| 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 | 51.9 | Low | 75 | Confident | 232 Ų | 232 | 123.6 Ų | 123.6 | 100% | 1.143 | 68% | 0.683 | S | S | * | * | 0 | 117.4 | 0 | -78.7 | 175.7 | 166 | 0 | 0 | 107.6 | R3 | M1-R3 PolarHBondContact O-N 2.98Š| |||
| 2 | T | 55.8 | Low | 75.9 | Confident | 128 Ų | 128 | 116.8 Ų | 116.8 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -65 | 120.8 | 168.4 | 40.2 | 0 | 0 | 0 | 0 | 107.4 | C12 | T2-C12 PolarHBondContact O-SG 3.21Š|
| 3 | R | 65.3 | Low | 76.6 | Confident | 210 Ų | 210 | 117.2 Ų | 117.2 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 147.3 | 172.3 | -74.7 | -178.7 | 175.4 | 172.2 | -1.4 | 108.3 | M1 S5 | M1-R3 PolarHBondContact O-N 2.98Å; R3-S5 PolarHBondContact O-N 3.14Å |
| 4 | S | 72.8 | Confident | 77.3 | Confident | 36 Ų | 36 | 117.6 Ų | 117.6 | 25% | 0.252 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -61 | 133.4 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | L6 C12 | S4-L6 PolarHBondContact O-N 2.92Å; S4-L6 PolarHBondContact OG-N 2.87Å; S4-C12 PolarHBondContact N-SG 3.47Å |
| 5 | S | 81.3 | Confident | 78 | Confident | 128 Ų | 128 | 114 Ų | 114 | 90% | 0.895 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -70.6 | -15.3 | 177.1 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | R3 | R3-S5 PolarHBondContact O-N 3.14Š|
| 6 | L | 78.5 | Confident | 78.7 | Confident | 145 Ų | 145 | 115.1 Ų | 115.1 | 76% | 0.759 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -83.9 | -51.3 | -177.3 | -135.5 | 100.4 | 0 | 0 | 0 | 112.1 | S4 I10 | S4-L6 PolarHBondContact O-N 2.92Å; S4-L6 PolarHBondContact OG-N 2.87Å; L6-I10 HydrophobicContact CB-CD1 4Å; L6-I10 HydrophobicContact CD2-CD1 3.91Å |
| 7 | H | 86.3 | Confident | 79.4 | Confident | 102 Ų | 102 | 111.4 Ų | 111.4 | 47% | 0.472 | 64% | 0.637 | S | S | . | * | trans | -160.1 | 141.1 | 177.8 | -169.6 | -97.6 | 0 | 0 | 0 | 111 | S9 I10 | H7-S9 PolarHBondContact CE1-OG 3.35Å; H7-S9 WeakPolarHBondContact ND1-CB 3.32Å; H7-S9 PolarHBondContact ND1-N 2.67Å; H7-S9 VanDerWaalsContact ND1-N 3.15Å; H7-S9 PolarHBondContact ND1-OG 3.37Å; H7-S9 PolarHBondContact O-N 3.43Å; H7-I10 HydrophobicContact CB-CD1 3.82Å; H7-I10 HydrophobicContact CB-CG1 4.13Å; H7-I10 PolarHBondContact O-N 2.95Å | ||
| 8 | P | 83.4 | Confident | 80 | Confident | 97 Ų | 97 | 109.8 Ų | 109.8 | 63% | 0.63 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -28.7 | -178.4 | -25.5 | 34.5 | 0 | 0 | 0 | 115.2 | I10 | P8-I10 VanDerWaalsContact C-N 3.31Š|
| 9 | S | 84.1 | Confident | 80.6 | Confident | 98 Ų | 98 | 111.2 Ų | 111.2 | 69% | 0.685 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -7.7 | 179 | -46.4 | 0 | 0 | 0 | 0 | 114.1 | H7 | H7-S9 PolarHBondContact CE1-OG 3.35Å; H7-S9 WeakPolarHBondContact ND1-CB 3.32Å; H7-S9 PolarHBondContact ND1-N 2.67Å; H7-S9 VanDerWaalsContact ND1-N 3.15Å; H7-S9 PolarHBondContact ND1-OG 3.37Å; H7-S9 PolarHBondContact O-N 3.43Å |
| 10 | I | 81.2 | Confident | 81.3 | Confident | 74 Ų | 74 | 113.2 Ų | 113.2 | 38% | 0.379 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -81.4 | 122.4 | 176.8 | -67.7 | 167.4 | 0 | 0 | 0 | 108.3 | L6 H7 P8 | L6-I10 HydrophobicContact CB-CD1 4Å; L6-I10 HydrophobicContact CD2-CD1 3.91Å; H7-I10 HydrophobicContact CB-CD1 3.82Å; H7-I10 HydrophobicContact CB-CG1 4.13Å; H7-I10 PolarHBondContact O-N 2.95Å; P8-I10 VanDerWaalsContact C-N 3.31Å |
| 11 | P | 84 | Confident | 82 | Confident | 110 Ų | 110 | 110.8 Ų | 110.8 | 71% | 0.714 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 140.2 | 179.9 | 26.9 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 12 | C | 85.7 | Confident | 84 | Confident | 42 Ų | 42 | 102.5 Ų | 102.5 | 28% | 0.284 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 156.6 | 169.7 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | T2 S4 R14 | T2-C12 PolarHBondContact O-SG 3.21Å; S4-C12 PolarHBondContact N-SG 3.47Å; C12-R14 PolarHBondContact O-N 3.37Å |
| 13 | P | 85.3 | Confident | 85.8 | Confident | 121 Ų | 121 | 101.7 Ų | 101.7 | 79% | 0.786 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 141.4 | 172.1 | -24.7 | 33.9 | 0 | 0 | 0 | 111.7 | G15 | P13-G15 PolarHBondContact O-N 3.47Š|
| 14 | R | 86.2 | Confident | 87.3 | Confident | 124 Ų | 124 | 96.4 Ų | 96.4 | 47% | 0.468 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 132.9 | 177 | -68.8 | -178.4 | 171 | 93.6 | -5.2 | 110.5 | C12 A142 S145 E149 | C12-R14 PolarHBondContact O-N 3.37Å; R14-A142 PolarHBondContact NH2-O 3.41Å; R14-S145 PolarHBondContact NH1-OG 3.06Å; R14-S145 VanDerWaalsContact NH1-OG 3.13Å; R14-S145 PolarHBondContact NH2-OG 3.27Å; R14-E149 IonicContact CZ-OE1 3.01Å; R14-E149 IonicContact CZ-OE2 3.46Å; R14-E149 IonicContact NH1-OE1 3.99Å; R14-E149 PolarHBondContact NH1-OE1 3.04Å; R14-E149 IonicContact NH1-OE2 2.83Å; R14-E149 PolarHBondContact NH1-OE2 3.41Å; R14-E149 IonicContact NH2-OE1 3.6Å |
| 15 | G | 87.8 | Confident | 88.4 | Confident | 63 Ų | 63 | 100 Ų | 100 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | trans | -105.5 | -173.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | P13 G17 | P13-G15 PolarHBondContact O-N 3.47Å; G15-G17 PolarHBondContact O-N 2.99Å | ||
