| 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 | 38.5 | Very low | 45.5 | Very low | 235 Ų | 235 | 131.8 Ų | 131.8 | 100% | 1.158 | 68% | 0.678 | S | S | * | * | 0 | 114.9 | 0 | -84.7 | -178.3 | 167.1 | 0 | 0 | 106.2 | K3 | M1-K3 PolarHBondContact O-N 2.72Å; M1-K3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | D | 36.3 | Very low | 46.5 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 80% | 0.797 | 67% | 0.665 | S | S | * | * | trans | -61.7 | 118.2 | 172.9 | -61.2 | -44 | 0 | 0 | 0 | 107.7 | F4 | D2-F4 PolarHBondContact O-N 3.35Å; D2-F4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | K | 38.2 | Very low | 47.3 | Very low | 200 Ų | 200 | 123.5 Ų | 123.5 | 87% | 0.87 | 64% | 0.641 | S | S | * | * | trans | -72.9 | 107.1 | 174.6 | -74.1 | -175.9 | 178.1 | -178.9 | 0 | 106.6 | M1 V5 | M1-K3 PolarHBondContact O-N 2.72Å; M1-K3 VanDerWaalsContact O-N 3.17Å; K3-V5 PolarHBondContact O-N 2.96Å | ||
| 4 | F | 40.5 | Very low | 48 | Very low | 204 Ų | 204 | 123.9 Ų | 123.9 | 90% | 0.895 | 64% | 0.636 | S | S | * | * | trans | -67.2 | 112.5 | 164 | -66.9 | -84.4 | 0 | 0 | 0 | 107.4 | D2 | D2-F4 PolarHBondContact O-N 3.35Å; D2-F4 VanDerWaalsContact O-N 3.14Å | ||
| 5 | V | 44.1 | Very low | 48.4 | Very low | 70 Ų | 70 | 119.9 Ų | 119.9 | 42% | 0.424 | 62% | 0.619 | S | S | . | * | trans | -91.3 | 121.1 | 168.6 | -177.3 | 0 | 0 | 0 | 0 | 106.5 | K3 F7 | K3-V5 PolarHBondContact O-N 2.96Å; V5-F7 HydrophobicContact CB-CD2 4.44Å; V5-F7 HydrophobicContact CB-CE1 4.08Å; V5-F7 HydrophobicContact CB-CE2 3.66Å; V5-F7 HydrophobicContact CB-CZ 3.47Å; V5-F7 VanDerWaalsContact CB-CZ 3.47Å; V5-F7 HydrophobicContact CG1-CD1 3.93Å; V5-F7 HydrophobicContact CG1-CD2 4.32Å; V5-F7 HydrophobicContact CG1-CE1 3.38Å; V5-F7 HydrophobicContact CG1-CE2 3.81Å; V5-F7 HydrophobicContact CG1-CG 4.38Å; V5-F7 HydrophobicContact CG1-CZ 3.33Å; V5-F7 HydrophobicContact CG2-CZ 4.41Å; V5-F7 WeakPolarHBondContact O-CD2 3.43Å; V5-F7 VanDerWaalsContact O-CE2 3.24Å; V5-F7 WeakPolarHBondContact O-CE2 3.37Å | ||
| 6 | A | 46.1 | Very low | 48.8 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | trans | -78.6 | 133.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 7 | F | 51.6 | Low | 49 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 39% | 0.386 | 61% | 0.61 | S | S | . | * | trans | -123.8 | 146.1 | 177.5 | -54 | -86.2 | 0 | 0 | 0 | 110.9 | V5 I34 H36 W41 | V5-F7 HydrophobicContact CB-CD2 4.44Å; V5-F7 HydrophobicContact CB-CE1 4.08Å; V5-F7 HydrophobicContact CB-CE2 3.66Å; V5-F7 HydrophobicContact CB-CZ 3.47Å; V5-F7 VanDerWaalsContact CB-CZ 3.47Å; V5-F7 HydrophobicContact CG1-CD1 3.93Å; V5-F7 HydrophobicContact CG1-CD2 4.32Å; V5-F7 HydrophobicContact CG1-CE1 3.38Å; V5-F7 HydrophobicContact CG1-CE2 3.81Å; V5-F7 HydrophobicContact CG1-CG 4.38Å; V5-F7 HydrophobicContact CG1-CZ 3.33Å; V5-F7 HydrophobicContact CG2-CZ 4.41Å; V5-F7 WeakPolarHBondContact O-CD2 3.43Å; V5-F7 VanDerWaalsContact O-CE2 3.24Å; V5-F7 WeakPolarHBondContact O-CE2 3.37Å; F7-I34 HydrophobicContact CB-CG2 3.24Å; F7-I34 HydrophobicContact CD1-CG2 3.98Å; F7-I34 HydrophobicContact CD2-CG2 4.38Å; F7-I34 HydrophobicContact CG-CG2 3.65Å; F7-H36 HydrophobicContact CD1-CB 3.71Å; F7-H36 AromaticContact CD1-CD2 3.82Å; F7-H36 HydrophobicContact CE1-CB 3.6Å; F7-H36 AromaticContact CE1-CD2 3.6Å; F7-H36 AromaticContact CE1-CG 3.73Å; F7-W41 AromaticContact CD1-CZ3 3.92Å; F7-W41 HydrophobicContact CD1-CZ3 3.92Å; F7-W41 AromaticContact CE1-CH2 3.76Å; F7-W41 HydrophobicContact CE1-CH2 3.76Å; F7-W41 AromaticContact CE1-CZ3 3.55Å; F7-W41 HydrophobicContact CE1-CZ3 3.55Å; F7-W41 HydrophobicContact CZ-CH2 4.2Å; F7-W41 HydrophobicContact CZ-CZ3 4.21Å | ||
| 8 | Q | 49.6 | Very low | 49.1 | Very low | 146 Ų | 146 | 119 Ų | 119 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.2 | 173.4 | -173.7 | 175.7 | -14.5 | 0 | 0 | 109.5 | H10 | Q8-H10 PolarHBondContact O-N 3.11Å |
