| 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 | 41.5 | Very low | 44.3 | Very low | 251 Ų | 251 | 164.9 Ų | 164.9 | 100% | 1.236 | 85% | 0.846 | S | S | * | * | 0 | 133.9 | 0 | -91.6 | 165.4 | 133.4 | 0 | 0 | 109 | |||||
| 2 | K | 44 | Very low | 44.2 | Very low | 184 Ų | 184 | 168.1 Ų | 168.1 | 80% | 0.8 | 84% | 0.842 | S | S | * | * | trans | -20 | 141 | 171.8 | -80.3 | 174.8 | 174.2 | 177.8 | 0 | 119.6 | ||||
| 3 | N | 43.2 | Very low | 44.5 | Very low | 145 Ų | 145 | 171.2 Ų | 171.2 | 78% | 0.775 | 84% | 0.84 | S | S | * | * | 67 | 122.6 | 129.9 | -57.3 | -2.4 | 0 | 0 | 0 | 119.2 | |||||
| 4 | A | 49.3 | Very low | 44.7 | Very low | 100 Ų | 100 | 166.9 Ų | 166.9 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | -176.6 | 134.1 | 88.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 5 | E | 43.9 | Very low | 45 | Very low | 194 Ų | 194 | 165.8 Ų | 165.8 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -65.8 | 144.2 | 170.3 | -61.8 | 164 | 129.8 | 0 | 0 | 110.9 | ||||
| 6 | S | 51.4 | Low | 45.3 | Very low | 113 Ų | 113 | 162.4 Ų | 162.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -138.8 | 95.4 | 154.4 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | K8 | S6-K8 PolarHBondContact O-N 3.25Š| ||
| 7 | R | 41.9 | Very low | 45.8 | Very low | 247 Ų | 247 | 164.7 Ų | 164.7 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -42.9 | 117 | 164.9 | -95.3 | 172.7 | 171.6 | 169.9 | -1.7 | 110.7 | ||||
| 8 | K | 42.4 | Very low | 46 | Very low | 200 Ų | 200 | 164.9 Ų | 164.9 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -102.9 | 107.1 | 154.5 | -78.4 | -176 | 178 | 179.1 | 0 | 107.2 | S6 S10 | S6-K8 PolarHBondContact O-N 3.25Å; K8-S10 PolarHBondContact O-N 3.22Å | ||
| 9 | S | 44.4 | Very low | 45.8 | Very low | 101 Ų | 101 | 166.8 Ų | 166.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -58.5 | 113.4 | 173.4 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | F11 | S9-F11 PolarHBondContact O-N 3.14Å; S9-F11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | S | 40.7 | Very low | 45.9 | Very low | 91 Ų | 91 | 164 Ų | 164 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -68.7 | 106.4 | 169.3 | 64.5 | 0 | 0 | 0 | 0 | 108.6 | K8 Y12 | K8-S10 PolarHBondContact O-N 3.22Å; S10-Y12 VanDerWaalsContact C-N 3.26Å; S10-Y12 PolarHBondContact O-N 2.89Å | ||
| 11 | F | 44.4 | Very low | 46.2 | Very low | 188 Ų | 188 | 160.2 Ų | 160.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -66.6 | 94.6 | 159.1 | -100.1 | -95.1 | 0 | 0 | 0 | 107 | S9 Y13 | S9-F11 PolarHBondContact O-N 3.14Å; S9-F11 VanDerWaalsContact O-N 3.14Å; F11-Y13 PolarHBondContact O-N 2.99Å | ||
| 12 | Y | 43.4 | Very low | 46.6 | Very low | 203 Ų | 203 | 156.4 Ų | 156.4 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -63.7 | 100.4 | 170.4 | -115.1 | -104.3 | 0 | 0 | 0 | 107.2 | S10 D14 | S10-Y12 VanDerWaalsContact C-N 3.26Å; S10-Y12 PolarHBondContact O-N 2.89Å; Y12-D14 PolarHBondContact O-N 2.96Å | ||
| 13 | Y | 48.1 | Very low | 47.5 | Very low | 209 Ų | 209 | 156.7 Ų | 156.7 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | -66.4 | 92 | 161.1 | -103.6 | -91 | 0 | 0 | 0 | 106.5 | F11 K15 | F11-Y13 PolarHBondContact O-N 2.99Å; Y13-K15 VanDerWaalsContact C-N 3.33Å; Y13-K15 PolarHBondContact O-N 3.27Å | ||
| 14 | D | 46.8 | Very low | 48.7 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | trans | -65.4 | 95.2 | 177.6 | -158.1 | -11.3 | 0 | 0 | 0 | 108.6 | Y12 D16 | Y12-D14 PolarHBondContact O-N 2.96Å; D14-D16 VanDerWaalsContact C-N 3.26Å; D14-D16 PolarHBondContact OD1-N 3.41Å | ||
| 15 | K | 49.6 | Very low | 50.2 | Low | 150 Ų | 150 | 155.5 Ų | 155.5 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | trans | -85.6 | 6 | 178.9 | -94.2 | -176 | -179.9 | 172.9 | 0 | 111.5 | Y13 F17 Y18 | Y13-K15 VanDerWaalsContact C-N 3.33Å; Y13-K15 PolarHBondContact O-N 3.27Å; K15-F17 VanDerWaalsContact C-N 3.34Å; K15-F17 PolarHBondContact O-N 2.95Å; K15-Y18 HydrophobicContact CB-CE1 4.16Å; K15-Y18 WeakPolarHBondContact O-CD1 2.85Å; K15-Y18 WeakPolarHBondContact O-CE1 2.89Å | ||
| 16 | D | 50.3 | Low | 52 | Low | 112 Ų | 112 | 154.5 Ų | 154.5 | 60% | 0.599 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -85.3 | 6.1 | -168.4 | -72.7 | -25.6 | 0 | 0 | 0 | 116.3 | D14 Y18 | D14-D16 VanDerWaalsContact C-N 3.26Å; D14-D16 PolarHBondContact OD1-N 3.41Å; D16-Y18 PolarHBondContact O-N 3.16Å; D16-Y18 VanDerWaalsContact O-N 3.16Å |
| 17 | F | 54.1 | Low | 53.5 | Low | 201 Ų | 201 | 154.2 Ų | 154.2 | 88% | 0.882 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -74.6 | 1.8 | 175.3 | -89.4 | -75.8 | 0 | 0 | 0 | 115.9 | K15 | K15-F17 VanDerWaalsContact C-N 3.34Å; K15-F17 PolarHBondContact O-N 2.95Å |
| 18 | Y | 48 | Very low | 55.6 | Low | 168 Ų | 168 | 147 Ų | 147 | 66% | 0.659 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -95.6 | 3.9 | 175.5 | 63.6 | -99.4 | 0 | 0 | 0 | 115.7 | K15 D16 | K15-Y18 HydrophobicContact CB-CE1 4.16Å; K15-Y18 WeakPolarHBondContact O-CD1 2.85Å; K15-Y18 WeakPolarHBondContact O-CE1 2.89Å; D16-Y18 PolarHBondContact O-N 3.16Å; D16-Y18 VanDerWaalsContact O-N 3.16Å |
| 19 | R | 43 | Very low | 57.8 | Low | 201 Ų | 201 | 140.3 Ų | 140.3 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | -106.1 | 68.6 | -179.6 | -81.2 | -172 | 172.3 | -172.3 | 0.1 | 114.4 | ||||
| 20 | T | 47.4 | Very low | 59.8 | Low | 111 Ų | 111 | 140.9 Ų | 140.9 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | trans | -148.8 | 86.9 | 146.4 | 39.2 | 0 | 0 | 0 | 0 | 110.3 | L22 R23 | T20-L22 VanDerWaalsContact C-N 3.31Å; T20-L22 PolarHBondContact O-N 2.82Å; T20-R23 PolarHBondContact O-N 3.22Å | ||
| 21 | G | 51.7 | Low | 62.2 | Low | 84 Ų | 84 | 142 Ų | 142 | 87% | 0.866 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 10.4 | -159.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 22 | L | 50.6 | Low | 64.4 | Low | 172 Ų | 172 | 137.6 Ų | 137.6 | 90% | 0.901 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | -10.2 | 175.6 | -134 | 75.1 | 0 | 0 | 0 | 113.8 | T20 | T20-L22 VanDerWaalsContact C-N 3.31Å; T20-L22 PolarHBondContact O-N 2.82Å |
| 23 | R | 63.6 | Low | 66.8 | Low | 190 Ų | 190 | 134.2 Ų | 134.2 | 72% | 0.717 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -15.4 | -177.8 | -158 | 170.5 | -177.4 | 168.4 | -0.5 | 113.3 | T20 K25 K26 L27 | T20-R23 PolarHBondContact O-N 3.22Å; R23-K25 PolarHBondContact O-N 3.46Å; R23-K26 PolarHBondContact O-N 3.4Å; R23-L27 WeakPolarHBondContact O-CB 3.47Å; R23-L27 PolarHBondContact O-N 2.95Å |
| 24 | G | 68.3 | Low | 69 | Low | 34 Ų | 34 | 128 Ų | 128 | 35% | 0.351 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -58.6 | -46.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K26 L27 I28 | G24-K26 PolarHBondContact O-N 3.01Å; G24-L27 PolarHBondContact O-N 2.98Å; G24-I28 WeakPolarHBondContact O-CB 3.34Å; G24-I28 WeakPolarHBondContact O-CD1 3.46Å; G24-I28 WeakPolarHBondContact O-CG1 3.47Å; G24-I28 PolarHBondContact O-N 3.48Å |
| 25 | K | 79.5 | Confident | 71.3 | Confident | 186 Ų | 186 | 125.3 Ų | 125.3 | 81% | 0.809 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.4 | -41.4 | -179.1 | -65.7 | -173.2 | -178.7 | -177.6 | 0 | 112.8 | R23 L27 I28 A29 | R23-K25 PolarHBondContact O-N 3.46Å; K25-L27 VanDerWaalsContact C-N 3.35Å; K25-I28 PolarHBondContact O-N 3.4Å; K25-A29 WeakPolarHBondContact O-CB 3.21Å; K25-A29 PolarHBondContact O-N 3.44Å |
| 26 | K | 82.2 | Confident | 73.5 | Confident | 173 Ų | 173 | 122.4 Ų | 122.4 | 75% | 0.752 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.4 | -37.9 | 175 | -71.1 | -173.4 | 177.5 | -177.8 | 0 | 111.5 | R23 G24 L30 | R23-K26 PolarHBondContact O-N 3.4Å; G24-K26 PolarHBondContact O-N 3.01Å; K26-L30 WeakPolarHBondContact O-CB 3.48Å; K26-L30 PolarHBondContact O-N 2.86Å |
| 27 | L | 82.3 | Confident | 75.6 | Confident | 106 Ų | 106 | 122 Ų | 122 | 56% | 0.555 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.3 | -41.5 | 176 | -174.5 | 140.7 | 0 | 0 | 0 | 111.8 | R23 G24 K25 L30 L31 | R23-L27 WeakPolarHBondContact O-CB 3.47Å; R23-L27 PolarHBondContact O-N 2.95Å; G24-L27 PolarHBondContact O-N 2.98Å; K25-L27 VanDerWaalsContact C-N 3.35Å; L27-L30 PolarHBondContact O-N 2.94Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 PolarHBondContact O-N 3.45Å |
| 28 | I | 87.8 | Confident | 77.6 | Confident | 97 Ų | 97 | 120.9 Ų | 120.9 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.8 | -44.4 | 175.3 | -67.7 | 161.5 | 0 | 0 | 0 | 110.6 | G24 K25 L30 L31 I32 | G24-I28 WeakPolarHBondContact O-CB 3.34Å; G24-I28 WeakPolarHBondContact O-CD1 3.46Å; G24-I28 WeakPolarHBondContact O-CG1 3.47Å; G24-I28 PolarHBondContact O-N 3.48Å; K25-I28 PolarHBondContact O-N 3.4Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 3.2Å; I28-L31 WeakPolarHBondContact O-CB 3.48Å; I28-L31 PolarHBondContact O-N 2.99Å; I28-I32 HydrophobicContact CG2-CD1 3.94Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 3.01Å |
| 29 | A | 86.6 | Confident | 79.9 | Confident | 59 Ų | 59 | 117.7 Ų | 117.7 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.6 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K25 I32 F33 | K25-A29 WeakPolarHBondContact O-CB 3.21Å; K25-A29 PolarHBondContact O-N 3.44Å; A29-I32 PolarHBondContact O-N 2.97Å; A29-F33 WeakPolarHBondContact O-CB 3.5Å; A29-F33 PolarHBondContact O-N 2.95Å |
| 30 | L | 88.3 | Confident | 82.5 | Confident | 113 Ų | 113 | 112 Ų | 112 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.4 | -42.5 | 174.6 | -172.4 | 154 | 0 | 0 | 0 | 111.3 | K26 L27 I28 I32 F33 V34 | K26-L30 WeakPolarHBondContact O-CB 3.48Å; K26-L30 PolarHBondContact O-N 2.86Å; L27-L30 PolarHBondContact O-N 2.94Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 3.2Å; L30-I32 PolarHBondContact O-N 3.44Å; L30-F33 PolarHBondContact O-N 3.34Å; L30-V34 HydrophobicContact CD2-CG2 3.82Å; L30-V34 WeakPolarHBondContact O-CG2 3.5Å; L30-V34 PolarHBondContact O-N 3.23Å |
| 31 | L | 89.5 | Confident | 84.8 | Confident | 114 Ų | 114 | 109.5 Ų | 109.5 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62 | -42.9 | 178.2 | -172 | 72.9 | 0 | 0 | 0 | 111.8 | L27 I28 V34 A35 | L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 PolarHBondContact O-N 3.45Å; I28-L31 WeakPolarHBondContact O-CB 3.48Å; I28-L31 PolarHBondContact O-N 2.99Å; L31-V34 PolarHBondContact O-N 3.4Å; L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.46Å |
| 32 | I | 91.9 | Very high | 87 | Confident | 96 Ų | 96 | 108.7 Ų | 108.7 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.4 | -44.4 | 174.9 | -67.1 | 165.5 | 0 | 0 | 0 | 110.3 | I28 A29 L30 V34 A35 I36 | I28-I32 HydrophobicContact CG2-CD1 3.94Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 3.01Å; A29-I32 PolarHBondContact O-N 2.97Å; L30-I32 PolarHBondContact O-N 3.44Å; I32-V34 PolarHBondContact O-N 3.44Å; I32-A35 WeakPolarHBondContact O-CB 3.43Å; I32-A35 PolarHBondContact O-N 3.26Å; I32-I36 HydrophobicContact CG2-CD1 3.99Å; I32-I36 WeakPolarHBondContact O-CG1 3.34Å; I32-I36 PolarHBondContact O-N 3Å |
| 33 | F | 93.7 | Very high | 89.1 | Confident | 131 Ų | 131 | 104.4 Ų | 104.4 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 177.6 | -177.4 | -102.3 | 0 | 0 | 0 | 112.2 | A29 L30 A35 I36 M37 | A29-F33 WeakPolarHBondContact O-CB 3.5Å; A29-F33 PolarHBondContact O-N 2.95Å; L30-F33 PolarHBondContact O-N 3.34Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 2.93Å; F33-I36 PolarHBondContact O-N 3.24Å; F33-M37 HydrophobicContact CD1-CG 4.24Å; F33-M37 HydrophobicContact CE1-CG 3.87Å; F33-M37 HydrophobicContact CE2-CG 4.46Å; F33-M37 HydrophobicContact CZ-CG 3.99Å; F33-M37 HydrophobicContact CZ-SD 4.11Å; F33-M37 WeakPolarHBondContact O-CG 3.37Å; F33-M37 PolarHBondContact O-N 3.41Å |
| 34 | V | 94 | Very high | 90.7 | Very high | 78 Ų | 78 | 100 Ų | 100 | 47% | 0.473 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L30 L31 I32 M37 W38 | L30-V34 HydrophobicContact CD2-CG2 3.82Å; L30-V34 WeakPolarHBondContact O-CG2 3.5Å; L30-V34 PolarHBondContact O-N 3.23Å; L31-V34 PolarHBondContact O-N 3.4Å; I32-V34 PolarHBondContact O-N 3.44Å; V34-M37 PolarHBondContact O-N 2.99Å; V34-W38 WeakPolarHBondContact O-CB 3.49Å; V34-W38 PolarHBondContact O-N 2.9Å |
| 35 | A | 94.5 | Very high | 92 | Very high | 55 Ų | 55 | 103.3 Ų | 103.3 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L31 I32 F33 W38 L39 | L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.46Å; I32-A35 WeakPolarHBondContact O-CB 3.43Å; I32-A35 PolarHBondContact O-N 3.26Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 2.93Å; A35-W38 PolarHBondContact O-N 3.46Å; A35-L39 WeakPolarHBondContact O-CB 3.46Å; A35-L39 PolarHBondContact O-N 2.88Å |
| 36 | I | 95.6 | Very high | 92.8 | Very high | 90 Ų | 90 | 99.4 Ų | 99.4 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 174.9 | -66.8 | 166.4 | 0 | 0 | 0 | 110.7 | I32 F33 W38 L39 L40 | I32-I36 HydrophobicContact CG2-CD1 3.99Å; I32-I36 WeakPolarHBondContact O-CG1 3.34Å; I32-I36 PolarHBondContact O-N 3Å; F33-I36 PolarHBondContact O-N 3.24Å; I36-W38 VanDerWaalsContact C-N 3.29Å; I36-W38 PolarHBondContact O-N 3.22Å; I36-L39 WeakPolarHBondContact O-CB 3.33Å; I36-L39 PolarHBondContact O-N 3.23Å; I36-L40 HydrophobicContact CG2-CD1 4.14Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 2.86Å |
| 37 | M | 95.2 | Very high | 93.4 | Very high | 102 Ų | 102 | 94.1 Ų | 94.1 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 177.1 | -70.4 | -63.9 | -70 | 0 | 0 | 111.9 | F33 V34 L40 A41 | F33-M37 HydrophobicContact CD1-CG 4.24Å; F33-M37 HydrophobicContact CE1-CG 3.87Å; F33-M37 HydrophobicContact CE2-CG 4.46Å; F33-M37 HydrophobicContact CZ-CG 3.99Å; F33-M37 HydrophobicContact CZ-SD 4.11Å; F33-M37 WeakPolarHBondContact O-CG 3.37Å; F33-M37 PolarHBondContact O-N 3.41Å; V34-M37 PolarHBondContact O-N 2.99Å; M37-L40 PolarHBondContact O-N 3.4Å; M37-L40 HydrophobicContact SD-CD1 4.47Å; M37-A41 WeakPolarHBondContact O-CB 3.34Å; M37-A41 PolarHBondContact O-N 3.27Å |
| 38 | W | 96.4 | Very high | 93.9 | Very high | 178 Ų | 178 | 93.7 Ų | 93.7 | 67% | 0.674 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -42.1 | 175.6 | -173.1 | 78.4 | 0 | 0 | 0 | 112.1 | V34 A35 I36 A41 I42 | V34-W38 WeakPolarHBondContact O-CB 3.49Å; V34-W38 PolarHBondContact O-N 2.9Å; A35-W38 PolarHBondContact O-N 3.46Å; I36-W38 VanDerWaalsContact C-N 3.29Å; I36-W38 PolarHBondContact O-N 3.22Å; W38-A41 PolarHBondContact O-N 3.36Å; W38-I42 HydrophobicContact CD2-CD1 3.67Å; W38-I42 HydrophobicContact CD2-CG1 4.48Å; W38-I42 HydrophobicContact CE3-CD1 3.51Å; W38-I42 HydrophobicContact CH2-CD1 3.35Å; W38-I42 HydrophobicContact CZ2-CD1 3.51Å; W38-I42 HydrophobicContact CZ3-CD1 3.35Å; W38-I42 WeakPolarHBondContact O-CG1 3.19Å; W38-I42 PolarHBondContact O-N 3.49Å |