| 16 | H | 89.4 | Confident | 88.8 | Confident | 132 Ų | 132 | 98.7 Ų | 98.7 | 61% | 0.611 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 28.5 | -177.2 | -56.5 | 94.8 | 0 | 0 | 0 | 114.4 | Q19 K20 | H16-Q19 PolarHBondContact CD2-OE1 2.79Å; H16-K20 PolarHBondContact O-N 3.16Å |
| 17 | G | 90.6 | Very high | 89.5 | Confident | 51 Ų | 51 | 95.6 Ų | 95.6 | 53% | 0.526 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -45.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G15 Q19 K20 A21 | G15-G17 PolarHBondContact O-N 2.99Å; G17-Q19 PolarHBondContact O-N 3.49Å; G17-K20 PolarHBondContact O-N 3.48Å; G17-A21 PolarHBondContact O-N 2.82Å; G17-A21 VanDerWaalsContact O-N 3.07Å |
| 18 | A | 90.6 | Very high | 89.8 | Confident | 83 Ų | 83 | 93.2 Ų | 93.2 | 69% | 0.686 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.4 | -41.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K20 A21 A22 | A18-K20 PolarHBondContact O-N 3.37Å; A18-A21 PolarHBondContact O-N 3.01Å; A18-A22 WeakPolarHBondContact O-CB 3.16Å; A18-A22 PolarHBondContact O-N 3.38Å |
| 19 | Q | 92.1 | Very high | 90.1 | Very high | 136 Ų | 136 | 91.5 Ų | 91.5 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.3 | -41.9 | 178.5 | -69.6 | 176.6 | -12.1 | 0 | 0 | 112 | H16 G17 A22 L23 | H16-Q19 PolarHBondContact CD2-OE1 2.79Å; G17-Q19 PolarHBondContact O-N 3.49Å; Q19-A22 PolarHBondContact O-N 3.05Å; Q19-L23 PolarHBondContact O-N 2.67Å |
| 20 | K | 94 | Very high | 90.2 | Very high | 151 Ų | 151 | 91.7 Ų | 91.7 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -44.3 | 176.8 | -67.7 | -179.5 | -179 | -174.2 | 0 | 111.6 | H16 G17 A18 L23 V24 | H16-K20 PolarHBondContact O-N 3.16Å; G17-K20 PolarHBondContact O-N 3.48Å; A18-K20 PolarHBondContact O-N 3.37Å; K20-L23 PolarHBondContact O-N 2.88Å; K20-V24 WeakPolarHBondContact O-CG2 3.38Å; K20-V24 PolarHBondContact O-N 3.33Å; K20-V24 VanDerWaalsContact O-N 3.11Å |
| 21 | A | 95.1 | Very high | 90.5 | Very high | 63 Ų | 63 | 90.4 Ų | 90.4 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.3 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | G17 A18 L23 V24 L25 | G17-A21 PolarHBondContact O-N 2.82Å; G17-A21 VanDerWaalsContact O-N 3.07Å; A18-A21 PolarHBondContact O-N 3.01Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.94Å; A21-V24 PolarHBondContact O-N 2.87Å; A21-L25 PolarHBondContact O-N 3.29Å |
| 22 | A | 94.1 | Very high | 90.7 | Very high | 58 Ų | 58 | 89.2 Ų | 89.2 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A18 Q19 L25 L26 | A18-A22 WeakPolarHBondContact O-CB 3.16Å; A18-A22 PolarHBondContact O-N 3.38Å; Q19-A22 PolarHBondContact O-N 3.05Å; A22-L25 PolarHBondContact O-N 2.87Å; A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 PolarHBondContact O-N 2.77Å |
| 23 | L | 94.6 | Very high | 90.7 | Very high | 112 Ų | 112 | 90.2 Ų | 90.2 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.5 | -45.4 | 175.8 | -177.9 | 65.7 | 0 | 0 | 0 | 111.8 | Q19 K20 A21 L25 L26 T27 | Q19-L23 PolarHBondContact O-N 2.67Å; K20-L23 PolarHBondContact O-N 2.88Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.94Å; L23-L25 PolarHBondContact O-N 2.67Å; L23-L26 PolarHBondContact O-N 2.8Å; L23-T27 WeakPolarHBondContact O-CG2 3.37Å; L23-T27 PolarHBondContact O-N 3.22Å; L23-T27 PolarHBondContact O-OG1 3.3Å |
| 24 | V | 96.1 | Very high | 90.5 | Very high | 99 Ų | 99 | 95 Ų | 95 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.4 | -47.4 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | K20 A21 L26 T27 A28 | K20-V24 WeakPolarHBondContact O-CG2 3.38Å; K20-V24 PolarHBondContact O-N 3.33Å; K20-V24 VanDerWaalsContact O-N 3.11Å; A21-V24 PolarHBondContact O-N 2.87Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.22Å; V24-T27 PolarHBondContact O-N 3.49Å; V24-T27 PolarHBondContact O-OG1 3.07Å; V24-A28 PolarHBondContact O-N 2.92Å |
| 25 | L | 95.5 | Very high | 90.5 | Very high | 112 Ų | 112 | 92.4 Ų | 92.4 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.9 | -44.6 | 178.1 | -175.9 | 64.5 | 0 | 0 | 0 | 111.6 | A21 A22 L23 T27 A28 C29 | A21-L25 PolarHBondContact O-N 3.29Å; A22-L25 PolarHBondContact O-N 2.87Å; L23-L25 PolarHBondContact O-N 2.67Å; L25-T27 PolarHBondContact O-N 3.49Å; L25-A28 PolarHBondContact O-N 3.23Å; L25-C29 PolarHBondContact O-N 2.77Å; L25-C29 PolarHBondContact O-SG 2.89Å; L25-C29 VanDerWaalsContact O-SG 3.33Å |
| 26 | L | 91.2 | Very high | 90.4 | Very high | 100 Ų | 100 | 95.4 Ų | 95.4 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.6 | -45.2 | 177.3 | -179.8 | 136.3 | 0 | 0 | 0 | 111.7 | A22 L23 V24 A28 C29 L30 | A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 PolarHBondContact O-N 2.77Å; L23-L26 PolarHBondContact O-N 2.8Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.22Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 2.9Å; L26-C29 PolarHBondContact O-N 3.12Å; L26-L30 HydrophobicContact CD2-CD1 3.72Å; L26-L30 HydrophobicContact CG-CD1 4.25Å; L26-L30 WeakPolarHBondContact O-CG 3.28Å; L26-L30 PolarHBondContact O-N 3.26Å |
