG1 3.4Å; T9-I13 PolarHBondContact O-N 3.23Å |
| 10 | L | 51.6 | Low | 49.3 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 61% | 0.613 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.9 | -30.8 | 178.3 | -126.5 | 109.3 | 0 | 0 | 0 | 112.7 | I8 K14 | I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 3.28Å; L10-K14 PolarHBondContact O-N 3.42Å; L10-K14 VanDerWaalsContact O-N 3.1Å |
| 11 | L | 52.8 | Low | 48.8 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 63% | 0.634 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.9 | -38.2 | 174 | -79.6 | 164.5 | 0 | 0 | 0 | 112 | T7 I8 I13 K14 A15 | T7-L11 PolarHBondContact O-N 3.22Å; I8-L11 PolarHBondContact O-N 3.3Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.24Å; L11-K14 PolarHBondContact O-N 3.42Å; L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 3.46Å |
| 12 | I | 54 | Low | 48.1 | Very low | 111 Ų | 111 | 110.4 Ų | 110.4 | 57% | 0.569 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.4 | -38.5 | 176.1 | -63.1 | 169.1 | 0 | 0 | 0 | 110.9 | I8 T9 A15 A16 | I8-I12 HydrophobicContact CG2-CD1 4.34Å; I8-I12 PolarHBondContact O-N 3.17Å; T9-I12 PolarHBondContact O-N 3.11Å; I12-A15 PolarHBondContact O-N 3.18Å; I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.22Å |
| 13 | I | 51.4 | Low | 47.4 | Very low | 93 Ų | 93 | 105.9 Ų | 105.9 | 48% | 0.477 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.7 | -43.4 | 175.5 | -65 | 169.4 | 0 | 0 | 0 | 110.9 | T9 L11 A15 A16 F17 | T9-I13 WeakPolarHBondContact O-CG1 3.4Å; T9-I13 PolarHBondContact O-N 3.23Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.24Å; I13-A15 PolarHBondContact O-N 3.24Å; I13-A16 PolarHBondContact O-N 3.28Å; I13-F17 HydrophobicContact CG2-CD2 3.94Å; I13-F17 HydrophobicContact CG2-CE2 4.2Å; I13-F17 WeakPolarHBondContact O-CD2 3.48Å; I13-F17 PolarHBondContact O-N 2.97Å; I13-F17 VanDerWaalsContact O-N 3.07Å |
| 14 | K | 49.1 | Very low | 46.9 | Very low | 145 Ų | 145 | 106.2 Ų | 106.2 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64 | -38.3 | 174.8 | -80.5 | -163.3 | 169.7 | -164.7 | 0 | 113.1 | L10 L11 F17 L18 | L10-K14 PolarHBondContact O-N 3.42Å; L10-K14 VanDerWaalsContact O-N 3.1Å; L11-K14 PolarHBondContact O-N 3.42Å; K14-F17 PolarHBondContact O-N 3.27Å; K14-L18 WeakPolarHBondContact O-CD1 3.43Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 3.27Å |
| 15 | A | 50.7 | Low | 46.2 | Very low | 61 Ų | 61 | 105.1 Ų | 105.1 | 50% | 0.504 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L11 I12 I13 L18 | L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 3.46Å; I12-A15 PolarHBondContact O-N 3.18Å; I13-A15 PolarHBondContact O-N 3.24Å; A15-L18 PolarHBondContact O-N 3.37Å |
| 16 | A | 47.5 | Very low | 45.6 | Very low | 64 Ų | 64 | 106.9 Ų | 106.9 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.3 | -30.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I12 I13 T19 | I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.22Å; I13-A16 PolarHBondContact O-N 3.28Å; A16-T19 PolarHBondContact O-OG1 3.43Å |
| 17 | F | 43.7 | Very low | 45.1 | Very low | 154 Ų | 154 | 106.7 Ų | 106.7 | 68% | 0.675 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -3.9 | 175.9 | -88 | -81.3 | 0 | 0 | 0 | 114.5 | I13 K14 | I13-F17 HydrophobicContact CG2-CD2 3.94Å; I13-F17 HydrophobicContact CG2-CE2 4.2Å; I13-F17 WeakPolarHBondContact O-CD2 3.48Å; I13-F17 PolarHBondContact O-N 2.97Å; I13-F17 VanDerWaalsContact O-N 3.07Å; K14-F17 PolarHBondContact O-N 3.27Å |
| 18 | L | 43.8 | Very low | 44.4 | Very low | 144 Ų | 144 | 108 Ų | 108 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 2.1 | 175.9 | -78.7 | 166.9 | 0 | 0 | 0 | 113.7 | K14 A15 | K14-L18 WeakPolarHBondContact O-CD1 3.43Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 3.27Å; A15-L18 PolarHBondContact O-N 3.37Å |
| 19 | T | 41.1 | Very low | 43.8 | Very low | 114 Ų | 114 | 108.4 Ų | 108.4 | 70% | 0.699 | 62% | 0.616 | S | S | * | * | trans | -102.5 | 5.2 | 175.4 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | A16 S21 | A16-T19 PolarHBondContact O-OG1 3.43Å; T19-S21 VanDerWaalsContact C-N 3.25Å; T19-S21 PolarHBondContact O-N 3.43Å; T19-S21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | T | 37.1 | Very low | 43.5 | Very low | 107 Ų | 107 | 109.4 Ų | 109.4 | 66% | 0.656 | 62% | 0.618 | S | S | * | * | trans | -76.9 | 87.4 | 156.2 | 55.6 | 0 | 0 | 0 | 0 | 107.2 | A22 | T20-A22 PolarHBondContact O-N 3.41Š| ||
| 21 | S | 38.5 | Very low | 42.9 | Very low | 98 Ų | 98 | 110.4 Ų | 110.4 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | trans | -46 | 127.5 | 153.2 | 48.3 | 0 | 0 | 0 | 0 | 107 | T19 D23 | T19-S21 VanDerWaalsContact C-N 3.25Å; T19-S21 PolarHBondContact O-N 3.43Å; T19-S21 VanDerWaalsContact O-N 3.11Å; S21-D23 PolarHBondContact O-N 3.07Å | ||
| 22 | A | 33.4 | Very low | 42.4 | Very low | 80 Ų | 80 | 108 Ų | 108 | 66% | 0.661 | 62% | 0.621 | S | S | * | * | trans | -56 | 116.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | T20 D24 | T20-A22 PolarHBondContact O-N 3.41Å; A22-D24 PolarHBondContact O-N 3.29Å | ||
| 23 | D | 33.5 | Very low | 42.4 | Very low | 161 Ų | 161 | 105.8 Ų | 105.8 | 86% | 0.861 | 61% | 0.61 | S | S | * | * | trans | -64 | 83 | 155.2 | -81 | -52.3 | 0 | 0 | 0 | 105.4 | S21 P25 | S21-D23 PolarHBondContact O-N 3.07Å; D23-P25 WeakPolarHBondContact O-CD 3.48Å; D23-P25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | D | 38.1 | Very low | 42.7 | Very low | 96 Ų | 96 | 107.7 Ų | 107.7 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | trans | -64.6 | 111.9 | 178 | -120.6 | -33 | 0 | 0 | 0 | 106.8 | A22 E26 A27 | A22-D24 PolarHBondContact O-N 3.29Å; D24-E26 PolarHBondContact O-N 3.33Å; D24-A27 WeakPolarHBondContact O-CB 3.36Å; D24-A27 PolarHBondContact O-N 3.48Å | ||
| 25 | P | 39.4 | Very low | 43.4 | Very low | 97 Ų | 97 | 104.6 Ų | 104.6 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -15.7 | -175.2 | 27.6 | -34.1 | 0 | 0 | 0 | 111.8 | D23 A27 E28 | D23-P25 WeakPolarHBondContact O-CD 3.48Å; D23-P25 VanDerWaalsContact O-N 3.14Å; P25-A27 VanDerWaalsContact C-N 3.3Å; P25-E28 PolarHBondContact O-N 2.9Å |
| 26 | E | 40.2 | Very low | 44.1 | Very low | 121 Ų | 121 | 102 Ų | 102 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72 | -20.8 | 173.5 | -56.7 | -168.5 | 129.9 | 0 | 0 | 112.9 | D24 E28 D29 | D24-E26 PolarHBondContact O-N 3.33Å; E26-E28 VanDerWaalsContact C-N 3.31Å; E26-E28 PolarHBondContact O-N 3.34Å; E26-D29 PolarHBondContact O-N 3.49Å |
| 27 | A | 42.5 | Very low | 45 | Very low | 67 Ų | 67 | 101.7 Ų | 101.7 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.5 | -20.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D24 P25 | D24-A27 WeakPolarHBondContact O-CB 3.36Å; D24-A27 PolarHBondContact O-N 3.48Å; P25-A27 VanDerWaalsContact C-N 3.3Å |
| 28 | E | 38.3 | Very low | 45.9 | Very low | 122 Ų | 122 | 95.9 Ų | 95.9 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -75.4 | -37.6 | 173.4 | -74.1 | -82 | 132.5 | 0 | 0 | 111.7 | P25 E26 L30 K31 | P25-E28 PolarHBondContact O-N 2.9Å; E26-E28 VanDerWaalsContact C-N 3.31Å; E26-E28 PolarHBondContact O-N 3.34Å; E28-L30 PolarHBondContact O-N 3.1Å; E28-K31 VanDerWaalsContact O-CB 3.27Å; E28-K31 WeakPolarHBondContact O-CB 3.22Å; E28-K31 VanDerWaalsContact O-CG 3.29Å; E28-K31 WeakPolarHBondContact O-CG 3.36Å; E28-K31 PolarHBondContact O-N 3.35Å; E28-K31 WeakPolarHBondContact OE1-CE 3.39Å; E28-K31 IonicContact OE1-NZ 2.59Å; E28-K31 PolarHBondContact OE1-NZ 3.11Å; E28-K31 IonicContact OE2-NZ 2.8Å; E28-K31 PolarHBondContact OE2-NZ 3.38Å |
| 29 | D | 42.3 | Very low | 46.8 | Very low | 118 Ų | 118 | 91.8 Ų | 91.8 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -75.5 | -21 | -178.3 | -90.2 | -18.4 | 0 | 0 | 0 | 113.3 | E26 K31 | E26-D29 PolarHBondContact O-N 3.49Å; D29-K31 PolarHBondContact O-N 3.09Å |
| 30 | L | 45 | Very low | 47.7 | Very low | 107 Ų | 107 | 90.7 Ų | 90.7 | 56% | 0.56 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -71.1 | -9.4 | 169.2 | -96.7 | 89.4 | 0 | 0 | 0 | 114.2 | E28 G32 I33 | E28-L30 PolarHBondContact O-N 3.1Å; L30-G32 PolarHBondContact O-N 3.23Å; L30-I33 PolarHBondContact O-N 2.99Å; L30-I33 VanDerWaalsContact O-N 3.07Å |
| 31 | K | 39.4 | Very low | 48.8 | Very low | 137 Ų | 137 | 89.3 Ų | 89.3 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -60.3 | -12 | 178.9 | -73 | 178.4 | 179 | 170.7 | 0 | 114.7 | E28 D29 | E28-K31 VanDerWaalsContact O-CB 3.27Å; E28-K31 WeakPolarHBondContact O-CB 3.22Å; E28-K31 VanDerWaalsContact O-CG 3.29Å; E28-K31 WeakPolarHBondContact O-CG 3.36Å; E28-K31 PolarHBondContact O-N 3.35Å; E28-K31 WeakPolarHBondContact OE1-CE 3.39Å; E28-K31 IonicContact OE1-NZ 2.59Å; E28-K31 PolarHBondContact OE1-NZ 3.11Å; E28-K31 IonicContact OE2-NZ 2.8Å; E28-K31 PolarHBondContact OE2-NZ 3.38Å; D29-K31 PolarHBondContact O-N 3.09Å |
| 32 | G | 42.5 | Very low | 49.8 | Very low | 70 Ų | 70 | 86.6 Ų | 86.6 | 72% | 0.722 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -81.7 | -21.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L30 | L30-G32 PolarHBondContact O-N 3.23Š|
| 33 | I | 52.2 | Low | 51.2 | Low | 65 Ų | 65 | 85 Ų | 85 | 33% | 0.333 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -110.2 | 106.2 | -179.7 | -54.3 | 175.6 | 0 | 0 | 0 | 107.5 | L30 P35 P221 | L30-I33 PolarHBondContact O-N 2.99Å; L30-I33 VanDerWaalsContact O-N 3.07Å; I33-P35 WeakPolarHBondContact O-CD 3.49Å; I33-P221 HydrophobicContact CD1-CB 3.9Å; I33-P221 HydrophobicContact CD1-CG 3.9Å; I33-P221 HydrophobicContact CG1-CB 4.33Å |
| 34 | L | 59.1 | Low | 52.6 | Low | 134 Ų | 134 | 80.3 Ų | 80.3 | 70% | 0.702 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 122.2 | 172.7 | -82.7 | 79.1 | 0 | 0 | 0 | 108.4 | C36 W71 | L34-C36 PolarHBondContact O-N 3.24Å; L34-W71 VanDerWaalsContact O-CD1 3.25Å |
| 35 | P | 63.2 | Low | 53.8 | Low | 80 Ų | 80 | 81 Ų | 81 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 134.2 | 168.2 | 27.7 | -33.2 | 0 | 0 | 0 | 108 | I33 K68 G69 | I33-P35 WeakPolarHBondContact O-CD 3.49Å; P35-K68 HydrophobicContact CB-CB 4.28Å; P35-G69 WeakPolarHBondContact CA-O 3.35Å |
| 36 | C | 64.9 | Low | 54.9 | Low | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.034 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 160.4 | 173.6 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | L34 C54 K68 G69 W71 | L34-C36 PolarHBondContact O-N 3.24Å; C36-C54 HydrophobicContact CB-CB 3.57Å; C36-C54 WeakPolarHBondContact CB-SG 3.06Å; C36-C54 WeakPolarHBondContact SG-CA 2.94Å; C36-C54 WeakPolarHBondContact SG-CB 3.29Å; C36-C54 CovalentContact SG-SG 2.01Å; C36-C54 PolarHBondContact SG-SG 2.75Å; C36-K68 CarbonylContact O-C 3.44Å; C36-K68 WeakPolarHBondContact O-CA 3.36Å; C36-G69 PolarHBondContact N-O 3.06Å; C36-G69 VanDerWaalsContact N-O 3.13Å; C36-G69 PolarHBondContact O-N 3.47Å; C36-G69 PolarHBondContact SG-O 2.98Å; C36-W71 HydrophobicContact CB-CD2 3.83Å; C36-W71 VanDerWaalsContact CB-CE2 3.42Å; C36-W71 HydrophobicContact CB-CE3 4.34Å; C36-W71 HydrophobicContact CB-CG 4.27Å; C36-W71 HydrophobicContact CB-CH2 4.18Å; C36-W71 HydrophobicContact CB-CZ2 3.63Å |
| 37 | D | 66.7 | Low | 56 | Low | 58 Ų | 58 | 79.4 Ų | 79.4 | 31% | 0.31 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 111.3 | 167.4 | 178.4 | -9 | 0 | 0 | 0 | 108 | G39 T40 D41 N67 | D37-G39 PolarHBondContact O-N 2.79Å; D37-G39 VanDerWaalsContact O-N 3.14Å; D37-G39 WeakPolarHBondContact OD1-CA 3.27Å; D37-G39 PolarHBondContact OD1-N 2.8Å; D37-T40 WeakPolarHBondContact CB-OG1 3.41Å; D37-T40 PolarHBondContact O-N 3.36Å; D37-D41 PolarHBondContact O-N 3.31Å; D37-N67 WeakPolarHBondContact OD1-CB 3.2Å |
| 38 | A | 62.8 | Low | 57 | Low | 32 Ų | 32 | 83.9 Ų | 83.9 | 26% | 0.264 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C54 K56 N67 | A38-C54 WeakPolarHBondContact CA-SG 3.41Å; A38-C54 PolarHBondContact N-SG 2.59Å; A38-C54 VanDerWaalsContact N-SG 3.4Å; A38-K56 HydrophobicContact CB-CB 3.98Å; A38-N67 WeakPolarHBondContact CB-O 3.42Å; A38-N67 PolarHBondContact N-O 3.32Å |
| 39 | G | 62.1 | Low | 58.1 | Low | 58 Ų | 58 | 80.5 Ų | 80.5 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -18.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | D37 | D37-G39 PolarHBondContact O-N 2.79Å; D37-G39 VanDerWaalsContact O-N 3.14Å; D37-G39 WeakPolarHBondContact OD1-CA 3.27Å; D37-G39 PolarHBondContact OD1-N 2.8Å |
| 40 | T | 61 | Low | 59.1 | Low | 92 Ų | 92 | 75.3 Ų | 75.3 | 56% | 0.564 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | -30 | -173.8 | 62.8 | 0 | 0 | 0 | 0 | 115.4 | D37 P42 | D37-T40 WeakPolarHBondContact CB-OG1 3.41Å; D37-T40 PolarHBondContact O-N 3.36Å; T40-P42 VanDerWaalsContact O-CD 3.24Å; T40-P42 WeakPolarHBondContact O-CD 3.41Å |
| 41 | D | 59 | Low | 60 | Low | 77 Ų | 77 | 71.7 Ų | 71.7 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | trans | -117.5 | 50.7 | -172.1 | -70.7 | -43.4 | 0 | 0 | 0 | 112.9 | D37 I43 C54 W71 | D37-D41 PolarHBondContact O-N 3.31Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.43Å; D41-C54 WeakPolarHBondContact O-CB 3.41Å; D41-W71 HydrophobicContact CB-CH2 3.82Å; D41-W71 HydrophobicContact CB-CZ2 4.05Å; D41-W71 WeakPolarHBondContact O-CH2 3.46Å; D41-W71 WeakPolarHBondContact O-CZ3 3.33Å | ||
| 42 | P | 60.7 | Low | 61.2 | Low | 41 Ų | 41 | 67.8 Ų | 67.8 | 27% | 0.266 | 41% | 0.414 | S | S | . | . | trans | -62.8 | -34.5 | -168.9 | 25.8 | -35.4 | 0 | 0 | 0 | 114 | T40 I53 C54 F285 | T40-P42 VanDerWaalsContact O-CD 3.24Å; T40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-I53 CarbonylContact O-C 3.45Å; P42-I53 WeakPolarHBondContact O-CA 3.22Å; P42-C54 PolarHBondContact O-N 3.48Å; P42-F285 HydrophobicContact CB-CE2 3.84Å; P42-F285 HydrophobicContact CB-CZ 3.94Å | ||
| 43 | I | 61.6 | Low | 62.3 | Low | 47 Ų | 47 | 65 Ų | 65 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 136.8 | -178.1 | -55.4 | 179.9 | 0 | 0 | 0 | 111.9 | D41 Y51 F52 G284 F285 | D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.43Å; I43-Y51 HydrophobicContact CG2-CD2 3.96Å; I43-Y51 HydrophobicContact CG2-CG 4.43Å; I43-F52 CarbonylContact C-O 3.46Å; I43-F52 VanDerWaalsContact CA-O 3.26Å; I43-F52 WeakPolarHBondContact CA-O 3.32Å; I43-G284 WeakPolarHBondContact CD1-O 3.49Å; I43-F285 VanDerWaalsContact CD1-CA 3.46Å; I43-F285 HydrophobicContact CD1-CB 4.06Å; I43-F285 HydrophobicContact CD1-CD1 3.55Å; I43-F285 HydrophobicContact CD1-CD2 4.17Å; I43-F285 HydrophobicContact CD1-CE1 3.96Å; I43-F285 HydrophobicContact CD1-CG 3.66Å; I43-F285 HydrophobicContact CD1-CZ 4.42Å; I43-F285 HydrophobicContact CG1-CD1 4.04Å; I43-F285 HydrophobicContact CG1-CE1 3.9Å; I43-F285 HydrophobicContact CG1-CG 4.4Å; I43-F285 HydrophobicContact CG1-CZ 4.14Å |
| 44 | V | 63.3 | Low | 62.8 | Low | 63 Ų | 63 | 62.2 Ų | 62.2 | 38% | 0.382 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.7 | 168.9 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | Y51 F52 W71 | V44-Y51 CarbonylContact O-C 3.44Å; V44-Y51 WeakPolarHBondContact O-CA 3.35Å; V44-F52 HydrophobicContact CB-CB 4.48Å; V44-F52 PolarHBondContact N-O 3.05Å; V44-F52 PolarHBondContact O-N 3.09Å; V44-W71 HydrophobicContact CB-CH2 4.19Å; V44-W71 HydrophobicContact CB-CZ3 4.28Å; V44-W71 HydrophobicContact CG2-CH2 3.44Å; V44-W71 VanDerWaalsContact CG2-CH2 3.44Å; V44-W71 HydrophobicContact CG2-CZ2 4.14Å; V44-W71 HydrophobicContact CG2-CZ3 3.99Å |
| 45 | P | 63.7 | Low | 63 | Low | 109 Ų | 109 | 56.7 Ų | 56.7 | 71% | 0.708 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 138.7 | 178.5 | 27.1 | -34.3 | 0 | 0 | 0 | 111.8 | ||
| 46 | Y | 63.2 | Low | 63.3 | Low | 116 Ų | 116 | 54.5 Ų | 54.5 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | trans | -128.7 | 86.5 | -176.5 | -174.4 | -106.2 | 0 | 0 | 0 | 111.5 | G50 F52 | Y46-G50 CarbonylContact C-O 3.14Å; Y46-G50 WeakPolarHBondContact CA-O 3.45Å; Y46-G50 PolarHBondContact N-O 2.94Å; Y46-G50 CarbonylContact O-C 3.55Å; Y46-G50 VanDerWaalsContact O-O 3.12Å; Y46-F52 HydrophobicContact CD1-CE2 4.35Å; Y46-F52 HydrophobicContact CD2-CD2 4.08Å; Y46-F52 AromaticContact CD2-CE2 3.28Å; Y46-F52 HydrophobicContact CD2-CE2 3.28Å; Y46-F52 AromaticContact CD2-CZ 4Å; Y46-F52 HydrophobicContact CD2-CZ 4Å; Y46-F52 AromaticContact CE2-CE2 3.86Å; Y46-F52 HydrophobicContact CE2-CE2 3.86Å; Y46-F52 HydrophobicContact CE2-CZ 4.2Å; Y46-F52 HydrophobicContact CG-CD2 4.08Å; Y46-F52 AromaticContact CG-CE2 3.55Å; Y46-F52 HydrophobicContact CG-CE2 3.55Å; Y46-F52 HydrophobicContact CG-CZ 4.14Å | ||
| 47 | G | 63.6 | Low | 63.2 | Low | 69 Ų | 69 | 56.5 Ų | 56.5 | 71% | 0.711 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 72.4 | -162.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 48 | E | 62.1 | Low | 62.8 | Low | 162 Ų | 162 | 56.3 Ų | 56.3 | 76% | 0.757 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -82.8 | -19.1 | -176.6 | -61.1 | 177.6 | 159.4 | 0 | 0 | 112.7 | S82 F83 | E48-S82 WeakPolarHBondContact O-CA 3.44Å; E48-F83 PolarHBondContact O-N 2.89Å; E48-F83 VanDerWaalsContact O-N 3.13Å |
| 49 | N | 61.7 | Low | 62.7 | Low | 51 Ų | 51 | 55.9 Ų | 55.9 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -117.8 | 7.2 | -167.2 | -69.3 | -3.6 | 0 | 0 | 0 | 114.2 | S75 C76 T80 S81 S82 | N49-S75 VanDerWaalsContact O-CA 3.27Å; N49-S75 WeakPolarHBondContact O-CA 3.43Å; N49-C76 PolarHBondContact O-N 2.8Å; N49-T80 PolarHBondContact ND2-O 2.82Å; N49-T80 PolarHBondContact OD1-O 3.37Å; N49-S81 VanDerWaalsContact OD1-C 3.27Å; N49-S82 PolarHBondContact OD1-N 2.6Å |
| 50 | G | 63.7 | Low | 62.2 | Low | 8 Ų | 8 | 54.5 Ų | 54.5 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 174.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y46 W74 | Y46-G50 CarbonylContact C-O 3.14Å; Y46-G50 WeakPolarHBondContact CA-O 3.45Å; Y46-G50 PolarHBondContact N-O 2.94Å; Y46-G50 CarbonylContact O-C 3.55Å; Y46-G50 VanDerWaalsContact O-O 3.12Å; G50-W74 CarbonylContact C-O 3.54Å; G50-W74 WeakPolarHBondContact CA-O 3.46Å |
| 51 | Y | 64.3 | Low | 61.6 | Low | 31 Ų | 31 | 53.7 Ų | 53.7 | 12% | 0.122 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 155.6 | 179.9 | 56.7 | -78.5 | 0 | 0 | 0 | 109.9 | I43 V44 I53 W74 F83 | I43-Y51 HydrophobicContact CG2-CD2 3.96Å; I43-Y51 HydrophobicContact CG2-CG 4.43Å; V44-Y51 CarbonylContact O-C 3.44Å; V44-Y51 WeakPolarHBondContact O-CA 3.35Å; Y51-I53 HydrophobicContact CD2-CD1 4.32Å; Y51-I53 HydrophobicContact CD2-CG1 3.67Å; Y51-I53 HydrophobicContact CE2-CD1 3.62Å; Y51-I53 HydrophobicContact CE2-CG1 3.46Å; Y51-I53 VanDerWaalsContact CE2-CG1 3.46Å; Y51-W74 HydrophobicContact CD1-CB 4.02Å; Y51-W74 HydrophobicContact CD2-CB 4.25Å; Y51-W74 HydrophobicContact CE1-CB 3.64Å; Y51-W74 HydrophobicContact CE1-CG 4.43Å; Y51-W74 HydrophobicContact CE2-CB 3.93Å; Y51-W74 HydrophobicContact CE2-CG 4.25Å; Y51-W74 HydrophobicContact CG-CB 4.29Å; Y51-W74 AromaticContact CZ-CG 3.95Å; Y51-W74 PolarHBondContact N-O 2.8Å; Y51-W74 PolarHBondContact O-N 3.28Å; Y51-F83 HydrophobicContact CD1-CD2 4.4Å; Y51-F83 HydrophobicContact CD1-CE2 4.39Å; Y51-F83 HydrophobicContact CE1-CD2 4.02Å; Y51-F83 AromaticContact CE1-CE2 3.58Å; Y51-F83 HydrophobicContact CE1-CE2 3.58Å; Y51-F83 AromaticContact CE1-CZ 3.91Å; Y51-F83 HydrophobicContact CE1-CZ 3.91Å |
| 52 | F | 63.9 | Low | 60.9 | Low | 56 Ų | 56 | 54.1 Ų | 54.1 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.7 | 165.2 | -67.5 | -76.2 | 0 | 0 | 0 | 109.3 | I43 V44 Y46 W71 I72 R73 | I43-F52 CarbonylContact C-O 3.46Å; I43-F52 VanDerWaalsContact CA-O 3.26Å; I43-F52 WeakPolarHBondContact CA-O 3.32Å; V44-F52 HydrophobicContact CB-CB 4.48Å; V44-F52 PolarHBondContact N-O 3.05Å; V44-F52 PolarHBondContact O-N 3.09Å; Y46-F52 HydrophobicContact CD1-CE2 4.35Å; Y46-F52 HydrophobicContact CD2-CD2 4.08Å; Y46-F52 AromaticContact CD2-CE2 3.28Å; Y46-F52 HydrophobicContact CD2-CE2 3.28Å; Y46-F52 AromaticContact CD2-CZ 4Å; Y46-F52 HydrophobicContact CD2-CZ 4Å; Y46-F52 AromaticContact CE2-CE2 3.86Å; Y46-F52 HydrophobicContact CE2-CE2 3.86Å; Y46-F52 HydrophobicContact CE2-CZ 4.2Å; Y46-F52 HydrophobicContact CG-CD2 4.08Å; Y46-F52 AromaticContact CG-CE2 3.55Å; Y46-F52 HydrophobicContact CG-CE2 3.55Å; Y46-F52 HydrophobicContact CG-CZ 4.14Å; F52-W71 HydrophobicContact CB-CD2 4.33Å; F52-W71 HydrophobicContact CB-CE3 3.6Å; F52-W71 HydrophobicContact CB-CZ3 4.06Å; F52-W71 HydrophobicContact CD1-CB 4.42Å; F52-I72 CarbonylContact C-O 3.54Å; F52-I72 VanDerWaalsContact CA-O 3.31Å; F52-I72 WeakPolarHBondContact CA-O 3.42Å; F52-R73 HydrophobicContact CD1-CB 3.78Å; F52-R73 HydrophobicContact CD1-CG 4.28Å; F52-R73 HydrophobicContact CE1-CB 3.63Å; F52-R73 HydrophobicContact CE1-CG 3.98Å |
| 53 | I | 65 | Low | 60.5 | Low | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.9 | 171.2 | -62 | 171.5 | 0 | 0 | 0 | 108.1 | P42 Y51 W71 I72 W74 F285 | P42-I53 CarbonylContact O-C 3.45Å; P42-I53 WeakPolarHBondContact O-CA 3.22Å; Y51-I53 HydrophobicContact CD2-CD1 4.32Å; Y51-I53 HydrophobicContact CD2-CG1 3.67Å; Y51-I53 HydrophobicContact CE2-CD1 3.62Å; Y51-I53 HydrophobicContact CE2-CG1 3.46Å; Y51-I53 VanDerWaalsContact CE2-CG1 3.46Å; I53-W71 CarbonylContact O-C 3.37Å; I53-W71 WeakPolarHBondContact O-CA 3.34Å; I53-I72 HydrophobicContact CB-CB 4.44Å; I53-I72 PolarHBondContact N-O 3.2Å; I53-I72 PolarHBondContact O-N 2.94Å; I53-W74 HydrophobicContact CD1-CG 4.15Å; I53-F285 HydrophobicContact CG1-CE1 4.35Å; I53-F285 HydrophobicContact CG2-CE1 3.68Å; I53-F285 HydrophobicContact CG2-CZ 4.24Å |