| 39 | L | 96.6 | Very high | 94.1 | Very high | 101 Ų | 101 | 93 Ų | 93 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174 | -169.7 | 103.2 | 0 | 0 | 0 | 111.5 | A35 I36 A41 I42 I43 | A35-L39 WeakPolarHBondContact O-CB 3.46Å; A35-L39 PolarHBondContact O-N 2.88Å; I36-L39 WeakPolarHBondContact O-CB 3.33Å; I36-L39 PolarHBondContact O-N 3.23Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 2.93Å; L39-I42 PolarHBondContact O-N 2.96Å; L39-I43 HydrophobicContact CD2-CD1 3.96Å; L39-I43 HydrophobicContact CG-CD1 4.18Å; L39-I43 WeakPolarHBondContact O-CG1 3.33Å; L39-I43 PolarHBondContact O-N 3.28Å |
| 40 | L | 96.4 | Very high | 94.4 | Very high | 83 Ų | 83 | 94.2 Ų | 94.2 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 175.8 | -72.9 | 170.1 | 0 | 0 | 0 | 112 | I36 M37 I43 N44 | I36-L40 HydrophobicContact CG2-CD1 4.14Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 2.86Å; M37-L40 PolarHBondContact O-N 3.4Å; M37-L40 HydrophobicContact SD-CD1 4.47Å; L40-I43 PolarHBondContact O-N 3.46Å; L40-N44 WeakPolarHBondContact O-CB 3.46Å; L40-N44 PolarHBondContact O-N 3.49Å; L40-N44 PolarHBondContact O-ND2 2.85Å |
| 41 | A | 96.4 | Very high | 94.4 | Very high | 57 Ų | 57 | 93.5 Ų | 93.5 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M37 W38 L39 N44 L45 | M37-A41 WeakPolarHBondContact O-CB 3.34Å; M37-A41 PolarHBondContact O-N 3.27Å; W38-A41 PolarHBondContact O-N 3.36Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 2.93Å; A41-N44 PolarHBondContact O-N 3.23Å; A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.29Å |
| 42 | I | 96.6 | Very high | 94.2 | Very high | 68 Ų | 68 | 92.7 Ų | 92.7 | 35% | 0.349 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.3 | -69.7 | 170.7 | 0 | 0 | 0 | 111.1 | W38 L39 L45 L46 | W38-I42 HydrophobicContact CD2-CD1 3.67Å; W38-I42 HydrophobicContact CD2-CG1 4.48Å; W38-I42 HydrophobicContact CE3-CD1 3.51Å; W38-I42 HydrophobicContact CH2-CD1 3.35Å; W38-I42 HydrophobicContact CZ2-CD1 3.51Å; W38-I42 HydrophobicContact CZ3-CD1 3.35Å; W38-I42 WeakPolarHBondContact O-CG1 3.19Å; W38-I42 PolarHBondContact O-N 3.49Å; L39-I42 PolarHBondContact O-N 2.96Å; I42-L45 PolarHBondContact O-N 2.93Å; I42-L46 WeakPolarHBondContact O-CB 3.34Å; I42-L46 PolarHBondContact O-N 2.93Å |
| 43 | I | 96.6 | Very high | 93.9 | Very high | 81 Ų | 81 | 92.9 Ų | 92.9 | 42% | 0.415 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 177.3 | -67.9 | 166.4 | 0 | 0 | 0 | 110.2 | L39 L40 L45 L46 C47 | L39-I43 HydrophobicContact CD2-CD1 3.96Å; L39-I43 HydrophobicContact CG-CD1 4.18Å; L39-I43 WeakPolarHBondContact O-CG1 3.33Å; L39-I43 PolarHBondContact O-N 3.28Å; L40-I43 PolarHBondContact O-N 3.46Å; I43-L45 VanDerWaalsContact C-N 3.34Å; I43-L45 PolarHBondContact O-N 3.46Å; I43-L46 PolarHBondContact O-N 3.42Å; I43-C47 WeakPolarHBondContact O-CB 3.29Å; I43-C47 PolarHBondContact O-N 3.48Å; I43-C47 PolarHBondContact O-SG 2.87Å |
| 44 | N | 96.3 | Very high | 93.5 | Very high | 99 Ų | 99 | 94.5 Ų | 94.5 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.6 | -74.9 | -21.5 | 0 | 0 | 0 | 112.3 | L40 A41 C47 N48 | L40-N44 WeakPolarHBondContact O-CB 3.46Å; L40-N44 PolarHBondContact O-N 3.49Å; L40-N44 PolarHBondContact O-ND2 2.85Å; A41-N44 PolarHBondContact O-N 3.23Å; N44-C47 PolarHBondContact O-N 3.45Å; N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 VanDerWaalsContact O-CG 3.28Å; N44-N48 PolarHBondContact O-N 3.32Å; N44-N48 PolarHBondContact O-ND2 3.23Å |
| 45 | L | 96 | Very high | 92.8 | Very high | 103 Ų | 103 | 95.3 Ų | 95.3 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.2 | -179.3 | 66.7 | 0 | 0 | 0 | 111 | A41 I42 I43 N48 I49 | A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.29Å; I42-L45 PolarHBondContact O-N 2.93Å; I43-L45 VanDerWaalsContact C-N 3.34Å; I43-L45 PolarHBondContact O-N 3.46Å; L45-N48 PolarHBondContact O-N 3.28Å; L45-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CG-CD1 4.01Å; L45-I49 VanDerWaalsContact O-CG1 3.29Å; L45-I49 WeakPolarHBondContact O-CG1 3.35Å; L45-I49 PolarHBondContact O-N 2.88Å |
| 46 | L | 96.2 | Very high | 91.8 | Very high | 104 Ų | 104 | 98.5 Ų | 98.5 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 179.3 | -157 | 77.6 | 0 | 0 | 0 | 111.4 | I42 I43 N48 I49 L50 | I42-L46 WeakPolarHBondContact O-CB 3.34Å; I42-L46 PolarHBondContact O-N 2.93Å; I43-L46 PolarHBondContact O-N 3.42Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 3.42Å; L46-I49 PolarHBondContact O-N 3.36Å; L46-L50 WeakPolarHBondContact O-CB 3.29Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.98Å |
| 47 | C | 94.8 | Very high | 90.6 | Very high | 62 Ų | 62 | 98.2 Ų | 98.2 | 42% | 0.419 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 173.3 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | I43 N44 L50 L51 | I43-C47 WeakPolarHBondContact O-CB 3.29Å; I43-C47 PolarHBondContact O-N 3.48Å; I43-C47 PolarHBondContact O-SG 2.87Å; N44-C47 PolarHBondContact O-N 3.45Å; C47-L50 PolarHBondContact O-N 2.83Å; C47-L51 WeakPolarHBondContact O-CB 3.19Å; C47-L51 WeakPolarHBondContact O-CG 3.5Å; C47-L51 PolarHBondContact O-N 3.27Å |
| 48 | N | 92.3 | Very high | 89.2 | Confident | 97 Ų | 97 | 96.8 Ų | 96.8 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.8 | -75.6 | -23 | 0 | 0 | 0 | 112.1 | N44 L45 L46 L51 L52 | N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 VanDerWaalsContact O-CG 3.28Å; N44-N48 PolarHBondContact O-N 3.32Å; N44-N48 PolarHBondContact O-ND2 3.23Å; L45-N48 PolarHBondContact O-N 3.28Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 3.42Å; N48-L51 PolarHBondContact O-N 2.97Å; N48-L52 WeakPolarHBondContact O-CG 3.46Å; N48-L52 PolarHBondContact O-N 3.22Å |
| 49 | I | 92.4 | Very high | 87.7 | Confident | 83 Ų | 83 | 98.4 Ų | 98.4 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 174.8 | -68.1 | 165.6 | 0 | 0 | 0 | 110.5 | L45 L46 L51 L52 V53 | L45-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CG-CD1 4.01Å; L45-I49 VanDerWaalsContact O-CG1 3.29Å; L45-I49 WeakPolarHBondContact O-CG1 3.35Å; L45-I49 PolarHBondContact O-N 2.88Å; L46-I49 PolarHBondContact O-N 3.36Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 PolarHBondContact O-N 2.87Å; I49-L52 PolarHBondContact O-N 2.99Å; I49-V53 HydrophobicContact CG2-CG2 4.45Å; I49-V53 WeakPolarHBondContact O-CG2 3.36Å; I49-V53 PolarHBondContact O-N 3.47Å |
| 50 | L | 91.8 | Very high | 85.8 | Confident | 84 Ų | 84 | 101 Ų | 101 | 44% | 0.44 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 176.3 | -72.8 | 171.4 | 0 | 0 | 0 | 111.3 | L46 C47 L52 V53 F54 | L46-L50 WeakPolarHBondContact O-CB 3.29Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.98Å; C47-L50 PolarHBondContact O-N 2.83Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 3.48Å; L50-V53 PolarHBondContact O-N 3.39Å; L50-F54 HydrophobicContact CB-CD2 4.29Å; L50-F54 HydrophobicContact CB-CE2 4.46Å; L50-F54 HydrophobicContact CD2-CE2 4.21Å; L50-F54 WeakPolarHBondContact O-CB 3.34Å; L50-F54 WeakPolarHBondContact O-CD2 3.43Å; L50-F54 PolarHBondContact O-N 3.34Å |
| 51 | L | 89.1 | Confident | 83.9 | Confident | 98 Ų | 98 | 97.8 Ų | 97.8 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 175.3 | -75.3 | 174.7 | 0 | 0 | 0 | 111.7 | C47 N48 I49 V53 L55 | C47-L51 WeakPolarHBondContact O-CB 3.19Å; C47-L51 WeakPolarHBondContact O-CG 3.5Å; C47-L51 PolarHBondContact O-N 3.27Å; N48-L51 PolarHBondContact O-N 2.97Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 PolarHBondContact O-N 2.87Å; L51-V53 PolarHBondContact O-N 2.85Å; L51-L55 HydrophobicContact CB-CD1 4.42Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 WeakPolarHBondContact O-CD1 3.48Å; L51-L55 WeakPolarHBondContact O-CG 3.35Å; L51-L55 PolarHBondContact O-N 3.45Å |
| 52 | L | 86.5 | Confident | 82.4 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.1 | -73.6 | 169.2 | 0 | 0 | 0 | 112.4 | N48 I49 L50 K56 L57 | N48-L52 WeakPolarHBondContact O-CG 3.46Å; N48-L52 PolarHBondContact O-N 3.22Å; I49-L52 PolarHBondContact O-N 2.99Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 3.48Å; L52-K56 PolarHBondContact O-N 2.77Å; L52-K56 VanDerWaalsContact O-N 3.13Å; L52-L57 HydrophobicContact CD2-CB 4.15Å; L52-L57 PolarHBondContact O-N 3.19Å |
| 53 | V | 85 | Confident | 80.8 | Confident | 100 Ų | 100 | 101.3 Ų | 101.3 | 61% | 0.606 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.3 | -46.7 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | I49 L50 L51 K56 | I49-V53 HydrophobicContact CG2-CG2 4.45Å; I49-V53 WeakPolarHBondContact O-CG2 3.36Å; I49-V53 PolarHBondContact O-N 3.47Å; L50-V53 PolarHBondContact O-N 3.39Å; L51-V53 PolarHBondContact O-N 2.85Å; V53-K56 PolarHBondContact O-N 3.31Å |
| 54 | F | 84.3 | Confident | 79.4 | Confident | 165 Ų | 165 | 99.3 Ų | 99.3 | 72% | 0.724 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | -179.3 | -83.1 | -65.2 | 0 | 0 | 0 | 112.7 | L50 K56 | L50-F54 HydrophobicContact CB-CD2 4.29Å; L50-F54 HydrophobicContact CB-CE2 4.46Å; L50-F54 HydrophobicContact CD2-CE2 4.21Å; L50-F54 WeakPolarHBondContact O-CB 3.34Å; L50-F54 WeakPolarHBondContact O-CD2 3.43Å; L50-F54 PolarHBondContact O-N 3.34Å; F54-K56 PolarHBondContact O-N 2.95Å |
| 55 | L | 80.4 | Confident | 78.2 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -6.7 | 175.5 | -69.1 | 162.3 | 0 | 0 | 0 | 112.3 | L51 L57 | L51-L55 HydrophobicContact CB-CD1 4.42Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 WeakPolarHBondContact O-CD1 3.48Å; L51-L55 WeakPolarHBondContact O-CG 3.35Å; L51-L55 PolarHBondContact O-N 3.45Å; L55-L57 HydrophobicContact CB-CD1 3.59Å; L55-L57 HydrophobicContact CB-CG 3.73Å; L55-L57 HydrophobicContact CD1-CD1 3.76Å; L55-L57 HydrophobicContact CG-CD1 4.27Å; L55-L57 PolarHBondContact O-N 3.15Å; L55-L57 VanDerWaalsContact O-N 3.15Å |
| 56 | K | 73 | Confident | 77 | Confident | 122 Ų | 122 | 95.1 Ų | 95.1 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 39.8 | -175.4 | -66.1 | -176.2 | 161 | -158.3 | 0 | 112.3 | L52 V53 F54 S58 M62 E63 | L52-K56 PolarHBondContact O-N 2.77Å; L52-K56 VanDerWaalsContact O-N 3.13Å; V53-K56 PolarHBondContact O-N 3.31Å; F54-K56 PolarHBondContact O-N 2.95Å; K56-S58 PolarHBondContact O-N 3.32Å; K56-M62 WeakPolarHBondContact O-CA 3.49Å; K56-E63 IonicContact NZ-OE2 2.77Å; K56-E63 PolarHBondContact NZ-OE2 2.82Å |
| 57 | L | 70.5 | Confident | 76.1 | Confident | 84 Ų | 84 | 97 Ų | 97 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 104.4 | 179.7 | -72.8 | 162.6 | 0 | 0 | 0 | 108.7 | L52 L55 M62 | L52-L57 HydrophobicContact CD2-CB 4.15Å; L52-L57 PolarHBondContact O-N 3.19Å; L55-L57 HydrophobicContact CB-CD1 3.59Å; L55-L57 HydrophobicContact CB-CG 3.73Å; L55-L57 HydrophobicContact CD1-CD1 3.76Å; L55-L57 HydrophobicContact CG-CD1 4.27Å; L55-L57 PolarHBondContact O-N 3.15Å; L55-L57 VanDerWaalsContact O-N 3.15Å; L57-M62 HydrophobicContact CD2-CG 3.98Å |
| 58 | S | 66.2 | Low | 75.2 | Confident | 72 Ų | 72 | 95.4 Ų | 95.4 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 165.7 | 169.4 | 82.2 | 0 | 0 | 0 | 0 | 110.8 | K56 Q60 G61 | K56-S58 PolarHBondContact O-N 3.32Å; S58-Q60 PolarHBondContact O-N 3.19Å; S58-Q60 PolarHBondContact OG-N 3.03Å; S58-G61 WeakPolarHBondContact CA-O 3.38Å; S58-G61 WeakPolarHBondContact CB-O 3.42Å; S58-G61 PolarHBondContact N-O 2.77Å; S58-G61 PolarHBondContact O-N 3.33Å; S58-G61 PolarHBondContact OG-N 3.13Å; S58-G61 PolarHBondContact OG-O 3.48Å |
| 59 | Q | 65.2 | Low | 74.4 | Confident | 212 Ų | 212 | 98 Ų | 98 | 99% | 0.991 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -17.4 | 172.7 | -85.4 | -176.3 | -11.7 | 0 | 0 | 113.6 | ||
| 60 | Q | 55.8 | Low | 73.4 | Confident | 155 Ų | 155 | 97.4 Ų | 97.4 | 72% | 0.724 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 0.8 | 178.4 | -68.2 | 176.4 | -12.1 | 0 | 0 | 113.4 | S58 | S58-Q60 PolarHBondContact O-N 3.19Å; S58-Q60 PolarHBondContact OG-N 3.03Å |
| 61 | G | 56.7 | Low | 72.4 | Confident | 15 Ų | 15 | 101 Ų | 101 | 16% | 0.155 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.1 | -171.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S58 | S58-G61 WeakPolarHBondContact CA-O 3.38Å; S58-G61 WeakPolarHBondContact CB-O 3.42Å; S58-G61 PolarHBondContact N-O 2.77Å; S58-G61 PolarHBondContact O-N 3.33Å; S58-G61 PolarHBondContact OG-N 3.13Å; S58-G61 PolarHBondContact OG-O 3.48Å |
| 62 | M | 65 | Low | 71.4 | Confident | 78 Ų | 78 | 102.4 Ų | 102.4 | 38% | 0.384 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 141.9 | 169.5 | -70 | 172.4 | 58.8 | 0 | 0 | 108.7 | K56 L57 S64 L65 | K56-M62 WeakPolarHBondContact O-CA 3.49Å; L57-M62 HydrophobicContact CD2-CG 3.98Å; M62-S64 PolarHBondContact O-N 2.87Å; M62-L65 HydrophobicContact CB-CB 4.29Å; M62-L65 CarbonylContact O-C 3.4Å; M62-L65 PolarHBondContact O-N 2.93Å; M62-L65 HydrophobicContact SD-CD1 4.1Å |
| 63 | E | 63 | Low | 70.7 | Confident | 121 Ų | 121 | 99.8 Ų | 99.8 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -29.1 | 177.2 | -171.7 | -178.6 | -172.3 | 0 | 0 | 113 | K56 H66 A80 | K56-E63 IonicContact NZ-OE2 2.77Å; K56-E63 PolarHBondContact NZ-OE2 2.82Å; E63-H66 PolarHBondContact O-CE1 3Å; E63-A80 WeakPolarHBondContact O-CB 3.42Å |
| 64 | S | 66.3 | Low | 70.2 | Confident | 40 Ų | 40 | 99.5 Ų | 99.5 | 28% | 0.28 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -13 | 177.5 | 56.3 | 0 | 0 | 0 | 0 | 115.7 | M62 F79 A80 P81 | M62-S64 PolarHBondContact O-N 2.87Å; S64-F79 WeakPolarHBondContact O-CA 3.39Å; S64-A80 PolarHBondContact O-N 3.27Å; S64-P81 WeakPolarHBondContact O-CD 3.41Å |
| 65 | L | 72.3 | Confident | 69.8 | Low | 39 Ų | 39 | 96.6 Ų | 96.6 | 20% | 0.204 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 103.6 | -173 | -66.7 | 171.6 | 0 | 0 | 0 | 110.3 | M62 V77 Q78 F79 | M62-L65 HydrophobicContact CB-CB 4.29Å; M62-L65 CarbonylContact O-C 3.4Å; M62-L65 PolarHBondContact O-N 2.93Å; M62-L65 HydrophobicContact SD-CD1 4.1Å; L65-V77 HydrophobicContact CD2-CG1 3.88Å; L65-Q78 CarbonylContact C-O 3.6Å; L65-Q78 WeakPolarHBondContact CA-O 3.49Å; L65-F79 HydrophobicContact CD2-CD1 3.38Å; L65-F79 HydrophobicContact CD2-CE1 3.29Å; L65-F79 HydrophobicContact CD2-CG 4.27Å; L65-F79 HydrophobicContact CD2-CZ 4.1Å |
| 66 | H | 70.7 | Confident | 69.6 | Low | 74 Ų | 74 | 94.7 Ų | 94.7 | 34% | 0.343 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.9 | 173.5 | -72.3 | 62.2 | 0 | 0 | 0 | 109.5 | E63 Q78 | E63-H66 PolarHBondContact O-CE1 3Å; H66-Q78 HydrophobicContact CB-CB 4.1Å; H66-Q78 HydrophobicContact CB-CG 4.48Å; H66-Q78 PolarHBondContact N-O 3.06Å; H66-Q78 PolarHBondContact O-N 3.28Å |
| 67 | F | 76.7 | Confident | 69.9 | Low | 143 Ų | 143 | 92.5 Ų | 92.5 | 63% | 0.627 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 108.6 | 171.8 | -62.2 | -84.7 | 0 | 0 | 0 | 108 | V77 | F67-V77 HydrophobicContact CD1-CG2 3.8Å; F67-V77 HydrophobicContact CE1-CG1 4.22Å; F67-V77 HydrophobicContact CE1-CG2 3.72Å |
| 68 | G | 75.8 | Confident | 70.1 | Confident | 29 Ų | 29 | 92 Ų | 92 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 179.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V76 | G68-V76 PolarHBondContact N-O 3.37Å; G68-V76 PolarHBondContact O-N 2.79Å |