| 27 | T | 91.8 | Very high | 90 | Very high | 79 Ų | 79 | 92.4 Ų | 92.4 | 49% | 0.485 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -38 | 177.2 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | L23 V24 L25 G31 | L23-T27 WeakPolarHBondContact O-CG2 3.37Å; L23-T27 PolarHBondContact O-N 3.22Å; L23-T27 PolarHBondContact O-OG1 3.3Å; V24-T27 PolarHBondContact O-N 3.49Å; V24-T27 PolarHBondContact O-OG1 3.07Å; L25-T27 PolarHBondContact O-N 3.49Å; T27-G31 PolarHBondContact O-N 3.07Å |
| 28 | A | 93.8 | Very high | 89.3 | Confident | 53 Ų | 53 | 95 Ų | 95 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V24 L25 L26 L30 G31 T32 | V24-A28 PolarHBondContact O-N 2.92Å; L25-A28 PolarHBondContact O-N 3.23Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 2.9Å; A28-L30 PolarHBondContact O-N 2.94Å; A28-G31 PolarHBondContact O-N 3.43Å; A28-T32 PolarHBondContact O-N 2.92Å; A28-T32 PolarHBondContact O-OG1 3Å |
| 29 | C | 89.4 | Confident | 88.9 | Confident | 61 Ų | 61 | 94 Ų | 94 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -41.8 | 178.1 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | L25 L26 T32 L33 | L25-C29 PolarHBondContact O-N 2.77Å; L25-C29 PolarHBondContact O-SG 2.89Å; L25-C29 VanDerWaalsContact O-SG 3.33Å; L26-C29 PolarHBondContact O-N 3.12Å; C29-T32 WeakPolarHBondContact CA-OG1 3.49Å; C29-T32 PolarHBondContact O-N 2.85Å; C29-T32 PolarHBondContact O-OG1 2.96Å; C29-L33 WeakPolarHBondContact O-CG 3.28Å; C29-L33 PolarHBondContact O-N 2.81Å |
| 30 | L | 85.5 | Confident | 88.3 | Confident | 102 Ų | 102 | 92.1 Ų | 92.1 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.9 | -42.5 | 174.5 | -72.7 | 172.2 | 0 | 0 | 0 | 111.8 | L26 A28 T32 L33 W34 | L26-L30 HydrophobicContact CD2-CD1 3.72Å; L26-L30 HydrophobicContact CG-CD1 4.25Å; L26-L30 WeakPolarHBondContact O-CG 3.28Å; L26-L30 PolarHBondContact O-N 3.26Å; A28-L30 PolarHBondContact O-N 2.94Å; L30-T32 VanDerWaalsContact C-N 3.34Å; L30-T32 PolarHBondContact O-N 3.42Å; L30-L33 PolarHBondContact O-N 2.98Å; L30-W34 WeakPolarHBondContact O-CB 3.33Å; L30-W34 PolarHBondContact O-N 3.42Å |
| 31 | G | 87.2 | Confident | 87.5 | Confident | 47 Ų | 47 | 92 Ų | 92 | 49% | 0.485 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T27 A28 W34 G35 | T27-G31 PolarHBondContact O-N 3.07Å; A28-G31 PolarHBondContact O-N 3.43Å; G31-W34 PolarHBondContact O-N 3.28Å; G31-G35 PolarHBondContact O-N 3.49Å |
| 32 | T | 89.5 | Confident | 86.6 | Confident | 85 Ų | 85 | 93.9 Ų | 93.9 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -43.3 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | A28 C29 L30 W34 G35 L36 | A28-T32 PolarHBondContact O-N 2.92Å; A28-T32 PolarHBondContact O-OG1 3Å; C29-T32 WeakPolarHBondContact CA-OG1 3.49Å; C29-T32 PolarHBondContact O-N 2.85Å; C29-T32 PolarHBondContact O-OG1 2.96Å; L30-T32 VanDerWaalsContact C-N 3.34Å; L30-T32 PolarHBondContact O-N 3.42Å; T32-W34 VanDerWaalsContact C-N 3.29Å; T32-W34 PolarHBondContact O-N 3.44Å; T32-G35 PolarHBondContact O-N 3.2Å; T32-L36 WeakPolarHBondContact O-CD1 3.38Å; T32-L36 PolarHBondContact O-N 3.39Å |
| 33 | L | 84.7 | Confident | 85.9 | Confident | 63 Ų | 63 | 93.6 Ų | 93.6 | 33% | 0.33 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 177.8 | -73.7 | 170.3 | 0 | 0 | 0 | 111.5 | C29 L30 L36 I43 | C29-L33 WeakPolarHBondContact O-CG 3.28Å; C29-L33 PolarHBondContact O-N 2.81Å; L30-L33 PolarHBondContact O-N 2.98Å; L33-L36 PolarHBondContact O-N 3.05Å; L33-I43 HydrophobicContact CB-CD1 4.18Å; L33-I43 HydrophobicContact CD1-CG2 4.45Å |
| 34 | W | 81.4 | Confident | 85.2 | Confident | 222 Ų | 222 | 92.2 Ų | 92.2 | 84% | 0.841 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 173.3 | -171.5 | -84.6 | 0 | 0 | 0 | 112.2 | L30 G31 T32 L36 G37 | L30-W34 WeakPolarHBondContact O-CB 3.33Å; L30-W34 PolarHBondContact O-N 3.42Å; G31-W34 PolarHBondContact O-N 3.28Å; T32-W34 VanDerWaalsContact C-N 3.29Å; T32-W34 PolarHBondContact O-N 3.44Å; W34-L36 VanDerWaalsContact C-N 3.3Å; W34-L36 PolarHBondContact O-N 2.78Å; W34-G37 PolarHBondContact O-N 2.8Å |
| 35 | G | 85.5 | Confident | 84.3 | Confident | 68 Ų | 68 | 88.9 Ų | 88.9 | 70% | 0.701 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.5 | -25.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G31 T32 G37 | G31-G35 PolarHBondContact O-N 3.49Å; T32-G35 PolarHBondContact O-N 3.2Å; G35-G37 VanDerWaalsContact C-N 3.25Å; G35-G37 PolarHBondContact O-N 2.96Å |
| 36 | L | 86.7 | Confident | 83.4 | Confident | 127 Ų | 127 | 86.6 Ų | 86.6 | 67% | 0.665 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.3 | 176.9 | -80.6 | 151.8 | 0 | 0 | 0 | 113.5 | T32 L33 W34 E38 | T32-L36 WeakPolarHBondContact O-CD1 3.38Å; T32-L36 PolarHBondContact O-N 3.39Å; L33-L36 PolarHBondContact O-N 3.05Å; W34-L36 VanDerWaalsContact C-N 3.3Å; W34-L36 PolarHBondContact O-N 2.78Å; L36-E38 VanDerWaalsContact C-N 3.25Å; L36-E38 HydrophobicContact CB-CG 4.3Å; L36-E38 PolarHBondContact O-N 3.05Å |