| 54 | C | 63.7 | Low | 60.2 | Low | 7 Ų | 7 | 63.8 Ų | 63.8 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.8 | 161.2 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | C36 A38 D41 P42 W71 | C36-C54 HydrophobicContact CB-CB 3.57Å; C36-C54 WeakPolarHBondContact CB-SG 3.06Å; C36-C54 WeakPolarHBondContact SG-CA 2.94Å; C36-C54 WeakPolarHBondContact SG-CB 3.29Å; C36-C54 CovalentContact SG-SG 2.01Å; C36-C54 PolarHBondContact SG-SG 2.75Å; A38-C54 WeakPolarHBondContact CA-SG 3.41Å; A38-C54 PolarHBondContact N-SG 2.59Å; A38-C54 VanDerWaalsContact N-SG 3.4Å; D41-C54 WeakPolarHBondContact O-CB 3.41Å; P42-C54 PolarHBondContact O-N 3.48Å; C54-W71 HydrophobicContact CB-CE3 4.21Å; C54-W71 HydrophobicContact CB-CH2 4.39Å; C54-W71 HydrophobicContact CB-CZ3 3.97Å |
| 55 | Q | 63.9 | Low | 59.9 | Low | 17 Ų | 17 | 66.2 Ų | 66.2 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.4 | 175.2 | -176.7 | -178.6 | -19.1 | 0 | 0 | 110.7 | T57 G69 L70 I72 Y271 | Q55-T57 PolarHBondContact O-N 2.99Å; Q55-G69 CarbonylContact O-C 3.53Å; Q55-G69 WeakPolarHBondContact O-CA 3.3Å; Q55-L70 PolarHBondContact N-O 3.42Å; Q55-L70 VanDerWaalsContact N-O 3.11Å; Q55-L70 PolarHBondContact O-N 3.01Å; Q55-I72 HydrophobicContact CB-CD1 3.61Å; Q55-I72 HydrophobicContact CG-CD1 4.4Å; Q55-Y271 VanDerWaalsContact CD-CE1 3.47Å; Q55-Y271 HydrophobicContact CG-CE1 4.32Å; Q55-Y271 VanDerWaalsContact NE2-CD1 3.26Å |
| 56 | K | 67.6 | Low | 59.8 | Low | 35 Ų | 35 | 62.3 Ų | 62.3 | 15% | 0.152 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 129.3 | 174.5 | -168 | -173.8 | 177.1 | -171.3 | 0 | 109.4 | A38 D65 S66 D122 | A38-K56 HydrophobicContact CB-CB 3.98Å; K56-D65 IonicContact NZ-OD1 3.69Å; K56-D65 PolarHBondContact NZ-OD1 2.76Å; K56-S66 WeakPolarHBondContact CE-O 3.41Å; K56-D122 WeakPolarHBondContact CB-O 3.43Å |
| 57 | T | 63.1 | Low | 59.8 | Low | 46 Ų | 46 | 61.1 Ų | 61.1 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 144.4 | 173.8 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | Q55 V59 K68 L70 | Q55-T57 PolarHBondContact O-N 2.99Å; T57-V59 PolarHBondContact O-N 3.04Å; T57-K68 PolarHBondContact N-O 3.5Å; T57-K68 PolarHBondContact OG1-O 3.11Å; T57-L70 HydrophobicContact CG2-CD1 3.61Å; T57-L70 HydrophobicContact CG2-CG 3.64Å |
| 58 | P | 58.5 | Low | 59.9 | Low | 55 Ų | 55 | 64 Ų | 64 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.4 | 169.6 | 26 | -33.5 | 0 | 0 | 0 | 109.7 | Y144 | P58-Y144 HydrophobicContact CG-CE1 4.44Š|
| 59 | V | 60.2 | Low | 60 | Low | 23 Ų | 23 | 56.4 Ų | 56.4 | 14% | 0.139 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -88 | 137.9 | -173.7 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | T57 Q63 | T57-V59 PolarHBondContact O-N 3.04Å; V59-Q63 HydrophobicContact CG1-CB 3.84Å; V59-Q63 HydrophobicContact CG1-CG 4.25Å; V59-Q63 WeakPolarHBondContact CG1-O 3.45Å |
| 60 | A | 53.1 | Low | 60.2 | Low | 29 Ų | 29 | 57.7 Ų | 57.7 | 24% | 0.24 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 147.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G62 Q63 L160 | A60-G62 PolarHBondContact O-N 3.32Å; A60-G62 VanDerWaalsContact O-N 3.1Å; A60-Q63 HydrophobicContact CB-CB 4.35Å; A60-Q63 VanDerWaalsContact O-CB 3.3Å; A60-Q63 WeakPolarHBondContact O-CB 3.05Å; A60-Q63 PolarHBondContact O-N 3.44Å; A60-L160 HydrophobicContact CB-CB 4.13Å; A60-L160 HydrophobicContact CB-CD2 4.05Å |
| 61 | V | 46.6 | Very low | 60.1 | Low | 75 Ų | 75 | 60.7 Ų | 60.7 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 119.4 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | H159 L160 M161 | V61-H159 HydrophobicContact CG2-CB 3.6Å; V61-L160 WeakPolarHBondContact CG2-O 3.49Å; V61-L160 PolarHBondContact N-O 3.44Å; V61-M161 HydrophobicContact CG2-SD 3.82Å |
| 62 | G | 44.6 | Very low | 60.2 | Low | 86 Ų | 86 | 60.4 Ų | 60.4 | 89% | 0.887 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -0.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A60 | A60-G62 PolarHBondContact O-N 3.32Å; A60-G62 VanDerWaalsContact O-N 3.1Å |
| 63 | Q | 52.4 | Low | 60.3 | Low | 116 Ų | 116 | 63 Ų | 63 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -86.4 | 138 | 167.9 | -171.8 | 175.9 | 8.7 | 0 | 0 | 109.7 | V59 A60 | V59-Q63 HydrophobicContact CG1-CB 3.84Å; V59-Q63 HydrophobicContact CG1-CG 4.25Å; V59-Q63 WeakPolarHBondContact CG1-O 3.45Å; A60-Q63 HydrophobicContact CB-CB 4.35Å; A60-Q63 VanDerWaalsContact O-CB 3.3Å; A60-Q63 WeakPolarHBondContact O-CB 3.05Å; A60-Q63 PolarHBondContact O-N 3.44Å |
| 64 | E | 55.1 | Low | 60.2 | Low | 175 Ų | 175 | 64.2 Ų | 64.2 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | trans | -64.6 | 143.3 | 175.5 | -70 | -174.7 | 161.9 | 0 | 0 | 111.3 | S66 | E64-S66 PolarHBondContact O-N 3.28Š| ||
| 65 | D | 58.4 | Low | 60.2 | Low | 114 Ų | 114 | 67 Ų | 67 | 61% | 0.61 | 36% | 0.364 | S | S | * | . | trans | -51.6 | 103.3 | 173.1 | -109.1 | -47.4 | 0 | 0 | 0 | 110.6 | K56 | K56-D65 IonicContact NZ-OD1 3.69Å; K56-D65 PolarHBondContact NZ-OD1 2.76Å | ||
| 66 | S | 60.6 | Low | 60.1 | Low | 27 Ų | 27 | 66.8 Ų | 66.8 | 19% | 0.189 | 36% | 0.364 | C | S | . | . | trans | -110.1 | 129.3 | 177.6 | 97.4 | 0 | 0 | 0 | 0 | 109.1 | K56 E64 K68 | K56-S66 WeakPolarHBondContact CE-O 3.41Å; E64-S66 PolarHBondContact O-N 3.28Å; S66-K68 PolarHBondContact O-N 2.96Å; S66-K68 WeakPolarHBondContact OG-CB 3.4Å; S66-K68 PolarHBondContact OG-N 3.16Å | ||
| 67 | N | 64.6 | Low | 59.8 | Low | 90 Ų | 90 | 71.7 Ų | 71.7 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | trans | -70.4 | 6.8 | 170.9 | -63.4 | -5.6 | 0 | 0 | 0 | 112.6 | D37 A38 G69 | D37-N67 WeakPolarHBondContact OD1-CB 3.2Å; A38-N67 WeakPolarHBondContact CB-O 3.42Å; A38-N67 PolarHBondContact N-O 3.32Å; N67-G69 PolarHBondContact O-N 3.22Å | ||
| 68 | K | 64.4 | Low | 59.3 | Low | 130 Ų | 130 | 77.5 Ų | 77.5 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 131.7 | 177.9 | -62.9 | 178 | -179 | 174.3 | 0 | 109.3 | P35 C36 T57 S66 | P35-K68 HydrophobicContact CB-CB 4.28Å; C36-K68 CarbonylContact O-C 3.44Å; C36-K68 WeakPolarHBondContact O-CA 3.36Å; T57-K68 PolarHBondContact N-O 3.5Å; T57-K68 PolarHBondContact OG1-O 3.11Å; S66-K68 PolarHBondContact O-N 2.96Å; S66-K68 WeakPolarHBondContact OG-CB 3.4Å; S66-K68 PolarHBondContact OG-N 3.16Å |
| 69 | G | 64.6 | Low | 59.1 | Low | 2 Ų | 2 | 79 Ų | 79 | 2% | 0.021 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 174.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P35 C36 Q55 N67 | P35-G69 WeakPolarHBondContact CA-O 3.35Å; C36-G69 PolarHBondContact N-O 3.06Å; C36-G69 VanDerWaalsContact N-O 3.13Å; C36-G69 PolarHBondContact O-N 3.47Å; C36-G69 PolarHBondContact SG-O 2.98Å; Q55-G69 CarbonylContact O-C 3.53Å; Q55-G69 WeakPolarHBondContact O-CA 3.3Å; N67-G69 PolarHBondContact O-N 3.22Å |
| 70 | L | 65.2 | Low | 58.9 | Low | 78 Ų | 78 | 79.1 Ų | 79.1 | 41% | 0.408 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.9 | 172.8 | -70.7 | 167.4 | 0 | 0 | 0 | 110.4 | Q55 T57 I72 | Q55-L70 PolarHBondContact N-O 3.42Å; Q55-L70 VanDerWaalsContact N-O 3.11Å; Q55-L70 PolarHBondContact O-N 3.01Å; T57-L70 HydrophobicContact CG2-CD1 3.61Å; T57-L70 HydrophobicContact CG2-CG 3.64Å; L70-I72 PolarHBondContact O-N 3.23Å |
| 71 | W | 62.7 | Low | 59 | Low | 71 Ų | 71 | 82.5 Ų | 82.5 | 27% | 0.269 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 114.3 | 169 | -76.9 | 120 | 0 | 0 | 0 | 110.8 | L34 C36 D41 V44 F52 I53 C54 | L34-W71 VanDerWaalsContact O-CD1 3.25Å; C36-W71 HydrophobicContact CB-CD2 3.83Å; C36-W71 VanDerWaalsContact CB-CE2 3.42Å; C36-W71 HydrophobicContact CB-CE3 4.34Å; C36-W71 HydrophobicContact CB-CG 4.27Å; C36-W71 HydrophobicContact CB-CH2 4.18Å; C36-W71 HydrophobicContact CB-CZ2 3.63Å; D41-W71 HydrophobicContact CB-CH2 3.82Å; D41-W71 HydrophobicContact CB-CZ2 4.05Å; D41-W71 WeakPolarHBondContact O-CH2 3.46Å; D41-W71 WeakPolarHBondContact O-CZ3 3.33Å; V44-W71 HydrophobicContact CB-CH2 4.19Å; V44-W71 HydrophobicContact CB-CZ3 4.28Å; V44-W71 HydrophobicContact CG2-CH2 3.44Å; V44-W71 VanDerWaalsContact CG2-CH2 3.44Å; V44-W71 HydrophobicContact CG2-CZ2 4.14Å; V44-W71 HydrophobicContact CG2-CZ3 3.99Å; F52-W71 HydrophobicContact CB-CD2 4.33Å; F52-W71 HydrophobicContact CB-CE3 3.6Å; F52-W71 HydrophobicContact CB-CZ3 4.06Å; F52-W71 HydrophobicContact CD1-CB 4.42Å; I53-W71 CarbonylContact O-C 3.37Å; I53-W71 WeakPolarHBondContact O-CA 3.34Å; C54-W71 HydrophobicContact CB-CE3 4.21Å; C54-W71 HydrophobicContact CB-CH2 4.39Å; C54-W71 HydrophobicContact CB-CZ3 3.97Å |
| 72 | I | 65.4 | Low | 59.5 | Low | 25 Ų | 25 | 82 Ų | 82 | 13% | 0.128 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119 | 179.4 | -59 | 160.7 | 0 | 0 | 0 | 108.8 | F52 I53 Q55 L70 F268 M272 | F52-I72 CarbonylContact C-O 3.54Å; F52-I72 VanDerWaalsContact CA-O 3.31Å; F52-I72 WeakPolarHBondContact CA-O 3.42Å; I53-I72 HydrophobicContact CB-CB 4.44Å; I53-I72 PolarHBondContact N-O 3.2Å; I53-I72 PolarHBondContact O-N 2.94Å; Q55-I72 HydrophobicContact CB-CD1 3.61Å; Q55-I72 HydrophobicContact CG-CD1 4.4Å; L70-I72 PolarHBondContact O-N 3.23Å; I72-F268 HydrophobicContact CD1-CZ 4.24Å; I72-M272 HydrophobicContact CD1-CG 4.09Å; I72-M272 HydrophobicContact CD1-SD 3.73Å; I72-M272 HydrophobicContact CG1-SD 4.17Å; I72-M272 HydrophobicContact CG2-SD 3.81Å |
| 73 | R | 65.9 | Low | 60 | Low | 112 Ų | 112 | 79.9 Ų | 79.9 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 120.2 | 176.8 | -172.4 | 177.7 | 164.3 | -152.3 | -7 | 110.9 | F52 | F52-R73 HydrophobicContact CD1-CB 3.78Å; F52-R73 HydrophobicContact CD1-CG 4.28Å; F52-R73 HydrophobicContact CE1-CB 3.63Å; F52-R73 HydrophobicContact CE1-CG 3.98Å |
| 74 | W | 64.2 | Low | 60.3 | Low | 35 Ų | 35 | 76.6 Ų | 76.6 | 13% | 0.133 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.7 | 164.3 | -90.2 | 57.9 | 0 | 0 | 0 | 110.1 | G50 Y51 I53 P90 M272 P276 | G50-W74 CarbonylContact C-O 3.54Å; G50-W74 WeakPolarHBondContact CA-O 3.46Å; Y51-W74 HydrophobicContact CD1-CB 4.02Å; Y51-W74 HydrophobicContact CD2-CB 4.25Å; Y51-W74 HydrophobicContact CE1-CB 3.64Å; Y51-W74 HydrophobicContact CE1-CG 4.43Å; Y51-W74 HydrophobicContact CE2-CB 3.93Å; Y51-W74 HydrophobicContact CE2-CG 4.25Å; Y51-W74 HydrophobicContact CG-CB 4.29Å; Y51-W74 AromaticContact CZ-CG 3.95Å; Y51-W74 PolarHBondContact N-O 2.8Å; Y51-W74 PolarHBondContact O-N 3.28Å; I53-W74 HydrophobicContact CD1-CG 4.15Å; W74-P90 HydrophobicContact CH2-CG 4.48Å; W74-M272 WeakPolarHBondContact CZ2-O 3.05Å; W74-P276 HydrophobicContact CE3-CG 4.44Å; W74-P276 HydrophobicContact CH2-CG 3.78Å; W74-P276 HydrophobicContact CZ2-CG 3.9Å; W74-P276 HydrophobicContact CZ3-CG 4.06Å |
| 75 | S | 63.9 | Low | 60.2 | Low | 66 Ų | 66 | 70.5 Ų | 70.5 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 143 | 172.5 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | N49 | N49-S75 VanDerWaalsContact O-CA 3.27Å; N49-S75 WeakPolarHBondContact O-CA 3.43Å |
| 76 | C | 61.4 | Low | 60.2 | Low | 12 Ų | 12 | 73.2 Ų | 73.2 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 157.2 | 171.3 | -58.5 | 0 | 0 | 0 | 0 | 112 | N49 T80 F83 C88 | N49-C76 PolarHBondContact O-N 2.8Å; C76-T80 WeakPolarHBondContact CB-OG1 3.22Å; C76-F83 VanDerWaalsContact SG-CA 3.59Å; C76-F83 WeakPolarHBondContact SG-CD2 3.46Å; C76-C88 HydrophobicContact CB-CB 4Å; C76-C88 WeakPolarHBondContact CB-SG 3.48Å; C76-C88 WeakPolarHBondContact SG-CB 3.23Å; C76-C88 CovalentContact SG-SG 2.01Å; C76-C88 PolarHBondContact SG-SG 2.87Å |
| 77 | Y | 60.1 | Low | 60.2 | Low | 138 Ų | 138 | 78.1 Ų | 78.1 | 54% | 0.541 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 143 | 170.5 | -72.8 | -81.7 | 0 | 0 | 0 | 112.2 | G79 T80 | Y77-G79 PolarHBondContact O-N 2.83Å; Y77-T80 PolarHBondContact O-N 2.75Å; Y77-T80 PolarHBondContact O-OG1 2.73Å; Y77-T80 VanDerWaalsContact O-OG1 3.05Å |
| 78 | E | 53.1 | Low | 60 | Low | 169 Ų | 169 | 74.4 Ų | 74.4 | 79% | 0.79 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 123.4 | 174.7 | -62.6 | -169.7 | 156.2 | 0 | 0 | 110.3 | ||
| 79 | G | 55.4 | Low | 59.7 | Low | 85 Ų | 85 | 72.4 Ų | 72.4 | 88% | 0.876 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.4 | -14.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y77 | Y77-G79 PolarHBondContact O-N 2.83Š|
| 80 | T | 56.4 | Low | 59.5 | Low | 26 Ų | 26 | 73.8 Ų | 73.8 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | trans | -88.7 | 137.4 | 162.9 | 48.9 | 0 | 0 | 0 | 0 | 110 | N49 C76 Y77 K87 | N49-T80 PolarHBondContact ND2-O 2.82Å; N49-T80 PolarHBondContact OD1-O 3.37Å; C76-T80 WeakPolarHBondContact CB-OG1 3.22Å; Y77-T80 PolarHBondContact O-N 2.75Å; Y77-T80 PolarHBondContact O-OG1 2.73Å; Y77-T80 VanDerWaalsContact O-OG1 3.05Å; T80-K87 HydrophobicContact CG2-CB 4.34Å; T80-K87 HydrophobicContact CG2-CD 4.07Å | ||
| 81 | S | 53.3 | Low | 59 | Low | 100 Ų | 100 | 74.2 Ų | 74.2 | 70% | 0.699 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -96.4 | 2.9 | 178 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | N49 | N49-S81 VanDerWaalsContact OD1-C 3.27Š|
| 82 | S | 58.3 | Low | 58.8 | Low | 65 Ų | 65 | 73.5 Ų | 73.5 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -163.7 | 144.3 | -179.3 | 54.1 | 0 | 0 | 0 | 0 | 107.2 | E48 N49 D84 | E48-S82 WeakPolarHBondContact O-CA 3.44Å; N49-S82 PolarHBondContact OD1-N 2.6Å; S82-D84 PolarHBondContact O-N 2.97Å; S82-D84 VanDerWaalsContact O-N 3.15Å |
| 83 | F | 54.8 | Low | 58.1 | Low | 41 Ų | 41 | 80.4 Ų | 80.4 | 18% | 0.18 | 43% | 0.425 | C | S | . | . | trans | -56.1 | 118.8 | 171.4 | -178.7 | -87.1 | 0 | 0 | 0 | 111.6 | E48 Y51 C76 C88 M287 | E48-F83 PolarHBondContact O-N 2.89Å; E48-F83 VanDerWaalsContact O-N 3.13Å; Y51-F83 HydrophobicContact CD1-CD2 4.4Å; Y51-F83 HydrophobicContact CD1-CE2 4.39Å; Y51-F83 HydrophobicContact CE1-CD2 4.02Å; Y51-F83 AromaticContact CE1-CE2 3.58Å; Y51-F83 HydrophobicContact CE1-CE2 3.58Å; Y51-F83 AromaticContact CE1-CZ 3.91Å; Y51-F83 HydrophobicContact CE1-CZ 3.91Å; C76-F83 VanDerWaalsContact SG-CA 3.59Å; C76-F83 WeakPolarHBondContact SG-CD2 3.46Å; F83-C88 HydrophobicContact CD2-CB 4.23Å; F83-C88 HydrophobicContact CE2-CB 3.76Å; F83-C88 HydrophobicContact CZ-CB 4.22Å; F83-M287 HydrophobicContact CE1-SD 3.4Å; F83-M287 WeakPolarHBondContact CE1-SD 3.32Å; F83-M287 HydrophobicContact CZ-CE 4.26Å; F83-M287 HydrophobicContact CZ-SD 3.58Å; F83-M287 VanDerWaalsContact CZ-SD 3.58Å | ||
| 84 | D | 57.9 | Low | 57.6 | Low | 48 Ų | 48 | 76.8 Ų | 76.8 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | trans | -127.4 | 101.5 | -173.4 | -178.6 | -12.8 | 0 | 0 | 0 | 109.2 | S82 E86 K87 C88 | S82-D84 PolarHBondContact O-N 2.97Å; S82-D84 VanDerWaalsContact O-N 3.15Å; D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.87Å; D84-E86 VanDerWaalsContact O-N 3.13Å; D84-K87 HydrophobicContact CB-CB 4.34Å; D84-K87 PolarHBondContact O-N 2.75Å; D84-K87 WeakPolarHBondContact OD2-CD 3.47Å; D84-K87 IonicContact OD2-NZ 2.59Å; D84-K87 PolarHBondContact OD2-NZ 3.47Å; D84-C88 PolarHBondContact N-SG 2.04Å; D84-C88 WeakPolarHBondContact O-CB 3.17Å; D84-C88 PolarHBondContact O-N 3.09Å; D84-C88 PolarHBondContact O-SG 3.37Å | ||
| 85 | E | 53.7 | Low | 57.4 | Low | 46 Ų | 46 | 79.9 Ų | 79.9 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -38.9 | -55.4 | -174.3 | 178.3 | 168.6 | -172 | 0 | 0 | 112.5 | K87 C88 K89 W277 M287 | E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 3.07Å; E85-C88 PolarHBondContact O-N 2.8Å; E85-K89 PolarHBondContact O-N 3.03Å; E85-K89 VanDerWaalsContact O-N 3.07Å; E85-W277 HydrophobicContact CB-CH2 4.35Å; E85-W277 HydrophobicContact CG-CH2 3.28Å; E85-W277 HydrophobicContact CG-CZ2 4.22Å; E85-W277 HydrophobicContact CG-CZ3 3.61Å; E85-W277 WeakPolarHBondContact O-CH2 3.28Å; E85-W277 WeakPolarHBondContact O-CZ2 3.36Å; E85-M287 HydrophobicContact CB-SD 3.83Å; E85-M287 HydrophobicContact CG-CB 4.45Å; E85-M287 HydrophobicContact CG-CE 3.91Å; E85-M287 HydrophobicContact CG-CG 4.1Å; E85-M287 HydrophobicContact CG-SD 3.61Å; E85-M287 WeakPolarHBondContact OE2-CB 3.47Å |
| 86 | E | 58.5 | Low | 57 | Low | 172 Ų | 172 | 78.8 Ų | 78.8 | 80% | 0.804 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.6 | -29.6 | -175.5 | -62.5 | -173.2 | 166.2 | 0 | 0 | 114 | D84 | D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.87Å; D84-E86 VanDerWaalsContact O-N 3.13Å |
| 87 | K | 60.8 | Low | 57.1 | Low | 130 Ų | 130 | 79.8 Ų | 79.8 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -93.7 | -24.2 | 179.8 | -62.3 | -173.8 | -175.3 | 67.3 | 0 | 113.4 | T80 D84 E85 | T80-K87 HydrophobicContact CG2-CB 4.34Å; T80-K87 HydrophobicContact CG2-CD 4.07Å; D84-K87 HydrophobicContact CB-CB 4.34Å; D84-K87 PolarHBondContact O-N 2.75Å; D84-K87 WeakPolarHBondContact OD2-CD 3.47Å; D84-K87 IonicContact OD2-NZ 2.59Å; D84-K87 PolarHBondContact OD2-NZ 3.47Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 3.07Å |
| 88 | C | 59.5 | Low | 57.5 | Low | 12 Ų | 12 | 76.2 Ų | 76.2 | 8% | 0.081 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -94.8 | 0.1 | -179 | -50.1 | 0 | 0 | 0 | 0 | 112.5 | C76 F83 D84 E85 | C76-C88 HydrophobicContact CB-CB 4Å; C76-C88 WeakPolarHBondContact CB-SG 3.48Å; C76-C88 WeakPolarHBondContact SG-CB 3.23Å; C76-C88 CovalentContact SG-SG 2.01Å; C76-C88 PolarHBondContact SG-SG 2.87Å; F83-C88 HydrophobicContact CD2-CB 4.23Å; F83-C88 HydrophobicContact CE2-CB 3.76Å; F83-C88 HydrophobicContact CZ-CB 4.22Å; D84-C88 PolarHBondContact N-SG 2.04Å; D84-C88 WeakPolarHBondContact O-CB 3.17Å; D84-C88 PolarHBondContact O-N 3.09Å; D84-C88 PolarHBondContact O-SG 3.37Å; E85-C88 PolarHBondContact O-N 2.8Å |
| 89 | K | 59.7 | Low | 58.3 | Low | 87 Ų | 87 | 73.3 Ų | 73.3 | 38% | 0.378 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -55.7 | 125.8 | 163.7 | -169.8 | 164.2 | -177.6 | 177.8 | 0 | 109.6 | E85 V91 L92 W277 | E85-K89 PolarHBondContact O-N 3.03Å; E85-K89 VanDerWaalsContact O-N 3.07Å; K89-V91 PolarHBondContact O-N 3.02Å; K89-L92 VanDerWaalsContact CE-CD1 3.46Å; K89-W277 HydrophobicContact CB-CH2 3.76Å; K89-W277 HydrophobicContact CB-CZ2 3.33Å; K89-W277 HydrophobicContact CD-CD2 4.33Å; K89-W277 HydrophobicContact CD-CE3 4.35Å; K89-W277 HydrophobicContact CD-CH2 3.98Å; K89-W277 HydrophobicContact CD-CZ2 4.04Å; K89-W277 HydrophobicContact CD-CZ3 4.18Å; K89-W277 HydrophobicContact CG-CD2 4.28Å; K89-W277 HydrophobicContact CG-CH2 4.03Å; K89-W277 HydrophobicContact CG-CZ2 3.6Å |
| 90 | P | 59.1 | Low | 59.2 | Low | 32 Ų | 32 | 77.4 Ų | 77.4 | 21% | 0.208 | 42% | 0.42 | C | S | . | . | trans | -58.1 | 135.8 | 169.2 | 24.1 | -30.4 | 0 | 0 | 0 | 108.1 | W74 L92 | W74-P90 HydrophobicContact CH2-CG 4.48Å; P90-L92 HydrophobicContact CB-CD2 4.49Å; P90-L92 HydrophobicContact CG-CD2 4.08Å; P90-L92 WeakPolarHBondContact O-CD2 3.17Å; P90-L92 WeakPolarHBondContact O-CG 3.37Å; P90-L92 PolarHBondContact O-N 2.83Å | ||
| 91 | V | 56 | Low | 60 | Low | 86 Ų | 86 | 77 Ų | 77 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | trans | -62.9 | 113.1 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | K89 E93 | K89-V91 PolarHBondContact O-N 3.02Å; V91-E93 HydrophobicContact CG1-CB 3.81Å; V91-E93 HydrophobicContact CG1-CG 3.64Å; V91-E93 PolarHBondContact O-N 3.27Å | ||
| 92 | L | 58.2 | Low | 61 | Low | 57 Ų | 57 | 75 Ų | 75 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | trans | -81.9 | 42.5 | -175.6 | -54.2 | -171.9 | 0 | 0 | 0 | 111.5 | K89 P90 F97 M274 | K89-L92 VanDerWaalsContact CE-CD1 3.46Å; P90-L92 HydrophobicContact CB-CD2 4.49Å; P90-L92 HydrophobicContact CG-CD2 4.08Å; P90-L92 WeakPolarHBondContact O-CD2 3.17Å; P90-L92 WeakPolarHBondContact O-CG 3.37Å; P90-L92 PolarHBondContact O-N 2.83Å; L92-F97 HydrophobicContact CB-CB 4.06Å; L92-F97 HydrophobicContact CB-CG 4.22Å; L92-F97 HydrophobicContact CD2-CD1 3.97Å; L92-F97 HydrophobicContact CD2-CD2 4.43Å; L92-F97 HydrophobicContact CD2-CE1 4.11Å; L92-F97 HydrophobicContact CD2-CG 4.15Å; L92-F97 HydrophobicContact CD2-CZ 4.4Å; L92-F97 WeakPolarHBondContact O-CB 3.41Å; L92-M274 HydrophobicContact CD1-CE 3.71Å; L92-M274 HydrophobicContact CD2-CE 3.22Å; L92-M274 HydrophobicContact CG-CE 4.11Å | ||
| 93 | E | 49.6 | Very low | 61.9 | Low | 169 Ų | 169 | 75.3 Ų | 75.3 | 79% | 0.79 | 40% | 0.397 | S | S | * | . | trans | -114 | 108.8 | -179.5 | -62.8 | 177.2 | -177.7 | 0 | 0 | 107.8 | V91 | V91-E93 HydrophobicContact CG1-CB 3.81Å; V91-E93 HydrophobicContact CG1-CG 3.64Å; V91-E93 PolarHBondContact O-N 3.27Å | ||
| 94 | G | 56 | Low | 62.9 | Low | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 159.4 | 161.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | M96 F97 D98 | G94-M96 PolarHBondContact O-N 3.01Å; G94-M96 VanDerWaalsContact O-N 3.1Å; G94-F97 CarbonylContact O-C 3.57Å; G94-F97 PolarHBondContact O-N 3.41Å; G94-D98 PolarHBondContact O-N 2.81Å |
| 95 | P | 58.8 | Low | 63.8 | Low | 101 Ų | 101 | 73.7 Ų | 73.7 | 66% | 0.656 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.9 | -174.3 | 25.6 | -35.1 | 0 | 0 | 0 | 113.8 | ||
| 96 | M | 57.2 | Low | 64.9 | Low | 42 Ų | 42 | 73 Ų | 73 | 21% | 0.207 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -23 | 173.9 | -61.7 | -160.7 | -73.6 | 0 | 0 | 113.5 | G94 F262 N266 Y270 | G94-M96 PolarHBondContact O-N 3.01Å; G94-M96 VanDerWaalsContact O-N 3.1Å; M96-F262 HydrophobicContact CG-CE1 4.06Å; M96-F262 HydrophobicContact SD-CE1 4.36Å; M96-N266 HydrophobicContact SD-CB 4.31Å; M96-Y270 WeakPolarHBondContact O-CE2 3.28Å |