| 69 | Q | 75.6 | Confident | 70.7 | Confident | 153 Ų | 153 | 92.4 Ų | 92.4 | 72% | 0.715 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.2 | 163.2 | -69.2 | -178.5 | 7.4 | 0 | 0 | 108.5 | D74 | Q69-D74 VanDerWaalsContact CA-O 3.3Å; Q69-D74 WeakPolarHBondContact CA-O 3.4Å |
| 70 | D | 71.6 | Confident | 70.8 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | trans | -68.1 | 170 | 168.5 | -176 | 28.1 | 0 | 0 | 0 | 110.5 | N72 G73 D74 V76 | D70-N72 PolarHBondContact O-N 3.03Å; D70-N72 PolarHBondContact OD2-ND2 3.28Å; D70-G73 PolarHBondContact O-N 2.83Å; D70-D74 PolarHBondContact N-O 2.7Å; D70-V76 HydrophobicContact CB-CG1 3.91Å | ||
| 71 | D | 69.7 | Low | 71.3 | Confident | 160 Ų | 160 | 79.7 Ų | 79.7 | 86% | 0.856 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -25.4 | 174.2 | -69.2 | -26.3 | 0 | 0 | 0 | 112.6 | ||
| 72 | N | 69.5 | Low | 71.7 | Confident | 127 Ų | 127 | 84.3 Ų | 84.3 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.7 | 178.5 | -59.6 | -58.2 | 0 | 0 | 0 | 114.3 | D70 D74 | D70-N72 PolarHBondContact O-N 3.03Å; D70-N72 PolarHBondContact OD2-ND2 3.28Å; N72-D74 VanDerWaalsContact C-N 3.32Å |
| 73 | G | 72 | Confident | 71.8 | Confident | 41 Ų | 41 | 87.5 Ų | 87.5 | 42% | 0.423 | 50% | 0.496 | S | S | . | . | S | Bend | trans | 80.7 | 5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D70 | D70-G73 PolarHBondContact O-N 2.83Š|
| 74 | D | 75 | Confident | 72.3 | Confident | 93 Ų | 93 | 84.5 Ų | 84.5 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | trans | -76.1 | 136.9 | 178 | -77.8 | -32.1 | 0 | 0 | 0 | 111 | Q69 D70 N72 V76 | Q69-D74 VanDerWaalsContact CA-O 3.3Å; Q69-D74 WeakPolarHBondContact CA-O 3.4Å; D70-D74 PolarHBondContact N-O 2.7Å; N72-D74 VanDerWaalsContact C-N 3.32Å; D74-V76 PolarHBondContact O-N 2.91Å | ||
| 75 | S | 75.5 | Confident | 72.5 | Confident | 105 Ų | 105 | 92.2 Ų | 92.2 | 73% | 0.734 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 117.4 | 177.2 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 76 | V | 76.5 | Confident | 72.6 | Confident | 56 Ų | 56 | 94.3 Ų | 94.3 | 34% | 0.339 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 142.5 | 178.1 | -67.7 | 0 | 0 | 0 | 0 | 110.8 | G68 D70 D74 | G68-V76 PolarHBondContact N-O 3.37Å; G68-V76 PolarHBondContact O-N 2.79Å; D70-V76 HydrophobicContact CB-CG1 3.91Å; D74-V76 PolarHBondContact O-N 2.91Å |
| 77 | V | 78.3 | Confident | 72.6 | Confident | 75 Ų | 75 | 100.5 Ų | 100.5 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 114 | 171.4 | -175.7 | 0 | 0 | 0 | 0 | 107 | L65 F67 | L65-V77 HydrophobicContact CD2-CG1 3.88Å; F67-V77 HydrophobicContact CD1-CG2 3.8Å; F67-V77 HydrophobicContact CE1-CG1 4.22Å; F67-V77 HydrophobicContact CE1-CG2 3.72Å |
| 78 | Q | 75.2 | Confident | 72.3 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 35% | 0.35 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.3 | 179.9 | 174.9 | -174 | -4.8 | 0 | 0 | 109 | L65 H66 Y99 | L65-Q78 CarbonylContact C-O 3.6Å; L65-Q78 WeakPolarHBondContact CA-O 3.49Å; H66-Q78 HydrophobicContact CB-CB 4.1Å; H66-Q78 HydrophobicContact CB-CG 4.48Å; H66-Q78 PolarHBondContact N-O 3.06Å; H66-Q78 PolarHBondContact O-N 3.28Å; Q78-Y99 PolarHBondContact NE2-OH 3.29Å |
| 79 | F | 77.6 | Confident | 72.1 | Confident | 80 Ų | 80 | 103.9 Ų | 103.9 | 35% | 0.351 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 115.2 | 169.7 | -62.7 | -86.5 | 0 | 0 | 0 | 108 | S64 L65 P81 T84 L86 | S64-F79 WeakPolarHBondContact O-CA 3.39Å; L65-F79 HydrophobicContact CD2-CD1 3.38Å; L65-F79 HydrophobicContact CD2-CE1 3.29Å; L65-F79 HydrophobicContact CD2-CG 4.27Å; L65-F79 HydrophobicContact CD2-CZ 4.1Å; F79-P81 VanDerWaalsContact C-CD 3.49Å; F79-T84 HydrophobicContact CB-CG2 3.84Å; F79-T84 HydrophobicContact CD1-CG2 4.08Å; F79-T84 HydrophobicContact CG-CG2 4.27Å; F79-L86 HydrophobicContact CD1-CD1 4.43Å; F79-L86 HydrophobicContact CE1-CD1 3.8Å; F79-L86 HydrophobicContact CE1-CD2 3.97Å; F79-L86 HydrophobicContact CE1-CG 4.48Å; F79-L86 HydrophobicContact CE2-CD1 3.99Å; F79-L86 HydrophobicContact CZ-CD1 3.57Å; F79-L86 HydrophobicContact CZ-CD2 4.37Å |
| 80 | A | 67.7 | Low | 71.8 | Confident | 47 Ų | 47 | 101.9 Ų | 101.9 | 39% | 0.388 | 56% | 0.564 | S | S | . | * | trans | -75.6 | -30.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E63 S64 | E63-A80 WeakPolarHBondContact O-CB 3.42Å; S64-A80 PolarHBondContact O-N 3.27Å | ||
| 81 | P | 67 | Low | 71.8 | Confident | 53 Ų | 53 | 100.6 Ų | 100.6 | 34% | 0.344 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -65.2 | 144.5 | 178.8 | -18.8 | 31.7 | 0 | 0 | 0 | 111.6 | S64 F79 E83 T84 | S64-P81 WeakPolarHBondContact O-CD 3.41Å; F79-P81 VanDerWaalsContact C-CD 3.49Å; P81-E83 PolarHBondContact O-N 2.94Å; P81-T84 HydrophobicContact CB-CG2 3.75Å; P81-T84 HydrophobicContact CG-CG2 3.69Å |
| 82 | A | 65.1 | Low | 71.6 | Confident | 112 Ų | 112 | 105.2 Ų | 105.2 | 93% | 0.926 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -59.8 | -30.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 83 | E | 67.5 | Low | 71.3 | Confident | 144 Ų | 144 | 103 Ų | 103 | 67% | 0.673 | 56% | 0.557 | S | S | * | * | trans | -132.7 | 121.9 | 177.3 | -67.4 | 172.4 | -166.2 | 0 | 0 | 109 | P81 | P81-E83 PolarHBondContact O-N 2.94Š| ||
| 84 | T | 72.2 | Confident | 70.9 | Confident | 58 Ų | 58 | 102.3 Ų | 102.3 | 36% | 0.356 | 55% | 0.55 | S | S | . | * | trans | -124.3 | 117.5 | 173.1 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | F79 P81 | F79-T84 HydrophobicContact CB-CG2 3.84Å; F79-T84 HydrophobicContact CD1-CG2 4.08Å; F79-T84 HydrophobicContact CG-CG2 4.27Å; P81-T84 HydrophobicContact CB-CG2 3.75Å; P81-T84 HydrophobicContact CG-CG2 3.69Å | ||
| 85 | Y | 71.1 | Confident | 70.5 | Confident | 202 Ų | 202 | 102.1 Ų | 102.1 | 79% | 0.792 | 55% | 0.553 | S | S | * | * | trans | -85.9 | 113.4 | 172.4 | -62.1 | -78.4 | 0 | 0 | 0 | 109.3 | ||||
| 86 | L | 74 | Confident | 70.5 | Confident | 83 Ų | 83 | 101.1 Ų | 101.1 | 44% | 0.435 | 54% | 0.542 | S | S | . | . | trans | -120.3 | 119.3 | 177.8 | -60.3 | 170 | 0 | 0 | 0 | 108.1 | F79 H88 V89 | F79-L86 HydrophobicContact CD1-CD1 4.43Å; F79-L86 HydrophobicContact CE1-CD1 3.8Å; F79-L86 HydrophobicContact CE1-CD2 3.97Å; F79-L86 HydrophobicContact CE1-CG 4.48Å; F79-L86 HydrophobicContact CE2-CD1 3.99Å; F79-L86 HydrophobicContact CZ-CD1 3.57Å; F79-L86 HydrophobicContact CZ-CD2 4.37Å; L86-H88 VanDerWaalsContact C-N 3.34Å; L86-V89 HydrophobicContact CB-CG2 3.51Å; L86-V89 HydrophobicContact CD1-CG2 3.51Å; L86-V89 HydrophobicContact CG-CG2 4.13Å | ||
| 87 | E | 71 | Confident | 70.3 | Confident | 204 Ų | 204 | 101.1 Ų | 101.1 | 95% | 0.953 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -66.3 | -38 | 178.5 | -174.1 | -179.8 | 177.4 | 0 | 0 | 111.6 | ||
| 88 | H | 70.7 | Confident | 70.1 | Confident | 157 Ų | 157 | 99.6 Ų | 99.6 | 73% | 0.727 | 55% | 0.553 | S | S | * | * | trans | -148.5 | 123 | -179.8 | -172.4 | -112.6 | 0 | 0 | 0 | 111.3 | L86 V90 | L86-H88 VanDerWaalsContact C-N 3.34Å; H88-V90 WeakPolarHBondContact CE1-CG2 3.49Å; H88-V90 WeakPolarHBondContact ND1-CG2 3.3Å | ||
| 89 | V | 71.3 | Confident | 69.9 | Low | 86 Ų | 86 | 102.3 Ų | 102.3 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | trans | -113.8 | 117.9 | 179.2 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | L86 | L86-V89 HydrophobicContact CB-CG2 3.51Å; L86-V89 HydrophobicContact CD1-CG2 3.51Å; L86-V89 HydrophobicContact CG-CG2 4.13Å | ||
| 90 | V | 70.5 | Confident | 69.7 | Low | 111 Ų | 111 | 107.7 Ų | 107.7 | 67% | 0.673 | 59% | 0.587 | S | S | * | * | trans | -118.6 | 111 | 173.4 | -174.2 | 0 | 0 | 0 | 0 | 109 | H88 | H88-V90 WeakPolarHBondContact CE1-CG2 3.49Å; H88-V90 WeakPolarHBondContact ND1-CG2 3.3Å | ||
| 91 | S | 70 | Confident | 69.8 | Low | 43 Ų | 43 | 109.5 Ų | 109.5 | 30% | 0.301 | 61% | 0.61 | S | S | . | * | trans | -91.7 | 129.2 | 171.9 | 174 | 0 | 0 | 0 | 0 | 110.2 | T93 G94 T95 | S91-T93 VanDerWaalsContact C-N 3.33Å; S91-T93 PolarHBondContact OG-N 3.22Å; S91-T93 PolarHBondContact OG-OG1 3.13Å; S91-G94 PolarHBondContact O-N 3.13Å; S91-G94 PolarHBondContact OG-N 2.88Å; S91-G94 VanDerWaalsContact OG-N 3.13Å; S91-T95 PolarHBondContact OG-N 3.4Å; S91-T95 PolarHBondContact OG-O 3.3Å; S91-T95 VanDerWaalsContact OG-O 3.13Å | ||
| 92 | R | 65.1 | Low | 70.1 | Confident | 257 Ų | 257 | 110.9 Ų | 110.9 | 97% | 0.97 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -67.4 | -35.2 | 174 | -173.1 | 179.7 | -178.2 | -174.6 | 0.8 | 111.9 | G94 | R92-G94 VanDerWaalsContact C-N 3.29Š|
| 93 | T | 63.5 | Low | 70.2 | Confident | 81 Ų | 81 | 110.3 Ų | 110.3 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -77.6 | -18.9 | 176.8 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | S91 T95 | S91-T93 VanDerWaalsContact C-N 3.33Å; S91-T93 PolarHBondContact OG-N 3.22Å; S91-T93 PolarHBondContact OG-OG1 3.13Å; T93-T95 PolarHBondContact O-N 2.82Å; T93-T95 PolarHBondContact OG1-N 2.76Å; T93-T95 PolarHBondContact OG1-OG1 2.96Å |
| 94 | G | 65.3 | Low | 70.6 | Confident | 27 Ų | 27 | 107.5 Ų | 107.5 | 28% | 0.278 | 59% | 0.594 | S | S | . | * | trans | 72.8 | 12.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | S91 R92 | S91-G94 PolarHBondContact O-N 3.13Å; S91-G94 PolarHBondContact OG-N 2.88Å; S91-G94 VanDerWaalsContact OG-N 3.13Å; R92-G94 VanDerWaalsContact C-N 3.29Å | ||
| 95 | T | 66 | Low | 70.4 | Confident | 89 Ų | 89 | 111.3 Ų | 111.3 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | trans | -106.8 | 134.3 | 177.4 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | S91 T93 | S91-T95 PolarHBondContact OG-N 3.4Å; S91-T95 PolarHBondContact OG-O 3.3Å; S91-T95 VanDerWaalsContact OG-O 3.13Å; T93-T95 PolarHBondContact O-N 2.82Å; T93-T95 PolarHBondContact OG1-N 2.76Å; T93-T95 PolarHBondContact OG1-OG1 2.96Å | ||
| 96 | V | 74 | Confident | 70.4 | Confident | 83 Ų | 83 | 106.5 Ų | 106.5 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | trans | -131.4 | 134.1 | 168.2 | -175.8 | 0 | 0 | 0 | 0 | 105.9 | L104 | V96-L104 HydrophobicContact CG1-CD2 4.11Š| ||
| 97 | G | 73.1 | Confident | 70.1 | Confident | 56 Ų | 56 | 111.5 Ų | 111.5 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | trans | -156.8 | 150.2 | -175 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 98 | G | 74.6 | Confident | 69.9 | Low | 44 Ų | 44 | 104.7 Ų | 104.7 | 45% | 0.454 | 60% | 0.599 | S | S | . | * | trans | -93.2 | -175.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 99 | Y | 71.4 | Confident | 69.6 | Low | 131 Ų | 131 | 105.2 Ų | 105.2 | 51% | 0.514 | 60% | 0.602 | S | S | . | * | trans | -65.2 | 152.7 | 175.4 | -59.6 | -82.7 | 0 | 0 | 0 | 112 | Q78 G101 T102 | Q78-Y99 PolarHBondContact NE2-OH 3.29Å; Y99-G101 PolarHBondContact O-N 2.99Å; Y99-T102 PolarHBondContact O-N 2.97Å | ||
| 100 | Q | 72 | Confident | 68.8 | Low | 193 Ų | 193 | 110 Ų | 110 | 90% | 0.902 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 128 | 174.9 | -170.2 | 179.3 | 23.2 | 0 | 0 | 110.6 | T102 | Q100-T102 PolarHBondContact O-N 2.93Š|
| 101 | G | 70.2 | Confident | 68.3 | Low | 85 Ų | 85 | 106 Ų | 106 | 88% | 0.876 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.9 | 1.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y99 | Y99-G101 PolarHBondContact O-N 2.99Š|
| 102 | T | 72.6 | Confident | 67.6 | Low | 83 Ų | 83 | 107.5 Ų | 107.5 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -108.5 | 131.1 | 175.9 | -49.8 | 0 | 0 | 0 | 0 | 109.6 | Y99 Q100 | Y99-T102 PolarHBondContact O-N 2.97Å; Q100-T102 PolarHBondContact O-N 2.93Å |
| 103 | P | 67.7 | Low | 67.2 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | trans | -62.1 | 139.5 | 174 | 26.9 | -33.4 | 0 | 0 | 0 | 110.3 | ||||
| 104 | L | 75.8 | Confident | 67 | Low | 84 Ų | 84 | 101.5 Ų | 101.5 | 44% | 0.44 | 58% | 0.577 | S | S | . | * | trans | -98.3 | 103.3 | 170.9 | 176.4 | 69.5 | 0 | 0 | 0 | 108 | V96 I106 | V96-L104 HydrophobicContact CG1-CD2 4.11Å; L104-I106 HydrophobicContact CD2-CD1 3.92Å; L104-I106 HydrophobicContact CD2-CG1 4.18Å; L104-I106 HydrophobicContact CG-CD1 4.28Å; L104-I106 HydrophobicContact CG-CG1 3.98Å | ||
| 105 | D | 68.4 | Low | 66.6 | Low | 138 Ų | 138 | 102.7 Ų | 102.7 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | trans | -89.3 | 119.7 | 175.8 | -66.2 | -30 | 0 | 0 | 0 | 109.4 | ||||
| 106 | I | 72.4 | Confident | 66 | Low | 101 Ų | 101 | 106.5 Ų | 106.5 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | trans | -114.9 | 106.4 | 177 | -56.3 | 177.6 | 0 | 0 | 0 | 107.3 | L104 V111 | L104-I106 HydrophobicContact CD2-CD1 3.92Å; L104-I106 HydrophobicContact CD2-CG1 4.18Å; L104-I106 HydrophobicContact CG-CD1 4.28Å; L104-I106 HydrophobicContact CG-CG1 3.98Å; I106-V111 HydrophobicContact CG2-CG2 4.08Å | ||
| 107 | E | 67.2 | Low | 64.8 | Low | 188 Ų | 188 | 106 Ų | 106 | 88% | 0.879 | 58% | 0.581 | S | S | * | * | trans | -95 | 116.6 | 170.7 | -65.3 | -172.2 | 174.8 | 0 | 0 | 109.5 | ||||
| 108 | A | 66.8 | Low | 63.7 | Low | 61 Ų | 61 | 111.7 Ų | 111.7 | 50% | 0.504 | 59% | 0.59 | S | S | . | * | trans | -154.7 | 146.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R110 V111 | A108-R110 PolarHBondContact O-N 2.84Å; A108-V111 HydrophobicContact CB-CG2 3.62Å | ||
| 109 | E | 64.2 | Low | 62.4 | Low | 168 Ų | 168 | 113.1 Ų | 113.1 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -62 | -33.9 | 175.6 | -171.6 | -176.1 | 167 | 0 | 0 | 111.5 | ||
| 110 | R | 54.8 | Low | 61.5 | Low | 186 Ų | 186 | 112.5 Ų | 112.5 | 70% | 0.702 | 60% | 0.598 | S | S | * | * | trans | -144.9 | 116.9 | 173.6 | -67.6 | -176.5 | 176.8 | 155.4 | 3.3 | 110.4 | A108 | A108-R110 PolarHBondContact O-N 2.84Š| ||
| 111 | V | 58.5 | Low | 60.2 | Low | 27 Ų | 27 | 110.8 Ų | 110.8 | 16% | 0.164 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.5 | 171.6 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | I106 A108 V141 L142 | I106-V111 HydrophobicContact CG2-CG2 4.08Å; A108-V111 HydrophobicContact CB-CG2 3.62Å; V111-V141 CarbonylContact O-C 3.59Å; V111-V141 VanDerWaalsContact O-CA 3.29Å; V111-V141 WeakPolarHBondContact O-CA 3.29Å; V111-L142 HydrophobicContact CB-CB 4.21Å; V111-L142 HydrophobicContact CB-CD1 4.22Å; V111-L142 HydrophobicContact CG1-CD1 4.25Å; V111-L142 PolarHBondContact N-O 3.35Å; V111-L142 PolarHBondContact O-N 3.25Å |
| 112 | C | 55.2 | Low | 59.3 | Low | 75 Ų | 75 | 111 Ų | 111 | 51% | 0.507 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 99.9 | 172.8 | -176 | 0 | 0 | 0 | 0 | 109.8 | V140 | C112-V140 WeakPolarHBondContact CA-O 3.03Å |
| 113 | C | 58.4 | Low | 58.5 | Low | 63 Ų | 63 | 114.9 Ų | 114.9 | 43% | 0.426 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 109 | 175.1 | -61.6 | 0 | 0 | 0 | 0 | 109.6 | Y115 S139 V140 | C113-Y115 PolarHBondContact O-N 2.8Å; C113-S139 VanDerWaalsContact O-CA 3.3Å; C113-S139 WeakPolarHBondContact O-CA 3.41Å; C113-V140 HydrophobicContact CB-CB 4.46Å; C113-V140 PolarHBondContact N-O 3.3Å; C113-V140 PolarHBondContact O-N 2.79Å |