| 37 | G | 80.9 | Confident | 82.9 | Confident | 69 Ų | 69 | 86.2 Ų | 86.2 | 71% | 0.711 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 17.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | W34 G35 | W34-G37 PolarHBondContact O-N 2.8Å; G35-G37 VanDerWaalsContact C-N 3.25Å; G35-G37 PolarHBondContact O-N 2.96Å |
| 38 | E | 76.4 | Confident | 82.4 | Confident | 105 Ų | 105 | 83.2 Ų | 83.2 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | trans | -65.2 | 143.3 | 177.9 | -75.3 | -66.5 | 170.7 | 0 | 0 | 111.8 | L36 I43 | L36-E38 VanDerWaalsContact C-N 3.25Å; L36-E38 HydrophobicContact CB-CG 4.3Å; L36-E38 PolarHBondContact O-N 3.05Å; E38-I43 HydrophobicContact CB-CD1 3.7Å; E38-I43 HydrophobicContact CB-CG1 4.16Å | ||
| 39 | S | 81.8 | Confident | 81.7 | Confident | 62 Ų | 62 | 83.5 Ų | 83.5 | 43% | 0.434 | 48% | 0.476 | S | S | . | . | trans | -67.4 | 128.9 | -178.6 | 70.3 | 0 | 0 | 0 | 0 | 111 | E41 H42 I43 | S39-E41 PolarHBondContact O-N 3.11Å; S39-H42 PolarHBondContact O-N 3.15Å; S39-H42 VanDerWaalsContact O-N 3.13Å; S39-H42 WeakPolarHBondContact OG-CB 3.4Å; S39-I43 PolarHBondContact O-N 3.33Å | ||
| 40 | P | 78.6 | Confident | 81.3 | Confident | 96 Ų | 96 | 86.1 Ų | 86.1 | 62% | 0.623 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.8 | -30.6 | -176.3 | 23.6 | -33.3 | 0 | 0 | 0 | 112.3 | L44 | P40-L44 VanDerWaalsContact O-CB 3.28Å; P40-L44 WeakPolarHBondContact O-CB 3.44Å; P40-L44 PolarHBondContact O-N 3Å |
| 41 | E | 78.2 | Confident | 81.2 | Confident | 149 Ų | 149 | 84.7 Ų | 84.7 | 70% | 0.696 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 176.8 | -62.3 | -175.2 | 177.6 | 0 | 0 | 112.3 | S39 R45 | S39-E41 PolarHBondContact O-N 3.11Å; E41-R45 VanDerWaalsContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CB 3.2Å; E41-R45 PolarHBondContact O-N 2.84Å |
| 42 | H | 76.3 | Confident | 81 | Confident | 102 Ų | 102 | 83.5 Ų | 83.5 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 177.9 | -168.9 | 73.9 | 0 | 0 | 0 | 111.6 | S39 R45 C46 | S39-H42 PolarHBondContact O-N 3.15Å; S39-H42 VanDerWaalsContact O-N 3.13Å; S39-H42 WeakPolarHBondContact OG-CB 3.4Å; H42-R45 PolarHBondContact O-N 3.26Å; H42-C46 PolarHBondContact O-N 2.91Å; H42-C46 PolarHBondContact O-SG 3.09Å |
| 43 | I | 78.9 | Confident | 80.6 | Confident | 52 Ų | 52 | 81.7 Ų | 81.7 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 175.1 | -64.9 | 166.6 | 0 | 0 | 0 | 110.4 | L33 E38 S39 R45 C46 L47 | L33-I43 HydrophobicContact CB-CD1 4.18Å; L33-I43 HydrophobicContact CD1-CG2 4.45Å; E38-I43 HydrophobicContact CB-CD1 3.7Å; E38-I43 HydrophobicContact CB-CG1 4.16Å; S39-I43 PolarHBondContact O-N 3.33Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 3.27Å; I43-C46 PolarHBondContact O-N 2.86Å; I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 PolarHBondContact O-N 3.34Å |
| 44 | L | 79.1 | Confident | 80.7 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 44% | 0.435 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | -179.4 | -177.1 | 65 | 0 | 0 | 0 | 111 | P40 L47 V48 | P40-L44 VanDerWaalsContact O-CB 3.28Å; P40-L44 WeakPolarHBondContact O-CB 3.44Å; P40-L44 PolarHBondContact O-N 3Å; L44-L47 PolarHBondContact O-N 2.8Å; L44-V48 VanDerWaalsContact O-CG2 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.21Å |
| 45 | R | 77.4 | Confident | 80.8 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 11% | 0.109 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.9 | -55.2 | 176.7 | -180 | -178.4 | 171.6 | 152.1 | 13.7 | 111.5 | E41 H42 I43 L47 V48 F49 L109 P110 N111 A112 | E41-R45 VanDerWaalsContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CB 3.2Å; E41-R45 PolarHBondContact O-N 2.84Å; H42-R45 PolarHBondContact O-N 3.26Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 3.27Å; R45-L47 VanDerWaalsContact C-N 3.25Å; R45-L47 PolarHBondContact O-N 3.07Å; R45-V48 PolarHBondContact O-N 3.33Å; R45-F49 HydrophobicContact CG-CD2 3.73Å; R45-F49 HydrophobicContact CG-CE2 3.57Å; R45-F49 WeakPolarHBondContact O-CD2 3.41Å; R45-F49 PolarHBondContact O-N 2.91Å; R45-L109 HydrophobicContact CB-CD1 4.22Å; R45-L109 HydrophobicContact CG-CD1 4.47Å; R45-P110 PolarHBondContact NH1-O 3.46Å; R45-N111 PolarHBondContact NH2-OD1 2.84Å; R45-A112 VanDerWaalsContact NH1-N 3.11Å |
| 46 | C | 77.4 | Confident | 80.7 | Confident | 65 Ų | 65 | 71.9 Ų | 71.9 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.9 | -40.2 | 179.9 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | H42 I43 F49 H50 | H42-C46 PolarHBondContact O-N 2.91Å; H42-C46 PolarHBondContact O-SG 3.09Å; I43-C46 PolarHBondContact O-N 2.86Å; C46-F49 PolarHBondContact O-N 3.37Å; C46-H50 WeakPolarHBondContact O-CB 3.34Å; C46-H50 PolarHBondContact O-N 3.17Å |
| 47 | L | 80.9 | Confident | 80.7 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -47 | 176.1 | -173.5 | 69.3 | 0 | 0 | 0 | 111.9 | I43 L44 R45 F49 H50 L51 | I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 PolarHBondContact O-N 3.34Å; L44-L47 PolarHBondContact O-N 2.8Å; R45-L47 VanDerWaalsContact C-N 3.25Å; R45-L47 PolarHBondContact O-N 3.07Å; L47-F49 PolarHBondContact O-N 2.85Å; L47-H50 PolarHBondContact O-N 3Å; L47-L51 HydrophobicContact CD1-CD1 4.33Å; L47-L51 HydrophobicContact CD1-CG 4.42Å; L47-L51 HydrophobicContact CG-CD1 3.95Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.26Å; L47-L51 VanDerWaalsContact O-CG 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 2.89Å |