| 9 | V | 51 | Low | 49.2 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 43% | 0.43 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 117.5 | 169.6 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | I12 A32 | V9-I12 HydrophobicContact CG1-CD1 3.99Å; V9-I12 HydrophobicContact CG1-CG1 3.5Å; V9-A32 HydrophobicContact CG1-CB 4.31Å |
| 10 | H | 51.8 | Low | 48.9 | Very low | 128 Ų | 128 | 120 Ų | 120 | 59% | 0.593 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | -31.5 | -174.1 | -151.2 | 86.6 | 0 | 0 | 0 | 112.4 | Q8 L33 W35 | Q8-H10 PolarHBondContact O-N 3.11Å; H10-L33 PolarHBondContact N-O 3.45Å; H10-W35 AromaticContact CG-NE1 3.62Å |
| 11 | C | 52.8 | Low | 49 | Very low | 60 Ų | 60 | 117.8 Ų | 117.8 | 41% | 0.405 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -151.4 | 138 | 178.4 | -166.4 | 0 | 0 | 0 | 0 | 110.1 | C13 A32 L33 | C11-C13 PolarHBondContact SG-SG 3.17Å; C11-A32 WeakPolarHBondContact O-CA 3.24Å; C11-L33 PolarHBondContact O-N 2.84Å |
| 12 | I | 57.2 | Low | 49.7 | Very low | 103 Ų | 103 | 114.5 Ų | 114.5 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 115 | 166.5 | -58.1 | 178.2 | 0 | 0 | 0 | 107.4 | V9 M30 L31 | V9-I12 HydrophobicContact CG1-CD1 3.99Å; V9-I12 HydrophobicContact CG1-CG1 3.5Å; I12-M30 HydrophobicContact CG2-CE 3.86Å; I12-L31 VanDerWaalsContact CA-O 3.27Å; I12-L31 WeakPolarHBondContact CA-O 3.22Å |
| 13 | C | 57.8 | Low | 50.3 | Low | 52 Ų | 52 | 112.7 Ų | 112.7 | 35% | 0.351 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.4 | 174.9 | -68.3 | 0 | 0 | 0 | 0 | 110.1 | C11 L31 | C11-C13 PolarHBondContact SG-SG 3.17Å; C13-L31 HydrophobicContact CB-CB 4.24Å; C13-L31 HydrophobicContact CB-CD2 4.47Å; C13-L31 PolarHBondContact N-O 2.97Å; C13-L31 PolarHBondContact O-N 3.14Å |
| 14 | K | 56.1 | Low | 50.8 | Low | 130 Ų | 130 | 106.9 Ų | 106.9 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82 | 115.4 | 161.2 | -70.3 | -171.4 | -179.6 | -156.9 | 0 | 108.4 | E28 L29 | K14-E28 HydrophobicContact CD-CG 4.47Å; K14-E28 WeakPolarHBondContact CD-OE1 3.27Å; K14-E28 WeakPolarHBondContact CE-OE1 3.48Å; K14-E28 IonicContact NZ-OE1 2.64Å; K14-E28 PolarHBondContact NZ-OE1 3.18Å; K14-L29 CarbonylContact C-O 3.55Å; K14-L29 WeakPolarHBondContact CA-O 3.32Å |
| 15 | V | 55.2 | Low | 51.2 | Low | 63 Ų | 63 | 103.9 Ų | 103.9 | 38% | 0.382 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.6 | 172.3 | -175.5 | 0 | 0 | 0 | 0 | 108 | L29 L31 | V15-L29 HydrophobicContact CB-CB 4.11Å; V15-L29 PolarHBondContact N-O 2.93Å; V15-L29 PolarHBondContact O-N 2.85Å; V15-L31 HydrophobicContact CG2-CB 4.45Å |
| 16 | W | 53.4 | Low | 51.4 | Low | 149 Ų | 149 | 105.7 Ų | 105.7 | 56% | 0.564 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.6 | 174.3 | -59.7 | 80.8 | 0 | 0 | 0 | 107.7 | L26 | W16-L26 HydrophobicContact CE3-CB 3.92Å; W16-L26 HydrophobicContact CE3-CD1 4.27Å; W16-L26 HydrophobicContact CE3-CD2 3.59Å; W16-L26 HydrophobicContact CE3-CG 4.1Å; W16-L26 HydrophobicContact CZ3-CB 3.9Å; W16-L26 HydrophobicContact CZ3-CD1 3.82Å; W16-L26 HydrophobicContact CZ3-CD2 4.03Å; W16-L26 HydrophobicContact CZ3-CG 4.1Å |
| 17 | H | 53.7 | Low | 51.8 | Low | 111 Ų | 111 | 103.1 Ų | 103.1 | 51% | 0.514 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.3 | 171.8 | -168.4 | -93.4 | 0 | 0 | 0 | 110.1 | ||
| 18 | T | 50.4 | Low | 52 | Low | 84 Ų | 84 | 101.1 Ų | 101.1 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 107.6 | 169.1 | 50.7 | 0 | 0 | 0 | 0 | 108.7 | H20 | T18-H20 PolarHBondContact O-N 3.35Å |
| 19 | C | 50.3 | Low | 52.5 | Low | 74 Ų | 74 | 95 Ų | 95 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | trans | -70.1 | 112.4 | 172.3 | -165.8 | 0 | 0 | 0 | 0 | 109.4 | A21 | C19-A21 VanDerWaalsContact C-N 3.26Å; C19-A21 PolarHBondContact O-N 2.93Å | ||
| 20 | H | 44.4 | Very low | 53.1 | Low | 184 Ų | 184 | 95.4 Ų | 95.4 | 85% | 0.852 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -77.2 | 74.7 | 174.2 | -91.2 | -78 | 0 | 0 | 0 | 110.7 | T18 | T18-H20 PolarHBondContact O-N 3.35Š|