| 114 | K | 58.1 | Low | 58 | Low | 150 Ų | 150 | 116 Ų | 116 | 65% | 0.652 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 100.8 | 168.8 | -70.4 | -180 | -177.3 | 175 | 0 | 108.9 | P137 V138 | K114-P137 HydrophobicContact CB-CB 4.1Å; K114-P137 HydrophobicContact CB-CG 4.03Å; K114-P137 HydrophobicContact CD-CG 4.03Å; K114-P137 HydrophobicContact CG-CG 4.12Å; K114-V138 CarbonylContact C-O 2.96Å; K114-V138 WeakPolarHBondContact CA-O 3.3Å |
| 115 | Y | 56.8 | Low | 56.7 | Low | 52 Ų | 52 | 115.7 Ų | 115.7 | 20% | 0.204 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.8 | -174.8 | -168.9 | -116.7 | 0 | 0 | 0 | 111.8 | C113 K118 V138 | C113-Y115 PolarHBondContact O-N 2.8Å; Y115-K118 VanDerWaalsContact OH-C 3.27Å; Y115-K118 WeakPolarHBondContact OH-CA 3.45Å; Y115-K118 WeakPolarHBondContact OH-CB 3.35Å; Y115-K118 PolarHBondContact OH-N 3.39Å; Y115-K118 PolarHBondContact OH-O 3.43Å; Y115-V138 PolarHBondContact N-O 3.06Å; Y115-V138 PolarHBondContact O-N 2.7Å |
| 116 | K | 53.9 | Low | 56.3 | Low | 169 Ų | 169 | 111.1 Ų | 111.1 | 74% | 0.735 | 55% | 0.551 | S | S | * | * | trans | -94.7 | 131.7 | 159.8 | -73.5 | -161.5 | 176.9 | -172.8 | 0 | 108.3 | K118 | K116-K118 PolarHBondContact O-N 3.41Š| ||
| 117 | P | 49.9 | Very low | 55.7 | Low | 73 Ų | 73 | 110 Ų | 110 | 47% | 0.474 | 55% | 0.545 | S | S | . | . | trans | -60.2 | 115.3 | -172.5 | 24.6 | -33.9 | 0 | 0 | 0 | 111.5 | T131 | P117-T131 HydrophobicContact CG-CG2 4.2Š| ||
| 118 | K | 48.9 | Very low | 55.5 | Low | 175 Ų | 175 | 102.2 Ų | 102.2 | 76% | 0.761 | 51% | 0.51 | S | S | * | . | trans | -130 | 154.7 | 150.2 | -78.9 | -172.7 | 175.3 | -178.4 | 0 | 107.9 | Y115 K116 K120 | Y115-K118 VanDerWaalsContact OH-C 3.27Å; Y115-K118 WeakPolarHBondContact OH-CA 3.45Å; Y115-K118 WeakPolarHBondContact OH-CB 3.35Å; Y115-K118 PolarHBondContact OH-N 3.39Å; Y115-K118 PolarHBondContact OH-O 3.43Å; K116-K118 PolarHBondContact O-N 3.41Å; K118-K120 PolarHBondContact O-N 2.89Å | ||
| 119 | A | 47.9 | Very low | 55.4 | Low | 74 Ų | 74 | 100.4 Ų | 100.4 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 116.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 120 | K | 51.8 | Low | 55.3 | Low | 118 Ų | 118 | 96.4 Ų | 96.4 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.6 | 171.1 | -165.7 | 173.1 | -177 | -178.4 | 0 | 109.9 | K118 | K118-K120 PolarHBondContact O-N 2.89Å |
| 121 | K | 44.7 | Very low | 55.7 | Low | 157 Ų | 157 | 89.3 Ų | 89.3 | 68% | 0.683 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.4 | 175.3 | -165.1 | 168.7 | -172.4 | -175.2 | 0 | 107.6 | L160 | K121-L160 HydrophobicContact CD-CD1 4.17Å; K121-L160 HydrophobicContact CD-CD2 4.13Å; K121-L160 HydrophobicContact CG-CD1 3.57Å; K121-L160 HydrophobicContact CG-CD2 3.68Å; K121-L160 HydrophobicContact CG-CG 4.17Å |
| 122 | I | 52 | Low | 55.7 | Low | 89 Ų | 89 | 94.6 Ų | 94.6 | 46% | 0.456 | 48% | 0.478 | S | S | . | . | trans | -109.1 | 144.3 | 163.4 | -54.8 | 168.3 | 0 | 0 | 0 | 105.5 | E124 F125 I127 L160 | I122-E124 PolarHBondContact O-N 3.31Å; I122-F125 WeakPolarHBondContact CB-O 3.47Å; I122-F125 PolarHBondContact N-O 2.78Å; I122-F125 PolarHBondContact O-N 2.8Å; I122-F125 VanDerWaalsContact O-N 3.17Å; I122-I127 HydrophobicContact CD1-CD1 4.44Å; I122-L160 WeakPolarHBondContact O-CD2 3.12Å | ||
| 123 | D | 55.1 | Low | 55.7 | Low | 164 Ų | 164 | 94.5 Ų | 94.5 | 88% | 0.877 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -44.6 | -26.9 | -162.2 | -64.2 | -40.5 | 0 | 0 | 0 | 116.7 | ||
| 124 | E | 56.9 | Low | 55.8 | Low | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -125.4 | -27.8 | 177 | -163.4 | 177.5 | 179.7 | 0 | 0 | 114.4 | I122 L160 | I122-E124 PolarHBondContact O-N 3.31Å; E124-L160 WeakPolarHBondContact O-CB 3.45Å; E124-L160 PolarHBondContact O-N 3.24Å; E124-L160 VanDerWaalsContact O-N 3.15Å |
| 125 | F | 49.4 | Very low | 56 | Low | 76 Ų | 76 | 95.4 Ų | 95.4 | 33% | 0.333 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137 | -172.3 | -58.6 | -74.5 | 0 | 0 | 0 | 112.5 | I122 V157 R158 R159 I166 | I122-F125 WeakPolarHBondContact CB-O 3.47Å; I122-F125 PolarHBondContact N-O 2.78Å; I122-F125 PolarHBondContact O-N 2.8Å; I122-F125 VanDerWaalsContact O-N 3.17Å; F125-V157 HydrophobicContact CB-CG1 4.38Å; F125-V157 HydrophobicContact CD1-CG1 4.3Å; F125-R158 WeakPolarHBondContact CA-O 3.46Å; F125-R159 HydrophobicContact CE1-CG 4.43Å; F125-I166 HydrophobicContact CD1-CD1 3.65Å; F125-I166 HydrophobicContact CE1-CD1 3.38Å |
| 126 | Q | 60.5 | Low | 56.4 | Low | 43 Ų | 43 | 95.3 Ų | 95.3 | 20% | 0.201 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.3 | 170.5 | -172.4 | -174.4 | 60.4 | 0 | 0 | 109.5 | V128 R158 L160 | Q126-V128 HydrophobicContact CG-CG2 3.72Å; Q126-R158 HydrophobicContact CB-CB 4.34Å; Q126-R158 PolarHBondContact N-O 2.88Å; Q126-R158 PolarHBondContact O-N 3.02Å; Q126-L160 HydrophobicContact CB-CD1 4.29Å |
| 127 | I | 58.5 | Low | 57 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 40% | 0.4 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 119.5 | 170.4 | -58.1 | 175.1 | 0 | 0 | 0 | 107.8 | I122 L129 F155 | I122-I127 HydrophobicContact CD1-CD1 4.44Å; I127-L129 HydrophobicContact CG2-CD2 4.44Å; I127-L129 HydrophobicContact CG2-CG 4.49Å; I127-F155 HydrophobicContact CG2-CD2 4.44Å; I127-F155 HydrophobicContact CG2-CE2 3.77Å; I127-F155 HydrophobicContact CG2-CZ 4.47Å |
| 128 | V | 62.5 | Low | 58 | Low | 24 Ų | 24 | 86.4 Ų | 86.4 | 15% | 0.145 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.9 | 178.5 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | Q126 Q130 L156 | Q126-V128 HydrophobicContact CG-CG2 3.72Å; V128-Q130 HydrophobicContact CG1-CG 4.26Å; V128-L156 HydrophobicContact CB-CB 4.32Å; V128-L156 PolarHBondContact N-O 3.35Å; V128-L156 PolarHBondContact O-N 2.89Å; V128-L156 VanDerWaalsContact O-N 3.09Å |
| 129 | L | 64.7 | Low | 59.2 | Low | 22 Ų | 22 | 78.6 Ų | 78.6 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.7 | 176.2 | -58.3 | 173.1 | 0 | 0 | 0 | 108.5 | I127 V138 V140 I149 F155 | I127-L129 HydrophobicContact CG2-CD2 4.44Å; I127-L129 HydrophobicContact CG2-CG 4.49Å; L129-V138 HydrophobicContact CB-CG1 4.18Å; L129-V138 HydrophobicContact CD1-CG1 3.76Å; L129-V138 HydrophobicContact CG-CG1 4.44Å; L129-V140 HydrophobicContact CD1-CG2 4.11Å; L129-I149 HydrophobicContact CD2-CD1 4.33Å; L129-I149 HydrophobicContact CD2-CG2 3.89Å; L129-F155 HydrophobicContact CD2-CD2 3.56Å; L129-F155 HydrophobicContact CD2-CE2 4.26Å |
| 130 | Q | 62.1 | Low | 60.5 | Low | 85 Ų | 85 | 76.4 Ų | 76.4 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.1 | 178.5 | -63.5 | -179.8 | -30.7 | 0 | 0 | 110.1 | V128 N153 N154 L156 | V128-Q130 HydrophobicContact CG1-CG 4.26Å; Q130-N153 PolarHBondContact O-N 3.09Å; Q130-N154 HydrophobicContact CB-CB 4.21Å; Q130-N154 PolarHBondContact N-O 2.97Å; Q130-N154 VanDerWaalsContact N-O 3.08Å; Q130-N154 PolarHBondContact O-N 3.28Å; Q130-N154 PolarHBondContact OE1-ND2 3.23Å; Q130-L156 HydrophobicContact CG-CD1 4.47Å |
| 131 | T | 64.1 | Low | 61.6 | Low | 37 Ų | 37 | 72.2 Ų | 72.2 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | trans | -129.9 | 140.9 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | P117 T133 V138 | P117-T131 HydrophobicContact CG-CG2 4.2Å; T131-T133 PolarHBondContact OG1-N 3.44Å; T131-T133 PolarHBondContact OG1-O 2.81Å; T131-V138 HydrophobicContact CG2-CG2 4.03Å | ||
| 132 | D | 58.4 | Low | 63 | Low | 138 Ų | 138 | 68.4 Ų | 68.4 | 74% | 0.738 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -90 | -21 | 177.5 | -60.4 | -2.1 | 0 | 0 | 0 | 110.5 | N153 | D132-N153 WeakPolarHBondContact CB-ND2 2.91Å; D132-N153 PolarHBondContact N-ND2 3.48Å; D132-N153 PolarHBondContact OD1-ND2 3.17Å; D132-N153 PolarHBondContact OD2-ND2 3.23Å |
| 133 | T | 54.5 | Low | 64.1 | Low | 73 Ų | 73 | 67.2 Ų | 67.2 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | trans | -109.7 | 125.6 | -172.7 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | T131 S135 | T131-T133 PolarHBondContact OG1-N 3.44Å; T131-T133 PolarHBondContact OG1-O 2.81Å; T133-S135 PolarHBondContact O-N 3.31Å | ||
| 134 | S | 60.5 | Low | 65 | Low | 137 Ų | 137 | 66.7 Ų | 66.7 | 96% | 0.958 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -70.9 | -10.7 | 170.2 | 57 | 0 | 0 | 0 | 0 | 113.1 | ||
| 135 | S | 62.7 | Low | 65.8 | Low | 95 Ų | 95 | 65.1 Ų | 65.1 | 66% | 0.664 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -84 | -29.2 | -168.8 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | T133 | T133-S135 PolarHBondContact O-N 3.31Š|
| 136 | S | 65.3 | Low | 67 | Low | 50 Ų | 50 | 69.4 Ų | 69.4 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -126.2 | 121.6 | 179.5 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 137 | P | 67.8 | Low | 67.9 | Low | 54 Ų | 54 | 72.1 Ų | 72.1 | 35% | 0.351 | 43% | 0.427 | S | S | . | . | trans | -65 | 147.1 | 176.2 | 27.9 | -33.1 | 0 | 0 | 0 | 110.2 | K114 S139 N151 | K114-P137 HydrophobicContact CB-CB 4.1Å; K114-P137 HydrophobicContact CB-CG 4.03Å; K114-P137 HydrophobicContact CD-CG 4.03Å; K114-P137 HydrophobicContact CG-CG 4.12Å; P137-S139 PolarHBondContact O-N 2.82Å; P137-N151 PolarHBondContact O-ND2 2.97Å | ||
| 138 | V | 70.9 | Confident | 69 | Low | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 125.8 | 171 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | K114 Y115 L129 T131 I149 C152 | K114-V138 CarbonylContact C-O 2.96Å; K114-V138 WeakPolarHBondContact CA-O 3.3Å; Y115-V138 PolarHBondContact N-O 3.06Å; Y115-V138 PolarHBondContact O-N 2.7Å; L129-V138 HydrophobicContact CB-CG1 4.18Å; L129-V138 HydrophobicContact CD1-CG1 3.76Å; L129-V138 HydrophobicContact CG-CG1 4.44Å; T131-V138 HydrophobicContact CG2-CG2 4.03Å; V138-I149 HydrophobicContact CG1-CG2 4.29Å; V138-C152 HydrophobicContact CG1-CB 4.25Å |
| 139 | S | 72.4 | Confident | 69.9 | Low | 10 Ų | 10 | 73.6 Ų | 73.6 | 7% | 0.07 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.2 | 175.5 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | C113 P137 Q150 | C113-S139 VanDerWaalsContact O-CA 3.3Å; C113-S139 WeakPolarHBondContact O-CA 3.41Å; P137-S139 PolarHBondContact O-N 2.82Å; S139-Q150 PolarHBondContact N-O 3.1Å; S139-Q150 VanDerWaalsContact N-O 3.1Å; S139-Q150 PolarHBondContact O-N 3.31Å; S139-Q150 WeakPolarHBondContact OG-CB 3.48Å |
| 140 | V | 75.5 | Confident | 70.7 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 17% | 0.17 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.6 | 165.3 | -173.9 | 0 | 0 | 0 | 0 | 106.7 | C112 C113 L129 L142 V147 Q148 I149 | C112-V140 WeakPolarHBondContact CA-O 3.03Å; C113-V140 HydrophobicContact CB-CB 4.46Å; C113-V140 PolarHBondContact N-O 3.3Å; C113-V140 PolarHBondContact O-N 2.79Å; L129-V140 HydrophobicContact CD1-CG2 4.11Å; V140-L142 HydrophobicContact CG1-CD1 3.88Å; V140-V147 HydrophobicContact CG1-CG1 3.95Å; V140-Q148 CarbonylContact C-O 3.57Å; V140-Q148 WeakPolarHBondContact CA-O 3.39Å; V140-I149 HydrophobicContact CG1-CG1 4.37Å; V140-I149 HydrophobicContact CG2-CG1 4.38Å; V140-I149 HydrophobicContact CG2-CG2 4.41Å |
| 141 | V | 75.5 | Confident | 71.4 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.6 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | V111 Q148 | V111-V141 CarbonylContact O-C 3.59Å; V111-V141 VanDerWaalsContact O-CA 3.29Å; V111-V141 WeakPolarHBondContact O-CA 3.29Å; V141-Q148 HydrophobicContact CB-CB 4.28Å; V141-Q148 PolarHBondContact N-O 3.06Å; V141-Q148 PolarHBondContact O-N 2.93Å |
| 142 | L | 73 | Confident | 71.8 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 41% | 0.408 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.9 | 167.9 | -64.4 | 81.9 | 0 | 0 | 0 | 107 | V111 V140 V147 | V111-L142 HydrophobicContact CB-CB 4.21Å; V111-L142 HydrophobicContact CB-CD1 4.22Å; V111-L142 HydrophobicContact CG1-CD1 4.25Å; V111-L142 PolarHBondContact N-O 3.35Å; V111-L142 PolarHBondContact O-N 3.25Å; V140-L142 HydrophobicContact CG1-CD1 3.88Å; L142-V147 HydrophobicContact CG-CG2 4.41Å |
| 143 | D | 75.2 | Confident | 72.8 | Confident | 64 Ų | 64 | 73.5 Ų | 73.5 | 34% | 0.342 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 164.7 | 177.9 | -173.5 | 27.4 | 0 | 0 | 0 | 107.5 | G145 R146 | D143-G145 PolarHBondContact O-N 2.82Å; D143-R146 PolarHBondContact N-O 3.15Å; D143-R146 PolarHBondContact O-N 3Å; D143-R146 VanDerWaalsContact O-O 3.04Å |
| 144 | D | 74.5 | Confident | 74 | Confident | 153 Ų | 153 | 70.4 Ų | 70.4 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.2 | 99.6 | -171.7 | -85 | -21.8 | 0 | 0 | 0 | 113.9 | R146 | D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 2.89Å |
| 145 | G | 74.8 | Confident | 75.1 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 95% | 0.948 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 10 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | D143 | D143-G145 PolarHBondContact O-N 2.82Š|
| 146 | R | 73.8 | Confident | 76 | Confident | 166 Ų | 166 | 61.9 Ų | 61.9 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.5 | -177.5 | -63.3 | -178.5 | -177.7 | -176.4 | 2.4 | 111.5 | D143 D144 | D143-R146 PolarHBondContact N-O 3.15Å; D143-R146 PolarHBondContact O-N 3Å; D143-R146 VanDerWaalsContact O-O 3.04Å; D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 2.89Å |
| 147 | V | 80.3 | Confident | 76.7 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.8 | 167.1 | -177 | 0 | 0 | 0 | 0 | 108.1 | V140 L142 I149 | V140-V147 HydrophobicContact CG1-CG1 3.95Å; L142-V147 HydrophobicContact CG-CG2 4.41Å; V147-I149 HydrophobicContact CG1-CG1 4.38Å |
| 148 | Q | 81.3 | Confident | 77.2 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.1 | 174.9 | -60.2 | -173.7 | 9.1 | 0 | 0 | 109.9 | V140 V141 | V140-Q148 CarbonylContact C-O 3.57Å; V140-Q148 WeakPolarHBondContact CA-O 3.39Å; V141-Q148 HydrophobicContact CB-CB 4.28Å; V141-Q148 PolarHBondContact N-O 3.06Å; V141-Q148 PolarHBondContact O-N 2.93Å |
| 149 | I | 81.8 | Confident | 77.4 | Confident | 57 Ų | 57 | 66 Ų | 66 | 29% | 0.292 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.9 | 173.4 | -52.3 | 176.1 | 0 | 0 | 0 | 106.9 | L129 V138 V140 V147 C152 F155 | L129-I149 HydrophobicContact CD2-CD1 4.33Å; L129-I149 HydrophobicContact CD2-CG2 3.89Å; V138-I149 HydrophobicContact CG1-CG2 4.29Å; V140-I149 HydrophobicContact CG1-CG1 4.37Å; V140-I149 HydrophobicContact CG2-CG1 4.38Å; V140-I149 HydrophobicContact CG2-CG2 4.41Å; V147-I149 HydrophobicContact CG1-CG1 4.38Å; I149-C152 HydrophobicContact CG2-CB 4.15Å; I149-C152 WeakPolarHBondContact CG2-SG 3.49Å; I149-F155 HydrophobicContact CD1-CD2 3.41Å; I149-F155 VanDerWaalsContact CD1-CD2 3.41Å; I149-F155 HydrophobicContact CD1-CE2 3.41Å; I149-F155 VanDerWaalsContact CD1-CE2 3.41Å; I149-F155 HydrophobicContact CD1-CG 4.38Å; I149-F155 HydrophobicContact CD1-CZ 4.37Å |
| 150 | Q | 81.1 | Confident | 77.5 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 157.1 | -177.3 | -55.9 | 177.1 | 0.3 | 0 | 0 | 110.3 | S139 C152 | S139-Q150 PolarHBondContact N-O 3.1Å; S139-Q150 VanDerWaalsContact N-O 3.1Å; S139-Q150 PolarHBondContact O-N 3.31Å; S139-Q150 WeakPolarHBondContact OG-CB 3.48Å; Q150-C152 PolarHBondContact O-N 3.09Å |