| 48 | V | 81.6 | Confident | 80.9 | Confident | 17 Ų | 17 | 66.7 Ų | 66.7 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 177.2 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | L44 R45 H50 L51 A52 F105 | L44-V48 VanDerWaalsContact O-CG2 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.21Å; R45-V48 PolarHBondContact O-N 3.33Å; V48-H50 PolarHBondContact O-N 3.29Å; V48-L51 PolarHBondContact O-N 3.05Å; V48-A52 VanDerWaalsContact O-CB 3.27Å; V48-A52 WeakPolarHBondContact O-CB 3.36Å; V48-A52 PolarHBondContact O-N 2.97Å; V48-F105 HydrophobicContact CG1-CB 3.65Å; V48-F105 HydrophobicContact CG2-CB 4.12Å; V48-F105 HydrophobicContact CG2-CD2 4.46Å; V48-F105 HydrophobicContact CG2-CG 4.29Å |
| 49 | F | 77.5 | Confident | 81.4 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 25% | 0.254 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.4 | -85.6 | -73.3 | 0 | 0 | 0 | 112.6 | R45 C46 L47 A52 S53 Y106 M120 | R45-F49 HydrophobicContact CG-CD2 3.73Å; R45-F49 HydrophobicContact CG-CE2 3.57Å; R45-F49 WeakPolarHBondContact O-CD2 3.41Å; R45-F49 PolarHBondContact O-N 2.91Å; C46-F49 PolarHBondContact O-N 3.37Å; L47-F49 PolarHBondContact O-N 2.85Å; F49-A52 PolarHBondContact O-N 3.29Å; F49-S53 WeakPolarHBondContact O-CB 3.26Å; F49-S53 PolarHBondContact O-N 3.18Å; F49-S53 PolarHBondContact O-OG 3.34Å; F49-S53 VanDerWaalsContact O-OG 3.09Å; F49-Y106 HydrophobicContact CD1-CD2 4.31Å; F49-Y106 AromaticContact CE1-CD2 3.23Å; F49-Y106 HydrophobicContact CE1-CD2 3.23Å; F49-Y106 AromaticContact CE1-CE2 3.29Å; F49-Y106 HydrophobicContact CE1-CE2 3.29Å; F49-Y106 HydrophobicContact CE2-CD2 4.3Å; F49-Y106 AromaticContact CZ-CD2 3.22Å; F49-Y106 HydrophobicContact CZ-CD2 3.22Å; F49-Y106 AromaticContact CZ-CE2 3.32Å; F49-Y106 HydrophobicContact CZ-CE2 3.32Å; F49-M120 HydrophobicContact CE1-CE 4.47Å |
| 50 | H | 82.6 | Confident | 81.7 | Confident | 117 Ų | 117 | 64.2 Ų | 64.2 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 178.8 | -175.6 | 66.1 | 0 | 0 | 0 | 111.3 | C46 L47 V48 A52 S53 L54 | C46-H50 WeakPolarHBondContact O-CB 3.34Å; C46-H50 PolarHBondContact O-N 3.17Å; L47-H50 PolarHBondContact O-N 3Å; V48-H50 PolarHBondContact O-N 3.29Å; H50-A52 PolarHBondContact O-N 3.46Å; H50-S53 PolarHBondContact O-N 3.31Å; H50-S53 PolarHBondContact O-OG 3.48Å; H50-L54 WeakPolarHBondContact O-CB 3.46Å; H50-L54 PolarHBondContact O-N 3.25Å |
| 51 | L | 83.4 | Confident | 82.1 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 37% | 0.372 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 176.5 | -69.1 | 174.5 | 0 | 0 | 0 | 111.9 | L47 V48 S53 L54 Q55 | L47-L51 HydrophobicContact CD1-CD1 4.33Å; L47-L51 HydrophobicContact CD1-CG 4.42Å; L47-L51 HydrophobicContact CG-CD1 3.95Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.26Å; L47-L51 VanDerWaalsContact O-CG 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 2.89Å; V48-L51 PolarHBondContact O-N 3.05Å; L51-S53 PolarHBondContact O-N 3.05Å; L51-L54 PolarHBondContact O-N 3.29Å; L51-Q55 WeakPolarHBondContact O-CG 3.5Å; L51-Q55 PolarHBondContact O-N 3.29Å |
| 52 | A | 81.5 | Confident | 82.6 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V48 F49 H50 Q55 L56 | V48-A52 VanDerWaalsContact O-CB 3.27Å; V48-A52 WeakPolarHBondContact O-CB 3.36Å; V48-A52 PolarHBondContact O-N 2.97Å; F49-A52 PolarHBondContact O-N 3.29Å; H50-A52 PolarHBondContact O-N 3.46Å; A52-Q55 PolarHBondContact O-N 3.21Å; A52-L56 WeakPolarHBondContact O-CB 3.42Å; A52-L56 PolarHBondContact O-N 2.98Å |
| 53 | S | 82.6 | Confident | 83.3 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 178.9 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | F49 H50 L51 G57 | F49-S53 WeakPolarHBondContact O-CB 3.26Å; F49-S53 PolarHBondContact O-N 3.18Å; F49-S53 PolarHBondContact O-OG 3.34Å; F49-S53 VanDerWaalsContact O-OG 3.09Å; H50-S53 PolarHBondContact O-N 3.31Å; H50-S53 PolarHBondContact O-OG 3.48Å; L51-S53 PolarHBondContact O-N 3.05Å; S53-G57 PolarHBondContact O-N 3.04Å |
| 54 | L | 85.3 | Confident | 83.8 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 173.3 | -176 | 66.5 | 0 | 0 | 0 | 111.8 | H50 L51 G57 Q58 | H50-L54 WeakPolarHBondContact O-CB 3.46Å; H50-L54 PolarHBondContact O-N 3.25Å; L51-L54 PolarHBondContact O-N 3.29Å; L54-G57 PolarHBondContact O-N 2.99Å; L54-Q58 WeakPolarHBondContact O-CG 3.36Å; L54-Q58 PolarHBondContact O-N 2.73Å |
| 55 | Q | 85 | Confident | 84.3 | Confident | 27 Ų | 27 | 53 Ų | 53 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 178.3 | -70.4 | -52.9 | -59.5 | 0 | 0 | 112.4 | L51 A52 G57 Q58 L59 L98 | L51-Q55 WeakPolarHBondContact O-CG 3.5Å; L51-Q55 PolarHBondContact O-N 3.29Å; A52-Q55 PolarHBondContact O-N 3.21Å; Q55-G57 VanDerWaalsContact C-N 3.27Å; Q55-G57 PolarHBondContact O-N 2.9Å; Q55-Q58 VanDerWaalsContact NE2-OE1 3.14Å; Q55-Q58 PolarHBondContact O-N 3.45Å; Q55-L59 PolarHBondContact O-N 3.36Å; Q55-L98 HydrophobicContact CG-CB 4.3Å; Q55-L98 HydrophobicContact CG-CD2 3.39Å; Q55-L98 HydrophobicContact CG-CG 4.38Å |