| 21 | A | 50.1 | Low | 53.9 | Low | 73 Ų | 73 | 91.8 Ų | 91.8 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -163.3 | 85.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | C19 N23 | C19-A21 VanDerWaalsContact C-N 3.26Å; C19-A21 PolarHBondContact O-N 2.93Å; A21-N23 VanDerWaalsContact C-N 3.27Å; A21-N23 PolarHBondContact O-N 2.83Å |
| 22 | N | 54 | Low | 54.4 | Low | 167 Ų | 167 | 89.9 Ų | 89.9 | 89% | 0.893 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 63 | -7.6 | 162.8 | -65.3 | -9.3 | 0 | 0 | 0 | 120.7 | ||
| 23 | N | 47.7 | Very low | 54.8 | Low | 111 Ų | 111 | 86.9 Ų | 86.9 | 59% | 0.594 | 47% | 0.465 | S | S | * | . | trans | -142 | 107.2 | 167 | -79 | -38.9 | 0 | 0 | 0 | 108.6 | A21 H25 | A21-N23 VanDerWaalsContact C-N 3.27Å; A21-N23 PolarHBondContact O-N 2.83Å; N23-H25 PolarHBondContact O-N 3.04Å | ||
| 24 | A | 49.4 | Very low | 55.2 | Low | 78 Ų | 78 | 85.6 Ų | 85.6 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | trans | -70.4 | 74.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L26 | A24-L26 PolarHBondContact O-N 3.43Å; A24-L26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | H | 48.9 | Very low | 55.6 | Low | 141 Ų | 141 | 84.8 Ų | 84.8 | 65% | 0.653 | 45% | 0.448 | S | S | * | . | trans | -67.2 | 110.1 | 158.4 | -66.6 | -70.5 | 0 | 0 | 0 | 105.9 | N23 L27 | N23-H25 PolarHBondContact O-N 3.04Å; H25-L27 VanDerWaalsContact C-N 3.29Å; H25-L27 PolarHBondContact O-N 3.43Å | ||
| 26 | L | 48 | Very low | 56.1 | Low | 108 Ų | 108 | 84.9 Ų | 84.9 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 99.5 | 167.7 | -69.3 | 161.4 | 0 | 0 | 0 | 106 | W16 A24 E28 | W16-L26 HydrophobicContact CE3-CB 3.92Å; W16-L26 HydrophobicContact CE3-CD1 4.27Å; W16-L26 HydrophobicContact CE3-CD2 3.59Å; W16-L26 HydrophobicContact CE3-CG 4.1Å; W16-L26 HydrophobicContact CZ3-CB 3.9Å; W16-L26 HydrophobicContact CZ3-CD1 3.82Å; W16-L26 HydrophobicContact CZ3-CD2 4.03Å; W16-L26 HydrophobicContact CZ3-CG 4.1Å; A24-L26 PolarHBondContact O-N 3.43Å; A24-L26 VanDerWaalsContact O-N 3.14Å; L26-E28 PolarHBondContact O-N 2.91Å; L26-E28 VanDerWaalsContact O-N 3.17Å |
| 27 | L | 53.9 | Low | 56.9 | Low | 44 Ų | 44 | 85.8 Ų | 85.8 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 101.3 | 170.9 | -172 | 68.4 | 0 | 0 | 0 | 106.2 | H25 L29 | H25-L27 VanDerWaalsContact C-N 3.29Å; H25-L27 PolarHBondContact O-N 3.43Å; L27-L29 HydrophobicContact CD2-CD1 4.32Å; L27-L29 HydrophobicContact CD2-CD2 3.76Å; L27-L29 HydrophobicContact CD2-CG 4.09Å; L27-L29 HydrophobicContact CG-CD2 3.89Å; L27-L29 HydrophobicContact CG-CG 4.07Å; L27-L29 PolarHBondContact O-N 3.32Å |
| 28 | E | 55.9 | Low | 57.6 | Low | 47 Ų | 47 | 86.8 Ų | 86.8 | 22% | 0.22 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 112 | 171.3 | -169.7 | 178.3 | 169.9 | 0 | 0 | 107.9 | K14 L26 F47 | K14-E28 HydrophobicContact CD-CG 4.47Å; K14-E28 WeakPolarHBondContact CD-OE1 3.27Å; K14-E28 WeakPolarHBondContact CE-OE1 3.48Å; K14-E28 IonicContact NZ-OE1 2.64Å; K14-E28 PolarHBondContact NZ-OE1 3.18Å; L26-E28 PolarHBondContact O-N 2.91Å; L26-E28 VanDerWaalsContact O-N 3.17Å; E28-F47 HydrophobicContact CB-CD2 3.76Å; E28-F47 HydrophobicContact CB-CE2 3.95Å; E28-F47 HydrophobicContact CG-CD2 3.94Å; E28-F47 HydrophobicContact CG-CE2 3.59Å |
| 29 | L | 61.5 | Low | 58.2 | Low | 17 Ų | 17 | 85.7 Ų | 85.7 | 9% | 0.089 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.4 | 175.8 | -65.5 | 174.1 | 0 | 0 | 0 | 109.2 | K14 V15 L27 I44 S45 | K14-L29 CarbonylContact C-O 3.55Å; K14-L29 WeakPolarHBondContact CA-O 3.32Å; V15-L29 HydrophobicContact CB-CB 4.11Å; V15-L29 PolarHBondContact N-O 2.93Å; V15-L29 PolarHBondContact O-N 2.85Å; L27-L29 HydrophobicContact CD2-CD1 4.32Å; L27-L29 HydrophobicContact CD2-CD2 3.76Å; L27-L29 HydrophobicContact CD2-CG 4.09Å; L27-L29 HydrophobicContact CG-CD2 3.89Å; L27-L29 HydrophobicContact CG-CG 4.07Å; L27-L29 PolarHBondContact O-N 3.32Å; L29-I44 HydrophobicContact CB-CG2 4.44Å; L29-I44 HydrophobicContact CD1-CG2 4.29Å; L29-I44 HydrophobicContact CD2-CG2 3.99Å; L29-I44 HydrophobicContact CG-CG2 4.48Å; L29-S45 CarbonylContact C-O 3.53Å; L29-S45 WeakPolarHBondContact CA-O 3.42Å |