| 151 | N | 75.7 | Confident | 77.5 | Confident | 82 Ų | 82 | 72.5 Ų | 72.5 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 57.7 | 28.5 | -178.3 | -55.3 | -31.1 | 0 | 0 | 0 | 114.4 | P137 | P137-N151 PolarHBondContact O-ND2 2.97Š|
| 152 | C | 74 | Confident | 77.6 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | trans | -108.4 | 133.5 | 168.9 | 66.9 | 0 | 0 | 0 | 0 | 110.2 | V138 I149 Q150 | V138-C152 HydrophobicContact CG1-CB 4.25Å; I149-C152 HydrophobicContact CG2-CB 4.15Å; I149-C152 WeakPolarHBondContact CG2-SG 3.49Å; Q150-C152 PolarHBondContact O-N 3.09Å | ||
| 153 | N | 78.3 | Confident | 77.7 | Confident | 80 Ų | 80 | 72.8 Ų | 72.8 | 43% | 0.428 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -80.9 | -29.6 | 173.1 | -66.5 | -34 | 0 | 0 | 0 | 111.7 | Q130 D132 | Q130-N153 PolarHBondContact O-N 3.09Å; D132-N153 WeakPolarHBondContact CB-ND2 2.91Å; D132-N153 PolarHBondContact N-ND2 3.48Å; D132-N153 PolarHBondContact OD1-ND2 3.17Å; D132-N153 PolarHBondContact OD2-ND2 3.23Å |
| 154 | N | 80.7 | Confident | 78 | Confident | 9 Ų | 9 | 75 Ų | 75 | 5% | 0.048 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.2 | 177.6 | -161.9 | 12.6 | 0 | 0 | 0 | 111.4 | Q130 N168 M170 | Q130-N154 HydrophobicContact CB-CB 4.21Å; Q130-N154 PolarHBondContact N-O 2.97Å; Q130-N154 VanDerWaalsContact N-O 3.08Å; Q130-N154 PolarHBondContact O-N 3.28Å; Q130-N154 PolarHBondContact OE1-ND2 3.23Å; N154-N168 PolarHBondContact OD1-OD1 3.44Å; N154-N168 VanDerWaalsContact OD1-OD1 3.12Å; N154-M170 HydrophobicContact CB-CG 4.47Å |
| 155 | F | 83.3 | Confident | 78.2 | Confident | 46 Ų | 46 | 71 Ų | 71 | 20% | 0.202 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.3 | 174.6 | 171.3 | -91.5 | 0 | 0 | 0 | 108.3 | I127 L129 I149 V157 F167 A169 | I127-F155 HydrophobicContact CG2-CD2 4.44Å; I127-F155 HydrophobicContact CG2-CE2 3.77Å; I127-F155 HydrophobicContact CG2-CZ 4.47Å; L129-F155 HydrophobicContact CD2-CD2 3.56Å; L129-F155 HydrophobicContact CD2-CE2 4.26Å; I149-F155 HydrophobicContact CD1-CD2 3.41Å; I149-F155 VanDerWaalsContact CD1-CD2 3.41Å; I149-F155 HydrophobicContact CD1-CE2 3.41Å; I149-F155 VanDerWaalsContact CD1-CE2 3.41Å; I149-F155 HydrophobicContact CD1-CG 4.38Å; I149-F155 HydrophobicContact CD1-CZ 4.37Å; F155-V157 HydrophobicContact CD1-CG2 4.47Å; F155-V157 HydrophobicContact CE1-CG2 3.54Å; F155-V157 HydrophobicContact CZ-CG2 3.66Å; F155-F167 AromaticContact CD1-CD1 3.54Å; F155-F167 HydrophobicContact CD1-CD1 3.54Å; F155-F167 AromaticContact CD1-CE1 3.57Å; F155-F167 HydrophobicContact CD1-CE1 3.57Å; F155-F167 AromaticContact CE1-CD1 3.61Å; F155-F167 HydrophobicContact CE1-CD1 3.61Å; F155-F167 AromaticContact CE1-CE1 3.88Å; F155-F167 HydrophobicContact CE1-CE1 3.88Å; F155-A169 HydrophobicContact CB-CB 3.96Å; F155-A169 PolarHBondContact O-N 2.81Å |
| 156 | L | 80.6 | Confident | 78.4 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.2 | -176 | -65.8 | 164.6 | 0 | 0 | 0 | 109.9 | V128 Q130 T165 F167 N168 | V128-L156 HydrophobicContact CB-CB 4.32Å; V128-L156 PolarHBondContact N-O 3.35Å; V128-L156 PolarHBondContact O-N 2.89Å; V128-L156 VanDerWaalsContact O-N 3.09Å; Q130-L156 HydrophobicContact CG-CD1 4.47Å; L156-T165 HydrophobicContact CD2-CG2 4.44Å; L156-F167 WeakPolarHBondContact CA-O 3.42Å; L156-N168 HydrophobicContact CD2-CB 3.79Å |
| 157 | V | 81.2 | Confident | 78.8 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118 | 168 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | F125 F155 I166 F167 | F125-V157 HydrophobicContact CB-CG1 4.38Å; F125-V157 HydrophobicContact CD1-CG1 4.3Å; F155-V157 HydrophobicContact CD1-CG2 4.47Å; F155-V157 HydrophobicContact CE1-CG2 3.54Å; F155-V157 HydrophobicContact CZ-CG2 3.66Å; V157-I166 PolarHBondContact O-N 3.06Å; V157-F167 HydrophobicContact CB-CB 3.92Å; V157-F167 HydrophobicContact CG2-CB 3.98Å; V157-F167 PolarHBondContact N-O 3.15Å; V157-F167 PolarHBondContact O-N 3.3Å |
| 158 | R | 78.5 | Confident | 79.1 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 25% | 0.253 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.8 | 177.1 | -66.8 | -176.5 | -174.8 | 131.8 | -0.8 | 110.6 | F125 Q126 E164 T165 | F125-R158 WeakPolarHBondContact CA-O 3.46Å; Q126-R158 HydrophobicContact CB-CB 4.34Å; Q126-R158 PolarHBondContact N-O 2.88Å; Q126-R158 PolarHBondContact O-N 3.02Å; R158-E164 CarbonylContact C-O 3.58Å; R158-E164 VanDerWaalsContact CA-O 3.26Å; R158-E164 WeakPolarHBondContact CA-O 3.34Å; R158-T165 HydrophobicContact CG-CG2 3.83Å |
| 159 | R | 74.5 | Confident | 79.1 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 36% | 0.362 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 141.5 | 166.3 | -145.1 | -173.3 | -80.3 | 161.3 | 2.6 | 109.5 | F125 D161 G163 E164 I166 | F125-R159 HydrophobicContact CE1-CG 4.43Å; R159-D161 WeakPolarHBondContact CB-OD1 3.49Å; R159-D161 WeakPolarHBondContact CD-OD1 2.81Å; R159-D161 WeakPolarHBondContact CD-OD2 3.35Å; R159-D161 WeakPolarHBondContact CG-OD1 3.36Å; R159-G163 WeakPolarHBondContact O-CA 3.21Å; R159-G163 PolarHBondContact O-N 2.92Å; R159-E164 PolarHBondContact N-O 3.17Å; R159-I166 HydrophobicContact CB-CD1 3.92Å; R159-I166 HydrophobicContact CB-CG1 4.35Å; R159-I166 HydrophobicContact CG-CD1 4.15Å |
| 160 | L | 73.4 | Confident | 79.1 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -34 | -170.9 | -167.4 | 69.4 | 0 | 0 | 0 | 114.2 | K121 I122 E124 Q126 | K121-L160 HydrophobicContact CD-CD1 4.17Å; K121-L160 HydrophobicContact CD-CD2 4.13Å; K121-L160 HydrophobicContact CG-CD1 3.57Å; K121-L160 HydrophobicContact CG-CD2 3.68Å; K121-L160 HydrophobicContact CG-CG 4.17Å; I122-L160 WeakPolarHBondContact O-CD2 3.12Å; E124-L160 WeakPolarHBondContact O-CB 3.45Å; E124-L160 PolarHBondContact O-N 3.24Å; E124-L160 VanDerWaalsContact O-N 3.15Å; Q126-L160 HydrophobicContact CB-CD1 4.29Å |
| 161 | D | 76.3 | Confident | 78.9 | Confident | 125 Ų | 125 | 70 Ų | 70 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -46.4 | 178.3 | 59.3 | -21.3 | 0 | 0 | 0 | 112.6 | R159 | R159-D161 WeakPolarHBondContact CB-OD1 3.49Å; R159-D161 WeakPolarHBondContact CD-OD1 2.81Å; R159-D161 WeakPolarHBondContact CD-OD2 3.35Å; R159-D161 WeakPolarHBondContact CG-OD1 3.36Å |
| 162 | S | 78.5 | Confident | 78.8 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 47% | 0.469 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -16.1 | -173.6 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | E164 | S162-E164 PolarHBondContact O-N 3.2Å; S162-E164 WeakPolarHBondContact OG-CB 3.26Å; S162-E164 PolarHBondContact OG-N 2.81Å; S162-E164 VanDerWaalsContact OG-N 3.15Å |
| 163 | G | 74.6 | Confident | 78.8 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | trans | 67.4 | 4.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R159 T165 | R159-G163 WeakPolarHBondContact O-CA 3.21Å; R159-G163 PolarHBondContact O-N 2.92Å; G163-T165 PolarHBondContact O-N 2.98Å | ||
| 164 | E | 80.8 | Confident | 78.5 | Confident | 110 Ų | 110 | 75.5 Ų | 75.5 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | trans | -66.1 | 131.1 | -178.2 | -173.4 | -175.4 | 174.8 | 0 | 0 | 111.2 | R158 R159 S162 I166 | R158-E164 CarbonylContact C-O 3.58Å; R158-E164 VanDerWaalsContact CA-O 3.26Å; R158-E164 WeakPolarHBondContact CA-O 3.34Å; R159-E164 PolarHBondContact N-O 3.17Å; S162-E164 PolarHBondContact O-N 3.2Å; S162-E164 WeakPolarHBondContact OG-CB 3.26Å; S162-E164 PolarHBondContact OG-N 2.81Å; S162-E164 VanDerWaalsContact OG-N 3.15Å; E164-I166 PolarHBondContact O-N 3.29Å | ||
| 165 | T | 79.4 | Confident | 78.3 | Confident | 71 Ų | 71 | 79.7 Ų | 79.7 | 44% | 0.436 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 109.8 | 172.3 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | L156 R158 G163 | L156-T165 HydrophobicContact CD2-CG2 4.44Å; R158-T165 HydrophobicContact CG-CG2 3.83Å; G163-T165 PolarHBondContact O-N 2.98Å |
| 166 | I | 79.2 | Confident | 78 | Confident | 73 Ų | 73 | 83.1 Ų | 83.1 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -40.7 | 176.5 | -58 | 171.9 | 0 | 0 | 0 | 109.9 | F125 V157 R159 E164 | F125-I166 HydrophobicContact CD1-CD1 3.65Å; F125-I166 HydrophobicContact CE1-CD1 3.38Å; V157-I166 PolarHBondContact O-N 3.06Å; R159-I166 HydrophobicContact CB-CD1 3.92Å; R159-I166 HydrophobicContact CB-CG1 4.35Å; R159-I166 HydrophobicContact CG-CD1 4.15Å; E164-I166 PolarHBondContact O-N 3.29Å |
| 167 | F | 82 | Confident | 78.1 | Confident | 73 Ų | 73 | 89.2 Ų | 89.2 | 32% | 0.32 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.3 | 179.7 | -173.6 | -95.6 | 0 | 0 | 0 | 111 | F155 L156 V157 A169 | F155-F167 AromaticContact CD1-CD1 3.54Å; F155-F167 HydrophobicContact CD1-CD1 3.54Å; F155-F167 AromaticContact CD1-CE1 3.57Å; F155-F167 HydrophobicContact CD1-CE1 3.57Å; F155-F167 AromaticContact CE1-CD1 3.61Å; F155-F167 HydrophobicContact CE1-CD1 3.61Å; F155-F167 AromaticContact CE1-CE1 3.88Å; F155-F167 HydrophobicContact CE1-CE1 3.88Å; L156-F167 WeakPolarHBondContact CA-O 3.42Å; V157-F167 HydrophobicContact CB-CB 3.92Å; V157-F167 HydrophobicContact CG2-CB 3.98Å; V157-F167 PolarHBondContact N-O 3.15Å; V157-F167 PolarHBondContact O-N 3.3Å; F167-A169 HydrophobicContact CE1-CB 4.17Å |
| 168 | N | 85.1 | Confident | 78.1 | Confident | 28 Ų | 28 | 98.1 Ų | 98.1 | 15% | 0.15 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 116.8 | 174.6 | -177.6 | -17.7 | 0 | 0 | 0 | 108.8 | N154 L156 M170 R171 P172 | N154-N168 PolarHBondContact OD1-OD1 3.44Å; N154-N168 VanDerWaalsContact OD1-OD1 3.12Å; L156-N168 HydrophobicContact CD2-CB 3.79Å; N168-M170 PolarHBondContact O-N 3.45Å; N168-M170 WeakPolarHBondContact OD1-CB 3.1Å; N168-M170 PolarHBondContact OD1-N 2.85Å; N168-R171 CarbonylContact O-C 3.56Å; N168-R171 PolarHBondContact O-N 3.08Å; N168-R171 VanDerWaalsContact O-O 3.09Å; N168-P172 WeakPolarHBondContact O-CA 3.42Å; N168-P172 VanDerWaalsContact O-N 3.12Å |
| 169 | A | 82.8 | Confident | 78.3 | Confident | 50 Ų | 50 | 101.3 Ų | 101.3 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -30.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | F155 F167 R171 | F155-A169 HydrophobicContact CB-CB 3.96Å; F155-A169 PolarHBondContact O-N 2.81Å; F167-A169 HydrophobicContact CE1-CB 4.17Å; A169-R171 VanDerWaalsContact C-N 3.34Å |
| 170 | M | 80.2 | Confident | 78.8 | Confident | 132 Ų | 132 | 100.1 Ų | 100.1 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -25 | 174.8 | -68.7 | -147.1 | -65.4 | 0 | 0 | 113.5 | N154 N168 | N154-M170 HydrophobicContact CB-CG 4.47Å; N168-M170 PolarHBondContact O-N 3.45Å; N168-M170 WeakPolarHBondContact OD1-CB 3.1Å; N168-M170 PolarHBondContact OD1-N 2.85Å |
| 171 | R | 77.4 | Confident | 79.3 | Confident | 195 Ų | 195 | 107.9 Ų | 107.9 | 74% | 0.736 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -135.4 | 74.8 | 177.7 | -64.6 | -169.4 | -171.4 | 116 | 2.1 | 109.1 | N168 A169 S173 | N168-R171 CarbonylContact O-C 3.56Å; N168-R171 PolarHBondContact O-N 3.08Å; N168-R171 VanDerWaalsContact O-O 3.09Å; A169-R171 VanDerWaalsContact C-N 3.34Å; R171-S173 PolarHBondContact O-N 2.98Å |
| 172 | P | 74.8 | Confident | 79.9 | Confident | 89 Ų | 89 | 110.6 Ų | 110.6 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | trans | -66.5 | 102 | -176.6 | 26.2 | -33.1 | 0 | 0 | 0 | 109.2 | N168 L174 | N168-P172 WeakPolarHBondContact O-CA 3.42Å; N168-P172 VanDerWaalsContact O-N 3.12Å; P172-L174 PolarHBondContact O-N 3.18Å | ||
| 173 | S | 73.5 | Confident | 80.3 | Confident | 96 Ų | 96 | 112.4 Ų | 112.4 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | trans | -86.9 | 85 | 168.3 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | R171 P175 | R171-S173 PolarHBondContact O-N 2.98Å; S173-P175 WeakPolarHBondContact O-CD 3.44Å | ||
| 174 | L | 72 | Confident | 81 | Confident | 128 Ų | 128 | 114.8 Ų | 114.8 | 67% | 0.67 | 59% | 0.593 | S | S | * | * | trans | -91.3 | 110.5 | 174 | -173.7 | 70.5 | 0 | 0 | 0 | 108.6 | P172 L176 | P172-L174 PolarHBondContact O-N 3.18Å; L174-L176 PolarHBondContact O-N 3.48Å | ||
| 175 | P | 76.1 | Confident | 81.2 | Confident | 96 Ų | 96 | 113.6 Ų | 113.6 | 62% | 0.623 | 59% | 0.594 | S | S | * | * | trans | -61.6 | 122.9 | 170.2 | 25.5 | -32.2 | 0 | 0 | 0 | 108.4 | S173 Q177 | S173-P175 WeakPolarHBondContact O-CD 3.44Å; P175-Q177 PolarHBondContact O-N 3.02Å | ||
| 176 | L | 78.1 | Confident | 81.6 | Confident | 119 Ų | 119 | 120.4 Ų | 120.4 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | trans | -65.8 | 103.4 | 177 | -71.6 | 172.2 | 0 | 0 | 0 | 108.9 | L174 I180 I183 | L174-L176 PolarHBondContact O-N 3.48Å; L176-I180 HydrophobicContact CB-CD1 4.36Å; L176-I180 HydrophobicContact CD2-CD1 3.71Å; L176-I180 HydrophobicContact CD2-CG2 4.41Å; L176-I183 HydrophobicContact CD1-CD1 3.88Å; L176-I183 HydrophobicContact CD2-CD1 3.9Å; L176-I183 HydrophobicContact CD2-CG1 4.36Å | ||
| 177 | Q | 81.7 | Confident | 81.9 | Confident | 133 Ų | 133 | 122.9 Ų | 122.9 | 62% | 0.621 | 63% | 0.63 | S | S | * | * | trans | -65.8 | 151.6 | 175.3 | -64.5 | -173.7 | -11.3 | 0 | 0 | 110.4 | P175 N179 I180 | P175-Q177 PolarHBondContact O-N 3.02Å; Q177-N179 PolarHBondContact O-N 2.89Å; Q177-I180 HydrophobicContact CB-CD1 4.39Å; Q177-I180 HydrophobicContact CB-CG1 4.33Å; Q177-I180 PolarHBondContact O-N 2.94Å; Q177-I180 VanDerWaalsContact O-N 3.09Å | ||
| 178 | K | 81.1 | Confident | 82.2 | Confident | 216 Ų | 216 | 124.3 Ų | 124.3 | 94% | 0.939 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -19 | 179.8 | -64.4 | -177.3 | -178.5 | 177.2 | 0 | 113.7 | ||
| 179 | N | 83.7 | Confident | 82.2 | Confident | 134 Ų | 134 | 132.4 Ų | 132.4 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -5.9 | -176.6 | -60.7 | -14.2 | 0 | 0 | 0 | 113.8 | Q177 K181 | Q177-N179 PolarHBondContact O-N 2.89Å; N179-K181 PolarHBondContact O-N 3.12Å |
| 180 | I | 84.2 | Confident | 82.4 | Confident | 70 Ų | 70 | 134 Ų | 134 | 36% | 0.359 | 68% | 0.683 | S | S | . | * | trans | -75.2 | 112.3 | -179.4 | -60.9 | 175.2 | 0 | 0 | 0 | 109.4 | L176 Q177 I183 | L176-I180 HydrophobicContact CB-CD1 4.36Å; L176-I180 HydrophobicContact CD2-CD1 3.71Å; L176-I180 HydrophobicContact CD2-CG2 4.41Å; Q177-I180 HydrophobicContact CB-CD1 4.39Å; Q177-I180 HydrophobicContact CB-CG1 4.33Å; Q177-I180 PolarHBondContact O-N 2.94Å; Q177-I180 VanDerWaalsContact O-N 3.09Å; I180-I183 HydrophobicContact CG2-CG1 4.14Å | ||
| 181 | K | 85 | Confident | 82.6 | Confident | 214 Ų | 214 | 138.4 Ų | 138.4 | 93% | 0.93 | 70% | 0.698 | S | S | * | * | trans | -92.6 | -26.2 | -178.8 | -64.7 | -178.1 | -179 | 178 | 0 | 114.2 | N179 | N179-K181 PolarHBondContact O-N 3.12Š| ||
| 182 | K | 87.4 | Confident | 83.2 | Confident | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | trans | -133.7 | 131.1 | -173.8 | -172.6 | 176.4 | -179.4 | 179.5 | 0 | 109.8 | ||||