| 56 | L | 83.3 | Confident | 85 | Confident | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 177 | -176.1 | 59.1 | 0 | 0 | 0 | 111 | A52 L59 L60 L99 L121 L124 | A52-L56 WeakPolarHBondContact O-CB 3.42Å; A52-L56 PolarHBondContact O-N 2.98Å; L56-L59 PolarHBondContact O-N 3.38Å; L56-L60 WeakPolarHBondContact O-CB 3.48Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 2.92Å; L56-L99 HydrophobicContact CB-CD1 4.35Å; L56-L99 HydrophobicContact CD1-CD1 4.26Å; L56-L121 HydrophobicContact CD2-CD2 3.42Å; L56-L121 VanDerWaalsContact CD2-CD2 3.42Å; L56-L124 HydrophobicContact CB-CD2 3.79Å; L56-L124 HydrophobicContact CD2-CD2 3.54Å; L56-L124 HydrophobicContact CG-CD2 3.65Å |
| 57 | G | 86.2 | Confident | 85.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S53 L54 Q55 N61 | S53-G57 PolarHBondContact O-N 3.04Å; L54-G57 PolarHBondContact O-N 2.99Å; Q55-G57 VanDerWaalsContact C-N 3.27Å; Q55-G57 PolarHBondContact O-N 2.9Å; G57-N61 WeakPolarHBondContact O-CB 3.5Å; G57-N61 PolarHBondContact O-N 2.93Å |
| 58 | Q | 85.7 | Confident | 86.2 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 173.3 | -73.9 | 175.9 | -18.3 | 0 | 0 | 111.7 | L54 Q55 N61 G62 | L54-Q58 WeakPolarHBondContact O-CG 3.36Å; L54-Q58 PolarHBondContact O-N 2.73Å; Q55-Q58 VanDerWaalsContact NE2-OE1 3.14Å; Q55-Q58 PolarHBondContact O-N 3.45Å; Q58-N61 WeakPolarHBondContact O-CB 3.47Å; Q58-N61 PolarHBondContact O-N 3.35Å; Q58-G62 PolarHBondContact O-N 3.13Å |
| 59 | L | 87.1 | Confident | 86.8 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 29% | 0.293 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.1 | -170 | 143.6 | 0 | 0 | 0 | 111.7 | Q55 L56 N61 G62 V63 | Q55-L59 PolarHBondContact O-N 3.36Å; L56-L59 PolarHBondContact O-N 3.38Å; L59-N61 VanDerWaalsContact C-N 3.29Å; L59-N61 PolarHBondContact O-N 3.43Å; L59-G62 PolarHBondContact O-N 2.88Å; L59-G62 VanDerWaalsContact O-N 3.17Å; L59-V63 HydrophobicContact CD2-CG2 4.19Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.06Å |
| 60 | L | 86.8 | Confident | 87.5 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 173.5 | -76.7 | 167.3 | 0 | 0 | 0 | 111.4 | L56 G62 V63 C64 Q128 | L56-L60 WeakPolarHBondContact O-CB 3.48Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 2.92Å; L60-G62 PolarHBondContact O-N 3.24Å; L60-V63 PolarHBondContact O-N 3.18Å; L60-C64 PolarHBondContact O-N 3.05Å; L60-C64 PolarHBondContact O-SG 3.16Å; L60-C64 VanDerWaalsContact O-SG 3.32Å; L60-Q128 HydrophobicContact CD1-CG 4.29Å |
| 61 | N | 87.7 | Confident | 87.9 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.5 | -162 | 63.8 | 0 | 0 | 0 | 111.9 | G57 Q58 L59 V63 C64 S65 K137 | G57-N61 WeakPolarHBondContact O-CB 3.5Å; G57-N61 PolarHBondContact O-N 2.93Å; Q58-N61 WeakPolarHBondContact O-CB 3.47Å; Q58-N61 PolarHBondContact O-N 3.35Å; L59-N61 VanDerWaalsContact C-N 3.29Å; L59-N61 PolarHBondContact O-N 3.43Å; N61-V63 VanDerWaalsContact C-N 3.29Å; N61-V63 PolarHBondContact O-N 3.17Å; N61-C64 PolarHBondContact O-N 3.35Å; N61-S65 PolarHBondContact O-N 2.98Å; N61-S65 PolarHBondContact O-OG 2.96Å; N61-K137 PolarHBondContact OD1-NZ 3.04Å |
| 62 | G | 89 | Confident | 88.2 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q58 L59 L60 S65 L66 | Q58-G62 PolarHBondContact O-N 3.13Å; L59-G62 PolarHBondContact O-N 2.88Å; L59-G62 VanDerWaalsContact O-N 3.17Å; L60-G62 PolarHBondContact O-N 3.24Å; G62-S65 PolarHBondContact O-N 3.03Å; G62-L66 VanDerWaalsContact O-CB 3.24Å; G62-L66 WeakPolarHBondContact O-CB 3.47Å; G62-L66 PolarHBondContact O-N 3.17Å |
| 63 | V | 89.6 | Confident | 88.5 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 173.9 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | L59 L60 N61 L66 A67 | L59-V63 HydrophobicContact CD2-CG2 4.19Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.06Å; L60-V63 PolarHBondContact O-N 3.18Å; N61-V63 VanDerWaalsContact C-N 3.29Å; N61-V63 PolarHBondContact O-N 3.17Å; V63-L66 WeakPolarHBondContact O-CB 3.49Å; V63-L66 PolarHBondContact O-N 3.15Å; V63-A67 PolarHBondContact O-N 2.94Å |
| 64 | C | 89.6 | Confident | 88.6 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 46% | 0.459 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.6 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | L60 N61 L66 A67 I132 | L60-C64 PolarHBondContact O-N 3.05Å; L60-C64 PolarHBondContact O-SG 3.16Å; L60-C64 VanDerWaalsContact O-SG 3.32Å; N61-C64 PolarHBondContact O-N 3.35Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-L66 PolarHBondContact O-N 2.94Å; C64-A67 WeakPolarHBondContact O-CB 3.35Å; C64-A67 PolarHBondContact O-N 2.89Å; C64-I132 HydrophobicContact CB-CD1 3.87Å |
| 65 | S | 89.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 37% | 0.371 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 174.7 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | N61 G62 A67 E68 E69 | N61-S65 PolarHBondContact O-N 2.98Å; N61-S65 PolarHBondContact O-OG 2.96Å; G62-S65 PolarHBondContact O-N 3.03Å; S65-A67 VanDerWaalsContact C-N 3.29Å; S65-A67 PolarHBondContact O-N 2.75Å; S65-E68 PolarHBondContact O-N 3.34Å; S65-E69 PolarHBondContact O-N 3.41Å |