| 30 | M | 63.3 | Low | 59.1 | Low | 79 Ų | 79 | 82.3 Ų | 82.3 | 39% | 0.389 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.7 | 165.7 | -68.7 | -175 | 66.8 | 0 | 0 | 108.8 | I12 I44 S45 | I12-M30 HydrophobicContact CG2-CE 3.86Å; M30-I44 WeakPolarHBondContact O-CA 3.45Å; M30-S45 PolarHBondContact N-O 2.84Å; M30-S45 PolarHBondContact O-N 2.89Å |
| 31 | L | 67.2 | Low | 60.1 | Low | 53 Ų | 53 | 76.5 Ų | 76.5 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.3 | 168.1 | -174.5 | 79.8 | 0 | 0 | 0 | 108.3 | I12 C13 V15 I42 I43 I44 | I12-L31 VanDerWaalsContact CA-O 3.27Å; I12-L31 WeakPolarHBondContact CA-O 3.22Å; C13-L31 HydrophobicContact CB-CB 4.24Å; C13-L31 HydrophobicContact CB-CD2 4.47Å; C13-L31 PolarHBondContact N-O 2.97Å; C13-L31 PolarHBondContact O-N 3.14Å; V15-L31 HydrophobicContact CG2-CB 4.45Å; L31-I42 HydrophobicContact CD1-CG2 3.4Å; L31-I42 VanDerWaalsContact CD1-CG2 3.4Å; L31-I42 HydrophobicContact CG-CG2 4.44Å; L31-I43 CarbonylContact C-O 3.45Å; L31-I43 VanDerWaalsContact CA-O 3.31Å; L31-I43 WeakPolarHBondContact CA-O 3.47Å; L31-I44 HydrophobicContact CD1-CD1 4.14Å; L31-I44 HydrophobicContact CD1-CG1 3.49Å; L31-I44 VanDerWaalsContact CD1-CG1 3.49Å |
| 32 | A | 65.1 | Low | 60.9 | Low | 19 Ų | 19 | 74.3 Ų | 74.3 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | V9 C11 I43 | V9-A32 HydrophobicContact CG1-CB 4.31Å; C11-A32 WeakPolarHBondContact O-CA 3.24Å; A32-I43 HydrophobicContact CB-CB 4.32Å; A32-I43 PolarHBondContact N-O 3.38Å; A32-I43 PolarHBondContact O-N 3.17Å |
| 33 | L | 65.5 | Low | 61.5 | Low | 41 Ų | 41 | 68.6 Ų | 68.6 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.8 | 170 | -176.2 | 67.5 | 0 | 0 | 0 | 109 | H10 C11 W35 A40 W41 I42 | H10-L33 PolarHBondContact N-O 3.45Å; C11-L33 PolarHBondContact O-N 2.84Å; L33-W35 VanDerWaalsContact CD2-CE2 3.49Å; L33-W35 HydrophobicContact CD2-CH2 4.38Å; L33-W35 HydrophobicContact CD2-CZ2 3.31Å; L33-W35 HydrophobicContact CG-CZ2 4.09Å; L33-A40 HydrophobicContact CD1-CB 4.36Å; L33-W41 WeakPolarHBondContact CA-O 3.36Å; L33-I42 HydrophobicContact CD1-CD1 4.38Å; L33-I42 HydrophobicContact CD1-CG1 3.52Å |
| 34 | I | 66.2 | Low | 62.4 | Low | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.2 | -178.8 | -55.3 | -172.9 | 0 | 0 | 0 | 108.6 | F7 A40 W41 I43 | F7-I34 HydrophobicContact CB-CG2 3.24Å; F7-I34 HydrophobicContact CD1-CG2 3.98Å; F7-I34 HydrophobicContact CD2-CG2 4.38Å; F7-I34 HydrophobicContact CG-CG2 3.65Å; I34-A40 CarbonylContact O-C 3.6Å; I34-A40 VanDerWaalsContact O-CA 3.32Å; I34-A40 WeakPolarHBondContact O-CA 3.27Å; I34-W41 HydrophobicContact CB-CB 4.37Å; I34-W41 HydrophobicContact CB-CE3 4.13Å; I34-W41 HydrophobicContact CG2-CE3 3.91Å; I34-W41 HydrophobicContact CG2-CZ3 4.34Å; I34-W41 PolarHBondContact N-O 3.19Å; I34-W41 PolarHBondContact O-N 2.89Å; I34-I43 HydrophobicContact CD1-CD1 3.47Å; I34-I43 VanDerWaalsContact CD1-CD1 3.47Å; I34-I43 HydrophobicContact CD1-CG1 4.42Å; I34-I43 HydrophobicContact CG1-CD1 4.3Å |
| 35 | W | 64.5 | Low | 63.1 | Low | 112 Ų | 112 | 62 Ų | 62 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138 | -178.6 | -54.7 | 76 | 0 | 0 | 0 | 110.2 | H10 L33 A40 I58 | H10-W35 AromaticContact CG-NE1 3.62Å; L33-W35 VanDerWaalsContact CD2-CE2 3.49Å; L33-W35 HydrophobicContact CD2-CH2 4.38Å; L33-W35 HydrophobicContact CD2-CZ2 3.31Å; L33-W35 HydrophobicContact CG-CZ2 4.09Å; W35-A40 HydrophobicContact CE3-CB 4.21Å; W35-I58 HydrophobicContact CE3-CD1 4.07Å; W35-I58 HydrophobicContact CZ3-CD1 3.99Å |
| 36 | H | 64.2 | Low | 63.9 | Low | 66 Ų | 66 | 55.9 Ų | 55.9 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 116.1 | 167.7 | -172.4 | -84.2 | 0 | 0 | 0 | 110 | F7 D38 V39 W41 | F7-H36 HydrophobicContact CD1-CB 3.71Å; F7-H36 AromaticContact CD1-CD2 3.82Å; F7-H36 HydrophobicContact CE1-CB 3.6Å; F7-H36 AromaticContact CE1-CD2 3.6Å; F7-H36 AromaticContact CE1-CG 3.73Å; H36-D38 PolarHBondContact O-N 3.06Å; H36-D38 VanDerWaalsContact O-N 3.14Å; H36-V39 PolarHBondContact N-O 2.95Å; H36-V39 PolarHBondContact O-N 3.14Å; H36-W41 HydrophobicContact CB-CH2 3.84Å; H36-W41 HydrophobicContact CB-CZ3 3.57Å |