| 183 | I | 87.7 | Confident | 83.9 | Confident | 104 Ų | 104 | 137.5 Ų | 137.5 | 53% | 0.533 | 70% | 0.695 | S | S | . | * | trans | -119.2 | 118.4 | 173.1 | -58.2 | 174.6 | 0 | 0 | 0 | 106.8 | L176 I180 T185 | L176-I183 HydrophobicContact CD1-CD1 3.88Å; L176-I183 HydrophobicContact CD2-CD1 3.9Å; L176-I183 HydrophobicContact CD2-CG1 4.36Å; I180-I183 HydrophobicContact CG2-CG1 4.14Å; I183-T185 HydrophobicContact CG2-CG2 3.98Å | ||
| 184 | A | 88.1 | Confident | 84.6 | Confident | 97 Ų | 97 | 142.4 Ų | 142.4 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | trans | -109.3 | 106.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 185 | T | 85.5 | Confident | 85.5 | Confident | 85 Ų | 85 | 137.8 Ų | 137.8 | 52% | 0.521 | 68% | 0.679 | S | S | . | * | trans | -146.5 | 156 | -179.5 | -179 | 0 | 0 | 0 | 0 | 110.5 | I183 I187 V188 | I183-T185 HydrophobicContact CG2-CG2 3.98Å; T185-I187 WeakPolarHBondContact CG2-O 3.06Å; T185-I187 PolarHBondContact OG1-N 3.04Å; T185-I187 PolarHBondContact OG1-O 2.82Å; T185-V188 HydrophobicContact CG2-CG2 3.35Å | ||
| 186 | K | 88 | Confident | 86.1 | Confident | 213 Ų | 213 | 137.1 Ų | 137.1 | 93% | 0.926 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -71.2 | -34.7 | 175.9 | -64.7 | -175.7 | 179.2 | -179.2 | 0 | 112.3 | ||
| 187 | I | 86.3 | Confident | 86.5 | Confident | 125 Ų | 125 | 138.3 Ų | 138.3 | 64% | 0.641 | 69% | 0.687 | S | S | * | * | trans | -140.1 | 128.8 | -174.8 | -57 | 177.1 | 0 | 0 | 0 | 108.9 | T185 K189 | T185-I187 WeakPolarHBondContact CG2-O 3.06Å; T185-I187 PolarHBondContact OG1-N 3.04Å; T185-I187 PolarHBondContact OG1-O 2.82Å; I187-K189 HydrophobicContact CG2-CG 4.21Å | ||
| 188 | V | 86.6 | Confident | 86.7 | Confident | 104 Ų | 104 | 139.2 Ų | 139.2 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | trans | -111.3 | 118.7 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | T185 T190 | T185-V188 HydrophobicContact CG2-CG2 3.35Å; V188-T190 HydrophobicContact CG1-CG2 4.34Å | ||
| 189 | K | 85.6 | Confident | 87.2 | Confident | 197 Ų | 197 | 134.1 Ų | 134.1 | 86% | 0.857 | 68% | 0.679 | S | S | * | * | trans | -103.1 | 115.1 | 170.7 | -66.6 | -176.7 | -179.8 | 179.9 | 0 | 108.7 | I187 | I187-K189 HydrophobicContact CG2-CG 4.21Š| ||
| 190 | T | 87.1 | Confident | 87.5 | Confident | 84 Ų | 84 | 131.3 Ų | 131.3 | 52% | 0.515 | 67% | 0.67 | S | S | . | * | trans | -143.1 | 151.4 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | V188 K192 I193 | V188-T190 HydrophobicContact CG1-CG2 4.34Å; T190-K192 PolarHBondContact OG1-N 3.27Å; T190-K192 PolarHBondContact OG1-O 3.47Å; T190-I193 HydrophobicContact CG2-CD1 4.18Å; T190-I193 HydrophobicContact CG2-CG1 3.56Å | ||
| 191 | K | 85.5 | Confident | 87.8 | Confident | 224 Ų | 224 | 132.3 Ų | 132.3 | 97% | 0.974 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -76 | -28 | 174.2 | -63.4 | -176.3 | 179.3 | -177.9 | 0 | 112.4 | ||
| 192 | K | 88.7 | Confident | 88.1 | Confident | 145 Ų | 145 | 131.9 Ų | 131.9 | 63% | 0.63 | 67% | 0.668 | S | S | * | * | trans | -151.8 | 138.9 | -173.3 | -172.9 | 171.5 | -176.9 | 171.6 | 0 | 110.9 | T190 | T190-K192 PolarHBondContact OG1-N 3.27Å; T190-K192 PolarHBondContact OG1-O 3.47Å | ||
| 193 | I | 89.7 | Confident | 88.2 | Confident | 121 Ų | 121 | 127.7 Ų | 127.7 | 62% | 0.621 | 65% | 0.653 | S | S | * | * | trans | -116.3 | 123.8 | 170.9 | -55 | 173.4 | 0 | 0 | 0 | 106.6 | T190 I201 | T190-I193 HydrophobicContact CG2-CD1 4.18Å; T190-I193 HydrophobicContact CG2-CG1 3.56Å; I193-I201 HydrophobicContact CG2-CD1 3.46Å; I193-I201 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 194 | R | 89.4 | Confident | 88.4 | Confident | 198 Ų | 198 | 132.1 Ų | 132.1 | 75% | 0.747 | 67% | 0.672 | S | S | * | * | trans | -143.3 | 145.1 | 179.3 | 66.7 | 177.7 | 179.9 | -179 | -1.8 | 110.8 | ||||
| 195 | A | 90.2 | Very high | 88.4 | Confident | 31 Ų | 31 | 131.7 Ų | 131.7 | 26% | 0.256 | 66% | 0.659 | S | S | . | * | trans | -77.5 | 162.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110.7 | N199 I201 | A195-N199 WeakPolarHBondContact CB-O 3.47Å; A195-I201 HydrophobicContact CB-CB 4.07Å | ||
| 196 | P | 88.7 | Confident | 88.6 | Confident | 83 Ų | 83 | 136.7 Ų | 136.7 | 54% | 0.539 | 68% | 0.676 | S | S | . | * | trans | -54.4 | 158.2 | 162.9 | -22.9 | 32.5 | 0 | 0 | 0 | 112.2 | D198 N199 | P196-D198 PolarHBondContact O-N 2.97Å; P196-N199 HydrophobicContact CB-CB 4.03Å; P196-N199 HydrophobicContact CG-CB 4.11Å; P196-N199 PolarHBondContact O-N 3.28Å | ||
| 197 | V | 85.4 | Confident | 88.5 | Confident | 143 Ų | 143 | 133.3 Ų | 133.3 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -30.4 | -169.8 | 176.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 198 | D | 86.9 | Confident | 88.6 | Confident | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | 16.7 | -177.8 | -57 | -57.2 | 0 | 0 | 0 | 114 | P196 | P196-D198 PolarHBondContact O-N 2.97Š|
| 199 | N | 90.6 | Very high | 88.6 | Confident | 110 Ų | 110 | 131.5 Ų | 131.5 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | trans | -118.5 | 147.7 | -176.6 | -77.3 | -29.3 | 0 | 0 | 0 | 112.2 | A195 P196 | A195-N199 WeakPolarHBondContact CB-O 3.47Å; P196-N199 HydrophobicContact CB-CB 4.03Å; P196-N199 HydrophobicContact CG-CB 4.11Å; P196-N199 PolarHBondContact O-N 3.28Å | ||
| 200 | S | 90.6 | Very high | 88.6 | Confident | 74 Ų | 74 | 127 Ų | 127 | 52% | 0.517 | 65% | 0.645 | S | S | . | * | trans | -82.7 | 135.2 | 173.6 | 65.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 201 | I | 91.6 | Very high | 88.4 | Confident | 91 Ų | 91 | 133.8 Ų | 133.8 | 47% | 0.467 | 66% | 0.661 | S | S | . | * | trans | -77.5 | 131.9 | 163.4 | -169.7 | 163.1 | 0 | 0 | 0 | 109.3 | I193 A195 L203 | I193-I201 HydrophobicContact CG2-CD1 3.46Å; I193-I201 VanDerWaalsContact CG2-CD1 3.46Å; A195-I201 HydrophobicContact CB-CB 4.07Å; I201-L203 HydrophobicContact CD1-CD2 4.31Å; I201-L203 HydrophobicContact CG1-CD2 4.27Å; I201-L203 HydrophobicContact CG1-CG 4.37Å | ||
| 202 | R | 90.9 | Very high | 88.3 | Confident | 206 Ų | 206 | 124.8 Ų | 124.8 | 78% | 0.777 | 63% | 0.632 | S | S | * | * | trans | -118.3 | 128.7 | 174 | -62.5 | -176.7 | -174.5 | -179.9 | 0.2 | 108.2 | ||||
| 203 | L | 89.7 | Confident | 87.9 | Confident | 94 Ų | 94 | 125.4 Ų | 125.4 | 49% | 0.492 | 64% | 0.642 | S | S | . | * | trans | -121.3 | 114.7 | 177.4 | -60.4 | 174.3 | 0 | 0 | 0 | 106.8 | I201 L208 F210 | I201-L203 HydrophobicContact CD1-CD2 4.31Å; I201-L203 HydrophobicContact CG1-CD2 4.27Å; I201-L203 HydrophobicContact CG1-CG 4.37Å; L203-L208 HydrophobicContact CB-CD2 4.42Å; L203-L208 HydrophobicContact CD1-CD2 4.29Å; L203-F210 HydrophobicContact CD1-CE1 4.44Å; L203-F210 HydrophobicContact CD1-CZ 3.76Å | ||
| 204 | E | 90.3 | Very high | 87.5 | Confident | 198 Ų | 198 | 129.3 Ų | 129.3 | 93% | 0.925 | 66% | 0.657 | S | S | * | * | trans | -115.3 | 109 | 175.5 | -175.2 | 172.1 | -165.1 | 0 | 0 | 107.1 | ||||
| 205 | V | 88.9 | Confident | 87.1 | Confident | 87 Ų | 87 | 122.5 Ų | 122.5 | 53% | 0.527 | 65% | 0.649 | S | S | . | * | trans | -148 | 140.5 | -171.7 | -171 | 0 | 0 | 0 | 0 | 107.9 | L208 | V205-L208 HydrophobicContact CB-CB 4.27Å; V205-L208 HydrophobicContact CG2-CD1 4.27Å | ||
| 206 | E | 88.7 | Confident | 86.7 | Confident | 190 Ų | 190 | 124.5 Ų | 124.5 | 89% | 0.888 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -64.5 | -47.4 | 174.9 | -65.3 | 176 | 177.6 | 0 | 0 | 111.8 | ||
| 207 | N | 86.7 | Confident | 86.4 | Confident | 143 Ų | 143 | 124.8 Ų | 124.8 | 77% | 0.765 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -128.7 | 95.6 | 179.2 | -69.8 | -57.6 | 0 | 0 | 0 | 110.5 | ||
| 208 | L | 87.8 | Confident | 86.4 | Confident | 84 Ų | 84 | 123.1 Ų | 123.1 | 44% | 0.44 | 65% | 0.649 | S | S | . | * | trans | -93.7 | 121.1 | 177.2 | -173.7 | 59.9 | 0 | 0 | 0 | 110.7 | L203 V205 F210 | L203-L208 HydrophobicContact CB-CD2 4.42Å; L203-L208 HydrophobicContact CD1-CD2 4.29Å; V205-L208 HydrophobicContact CB-CB 4.27Å; V205-L208 HydrophobicContact CG2-CD1 4.27Å; L208-F210 HydrophobicContact CD1-CE1 4.25Å; L208-F210 HydrophobicContact CD1-CE2 3.99Å; L208-F210 HydrophobicContact CD1-CZ 3.77Å; L208-F210 HydrophobicContact CD2-CE2 3.49Å; L208-F210 VanDerWaalsContact CD2-CE2 3.49Å; L208-F210 HydrophobicContact CD2-CZ 3.74Å; L208-F210 HydrophobicContact CG-CD2 4.24Å; L208-F210 HydrophobicContact CG-CE2 3.61Å; L208-F210 HydrophobicContact CG-CZ 3.9Å | ||
| 209 | S | 87.4 | Confident | 86.3 | Confident | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -128.8 | 137.8 | 170.9 | 69.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 210 | F | 85.7 | Confident | 86 | Confident | 101 Ų | 101 | 125.5 Ų | 125.5 | 44% | 0.443 | 65% | 0.649 | S | S | . | * | trans | -117.9 | 121.9 | 173.2 | -63.1 | -78.1 | 0 | 0 | 0 | 109 | L203 L208 F218 | L203-F210 HydrophobicContact CD1-CE1 4.44Å; L203-F210 HydrophobicContact CD1-CZ 3.76Å; L208-F210 HydrophobicContact CD1-CE1 4.25Å; L208-F210 HydrophobicContact CD1-CE2 3.99Å; L208-F210 HydrophobicContact CD1-CZ 3.77Å; L208-F210 HydrophobicContact CD2-CE2 3.49Å; L208-F210 VanDerWaalsContact CD2-CE2 3.49Å; L208-F210 HydrophobicContact CD2-CZ 3.74Å; L208-F210 HydrophobicContact CG-CD2 4.24Å; L208-F210 HydrophobicContact CG-CE2 3.61Å; L208-F210 HydrophobicContact CG-CZ 3.9Å; F210-F218 HydrophobicContact CB-CE1 4.49Å; F210-F218 HydrophobicContact CB-CE2 4.44Å; F210-F218 HydrophobicContact CB-CZ 3.61Å; F210-F218 AromaticContact CD1-CE1 3.98Å; F210-F218 HydrophobicContact CD1-CE1 3.98Å; F210-F218 AromaticContact CD1-CZ 3.92Å; F210-F218 HydrophobicContact CD1-CZ 3.92Å; F210-F218 AromaticContact CD2-CE1 3.88Å; F210-F218 HydrophobicContact CD2-CE1 3.88Å; F210-F218 AromaticContact CD2-CZ 3.62Å; F210-F218 HydrophobicContact CD2-CZ 3.62Å; F210-F218 HydrophobicContact CE1-CE1 4.07Å; F210-F218 HydrophobicContact CE1-CZ 4.45Å; F210-F218 AromaticContact CE2-CE1 3.95Å; F210-F218 HydrophobicContact CE2-CE1 3.95Å; F210-F218 HydrophobicContact CE2-CZ 4.18Å; F210-F218 AromaticContact CG-CE1 3.88Å; F210-F218 HydrophobicContact CG-CE1 3.88Å; F210-F218 AromaticContact CG-CZ 3.46Å; F210-F218 HydrophobicContact CG-CZ 3.46Å; F210-F218 VanDerWaalsContact CG-CZ 3.46Å; F210-F218 HydrophobicContact CZ-CE1 4.04Å | ||
| 211 | R | 83.7 | Confident | 85.7 | Confident | 228 Ų | 228 | 134.4 Ų | 134.4 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | trans | -132.3 | 132 | 179.5 | -173.6 | 177.3 | 177.3 | 176.2 | 0.1 | 109.5 | ||||
| 212 | G | 81.7 | Confident | 85.3 | Confident | 34 Ų | 34 | 134 Ų | 134 | 35% | 0.351 | 68% | 0.682 | S | S | . | * | trans | -133.7 | 138 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E214 | G212-E214 VanDerWaalsContact C-N 3.32Š| ||
| 213 | N | 80.3 | Confident | 84.9 | Confident | 159 Ų | 159 | 130.1 Ų | 130.1 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -28.1 | 179.5 | -69.5 | 2.4 | 0 | 0 | 0 | 112 | ||
| 214 | E | 82.5 | Confident | 84.7 | Confident | 202 Ų | 202 | 134.1 Ų | 134.1 | 94% | 0.944 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 22.7 | 179.7 | -64.3 | 173.7 | -174.8 | 0 | 0 | 111.5 | G212 | G212-E214 VanDerWaalsContact C-N 3.32Š|
| 215 | G | 79.7 | Confident | 84.4 | Confident | 55 Ų | 55 | 128.6 Ų | 128.6 | 57% | 0.567 | 66% | 0.661 | S | S | * | * | trans | 93.1 | 168.9 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 216 | T | 82.5 | Confident | 84.3 | Confident | 73 Ų | 73 | 132.3 Ų | 132.3 | 45% | 0.448 | 68% | 0.678 | S | S | . | * | trans | -126.6 | 122.9 | 178.1 | 47.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 217 | A | 83.7 | Confident | 84 | Confident | 90 Ų | 90 | 125.5 Ų | 125.5 | 74% | 0.744 | 65% | 0.654 | S | S | * | * | trans | -104.5 | 113 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 218 | F | 84.8 | Confident | 83.8 | Confident | 107 Ų | 107 | 123.3 Ų | 123.3 | 47% | 0.469 | 66% | 0.656 | S | S | . | * | trans | -99.5 | 117.4 | 171.7 | -62.7 | -87.5 | 0 | 0 | 0 | 109.1 | F210 | F210-F218 HydrophobicContact CB-CE1 4.49Å; F210-F218 HydrophobicContact CB-CE2 4.44Å; F210-F218 HydrophobicContact CB-CZ 3.61Å; F210-F218 AromaticContact CD1-CE1 3.98Å; F210-F218 HydrophobicContact CD1-CE1 3.98Å; F210-F218 AromaticContact CD1-CZ 3.92Å; F210-F218 HydrophobicContact CD1-CZ 3.92Å; F210-F218 AromaticContact CD2-CE1 3.88Å; F210-F218 HydrophobicContact CD2-CE1 3.88Å; F210-F218 AromaticContact CD2-CZ 3.62Å; F210-F218 HydrophobicContact CD2-CZ 3.62Å; F210-F218 HydrophobicContact CE1-CE1 4.07Å; F210-F218 HydrophobicContact CE1-CZ 4.45Å; F210-F218 AromaticContact CE2-CE1 3.95Å; F210-F218 HydrophobicContact CE2-CE1 3.95Å; F210-F218 HydrophobicContact CE2-CZ 4.18Å; F210-F218 AromaticContact CG-CE1 3.88Å; F210-F218 HydrophobicContact CG-CE1 3.88Å; F210-F218 AromaticContact CG-CZ 3.46Å; F210-F218 HydrophobicContact CG-CZ 3.46Å; F210-F218 VanDerWaalsContact CG-CZ 3.46Å; F210-F218 HydrophobicContact CZ-CE1 4.04Å | ||
| 219 | R | 85.4 | Confident | 83.5 | Confident | 240 Ų | 240 | 128.2 Ų | 128.2 | 91% | 0.906 | 68% | 0.676 | S | S | * | * | trans | -121 | 117.5 | 176.3 | -66.4 | -174.1 | -177.8 | 175.4 | 1.4 | 109.2 | ||||
| 220 | S | 83.9 | Confident | 83.2 | Confident | 72 Ų | 72 | 129.4 Ų | 129.4 | 50% | 0.503 | 67% | 0.673 | S | S | . | * | trans | -153.4 | 154.6 | 176.1 | 68.6 | 0 | 0 | 0 | 0 | 109.9 | A222 | S220-A222 VanDerWaalsContact C-N 3.31Å; S220-A222 PolarHBondContact OG-O 3.25Å | ||
| 221 | R | 84 | Confident | 82.9 | Confident | 261 Ų | 261 | 128.9 Ų | 128.9 | 99% | 0.985 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -64.7 | -38.3 | 171.2 | 178.8 | 178.5 | 175.5 | 172.2 | 0.1 | 111.5 | ||
| 222 | A | 83 | Confident | 82.8 | Confident | 84 Ų | 84 | 121 Ų | 121 | 69% | 0.694 | 65% | 0.654 | S | S | * | * | trans | -143 | 127.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109 | S220 | S220-A222 VanDerWaalsContact C-N 3.31Å; S220-A222 PolarHBondContact OG-O 3.25Å | ||
| 223 | F | 83.6 | Confident | 82.8 | Confident | 123 Ų | 123 | 124 Ų | 124 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | trans | -112.4 | 112.5 | 177.8 | -175.6 | -117.3 | 0 | 0 | 0 | 108.8 | L225 | F223-L225 HydrophobicContact CD1-CD1 4.3Å; F223-L225 HydrophobicContact CD1-CG 4.1Å; F223-L225 HydrophobicContact CE1-CD1 3.27Å; F223-L225 HydrophobicContact CE1-CD2 3.98Å; F223-L225 HydrophobicContact CE1-CG 3.37Å; F223-L225 HydrophobicContact CE2-CD2 3.91Å; F223-L225 HydrophobicContact CE2-CG 4.18Å; F223-L225 HydrophobicContact CZ-CD1 3.49Å; F223-L225 VanDerWaalsContact CZ-CD1 3.49Å; F223-L225 HydrophobicContact CZ-CD2 3.44Å; F223-L225 VanDerWaalsContact CZ-CD2 3.44Å; F223-L225 HydrophobicContact CZ-CG 3.42Å; F223-L225 VanDerWaalsContact CZ-CG 3.42Å | ||
| 224 | K | 84.2 | Confident | 82.7 | Confident | 179 Ų | 179 | 125 Ų | 125 | 78% | 0.778 | 66% | 0.658 | S | S | * | * | trans | -114.7 | 122.9 | 177.6 | 54.4 | 176.3 | -178.2 | 176.2 | 0 | 109.1 | ||||