| 66 | L | 92.4 | Very high | 88.3 | Confident | 29 Ų | 29 | 68 Ų | 68 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 175.4 | -178.4 | 62.8 | 0 | 0 | 0 | 111 | G62 V63 C64 E68 E69 L70 T84 V85 C88 L89 | G62-L66 VanDerWaalsContact O-CB 3.24Å; G62-L66 WeakPolarHBondContact O-CB 3.47Å; G62-L66 PolarHBondContact O-N 3.17Å; V63-L66 WeakPolarHBondContact O-CB 3.49Å; V63-L66 PolarHBondContact O-N 3.15Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-L66 PolarHBondContact O-N 2.94Å; L66-E68 PolarHBondContact O-N 3.21Å; L66-E69 PolarHBondContact O-N 3.35Å; L66-E69 VanDerWaalsContact O-N 3.15Å; L66-L70 HydrophobicContact CD1-CD2 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CG-CD1 4.44Å; L66-L70 HydrophobicContact CG-CD2 4.47Å; L66-L70 HydrophobicContact CG-CG 4.16Å; L66-L70 WeakPolarHBondContact O-CG 3.48Å; L66-L70 PolarHBondContact O-N 3.15Å; L66-T84 HydrophobicContact CD1-CG2 3.67Å; L66-V85 HydrophobicContact CD1-CG2 4.26Å; L66-V85 HydrophobicContact CD2-CG2 4.07Å; L66-C88 HydrophobicContact CB-CB 4.17Å; L66-C88 HydrophobicContact CD1-CB 4.29Å; L66-L89 HydrophobicContact CD2-CD1 4.43Å |
| 67 | A | 92.1 | Very high | 88.4 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 51% | 0.512 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.1 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V63 C64 S65 | V63-A67 PolarHBondContact O-N 2.94Å; C64-A67 WeakPolarHBondContact O-CB 3.35Å; C64-A67 PolarHBondContact O-N 2.89Å; S65-A67 VanDerWaalsContact C-N 3.29Å; S65-A67 PolarHBondContact O-N 2.75Å |
| 68 | E | 92.3 | Very high | 88.2 | Confident | 109 Ų | 109 | 75.1 Ų | 75.1 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.7 | -47.9 | 173.9 | 169.2 | 153.3 | -131.4 | 0 | 0 | 112.3 | S65 L66 L70 R71 | S65-E68 PolarHBondContact O-N 3.34Å; L66-E68 PolarHBondContact O-N 3.21Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 2.85Å; E68-R71 WeakPolarHBondContact O-CB 3.37Å; E68-R71 PolarHBondContact O-N 2.9Å; E68-R71 VanDerWaalsContact O-N 3.12Å; E68-R71 PolarHBondContact O-NE 3.48Å; E68-R71 IonicContact OE1-NH2 3.07Å; E68-R71 PolarHBondContact OE1-NH2 3.47Å |
| 69 | E | 93.9 | Very high | 88.2 | Confident | 37 Ų | 37 | 75.5 Ų | 75.5 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68 | -21.7 | -176.5 | -73.2 | -75.2 | 171.7 | 0 | 0 | 113.4 | S65 L66 R71 H72 R76 Y77 T84 | S65-E69 PolarHBondContact O-N 3.41Å; L66-E69 PolarHBondContact O-N 3.35Å; L66-E69 VanDerWaalsContact O-N 3.15Å; E69-R71 PolarHBondContact O-N 3.43Å; E69-H72 PolarHBondContact O-N 3.49Å; E69-R76 IonicContact OE1-NH1 3.37Å; E69-R76 PolarHBondContact OE1-NH1 2.87Å; E69-R76 WeakPolarHBondContact OE2-CD 3.4Å; E69-R76 IonicContact OE2-NH1 3.79Å; E69-Y77 HydrophobicContact CB-CE2 4.29Å; E69-Y77 WeakPolarHBondContact OE2-CE2 3.26Å; E69-Y77 VanDerWaalsContact OE2-CZ 3.29Å; E69-Y77 PolarHBondContact OE2-OH 3.37Å; E69-T84 HydrophobicContact CB-CG2 4.11Å |
| 70 | L | 92.1 | Very high | 88.2 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 43% | 0.429 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -58.9 | -25.9 | 171.3 | -75.8 | 173 | 0 | 0 | 0 | 112.3 | L66 E68 H72 I73 | L66-L70 HydrophobicContact CD1-CD2 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CG-CD1 4.44Å; L66-L70 HydrophobicContact CG-CD2 4.47Å; L66-L70 HydrophobicContact CG-CG 4.16Å; L66-L70 WeakPolarHBondContact O-CG 3.48Å; L66-L70 PolarHBondContact O-N 3.15Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 2.85Å; L70-H72 PolarHBondContact O-N 3.18Å; L70-I73 HydrophobicContact CB-CD1 4.38Å; L70-I73 HydrophobicContact CD2-CD1 3.72Å; L70-I73 HydrophobicContact CD2-CG1 4.5Å; L70-I73 VanDerWaalsContact O-CD1 3.27Å; L70-I73 WeakPolarHBondContact O-CD1 3.42Å; L70-I73 VanDerWaalsContact O-CG1 3.31Å; L70-I73 WeakPolarHBondContact O-CG1 3.32Å |
| 71 | R | 90.4 | Very high | 88.3 | Confident | 173 Ų | 173 | 79.4 Ų | 79.4 | 65% | 0.653 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -73.4 | -15.9 | 175 | -61.1 | -177.7 | -69.1 | -178.8 | -1.1 | 113.1 | E68 E69 | E68-R71 WeakPolarHBondContact O-CB 3.37Å; E68-R71 PolarHBondContact O-N 2.9Å; E68-R71 VanDerWaalsContact O-N 3.12Å; E68-R71 PolarHBondContact O-NE 3.48Å; E68-R71 IonicContact OE1-NH2 3.07Å; E68-R71 PolarHBondContact OE1-NH2 3.47Å; E69-R71 PolarHBondContact O-N 3.43Å |
| 72 | H | 89.5 | Confident | 88.3 | Confident | 68 Ų | 68 | 83.6 Ų | 83.6 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -113.3 | 15.5 | -173.9 | -59.1 | -60.5 | 0 | 0 | 0 | 113.1 | E69 L70 H74 S75 R76 | E69-H72 PolarHBondContact O-N 3.49Å; L70-H72 PolarHBondContact O-N 3.18Å; H72-H74 VanDerWaalsContact C-N 3.33Å; H72-H74 PolarHBondContact O-N 2.91Å; H72-S75 PolarHBondContact O-N 2.65Å; H72-R76 HydrophobicContact CB-CB 4.2Å; H72-R76 VanDerWaalsContact O-CB 3.25Å; H72-R76 WeakPolarHBondContact O-CB 3.37Å; H72-R76 PolarHBondContact O-N 3.38Å |