| 97 | F | 63.6 | Low | 65.7 | Low | 34 Ų | 34 | 68.6 Ų | 68.6 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -109.8 | 11.1 | -179.7 | -56.6 | -66.8 | 0 | 0 | 0 | 112.5 | L92 G94 Y270 S273 M274 | L92-F97 HydrophobicContact CB-CB 4.06Å; L92-F97 HydrophobicContact CB-CG 4.22Å; L92-F97 HydrophobicContact CD2-CD1 3.97Å; L92-F97 HydrophobicContact CD2-CD2 4.43Å; L92-F97 HydrophobicContact CD2-CE1 4.11Å; L92-F97 HydrophobicContact CD2-CG 4.15Å; L92-F97 HydrophobicContact CD2-CZ 4.4Å; L92-F97 WeakPolarHBondContact O-CB 3.41Å; G94-F97 CarbonylContact O-C 3.57Å; G94-F97 PolarHBondContact O-N 3.41Å; F97-Y270 HydrophobicContact CD1-CD2 4.05Å; F97-Y270 AromaticContact CD1-CE2 3.59Å; F97-Y270 HydrophobicContact CD1-CE2 3.59Å; F97-Y270 AromaticContact CE1-CD2 3.68Å; F97-Y270 HydrophobicContact CE1-CD2 3.68Å; F97-Y270 AromaticContact CE1-CE2 3.65Å; F97-Y270 HydrophobicContact CE1-CE2 3.65Å; F97-Y270 HydrophobicContact CZ-CD2 4.47Å; F97-S273 VanDerWaalsContact CE1-OG 3.28Å; F97-S273 WeakPolarHBondContact CE1-OG 3.05Å; F97-S273 VanDerWaalsContact CZ-OG 3.26Å; F97-S273 WeakPolarHBondContact CZ-OG 3.26Å; F97-M274 HydrophobicContact CD1-CE 4.2Å; F97-M274 HydrophobicContact CD1-SD 4.44Å; F97-M274 HydrophobicContact CE1-CE 3.95Å; F97-M274 HydrophobicContact CE1-CG 4.18Å; F97-M274 HydrophobicContact CE1-SD 4.41Å |
| 98 | D | 67.9 | Low | 66.5 | Low | 62 Ų | 62 | 62.4 Ų | 62.4 | 33% | 0.332 | 34% | 0.34 | S | S | . | . | trans | -53.5 | 128.1 | 175.5 | -168.6 | -51.1 | 0 | 0 | 0 | 109.5 | G94 E100 V101 K102 | G94-D98 PolarHBondContact O-N 2.81Å; D98-E100 PolarHBondContact O-N 2.97Å; D98-E100 VanDerWaalsContact O-N 3.1Å; D98-E100 WeakPolarHBondContact OD1-CB 2.93Å; D98-E100 PolarHBondContact OD1-N 2.86Å; D98-V101 HydrophobicContact CB-CB 4.2Å; D98-V101 HydrophobicContact CB-CG2 4.1Å; D98-V101 PolarHBondContact O-N 2.92Å; D98-K102 WeakPolarHBondContact O-CB 2.91Å; D98-K102 PolarHBondContact O-N 3.43Å | ||
| 99 | P | 70.2 | Confident | 67.3 | Low | 109 Ų | 109 | 61.8 Ų | 61.8 | 71% | 0.708 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.6 | -179.1 | 24 | -35.3 | 0 | 0 | 0 | 113.9 | P103 | P99-P103 VanDerWaalsContact O-CD 3.32Å; P99-P103 WeakPolarHBondContact O-CD 2.92Å |
| 100 | E | 73.5 | Confident | 68.2 | Low | 170 Ų | 170 | 57.7 Ų | 57.7 | 79% | 0.794 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -32.1 | 175 | -59.9 | -169.9 | 171.7 | 0 | 0 | 112.5 | D98 | D98-E100 PolarHBondContact O-N 2.97Å; D98-E100 VanDerWaalsContact O-N 3.1Å; D98-E100 WeakPolarHBondContact OD1-CB 2.93Å; D98-E100 PolarHBondContact OD1-N 2.86Å |
| 101 | V | 73.8 | Confident | 69.1 | Low | 19 Ų | 19 | 57 Ų | 57 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -29.2 | -176.7 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | D98 L104 M105 F259 | D98-V101 HydrophobicContact CB-CB 4.2Å; D98-V101 HydrophobicContact CB-CG2 4.1Å; D98-V101 PolarHBondContact O-N 2.92Å; V101-L104 PolarHBondContact O-N 3.4Å; V101-L104 VanDerWaalsContact O-N 3.13Å; V101-M105 HydrophobicContact CG1-CG 3.82Å; V101-M105 PolarHBondContact O-N 3.39Å; V101-F259 HydrophobicContact CG1-CZ 4.23Å |
| 102 | K | 74.9 | Confident | 69.8 | Low | 57 Ų | 57 | 57.8 Ų | 57.8 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -46.3 | -52.5 | 178.5 | 172.1 | 149 | -175.1 | 54.4 | 0 | 114.9 | D98 L104 M105 D106 Y270 | D98-K102 WeakPolarHBondContact O-CB 2.91Å; D98-K102 PolarHBondContact O-N 3.43Å; K102-L104 PolarHBondContact O-N 2.9Å; K102-M105 PolarHBondContact O-N 2.99Å; K102-M105 VanDerWaalsContact O-N 3.16Å; K102-D106 WeakPolarHBondContact CE-OD2 3.35Å; K102-D106 VanDerWaalsContact CG-OD2 3.31Å; K102-D106 WeakPolarHBondContact CG-OD2 3.36Å; K102-D106 IonicContact NZ-OD1 2.77Å; K102-D106 PolarHBondContact NZ-OD1 3.1Å; K102-D106 IonicContact NZ-OD2 2.72Å; K102-D106 PolarHBondContact NZ-OD2 3.42Å; K102-D106 PolarHBondContact O-N 3.45Å; K102-Y270 WeakPolarHBondContact CG-OH 3.14Å; K102-Y270 PolarHBondContact NZ-OH 2.93Å |
| 103 | P | 76.3 | Confident | 70.1 | Confident | 72 Ų | 72 | 59 Ų | 59 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -31.7 | -176.8 | 23.6 | -34.3 | 0 | 0 | 0 | 113.1 | P99 Q107 | P99-P103 VanDerWaalsContact O-CD 3.32Å; P99-P103 WeakPolarHBondContact O-CD 2.92Å; P103-Q107 WeakPolarHBondContact O-CG 3.36Å; P103-Q107 PolarHBondContact O-N 3.39Å |
| 104 | L | 76.6 | Confident | 70.6 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -75 | -41.3 | 175.5 | 179.2 | 51.4 | 0 | 0 | 0 | 111.3 | V101 K102 D106 Q107 L108 F259 | V101-L104 PolarHBondContact O-N 3.4Å; V101-L104 VanDerWaalsContact O-N 3.13Å; K102-L104 PolarHBondContact O-N 2.9Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-D106 PolarHBondContact O-N 2.92Å; L104-Q107 PolarHBondContact O-N 2.87Å; L104-L108 HydrophobicContact CD1-CD1 3.9Å; L104-L108 HydrophobicContact CD1-CG 4.09Å; L104-L108 HydrophobicContact CG-CD1 3.91Å; L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.29Å; L104-F259 HydrophobicContact CD2-CE1 4.01Å; L104-F259 HydrophobicContact CD2-CE2 3.85Å; L104-F259 HydrophobicContact CD2-CZ 3.36Å; L104-F259 HydrophobicContact CG-CE1 4.42Å; L104-F259 HydrophobicContact CG-CZ 4.09Å |
| 105 | M | 75.5 | Confident | 70.6 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 172.7 | -67.5 | -67.3 | -69.8 | 0 | 0 | 112.1 | V101 K102 Q107 L108 T109 L267 Y270 | V101-M105 HydrophobicContact CG1-CG 3.82Å; V101-M105 PolarHBondContact O-N 3.39Å; K102-M105 PolarHBondContact O-N 2.99Å; K102-M105 VanDerWaalsContact O-N 3.16Å; M105-Q107 VanDerWaalsContact C-N 3.31Å; M105-Q107 PolarHBondContact O-N 2.91Å; M105-L108 PolarHBondContact O-N 3.43Å; M105-T109 WeakPolarHBondContact O-CB 3.33Å; M105-T109 WeakPolarHBondContact O-CG2 3.3Å; M105-T109 PolarHBondContact O-N 2.93Å; M105-T109 PolarHBondContact O-OG1 3.42Å; M105-L267 HydrophobicContact CE-CD2 3.69Å; M105-L267 HydrophobicContact SD-CD2 3.95Å; M105-Y270 HydrophobicContact CB-CD1 3.95Å; M105-Y270 HydrophobicContact CB-CD2 4.25Å; M105-Y270 HydrophobicContact CB-CE1 3.58Å; M105-Y270 HydrophobicContact CB-CE2 3.9Å; M105-Y270 HydrophobicContact CB-CG 4.27Å; M105-Y270 HydrophobicContact CE-CD1 4.18Å; M105-Y270 HydrophobicContact CE-CD2 3.78Å; M105-Y270 HydrophobicContact CE-CG 3.58Å; M105-Y270 HydrophobicContact CG-CE2 4.35Å |
| 106 | D | 77.7 | Confident | 70.2 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 175.5 | -72.3 | -34.8 | 0 | 0 | 0 | 111.6 | K102 L104 F110 C111 Y270 M278 | K102-D106 WeakPolarHBondContact CE-OD2 3.35Å; K102-D106 VanDerWaalsContact CG-OD2 3.31Å; K102-D106 WeakPolarHBondContact CG-OD2 3.36Å; K102-D106 IonicContact NZ-OD1 2.77Å; K102-D106 PolarHBondContact NZ-OD1 3.1Å; K102-D106 IonicContact NZ-OD2 2.72Å; K102-D106 PolarHBondContact NZ-OD2 3.42Å; K102-D106 PolarHBondContact O-N 3.45Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-D106 PolarHBondContact O-N 2.92Å; D106-F110 WeakPolarHBondContact O-CA 3.48Å; D106-F110 WeakPolarHBondContact O-CB 3.45Å; D106-F110 PolarHBondContact O-N 2.76Å; D106-C111 PolarHBondContact O-N 2.94Å; D106-Y270 PolarHBondContact OD1-OH 3.49Å; D106-M278 HydrophobicContact CB-CE 4.18Å |
| 107 | Q | 75.6 | Confident | 70.2 | Confident | 78 Ų | 78 | 65 Ų | 65 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.8 | -35.1 | 174.2 | -73.7 | 174.6 | -6.2 | 0 | 0 | 113.5 | P103 L104 M105 C111 A127 | P103-Q107 WeakPolarHBondContact O-CG 3.36Å; P103-Q107 PolarHBondContact O-N 3.39Å; L104-Q107 PolarHBondContact O-N 2.87Å; M105-Q107 VanDerWaalsContact C-N 3.31Å; M105-Q107 PolarHBondContact O-N 2.91Å; Q107-C111 WeakPolarHBondContact O-CB 3.24Å; Q107-A127 HydrophobicContact CB-CB 4.31Å; Q107-A127 PolarHBondContact O-N 3.13Å |
| 108 | L | 77.1 | Confident | 69.8 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -79.9 | -18.8 | -179.3 | -68.5 | 166.3 | 0 | 0 | 0 | 113.9 | L104 M105 S125 F132 W158 L267 | L104-L108 HydrophobicContact CD1-CD1 3.9Å; L104-L108 HydrophobicContact CD1-CG 4.09Å; L104-L108 HydrophobicContact CG-CD1 3.91Å; L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.29Å; M105-L108 PolarHBondContact O-N 3.43Å; L108-S125 CarbonylContact C-O 3.49Å; L108-F132 HydrophobicContact CD1-CE1 3.63Å; L108-F132 HydrophobicContact CD1-CZ 4.19Å; L108-F132 HydrophobicContact CD2-CD1 4.41Å; L108-F132 HydrophobicContact CD2-CE1 4.16Å; L108-W158 HydrophobicContact CD2-CZ2 4.47Å; L108-W158 WeakPolarHBondContact O-CZ2 3.38Å; L108-W158 PolarHBondContact O-NE1 2.74Å; L108-L267 HydrophobicContact CB-CD2 3.97Å |
| 109 | T | 77.1 | Confident | 69.4 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -115.6 | -30.5 | -176.8 | 57.7 | 0 | 0 | 0 | 0 | 114.9 | M105 S125 L267 Y270 Y271 | M105-T109 WeakPolarHBondContact O-CB 3.33Å; M105-T109 WeakPolarHBondContact O-CG2 3.3Å; M105-T109 PolarHBondContact O-N 2.93Å; M105-T109 PolarHBondContact O-OG1 3.42Å; T109-S125 CarbonylContact C-O 3.58Å; T109-S125 WeakPolarHBondContact CA-O 3.31Å; T109-S125 PolarHBondContact N-O 2.84Å; T109-S125 PolarHBondContact O-N 2.87Å; T109-S125 VanDerWaalsContact O-N 3.08Å; T109-L267 HydrophobicContact CG2-CB 3.98Å; T109-L267 HydrophobicContact CG2-CD2 3.53Å; T109-L267 HydrophobicContact CG2-CG 4.35Å; T109-L267 WeakPolarHBondContact CG2-O 3.4Å; T109-Y270 HydrophobicContact CG2-CD1 4.01Å; T109-Y271 WeakPolarHBondContact O-CD2 3.48Å |
| 110 | F | 77.1 | Confident | 68.9 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -127.8 | 9.4 | -172.3 | -58.3 | -70.6 | 0 | 0 | 0 | 114.7 | D106 K112 P121 S125 Y270 Y271 M274 F275 M278 Y279 | D106-F110 WeakPolarHBondContact O-CA 3.48Å; D106-F110 WeakPolarHBondContact O-CB 3.45Å; D106-F110 PolarHBondContact O-N 2.76Å; F110-K112 PolarHBondContact O-N 3.48Å; F110-P121 HydrophobicContact CD1-CG 4.39Å; F110-S125 WeakPolarHBondContact CA-OG 3.45Å; F110-S125 PolarHBondContact N-O 2.76Å; F110-Y270 HydrophobicContact CE2-CD1 4.25Å; F110-Y270 HydrophobicContact CE2-CE1 4.06Å; F110-Y271 AromaticContact CD1-CD2 3.6Å; F110-Y271 HydrophobicContact CD1-CD2 3.6Å; F110-Y271 AromaticContact CD1-CE2 3.67Å; F110-Y271 HydrophobicContact CD1-CE2 3.67Å; F110-Y271 AromaticContact CE1-CD2 3.25Å; F110-Y271 HydrophobicContact CE1-CD2 3.25Å; F110-Y271 AromaticContact CE1-CE2 3.53Å; F110-Y271 HydrophobicContact CE1-CE2 3.53Å; F110-Y271 AromaticContact CE1-CG 3.85Å; F110-Y271 HydrophobicContact CE1-CG 3.85Å; F110-Y271 AromaticContact CZ-CD2 3.97Å; F110-Y271 HydrophobicContact CZ-CD2 3.97Å; F110-Y271 HydrophobicContact CZ-CG 4.23Å; F110-Y271 WeakPolarHBondContact CZ-O 3.17Å; F110-M274 HydrophobicContact CE2-CB 3.54Å; F110-M274 HydrophobicContact CE2-CG 4.44Å; F110-M274 HydrophobicContact CZ-CB 3.56Å; F110-F275 HydrophobicContact CE1-CB 3.96Å; F110-F275 HydrophobicContact CE1-CD2 4.07Å; F110-F275 HydrophobicContact CZ-CB 4.26Å; F110-M278 HydrophobicContact CB-CE 3.8Å; F110-M278 HydrophobicContact CD2-CE 3.34Å; F110-M278 HydrophobicContact CD2-CG 4.35Å; F110-M278 HydrophobicContact CE2-CE 3.98Å; F110-M278 HydrophobicContact CE2-CG 4.09Å; F110-M278 HydrophobicContact CG-CE 3.7Å; F110-M278 HydrophobicContact CZ-CG 4.34Å; F110-Y279 AromaticContact CD1-CE2 3.9Å; F110-Y279 HydrophobicContact CD1-CE2 3.9Å; F110-Y279 HydrophobicContact CE1-CE2 4.35Å |
| 111 | C | 77.7 | Confident | 68.5 | Low | 16 Ų | 16 | 55.8 Ų | 55.8 | 11% | 0.108 | 31% | 0.312 | C | S | . | . | trans | -15.9 | 113.3 | -173 | -174.1 | 0 | 0 | 0 | 0 | 114.7 | D106 Q107 S125 A127 C155 | D106-C111 PolarHBondContact O-N 2.94Å; Q107-C111 WeakPolarHBondContact O-CB 3.24Å; C111-S125 PolarHBondContact N-OG 3.02Å; C111-A127 HydrophobicContact CB-CB 4.34Å; C111-A127 WeakPolarHBondContact SG-CA 3.48Å; C111-C155 HydrophobicContact CB-CB 3.73Å; C111-C155 WeakPolarHBondContact CB-SG 3.48Å; C111-C155 PolarHBondContact O-SG 3.49Å; C111-C155 WeakPolarHBondContact SG-CA 3.36Å; C111-C155 WeakPolarHBondContact SG-CB 3.21Å; C111-C155 CovalentContact SG-SG 2.03Å; C111-C155 PolarHBondContact SG-SG 3.48Å | ||
| 112 | K | 72.6 | Confident | 67.9 | Low | 103 Ų | 103 | 61 Ų | 61 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | trans | -102 | 120.2 | -179.4 | -62.7 | -175.7 | 178 | -178.3 | 0 | 109.6 | F110 Y279 | F110-K112 PolarHBondContact O-N 3.48Å; K112-Y279 VanDerWaalsContact CE-OH 3.26Å; K112-Y279 WeakPolarHBondContact CE-OH 3.39Å | ||
| 113 | E | 64.4 | Low | 67.5 | Low | 84 Ų | 84 | 59.1 Ų | 59.1 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -70.1 | -46.6 | 176.6 | -61.5 | -147.4 | 119.6 | 0 | 0 | 111.4 | S153 R154 C155 | E113-S153 VanDerWaalsContact OE1-C 3.3Å; E113-S153 WeakPolarHBondContact OE1-CA 3.08Å; E113-S153 WeakPolarHBondContact OE1-CB 3.5Å; E113-R154 PolarHBondContact OE1-N 3.1Å; E113-C155 HydrophobicContact CG-CB 3.9Å; E113-C155 VanDerWaalsContact CG-SG 3.53Å; E113-C155 PolarHBondContact OE1-N 3.17Å |
| 114 | N | 59.5 | Low | 67.4 | Low | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | trans | -127.5 | 144.9 | 170.1 | -52.4 | -76.6 | 0 | 0 | 0 | 110.6 | T116 D117 | N114-T116 WeakPolarHBondContact CB-OG1 3.26Å; N114-T116 PolarHBondContact O-N 3.25Å; N114-D117 HydrophobicContact CB-CB 4.42Å; N114-D117 WeakPolarHBondContact CB-OD2 3.02Å; N114-D117 PolarHBondContact ND2-OD2 2.86Å; N114-D117 PolarHBondContact O-N 3.45Å; N114-D117 VanDerWaalsContact O-N 3.11Å | ||
| 115 | E | 55.4 | Low | 67.4 | Low | 199 Ų | 199 | 54.7 Ų | 54.7 | 93% | 0.93 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.5 | 172.6 | -63.6 | -172.1 | 149 | 0 | 0 | 112.9 | ||
| 116 | T | 51.4 | Low | 67.7 | Low | 122 Ų | 122 | 54.7 Ų | 54.7 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.4 | 177.5 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | N114 G118 | N114-T116 WeakPolarHBondContact CB-OG1 3.26Å; N114-T116 PolarHBondContact O-N 3.25Å; T116-G118 PolarHBondContact O-N 3.36Å |
| 117 | D | 56 | Low | 67.8 | Low | 65 Ų | 65 | 53.5 Ų | 53.5 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | trans | -79.7 | 89.3 | -177.5 | -67.5 | -17.9 | 0 | 0 | 0 | 109.3 | N114 S119 | N114-D117 HydrophobicContact CB-CB 4.42Å; N114-D117 WeakPolarHBondContact CB-OD2 3.02Å; N114-D117 PolarHBondContact ND2-OD2 2.86Å; N114-D117 PolarHBondContact O-N 3.45Å; N114-D117 VanDerWaalsContact O-N 3.11Å; D117-S119 PolarHBondContact O-N 2.65Å | ||
| 118 | G | 54.9 | Low | 67.8 | Low | 64 Ų | 64 | 51.2 Ų | 51.2 | 66% | 0.66 | 30% | 0.302 | S | S | * | . | trans | -67.3 | 10.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T116 V120 | T116-G118 PolarHBondContact O-N 3.36Å; G118-V120 PolarHBondContact O-N 3.36Å | ||
| 119 | S | 59.6 | Low | 67.5 | Low | 82 Ų | 82 | 57.3 Ų | 57.3 | 57% | 0.573 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 117 | 166.1 | 53 | 0 | 0 | 0 | 0 | 109 | D117 | D117-S119 PolarHBondContact O-N 2.65Š|
| 120 | V | 60 | Low | 67.1 | Low | 12 Ų | 12 | 63.3 Ų | 63.3 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 137.4 | 172.3 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | G118 F275 Y279 Y282 | G118-V120 PolarHBondContact O-N 3.36Å; V120-F275 HydrophobicContact CG1-CD2 4.46Å; V120-F275 HydrophobicContact CG1-CE2 3.32Å; V120-F275 HydrophobicContact CG1-CZ 3.39Å; V120-Y279 HydrophobicContact CB-CD1 4.38Å; V120-Y279 HydrophobicContact CB-CG 4.35Å; V120-Y279 HydrophobicContact CG1-CD2 4.08Å; V120-Y279 HydrophobicContact CG1-CG 4.08Å; V120-Y279 HydrophobicContact CG2-CD1 3.48Å; V120-Y279 VanDerWaalsContact CG2-CD1 3.48Å; V120-Y279 HydrophobicContact CG2-CD2 4.37Å; V120-Y279 HydrophobicContact CG2-CE1 4.13Å; V120-Y279 HydrophobicContact CG2-CG 3.58Å; V120-Y282 HydrophobicContact CB-CD1 3.58Å; V120-Y282 HydrophobicContact CB-CD2 3.78Å; V120-Y282 HydrophobicContact CB-CE1 3.62Å; V120-Y282 HydrophobicContact CB-CE2 3.78Å; V120-Y282 HydrophobicContact CB-CG 3.66Å; V120-Y282 HydrophobicContact CG1-CD1 3.81Å; V120-Y282 HydrophobicContact CG1-CE1 3.98Å; V120-Y282 HydrophobicContact CG1-CG 4.24Å; V120-Y282 VanDerWaalsContact CG2-CB 3.44Å; V120-Y282 HydrophobicContact CG2-CD1 3.61Å; V120-Y282 HydrophobicContact CG2-CD2 3.28Å; V120-Y282 HydrophobicContact CG2-CE1 4.11Å; V120-Y282 HydrophobicContact CG2-CE2 3.79Å; V120-Y282 HydrophobicContact CG2-CG 3.15Å |
| 121 | P | 65.8 | Low | 66.7 | Low | 24 Ų | 24 | 64.8 Ų | 64.8 | 16% | 0.156 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 133.8 | 178 | 31.1 | -35.9 | 0 | 0 | 0 | 110 | F110 G123 Y271 Y279 | F110-P121 HydrophobicContact CD1-CG 4.39Å; P121-G123 WeakPolarHBondContact CB-O 3.44Å; P121-G123 PolarHBondContact O-N 2.65Å; P121-Y271 HydrophobicContact CG-CE2 4.47Å; P121-Y271 PolarHBondContact O-OH 2.88Å; P121-Y279 VanDerWaalsContact CD-CZ 3.43Å; P121-Y279 WeakPolarHBondContact CD-OH 3.4Å; P121-Y279 HydrophobicContact CG-CE2 4.07Å |
| 122 | D | 61.3 | Low | 66.6 | Low | 128 Ų | 128 | 65.4 Ų | 65.4 | 68% | 0.684 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -67.9 | -10.9 | 179.5 | -64.5 | -41.2 | 0 | 0 | 0 | 113.2 | K56 | K56-D122 WeakPolarHBondContact CB-O 3.43Š|
| 123 | G | 66.5 | Low | 67 | Low | 18 Ų | 18 | 62.6 Ų | 62.6 | 19% | 0.186 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -164.9 | -164.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P121 S125 Y271 | P121-G123 WeakPolarHBondContact CB-O 3.44Å; P121-G123 PolarHBondContact O-N 2.65Å; G123-S125 PolarHBondContact O-N 3.13Å; G123-Y271 VanDerWaalsContact O-CE2 3.31Å; G123-Y271 WeakPolarHBondContact O-CE2 3.31Å; G123-Y271 PolarHBondContact O-OH 2.67Å |
| 124 | L | 73.4 | Confident | 67.7 | Low | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | trans | -71.4 | 126.8 | 174.1 | -80.6 | 70.9 | 0 | 0 | 0 | 110.1 | M264 L267 F268 Y271 | L124-M264 HydrophobicContact CD2-CE 4.09Å; L124-L267 HydrophobicContact CD2-CB 4.3Å; L124-F268 HydrophobicContact CD1-CD2 3.65Å; L124-F268 HydrophobicContact CD1-CE2 4.14Å; L124-F268 HydrophobicContact CD2-CB 4.44Å; L124-F268 HydrophobicContact CD2-CD2 4.46Å; L124-Y271 HydrophobicContact CB-CD2 4.43Å; L124-Y271 HydrophobicContact CD1-CD1 3.79Å; L124-Y271 HydrophobicContact CD1-CD2 3.69Å; L124-Y271 HydrophobicContact CD1-CE1 4.26Å; L124-Y271 HydrophobicContact CD1-CE2 4.13Å; L124-Y271 HydrophobicContact CD1-CG 3.48Å; L124-Y271 VanDerWaalsContact CD1-CG 3.48Å; L124-Y271 HydrophobicContact CG-CD2 3.65Å; L124-Y271 HydrophobicContact CG-CE2 4.3Å; L124-Y271 HydrophobicContact CG-CG 3.79Å | ||
| 125 | S | 77.7 | Confident | 68.7 | Low | 15 Ų | 15 | 55.8 Ų | 55.8 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.6 | 175.3 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | L108 T109 F110 C111 G123 G156 | L108-S125 CarbonylContact C-O 3.49Å; T109-S125 CarbonylContact C-O 3.58Å; T109-S125 WeakPolarHBondContact CA-O 3.31Å; T109-S125 PolarHBondContact N-O 2.84Å; T109-S125 PolarHBondContact O-N 2.87Å; T109-S125 VanDerWaalsContact O-N 3.08Å; F110-S125 WeakPolarHBondContact CA-OG 3.45Å; F110-S125 PolarHBondContact N-O 2.76Å; C111-S125 PolarHBondContact N-OG 3.02Å; G123-S125 PolarHBondContact O-N 3.13Å; S125-G156 WeakPolarHBondContact CA-O 3.03Å |
| 126 | C | 80.6 | Confident | 69.6 | Low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.8 | -175.5 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | C146 C155 G156 W158 | C126-C146 HydrophobicContact CB-CB 3.71Å; C126-C146 WeakPolarHBondContact CB-SG 3.37Å; C126-C146 WeakPolarHBondContact SG-CA 2.95Å; C126-C146 WeakPolarHBondContact SG-CB 3.4Å; C126-C146 CovalentContact SG-SG 2.02Å; C126-C146 PolarHBondContact SG-SG 3.14Å; C126-C155 CarbonylContact O-C 3.37Å; C126-C155 VanDerWaalsContact O-CA 3.29Å; C126-C155 WeakPolarHBondContact O-CA 3.39Å; C126-G156 PolarHBondContact N-O 3.28Å; C126-G156 PolarHBondContact O-N 3.01Å; C126-G156 PolarHBondContact SG-O 3.04Å; C126-W158 HydrophobicContact CB-CD2 3.94Å; C126-W158 VanDerWaalsContact CB-CE2 3.48Å; C126-W158 HydrophobicContact CB-CE3 4.49Å; C126-W158 HydrophobicContact CB-CG 4.36Å; C126-W158 HydrophobicContact CB-CH2 4.26Å; C126-W158 HydrophobicContact CB-CZ2 3.68Å |
| 127 | A | 80.8 | Confident | 70.3 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 113.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q107 C111 E129 Y130 S131 | Q107-A127 HydrophobicContact CB-CB 4.31Å; Q107-A127 PolarHBondContact O-N 3.13Å; C111-A127 HydrophobicContact CB-CB 4.34Å; C111-A127 WeakPolarHBondContact SG-CA 3.48Å; A127-E129 PolarHBondContact O-N 3.05Å; A127-E129 VanDerWaalsContact O-N 3.14Å; A127-Y130 HydrophobicContact CB-CD2 4.06Å; A127-Y130 CarbonylContact O-C 3.56Å; A127-Y130 PolarHBondContact O-N 2.82Å; A127-S131 WeakPolarHBondContact O-CB 3.03Å; A127-S131 PolarHBondContact O-N 3.37Å; A127-S131 PolarHBondContact O-OG 3.4Å |
| 128 | G | 75.6 | Confident | 70.9 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y130 S131 R154 | G128-Y130 VanDerWaalsContact C-N 3.32Å; G128-S131 PolarHBondContact O-OG 2.88Å; G128-R154 PolarHBondContact N-O 3.27Å |
| 129 | E | 70.5 | Confident | 71.6 | Confident | 127 Ų | 127 | 47.7 Ų | 47.7 | 59% | 0.593 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -20.3 | 175.2 | -65.2 | 178.6 | -161.1 | 0 | 0 | 113.3 | A127 R154 | A127-E129 PolarHBondContact O-N 3.05Å; A127-E129 VanDerWaalsContact O-N 3.14Å; E129-R154 IonicContact OE1-NE 3.91Å |
| 130 | Y | 68.6 | Low | 72.4 | Confident | 127 Ų | 127 | 48.8 Ų | 48.8 | 50% | 0.498 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -7.3 | -171.9 | -57.7 | -64.1 | 0 | 0 | 0 | 114.2 | A127 G128 F132 | A127-Y130 HydrophobicContact CB-CD2 4.06Å; A127-Y130 CarbonylContact O-C 3.56Å; A127-Y130 PolarHBondContact O-N 2.82Å; G128-Y130 VanDerWaalsContact C-N 3.32Å; Y130-F132 PolarHBondContact O-N 2.81Å |