| 225 | L | 84.5 | Confident | 82.5 | Confident | 81 Ų | 81 | 118.7 Ų | 118.7 | 42% | 0.424 | 63% | 0.634 | S | S | . | * | trans | -115.4 | 130.6 | 173.5 | -69.7 | -179.7 | 0 | 0 | 0 | 108.7 | F223 I231 | F223-L225 HydrophobicContact CD1-CD1 4.3Å; F223-L225 HydrophobicContact CD1-CG 4.1Å; F223-L225 HydrophobicContact CE1-CD1 3.27Å; F223-L225 HydrophobicContact CE1-CD2 3.98Å; F223-L225 HydrophobicContact CE1-CG 3.37Å; F223-L225 HydrophobicContact CE2-CD2 3.91Å; F223-L225 HydrophobicContact CE2-CG 4.18Å; F223-L225 HydrophobicContact CZ-CD1 3.49Å; F223-L225 VanDerWaalsContact CZ-CD1 3.49Å; F223-L225 HydrophobicContact CZ-CD2 3.44Å; F223-L225 VanDerWaalsContact CZ-CD2 3.44Å; F223-L225 HydrophobicContact CZ-CG 3.42Å; F223-L225 VanDerWaalsContact CZ-CG 3.42Å; L225-I231 HydrophobicContact CB-CD1 3.83Å; L225-I231 HydrophobicContact CD1-CG2 4.01Å | ||
| 226 | N | 85.6 | Confident | 82.3 | Confident | 165 Ų | 165 | 118.8 Ų | 118.8 | 88% | 0.882 | 64% | 0.635 | S | S | * | * | trans | -128 | 128.4 | 171 | -169.4 | 6.6 | 0 | 0 | 0 | 107.4 | ||||
| 227 | A | 83.5 | Confident | 81.9 | Confident | 47 Ų | 47 | 121.3 Ų | 121.3 | 39% | 0.388 | 66% | 0.663 | S | S | . | * | trans | -138.5 | 139.8 | 177 | 0 | 0 | 0 | 0 | 0 | 108.7 | H229 I231 | A227-H229 VanDerWaalsContact C-N 3.35Å; A227-H229 PolarHBondContact O-N 3.49Å; A227-I231 HydrophobicContact CB-CD1 4.34Å; A227-I231 HydrophobicContact CB-CG1 3.61Å | ||
| 228 | A | 82.4 | Confident | 81.4 | Confident | 97 Ų | 97 | 123.1 Ų | 123.1 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -67.3 | -35.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 229 | H | 82 | Confident | 80.7 | Confident | 188 Ų | 188 | 119.7 Ų | 119.7 | 87% | 0.87 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -118.3 | -49.3 | -171.1 | -61.7 | -60.2 | 0 | 0 | 0 | 114 | A227 | A227-H229 VanDerWaalsContact C-N 3.35Å; A227-H229 PolarHBondContact O-N 3.49Å |
| 230 | L | 79.5 | Confident | 80.1 | Confident | 132 Ų | 132 | 112 Ų | 112 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | trans | -155.6 | 137.2 | -173 | -178.6 | 63.6 | 0 | 0 | 0 | 112.1 | ||||
| 231 | I | 80.9 | Confident | 79.5 | Confident | 89 Ų | 89 | 112.5 Ų | 112.5 | 46% | 0.456 | 65% | 0.649 | S | S | . | * | trans | -110.1 | 110.8 | 162 | -58.5 | 174.3 | 0 | 0 | 0 | 106.8 | L225 A227 | L225-I231 HydrophobicContact CB-CD1 3.83Å; L225-I231 HydrophobicContact CD1-CG2 4.01Å; A227-I231 HydrophobicContact CB-CD1 4.34Å; A227-I231 HydrophobicContact CB-CG1 3.61Å | ||
| 232 | S | 81.5 | Confident | 78.9 | Confident | 64 Ų | 64 | 107.1 Ų | 107.1 | 45% | 0.448 | 64% | 0.64 | S | S | . | * | trans | -113.9 | 114.8 | -179 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | K234 | S232-K234 WeakPolarHBondContact OG-CE 3.48Š| ||
| 233 | L | 80.8 | Confident | 78.4 | Confident | 95 Ų | 95 | 109.4 Ų | 109.4 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | trans | -100.6 | 114.5 | 170.6 | -57.8 | 177 | 0 | 0 | 0 | 107.9 | L241 F243 | L233-L241 HydrophobicContact CB-CD1 3.99Å; L233-L241 HydrophobicContact CB-CD2 4.48Å; L233-F243 HydrophobicContact CD1-CE1 3.84Å; L233-F243 HydrophobicContact CD1-CZ 3.52Å | ||
| 234 | K | 78.6 | Confident | 77.6 | Confident | 181 Ų | 181 | 109.3 Ų | 109.3 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | trans | -120.9 | 138.1 | -178.7 | -72.3 | 179.1 | 178.2 | -179 | 0 | 109.9 | S232 | S232-K234 WeakPolarHBondContact OG-CE 3.48Š| ||
| 235 | T | 78.2 | Confident | 76.9 | Confident | 70 Ų | 70 | 103.1 Ų | 103.1 | 43% | 0.429 | 63% | 0.632 | S | S | . | * | trans | -112.3 | 161.7 | 168.5 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | G239 L241 | T235-G239 VanDerWaalsContact CB-O 3.26Å; T235-G239 WeakPolarHBondContact CB-O 3.23Å; T235-G239 PolarHBondContact OG1-O 3.15Å; T235-L241 HydrophobicContact CG2-CD1 4.01Å; T235-L241 HydrophobicContact CG2-CD2 3.64Å; T235-L241 HydrophobicContact CG2-CG 3.39Å | ||
| 236 | G | 74.8 | Confident | 76.2 | Confident | 57 Ų | 57 | 105.8 Ų | 105.8 | 59% | 0.588 | 65% | 0.653 | S | S | * | * | trans | -69.8 | 177.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S238 G239 | G236-S238 PolarHBondContact O-N 3.4Å; G236-G239 PolarHBondContact O-N 3.07Å | ||
| 237 | A | 74.9 | Confident | 75.6 | Confident | 125 Ų | 125 | 105.4 Ų | 105.4 | 100% | 1.033 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -29.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 238 | S | 73.5 | Confident | 74.5 | Confident | 128 Ų | 128 | 105.3 Ų | 105.3 | 90% | 0.895 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 11 | 177 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | G236 | G236-S238 PolarHBondContact O-N 3.4Š|
| 239 | G | 70.5 | Confident | 73.7 | Confident | 36 Ų | 36 | 106.1 Ų | 106.1 | 37% | 0.371 | 64% | 0.644 | S | S | . | * | trans | -86.7 | 136.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T235 G236 | T235-G239 VanDerWaalsContact CB-O 3.26Å; T235-G239 WeakPolarHBondContact CB-O 3.23Å; T235-G239 PolarHBondContact OG1-O 3.15Å; G236-G239 PolarHBondContact O-N 3.07Å | ||
| 240 | A | 71.3 | Confident | 72.8 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | trans | -102.8 | 139.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 241 | L | 73.1 | Confident | 72 | Confident | 84 Ų | 84 | 103.5 Ų | 103.5 | 44% | 0.44 | 64% | 0.636 | S | S | . | * | trans | -98.9 | 103.6 | 166.9 | -68.6 | 164.9 | 0 | 0 | 0 | 108.6 | L233 T235 F243 | L233-L241 HydrophobicContact CB-CD1 3.99Å; L233-L241 HydrophobicContact CB-CD2 4.48Å; T235-L241 HydrophobicContact CG2-CD1 4.01Å; T235-L241 HydrophobicContact CG2-CD2 3.64Å; T235-L241 HydrophobicContact CG2-CG 3.39Å; L241-F243 HydrophobicContact CB-CD2 4.49Å; L241-F243 HydrophobicContact CB-CE2 3.79Å; L241-F243 HydrophobicContact CB-CZ 4.22Å | ||
| 242 | N | 70.8 | Confident | 71.1 | Confident | 147 Ų | 147 | 105.1 Ų | 105.1 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | trans | -99.1 | 103.8 | 177.2 | -67.9 | -16.6 | 0 | 0 | 0 | 109.6 | ||||
| 243 | F | 71.6 | Confident | 69.9 | Low | 132 Ų | 132 | 109.9 Ų | 109.9 | 58% | 0.579 | 66% | 0.663 | S | S | * | * | trans | -88.6 | 106 | 168.4 | -57.2 | -82 | 0 | 0 | 0 | 108.4 | L233 L241 M249 | L233-F243 HydrophobicContact CD1-CE1 3.84Å; L233-F243 HydrophobicContact CD1-CZ 3.52Å; L241-F243 HydrophobicContact CB-CD2 4.49Å; L241-F243 HydrophobicContact CB-CE2 3.79Å; L241-F243 HydrophobicContact CB-CZ 4.22Å; F243-M249 HydrophobicContact CB-SD 4.44Å | ||
| 244 | S | 67.1 | Low | 68.8 | Low | 121 Ų | 121 | 108.6 Ų | 108.6 | 85% | 0.846 | 67% | 0.666 | S | S | * | * | trans | -111.7 | 116.1 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 245 | A | 70 | Confident | 67.8 | Low | 50 Ų | 50 | 106.5 Ų | 106.5 | 41% | 0.413 | 66% | 0.662 | S | S | . | * | trans | -126.1 | 124.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | N247 G248 | A245-N247 PolarHBondContact O-N 3.35Å; A245-N247 VanDerWaalsContact O-N 3.15Å; A245-G248 VanDerWaalsContact CB-O 3.31Å; A245-G248 WeakPolarHBondContact CB-O 3.31Å; A245-G248 PolarHBondContact O-N 3.3Å | ||
| 246 | P | 70.3 | Confident | 66.8 | Low | 136 Ų | 136 | 108.3 Ų | 108.3 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -33.5 | -177.5 | -25.7 | 32.7 | 0 | 0 | 0 | 113.5 | ||
| 247 | N | 72.6 | Confident | 66.1 | Low | 157 Ų | 157 | 108.4 Ų | 108.4 | 84% | 0.84 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 19 | -176.9 | -61 | -17.5 | 0 | 0 | 0 | 112.8 | A245 | A245-N247 PolarHBondContact O-N 3.35Å; A245-N247 VanDerWaalsContact O-N 3.15Å |
| 248 | G | 60.9 | Low | 65.2 | Low | 46 Ų | 46 | 108.8 Ų | 108.8 | 47% | 0.474 | 65% | 0.648 | S | S | . | * | trans | 78.5 | 171.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A245 | A245-G248 VanDerWaalsContact CB-O 3.31Å; A245-G248 WeakPolarHBondContact CB-O 3.31Å; A245-G248 PolarHBondContact O-N 3.3Å | ||
| 249 | M | 64 | Low | 64.5 | Low | 113 Ų | 113 | 108 Ų | 108 | 56% | 0.557 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -103 | 117.4 | 178.4 | -170.9 | 178.2 | 69.2 | 0 | 0 | 109 | F243 L283 | F243-M249 HydrophobicContact CB-SD 4.44Å; M249-L283 HydrophobicContact CE-CD1 3.73Å |
| 250 | L | 63.5 | Low | 63.9 | Low | 160 Ų | 160 | 109.9 Ų | 109.9 | 84% | 0.838 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 124.7 | -179.5 | -66.5 | 163.1 | 0 | 0 | 0 | 109.3 | ||
| 251 | L | 62.7 | Low | 63.2 | Low | 105 Ų | 105 | 114.6 Ų | 114.6 | 55% | 0.55 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -98.5 | 116.1 | 171.8 | -125.4 | 57.4 | 0 | 0 | 0 | 107.9 | R253 L257 | L251-R253 PolarHBondContact O-N 3.21Å; L251-L257 HydrophobicContact CD2-CD1 3.25Å; L251-L257 HydrophobicContact CD2-CD2 3.73Å; L251-L257 HydrophobicContact CD2-CG 4Å; L251-L257 HydrophobicContact CG-CD1 4.01Å |
| 252 | S | 62.1 | Low | 62.5 | Low | 124 Ų | 124 | 113.1 Ų | 113.1 | 87% | 0.867 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -61.1 | -31.1 | -170.7 | -43.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 253 | R | 57 | Low | 61.6 | Low | 164 Ų | 164 | 111.6 Ų | 111.6 | 62% | 0.619 | 65% | 0.649 | S | S | * | * | trans | -149.3 | 111.8 | 179.6 | -87.2 | -175.2 | -93.8 | -167.5 | -5.9 | 109.7 | L251 I255 D256 | L251-R253 PolarHBondContact O-N 3.21Å; R253-I255 HydrophobicContact CB-CG2 4.26Å; R253-I255 PolarHBondContact O-N 3.35Å; R253-D256 HydrophobicContact CB-CB 4.33Å; R253-D256 VanDerWaalsContact CB-OD2 3.23Å; R253-D256 WeakPolarHBondContact CB-OD2 3.33Å; R253-D256 WeakPolarHBondContact CD-OD2 3.31Å; R253-D256 IonicContact CZ-OD2 3.98Å; R253-D256 IonicContact NE-OD2 3.4Å; R253-D256 PolarHBondContact NE-OD2 3.25Å; R253-D256 PolarHBondContact O-N 3.21Å | ||
| 254 | A | 58.1 | Low | 60.8 | Low | 67 Ų | 67 | 109.1 Ų | 109.1 | 55% | 0.554 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -62.9 | -27.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D256 L257 L259 | A254-D256 PolarHBondContact O-N 2.65Å; A254-L257 WeakPolarHBondContact O-CB 3.45Å; A254-L257 WeakPolarHBondContact O-CD1 3.43Å; A254-L257 PolarHBondContact O-N 3.16Å; A254-L259 VanDerWaalsContact O-CD1 3.31Å; A254-L259 WeakPolarHBondContact O-CD1 3.33Å |
| 255 | I | 56.1 | Low | 60.1 | Low | 137 Ų | 137 | 107.6 Ų | 107.6 | 70% | 0.703 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -69.5 | -20.8 | -178.2 | -154.5 | 154.4 | 0 | 0 | 0 | 113.7 | R253 L257 | R253-I255 HydrophobicContact CB-CG2 4.26Å; R253-I255 PolarHBondContact O-N 3.35Å; I255-L257 VanDerWaalsContact C-N 3.27Å |
| 256 | D | 57.1 | Low | 59.4 | Low | 109 Ų | 109 | 114.9 Ų | 114.9 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -83.9 | -7.7 | 178 | -62 | -20.1 | 0 | 0 | 0 | 111.7 | R253 A254 | R253-D256 HydrophobicContact CB-CB 4.33Å; R253-D256 VanDerWaalsContact CB-OD2 3.23Å; R253-D256 WeakPolarHBondContact CB-OD2 3.33Å; R253-D256 WeakPolarHBondContact CD-OD2 3.31Å; R253-D256 IonicContact CZ-OD2 3.98Å; R253-D256 IonicContact NE-OD2 3.4Å; R253-D256 PolarHBondContact NE-OD2 3.25Å; R253-D256 PolarHBondContact O-N 3.21Å; A254-D256 PolarHBondContact O-N 2.65Å |
| 257 | L | 61.7 | Low | 58.6 | Low | 59 Ų | 59 | 112.3 Ų | 112.3 | 31% | 0.309 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -73.8 | 144 | 166.8 | -75.8 | 81.2 | 0 | 0 | 0 | 107.1 | L251 A254 I255 L259 | L251-L257 HydrophobicContact CD2-CD1 3.25Å; L251-L257 HydrophobicContact CD2-CD2 3.73Å; L251-L257 HydrophobicContact CD2-CG 4Å; L251-L257 HydrophobicContact CG-CD1 4.01Å; A254-L257 WeakPolarHBondContact O-CB 3.45Å; A254-L257 WeakPolarHBondContact O-CD1 3.43Å; A254-L257 PolarHBondContact O-N 3.16Å; I255-L257 VanDerWaalsContact C-N 3.27Å; L257-L259 HydrophobicContact CB-CG 4.33Å; L257-L259 PolarHBondContact O-N 2.88Å |
| 258 | P | 55.4 | Low | 58.1 | Low | 133 Ų | 133 | 108.3 Ų | 108.3 | 86% | 0.864 | 62% | 0.621 | S | S | * | * | trans | -65.2 | 80.3 | 168.1 | 28.9 | -33.7 | 0 | 0 | 0 | 108.4 | ||||
| 259 | L | 58.4 | Low | 58.2 | Low | 112 Ų | 112 | 110.6 Ų | 110.6 | 59% | 0.586 | 63% | 0.626 | S | S | * | * | trans | -75.8 | 126.8 | 170.6 | -67 | 170.3 | 0 | 0 | 0 | 105.7 | A254 L257 L261 | A254-L259 VanDerWaalsContact O-CD1 3.31Å; A254-L259 WeakPolarHBondContact O-CD1 3.33Å; L257-L259 HydrophobicContact CB-CG 4.33Å; L257-L259 PolarHBondContact O-N 2.88Å; L259-L261 PolarHBondContact O-N 2.97Å | ||
| 260 | S | 57.4 | Low | 58.3 | Low | 75 Ų | 75 | 113 Ų | 113 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | trans | -54 | 130.2 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | S262 | S260-S262 PolarHBondContact O-N 3.04Å; S260-S262 PolarHBondContact OG-N 3.39Å | ||
| 261 | L | 58.2 | Low | 58.6 | Low | 176 Ų | 176 | 106.4 Ų | 106.4 | 92% | 0.921 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -59.6 | -12.3 | 174 | -78.3 | 147.7 | 0 | 0 | 0 | 112.7 | L259 P263 | L259-L261 PolarHBondContact O-N 2.97Å; L261-P263 VanDerWaalsContact C-CD 3.43Å; L261-P263 WeakPolarHBondContact O-CD 3.3Å |
| 262 | S | 56.9 | Low | 59.1 | Low | 53 Ų | 53 | 107.5 Ų | 107.5 | 37% | 0.371 | 62% | 0.616 | S | S | . | * | trans | -99.1 | 85.2 | 178.2 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | S260 S264 | S260-S262 PolarHBondContact O-N 3.04Å; S260-S262 PolarHBondContact OG-N 3.39Å; S262-S264 PolarHBondContact O-N 2.79Å | ||
| 263 | P | 53.4 | Low | 59.6 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 74% | 0.74 | 59% | 0.593 | S | S | * | * | trans | -60.4 | -24.6 | 167.1 | 26.3 | -33.6 | 0 | 0 | 0 | 111 | L261 L265 | L261-P263 VanDerWaalsContact C-CD 3.43Å; L261-P263 WeakPolarHBondContact O-CD 3.3Å; P263-L265 WeakPolarHBondContact O-CD1 3.26Å; P263-L265 PolarHBondContact O-N 3.43Å | ||
| 264 | S | 54.6 | Low | 60.5 | Low | 81 Ų | 81 | 103.4 Ų | 103.4 | 57% | 0.566 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -74.4 | 107.6 | 172 | 27.4 | 0 | 0 | 0 | 0 | 110.4 | S262 K266 | S262-S264 PolarHBondContact O-N 2.79Å; S264-K266 PolarHBondContact O-N 3.26Å |
| 265 | L | 52.2 | Low | 61.5 | Low | 88 Ų | 88 | 100.4 Ų | 100.4 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -42.8 | 13.5 | 174.6 | -86.6 | 64.3 | 0 | 0 | 0 | 118.5 | P263 | P263-L265 WeakPolarHBondContact O-CD1 3.26Å; P263-L265 PolarHBondContact O-N 3.43Å |
| 266 | K | 55.2 | Low | 62.5 | Low | 203 Ų | 203 | 98 Ų | 98 | 88% | 0.883 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -6.4 | -164.2 | -82.4 | -168 | 176 | -176 | 0 | 118 | S264 | S264-K266 PolarHBondContact O-N 3.26Š|
| 267 | A | 53.7 | Low | 63.5 | Low | 82 Ų | 82 | 93 Ų | 93 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -131.7 | -17.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 268 | D | 61.1 | Low | 64.2 | Low | 73 Ų | 73 | 96.4 Ų | 96.4 | 39% | 0.39 | 56% | 0.561 | S | S | . | * | trans | -119.2 | 98.2 | -177.5 | -162 | 1.8 | 0 | 0 | 0 | 113.1 | L270 G271 | D268-L270 VanDerWaalsContact C-N 3.27Å; D268-L270 WeakPolarHBondContact OD1-CA 2.93Å; D268-L270 VanDerWaalsContact OD1-CB 3.3Å; D268-L270 WeakPolarHBondContact OD1-CB 3.23Å; D268-L270 PolarHBondContact OD1-N 2.9Å; D268-G271 VanDerWaalsContact CG-N 3.33Å; D268-G271 PolarHBondContact OD1-N 2.04Å; D268-G271 VanDerWaalsContact OD1-N 3.13Å; D268-G271 PolarHBondContact OD2-N 2.97Å | ||