| 37 | E | 70.7 | Confident | 64.6 | Low | 167 Ų | 167 | 57.3 Ų | 57.3 | 78% | 0.78 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -119.2 | -178 | -60.6 | 170.7 | 170.4 | 0 | 0 | 110.4 | ||
| 38 | D | 67.7 | Low | 64.9 | Low | 132 Ų | 132 | 59.8 Ų | 59.8 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 6 | -178 | -57.8 | -42.8 | 0 | 0 | 0 | 113.7 | H36 I58 | H36-D38 PolarHBondContact O-N 3.06Å; H36-D38 VanDerWaalsContact O-N 3.14Å; D38-I58 WeakPolarHBondContact O-CD1 3.09Å; D38-I58 WeakPolarHBondContact O-CG1 3.4Å |
| 39 | V | 64.5 | Low | 65 | Low | 61 Ų | 61 | 62.9 Ų | 62.9 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.2 | -177.2 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | H36 W41 | H36-V39 PolarHBondContact N-O 2.95Å; H36-V39 PolarHBondContact O-N 3.14Å; V39-W41 HydrophobicContact CB-CH2 4.25Å; V39-W41 HydrophobicContact CB-CZ2 4.26Å; V39-W41 HydrophobicContact CG1-CD2 4.24Å; V39-W41 HydrophobicContact CG1-CH2 4.01Å; V39-W41 HydrophobicContact CG1-CZ2 3.57Å; V39-W41 HydrophobicContact CG1-CZ3 4.5Å |
| 40 | A | 67.7 | Low | 64.8 | Low | 3 Ų | 3 | 68.1 Ų | 68.1 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 145.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L33 I34 W35 I56 I58 | L33-A40 HydrophobicContact CD1-CB 4.36Å; I34-A40 CarbonylContact O-C 3.6Å; I34-A40 VanDerWaalsContact O-CA 3.32Å; I34-A40 WeakPolarHBondContact O-CA 3.27Å; W35-A40 HydrophobicContact CE3-CB 4.21Å; A40-I56 HydrophobicContact CB-CB 4.3Å; A40-I56 PolarHBondContact N-O 3.05Å; A40-I56 WeakPolarHBondContact O-CA 3.2Å; A40-I56 VanDerWaalsContact O-CB 3.27Å; A40-I56 WeakPolarHBondContact O-CB 2.98Å; A40-I56 PolarHBondContact O-N 3.26Å; A40-I58 HydrophobicContact CB-CD1 4.07Å; A40-I58 HydrophobicContact CB-CG1 4.09Å |
| 41 | W | 65.4 | Low | 64.5 | Low | 62 Ų | 62 | 68 Ų | 68 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.8 | 170.5 | -60.5 | -83.4 | 0 | 0 | 0 | 109.3 | F7 L33 I34 H36 V39 D55 | F7-W41 AromaticContact CD1-CZ3 3.92Å; F7-W41 HydrophobicContact CD1-CZ3 3.92Å; F7-W41 AromaticContact CE1-CH2 3.76Å; F7-W41 HydrophobicContact CE1-CH2 3.76Å; F7-W41 AromaticContact CE1-CZ3 3.55Å; F7-W41 HydrophobicContact CE1-CZ3 3.55Å; F7-W41 HydrophobicContact CZ-CH2 4.2Å; F7-W41 HydrophobicContact CZ-CZ3 4.21Å; L33-W41 WeakPolarHBondContact CA-O 3.36Å; I34-W41 HydrophobicContact CB-CB 4.37Å; I34-W41 HydrophobicContact CB-CE3 4.13Å; I34-W41 HydrophobicContact CG2-CE3 3.91Å; I34-W41 HydrophobicContact CG2-CZ3 4.34Å; I34-W41 PolarHBondContact N-O 3.19Å; I34-W41 PolarHBondContact O-N 2.89Å; H36-W41 HydrophobicContact CB-CH2 3.84Å; H36-W41 HydrophobicContact CB-CZ3 3.57Å; V39-W41 HydrophobicContact CB-CH2 4.25Å; V39-W41 HydrophobicContact CB-CZ2 4.26Å; V39-W41 HydrophobicContact CG1-CD2 4.24Å; V39-W41 HydrophobicContact CG1-CH2 4.01Å; V39-W41 HydrophobicContact CG1-CZ2 3.57Å; V39-W41 HydrophobicContact CG1-CZ3 4.5Å; W41-D55 PolarHBondContact NE1-OD1 3.38Å |
| 42 | I | 68.1 | Low | 64.1 | Low | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.2 | 160.8 | -72.3 | 168.4 | 0 | 0 | 0 | 107.7 | L31 L33 I44 K54 I56 I64 F66 | L31-I42 HydrophobicContact CD1-CG2 3.4Å; L31-I42 VanDerWaalsContact CD1-CG2 3.4Å; L31-I42 HydrophobicContact CG-CG2 4.44Å; L33-I42 HydrophobicContact CD1-CD1 4.38Å; L33-I42 HydrophobicContact CD1-CG1 3.52Å; I42-I44 HydrophobicContact CG2-CG1 4.12Å; I42-K54 PolarHBondContact N-O 2.77Å; I42-K54 PolarHBondContact O-N 2.87Å; I42-I56 HydrophobicContact CB-CD1 3.85Å; I42-I56 HydrophobicContact CD1-CD1 3.38Å; I42-I56 HydrophobicContact CG1-CD1 3.34Å; I42-I64 HydrophobicContact CD1-CD1 4.24Å; I42-F66 HydrophobicContact CB-CE2 3.97Å; I42-F66 HydrophobicContact CB-CZ 3.64Å; I42-F66 HydrophobicContact CD1-CE2 3.86Å; I42-F66 HydrophobicContact CD1-CZ 4.26Å; I42-F66 HydrophobicContact CG2-CD2 4.47Å; I42-F66 HydrophobicContact CG2-CE1 4.32Å; I42-F66 HydrophobicContact CG2-CE2 3.44Å; I42-F66 VanDerWaalsContact CG2-CE2 3.44Å; I42-F66 HydrophobicContact CG2-CZ 3.36Å |