| 131 | S | 68.6 | Low | 73.4 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | trans | -72.6 | 105.6 | 179.9 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | A127 G128 C146 | A127-S131 WeakPolarHBondContact O-CB 3.03Å; A127-S131 PolarHBondContact O-N 3.37Å; A127-S131 PolarHBondContact O-OG 3.4Å; G128-S131 PolarHBondContact O-OG 2.88Å; S131-C146 WeakPolarHBondContact OG-CB 3.48Å | ||
| 132 | F | 75.8 | Confident | 74.1 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 156.4 | 158.3 | 57.1 | -87.4 | 0 | 0 | 0 | 110.1 | L108 Y130 V134 F259 | L108-F132 HydrophobicContact CD1-CE1 3.63Å; L108-F132 HydrophobicContact CD1-CZ 4.19Å; L108-F132 HydrophobicContact CD2-CD1 4.41Å; L108-F132 HydrophobicContact CD2-CE1 4.16Å; Y130-F132 PolarHBondContact O-N 2.81Å; F132-V134 HydrophobicContact CD2-CG2 4.04Å; F132-V134 HydrophobicContact CE2-CG2 3.82Å; F132-V134 PolarHBondContact O-N 2.94Å; F132-F259 AromaticContact CE1-CD1 3.76Å; F132-F259 HydrophobicContact CE1-CD1 3.76Å; F132-F259 HydrophobicContact CE1-CE1 4.26Å; F132-F259 AromaticContact CZ-CD1 3.73Å; F132-F259 HydrophobicContact CZ-CD1 3.73Å; F132-F259 HydrophobicContact CZ-CE1 4.43Å |
| 133 | Q | 81.1 | Confident | 75.2 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 125.1 | 169.5 | -68.1 | 166.8 | 61.9 | 0 | 0 | 109.1 | F143 Y144 F169 Q174 | Q133-F143 HydrophobicContact CB-CD2 4Å; Q133-F143 HydrophobicContact CG-CD2 4.03Å; Q133-F143 HydrophobicContact CG-CE2 4.13Å; Q133-Y144 WeakPolarHBondContact CA-O 3.35Å; Q133-F169 HydrophobicContact CB-CE2 3.89Å; Q133-F169 HydrophobicContact CB-CZ 3.52Å; Q133-F169 VanDerWaalsContact OE1-CE2 3.32Å; Q133-Q174 PolarHBondContact NE2-O 2.87Å; Q133-Q174 PolarHBondContact O-NE2 3.27Å; Q133-Q174 VanDerWaalsContact O-NE2 3.15Å; Q133-Q174 PolarHBondContact OE1-O 3.05Å |
| 134 | V | 79.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.6 | -172.6 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | F132 F143 Y144 W158 F262 M264 L267 | F132-V134 HydrophobicContact CD2-CG2 4.04Å; F132-V134 HydrophobicContact CE2-CG2 3.82Å; F132-V134 PolarHBondContact O-N 2.94Å; V134-F143 CarbonylContact O-C 3.56Å; V134-F143 VanDerWaalsContact O-CA 3.23Å; V134-F143 WeakPolarHBondContact O-CA 3.01Å; V134-Y144 PolarHBondContact N-O 3.12Å; V134-Y144 PolarHBondContact O-N 2.79Å; V134-W158 HydrophobicContact CB-CZ3 4.44Å; V134-W158 HydrophobicContact CG2-CH2 3.39Å; V134-W158 HydrophobicContact CG2-CZ2 4.17Å; V134-W158 HydrophobicContact CG2-CZ3 3.6Å; V134-F262 WeakPolarHBondContact CG1-O 3.13Å; V134-M264 HydrophobicContact CB-CG 3.96Å; V134-M264 HydrophobicContact CB-SD 3.89Å; V134-M264 HydrophobicContact CG1-CB 4.31Å; V134-M264 HydrophobicContact CG1-CG 3.67Å; V134-M264 VanDerWaalsContact CG1-N 3.33Å; V134-M264 HydrophobicContact CG1-SD 3.81Å; V134-M264 HydrophobicContact CG2-SD 4.11Å; V134-L267 HydrophobicContact CB-CD1 4.49Å; V134-L267 HydrophobicContact CG1-CD1 3.97Å; V134-L267 HydrophobicContact CG2-CD1 3.79Å |
| 135 | P | 78.8 | Confident | 76.4 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 147 | 175.7 | 27.2 | -33.2 | 0 | 0 | 0 | 111.4 | G137 F169 I171 G263 M264 | P135-G137 PolarHBondContact O-N 2.79Å; P135-F169 HydrophobicContact CB-CD1 3.94Å; P135-F169 HydrophobicContact CB-CE1 4.21Å; P135-I171 HydrophobicContact CG-CD1 3.97Å; P135-G263 WeakPolarHBondContact O-CA 3.31Å; P135-M264 PolarHBondContact O-N 2.01Å; P135-M264 VanDerWaalsContact O-N 3.1Å |
| 136 | D | 75.1 | Confident | 76.7 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 120.5 | 159.8 | -166.6 | -25.5 | 0 | 0 | 0 | 108.8 | E138 N139 R142 Y144 Q265 | D136-E138 PolarHBondContact O-N 3.45Å; D136-E138 PolarHBondContact OD1-N 3.37Å; D136-N139 CarbonylContact O-C 3.56Å; D136-N139 PolarHBondContact O-N 3.11Å; D136-R142 HydrophobicContact CB-CB 3.6Å; D136-R142 WeakPolarHBondContact CB-O 3.49Å; D136-R142 PolarHBondContact N-O 2.96Å; D136-Y144 HydrophobicContact CB-CE2 3.88Å; D136-Q265 PolarHBondContact OD1-NE2 2.92Å |
| 137 | G | 66.9 | Low | 76.8 | Confident | 60 Ų | 60 | 57.1 Ų | 57.1 | 62% | 0.619 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -67.5 | -14.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P135 Q265 | P135-G137 PolarHBondContact O-N 2.79Å; G137-Q265 VanDerWaalsContact CA-OE1 3.29Å |
| 138 | E | 67.2 | Low | 76.9 | Confident | 164 Ų | 164 | 60.3 Ų | 60.3 | 77% | 0.766 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -96.9 | -29.5 | 176.4 | -71.1 | 174.6 | -158.8 | 0 | 0 | 112.7 | D136 | D136-E138 PolarHBondContact O-N 3.45Å; D136-E138 PolarHBondContact OD1-N 3.37Å |
| 139 | N | 71 | Confident | 76.7 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | trans | -136.8 | 107.9 | -175.8 | -171.6 | -24.4 | 0 | 0 | 0 | 112.3 | D136 Q141 R142 | D136-N139 CarbonylContact O-C 3.56Å; D136-N139 PolarHBondContact O-N 3.11Å; N139-Q141 PolarHBondContact O-N 3.41Å; N139-Q141 WeakPolarHBondContact OD1-CB 3.44Å; N139-Q141 PolarHBondContact OD1-N 3.39Å; N139-R142 HydrophobicContact CB-CB 4.2Å; N139-R142 HydrophobicContact CB-CG 4.1Å; N139-R142 WeakPolarHBondContact O-CB 3.38Å; N139-R142 PolarHBondContact O-N 3.46Å | ||
| 140 | I | 76 | Confident | 76.9 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 54% | 0.538 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.5 | -179.4 | 69.3 | -177.9 | 0 | 0 | 0 | 115.1 | I168 F169 | I140-I168 HydrophobicContact CB-CG2 4.07Å; I140-I168 HydrophobicContact CD1-CD1 3.76Å; I140-I168 HydrophobicContact CD1-CG1 3.92Å; I140-I168 HydrophobicContact CD1-CG2 4.31Å; I140-I168 HydrophobicContact CG1-CG1 4.21Å; I140-I168 HydrophobicContact CG1-CG2 4.26Å; I140-F169 PolarHBondContact O-N 2.83Å |
| 141 | Q | 80.9 | Confident | 77.1 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -2.5 | 173.5 | -50.3 | -166.1 | -69.5 | 0 | 0 | 112.7 | N139 C163 H167 | N139-Q141 PolarHBondContact O-N 3.41Å; N139-Q141 WeakPolarHBondContact OD1-CB 3.44Å; N139-Q141 PolarHBondContact OD1-N 3.39Å; Q141-C163 WeakPolarHBondContact O-CB 3.46Å; Q141-C163 PolarHBondContact O-N 3.43Å; Q141-H167 PolarHBondContact NE2-O 2.79Å |
| 142 | R | 80.5 | Confident | 77.3 | Confident | 98 Ų | 98 | 72 Ų | 72 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.1 | -177.7 | -71.3 | -177.2 | -173.5 | 170.5 | 0.5 | 110.1 | D136 N139 L160 M161 I162 | D136-R142 HydrophobicContact CB-CB 3.6Å; D136-R142 WeakPolarHBondContact CB-O 3.49Å; D136-R142 PolarHBondContact N-O 2.96Å; N139-R142 HydrophobicContact CB-CB 4.2Å; N139-R142 HydrophobicContact CB-CG 4.1Å; N139-R142 WeakPolarHBondContact O-CB 3.38Å; N139-R142 PolarHBondContact O-N 3.46Å; R142-L160 HydrophobicContact CB-CD1 3.91Å; R142-L160 HydrophobicContact CG-CD1 4.25Å; R142-M161 WeakPolarHBondContact CA-O 3.29Å; R142-I162 HydrophobicContact CG-CG1 4.46Å |
| 143 | F | 83.8 | Confident | 77.3 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 159.3 | 175.1 | 67.2 | -82.8 | 0 | 0 | 0 | 109.4 | Q133 V134 Q145 M161 F169 C176 | Q133-F143 HydrophobicContact CB-CD2 4Å; Q133-F143 HydrophobicContact CG-CD2 4.03Å; Q133-F143 HydrophobicContact CG-CE2 4.13Å; V134-F143 CarbonylContact O-C 3.56Å; V134-F143 VanDerWaalsContact O-CA 3.23Å; V134-F143 WeakPolarHBondContact O-CA 3.01Å; F143-Q145 HydrophobicContact CE2-CB 4.45Å; F143-M161 HydrophobicContact CD1-CB 3.94Å; F143-M161 HydrophobicContact CD2-CB 3.83Å; F143-M161 HydrophobicContact CD2-CG 4.35Å; F143-M161 HydrophobicContact CE1-CB 3.52Å; F143-M161 HydrophobicContact CE2-CB 3.42Å; F143-M161 VanDerWaalsContact CE2-CB 3.42Å; F143-M161 HydrophobicContact CE2-CG 3.77Å; F143-M161 HydrophobicContact CG-CB 4.09Å; F143-M161 HydrophobicContact CZ-CB 3.27Å; F143-M161 HydrophobicContact CZ-CG 3.95Å; F143-M161 PolarHBondContact N-O 3.18Å; F143-M161 WeakPolarHBondContact O-CA 3.48Å; F143-M161 WeakPolarHBondContact O-CB 3.05Å; F143-M161 PolarHBondContact O-N 2.84Å; F143-M161 VanDerWaalsContact O-O 3.09Å; F143-F169 HydrophobicContact CB-CB 4.21Å; F143-F169 HydrophobicContact CB-CD1 3.73Å; F143-F169 HydrophobicContact CB-CD2 3.75Å; F143-F169 HydrophobicContact CB-CE1 4.03Å; F143-F169 HydrophobicContact CB-CE2 4.07Å; F143-F169 HydrophobicContact CB-CG 3.59Å; F143-F169 HydrophobicContact CB-CZ 4.2Å; F143-F169 HydrophobicContact CD1-CB 4.27Å; F143-F169 AromaticContact CD1-CD2 3.76Å; F143-F169 HydrophobicContact CD1-CD2 3.76Å; F143-F169 HydrophobicContact CD1-CE2 4.45Å; F143-F169 HydrophobicContact CD1-CG 4.1Å; F143-F169 HydrophobicContact CD2-CD2 4.26Å; F143-F169 HydrophobicContact CD2-CE2 4.15Å; F143-F169 HydrophobicContact CE1-CD2 4.41Å; F143-F169 AromaticContact CG-CD2 3.66Å; F143-F169 HydrophobicContact CG-CD2 3.66Å; F143-F169 AromaticContact CG-CE2 3.98Å; F143-F169 HydrophobicContact CG-CE2 3.98Å; F143-F169 AromaticContact CG-CG 3.99Å; F143-F169 HydrophobicContact CG-CG 3.99Å; F143-C176 WeakPolarHBondContact CE1-SG 3.42Å |
| 144 | Y | 82.1 | Confident | 77.1 | Confident | 31 Ų | 31 | 76.7 Ų | 76.7 | 12% | 0.122 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.8 | -179.6 | -66.4 | -109.8 | 0 | 0 | 0 | 108.8 | P58 Q133 V134 D136 H159 L160 M264 | P58-Y144 HydrophobicContact CG-CE1 4.44Å; Q133-Y144 WeakPolarHBondContact CA-O 3.35Å; V134-Y144 PolarHBondContact N-O 3.12Å; V134-Y144 PolarHBondContact O-N 2.79Å; D136-Y144 HydrophobicContact CB-CE2 3.88Å; Y144-H159 WeakPolarHBondContact CA-O 3.36Å; Y144-L160 HydrophobicContact CD1-CB 4.25Å; Y144-L160 HydrophobicContact CD1-CD1 4.38Å; Y144-L160 HydrophobicContact CD2-CD1 4.06Å; Y144-L160 HydrophobicContact CE1-CB 4.02Å; Y144-L160 HydrophobicContact CE1-CD1 4.03Å; Y144-L160 HydrophobicContact CE2-CD1 3.69Å; Y144-L160 HydrophobicContact CG-CD1 4.41Å; Y144-M264 HydrophobicContact CD1-CE 4.11Å; Y144-M264 HydrophobicContact CD1-CG 3.95Å; Y144-M264 HydrophobicContact CD2-CB 3.98Å; Y144-M264 HydrophobicContact CD2-CG 3.2Å; Y144-M264 HydrophobicContact CE1-CG 4.32Å; Y144-M264 HydrophobicContact CE2-CB 3.92Å; Y144-M264 HydrophobicContact CE2-CG 3.64Å; Y144-M264 HydrophobicContact CG-CB 4.46Å; Y144-M264 HydrophobicContact CG-CE 4.31Å; Y144-M264 HydrophobicContact CG-CG 3.36Å; Y144-M264 HydrophobicContact CG-SD 4.2Å |
| 145 | Q | 83.5 | Confident | 77.2 | Confident | 79 Ų | 79 | 77.5 Ų | 77.5 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 147.4 | 177.6 | -176.7 | 168.8 | -2.4 | 0 | 0 | 109.2 | F143 H159 M161 | F143-Q145 HydrophobicContact CE2-CB 4.45Å; Q145-H159 PolarHBondContact N-O 3.14Å; Q145-H159 PolarHBondContact O-N 2.88Å; Q145-M161 HydrophobicContact CB-CG 3.96Å |
| 146 | C | 84.2 | Confident | 77.3 | Confident | 17 Ų | 17 | 76.3 Ų | 76.3 | 12% | 0.115 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 119.7 | 171.8 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | C126 S131 | C126-C146 HydrophobicContact CB-CB 3.71Å; C126-C146 WeakPolarHBondContact CB-SG 3.37Å; C126-C146 WeakPolarHBondContact SG-CA 2.95Å; C126-C146 WeakPolarHBondContact SG-CB 3.4Å; C126-C146 CovalentContact SG-SG 2.02Å; C126-C146 PolarHBondContact SG-SG 3.14Å; S131-C146 WeakPolarHBondContact OG-CB 3.48Å |
| 147 | E | 82.4 | Confident | 77.5 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.5 | 169.3 | -76 | -173.3 | -143.5 | 0 | 0 | 109.8 | G156 E157 H159 | E147-G156 CarbonylContact O-C 3.55Å; E147-G156 WeakPolarHBondContact O-CA 3.46Å; E147-E157 PolarHBondContact N-O 2.95Å; E147-E157 PolarHBondContact O-N 3.19Å; E147-H159 HydrophobicContact CB-CB 4.48Å; E147-H159 HydrophobicContact CG-CB 4.09Å; E147-H159 IonicContact OE1-CE1 2.81Å; E147-H159 IonicContact OE1-CG 3.56Å; E147-H159 IonicContact OE1-ND1 3.93Å; E147-H159 PolarHBondContact OE1-ND1 3.28Å; E147-H159 IonicContact OE2-CE1 3.77Å; E147-H159 PolarHBondContact OE2-CE1 3.24Å; E147-H159 VanDerWaalsContact OE2-CE1 3.27Å; E147-H159 IonicContact OE2-ND1 3.27Å; E147-H159 PolarHBondContact OE2-ND1 2.9Å |
| 148 | L | 81.9 | Confident | 78.2 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 40% | 0.398 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.6 | 178 | -68.8 | 178.2 | 0 | 0 | 0 | 110.3 | N150 S153 | L148-N150 PolarHBondContact O-N 3.31Å; L148-S153 WeakPolarHBondContact CD2-O 3.27Å |
| 149 | R | 72.5 | Confident | 78.8 | Confident | 193 Ų | 193 | 71 Ų | 71 | 73% | 0.728 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -64 | -29.5 | -178.4 | -162.8 | 176 | -169.2 | -172.4 | 10.5 | 113 | ||
| 150 | N | 75 | Confident | 79.2 | Confident | 107 Ų | 107 | 70 Ų | 70 | 57% | 0.572 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -137.6 | 157 | 170.5 | -68.8 | -66.6 | 0 | 0 | 0 | 109.8 | L148 N152 S153 | L148-N150 PolarHBondContact O-N 3.31Å; N150-N152 PolarHBondContact O-N 2.98Å; N150-S153 PolarHBondContact N-OG 3.44Å; N150-S153 PolarHBondContact O-N 3.15Å; N150-S153 PolarHBondContact O-OG 2.95Å |
| 151 | S | 72.9 | Confident | 79.4 | Confident | 113 Ų | 113 | 67.7 Ų | 67.7 | 79% | 0.79 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.2 | 171.4 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 152 | N | 71.9 | Confident | 79.6 | Confident | 149 Ų | 149 | 69.8 Ų | 69.8 | 80% | 0.797 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -6.5 | -174.7 | -58.7 | 4.7 | 0 | 0 | 0 | 112.8 | N150 | N150-N152 PolarHBondContact O-N 2.98Š|
| 153 | S | 75.6 | Confident | 79.8 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | trans | -79.5 | 134.6 | 173.7 | 48.8 | 0 | 0 | 0 | 0 | 109.2 | E113 L148 N150 C155 | E113-S153 VanDerWaalsContact OE1-C 3.3Å; E113-S153 WeakPolarHBondContact OE1-CA 3.08Å; E113-S153 WeakPolarHBondContact OE1-CB 3.5Å; L148-S153 WeakPolarHBondContact CD2-O 3.27Å; N150-S153 PolarHBondContact N-OG 3.44Å; N150-S153 PolarHBondContact O-N 3.15Å; N150-S153 PolarHBondContact O-OG 2.95Å; S153-C155 WeakPolarHBondContact CB-O 3.43Å; S153-C155 PolarHBondContact OG-O 3.38Å | ||
| 154 | R | 77.8 | Confident | 79.7 | Confident | 155 Ų | 155 | 70.5 Ų | 70.5 | 59% | 0.585 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -73.3 | -26.2 | 170.6 | -80.6 | -176.6 | 161.2 | 171.2 | -2.4 | 111.5 | E113 G128 E129 | E113-R154 PolarHBondContact OE1-N 3.1Å; G128-R154 PolarHBondContact N-O 3.27Å; E129-R154 IonicContact OE1-NE 3.91Å |
| 155 | C | 81.3 | Confident | 79.2 | Confident | 17 Ų | 17 | 77.4 Ų | 77.4 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 144.1 | -176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | C111 E113 C126 S153 | C111-C155 HydrophobicContact CB-CB 3.73Å; C111-C155 WeakPolarHBondContact CB-SG 3.48Å; C111-C155 PolarHBondContact O-SG 3.49Å; C111-C155 WeakPolarHBondContact SG-CA 3.36Å; C111-C155 WeakPolarHBondContact SG-CB 3.21Å; C111-C155 CovalentContact SG-SG 2.03Å; C111-C155 PolarHBondContact SG-SG 3.48Å; E113-C155 HydrophobicContact CG-CB 3.9Å; E113-C155 VanDerWaalsContact CG-SG 3.53Å; E113-C155 PolarHBondContact OE1-N 3.17Å; C126-C155 CarbonylContact O-C 3.37Å; C126-C155 VanDerWaalsContact O-CA 3.29Å; C126-C155 WeakPolarHBondContact O-CA 3.39Å; S153-C155 WeakPolarHBondContact CB-O 3.43Å; S153-C155 PolarHBondContact OG-O 3.38Å |
| 156 | G | 80.5 | Confident | 78.6 | Confident | 4 Ų | 4 | 81.1 Ų | 81.1 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | -176.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S125 C126 E147 | S125-G156 WeakPolarHBondContact CA-O 3.03Å; C126-G156 PolarHBondContact N-O 3.28Å; C126-G156 PolarHBondContact O-N 3.01Å; C126-G156 PolarHBondContact SG-O 3.04Å; E147-G156 CarbonylContact O-C 3.55Å; E147-G156 WeakPolarHBondContact O-CA 3.46Å |
| 157 | E | 80.4 | Confident | 78.5 | Confident | 71 Ų | 71 | 82.5 Ų | 82.5 | 33% | 0.332 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.7 | 179.8 | -62.9 | -178.9 | -149.9 | 0 | 0 | 109.6 | E147 H159 | E147-E157 PolarHBondContact N-O 2.95Å; E147-E157 PolarHBondContact O-N 3.19Å; E157-H159 PolarHBondContact O-N 2.85Å |
| 158 | W | 80.3 | Confident | 78.5 | Confident | 6 Ų | 6 | 81 Ų | 81 | 2% | 0.023 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 113.6 | 178.5 | -76.4 | 108.2 | 0 | 0 | 0 | 110.7 | L108 C126 V134 M264 L267 | L108-W158 HydrophobicContact CD2-CZ2 4.47Å; L108-W158 WeakPolarHBondContact O-CZ2 3.38Å; L108-W158 PolarHBondContact O-NE1 2.74Å; C126-W158 HydrophobicContact CB-CD2 3.94Å; C126-W158 VanDerWaalsContact CB-CE2 3.48Å; C126-W158 HydrophobicContact CB-CE3 4.49Å; C126-W158 HydrophobicContact CB-CG 4.36Å; C126-W158 HydrophobicContact CB-CH2 4.26Å; C126-W158 HydrophobicContact CB-CZ2 3.68Å; V134-W158 HydrophobicContact CB-CZ3 4.44Å; V134-W158 HydrophobicContact CG2-CH2 3.39Å; V134-W158 HydrophobicContact CG2-CZ2 4.17Å; V134-W158 HydrophobicContact CG2-CZ3 3.6Å; W158-M264 HydrophobicContact CB-CE 3.92Å; W158-M264 HydrophobicContact CD2-CE 3.94Å; W158-M264 HydrophobicContact CD2-SD 4.07Å; W158-M264 HydrophobicContact CE3-SD 4.31Å; W158-M264 HydrophobicContact CG-CE 3.65Å; W158-M264 HydrophobicContact CG-SD 4.42Å; W158-L267 HydrophobicContact CZ2-CD1 4.22Å |
| 159 | H | 79.7 | Confident | 78.4 | Confident | 44 Ų | 44 | 78 Ų | 78 | 20% | 0.204 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.8 | -176.3 | -87 | -143 | 0 | 0 | 0 | 111 | V61 Y144 Q145 E147 E157 M161 | V61-H159 HydrophobicContact CG2-CB 3.6Å; Y144-H159 WeakPolarHBondContact CA-O 3.36Å; Q145-H159 PolarHBondContact N-O 3.14Å; Q145-H159 PolarHBondContact O-N 2.88Å; E147-H159 HydrophobicContact CB-CB 4.48Å; E147-H159 HydrophobicContact CG-CB 4.09Å; E147-H159 IonicContact OE1-CE1 2.81Å; E147-H159 IonicContact OE1-CG 3.56Å; E147-H159 IonicContact OE1-ND1 3.93Å; E147-H159 PolarHBondContact OE1-ND1 3.28Å; E147-H159 IonicContact OE2-CE1 3.77Å; E147-H159 PolarHBondContact OE2-CE1 3.24Å; E147-H159 VanDerWaalsContact OE2-CE1 3.27Å; E147-H159 IonicContact OE2-ND1 3.27Å; E147-H159 PolarHBondContact OE2-ND1 2.9Å; E157-H159 PolarHBondContact O-N 2.85Å; H159-M161 PolarHBondContact O-N 3.15Å |
| 160 | L | 80.6 | Confident | 78.7 | Confident | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.8 | 178.4 | 177.5 | 63 | 0 | 0 | 0 | 111.3 | A60 V61 R142 Y144 | A60-L160 HydrophobicContact CB-CB 4.13Å; A60-L160 HydrophobicContact CB-CD2 4.05Å; V61-L160 WeakPolarHBondContact CG2-O 3.49Å; V61-L160 PolarHBondContact N-O 3.44Å; R142-L160 HydrophobicContact CB-CD1 3.91Å; R142-L160 HydrophobicContact CG-CD1 4.25Å; Y144-L160 HydrophobicContact CD1-CB 4.25Å; Y144-L160 HydrophobicContact CD1-CD1 4.38Å; Y144-L160 HydrophobicContact CD2-CD1 4.06Å; Y144-L160 HydrophobicContact CE1-CB 4.02Å; Y144-L160 HydrophobicContact CE1-CD1 4.03Å; Y144-L160 HydrophobicContact CE2-CD1 3.69Å; Y144-L160 HydrophobicContact CG-CD1 4.41Å |
| 161 | M | 80 | Confident | 78.8 | Confident | 56 Ų | 56 | 67 Ų | 67 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 150.4 | 175.6 | -61.6 | -64.4 | -79.7 | 0 | 0 | 110.9 | V61 R142 F143 Q145 H159 | V61-M161 HydrophobicContact CG2-SD 3.82Å; R142-M161 WeakPolarHBondContact CA-O 3.29Å; F143-M161 HydrophobicContact CD1-CB 3.94Å; F143-M161 HydrophobicContact CD2-CB 3.83Å; F143-M161 HydrophobicContact CD2-CG 4.35Å; F143-M161 HydrophobicContact CE1-CB 3.52Å; F143-M161 HydrophobicContact CE2-CB 3.42Å; F143-M161 VanDerWaalsContact CE2-CB 3.42Å; F143-M161 HydrophobicContact CE2-CG 3.77Å; F143-M161 HydrophobicContact CG-CB 4.09Å; F143-M161 HydrophobicContact CZ-CB 3.27Å; F143-M161 HydrophobicContact CZ-CG 3.95Å; F143-M161 PolarHBondContact N-O 3.18Å; F143-M161 WeakPolarHBondContact O-CA 3.48Å; F143-M161 WeakPolarHBondContact O-CB 3.05Å; F143-M161 PolarHBondContact O-N 2.84Å; F143-M161 VanDerWaalsContact O-O 3.09Å; Q145-M161 HydrophobicContact CB-CG 3.96Å; H159-M161 PolarHBondContact O-N 3.15Å |
| 162 | I | 84.5 | Confident | 78.9 | Confident | 115 Ų | 115 | 66 Ų | 66 | 59% | 0.59 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.6 | -178.5 | -48.9 | 179.8 | 0 | 0 | 0 | 108.4 | R142 | R142-I162 HydrophobicContact CG-CG1 4.46Å |
| 163 | C | 83.9 | Confident | 79.2 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 151.3 | 171 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | Q141 H167 C176 | Q141-C163 WeakPolarHBondContact O-CB 3.46Å; Q141-C163 PolarHBondContact O-N 3.43Å; C163-H167 HydrophobicContact CB-CB 3.99Å; C163-C176 WeakPolarHBondContact CA-SG 3.45Å; C163-C176 HydrophobicContact CB-CB 3.7Å; C163-C176 WeakPolarHBondContact CB-SG 3.48Å; C163-C176 WeakPolarHBondContact SG-CB 3.46Å; C163-C176 CovalentContact SG-SG 2.04Å; C163-C176 PolarHBondContact SG-SG 2.99Å |
| 164 | N | 82.2 | Confident | 79.4 | Confident | 118 Ų | 118 | 64 Ų | 64 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 157.8 | 173 | -68 | -30.3 | 0 | 0 | 0 | 111.9 | Q166 H167 | N164-Q166 PolarHBondContact O-N 3.3Å; N164-H167 WeakPolarHBondContact O-CB 3.37Å; N164-H167 PolarHBondContact O-N 3.48Å |
| 165 | E | 71.6 | Confident | 79.6 | Confident | 175 Ų | 175 | 58.4 Ų | 58.4 | 82% | 0.818 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 136.1 | 172.5 | -64.2 | -178.6 | -172.7 | 0 | 0 | 111.1 | H167 | E165-H167 PolarHBondContact O-N 2.97Š|
| 166 | Q | 72.2 | Confident | 79.7 | Confident | 157 Ų | 157 | 59.3 Ų | 59.3 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | -3.5 | -176.2 | -47.6 | 175.3 | 1.9 | 0 | 0 | 116.6 | N164 | N164-Q166 PolarHBondContact O-N 3.3Š|
| 167 | H | 81.4 | Confident | 79.8 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 21% | 0.213 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 148.6 | 173.5 | -65.3 | -156.9 | 0 | 0 | 0 | 111.3 | Q141 C163 N164 E165 C176 N177 | Q141-H167 PolarHBondContact NE2-O 2.79Å; C163-H167 HydrophobicContact CB-CB 3.99Å; N164-H167 WeakPolarHBondContact O-CB 3.37Å; N164-H167 PolarHBondContact O-N 3.48Å; E165-H167 PolarHBondContact O-N 2.97Å; H167-C176 HydrophobicContact CB-CB 4Å; H167-C176 PolarHBondContact ND1-O 3Å; H167-N177 CarbonylContact C-O 3.5Å; H167-N177 VanDerWaalsContact CA-O 3.22Å; H167-N177 WeakPolarHBondContact CA-O 3.48Å |