| 269 | V | 64.4 | Low | 65 | Low | 95 Ų | 95 | 94.7 Ų | 94.7 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -76.4 | -19.1 | 172.2 | -171.9 | 0 | 0 | 0 | 0 | 111 | ||
| 270 | L | 66.1 | Low | 65.7 | Low | 164 Ų | 164 | 92.7 Ų | 92.7 | 86% | 0.859 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -87.6 | -20 | -179.4 | -57.1 | 174.5 | 0 | 0 | 0 | 112.4 | D268 | D268-L270 VanDerWaalsContact C-N 3.27Å; D268-L270 WeakPolarHBondContact OD1-CA 2.93Å; D268-L270 VanDerWaalsContact OD1-CB 3.3Å; D268-L270 WeakPolarHBondContact OD1-CB 3.23Å; D268-L270 PolarHBondContact OD1-N 2.9Å |
| 271 | G | 69.7 | Low | 66.3 | Low | 20 Ų | 20 | 91.7 Ų | 91.7 | 21% | 0.206 | 55% | 0.546 | C | S | . | . | trans | -68.9 | 151.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D268 G288 | D268-G271 VanDerWaalsContact CG-N 3.33Å; D268-G271 PolarHBondContact OD1-N 2.04Å; D268-G271 VanDerWaalsContact OD1-N 3.13Å; D268-G271 PolarHBondContact OD2-N 2.97Å; G271-G288 WeakPolarHBondContact O-CA 3.48Å; G271-G288 PolarHBondContact O-N 3.07Å | ||
| 272 | L | 72 | Confident | 66.7 | Low | 128 Ų | 128 | 89.8 Ų | 89.8 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.5 | 170.3 | -70.8 | 165.8 | 0 | 0 | 0 | 109.6 | V286 | L272-V286 CarbonylContact C-O 3.55Å; L272-V286 WeakPolarHBondContact CA-O 3.39Å |
| 273 | R | 73.4 | Confident | 67.6 | Low | 104 Ų | 104 | 91.1 Ų | 91.1 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.8 | 175 | 178 | 179.3 | -173.3 | 155.6 | 6.1 | 109.4 | T285 V286 | R273-T285 CarbonylContact O-C 3.55Å; R273-T285 VanDerWaalsContact O-CA 3.27Å; R273-T285 WeakPolarHBondContact O-CA 3.3Å; R273-V286 HydrophobicContact CB-CG2 3.75Å; R273-V286 HydrophobicContact CG-CG2 4.18Å; R273-V286 PolarHBondContact N-O 2.88Å; R273-V286 PolarHBondContact O-N 3.13Å |
| 274 | L | 75.9 | Confident | 68.7 | Low | 99 Ų | 99 | 86.9 Ų | 86.9 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123 | 171.3 | -170.4 | 66.2 | 0 | 0 | 0 | 109.7 | L283 T285 | L274-L283 HydrophobicContact CD1-CB 4.08Å; L274-L283 HydrophobicContact CD1-CD2 4.49Å; L274-L283 HydrophobicContact CD2-CD2 4.46Å; L274-L283 HydrophobicContact CG-CD2 4.31Å; L274-T285 HydrophobicContact CD1-CG2 4.15Å |
| 275 | C | 78.5 | Confident | 69.7 | Low | 4 Ų | 4 | 86.9 Ų | 86.9 | 3% | 0.027 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 147.1 | 177.7 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | L283 F284 C292 | C275-L283 VanDerWaalsContact O-CA 3.3Å; C275-L283 WeakPolarHBondContact O-CA 3.42Å; C275-F284 HydrophobicContact CB-CD1 3.94Å; C275-F284 HydrophobicContact CB-CD2 3.91Å; C275-F284 HydrophobicContact CB-CE1 3.52Å; C275-F284 HydrophobicContact CB-CE2 3.5Å; C275-F284 VanDerWaalsContact CB-CE2 3.5Å; C275-F284 HydrophobicContact CB-CG 4.13Å; C275-F284 HydrophobicContact CB-CZ 3.29Å; C275-F284 PolarHBondContact N-O 3.41Å; C275-F284 PolarHBondContact O-N 2.97Å; C275-C292 HydrophobicContact CB-CB 3.7Å; C275-C292 WeakPolarHBondContact CB-SG 3.39Å; C275-C292 WeakPolarHBondContact SG-CA 3.01Å; C275-C292 WeakPolarHBondContact SG-CB 3.26Å; C275-C292 CovalentContact SG-SG 2.03Å; C275-C292 PolarHBondContact SG-SG 2.98Å |
| 276 | S | 77.8 | Confident | 70.9 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137 | 173.3 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | R282 | S276-R282 WeakPolarHBondContact CA-O 3.43Å |
| 277 | C | 76.6 | Confident | 71.9 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 2% | 0.02 | 45% | 0.452 | C | S | . | . | trans | -79 | 122 | 173.1 | -62.9 | 0 | 0 | 0 | 0 | 109.4 | S279 T280 G281 R282 F284 C299 | C277-S279 PolarHBondContact O-N 2.03Å; C277-T280 VanDerWaalsContact CB-OG1 3.23Å; C277-T280 WeakPolarHBondContact CB-OG1 3.44Å; C277-G281 WeakPolarHBondContact O-CA 3.27Å; C277-G281 PolarHBondContact O-N 2.78Å; C277-R282 HydrophobicContact CB-CB 4.41Å; C277-R282 PolarHBondContact N-O 3.22Å; C277-F284 VanDerWaalsContact SG-CE1 3.59Å; C277-C299 VanDerWaalsContact CA-SG 3.59Å; C277-C299 HydrophobicContact CB-CB 3.71Å; C277-C299 WeakPolarHBondContact CB-SG 3.04Å; C277-C299 WeakPolarHBondContact SG-CA 3.06Å; C277-C299 WeakPolarHBondContact SG-CB 2.99Å; C277-C299 CovalentContact SG-SG 2.04Å; C277-C299 PolarHBondContact SG-SG 2.78Å | ||
| 278 | S | 76.4 | Confident | 72.9 | Confident | 131 Ų | 131 | 74.6 Ų | 74.6 | 92% | 0.916 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.4 | -178.4 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 279 | S | 72.5 | Confident | 73.5 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -39.4 | -177.2 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | C277 | C277-S279 PolarHBondContact O-N 2.03Š|
| 280 | T | 72.7 | Confident | 74.1 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 42% | 0.423 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -13.9 | -172.6 | 58.8 | 0 | 0 | 0 | 0 | 114 | C277 R282 | C277-T280 VanDerWaalsContact CB-OG1 3.23Å; C277-T280 WeakPolarHBondContact CB-OG1 3.44Å; T280-R282 PolarHBondContact O-N 2.78Å; T280-R282 VanDerWaalsContact O-N 3.16Å; T280-R282 WeakPolarHBondContact OG1-CG 3.45Å; T280-R282 PolarHBondContact OG1-N 2.89Å |
| 281 | G | 70.2 | Confident | 74.6 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 57% | 0.567 | 41% | 0.41 | S | S | * | . | trans | 67.6 | 3.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C277 | C277-G281 WeakPolarHBondContact O-CA 3.27Å; C277-G281 PolarHBondContact O-N 2.78Å | ||
| 282 | R | 68.1 | Low | 74.9 | Confident | 135 Ų | 135 | 74.7 Ų | 74.7 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | trans | -60.6 | 137.5 | 176.2 | -74.1 | -178 | -179.2 | 164.5 | 4.2 | 110.2 | S276 C277 T280 Y300 | S276-R282 WeakPolarHBondContact CA-O 3.43Å; C277-R282 HydrophobicContact CB-CB 4.41Å; C277-R282 PolarHBondContact N-O 3.22Å; T280-R282 PolarHBondContact O-N 2.78Å; T280-R282 VanDerWaalsContact O-N 3.16Å; T280-R282 WeakPolarHBondContact OG1-CG 3.45Å; T280-R282 PolarHBondContact OG1-N 2.89Å; R282-Y300 PolarHBondContact NH1-O 3.33Å | ||
| 283 | L | 75.6 | Confident | 75.1 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 43% | 0.429 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.2 | 174.8 | -65.5 | 174.3 | 0 | 0 | 0 | 109.9 | M249 L274 C275 | M249-L283 HydrophobicContact CE-CD1 3.73Å; L274-L283 HydrophobicContact CD1-CB 4.08Å; L274-L283 HydrophobicContact CD1-CD2 4.49Å; L274-L283 HydrophobicContact CD2-CD2 4.46Å; L274-L283 HydrophobicContact CG-CD2 4.31Å; C275-L283 VanDerWaalsContact O-CA 3.3Å; C275-L283 WeakPolarHBondContact O-CA 3.42Å |
| 284 | F | 76.1 | Confident | 75 | Confident | 25 Ų | 25 | 72 Ų | 72 | 11% | 0.11 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 159.1 | 174.9 | 64.3 | -82.4 | 0 | 0 | 0 | 110.2 | C275 C277 V286 C292 E295 N298 | C275-F284 HydrophobicContact CB-CD1 3.94Å; C275-F284 HydrophobicContact CB-CD2 3.91Å; C275-F284 HydrophobicContact CB-CE1 3.52Å; C275-F284 HydrophobicContact CB-CE2 3.5Å; C275-F284 VanDerWaalsContact CB-CE2 3.5Å; C275-F284 HydrophobicContact CB-CG 4.13Å; C275-F284 HydrophobicContact CB-CZ 3.29Å; C275-F284 PolarHBondContact N-O 3.41Å; C275-F284 PolarHBondContact O-N 2.97Å; C277-F284 VanDerWaalsContact SG-CE1 3.59Å; F284-V286 HydrophobicContact CD2-CG1 3.78Å; F284-V286 HydrophobicContact CE2-CG1 3.56Å; F284-C292 HydrophobicContact CZ-CB 4.4Å; F284-E295 HydrophobicContact CE2-CB 4.07Å; F284-N298 HydrophobicContact CB-CB 4.39Å; F284-N298 HydrophobicContact CD1-CB 4.32Å; F284-N298 HydrophobicContact CD2-CB 4.29Å; F284-N298 HydrophobicContact CG-CB 4.1Å |
| 285 | T | 75.8 | Confident | 74.9 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.6 | 179.8 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | R273 L274 | R273-T285 CarbonylContact O-C 3.55Å; R273-T285 VanDerWaalsContact O-CA 3.27Å; R273-T285 WeakPolarHBondContact O-CA 3.3Å; L274-T285 HydrophobicContact CD1-CG2 4.15Å |
| 286 | V | 77.7 | Confident | 74.4 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.006 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 160.7 | 170.6 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | L272 R273 F284 K290 E295 | L272-V286 CarbonylContact C-O 3.55Å; L272-V286 WeakPolarHBondContact CA-O 3.39Å; R273-V286 HydrophobicContact CB-CG2 3.75Å; R273-V286 HydrophobicContact CG-CG2 4.18Å; R273-V286 PolarHBondContact N-O 2.88Å; R273-V286 PolarHBondContact O-N 3.13Å; F284-V286 HydrophobicContact CD2-CG1 3.78Å; F284-V286 HydrophobicContact CE2-CG1 3.56Å; V286-K290 HydrophobicContact CB-CB 4.39Å; V286-K290 HydrophobicContact CG2-CB 4.44Å; V286-E295 HydrophobicContact CG1-CB 4.07Å; V286-E295 HydrophobicContact CG1-CG 4.14Å |
| 287 | Q | 76.3 | Confident | 74.3 | Confident | 89 Ų | 89 | 73 Ų | 73 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 142.4 | 170.2 | -68.8 | 176.8 | -13.5 | 0 | 0 | 110.5 | N289 K290 | Q287-N289 WeakPolarHBondContact CB-OD1 3.34Å; Q287-N289 PolarHBondContact O-N 2.69Å; Q287-N289 VanDerWaalsContact O-N 3.1Å; Q287-K290 HydrophobicContact CB-CD 4.22Å; Q287-K290 HydrophobicContact CB-CG 4.2Å; Q287-K290 WeakPolarHBondContact O-CB 3.37Å; Q287-K290 PolarHBondContact O-N 3.33Å; Q287-K290 VanDerWaalsContact OE1-CE 3.28Å |
| 288 | G | 73.6 | Confident | 74 | Confident | 25 Ų | 25 | 75.8 Ų | 75.8 | 26% | 0.258 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G271 | G271-G288 WeakPolarHBondContact O-CA 3.48Å; G271-G288 PolarHBondContact O-N 3.07Å |
| 289 | N | 73.6 | Confident | 73.6 | Confident | 76 Ų | 76 | 70.8 Ų | 70.8 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.5 | 175.7 | 66 | -13 | 0 | 0 | 0 | 114.3 | Q287 | Q287-N289 WeakPolarHBondContact CB-OD1 3.34Å; Q287-N289 PolarHBondContact O-N 2.69Å; Q287-N289 VanDerWaalsContact O-N 3.1Å |
| 290 | K | 77.1 | Confident | 73.5 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 32% | 0.317 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -95.5 | 144.5 | 179.5 | -68.9 | -175.2 | -178.8 | 177.5 | 0 | 111.4 | V286 Q287 | V286-K290 HydrophobicContact CB-CB 4.39Å; V286-K290 HydrophobicContact CG2-CB 4.44Å; Q287-K290 HydrophobicContact CB-CD 4.22Å; Q287-K290 HydrophobicContact CB-CG 4.2Å; Q287-K290 WeakPolarHBondContact O-CB 3.37Å; Q287-K290 PolarHBondContact O-N 3.33Å; Q287-K290 VanDerWaalsContact OE1-CE 3.28Å |
| 291 | R | 77.8 | Confident | 73.6 | Confident | 167 Ų | 167 | 77.6 Ų | 77.6 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | trans | -77.2 | 146.7 | 170.9 | -66.7 | -173.7 | 179.1 | -171.5 | 0.8 | 109.3 | A293 N294 | R291-A293 PolarHBondContact O-N 3.39Å; R291-A293 VanDerWaalsContact O-N 3.09Å; R291-N294 WeakPolarHBondContact O-CB 3.37Å; R291-N294 PolarHBondContact O-N 3.04Å | ||
| 292 | C | 74.7 | Confident | 73.7 | Confident | 37 Ų | 37 | 78.7 Ų | 78.7 | 25% | 0.25 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -55.1 | -28.8 | 173.8 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | C275 F284 N294 E295 | C275-C292 HydrophobicContact CB-CB 3.7Å; C275-C292 WeakPolarHBondContact CB-SG 3.39Å; C275-C292 WeakPolarHBondContact SG-CA 3.01Å; C275-C292 WeakPolarHBondContact SG-CB 3.26Å; C275-C292 CovalentContact SG-SG 2.03Å; C275-C292 PolarHBondContact SG-SG 2.98Å; F284-C292 HydrophobicContact CZ-CB 4.4Å; C292-N294 PolarHBondContact O-N 3.16Å; C292-E295 PolarHBondContact O-N 3.27Å |
| 293 | A | 76.5 | Confident | 74 | Confident | 76 Ų | 76 | 75.6 Ų | 75.6 | 63% | 0.628 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -62.8 | -25 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R291 E295 A296 | R291-A293 PolarHBondContact O-N 3.39Å; R291-A293 VanDerWaalsContact O-N 3.09Å; A293-E295 PolarHBondContact O-N 3.29Å; A293-A296 PolarHBondContact O-N 3.18Å |
| 294 | N | 72.1 | Confident | 74 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 54% | 0.54 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -69.2 | -23.8 | -177.4 | -66.9 | 2 | 0 | 0 | 0 | 112.5 | R291 C292 | R291-N294 WeakPolarHBondContact O-CB 3.37Å; R291-N294 PolarHBondContact O-N 3.04Å; C292-N294 PolarHBondContact O-N 3.16Å |
| 295 | E | 72.5 | Confident | 73.8 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -119.4 | 34.6 | 178.3 | -64.6 | -173.7 | -170.5 | 0 | 0 | 111.7 | F284 V286 C292 A293 H297 N298 | F284-E295 HydrophobicContact CE2-CB 4.07Å; V286-E295 HydrophobicContact CG1-CB 4.07Å; V286-E295 HydrophobicContact CG1-CG 4.14Å; C292-E295 PolarHBondContact O-N 3.27Å; A293-E295 PolarHBondContact O-N 3.29Å; E295-H297 PolarHBondContact O-N 2.97Å; E295-N298 WeakPolarHBondContact O-CB 3.47Å; E295-N298 PolarHBondContact O-N 2.84Å; E295-N298 PolarHBondContact OE2-ND2 3.1Å |
| 296 | A | 69.5 | Low | 73.7 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -57.4 | -18.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A293 N298 C299 | A293-A296 PolarHBondContact O-N 3.18Å; A296-N298 PolarHBondContact O-N 3.09Å; A296-C299 WeakPolarHBondContact O-CB 3.38Å; A296-C299 PolarHBondContact O-N 3.01Å |
| 297 | H | 75.1 | Confident | 73.4 | Confident | 122 Ų | 122 | 83.7 Ų | 83.7 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -60.2 | -27.1 | 173 | 62.9 | -91.3 | 0 | 0 | 0 | 113 | E295 C299 Y300 | E295-H297 PolarHBondContact O-N 2.97Å; H297-C299 PolarHBondContact O-N 3.39Å; H297-C299 VanDerWaalsContact O-N 3.16Å; H297-Y300 PolarHBondContact O-N 3.33Å |
| 298 | N | 70.2 | Confident | 73.2 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 33% | 0.326 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -67.9 | -9.7 | 175.2 | -69.4 | -28.1 | 0 | 0 | 0 | 113.4 | F284 E295 A296 | F284-N298 HydrophobicContact CB-CB 4.39Å; F284-N298 HydrophobicContact CD1-CB 4.32Å; F284-N298 HydrophobicContact CD2-CB 4.29Å; F284-N298 HydrophobicContact CG-CB 4.1Å; E295-N298 WeakPolarHBondContact O-CB 3.47Å; E295-N298 PolarHBondContact O-N 2.84Å; E295-N298 PolarHBondContact OE2-ND2 3.1Å; A296-N298 PolarHBondContact O-N 3.09Å |
| 299 | C | 67.9 | Low | 73.2 | Confident | 26 Ų | 26 | 88.2 Ų | 88.2 | 18% | 0.176 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -92.2 | -8.7 | 178.8 | -64.9 | 0 | 0 | 0 | 0 | 114.9 | C277 A296 H297 | C277-C299 VanDerWaalsContact CA-SG 3.59Å; C277-C299 HydrophobicContact CB-CB 3.71Å; C277-C299 WeakPolarHBondContact CB-SG 3.04Å; C277-C299 WeakPolarHBondContact SG-CA 3.06Å; C277-C299 WeakPolarHBondContact SG-CB 2.99Å; C277-C299 CovalentContact SG-SG 2.04Å; C277-C299 PolarHBondContact SG-SG 2.78Å; A296-C299 WeakPolarHBondContact O-CB 3.38Å; A296-C299 PolarHBondContact O-N 3.01Å; H297-C299 PolarHBondContact O-N 3.39Å; H297-C299 VanDerWaalsContact O-N 3.16Å |
| 300 | Y | 70.8 | Confident | 73.1 | Confident | 230 Ų | 230 | 89.3 Ų | 89.3 | 90% | 0.902 | 45% | 0.446 | S | S | * | . | trans | -87.6 | 0 | 174.7 | -58.1 | -77.3 | 0 | 0 | 0 | 112.3 | R282 H297 | R282-Y300 PolarHBondContact NH1-O 3.33Å; H297-Y300 PolarHBondContact O-N 3.33Å |
Retrieved 300 of 300 residues in 161.3 ms
(Link to these results)