| 43 | I | 66.4 | Low | 63.9 | Low | 47 Ų | 47 | 76.6 Ų | 76.6 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.6 | 171.9 | -55.6 | -179.8 | 0 | 0 | 0 | 107.5 | L31 A32 I34 T51 | L31-I43 CarbonylContact C-O 3.45Å; L31-I43 VanDerWaalsContact CA-O 3.31Å; L31-I43 WeakPolarHBondContact CA-O 3.47Å; A32-I43 HydrophobicContact CB-CB 4.32Å; A32-I43 PolarHBondContact N-O 3.38Å; A32-I43 PolarHBondContact O-N 3.17Å; I34-I43 HydrophobicContact CD1-CD1 3.47Å; I34-I43 VanDerWaalsContact CD1-CD1 3.47Å; I34-I43 HydrophobicContact CD1-CG1 4.42Å; I34-I43 HydrophobicContact CG1-CD1 4.3Å; I43-T51 HydrophobicContact CG2-CG2 3.71Å |
| 44 | I | 66.4 | Low | 63.3 | Low | 16 Ų | 16 | 80.3 Ų | 80.3 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114.3 | 168.3 | -62.6 | 173.4 | 0 | 0 | 0 | 106.6 | L29 M30 L31 I42 T51 L52 F66 | L29-I44 HydrophobicContact CB-CG2 4.44Å; L29-I44 HydrophobicContact CD1-CG2 4.29Å; L29-I44 HydrophobicContact CD2-CG2 3.99Å; L29-I44 HydrophobicContact CG-CG2 4.48Å; M30-I44 WeakPolarHBondContact O-CA 3.45Å; L31-I44 HydrophobicContact CD1-CD1 4.14Å; L31-I44 HydrophobicContact CD1-CG1 3.49Å; L31-I44 VanDerWaalsContact CD1-CG1 3.49Å; I42-I44 HydrophobicContact CG2-CG1 4.12Å; I44-T51 CarbonylContact O-C 3.57Å; I44-T51 WeakPolarHBondContact O-CA 3.31Å; I44-L52 HydrophobicContact CB-CB 4.49Å; I44-L52 PolarHBondContact N-O 3.04Å; I44-L52 PolarHBondContact O-N 3.34Å; I44-L52 VanDerWaalsContact O-O 3.11Å; I44-F66 HydrophobicContact CD1-CB 3.61Å; I44-F66 HydrophobicContact CD1-CD1 3.51Å; I44-F66 HydrophobicContact CD1-CD2 3.56Å; I44-F66 HydrophobicContact CD1-CE1 4Å; I44-F66 HydrophobicContact CD1-CE2 4.06Å; I44-F66 HydrophobicContact CD1-CG 3.25Å; I44-F66 HydrophobicContact CD1-CZ 4.27Å |
| 45 | S | 65.3 | Low | 62.8 | Low | 34 Ų | 34 | 83.9 Ų | 83.9 | 24% | 0.238 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.1 | 176.9 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | L29 M30 T51 | L29-S45 CarbonylContact C-O 3.53Å; L29-S45 WeakPolarHBondContact CA-O 3.42Å; M30-S45 PolarHBondContact N-O 2.84Å; M30-S45 PolarHBondContact O-N 2.89Å; S45-T51 PolarHBondContact OG-OG1 2.79Å |
| 46 | S | 63.8 | Low | 62.4 | Low | 12 Ų | 12 | 79.7 Ų | 79.7 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 150.9 | 169 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | N48 S49 Q50 | S46-N48 WeakPolarHBondContact CB-OD1 3.45Å; S46-N48 PolarHBondContact O-N 2.64Å; S46-N48 VanDerWaalsContact O-N 3.15Å; S46-N48 PolarHBondContact OG-OD1 3.31Å; S46-S49 PolarHBondContact O-N 3.17Å; S46-Q50 PolarHBondContact N-O 3Å; S46-Q50 PolarHBondContact OG-N 2.86Å; S46-Q50 PolarHBondContact OG-O 3.21Å |
| 47 | F | 62.6 | Low | 61.8 | Low | 138 Ų | 138 | 81 Ų | 81 | 61% | 0.605 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.9 | 174.8 | -80.2 | -89.7 | 0 | 0 | 0 | 113.7 | E28 S49 | E28-F47 HydrophobicContact CB-CD2 3.76Å; E28-F47 HydrophobicContact CB-CE2 3.95Å; E28-F47 HydrophobicContact CG-CD2 3.94Å; E28-F47 HydrophobicContact CG-CE2 3.59Å; F47-S49 PolarHBondContact O-N 2.9Å |
| 48 | N | 61.9 | Low | 60.9 | Low | 97 Ų | 97 | 76.2 Ų | 76.2 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 29.1 | 177.4 | 65.5 | -4.5 | 0 | 0 | 0 | 113.6 | S46 Q50 | S46-N48 WeakPolarHBondContact CB-OD1 3.45Å; S46-N48 PolarHBondContact O-N 2.64Å; S46-N48 VanDerWaalsContact O-N 3.15Å; S46-N48 PolarHBondContact OG-OD1 3.31Å; N48-Q50 PolarHBondContact O-N 2.51Å |
| 49 | S | 57.6 | Low | 60.3 | Low | 112 Ų | 112 | 78.4 Ų | 78.4 | 78% | 0.783 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 76.6 | 6.3 | 167.5 | -41.7 | 0 | 0 | 0 | 0 | 116.7 | S46 F47 | S46-S49 PolarHBondContact O-N 3.17Å; F47-S49 PolarHBondContact O-N 2.9Å |