| 168 | I | 82.7 | Confident | 79.6 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.6 | 173.4 | -66.2 | 175.3 | 0 | 0 | 0 | 107.5 | I140 D170 C176 N177 D179 | I140-I168 HydrophobicContact CB-CG2 4.07Å; I140-I168 HydrophobicContact CD1-CD1 3.76Å; I140-I168 HydrophobicContact CD1-CG1 3.92Å; I140-I168 HydrophobicContact CD1-CG2 4.31Å; I140-I168 HydrophobicContact CG1-CG1 4.21Å; I140-I168 HydrophobicContact CG1-CG2 4.26Å; I168-D170 PolarHBondContact O-N 3.33Å; I168-C176 CarbonylContact O-C 3.59Å; I168-C176 WeakPolarHBondContact O-CA 3.24Å; I168-N177 PolarHBondContact N-O 2.88Å; I168-N177 PolarHBondContact O-N 2.02Å; I168-D179 HydrophobicContact CD1-CB 3.62Å; I168-D179 HydrophobicContact CG1-CB 4.32Å |
| 169 | F | 80.5 | Confident | 78.8 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 6% | 0.057 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.2 | 172.4 | 179.6 | -104.6 | 0 | 0 | 0 | 110.5 | Q133 P135 I140 F143 I171 | Q133-F169 HydrophobicContact CB-CE2 3.89Å; Q133-F169 HydrophobicContact CB-CZ 3.52Å; Q133-F169 VanDerWaalsContact OE1-CE2 3.32Å; P135-F169 HydrophobicContact CB-CD1 3.94Å; P135-F169 HydrophobicContact CB-CE1 4.21Å; I140-F169 PolarHBondContact O-N 2.83Å; F143-F169 HydrophobicContact CB-CB 4.21Å; F143-F169 HydrophobicContact CB-CD1 3.73Å; F143-F169 HydrophobicContact CB-CD2 3.75Å; F143-F169 HydrophobicContact CB-CE1 4.03Å; F143-F169 HydrophobicContact CB-CE2 4.07Å; F143-F169 HydrophobicContact CB-CG 3.59Å; F143-F169 HydrophobicContact CB-CZ 4.2Å; F143-F169 HydrophobicContact CD1-CB 4.27Å; F143-F169 AromaticContact CD1-CD2 3.76Å; F143-F169 HydrophobicContact CD1-CD2 3.76Å; F143-F169 HydrophobicContact CD1-CE2 4.45Å; F143-F169 HydrophobicContact CD1-CG 4.1Å; F143-F169 HydrophobicContact CD2-CD2 4.26Å; F143-F169 HydrophobicContact CD2-CE2 4.15Å; F143-F169 HydrophobicContact CE1-CD2 4.41Å; F143-F169 AromaticContact CG-CD2 3.66Å; F143-F169 HydrophobicContact CG-CD2 3.66Å; F143-F169 AromaticContact CG-CE2 3.98Å; F143-F169 HydrophobicContact CG-CE2 3.98Å; F143-F169 AromaticContact CG-CG 3.99Å; F143-F169 HydrophobicContact CG-CG 3.99Å; F169-I171 HydrophobicContact CE1-CB 4.15Å |
| 170 | D | 78.8 | Confident | 77.7 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 108.5 | 175.8 | 169.5 | 17.6 | 0 | 0 | 0 | 110 | I168 S172 T173 Q174 A175 N177 | I168-D170 PolarHBondContact O-N 3.33Å; D170-S172 VanDerWaalsContact CG-OG 3.27Å; D170-S172 PolarHBondContact O-N 2.77Å; D170-S172 VanDerWaalsContact O-N 3.17Å; D170-S172 VanDerWaalsContact OD1-CB 3.32Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 3.35Å; D170-S172 PolarHBondContact OD1-OG 3.03Å; D170-S172 PolarHBondContact OD2-OG 3.49Å; D170-S172 VanDerWaalsContact OD2-OG 3.13Å; D170-T173 WeakPolarHBondContact CB-OG1 3.15Å; D170-T173 PolarHBondContact O-N 2.89Å; D170-T173 WeakPolarHBondContact OD2-CB 3.3Å; D170-T173 VanDerWaalsContact OD2-CG2 3.28Å; D170-T173 WeakPolarHBondContact OD2-CG2 3.46Å; D170-T173 PolarHBondContact OD2-OG1 2.85Å; D170-Q174 PolarHBondContact O-N 2.83Å; D170-A175 PolarHBondContact N-O 3.32Å; D170-A175 PolarHBondContact O-N 3.08Å; D170-N177 PolarHBondContact OD2-ND2 3.41Å |
| 171 | I | 76.4 | Confident | 76.4 | Confident | 25 Ų | 25 | 75.8 Ų | 75.8 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.1 | 179 | -167.2 | 174.7 | 0 | 0 | 0 | 112.9 | P135 F169 Q174 F259 | P135-I171 HydrophobicContact CG-CD1 3.97Å; F169-I171 HydrophobicContact CE1-CB 4.15Å; I171-Q174 PolarHBondContact O-NE2 2.9Å; I171-F259 WeakPolarHBondContact CD1-O 2.98Å |
| 172 | S | 74.5 | Confident | 74.4 | Confident | 90 Ų | 90 | 80.4 Ų | 80.4 | 63% | 0.629 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -30.5 | -177 | 76.5 | 0 | 0 | 0 | 0 | 113.2 | D170 | D170-S172 VanDerWaalsContact CG-OG 3.27Å; D170-S172 PolarHBondContact O-N 2.77Å; D170-S172 VanDerWaalsContact O-N 3.17Å; D170-S172 VanDerWaalsContact OD1-CB 3.32Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 3.35Å; D170-S172 PolarHBondContact OD1-OG 3.03Å; D170-S172 PolarHBondContact OD2-OG 3.49Å; D170-S172 VanDerWaalsContact OD2-OG 3.13Å |
| 173 | T | 77.6 | Confident | 72.2 | Confident | 75 Ų | 75 | 80.6 Ų | 80.6 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -6.2 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | D170 A175 N177 | D170-T173 WeakPolarHBondContact CB-OG1 3.15Å; D170-T173 PolarHBondContact O-N 2.89Å; D170-T173 WeakPolarHBondContact OD2-CB 3.3Å; D170-T173 VanDerWaalsContact OD2-CG2 3.28Å; D170-T173 WeakPolarHBondContact OD2-CG2 3.46Å; D170-T173 PolarHBondContact OD2-OG1 2.85Å; T173-A175 PolarHBondContact O-N 2.79Å; T173-N177 PolarHBondContact OG1-ND2 3.45Å |
| 174 | Q | 80.5 | Confident | 70.1 | Confident | 49 Ų | 49 | 84.5 Ų | 84.5 | 23% | 0.229 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 37.8 | -179.1 | -65.8 | -78.5 | -66.7 | 0 | 0 | 112.1 | Q133 D170 I171 | Q133-Q174 PolarHBondContact NE2-O 2.87Å; Q133-Q174 PolarHBondContact O-NE2 3.27Å; Q133-Q174 VanDerWaalsContact O-NE2 3.15Å; Q133-Q174 PolarHBondContact OE1-O 3.05Å; D170-Q174 PolarHBondContact O-N 2.83Å; I171-Q174 PolarHBondContact O-NE2 2.9Å |
| 175 | A | 82.4 | Confident | 68 | Low | 36 Ų | 36 | 85.6 Ų | 85.6 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 155.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D170 T173 N177 | D170-A175 PolarHBondContact N-O 3.32Å; D170-A175 PolarHBondContact O-N 3.08Å; T173-A175 PolarHBondContact O-N 2.79Å; A175-N177 PolarHBondContact O-N 3.17Å |
| 176 | C | 84.1 | Confident | 66.3 | Low | 37 Ų | 37 | 81.8 Ų | 81.8 | 25% | 0.25 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 99.2 | 170.4 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | F143 C163 H167 I168 | F143-C176 WeakPolarHBondContact CE1-SG 3.42Å; C163-C176 WeakPolarHBondContact CA-SG 3.45Å; C163-C176 HydrophobicContact CB-CB 3.7Å; C163-C176 WeakPolarHBondContact CB-SG 3.48Å; C163-C176 WeakPolarHBondContact SG-CB 3.46Å; C163-C176 CovalentContact SG-SG 2.04Å; C163-C176 PolarHBondContact SG-SG 2.99Å; H167-C176 HydrophobicContact CB-CB 4Å; H167-C176 PolarHBondContact ND1-O 3Å; I168-C176 CarbonylContact O-C 3.59Å; I168-C176 WeakPolarHBondContact O-CA 3.24Å |
| 177 | N | 81.8 | Confident | 64.8 | Low | 68 Ų | 68 | 82.5 Ų | 82.5 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 155 | 179.7 | -65.4 | -33.6 | 0 | 0 | 0 | 111.5 | H167 I168 D170 T173 A175 | H167-N177 CarbonylContact C-O 3.5Å; H167-N177 VanDerWaalsContact CA-O 3.22Å; H167-N177 WeakPolarHBondContact CA-O 3.48Å; I168-N177 PolarHBondContact N-O 2.88Å; I168-N177 PolarHBondContact O-N 2.02Å; D170-N177 PolarHBondContact OD2-ND2 3.41Å; T173-N177 PolarHBondContact OG1-ND2 3.45Å; A175-N177 PolarHBondContact O-N 3.17Å |
| 178 | I | 76.7 | Confident | 62.9 | Low | 109 Ų | 109 | 85.7 Ų | 85.7 | 56% | 0.559 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 141.7 | 170.9 | -59.1 | 173.4 | 0 | 0 | 0 | 108.8 | E180 | I178-E180 VanDerWaalsContact C-N 3.35Å; I178-E180 PolarHBondContact O-N 3.35Å |
| 179 | D | 63.4 | Low | 60.7 | Low | 40 Ų | 40 | 89.8 Ų | 89.8 | 21% | 0.214 | 48% | 0.476 | C | S | . | . | trans | -68.1 | 86.1 | 173.5 | -176.2 | 15 | 0 | 0 | 0 | 112 | I168 T181 Q182 | I168-D179 HydrophobicContact CD1-CB 3.62Å; I168-D179 HydrophobicContact CG1-CB 4.32Å; D179-T181 PolarHBondContact O-N 2.87Å; D179-T181 WeakPolarHBondContact OD1-CA 3.29Å; D179-T181 VanDerWaalsContact OD1-CB 3.32Å; D179-T181 WeakPolarHBondContact OD1-CB 3.18Å; D179-T181 PolarHBondContact OD1-N 3.41Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-Q182 PolarHBondContact OD2-NE2 3.19Å; D179-Q182 VanDerWaalsContact OD2-NE2 3.09Å | ||
| 180 | E | 56.2 | Low | 58.7 | Low | 177 Ų | 177 | 95.2 Ų | 95.2 | 83% | 0.827 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -3.8 | 172.6 | -64.5 | -163.2 | 149.9 | 0 | 0 | 113.2 | I178 Q182 | I178-E180 VanDerWaalsContact C-N 3.35Å; I178-E180 PolarHBondContact O-N 3.35Å; E180-Q182 VanDerWaalsContact C-N 3.3Å; E180-Q182 PolarHBondContact O-N 3.49Å |
| 181 | T | 54 | Low | 56.8 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 63% | 0.632 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -6 | -177.8 | 77.5 | 0 | 0 | 0 | 0 | 114.3 | D179 | D179-T181 PolarHBondContact O-N 2.87Å; D179-T181 WeakPolarHBondContact OD1-CA 3.29Å; D179-T181 VanDerWaalsContact OD1-CB 3.32Å; D179-T181 WeakPolarHBondContact OD1-CB 3.18Å; D179-T181 PolarHBondContact OD1-N 3.41Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å |
| 182 | Q | 36.5 | Very low | 55 | Low | 153 Ų | 153 | 109.6 Ų | 109.6 | 72% | 0.715 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 91.6 | 161.8 | -67.6 | 178 | 65.2 | 0 | 0 | 109.3 | D179 E180 | D179-Q182 PolarHBondContact OD2-NE2 3.19Å; D179-Q182 VanDerWaalsContact OD2-NE2 3.09Å; E180-Q182 VanDerWaalsContact C-N 3.3Å; E180-Q182 PolarHBondContact O-N 3.49Å |
| 183 | P | 38.9 | Very low | 53.2 | Low | 119 Ų | 119 | 109.1 Ų | 109.1 | 77% | 0.773 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | -155.8 | 91.8 | 52 | 38.9 | -14.4 | 0 | 0 | 0 | 116.4 | |||
| 184 | E | 39.4 | Very low | 51.1 | Low | 91 Ų | 91 | 115 Ų | 115 | 43% | 0.425 | 58% | 0.578 | S | S | . | * | trans | -138.3 | 20 | 160.7 | -127 | -158.2 | -159.6 | 0 | 0 | 116.3 | S186 R187 | E184-S186 PolarHBondContact O-N 2.87Å; E184-R187 VanDerWaalsContact CD-CD 3.44Å; E184-R187 HydrophobicContact CG-CB 3.98Å; E184-R187 PolarHBondContact O-N 2.97Å; E184-R187 WeakPolarHBondContact OE1-CD 3.18Å; E184-R187 IonicContact OE1-CZ 3.05Å; E184-R187 IonicContact OE1-NE 2.94Å; E184-R187 IonicContact OE1-NH1 2.79Å; E184-R187 PolarHBondContact OE1-NH1 3.05Å | ||
| 185 | Q | 39.8 | Very low | 48.8 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56 | -25.7 | 175 | -76.1 | -170.4 | -8.8 | 0 | 0 | 114.2 | R187 Q189 | Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.28Å; Q185-Q189 WeakPolarHBondContact O-CG 3.42Å |
| 186 | S | 35.4 | Very low | 46.4 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.9 | -17.6 | 177.6 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | E184 | E184-S186 PolarHBondContact O-N 2.87Å |
| 187 | R | 39.1 | Very low | 43.8 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -106.3 | -28.6 | -173.1 | -148.5 | 176.7 | -172.4 | 177.7 | 0.6 | 114 | E184 Q185 | E184-R187 VanDerWaalsContact CD-CD 3.44Å; E184-R187 HydrophobicContact CG-CB 3.98Å; E184-R187 PolarHBondContact O-N 2.97Å; E184-R187 WeakPolarHBondContact OE1-CD 3.18Å; E184-R187 IonicContact OE1-CZ 3.05Å; E184-R187 IonicContact OE1-NE 2.94Å; E184-R187 IonicContact OE1-NH1 2.79Å; E184-R187 PolarHBondContact OE1-NH1 3.05Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.28Å |
| 188 | L | 41.9 | Very low | 41.3 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 59% | 0.592 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.7 | -36.8 | 175.2 | -84.4 | 153.9 | 0 | 0 | 0 | 112.8 | L190 R191 Q192 | L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 2.8Å; L188-R191 PolarHBondContact O-N 3.42Å; L188-R191 VanDerWaalsContact O-N 3.11Å; L188-Q192 PolarHBondContact O-N 3.02Å |
| 189 | Q | 36.1 | Very low | 39 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -64.2 | -30.9 | 179 | -68.8 | -178.9 | 14.7 | 0 | 0 | 113 | Q185 R191 | Q185-Q189 WeakPolarHBondContact O-CG 3.42Å; Q189-R191 VanDerWaalsContact C-N 3.31Å; Q189-R191 PolarHBondContact O-N 2.86Å |
| 190 | L | 38.9 | Very low | 37.5 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 67% | 0.665 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -73.5 | -16.9 | 175.9 | -99.6 | 152 | 0 | 0 | 0 | 114.2 | L188 | L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 2.8Å |
| 191 | R | 39.2 | Very low | 36.4 | Very low | 213 Ų | 213 | 134.5 Ų | 134.5 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -93.1 | -25.7 | 178.7 | -110.4 | -178.8 | 172.6 | -177.4 | -2.8 | 114.1 | L188 Q189 | L188-R191 PolarHBondContact O-N 3.42Å; L188-R191 VanDerWaalsContact O-N 3.11Å; Q189-R191 VanDerWaalsContact C-N 3.31Å; Q189-R191 PolarHBondContact O-N 2.86Å |
| 192 | Q | 38.9 | Very low | 35.1 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -80.6 | -19 | 175.4 | -71.1 | -177.1 | -14.5 | 0 | 0 | 113.2 | L188 Y194 | L188-Q192 PolarHBondContact O-N 3.02Å; Q192-Y194 VanDerWaalsContact C-N 3.26Å; Q192-Y194 PolarHBondContact O-N 3.12Å |
| 193 | A | 35.6 | Very low | 35 | Very low | 79 Ų | 79 | 138 Ų | 138 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 194 | Y | 34.3 | Very low | 34.3 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | 17.7 | -167 | -106.7 | -79.2 | 0 | 0 | 0 | 116.1 | Q192 | Q192-Y194 VanDerWaalsContact C-N 3.26Å; Q192-Y194 PolarHBondContact O-N 3.12Å |
| 195 | L | 32.3 | Very low | 34 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | -89.4 | 116.3 | 171 | -83.7 | 162 | 0 | 0 | 0 | 110.5 | ||||
| 196 | P | 31 | Very low | 33.3 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | -78 | 155.1 | -173.2 | 32.2 | -35.7 | 0 | 0 | 0 | 112.5 | A198 | P196-A198 PolarHBondContact O-N 3.24Å; P196-A198 VanDerWaalsContact O-N 3.09Å | ||
| 197 | Y | 29.9 | Very low | 32.9 | Very low | 244 Ų | 244 | 143.1 Ų | 143.1 | 96% | 0.957 | 76% | 0.762 | S | S | * | * | trans | -48.5 | 112.2 | 170.1 | -83.3 | -109.6 | 0 | 0 | 0 | 111.8 | ||||
| 198 | A | 30.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 140 Ų | 140 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -125.7 | 94 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109 | P196 | P196-A198 PolarHBondContact O-N 3.24Å; P196-A198 VanDerWaalsContact O-N 3.09Å | ||
| 199 | A | 28.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -80.7 | 132 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 200 | A | 30.4 | Very low | 31.4 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -153.9 | 152.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 201 | P | 33.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | -115.8 | 165.8 | -104.2 | 28.8 | -14.3 | 0 | 0 | 0 | 115 | Y203 | P201-Y203 PolarHBondContact O-N 2.82Š| |||
| 202 | A | 28.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -72.7 | 111.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 203 | Y | 33.2 | Very low | 29.5 | Very low | 228 Ų | 228 | 137.7 Ų | 137.7 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -138.4 | 131.7 | 147.2 | -73.1 | -91.5 | 0 | 0 | 0 | 106 | P201 | P201-Y203 PolarHBondContact O-N 2.82Š| ||
| 204 | G | 25.5 | Very low | 29.2 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | cis | 138.8 | 24.2 | 11.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 205 | Y | 31.8 | Very low | 28.7 | Very low | 244 Ų | 244 | 135.9 Ų | 135.9 | 96% | 0.957 | 78% | 0.775 | S | S | * | * | trans | -143.4 | 142.3 | 168.6 | -96.6 | -78.9 | 0 | 0 | 0 | 111.5 | ||||
| 206 | A | 25.8 | Very low | 28.7 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | trans | -83.9 | 147.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 207 | Q | 27.5 | Very low | 28.4 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | -149.5 | 145.1 | 110.7 | -80.5 | -44.9 | -67.2 | 0 | 0 | 109.5 | M209 | Q207-M209 PolarHBondContact O-N 3.42Š| |||
| 208 | P | 28.8 | Very low | 28.4 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 120.2 | 170.3 | 30.9 | -30.8 | 0 | 0 | 0 | 109.3 | ||
| 209 | M | 27.9 | Very low | 28.1 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 130.7 | 161.7 | -83.8 | -76.9 | -169.5 | 0 | 0 | 108 | Q207 A211 | Q207-M209 PolarHBondContact O-N 3.42Å; M209-A211 PolarHBondContact O-N 2.99Å; M209-A211 VanDerWaalsContact O-N 3.15Å |
| 210 | P | 27.5 | Very low | 28.1 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 119.6 | 173.6 | 26.8 | -32.3 | 0 | 0 | 0 | 108.5 | Y212 | P210-Y212 HydrophobicContact CG-CD2 4.43Å; P210-Y212 HydrophobicContact CG-CE2 3.92Å; P210-Y212 PolarHBondContact O-N 3.28Å; P210-Y212 VanDerWaalsContact O-N 3.14Å |
| 211 | A | 27 | Very low | 28 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | trans | -62 | 113.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | M209 D213 | M209-A211 PolarHBondContact O-N 2.99Å; M209-A211 VanDerWaalsContact O-N 3.15Å; A211-D213 PolarHBondContact O-N 3.06Å | ||
| 212 | Y | 27.9 | Very low | 27.6 | Very low | 204 Ų | 204 | 126.7 Ų | 126.7 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | trans | -71.7 | 83 | 169.6 | -81.5 | -90.2 | 0 | 0 | 0 | 108 | P210 Y214 | P210-Y212 HydrophobicContact CG-CD2 4.43Å; P210-Y212 HydrophobicContact CG-CE2 3.92Å; P210-Y212 PolarHBondContact O-N 3.28Å; P210-Y212 VanDerWaalsContact O-N 3.14Å; Y212-Y214 PolarHBondContact O-N 3.24Å | ||
| 213 | D | 23.5 | Very low | 27.6 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | -74.2 | 78.7 | 174.7 | -165.8 | 7.5 | 0 | 0 | 0 | 109.1 | A211 | A211-D213 PolarHBondContact O-N 3.06Š| ||
| 214 | Y | 28.7 | Very low | 27.3 | Very low | 175 Ų | 175 | 119.3 Ų | 119.3 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | trans | -110.5 | 68.4 | 164.7 | -92.2 | -79.9 | 0 | 0 | 0 | 109.3 | Y212 V216 | Y212-Y214 PolarHBondContact O-N 3.24Å; Y214-V216 HydrophobicContact CD1-CG2 4.25Å; Y214-V216 PolarHBondContact O-N 2.82Å | ||
| 215 | G | 24.5 | Very low | 27.3 | Very low | 67 Ų | 67 | 124.3 Ų | 124.3 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | trans | -66.6 | 93.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 216 | V | 30.8 | Very low | 27.1 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | trans | -117.6 | 98.1 | 164.9 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | Y214 | Y214-V216 HydrophobicContact CD1-CG2 4.25Å; Y214-V216 PolarHBondContact O-N 2.82Å | ||
| 217 | P | 25.2 | Very low | 27.1 | Very low | 97 Ų | 97 | 121 Ų | 121 | 63% | 0.63 | 69% | 0.687 | S | S | * | * | trans | -69.6 | 137 | 159.3 | 31.9 | -30.8 | 0 | 0 | 0 | 107.5 | ||||
| 218 | Y | 29.7 | Very low | 27.1 | Very low | 188 Ų | 188 | 121.2 Ų | 121.2 | 74% | 0.737 | 68% | 0.682 | S | S | * | * | trans | 169.7 | 106.1 | 139.4 | -94.4 | -62.8 | 0 | 0 | 0 | 112.5 | A220 | Y218-A220 PolarHBondContact O-N 3.27Š| ||
| 219 | A | 25.5 | Very low | 27 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | trans | 39.2 | 75.7 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 220 | A | 27.6 | Very low | 27 | Very low | 79 Ų | 79 | 123.6 Ų | 123.6 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | trans | -64.5 | 149.4 | 130.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y218 S222 | Y218-A220 PolarHBondContact O-N 3.27Å; A220-S222 PolarHBondContact O-N 3.05Å | ||
| 221 | P | 27.9 | Very low | 26.9 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 57% | 0.565 | 70% | 0.699 | S | S | * | * | trans | -56.6 | 136.8 | 163 | 28.5 | -33.8 | 0 | 0 | 0 | 107.6 | I33 V223 | I33-P221 HydrophobicContact CD1-CB 3.9Å; I33-P221 HydrophobicContact CD1-CG 3.9Å; I33-P221 HydrophobicContact CG1-CB 4.33Å; P221-V223 PolarHBondContact O-N 3.32Å | ||
| 222 | S | 25 | Very low | 27 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -67.2 | 93.7 | -174.3 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | A220 P224 | A220-S222 PolarHBondContact O-N 3.05Å; S222-P224 WeakPolarHBondContact O-CD 3.45Å | ||
| 223 | V | 28.6 | Very low | 26.9 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | trans | -52.5 | 118.1 | 138.8 | -100.8 | 0 | 0 | 0 | 0 | 105.4 | P221 M225 | P221-V223 PolarHBondContact O-N 3.32Å; V223-M225 VanDerWaalsContact C-N 3.34Å; V223-M225 PolarHBondContact O-N 2.82Å | ||
| 224 | P | 26.6 | Very low | 27.1 | Very low | 64 Ų | 64 | 126 Ų | 126 | 42% | 0.416 | 70% | 0.697 | S | S | . | * | trans | -71.5 | 96.1 | -171.8 | 28.7 | -34 | 0 | 0 | 0 | 108.4 | S222 Y226 | S222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-Y226 HydrophobicContact CB-CD2 3.72Å; P224-Y226 HydrophobicContact CB-CE2 3.62Å; P224-Y226 HydrophobicContact CG-CD2 4.21Å; P224-Y226 HydrophobicContact CG-CE2 4.15Å; P224-Y226 PolarHBondContact O-N 3.06Å | ||
| 225 | M | 26.4 | Very low | 27.1 | Very low | 169 Ų | 169 | 121.5 Ų | 121.5 | 83% | 0.833 | 70% | 0.696 | S | S | * | * | trans | -65.1 | 74.2 | 166.5 | -77.8 | -81.1 | 173.8 | 0 | 0 | 108.7 | V223 A227 | V223-M225 VanDerWaalsContact C-N 3.34Å; V223-M225 PolarHBondContact O-N 2.82Å; M225-A227 PolarHBondContact O-N 2.03Å | ||
| 226 | Y | 26.9 | Very low | 27.3 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 62% | 0.624 | 70% | 0.696 | S | S | * | * | trans | -70.5 | 70.1 | 166.4 | -79.7 | -66.8 | 0 | 0 | 0 | 108.6 | P224 Y228 | P224-Y226 HydrophobicContact CB-CD2 3.72Å; P224-Y226 HydrophobicContact CB-CE2 3.62Å; P224-Y226 HydrophobicContact CG-CD2 4.21Å; P224-Y226 HydrophobicContact CG-CE2 4.15Å; P224-Y226 PolarHBondContact O-N 3.06Å; Y226-Y228 PolarHBondContact O-N 2.95Å | ||
| 227 | A | 26.4 | Very low | 27.4 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | -65.5 | 76.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109 | M225 P229 | M225-A227 PolarHBondContact O-N 2.03Å; A227-P229 WeakPolarHBondContact O-CD 3.46Å | ||
| 228 | Y | 26.2 | Very low | 27.5 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 70% | 0.698 | 71% | 0.713 | S | S | * | * | trans | -56.7 | 126.7 | 167.3 | -98.4 | -86 | 0 | 0 | 0 | 108 | Y226 R230 | Y226-Y228 PolarHBondContact O-N 2.95Å; Y228-R230 PolarHBondContact O-N 3.45Å | ||
| 229 | P | 26.4 | Very low | 27.4 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | trans | -76.2 | 66.7 | 177.4 | 32.9 | -35.8 | 0 | 0 | 0 | 109.6 | A227 | A227-P229 WeakPolarHBondContact O-CD 3.46Š| ||