| 50 | Q | 57.5 | Low | 59.6 | Low | 127 Ų | 127 | 79 Ų | 79 | 59% | 0.593 | 40% | 0.401 | S | S | * | . | trans | -96.3 | 107.9 | 173.7 | -64.8 | -170.2 | 14.2 | 0 | 0 | 109.8 | S46 N48 | S46-Q50 PolarHBondContact N-O 3Å; S46-Q50 PolarHBondContact OG-N 2.86Å; S46-Q50 PolarHBondContact OG-O 3.21Å; N48-Q50 PolarHBondContact O-N 2.51Å | ||
| 51 | T | 56.2 | Low | 58.2 | Low | 77 Ų | 77 | 84.8 Ų | 84.8 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.3 | 170.6 | -58.9 | 0 | 0 | 0 | 0 | 108.6 | I43 I44 S45 | I43-T51 HydrophobicContact CG2-CG2 3.71Å; I44-T51 CarbonylContact O-C 3.57Å; I44-T51 WeakPolarHBondContact O-CA 3.31Å; S45-T51 PolarHBondContact OG-OG1 2.79Å |
| 52 | L | 59.9 | Low | 57.1 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 40% | 0.398 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.9 | 169.8 | -65.9 | 169.5 | 0 | 0 | 0 | 108.1 | I44 V68 | I44-L52 HydrophobicContact CB-CB 4.49Å; I44-L52 PolarHBondContact N-O 3.04Å; I44-L52 PolarHBondContact O-N 3.34Å; I44-L52 VanDerWaalsContact O-O 3.11Å; L52-V68 HydrophobicContact CD1-CG2 4.28Å |
| 53 | Y | 59.3 | Low | 56.1 | Low | 175 Ų | 175 | 95.9 Ų | 95.9 | 69% | 0.686 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.8 | 172.1 | 66.3 | -86.7 | 0 | 0 | 0 | 109.4 | ||
| 54 | K | 54.1 | Low | 55.2 | Low | 120 Ų | 120 | 96.7 Ų | 96.7 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 124.5 | 171.8 | -175.5 | 64.6 | 179 | 176.8 | 0 | 109.9 | I42 F66 | I42-K54 PolarHBondContact N-O 2.77Å; I42-K54 PolarHBondContact O-N 2.87Å; K54-F66 HydrophobicContact CB-CE1 3.58Å; K54-F66 HydrophobicContact CB-CZ 3.88Å; K54-F66 HydrophobicContact CG-CE1 4.35Å |
| 55 | D | 55.5 | Low | 54.1 | Low | 99 Ų | 99 | 102 Ų | 102 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 135 | 167.9 | -59.5 | -39.6 | 0 | 0 | 0 | 109.6 | W41 | W41-D55 PolarHBondContact NE1-OD1 3.38Å |
| 56 | I | 56.1 | Low | 53 | Low | 25 Ų | 25 | 103.4 Ų | 103.4 | 13% | 0.128 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.5 | 178.7 | -51.8 | 170.1 | 0 | 0 | 0 | 107.5 | A40 I42 I64 | A40-I56 HydrophobicContact CB-CB 4.3Å; A40-I56 PolarHBondContact N-O 3.05Å; A40-I56 WeakPolarHBondContact O-CA 3.2Å; A40-I56 VanDerWaalsContact O-CB 3.27Å; A40-I56 WeakPolarHBondContact O-CB 2.98Å; A40-I56 PolarHBondContact O-N 3.26Å; I42-I56 HydrophobicContact CB-CD1 3.85Å; I42-I56 HydrophobicContact CD1-CD1 3.38Å; I42-I56 HydrophobicContact CG1-CD1 3.34Å; I56-I64 HydrophobicContact CB-CD1 3.85Å; I56-I64 HydrophobicContact CD1-CD1 3.15Å; I56-I64 HydrophobicContact CG1-CD1 3.22Å; I56-I64 HydrophobicContact CG2-CD1 3.42Å; I56-I64 VanDerWaalsContact CG2-CD1 3.42Å |
| 57 | N | 52.4 | Low | 51.7 | Low | 93 Ų | 93 | 111.6 Ų | 111.6 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84 | 119.5 | 165 | -170.6 | -15.1 | 0 | 0 | 0 | 108.7 | E59 T60 | N57-E59 VanDerWaalsContact C-N 3.28Å; N57-E59 PolarHBondContact O-N 3.15Å; N57-E59 PolarHBondContact OD1-N 2.98Å; N57-E59 VanDerWaalsContact OD1-N 3.11Å; N57-T60 PolarHBondContact O-OG1 2.77Å |
| 58 | I | 50.6 | Low | 50.4 | Low | 67 Ų | 67 | 108.2 Ų | 108.2 | 34% | 0.344 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -25.3 | -176.8 | -61.3 | 177.3 | 0 | 0 | 0 | 111.9 | W35 D38 A40 T60 | W35-I58 HydrophobicContact CE3-CD1 4.07Å; W35-I58 HydrophobicContact CZ3-CD1 3.99Å; D38-I58 WeakPolarHBondContact O-CD1 3.09Å; D38-I58 WeakPolarHBondContact O-CG1 3.4Å; A40-I58 HydrophobicContact CB-CD1 4.07Å; A40-I58 HydrophobicContact CB-CG1 4.09Å; I58-T60 CarbonylContact O-C 3.56Å; I58-T60 PolarHBondContact O-N 3.14Å |
| 59 | E | 54.8 | Low | 49.2 | Very low | 177 Ų | 177 | 116 Ų | 116 | 83% | 0.827 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -25.3 | 179.9 | -71.1 | -170.7 | 158.4 | 0 | 0 | 112.6 | N57 | N57-E59 VanDerWaalsContact C-N 3.28Å; N57-E59 PolarHBondContact O-N 3.15Å; N57-E59 PolarHBondContact OD1-N 2.98Å; N57-E59 VanDerWaalsContact OD1-N 3.11Å |
| 60 | T | 50 | Low | 48.8 | Very low | 75 Ų | 75 | 116.3 Ų | 116.3 | 46% | 0.46 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -107.5 | 103.1 | 169.6 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | N57 I58 Q62 | N57-T60 PolarHBondContact O-OG1 2.77Å; I58-T60 CarbonylContact O-C 3.56Å; I58-T60 PolarHBondContact O-N 3.14Å; T60-Q62 PolarHBondContact O-N 3.24Å |
| 61 | S | 39 | Very low | 48.3 | Very low | 123 Ų | 123 | 115.7 Ų | 115.7 | 86% | 0.86 | 57% | 0.571 | S | S | * | * | trans | -67.2 | 65.8 | 169.8 | -37 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 62 | Q | 42.5 | Very low | 47.9 | Very low | 144 Ų | 144 | 117.8 Ų | 117.8 | 67% | 0.673 | 58% | 0.577 | S | S | * | * | trans | -99.7 | 131.7 | 177.7 | -69.5 | -174.1 | -1.9 | 0 | 0 | 108.9 | T60 I64 | T60-Q62 PolarHBondContact O-N 3.24Å; Q62-I64 PolarHBondContact O-N 2.89Å | ||
| 63 | H | 47.4 | Very low | 47.2 | Very low | 179 Ų | 179 | 120.3 Ų | 120.3 | 83% | 0.829 | 59% | 0.587 | S | S | * | * | trans | -53.3 | 121.3 | 164.5 | -64.8 | -82 | 0 | 0 | 0 | 108.5 | L65 | H63-L65 HydrophobicContact CB-CD1 4.44Š| ||
| 64 | I | 47.4 | Very low | 46.4 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 33% | 0.333 | 58% | 0.581 | S | S | . | * | trans | -93.8 | 110.2 | 176.2 | -64.6 | 152.3 | 0 | 0 | 0 | 108 | I42 I56 Q62 F66 | I42-I64 HydrophobicContact CD1-CD1 4.24Å; I56-I64 HydrophobicContact CB-CD1 3.85Å; I56-I64 HydrophobicContact CD1-CD1 3.15Å; I56-I64 HydrophobicContact CG1-CD1 3.22Å; I56-I64 HydrophobicContact CG2-CD1 3.42Å; I56-I64 VanDerWaalsContact CG2-CD1 3.42Å; Q62-I64 PolarHBondContact O-N 2.89Å; I64-F66 HydrophobicContact CB-CE2 4.24Å; I64-F66 HydrophobicContact CG2-CD2 3.93Å; I64-F66 HydrophobicContact CG2-CE1 4.38Å; I64-F66 HydrophobicContact CG2-CE2 3.36Å; I64-F66 HydrophobicContact CG2-CZ 3.61Å | ||
| 65 | L | 41.7 | Very low | 45.9 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | trans | -88.2 | 127.2 | 168.5 | -75 | 95.9 | 0 | 0 | 0 | 109.3 | H63 F67 | H63-L65 HydrophobicContact CB-CD1 4.44Å; L65-F67 HydrophobicContact CB-CE2 4.35Å | ||
| 66 | F | 43.5 | Very low | 45.2 | Very low | 62 Ų | 62 | 117.9 Ų | 117.9 | 27% | 0.272 | 59% | 0.589 | S | S | . | * | trans | -98.9 | 130.3 | 168.4 | -67.8 | -92.3 | 0 | 0 | 0 | 109.4 | I42 I44 K54 I64 | I42-F66 HydrophobicContact CB-CE2 3.97Å; I42-F66 HydrophobicContact CB-CZ 3.64Å; I42-F66 HydrophobicContact CD1-CE2 3.86Å; I42-F66 HydrophobicContact CD1-CZ 4.26Å; I42-F66 HydrophobicContact CG2-CD2 4.47Å; I42-F66 HydrophobicContact CG2-CE1 4.32Å; I42-F66 HydrophobicContact CG2-CE2 3.44Å; I42-F66 VanDerWaalsContact CG2-CE2 3.44Å; I42-F66 HydrophobicContact CG2-CZ 3.36Å; I44-F66 HydrophobicContact CD1-CB 3.61Å; I44-F66 HydrophobicContact CD1-CD1 3.51Å; I44-F66 HydrophobicContact CD1-CD2 3.56Å; I44-F66 HydrophobicContact CD1-CE1 4Å; I44-F66 HydrophobicContact CD1-CE2 4.06Å; I44-F66 HydrophobicContact CD1-CG 3.25Å; I44-F66 HydrophobicContact CD1-CZ 4.27Å; K54-F66 HydrophobicContact CB-CE1 3.58Å; K54-F66 HydrophobicContact CB-CZ 3.88Å; K54-F66 HydrophobicContact CG-CE1 4.35Å; I64-F66 HydrophobicContact CB-CE2 4.24Å; I64-F66 HydrophobicContact CG2-CD2 3.93Å; I64-F66 HydrophobicContact CG2-CE1 4.38Å; I64-F66 HydrophobicContact CG2-CE2 3.36Å; I64-F66 HydrophobicContact CG2-CZ 3.61Å | ||
| 67 | F | 35.2 | Very low | 44.4 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 81% | 0.811 | 62% | 0.624 | S | S | * | * | trans | -102.1 | 110.9 | 166.1 | -64.2 | -87.9 | 0 | 0 | 0 | 107.5 | L65 | L65-F67 HydrophobicContact CB-CE2 4.35Š| ||
| 68 | V | 36.6 | Very low | 43.7 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 40% | 0.4 | 64% | 0.635 | S | S | . | * | trans | -88.2 | 125.5 | 166.9 | -172.8 | 0 | 0 | 0 | 0 | 106.5 | L52 | L52-V68 HydrophobicContact CD1-CG2 4.28Š| ||
| 69 | K | 35.6 | Very low | 43.1 | Very low | 262 Ų | 262 | 133.3 Ų | 133.3 | 100% | 1.139 | 66% | 0.661 | S | S | * | * | trans | -82.7 | 0 | 172.7 | -176 | 178.6 | 177.3 | -178.5 | 0 | 110.3 |
Retrieved 69 of 69 residues in 39.2 ms
(Link to these results)