| 230 | R | 28.7 | Very low | 27.6 | Very low | 201 Ų | 201 | 131.8 Ų | 131.8 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | trans | -84.6 | 136.1 | 160.6 | -66.8 | -171.3 | -179.5 | -123.8 | 0.8 | 106.9 | Y228 I232 | Y228-R230 PolarHBondContact O-N 3.45Å; R230-I232 PolarHBondContact O-N 3.48Å | ||
| 231 | P | 26.6 | Very low | 27.6 | Very low | 132 Ų | 132 | 136 Ų | 136 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | trans | -70.2 | 84.6 | 175.1 | 29.9 | -33.7 | 0 | 0 | 0 | 108.5 | A233 | P231-A233 PolarHBondContact O-N 3.48Š| ||
| 232 | I | 28.4 | Very low | 27.6 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -59.4 | 109.2 | 160.4 | -60.9 | 175.3 | 0 | 0 | 0 | 104.3 | R230 Y234 | R230-I232 PolarHBondContact O-N 3.48Å; I232-Y234 VanDerWaalsContact C-N 3.31Å; I232-Y234 PolarHBondContact O-N 2.95Å | ||
| 233 | A | 25.9 | Very low | 27.7 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -60 | 104.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | P231 A235 | P231-A233 PolarHBondContact O-N 3.48Å; A233-A235 PolarHBondContact O-N 3.29Å | ||
| 234 | Y | 27.9 | Very low | 27.6 | Very low | 215 Ų | 215 | 138.9 Ų | 138.9 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -56.2 | 96 | 165 | -71.6 | -91.8 | 0 | 0 | 0 | 106 | I232 P236 | I232-Y234 VanDerWaalsContact C-N 3.31Å; I232-Y234 PolarHBondContact O-N 2.95Å; Y234-P236 WeakPolarHBondContact O-CD 3.5Å | ||
| 235 | A | 28.2 | Very low | 27.8 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | -53.8 | 112.5 | 154 | 0 | 0 | 0 | 0 | 0 | 103.7 | A233 V237 | A233-A235 PolarHBondContact O-N 3.29Å; A235-V237 PolarHBondContact O-N 3.14Å | ||
| 236 | P | 28.5 | Very low | 27.8 | Very low | 105 Ų | 105 | 142 Ų | 142 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | -58.5 | 122.5 | 179.6 | 24.2 | -31.7 | 0 | 0 | 0 | 105.3 | Y234 Q238 | Y234-P236 WeakPolarHBondContact O-CD 3.5Å; P236-Q238 PolarHBondContact O-N 2.79Å | ||
| 237 | V | 32.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -60 | 92.3 | 171 | -179.6 | 0 | 0 | 0 | 0 | 105.1 | A235 R239 | A235-V237 PolarHBondContact O-N 3.14Å; V237-R239 VanDerWaalsContact C-N 3.31Å; V237-R239 PolarHBondContact O-N 3.34Å | ||
| 238 | Q | 27.7 | Very low | 27.8 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -63 | 107.1 | 172.7 | -78.9 | -159.5 | -16.3 | 0 | 0 | 103.8 | P236 V240 | P236-Q238 PolarHBondContact O-N 2.79Å; Q238-V240 PolarHBondContact O-N 2.97Å | ||
| 239 | R | 28.4 | Very low | 27.7 | Very low | 224 Ų | 224 | 136 Ų | 136 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -58.5 | 90.7 | 160.7 | -69.5 | -175 | 175.9 | -147.2 | -0.8 | 105.2 | V237 Q241 | V237-R239 VanDerWaalsContact C-N 3.31Å; V237-R239 PolarHBondContact O-N 3.34Å; R239-Q241 VanDerWaalsContact C-N 3.35Å; R239-Q241 PolarHBondContact O-N 3.19Å | ||
| 240 | V | 29 | Very low | 27.8 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | -57.4 | 106.7 | 174.7 | 176 | 0 | 0 | 0 | 0 | 104.5 | Q238 V242 | Q238-V240 PolarHBondContact O-N 2.97Å; V240-V242 PolarHBondContact O-N 2.74Å | ||
| 241 | Q | 27.2 | Very low | 27.7 | Very low | 168 Ų | 168 | 135 Ų | 135 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -61.3 | 128.6 | 174.2 | -69.3 | -162.3 | -20.1 | 0 | 0 | 106.4 | R239 V243 | R239-Q241 VanDerWaalsContact C-N 3.35Å; R239-Q241 PolarHBondContact O-N 3.19Å; Q241-V243 VanDerWaalsContact C-N 3.3Å; Q241-V243 PolarHBondContact O-N 2.7Å | ||
| 242 | V | 27.2 | Very low | 27.7 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -67.4 | 92.8 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | V240 | V240-V242 PolarHBondContact O-N 2.74Š| ||
| 243 | V | 27.1 | Very low | 27.6 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 66% | 0.655 | 78% | 0.778 | S | S | * | * | trans | -94.1 | 117.1 | 171.8 | -172.4 | 0 | 0 | 0 | 0 | 107.4 | Q241 V245 | Q241-V243 VanDerWaalsContact C-N 3.3Å; Q241-V243 PolarHBondContact O-N 2.7Å; V243-V245 HydrophobicContact CG1-CG2 3.9Å; V243-V245 PolarHBondContact O-N 3Å | ||
| 244 | P | 27.9 | Very low | 27.8 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -78.1 | 106.9 | -177.5 | 30.8 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 245 | V | 30.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | -130.2 | 88.3 | 176.2 | -168.1 | 0 | 0 | 0 | 0 | 111.4 | V243 | V243-V245 HydrophobicContact CG1-CG2 3.9Å; V243-V245 PolarHBondContact O-N 3Å | ||
| 246 | M | 26.2 | Very low | 28.5 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | 47.7 | 152 | 132.3 | -69.6 | -123.9 | -80.5 | 0 | 0 | 122 | ||||
| 247 | P | 26.9 | Very low | 28.9 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -96.2 | 159.7 | -151.6 | 37.7 | -37.1 | 0 | 0 | 0 | 115.4 | ||||
| 248 | A | 26 | Very low | 29.3 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | 50.7 | 118.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 249 | A | 24.8 | Very low | 30.2 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | 161.4 | 98.8 | 98.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 250 | T | 27.8 | Very low | 30.8 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 87% | 0.871 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -174.7 | 131.5 | 143.8 | 22.1 | 0 | 0 | 0 | 0 | 108.9 | G252 | T250-G252 PolarHBondContact O-N 3.24Š|
| 251 | V | 27.4 | Very low | 31.9 | Very low | 164 Ų | 164 | 114.1 Ų | 114.1 | 99% | 0.994 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -47.7 | 100.5 | -174 | -168.2 | 0 | 0 | 0 | 0 | 113 | ||
| 252 | G | 26.3 | Very low | 33.5 | Very low | 56 Ų | 56 | 107.2 Ų | 107.2 | 58% | 0.577 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 172.1 | 121.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | T250 P254 | T250-G252 PolarHBondContact O-N 3.24Å; G252-P254 VanDerWaalsContact O-CD 3.28Å; G252-P254 WeakPolarHBondContact O-CD 3.26Å |
| 253 | F | 26.7 | Very low | 35.6 | Very low | 204 Ų | 204 | 101.1 Ų | 101.1 | 90% | 0.895 | 62% | 0.622 | S | S | * | * | trans | -62.6 | 117.6 | -170.7 | -72.6 | -94 | 0 | 0 | 0 | 111.4 | M255 | F253-M255 PolarHBondContact O-N 2.96Š| ||
| 254 | P | 30.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 96.5 Ų | 96.5 | 80% | 0.799 | 59% | 0.594 | S | S | * | * | trans | -74.5 | 100.4 | 171.9 | 30.2 | -31 | 0 | 0 | 0 | 108.4 | G252 N256 | G252-P254 VanDerWaalsContact O-CD 3.28Å; G252-P254 WeakPolarHBondContact O-CD 3.26Å; P254-N256 PolarHBondContact O-N 3.45Å; P254-N256 VanDerWaalsContact O-N 3.12Å | ||
| 255 | M | 33.4 | Very low | 39.8 | Very low | 106 Ų | 106 | 93.6 Ų | 93.6 | 52% | 0.522 | 57% | 0.57 | S | S | . | * | trans | -53.3 | 117.1 | 173.5 | -76.4 | -78.3 | -89.1 | 0 | 0 | 109.7 | F253 | F253-M255 PolarHBondContact O-N 2.96Š| ||
| 256 | N | 37 | Very low | 41.6 | Very low | 89 Ų | 89 | 90.1 Ų | 90.1 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | trans | -67.7 | 122.4 | 179.5 | -165.6 | 10 | 0 | 0 | 0 | 108.3 | P254 F258 F259 | P254-N256 PolarHBondContact O-N 3.45Å; P254-N256 VanDerWaalsContact O-N 3.12Å; N256-F258 PolarHBondContact O-N 2.83Å; N256-F258 WeakPolarHBondContact OD1-CD2 3.48Å; N256-F259 HydrophobicContact CB-CD2 4.28Å; N256-F259 PolarHBondContact O-N 3.43Å | ||
| 257 | P | 36.9 | Very low | 43.9 | Very low | 92 Ų | 92 | 81.7 Ų | 81.7 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -63.5 | -5 | -168.9 | 22.9 | -35.5 | 0 | 0 | 0 | 115.4 | F259 S260 | P257-F259 PolarHBondContact O-N 3.21Å; P257-S260 PolarHBondContact O-OG 3.2Å |
| 258 | F | 40.1 | Very low | 46.1 | Very low | 127 Ų | 127 | 78.8 Ų | 78.8 | 56% | 0.557 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -63.6 | -25.3 | 168.3 | -69 | -89.6 | 0 | 0 | 0 | 113.3 | N256 F262 | N256-F258 PolarHBondContact O-N 2.83Å; N256-F258 WeakPolarHBondContact OD1-CD2 3.48Å; F258-F262 WeakPolarHBondContact O-CE2 3.22Å |
| 259 | F | 46.3 | Very low | 48.1 | Very low | 19 Ų | 19 | 78.8 Ų | 78.8 | 8% | 0.083 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -89.1 | -11.1 | -171 | -74.8 | -81.2 | 0 | 0 | 0 | 116.2 | V101 L104 F132 I171 N256 P257 G261 F262 | V101-F259 HydrophobicContact CG1-CZ 4.23Å; L104-F259 HydrophobicContact CD2-CE1 4.01Å; L104-F259 HydrophobicContact CD2-CE2 3.85Å; L104-F259 HydrophobicContact CD2-CZ 3.36Å; L104-F259 HydrophobicContact CG-CE1 4.42Å; L104-F259 HydrophobicContact CG-CZ 4.09Å; F132-F259 AromaticContact CE1-CD1 3.76Å; F132-F259 HydrophobicContact CE1-CD1 3.76Å; F132-F259 HydrophobicContact CE1-CE1 4.26Å; F132-F259 AromaticContact CZ-CD1 3.73Å; F132-F259 HydrophobicContact CZ-CD1 3.73Å; F132-F259 HydrophobicContact CZ-CE1 4.43Å; I171-F259 WeakPolarHBondContact CD1-O 2.98Å; N256-F259 HydrophobicContact CB-CD2 4.28Å; N256-F259 PolarHBondContact O-N 3.43Å; P257-F259 PolarHBondContact O-N 3.21Å; F259-G261 PolarHBondContact O-N 3.13Å; F259-F262 AromaticContact CD1-CD2 3.67Å; F259-F262 HydrophobicContact CD1-CD2 3.67Å; F259-F262 HydrophobicContact CD1-CE2 4.08Å; F259-F262 HydrophobicContact CE1-CD2 4.02Å; F259-F262 HydrophobicContact CE1-CE2 4.1Å; F259-F262 HydrophobicContact CG-CD2 4.38Å; F259-F262 PolarHBondContact O-N 3.25Å |
| 260 | S | 42.5 | Very low | 50.4 | Low | 87 Ų | 87 | 74.5 Ų | 74.5 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -70.9 | 2.2 | -175.9 | 57.3 | 0 | 0 | 0 | 0 | 115.5 | P257 | P257-S260 PolarHBondContact O-OG 3.2Š|
| 261 | G | 51.2 | Low | 52.6 | Low | 55 Ų | 55 | 68 Ų | 68 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -131 | 7.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | F259 G263 N266 | F259-G261 PolarHBondContact O-N 3.13Å; G261-G263 PolarHBondContact O-N 2.01Å; G261-N266 PolarHBondContact O-ND2 3.16Å |
| 262 | F | 61.7 | Low | 54.6 | Low | 23 Ų | 23 | 62.3 Ų | 62.3 | 10% | 0.101 | 35% | 0.352 | C | S | . | . | trans | -88 | 98.4 | 173.8 | -67.6 | -64.2 | 0 | 0 | 0 | 110.4 | M96 V134 F258 F259 N266 | M96-F262 HydrophobicContact CG-CE1 4.06Å; M96-F262 HydrophobicContact SD-CE1 4.36Å; V134-F262 WeakPolarHBondContact CG1-O 3.13Å; F258-F262 WeakPolarHBondContact O-CE2 3.22Å; F259-F262 AromaticContact CD1-CD2 3.67Å; F259-F262 HydrophobicContact CD1-CD2 3.67Å; F259-F262 HydrophobicContact CD1-CE2 4.08Å; F259-F262 HydrophobicContact CE1-CD2 4.02Å; F259-F262 HydrophobicContact CE1-CE2 4.1Å; F259-F262 HydrophobicContact CG-CD2 4.38Å; F259-F262 PolarHBondContact O-N 3.25Å; F262-N266 HydrophobicContact CD1-CB 3.9Å | ||
| 263 | G | 71 | Confident | 56.6 | Low | 8 Ų | 8 | 60.3 Ų | 60.3 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | trans | -80.7 | 166.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P135 G261 Q265 N266 L267 | P135-G263 WeakPolarHBondContact O-CA 3.31Å; G261-G263 PolarHBondContact O-N 2.01Å; G263-Q265 PolarHBondContact O-N 3.03Å; G263-Q265 VanDerWaalsContact O-N 3.12Å; G263-N266 WeakPolarHBondContact O-CB 3.04Å; G263-N266 PolarHBondContact O-N 3.02Å; G263-L267 PolarHBondContact O-N 3.13Å | ||
| 264 | M | 71.9 | Confident | 58.7 | Low | 11 Ų | 11 | 50.9 Ų | 50.9 | 5% | 0.054 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -28.7 | -178.1 | -84.9 | -57.5 | -77.8 | 0 | 0 | 113.6 | L124 V134 P135 Y144 W158 N266 L267 F268 | L124-M264 HydrophobicContact CD2-CE 4.09Å; V134-M264 HydrophobicContact CB-CG 3.96Å; V134-M264 HydrophobicContact CB-SD 3.89Å; V134-M264 HydrophobicContact CG1-CB 4.31Å; V134-M264 HydrophobicContact CG1-CG 3.67Å; V134-M264 VanDerWaalsContact CG1-N 3.33Å; V134-M264 HydrophobicContact CG1-SD 3.81Å; V134-M264 HydrophobicContact CG2-SD 4.11Å; P135-M264 PolarHBondContact O-N 2.01Å; P135-M264 VanDerWaalsContact O-N 3.1Å; Y144-M264 HydrophobicContact CD1-CE 4.11Å; Y144-M264 HydrophobicContact CD1-CG 3.95Å; Y144-M264 HydrophobicContact CD2-CB 3.98Å; Y144-M264 HydrophobicContact CD2-CG 3.2Å; Y144-M264 HydrophobicContact CE1-CG 4.32Å; Y144-M264 HydrophobicContact CE2-CB 3.92Å; Y144-M264 HydrophobicContact CE2-CG 3.64Å; Y144-M264 HydrophobicContact CG-CB 4.46Å; Y144-M264 HydrophobicContact CG-CE 4.31Å; Y144-M264 HydrophobicContact CG-CG 3.36Å; Y144-M264 HydrophobicContact CG-SD 4.2Å; W158-M264 HydrophobicContact CB-CE 3.92Å; W158-M264 HydrophobicContact CD2-CE 3.94Å; W158-M264 HydrophobicContact CD2-SD 4.07Å; W158-M264 HydrophobicContact CE3-SD 4.31Å; W158-M264 HydrophobicContact CG-CE 3.65Å; W158-M264 HydrophobicContact CG-SD 4.42Å; M264-N266 PolarHBondContact O-N 3.07Å; M264-L267 PolarHBondContact O-N 3.34Å; M264-L267 HydrophobicContact SD-CB 4.39Å; M264-L267 HydrophobicContact SD-CD1 3.69Å; M264-F268 VanDerWaalsContact O-CB 3.31Å; M264-F268 WeakPolarHBondContact O-CB 3.28Å; M264-F268 PolarHBondContact O-N 3.37Å |
| 265 | Q | 70.9 | Confident | 60.5 | Low | 61 Ų | 61 | 45.8 Ų | 45.8 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.7 | -38.1 | 174.2 | -68.4 | 75.9 | 4.7 | 0 | 0 | 111.8 | D136 G137 G263 Q269 | D136-Q265 PolarHBondContact OD1-NE2 2.92Å; G137-Q265 VanDerWaalsContact CA-OE1 3.29Å; G263-Q265 PolarHBondContact O-N 3.03Å; G263-Q265 VanDerWaalsContact O-N 3.12Å; Q265-Q269 VanDerWaalsContact O-CB 3.3Å; Q265-Q269 WeakPolarHBondContact O-CB 3.26Å; Q265-Q269 PolarHBondContact O-N 3.27Å |
| 266 | N | 69.2 | Low | 62 | Low | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -75 | -37.3 | 178.4 | -65.4 | -21.1 | 0 | 0 | 0 | 111.7 | M96 G261 F262 G263 M264 Q269 Y270 | M96-N266 HydrophobicContact SD-CB 4.31Å; G261-N266 PolarHBondContact O-ND2 3.16Å; F262-N266 HydrophobicContact CD1-CB 3.9Å; G263-N266 WeakPolarHBondContact O-CB 3.04Å; G263-N266 PolarHBondContact O-N 3.02Å; M264-N266 PolarHBondContact O-N 3.07Å; N266-Q269 PolarHBondContact O-N 3.35Å; N266-Y270 WeakPolarHBondContact O-CB 3.19Å; N266-Y270 PolarHBondContact O-N 2.92Å |
| 267 | L | 74.3 | Confident | 63.3 | Low | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 172.5 | -73.6 | 169 | 0 | 0 | 0 | 111.5 | M105 L108 T109 L124 V134 W158 G263 M264 Y270 Y271 | M105-L267 HydrophobicContact CE-CD2 3.69Å; M105-L267 HydrophobicContact SD-CD2 3.95Å; L108-L267 HydrophobicContact CB-CD2 3.97Å; T109-L267 HydrophobicContact CG2-CB 3.98Å; T109-L267 HydrophobicContact CG2-CD2 3.53Å; T109-L267 HydrophobicContact CG2-CG 4.35Å; T109-L267 WeakPolarHBondContact CG2-O 3.4Å; L124-L267 HydrophobicContact CD2-CB 4.3Å; V134-L267 HydrophobicContact CB-CD1 4.49Å; V134-L267 HydrophobicContact CG1-CD1 3.97Å; V134-L267 HydrophobicContact CG2-CD1 3.79Å; W158-L267 HydrophobicContact CZ2-CD1 4.22Å; G263-L267 PolarHBondContact O-N 3.13Å; M264-L267 PolarHBondContact O-N 3.34Å; M264-L267 HydrophobicContact SD-CB 4.39Å; M264-L267 HydrophobicContact SD-CD1 3.69Å; L267-Y270 PolarHBondContact O-N 2.97Å; L267-Y271 WeakPolarHBondContact O-CB 3.38Å; L267-Y271 PolarHBondContact O-N 3.1Å |
| 268 | F | 71.8 | Confident | 64.7 | Low | 49 Ų | 49 | 37.3 Ų | 37.3 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 174.1 | -170.2 | -101.1 | 0 | 0 | 0 | 111.5 | I72 L124 M264 Y271 M272 | I72-F268 HydrophobicContact CD1-CZ 4.24Å; L124-F268 HydrophobicContact CD1-CD2 3.65Å; L124-F268 HydrophobicContact CD1-CE2 4.14Å; L124-F268 HydrophobicContact CD2-CB 4.44Å; L124-F268 HydrophobicContact CD2-CD2 4.46Å; M264-F268 VanDerWaalsContact O-CB 3.31Å; M264-F268 WeakPolarHBondContact O-CB 3.28Å; M264-F268 PolarHBondContact O-N 3.37Å; F268-Y271 PolarHBondContact O-N 3.05Å; F268-M272 HydrophobicContact CD1-CE 3.47Å; F268-M272 VanDerWaalsContact CD1-CE 3.47Å; F268-M272 HydrophobicContact CD1-CG 4.3Å; F268-M272 HydrophobicContact CD1-SD 3.94Å; F268-M272 HydrophobicContact CE1-CE 3.57Å; F268-M272 HydrophobicContact CE1-CG 4.02Å; F268-M272 HydrophobicContact CE1-SD 3.42Å; F268-M272 WeakPolarHBondContact CE1-SD 3.29Å; F268-M272 HydrophobicContact CZ-CG 4.33Å; F268-M272 HydrophobicContact CZ-SD 4.11Å; F268-M272 WeakPolarHBondContact O-CB 3.45Å; F268-M272 WeakPolarHBondContact O-CG 3.17Å; F268-M272 PolarHBondContact O-N 3.21Å |
| 269 | Q | 70 | Confident | 65.8 | Low | 99 Ų | 99 | 32.2 Ų | 32.2 | 46% | 0.463 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 173.2 | -171.3 | 178 | 10.3 | 0 | 0 | 112.2 | Q265 N266 M272 S273 | Q265-Q269 VanDerWaalsContact O-CB 3.3Å; Q265-Q269 WeakPolarHBondContact O-CB 3.26Å; Q265-Q269 PolarHBondContact O-N 3.27Å; N266-Q269 PolarHBondContact O-N 3.35Å; Q269-M272 HydrophobicContact CB-CE 4.47Å; Q269-S273 WeakPolarHBondContact O-CB 3.45Å; Q269-S273 PolarHBondContact O-N 2.81Å; Q269-S273 PolarHBondContact O-OG 3.03Å |
| 270 | Y | 73.1 | Confident | 66.3 | Low | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -52.7 | 174.3 | -172.4 | -92.6 | 0 | 0 | 0 | 111 | M96 F97 K102 M105 D106 T109 F110 N266 L267 M272 S273 M274 | M96-Y270 WeakPolarHBondContact O-CE2 3.28Å; F97-Y270 HydrophobicContact CD1-CD2 4.05Å; F97-Y270 AromaticContact CD1-CE2 3.59Å; F97-Y270 HydrophobicContact CD1-CE2 3.59Å; F97-Y270 AromaticContact CE1-CD2 3.68Å; F97-Y270 HydrophobicContact CE1-CD2 3.68Å; F97-Y270 AromaticContact CE1-CE2 3.65Å; F97-Y270 HydrophobicContact CE1-CE2 3.65Å; F97-Y270 HydrophobicContact CZ-CD2 4.47Å; K102-Y270 WeakPolarHBondContact CG-OH 3.14Å; K102-Y270 PolarHBondContact NZ-OH 2.93Å; M105-Y270 HydrophobicContact CB-CD1 3.95Å; M105-Y270 HydrophobicContact CB-CD2 4.25Å; M105-Y270 HydrophobicContact CB-CE1 3.58Å; M105-Y270 HydrophobicContact CB-CE2 3.9Å; M105-Y270 HydrophobicContact CB-CG 4.27Å; M105-Y270 HydrophobicContact CE-CD1 4.18Å; M105-Y270 HydrophobicContact CE-CD2 3.78Å; M105-Y270 HydrophobicContact CE-CG 3.58Å; M105-Y270 HydrophobicContact CG-CE2 4.35Å; D106-Y270 PolarHBondContact OD1-OH 3.49Å; T109-Y270 HydrophobicContact CG2-CD1 4.01Å; F110-Y270 HydrophobicContact CE2-CD1 4.25Å; F110-Y270 HydrophobicContact CE2-CE1 4.06Å; N266-Y270 WeakPolarHBondContact O-CB 3.19Å; N266-Y270 PolarHBondContact O-N 2.92Å; L267-Y270 PolarHBondContact O-N 2.97Å; Y270-M272 PolarHBondContact O-N 3.26Å; Y270-S273 PolarHBondContact O-N 2.72Å; Y270-S273 VanDerWaalsContact O-N 3.17Å; Y270-S273 PolarHBondContact O-OG 3.2Å; Y270-M274 HydrophobicContact CD1-CG 4.14Å; Y270-M274 HydrophobicContact CD2-CG 4.45Å; Y270-M274 HydrophobicContact CE1-CB 4.31Å; Y270-M274 HydrophobicContact CE1-CG 3.69Å; Y270-M274 HydrophobicContact CE2-CG 4.05Å; Y270-M274 HydrophobicContact CG-CG 4.5Å; Y270-M274 WeakPolarHBondContact O-CB 3.4Å; Y270-M274 PolarHBondContact O-N 3.07Å |
| 271 | Y | 74.1 | Confident | 66.7 | Low | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51 | -55.4 | 175.6 | 177.9 | -81.6 | 0 | 0 | 0 | 110.8 | Q55 T109 F110 P121 G123 L124 L267 F268 S273 M274 F275 | Q55-Y271 VanDerWaalsContact CD-CE1 3.47Å; Q55-Y271 HydrophobicContact CG-CE1 4.32Å; Q55-Y271 VanDerWaalsContact NE2-CD1 3.26Å; T109-Y271 WeakPolarHBondContact O-CD2 3.48Å; F110-Y271 AromaticContact CD1-CD2 3.6Å; F110-Y271 HydrophobicContact CD1-CD2 3.6Å; F110-Y271 AromaticContact CD1-CE2 3.67Å; F110-Y271 HydrophobicContact CD1-CE2 3.67Å; F110-Y271 AromaticContact CE1-CD2 3.25Å; F110-Y271 HydrophobicContact CE1-CD2 3.25Å; F110-Y271 AromaticContact CE1-CE2 3.53Å; F110-Y271 HydrophobicContact CE1-CE2 3.53Å; F110-Y271 AromaticContact CE1-CG 3.85Å; F110-Y271 HydrophobicContact CE1-CG 3.85Å; F110-Y271 AromaticContact CZ-CD2 3.97Å; F110-Y271 HydrophobicContact CZ-CD2 3.97Å; F110-Y271 HydrophobicContact CZ-CG 4.23Å; F110-Y271 WeakPolarHBondContact CZ-O 3.17Å; P121-Y271 HydrophobicContact CG-CE2 4.47Å; P121-Y271 PolarHBondContact O-OH 2.88Å; G123-Y271 VanDerWaalsContact O-CE2 3.31Å; G123-Y271 WeakPolarHBondContact O-CE2 3.31Å; G123-Y271 PolarHBondContact O-OH 2.67Å; L124-Y271 HydrophobicContact CB-CD2 4.43Å; L124-Y271 HydrophobicContact CD1-CD1 3.79Å; L124-Y271 HydrophobicContact CD1-CD2 3.69Å; L124-Y271 HydrophobicContact CD1-CE1 4.26Å; L124-Y271 HydrophobicContact CD1-CE2 4.13Å; L124-Y271 HydrophobicContact CD1-CG 3.48Å; L124-Y271 VanDerWaalsContact CD1-CG 3.48Å; L124-Y271 HydrophobicContact CG-CD2 3.65Å; L124-Y271 HydrophobicContact CG-CE2 4.3Å; L124-Y271 HydrophobicContact CG-CG 3.79Å; L267-Y271 WeakPolarHBondContact O-CB 3.38Å; L267-Y271 PolarHBondContact O-N 3.1Å; F268-Y271 PolarHBondContact O-N 3.05Å; Y271-S273 VanDerWaalsContact C-N 3.33Å; Y271-S273 PolarHBondContact O-N 3.35Å; Y271-M274 PolarHBondContact O-N 2.86Å; Y271-F275 HydrophobicContact CD1-CB 4.28Å; Y271-F275 HydrophobicContact CE1-CB 4.06Å; Y271-F275 AromaticContact CE1-CD2 3.71Å; Y271-F275 HydrophobicContact CE1-CD2 3.71Å; Y271-F275 HydrophobicContact CE1-CE2 4.35Å; Y271-F275 HydrophobicContact CE1-CG 4.02Å; Y271-F275 HydrophobicContact CE2-CD2 4.02Å; Y271-F275 AromaticContact CZ-CD2 3.39Å; Y271-F275 AromaticContact CZ-CE2 3.83Å; Y271-F275 WeakPolarHBondContact O-CB 3.46Å; Y271-F275 PolarHBondContact O-N 3.03Å; Y271-F275 VanDerWaalsContact OH-CD2 3.24Å; Y271-F275 WeakPolarHBondContact OH-CD2 3.45Å; Y271-F275 WeakPolarHBondContact OH-CE2 3.46Å |
| 272 | M | 69.1 | Low | 66.7 | Low | 45 Ų | 45 | 35.8 Ų | 35.8 | 22% | 0.222 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.8 | -49.8 | 179.6 | -75.2 | -171.6 | -65.5 | 0 | 0 | 111.1 | I72 W74 F268 Q269 Y270 M274 P276 | I72-M272 HydrophobicContact CD1-CG 4.09Å; I72-M272 HydrophobicContact CD1-SD 3.73Å; I72-M272 HydrophobicContact CG1-SD 4.17Å; I72-M272 HydrophobicContact CG2-SD 3.81Å; W74-M272 WeakPolarHBondContact CZ2-O 3.05Å; F268-M272 HydrophobicContact CD1-CE 3.47Å; F268-M272 VanDerWaalsContact CD1-CE 3.47Å; F268-M272 HydrophobicContact CD1-CG 4.3Å; F268-M272 HydrophobicContact CD1-SD 3.94Å; F268-M272 HydrophobicContact CE1-CE 3.57Å; F268-M272 HydrophobicContact CE1-CG 4.02Å; F268-M272 HydrophobicContact CE1-SD 3.42Å; F268-M272 WeakPolarHBondContact CE1-SD 3.29Å; F268-M272 HydrophobicContact CZ-CG 4.33Å; F268-M272 HydrophobicContact CZ-SD 4.11Å; F268-M272 WeakPolarHBondContact O-CB 3.45Å; F268-M272 WeakPolarHBondContact O-CG 3.17Å; F268-M272 PolarHBondContact O-N 3.21Å; Q269-M272 HydrophobicContact CB-CE 4.47Å; Y270-M272 PolarHBondContact O-N 3.26Å; M272-M274 VanDerWaalsContact C-N 3.3Å; M272-M274 PolarHBondContact O-N 2.83Å; M272-P276 VanDerWaalsContact O-CD 3.29Å; M272-P276 WeakPolarHBondContact O-CD 3.48Å |
| 273 | S | 67.7 | Low | 65.8 | Low | 14 Ų | 14 | 36.9 Ų | 36.9 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.6 | -29.8 | -177 | 72.9 | 0 | 0 | 0 | 0 | 114.3 | F97 Q269 Y270 Y271 | F97-S273 VanDerWaalsContact CE1-OG 3.28Å; F97-S273 WeakPolarHBondContact CE1-OG 3.05Å; F97-S273 VanDerWaalsContact CZ-OG 3.26Å; F97-S273 WeakPolarHBondContact CZ-OG 3.26Å; Q269-S273 WeakPolarHBondContact O-CB 3.45Å; Q269-S273 PolarHBondContact O-N 2.81Å; Q269-S273 PolarHBondContact O-OG 3.03Å; Y270-S273 PolarHBondContact O-N 2.72Å; Y270-S273 VanDerWaalsContact O-N 3.17Å; Y270-S273 PolarHBondContact O-OG 3.2Å; Y271-S273 VanDerWaalsContact C-N 3.33Å; Y271-S273 PolarHBondContact O-N 3.35Å |
| 274 | M | 71 | Confident | 64.4 | Low | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -99 | -26.2 | -175.8 | -73.2 | -69.8 | 93.5 | 0 | 0 | 114.1 | L92 F97 F110 Y270 Y271 M272 W277 M278 | L92-M274 HydrophobicContact CD1-CE 3.71Å; L92-M274 HydrophobicContact CD2-CE 3.22Å; L92-M274 HydrophobicContact CG-CE 4.11Å; F97-M274 HydrophobicContact CD1-CE 4.2Å; F97-M274 HydrophobicContact CD1-SD 4.44Å; F97-M274 HydrophobicContact CE1-CE 3.95Å; F97-M274 HydrophobicContact CE1-CG 4.18Å; F97-M274 HydrophobicContact CE1-SD 4.41Å; F110-M274 HydrophobicContact CE2-CB 3.54Å; F110-M274 HydrophobicContact CE2-CG 4.44Å; F110-M274 HydrophobicContact CZ-CB 3.56Å; Y270-M274 HydrophobicContact CD1-CG 4.14Å; Y270-M274 HydrophobicContact CD2-CG 4.45Å; Y270-M274 HydrophobicContact CE1-CB 4.31Å; Y270-M274 HydrophobicContact CE1-CG 3.69Å; Y270-M274 HydrophobicContact CE2-CG 4.05Å; Y270-M274 HydrophobicContact CG-CG 4.5Å; Y270-M274 WeakPolarHBondContact O-CB 3.4Å; Y270-M274 PolarHBondContact O-N 3.07Å; Y271-M274 PolarHBondContact O-N 2.86Å; M272-M274 VanDerWaalsContact C-N 3.3Å; M272-M274 PolarHBondContact O-N 2.83Å; M274-W277 CarbonylContact O-C 3.55Å; M274-W277 WeakPolarHBondContact O-CA 3.4Å; M274-W277 WeakPolarHBondContact O-CB 3.31Å; M274-W277 PolarHBondContact O-N 3.15Å; M274-M278 HydrophobicContact CB-CG 4.33Å; M274-M278 WeakPolarHBondContact O-CB 3.36Å; M274-M278 PolarHBondContact O-N 3.11Å |
| 275 | F | 68.5 | Low | 63.1 | Low | 17 Ų | 17 | 40.3 Ų | 40.3 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56 | -48.2 | -172.7 | 178.5 | -88.4 | 0 | 0 | 0 | 113.4 | F110 V120 Y271 W277 M278 Y279 F285 | F110-F275 HydrophobicContact CE1-CB 3.96Å; F110-F275 HydrophobicContact CE1-CD2 4.07Å; F110-F275 HydrophobicContact CZ-CB 4.26Å; V120-F275 HydrophobicContact CG1-CD2 4.46Å; V120-F275 HydrophobicContact CG1-CE2 3.32Å; V120-F275 HydrophobicContact CG1-CZ 3.39Å; Y271-F275 HydrophobicContact CD1-CB 4.28Å; Y271-F275 HydrophobicContact CE1-CB 4.06Å; Y271-F275 AromaticContact CE1-CD2 3.71Å; Y271-F275 HydrophobicContact CE1-CD2 3.71Å; Y271-F275 HydrophobicContact CE1-CE2 4.35Å; Y271-F275 HydrophobicContact CE1-CG 4.02Å; Y271-F275 HydrophobicContact CE2-CD2 4.02Å; Y271-F275 AromaticContact CZ-CD2 3.39Å; Y271-F275 AromaticContact CZ-CE2 3.83Å; Y271-F275 WeakPolarHBondContact O-CB 3.46Å; Y271-F275 PolarHBondContact O-N 3.03Å; Y271-F275 VanDerWaalsContact OH-CD2 3.24Å; Y271-F275 WeakPolarHBondContact OH-CD2 3.45Å; Y271-F275 WeakPolarHBondContact OH-CE2 3.46Å; F275-W277 PolarHBondContact O-N 3.26Å; F275-W277 VanDerWaalsContact O-N 3.11Å; F275-M278 PolarHBondContact O-N 3.14Å; F275-Y279 AromaticContact CD2-CD2 3.98Å; F275-Y279 HydrophobicContact CD2-CD2 3.98Å; F275-Y279 HydrophobicContact CD2-CE2 4.4Å; F275-Y279 HydrophobicContact CE2-CD2 4.16Å; F275-Y279 PolarHBondContact O-N 2.96Å; F275-Y279 VanDerWaalsContact O-N 3.15Å; F275-F285 AromaticContact CE1-CD1 3.82Å; F275-F285 HydrophobicContact CE1-CD1 3.82Å; F275-F285 AromaticContact CE1-CE1 3.75Å; F275-F285 HydrophobicContact CE1-CE1 3.75Å; F275-F285 HydrophobicContact CE1-CG 4.3Å; F275-F285 HydrophobicContact CE1-CZ 4.18Å |
| 276 | P | 63.9 | Low | 61.4 | Low | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -20.5 | 177.5 | -23.3 | 36.1 | 0 | 0 | 0 | 114.1 | W74 M272 M287 | W74-P276 HydrophobicContact CE3-CG 4.44Å; W74-P276 HydrophobicContact CH2-CG 3.78Å; W74-P276 HydrophobicContact CZ2-CG 3.9Å; W74-P276 HydrophobicContact CZ3-CG 4.06Å; M272-P276 VanDerWaalsContact O-CD 3.29Å; M272-P276 WeakPolarHBondContact O-CD 3.48Å; P276-M287 HydrophobicContact CB-CE 4.15Å |
| 277 | W | 64.9 | Low | 60.3 | Low | 59 Ų | 59 | 37.9 Ų | 37.9 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -97.2 | -28.1 | -177.6 | -64.7 | 100.9 | 0 | 0 | 0 | 113.4 | E85 K89 M274 F275 M287 | E85-W277 HydrophobicContact CB-CH2 4.35Å; E85-W277 HydrophobicContact CG-CH2 3.28Å; E85-W277 HydrophobicContact CG-CZ2 4.22Å; E85-W277 HydrophobicContact CG-CZ3 3.61Å; E85-W277 WeakPolarHBondContact O-CH2 3.28Å; E85-W277 WeakPolarHBondContact O-CZ2 3.36Å; K89-W277 HydrophobicContact CB-CH2 3.76Å; K89-W277 HydrophobicContact CB-CZ2 3.33Å; K89-W277 HydrophobicContact CD-CD2 4.33Å; K89-W277 HydrophobicContact CD-CE3 4.35Å; K89-W277 HydrophobicContact CD-CH2 3.98Å; K89-W277 HydrophobicContact CD-CZ2 4.04Å; K89-W277 HydrophobicContact CD-CZ3 4.18Å; K89-W277 HydrophobicContact CG-CD2 4.28Å; K89-W277 HydrophobicContact CG-CH2 4.03Å; K89-W277 HydrophobicContact CG-CZ2 3.6Å; M274-W277 CarbonylContact O-C 3.55Å; M274-W277 WeakPolarHBondContact O-CA 3.4Å; M274-W277 WeakPolarHBondContact O-CB 3.31Å; M274-W277 PolarHBondContact O-N 3.15Å; F275-W277 PolarHBondContact O-N 3.26Å; F275-W277 VanDerWaalsContact O-N 3.11Å; W277-M287 HydrophobicContact CD2-CE 4.18Å; W277-M287 HydrophobicContact CE3-CE 4.39Å; W277-M287 HydrophobicContact CH2-CE 3.85Å; W277-M287 HydrophobicContact CZ2-CE 3.5Å; W277-M287 HydrophobicContact CZ3-CE 4.25Å |
| 278 | M | 66.2 | Low | 58.6 | Low | 43 Ų | 43 | 41.9 Ų | 41.9 | 21% | 0.212 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.8 | -30.1 | 174.8 | -81.9 | -82.1 | -97.4 | 0 | 0 | 112.3 | D106 F110 M274 F275 P280 | D106-M278 HydrophobicContact CB-CE 4.18Å; F110-M278 HydrophobicContact CB-CE 3.8Å; F110-M278 HydrophobicContact CD2-CE 3.34Å; F110-M278 HydrophobicContact CD2-CG 4.35Å; F110-M278 HydrophobicContact CE2-CE 3.98Å; F110-M278 HydrophobicContact CE2-CG 4.09Å; F110-M278 HydrophobicContact CG-CE 3.7Å; F110-M278 HydrophobicContact CZ-CG 4.34Å; M274-M278 HydrophobicContact CB-CG 4.33Å; M274-M278 WeakPolarHBondContact O-CB 3.36Å; M274-M278 PolarHBondContact O-N 3.11Å; F275-M278 PolarHBondContact O-N 3.14Å; M278-P280 VanDerWaalsContact C-CD 3.45Å |
| 279 | Y | 63.3 | Low | 57 | Low | 20 Ų | 20 | 45.4 Ų | 45.4 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -130.4 | 59.5 | -174 | -58.9 | -70.2 | 0 | 0 | 0 | 113.4 | F110 K112 V120 P121 F275 G281 | F110-Y279 AromaticContact CD1-CE2 3.9Å; F110-Y279 HydrophobicContact CD1-CE2 3.9Å; F110-Y279 HydrophobicContact CE1-CE2 4.35Å; K112-Y279 VanDerWaalsContact CE-OH 3.26Å; K112-Y279 WeakPolarHBondContact CE-OH 3.39Å; V120-Y279 HydrophobicContact CB-CD1 4.38Å; V120-Y279 HydrophobicContact CB-CG 4.35Å; V120-Y279 HydrophobicContact CG1-CD2 4.08Å; V120-Y279 HydrophobicContact CG1-CG 4.08Å; V120-Y279 HydrophobicContact CG2-CD1 3.48Å; V120-Y279 VanDerWaalsContact CG2-CD1 3.48Å; V120-Y279 HydrophobicContact CG2-CD2 4.37Å; V120-Y279 HydrophobicContact CG2-CE1 4.13Å; V120-Y279 HydrophobicContact CG2-CG 3.58Å; P121-Y279 VanDerWaalsContact CD-CZ 3.43Å; P121-Y279 WeakPolarHBondContact CD-OH 3.4Å; P121-Y279 HydrophobicContact CG-CE2 4.07Å; F275-Y279 AromaticContact CD2-CD2 3.98Å; F275-Y279 HydrophobicContact CD2-CD2 3.98Å; F275-Y279 HydrophobicContact CD2-CE2 4.4Å; F275-Y279 HydrophobicContact CE2-CD2 4.16Å; F275-Y279 PolarHBondContact O-N 2.96Å; F275-Y279 VanDerWaalsContact O-N 3.15Å; Y279-G281 PolarHBondContact O-N 3.31Å; Y279-G281 VanDerWaalsContact O-N 3.14Å |
| 280 | P | 55.6 | Low | 55.7 | Low | 86 Ų | 86 | 51 Ų | 51 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 116.9 | -179.3 | 27.2 | -34.9 | 0 | 0 | 0 | 111.3 | M278 | M278-P280 VanDerWaalsContact C-CD 3.45Š|
| 281 | G | 51.9 | Low | 53.8 | Low | 54 Ų | 54 | 55.3 Ų | 55.3 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | 4.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117 | Y279 | Y279-G281 PolarHBondContact O-N 3.31Å; Y279-G281 VanDerWaalsContact O-N 3.14Å |
| 282 | Y | 50.1 | Low | 51.8 | Low | 97 Ų | 97 | 58.6 Ų | 58.6 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -67.4 | 153.7 | 169.3 | -176.8 | -102.4 | 0 | 0 | 0 | 111.7 | V120 G284 F285 | V120-Y282 HydrophobicContact CB-CD1 3.58Å; V120-Y282 HydrophobicContact CB-CD2 3.78Å; V120-Y282 HydrophobicContact CB-CE1 3.62Å; V120-Y282 HydrophobicContact CB-CE2 3.78Å; V120-Y282 HydrophobicContact CB-CG 3.66Å; V120-Y282 HydrophobicContact CG1-CD1 3.81Å; V120-Y282 HydrophobicContact CG1-CE1 3.98Å; V120-Y282 HydrophobicContact CG1-CG 4.24Å; V120-Y282 VanDerWaalsContact CG2-CB 3.44Å; V120-Y282 HydrophobicContact CG2-CD1 3.61Å; V120-Y282 HydrophobicContact CG2-CD2 3.28Å; V120-Y282 HydrophobicContact CG2-CE1 4.11Å; V120-Y282 HydrophobicContact CG2-CE2 3.79Å; V120-Y282 HydrophobicContact CG2-CG 3.15Å; Y282-G284 CarbonylContact O-C 3.6Å; Y282-G284 PolarHBondContact O-N 2.72Å; Y282-F285 HydrophobicContact CD1-CD2 4.21Å; Y282-F285 VanDerWaalsContact O-CA 3.29Å; Y282-F285 WeakPolarHBondContact O-CA 3.17Å; Y282-F285 WeakPolarHBondContact O-CB 3.32Å; Y282-F285 WeakPolarHBondContact O-CD2 3.4Å; Y282-F285 PolarHBondContact O-N 2.84Å |
| 283 | G | 42.9 | Very low | 50 | Low | 46 Ų | 46 | 64.8 Ų | 64.8 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 18.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | F285 | G283-F285 VanDerWaalsContact C-N 3.28Š|
| 284 | G | 41.8 | Very low | 48.3 | Very low | 64 Ų | 64 | 76.9 Ų | 76.9 | 66% | 0.66 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -6.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I43 Y282 G286 | I43-G284 WeakPolarHBondContact CD1-O 3.49Å; Y282-G284 CarbonylContact O-C 3.6Å; Y282-G284 PolarHBondContact O-N 2.72Å; G284-G286 PolarHBondContact O-N 2.77Å |
| 285 | F | 44.8 | Very low | 46.4 | Very low | 26 Ų | 26 | 79.2 Ų | 79.2 | 11% | 0.114 | 48% | 0.483 | C | S | . | . | trans | -65.3 | 25 | 162 | -55.9 | -96.8 | 0 | 0 | 0 | 113 | P42 I43 I53 F275 Y282 G283 M287 | P42-F285 HydrophobicContact CB-CE2 3.84Å; P42-F285 HydrophobicContact CB-CZ 3.94Å; I43-F285 VanDerWaalsContact CD1-CA 3.46Å; I43-F285 HydrophobicContact CD1-CB 4.06Å; I43-F285 HydrophobicContact CD1-CD1 3.55Å; I43-F285 HydrophobicContact CD1-CD2 4.17Å; I43-F285 HydrophobicContact CD1-CE1 3.96Å; I43-F285 HydrophobicContact CD1-CG 3.66Å; I43-F285 HydrophobicContact CD1-CZ 4.42Å; I43-F285 HydrophobicContact CG1-CD1 4.04Å; I43-F285 HydrophobicContact CG1-CE1 3.9Å; I43-F285 HydrophobicContact CG1-CG 4.4Å; I43-F285 HydrophobicContact CG1-CZ 4.14Å; I53-F285 HydrophobicContact CG1-CE1 4.35Å; I53-F285 HydrophobicContact CG2-CE1 3.68Å; I53-F285 HydrophobicContact CG2-CZ 4.24Å; F275-F285 AromaticContact CE1-CD1 3.82Å; F275-F285 HydrophobicContact CE1-CD1 3.82Å; F275-F285 AromaticContact CE1-CE1 3.75Å; F275-F285 HydrophobicContact CE1-CE1 3.75Å; F275-F285 HydrophobicContact CE1-CG 4.3Å; F275-F285 HydrophobicContact CE1-CZ 4.18Å; Y282-F285 HydrophobicContact CD1-CD2 4.21Å; Y282-F285 VanDerWaalsContact O-CA 3.29Å; Y282-F285 WeakPolarHBondContact O-CA 3.17Å; Y282-F285 WeakPolarHBondContact O-CB 3.32Å; Y282-F285 WeakPolarHBondContact O-CD2 3.4Å; Y282-F285 PolarHBondContact O-N 2.84Å; G283-F285 VanDerWaalsContact C-N 3.28Å; F285-M287 PolarHBondContact O-N 3.32Å | ||
| 286 | G | 36 | Very low | 44.6 | Very low | 40 Ų | 40 | 82.6 Ų | 82.6 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | trans | -67.7 | 100.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | G284 | G284-G286 PolarHBondContact O-N 2.77Š| ||
| 287 | M | 45.4 | Very low | 43 | Very low | 19 Ų | 19 | 85.9 Ų | 85.9 | 9% | 0.094 | 56% | 0.558 | C | S | . | * | trans | -34.5 | 125.7 | 134.4 | -60.8 | -80 | -164.8 | 0 | 0 | 107 | F83 E85 P276 W277 F285 P289 | F83-M287 HydrophobicContact CE1-SD 3.4Å; F83-M287 WeakPolarHBondContact CE1-SD 3.32Å; F83-M287 HydrophobicContact CZ-CE 4.26Å; F83-M287 HydrophobicContact CZ-SD 3.58Å; F83-M287 VanDerWaalsContact CZ-SD 3.58Å; E85-M287 HydrophobicContact CB-SD 3.83Å; E85-M287 HydrophobicContact CG-CB 4.45Å; E85-M287 HydrophobicContact CG-CE 3.91Å; E85-M287 HydrophobicContact CG-CG 4.1Å; E85-M287 HydrophobicContact CG-SD 3.61Å; E85-M287 WeakPolarHBondContact OE2-CB 3.47Å; P276-M287 HydrophobicContact CB-CE 4.15Å; W277-M287 HydrophobicContact CD2-CE 4.18Å; W277-M287 HydrophobicContact CE3-CE 4.39Å; W277-M287 HydrophobicContact CH2-CE 3.85Å; W277-M287 HydrophobicContact CZ2-CE 3.5Å; W277-M287 HydrophobicContact CZ3-CE 4.25Å; F285-M287 PolarHBondContact O-N 3.32Å; M287-P289 VanDerWaalsContact O-N 3.16Å | ||
| 288 | P | 38.8 | Very low | 41.3 | Very low | 84 Ų | 84 | 87 Ų | 87 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -51.7 | 128 | -170.1 | 19.3 | -32.1 | 0 | 0 | 0 | 109.5 | R290 | P288-R290 PolarHBondContact O-N 3.2Š|
| 289 | P | 38.2 | Very low | 39.6 | Very low | 124 Ų | 124 | 89 Ų | 89 | 81% | 0.805 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -51.4 | 116.2 | -154.6 | 17.8 | -33.2 | 0 | 0 | 0 | 110.9 | M287 G291 | M287-P289 VanDerWaalsContact O-N 3.16Å; P289-G291 PolarHBondContact O-N 3.15Å |
| 290 | R | 43.1 | Very low | 38.3 | Very low | 215 Ų | 215 | 92.3 Ų | 92.3 | 81% | 0.811 | 65% | 0.651 | S | S | * | * | trans | -10 | 104.1 | -173.4 | -91.4 | -176.7 | 171 | 166 | -1.7 | 111.8 | P288 G292 | P288-R290 PolarHBondContact O-N 3.2Å; R290-G292 VanDerWaalsContact C-N 3.31Å; R290-G292 WeakPolarHBondContact O-CA 3.48Å; R290-G292 PolarHBondContact O-N 2.85Å | ||
| 291 | G | 32.6 | Very low | 37.4 | Very low | 92 Ų | 92 | 94 Ų | 94 | 95% | 0.948 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | 90.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P289 | P289-G291 PolarHBondContact O-N 3.15Š|
| 292 | G | 32 | Very low | 36.8 | Very low | 73 Ų | 73 | 97.5 Ų | 97.5 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.3 | -24.5 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R290 | R290-G292 VanDerWaalsContact C-N 3.31Å; R290-G292 WeakPolarHBondContact O-CA 3.48Å; R290-G292 PolarHBondContact O-N 2.85Å |
| 293 | Q | 32.3 | Very low | 36.2 | Very low | 175 Ų | 175 | 97.5 Ų | 97.5 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -154.1 | 84.8 | 168.5 | -138.6 | 161.9 | 16.3 | 0 | 0 | 115.5 | G295 | Q293-G295 PolarHBondContact O-N 2.93Å; Q293-G295 VanDerWaalsContact O-N 3.17Å | ||
| 294 | R | 31.6 | Very low | 35.8 | Very low | 268 Ų | 268 | 99.4 Ų | 99.4 | 100% | 1.011 | 72% | 0.715 | S | S | * | * | trans | -74.3 | 91.7 | 151.4 | -94.8 | -173.5 | 170.8 | -174.4 | -1.1 | 108.3 | ||||
| 295 | G | 30.6 | Very low | 35.6 | Very low | 56 Ų | 56 | 100.1 Ų | 100.1 | 58% | 0.577 | 72% | 0.722 | S | S | * | * | trans | -177.6 | 68.8 | 180 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q293 | Q293-G295 PolarHBondContact O-N 2.93Å; Q293-G295 VanDerWaalsContact O-N 3.17Å | ||
| 296 | G | 30.9 | Very low | 35.6 | Very low | 87 Ų | 87 | 103.7 Ų | 103.7 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | 71 | 152.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 297 | G | 29.4 | Very low | 35.7 | Very low | 76 Ų | 76 | 108.2 Ų | 108.2 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | cis | -164.4 | 146.7 | -7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 298 | G | 30.5 | Very low | 35.5 | Very low | 81 Ų | 81 | 111.3 Ų | 111.3 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | 75.2 | 80.4 | 57.9 | 0 | 0 | 0 | 0 | 0 | 108 | A300 | G298-A300 PolarHBondContact O-N 3.13Š| |||
| 299 | G | 29.7 | Very low | 35.5 | Very low | 87 Ų | 87 | 111.1 Ų | 111.1 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -69.7 | 119 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 300 | A | 36.2 | Very low | 35.6 | Very low | 89 Ų | 89 | 109.1 Ų | 109.1 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | -171.9 | 128.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G298 | G298-A300 PolarHBondContact O-N 3.13Š| ||
| 301 | P | 35.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 103.5 Ų | 103.5 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | trans | -88.7 | 164.5 | 153.6 | 36.4 | -31.2 | 0 | 0 | 0 | 110.1 | ||||
| 302 | P | 39.9 | Very low | 36.5 | Very low | 126 Ų | 126 | 105.3 Ų | 105.3 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | cis | -127 | -154.4 | -11.2 | 40.5 | -22.8 | 0 | 0 | 0 | 111.9 | ||||
| 303 | A | 38.1 | Very low | 37 | Very low | 97 Ų | 97 | 107 Ų | 107 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | 89.1 | 88.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 304 | G | 33.5 | Very low | 37.3 | Very low | 87 Ų | 87 | 102.6 Ų | 102.6 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | 25.7 | 125.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 305 | G | 37.3 | Very low | 37.7 | Very low | 79 Ų | 79 | 93.5 Ų | 93.5 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | 172.3 | 121.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 306 | A | 45.5 | Very low | 38.5 | Very low | 101 Ų | 101 | 96.7 Ų | 96.7 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -80.3 | 150.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 307 | P | 37.9 | Very low | 39.3 | Very low | 135 Ų | 135 | 98.5 Ų | 98.5 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -86.1 | 133 | -178.2 | 33.5 | -33.4 | 0 | 0 | 0 | 112.5 | ||||
| 308 | G | 40.7 | Very low | 39.9 | Very low | 84 Ų | 84 | 98.7 Ų | 98.7 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | -160 | 104.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 309 | G | 39 | Very low | 40.4 | Very low | 79 Ų | 79 | 99.1 Ų | 99.1 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | trans | -167.4 | 83.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 310 | G | 41.7 | Very low | 41.1 | Very low | 83 Ų | 83 | 99.6 Ų | 99.6 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | -74.3 | 147.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 311 | A | 46.8 | Very low | 42.1 | Very low | 97 Ų | 97 | 101.1 Ų | 101.1 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | trans | -99.6 | -166.8 | -162.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 312 | P | 47.9 | Very low | 42.9 | Very low | 130 Ų | 130 | 101 Ų | 101 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | -128.4 | 179.5 | -120.2 | 32.5 | -9.6 | 0 | 0 | 0 | 115.1 | |||||
| 313 | A | 41.2 | Very low | 43.3 | Very low | 109 Ų | 109 | 100.6 Ų | 100.6 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | trans | -158.4 | 141.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 314 | G | 39.1 | Very low | 43.4 | Very low | 81 Ų | 81 | 100.2 Ų | 100.2 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | 112.5 | 63.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 315 | G | 39.7 | Very low | 43.7 | Very low | 78 Ų | 78 | 99.6 Ų | 99.6 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | 79.1 | 167.5 | 132.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 316 | P | 48.2 | Very low | 44.3 | Very low | 123 Ų | 123 | 101.8 Ų | 101.8 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -133.4 | -149.5 | -155.9 | 40.1 | -17.9 | 0 | 0 | 0 | 112.6 | ||||
| 317 | P | 47.8 | Very low | 44.5 | Very low | 125 Ų | 125 | 103.2 Ų | 103.2 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | -121.7 | 174.2 | -55.4 | 27.4 | -8.9 | 0 | 0 | 0 | 113 | |||||
| 318 | G | 41.8 | Very low | 44.7 | Very low | 80 Ų | 80 | 100.7 Ų | 100.7 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 173.3 | 144.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 319 | G | 40.8 | Very low | 44.8 | Very low | 89 Ų | 89 | 100.8 Ų | 100.8 | 92% | 0.918 | 83% | 0.832 | S | S | * | * | trans | 110.8 | 119.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 320 | A | 44.1 | Very low | 44.8 | Very low | 98 Ų | 98 | 101.1 Ų | 101.1 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | -106.9 | 168.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 321 | P | 56.8 | Low | 45.2 | Very low | 121 Ų | 121 | 102 Ų | 102 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | trans | -97 | -145.8 | -171.3 | 44.3 | -38.4 | 0 | 0 | 0 | 110.4 | ||||
| 322 | P | 54.2 | Low | 45.1 | Very low | 118 Ų | 118 | 103.9 Ų | 103.9 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | cis | -136.2 | 178.5 | -16.9 | 41.2 | -24.6 | 0 | 0 | 0 | 115.1 | ||||
| 323 | S | 46.6 | Very low | 44.8 | Very low | 119 Ų | 119 | 101.2 Ų | 101.2 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | -176.6 | 128 | 148.2 | 56 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 324 | G | 41 | Very low | 44.8 | Very low | 89 Ų | 89 | 100.2 Ų | 100.2 | 92% | 0.918 | 84% | 0.835 | S | S | * | * | trans | 67.6 | 149.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 325 | G | 41 | Very low | 44.8 | Very low | 73 Ų | 73 | 100.2 Ų | 100.2 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | cis | -170.4 | 172.1 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 326 | P | 48.8 | Very low | 44.8 | Very low | 126 Ų | 126 | 102.2 Ų | 102.2 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -119.9 | -148.9 | -145.8 | 47.2 | -34.5 | 0 | 0 | 0 | 114.1 | ||||
| 327 | P | 49 | Very low | 44.7 | Very low | 131 Ų | 131 | 102.3 Ų | 102.3 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | -126.6 | 175.9 | -119.7 | 33.7 | -10.4 | 0 | 0 | 0 | 116.7 | |||||
| 328 | G | 42.7 | Very low | 44.3 | Very low | 81 Ų | 81 | 100.3 Ų | 100.3 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | -179.5 | 154.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 329 | G | 42.4 | Very low | 44.2 | Very low | 86 Ų | 86 | 101.5 Ų | 101.5 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | cis | 146 | 115.6 | 3.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 330 | G | 40.6 | Very low | 44.2 | Very low | 86 Ų | 86 | 104.6 Ų | 104.6 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | trans | 175.1 | 139.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 331 | A | 48.2 | Very low | 44.7 | Very low | 102 Ų | 102 | 105.2 Ų | 105.2 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -129.8 | 175.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 332 | P | 46.6 | Very low | 44.3 | Very low | 136 Ų | 136 | 104.6 Ų | 104.6 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -101 | 170.8 | -160.1 | 39.5 | -36.6 | 0 | 0 | 0 | 116.5 | ||||
| 333 | G | 40.6 | Very low | 43.5 | Very low | 74 Ų | 74 | 103.7 Ų | 103.7 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -154.5 | 141.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 334 | G | 40.7 | Very low | 43.2 | Very low | 89 Ų | 89 | 103.2 Ų | 103.2 | 92% | 0.918 | 83% | 0.834 | S | S | * | * | 84.4 | 133.6 | 70.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 335 | G | 39.6 | Very low | 43.1 | Very low | 80 Ų | 80 | 102.4 Ų | 102.4 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | cis | -178.1 | 169.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 336 | S | 40.7 | Very low | 43.3 | Very low | 120 Ų | 120 | 105.1 Ų | 105.1 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | trans | -77.5 | -160.7 | -175.6 | -29.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 337 | P | 44.8 | Very low | 43.1 | Very low | 126 Ų | 126 | 108 Ų | 108 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | cis | -137.2 | 176 | -24.2 | 34.4 | -15.5 | 0 | 0 | 0 | 115 | ||||
| 338 | G | 39 | Very low | 42.8 | Very low | 82 Ų | 82 | 110.8 Ų | 110.8 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | 106.2 | 127 | 130.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 339 | A | 40.1 | Very low | 42.6 | Very low | 106 Ų | 106 | 111 Ų | 111 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -169.7 | 136.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 340 | N | 41.4 | Very low | 42.5 | Very low | 153 Ų | 153 | 111.6 Ų | 111.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -158.8 | 165.9 | 177.1 | -145.7 | 3.4 | 0 | 0 | 0 | 109.5 | ||||
| 341 | P | 54.5 | Low | 43.1 | Very low | 112 Ų | 112 | 112.9 Ų | 112.9 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | -97.4 | -97.6 | -90.6 | 30.6 | -16.6 | 0 | 0 | 0 | 112.7 | |||||
| 342 | P | 47.8 | Very low | 42.9 | Very low | 108 Ų | 108 | 116.3 Ų | 116.3 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | cis | -127.2 | 176 | -14.5 | 44 | -28.2 | 0 | 0 | 0 | 116.3 | ||||
| 343 | A | 37.3 | Very low | 42.6 | Very low | 99 Ų | 99 | 112.9 Ų | 112.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 69.5 | 120.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 344 | A | 40.8 | Very low | 42.6 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | -169.1 | 140.7 | 121.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 345 | G | 38 | Very low | 43.1 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -115.5 | -162.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 346 | P | 45.3 | Very low | 43.5 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | -117.4 | 178.6 | -123.7 | 42 | -35.5 | 0 | 0 | 0 | 116.4 | |||||
| 347 | K | 45.3 | Very low | 43.7 | Very low | 185 Ų | 185 | 120.9 Ų | 120.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -167.6 | 120.2 | 159.7 | -99.9 | 158 | -175 | -177.2 | 0 | 108.1 | ||||
| 348 | E | 43.3 | Very low | 43.9 | Very low | 190 Ų | 190 | 124.1 Ų | 124.1 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | 67.8 | 117.9 | 75.4 | -70.6 | -174.1 | 159 | 0 | 0 | 114.9 | |||||
| 349 | G | 38.3 | Very low | 44.4 | Very low | 86 Ų | 86 | 127 Ų | 127 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 148.5 | 106.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 350 | A | 39.3 | Very low | 44.7 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -120.2 | -165.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 351 | P | 52.6 | Low | 44.7 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | -130.1 | 168.8 | -96.9 | 39.5 | -22.7 | 0 | 0 | 0 | 116.7 | |||||
| 352 | D | 45.1 | Very low | 44 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -158.7 | 161.9 | 161.7 | -87.8 | -49.7 | 0 | 0 | 0 | 107.7 | ||||
| 353 | G | 40.2 | Very low | 43.8 | Very low | 64 Ų | 64 | 130.1 Ų | 130.1 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | cis | 178 | 169.6 | -3.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 354 | E | 40.8 | Very low | 44.1 | Very low | 194 Ų | 194 | 130.6 Ų | 130.6 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | 49.2 | 86 | 157.7 | -68.8 | 168.1 | 97.4 | 0 | 0 | 122.1 | ||||
| 355 | D | 50.7 | Low | 44.1 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 22.1 | 168.5 | 106.7 | -141.3 | 36.5 | 0 | 0 | 0 | 121.7 | |||||
| 356 | P | 48.7 | Very low | 43.9 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | -123.1 | 171.9 | -73.2 | 36.5 | -22.9 | 0 | 0 | 0 | 115.2 | |||||
| 357 | G | 43.4 | Very low | 43.2 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -159.3 | 107.2 | 172 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 358 | K | 49.9 | Very low | 42.6 | Very low | 195 Ų | 195 | 127 Ų | 127 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | 8.2 | 141.9 | 145.5 | -56.1 | 168.2 | -174.7 | 164 | 0 | 117.8 | ||||
| 359 | D | 49.1 | Very low | 42.2 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | -165.3 | -178.1 | 60.4 | -131.2 | -48.7 | 0 | 0 | 0 | 116.1 | |||||
| 360 | K | 46.2 | Very low | 42 | Very low | 201 Ų | 201 | 126.3 Ų | 126.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -92.2 | 153.9 | -164.4 | -64 | 163.9 | 175.8 | 168.4 | 0 | 116.3 | ||||
| 361 | G | 42.1 | Very low | 41.8 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 141.2 | 138.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 362 | G | 39.7 | Very low | 41.1 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | cis | 155.7 | 122.8 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 363 | K | 43.9 | Very low | 40.7 | Very low | 188 Ų | 188 | 124.7 Ų | 124.7 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 77.8 | 148.6 | 153 | -107.6 | 178.1 | -177 | 178 | 0 | 121.6 | ||||
| 364 | D | 44 | Very low | 40.4 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 58% | 0.583 | 81% | 0.809 | S | S | * | * | trans | 71.1 | 145.6 | 153.3 | -64.6 | -44.6 | 0 | 0 | 0 | 118 | ||||
| 365 | K | 40.1 | Very low | 40.3 | Very low | 185 Ų | 185 | 120.1 Ų | 120.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | cis | -174.6 | 146.1 | -28.1 | -122.3 | 176.7 | -162.3 | 151 | 0 | 109.5 | ||||
| 366 | G | 34.2 | Very low | 39.4 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 68.8 | 110.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 367 | G | 30.8 | Very low | 38.8 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 92% | 0.918 | 82% | 0.819 | S | S | * | * | 80.6 | 142.4 | 98.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 368 | G | 33 | Very low | 38.3 | Very low | 69 Ų | 69 | 120.3 Ų | 120.3 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 119 | 110.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 369 | L | 33.4 | Very low | 38 | Very low | 189 Ų | 189 | 121.2 Ų | 121.2 | 99% | 0.99 | 82% | 0.824 | S | S | * | * | 82.8 | 118.4 | 65.2 | -83 | 163.2 | 0 | 0 | 0 | 114.5 | |||||
| 370 | G | 34.2 | Very low | 37.3 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 139.7 | 114.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 371 | G | 35 | Very low | 37 | Very low | 82 Ų | 82 | 118.3 Ų | 118.3 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | cis | 84.7 | 129.6 | 32.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 372 | A | 38.9 | Very low | 36.8 | Very low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 83% | 0.831 | S | S | * | * | cis | -164.6 | -175.3 | 0.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 373 | L | 36.4 | Very low | 36.7 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 96% | 0.963 | 83% | 0.83 | S | S | * | * | trans | 69.9 | 138.5 | 171.6 | -51.8 | 119.8 | 0 | 0 | 0 | 115.6 | ||||
| 374 | G | 34.5 | Very low | 36.4 | Very low | 80 Ų | 80 | 119.6 Ų | 119.6 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | cis | 149.3 | 149.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 375 | G | 37.6 | Very low | 36.3 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | trans | 127.1 | 83.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 376 | L | 33.4 | Very low | 36.3 | Very low | 185 Ų | 185 | 119.9 Ų | 119.9 | 97% | 0.969 | 84% | 0.843 | S | S | * | * | trans | -85.8 | 146 | 163.3 | -123.8 | 82.4 | 0 | 0 | 0 | 110.5 | ||||
| 377 | G | 35.5 | Very low | 36.6 | Very low | 82 Ų | 82 | 120 Ų | 120 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | trans | 98.2 | 131.6 | 166 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 378 | G | 32.9 | Very low | 36.6 | Very low | 73 Ų | 73 | 121.2 Ų | 121.2 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | cis | 120.6 | 93.6 | 7.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 379 | K | 43.2 | Very low | 36.7 | Very low | 215 Ų | 215 | 121.8 Ų | 121.8 | 94% | 0.935 | 85% | 0.852 | S | S | * | * | trans | -175.5 | 122.2 | 156.5 | -104.3 | 156.3 | -172.1 | 177.7 | 0 | 108.5 | ||||
| 380 | G | 34.5 | Very low | 36.7 | Very low | 76 Ų | 76 | 116.3 Ų | 116.3 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | trans | -89.2 | 176.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 381 | K | 40.3 | Very low | 37 | Very low | 206 Ų | 206 | 121.1 Ų | 121.1 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | trans | -163.5 | 111.1 | 151.7 | -109.3 | 171.5 | -177.5 | -178.3 | 0 | 108.7 | P383 | K381-P383 WeakPolarHBondContact O-CD 3.37Š| ||
| 382 | L | 37.8 | Very low | 37.2 | Very low | 180 Ų | 180 | 122.5 Ų | 122.5 | 94% | 0.942 | 84% | 0.842 | S | S | * | * | trans | -87.3 | 129.2 | 164.2 | -99.8 | 153.9 | 0 | 0 | 0 | 108.6 | ||||
| 383 | P | 36.5 | Very low | 37.3 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 85% | 0.852 | S | S | * | * | trans | -137.9 | 132.2 | 150.5 | 34.6 | -19.7 | 0 | 0 | 0 | 113.4 | K381 | K381-P383 WeakPolarHBondContact O-CD 3.37Š| ||
| 384 | G | 37.9 | Very low | 37.4 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | trans | 96.7 | 93.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 385 | L | 42.7 | Very low | 37.4 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | trans | -80 | 136.6 | 145.4 | -86.9 | 87.3 | 0 | 0 | 0 | 109.3 | ||||
| 386 | P | 40 | Very low | 37.4 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | trans | -127 | 129.1 | 154.8 | 34.1 | -20.8 | 0 | 0 | 0 | 112.8 | ||||
| 387 | G | 39.1 | Very low | 37.9 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | 74.7 | 97.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 388 | A | 31.7 | Very low | 38.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 94% | 0.942 | 83% | 0.834 | S | S | * | * | trans | -66.1 | 137.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 389 | G | 34.5 | Very low | 38.9 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -174.7 | 125 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 390 | G | 34.2 | Very low | 38.7 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | trans | 101.2 | 62.6 | 162 | 0 | 0 | 0 | 0 | 0 | 117.4 | P392 | G390-P392 VanDerWaalsContact O-CD 3.3Å; G390-P392 WeakPolarHBondContact O-CD 3.46Å | ||
| 391 | L | 39.7 | Very low | 39 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.4 | 160.6 | -104.4 | 159.2 | 0 | 0 | 0 | 110.1 | ||
| 392 | P | 40.7 | Very low | 38.8 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 145.4 | 172.4 | -13.4 | 30.6 | 0 | 0 | 0 | 110.9 | G390 L394 | G390-P392 VanDerWaalsContact O-CD 3.3Å; G390-P392 WeakPolarHBondContact O-CD 3.46Å; P392-L394 PolarHBondContact O-N 3.07Å |
| 393 | K | 39.9 | Very low | 39.3 | Very low | 208 Ų | 208 | 128.2 Ų | 128.2 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 123 | 176.2 | -74 | 172.2 | 175.9 | 170.8 | 0 | 110.7 | ||
| 394 | L | 38.8 | Very low | 39.3 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 138.4 | 167.6 | -85.8 | 158.6 | 0 | 0 | 0 | 110.9 | P392 | P392-L394 PolarHBondContact O-N 3.07Š|
| 395 | P | 35 | Very low | 39.9 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.2 | 169.5 | -23.5 | 34.6 | 0 | 0 | 0 | 111.6 | M397 | P395-M397 PolarHBondContact O-N 3.32Š|
| 396 | G | 37.6 | Very low | 40 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 126.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 397 | M | 43.2 | Very low | 40.4 | Very low | 181 Ų | 181 | 127.2 Ų | 127.2 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60 | 137.3 | 163.8 | -76.3 | 179.4 | 164.3 | 0 | 0 | 110.4 | P395 K399 | P395-M397 PolarHBondContact O-N 3.32Å; M397-K399 PolarHBondContact O-N 3.26Å |
| 398 | P | 46.7 | Very low | 41 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 133.2 | 175 | 26.7 | -33.1 | 0 | 0 | 0 | 110.7 | L400 | P398-L400 PolarHBondContact O-N 3.25Å; P398-L400 VanDerWaalsContact O-N 3.16Å |
| 399 | K | 43.6 | Very low | 42.2 | Very low | 206 Ų | 206 | 130.6 Ų | 130.6 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -67.8 | 110.8 | 172.4 | -73.9 | 177.4 | 176.2 | 174.3 | 0 | 109.6 | M397 | M397-K399 PolarHBondContact O-N 3.26Š| ||
| 400 | L | 39.3 | Very low | 43 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 131.2 | 166.2 | -84.3 | 156.7 | 0 | 0 | 0 | 109.7 | P398 | P398-L400 PolarHBondContact O-N 3.25Å; P398-L400 VanDerWaalsContact O-N 3.16Å |
| 401 | P | 39.2 | Very low | 44 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 134.7 | -178.7 | 29 | -33.8 | 0 | 0 | 0 | 111 | I403 | P401-I403 PolarHBondContact O-N 2.81Š|
| 402 | G | 37 | Very low | 44.8 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 403 | I | 47.3 | Very low | 45.6 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | -101.5 | 112.6 | 174.4 | -60.6 | -180 | 0 | 0 | 0 | 109.2 | P401 G405 | P401-I403 PolarHBondContact O-N 2.81Å; I403-G405 PolarHBondContact O-N 2.59Å | ||
| 404 | P | 37.8 | Very low | 46.4 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | trans | -79.9 | 108.9 | 176.3 | 31.2 | -31.8 | 0 | 0 | 0 | 110.3 | ||||
| 405 | G | 49.3 | Very low | 47.4 | Very low | 51 Ų | 51 | 125.4 Ų | 125.4 | 53% | 0.526 | 73% | 0.728 | S | S | . | * | trans | -150 | -28.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 117 | I403 A407 | I403-G405 PolarHBondContact O-N 2.59Å; G405-A407 PolarHBondContact O-N 2.98Å; G405-A407 VanDerWaalsContact O-N 3.09Å | ||
| 406 | F | 45.4 | Very low | 48.6 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 83% | 0.833 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -69 | -11.6 | -169.7 | -98.6 | -89.6 | 0 | 0 | 0 | 116.3 | M408 | F406-M408 VanDerWaalsContact C-N 3.29Å; F406-M408 PolarHBondContact O-N 3.1Å |
| 407 | A | 47.7 | Very low | 49.5 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -72.6 | -12.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G405 | G405-A407 PolarHBondContact O-N 2.98Å; G405-A407 VanDerWaalsContact O-N 3.09Å |
| 408 | M | 52.7 | Low | 50.1 | Low | 163 Ų | 163 | 121.5 Ų | 121.5 | 80% | 0.803 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -101 | -5.6 | -172.8 | -69.5 | -129.8 | -111.8 | 0 | 0 | 116.1 | F406 P411 | F406-M408 VanDerWaalsContact C-N 3.29Å; F406-M408 PolarHBondContact O-N 3.1Å; M408-P411 WeakPolarHBondContact O-CD 3.4Å |
| 409 | I | 56.3 | Low | 50.6 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 52% | 0.518 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -89.5 | -28.7 | -173.6 | -67.6 | 174.2 | 0 | 0 | 0 | 113.2 | P411 L412 | I409-P411 VanDerWaalsContact C-CD 3.47Å; I409-L412 PolarHBondContact O-N 2.92Å; I409-L412 VanDerWaalsContact O-N 3.17Å |
| 410 | M | 51.3 | Low | 51.3 | Low | 150 Ų | 150 | 114.8 Ų | 114.8 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -51.3 | -43.2 | 179.5 | -90.2 | -67.2 | -161.4 | 0 | 0 | 116.4 | L412 | M410-L412 PolarHBondContact O-N 2.74Å |
| 411 | P | 54.6 | Low | 52.1 | Low | 85 Ų | 85 | 115.8 Ų | 115.8 | 55% | 0.552 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.3 | -8.3 | -177.3 | 28.5 | -35 | 0 | 0 | 0 | 114.7 | M408 I409 | M408-P411 WeakPolarHBondContact O-CD 3.4Å; I409-P411 VanDerWaalsContact C-CD 3.47Å |
| 412 | L | 56.7 | Low | 53.2 | Low | 117 Ų | 117 | 119.7 Ų | 119.7 | 61% | 0.613 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -83.5 | -38.3 | 179.4 | -117.9 | 156.9 | 0 | 0 | 0 | 112 | I409 M410 S414 K415 | I409-L412 PolarHBondContact O-N 2.92Å; I409-L412 VanDerWaalsContact O-N 3.17Å; M410-L412 PolarHBondContact O-N 2.74Å; L412-S414 VanDerWaalsContact C-N 3.35Å; L412-S414 PolarHBondContact O-N 2.95Å; L412-K415 PolarHBondContact O-N 3.11Å |
| 413 | I | 58.3 | Low | 54.2 | Low | 91 Ų | 91 | 122.8 Ų | 122.8 | 47% | 0.467 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -65.2 | -37.5 | -179.4 | -60.5 | 174.4 | 0 | 0 | 0 | 111.2 | K415 I416 L417 | I413-K415 PolarHBondContact O-N 3.19Å; I413-I416 PolarHBondContact O-N 3.05Å; I413-L417 HydrophobicContact CG2-CD1 4.1Å; I413-L417 PolarHBondContact O-N 3.04Å |
| 414 | S | 56.7 | Low | 55 | Low | 86 Ų | 86 | 124.9 Ų | 124.9 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.1 | -22.6 | 178 | -56.6 | 0 | 0 | 0 | 0 | 114.5 | L412 | L412-S414 VanDerWaalsContact C-N 3.35Å; L412-S414 PolarHBondContact O-N 2.95Å |
| 415 | K | 58.8 | Low | 55.9 | Low | 170 Ų | 170 | 124.5 Ų | 124.5 | 74% | 0.739 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -80.6 | -25.7 | 176.4 | -74.9 | -175.5 | 176.4 | 177.6 | 0 | 113.2 | L412 I413 | L412-K415 PolarHBondContact O-N 3.11Å; I413-K415 PolarHBondContact O-N 3.19Å |
| 416 | I | 61.8 | Low | 56.3 | Low | 117 Ų | 117 | 128.2 Ų | 128.2 | 60% | 0.6 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -80 | -30.8 | -179.9 | -60.6 | 174.4 | 0 | 0 | 0 | 111.2 | I413 P419 | I413-I416 PolarHBondContact O-N 3.05Å; I416-P419 WeakPolarHBondContact O-CD 3.48Å |
| 417 | L | 55.1 | Low | 56.8 | Low | 109 Ų | 109 | 124.9 Ų | 124.9 | 57% | 0.571 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -82.7 | -16.1 | -179.4 | -74.3 | 164.6 | 0 | 0 | 0 | 114.8 | I413 | I413-L417 HydrophobicContact CG2-CD1 4.1Å; I413-L417 PolarHBondContact O-N 3.04Å |
| 418 | A | 57.4 | Low | 57.4 | Low | 70 Ų | 70 | 126.3 Ų | 126.3 | 58% | 0.579 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -42.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 419 | P | 55.5 | Low | 57.6 | Low | 83 Ų | 83 | 124.2 Ų | 124.2 | 54% | 0.539 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -25.9 | -177.8 | 27.2 | -34.6 | 0 | 0 | 0 | 114.5 | I416 K421 K422 | I416-P419 WeakPolarHBondContact O-CD 3.48Å; P419-K421 VanDerWaalsContact C-N 3.26Å; P419-K421 PolarHBondContact O-N 2.7Å; P419-K422 PolarHBondContact O-N 3.18Å |
| 420 | I | 59.5 | Low | 57.7 | Low | 100 Ų | 100 | 125.6 Ų | 125.6 | 51% | 0.513 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -65.7 | -30.7 | -174.3 | -62.7 | 177.2 | 0 | 0 | 0 | 111.7 | K422 L423 | I420-K422 PolarHBondContact O-N 3.33Å; I420-K422 VanDerWaalsContact O-N 3.11Å; I420-L423 PolarHBondContact O-N 3.17Å |
| 421 | K | 55.6 | Low | 58.1 | Low | 187 Ų | 187 | 124 Ų | 124 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -70.2 | -6 | -179.7 | -148.7 | 174 | -174.1 | 177.4 | 0 | 114.4 | P419 | P419-K421 VanDerWaalsContact C-N 3.26Å; P419-K421 PolarHBondContact O-N 2.7Å |
| 422 | K | 61.6 | Low | 58.4 | Low | 187 Ų | 187 | 126.8 Ų | 126.8 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -97.5 | 3.2 | 177.9 | -116.5 | -176 | -178.9 | -175.1 | 0 | 114.6 | P419 I420 | P419-K422 PolarHBondContact O-N 3.18Å; I420-K422 PolarHBondContact O-N 3.33Å; I420-K422 VanDerWaalsContact O-N 3.11Å |
| 423 | L | 59 | Low | 58.5 | Low | 142 Ų | 142 | 127.5 Ų | 127.5 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -109.8 | -3.4 | 179.1 | -80.7 | 159.8 | 0 | 0 | 0 | 113.6 | I420 | I420-L423 PolarHBondContact O-N 3.17Š|
| 424 | F | 64.5 | Low | 58.5 | Low | 194 Ų | 194 | 130.6 Ų | 130.6 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | trans | -135.9 | 27.1 | -175.6 | -74.1 | -79.9 | 0 | 0 | 0 | 113.3 | ||||
| 425 | G | 57.2 | Low | 58.7 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 100% | 1.258 | 73% | 0.729 | S | S | * | * | trans | -165.5 | 0 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 425 of 425 residues in 90.7 ms
(Link to these results)