| 73 | I | 89.1 | Confident | 88.2 | Confident | 17 Ų | 17 | 89.9 Ų | 89.9 | 9% | 0.087 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -53.9 | -49.2 | 179.3 | -69.1 | 169.1 | 0 | 0 | 0 | 111.8 | L70 Y77 R78 D79 Y81 T84 | L70-I73 HydrophobicContact CB-CD1 4.38Å; L70-I73 HydrophobicContact CD2-CD1 3.72Å; L70-I73 HydrophobicContact CD2-CG1 4.5Å; L70-I73 VanDerWaalsContact O-CD1 3.27Å; L70-I73 WeakPolarHBondContact O-CD1 3.42Å; L70-I73 VanDerWaalsContact O-CG1 3.31Å; L70-I73 WeakPolarHBondContact O-CG1 3.32Å; I73-Y77 CarbonylContact O-C 3.38Å; I73-Y77 WeakPolarHBondContact O-CA 3.49Å; I73-Y77 PolarHBondContact O-N 3.42Å; I73-R78 PolarHBondContact O-N 3.3Å; I73-R78 VanDerWaalsContact O-N 3.12Å; I73-D79 PolarHBondContact O-N 2.98Å; I73-Y81 HydrophobicContact CD1-CD1 3.75Å; I73-Y81 HydrophobicContact CD1-CE1 3.44Å; I73-Y81 VanDerWaalsContact CD1-CE1 3.44Å; I73-T84 HydrophobicContact CG1-CG2 4.38Å |
| 74 | H | 84.2 | Confident | 88.2 | Confident | 145 Ų | 145 | 86.4 Ų | 86.4 | 67% | 0.671 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.6 | -48.1 | -176.4 | -168.9 | 63 | 0 | 0 | 0 | 111.8 | H72 D79 | H72-H74 VanDerWaalsContact C-N 3.33Å; H72-H74 PolarHBondContact O-N 2.91Å; H74-D79 WeakPolarHBondContact CA-OD1 3.46Å; H74-D79 IonicContact CE1-OD1 2.81Å; H74-D79 IonicContact CE1-OD2 3.07Å; H74-D79 PolarHBondContact CE1-OD2 2.91Å; H74-D79 IonicContact CG-OD1 3.54Å; H74-D79 VanDerWaalsContact ND1-CG 3.29Å; H74-D79 IonicContact ND1-OD1 2.85Å; H74-D79 PolarHBondContact ND1-OD1 3.03Å; H74-D79 IonicContact ND1-OD2 3.96Å; H74-D79 PolarHBondContact ND1-OD2 3.42Å |
| 75 | S | 80.7 | Confident | 88.3 | Confident | 74 Ų | 74 | 85.1 Ų | 85.1 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -78.2 | -31.4 | -174 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | H72 K289 | H72-S75 PolarHBondContact O-N 2.65Å; S75-K289 PolarHBondContact O-NZ 2.92Å |
| 76 | R | 83.4 | Confident | 88.3 | Confident | 139 Ų | 139 | 89.6 Ų | 89.6 | 53% | 0.525 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -107.9 | -39.9 | -173.8 | -171.9 | 175.8 | -79 | -152.6 | -8.4 | 113.6 | E69 H72 | E69-R76 IonicContact OE1-NH1 3.37Å; E69-R76 PolarHBondContact OE1-NH1 2.87Å; E69-R76 WeakPolarHBondContact OE2-CD 3.4Å; E69-R76 IonicContact OE2-NH1 3.79Å; H72-R76 HydrophobicContact CB-CB 4.2Å; H72-R76 VanDerWaalsContact O-CB 3.25Å; H72-R76 WeakPolarHBondContact O-CB 3.37Å; H72-R76 PolarHBondContact O-N 3.38Å |
| 77 | Y | 85.5 | Confident | 88 | Confident | 33 Ų | 33 | 91.1 Ų | 91.1 | 13% | 0.129 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -109.9 | 6.2 | -170.2 | -57.3 | -75 | 0 | 0 | 0 | 115.4 | E69 I73 D79 S80 R83 T84 A87 | E69-Y77 HydrophobicContact CB-CE2 4.29Å; E69-Y77 WeakPolarHBondContact OE2-CE2 3.26Å; E69-Y77 VanDerWaalsContact OE2-CZ 3.29Å; E69-Y77 PolarHBondContact OE2-OH 3.37Å; I73-Y77 CarbonylContact O-C 3.38Å; I73-Y77 WeakPolarHBondContact O-CA 3.49Å; I73-Y77 PolarHBondContact O-N 3.42Å; Y77-D79 PolarHBondContact O-N 3.13Å; Y77-S80 PolarHBondContact O-N 2.98Å; Y77-R83 HydrophobicContact CD1-CB 4.45Å; Y77-T84 WeakPolarHBondContact CB-OG1 3.46Å; Y77-T84 HydrophobicContact CD2-CG2 3.83Å; Y77-T84 WeakPolarHBondContact CD2-OG1 3.37Å; Y77-T84 HydrophobicContact CE2-CG2 3.76Å; Y77-T84 HydrophobicContact CG-CG2 4.44Å; Y77-T84 VanDerWaalsContact CG-OG1 3.24Å; Y77-A87 HydrophobicContact CD1-CB 4.48Å; Y77-A87 HydrophobicContact CE1-CB 3.56Å |
| 78 | R | 81.9 | Confident | 87.8 | Confident | 161 Ų | 161 | 89.5 Ų | 89.5 | 61% | 0.608 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 50.1 | 178 | -51.3 | -178.3 | -174.9 | 178.7 | 1.7 | 112 | I73 S80 | I73-R78 PolarHBondContact O-N 3.3Å; I73-R78 VanDerWaalsContact O-N 3.12Å; R78-S80 PolarHBondContact O-N 2.84Å |
| 79 | D | 84.8 | Confident | 87.5 | Confident | 95 Ų | 95 | 86 Ų | 86 | 51% | 0.508 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 16 | 177.4 | -58.5 | -44.3 | 0 | 0 | 0 | 115.9 | I73 H74 Y77 | I73-D79 PolarHBondContact O-N 2.98Å; H74-D79 WeakPolarHBondContact CA-OD1 3.46Å; H74-D79 IonicContact CE1-OD1 2.81Å; H74-D79 IonicContact CE1-OD2 3.07Å; H74-D79 PolarHBondContact CE1-OD2 2.91Å; H74-D79 IonicContact CG-OD1 3.54Å; H74-D79 VanDerWaalsContact ND1-CG 3.29Å; H74-D79 IonicContact ND1-OD1 2.85Å; H74-D79 PolarHBondContact ND1-OD1 3.03Å; H74-D79 IonicContact ND1-OD2 3.96Å; H74-D79 PolarHBondContact ND1-OD2 3.42Å; Y77-D79 PolarHBondContact O-N 3.13Å |
| 80 | S | 87.9 | Confident | 87.1 | Confident | 34 Ų | 34 | 85.9 Ų | 85.9 | 24% | 0.238 | 40% | 0.399 | C | S | . | . | trans | -101.5 | 101.1 | -179.1 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | Y77 R78 W82 R83 T84 | Y77-S80 PolarHBondContact O-N 2.98Å; R78-S80 PolarHBondContact O-N 2.84Å; S80-W82 VanDerWaalsContact C-N 3.29Å; S80-W82 PolarHBondContact O-N 2.99Å; S80-R83 PolarHBondContact O-N 2.99Å; S80-R83 VanDerWaalsContact O-N 3.16Å; S80-R83 WeakPolarHBondContact OG-CG 3.46Å; S80-T84 PolarHBondContact O-N 3.16Å; S80-T84 PolarHBondContact O-OG1 3.16Å | ||
| 81 | Y | 88.4 | Confident | 86.3 | Confident | 163 Ų | 163 | 84.8 Ų | 84.8 | 64% | 0.639 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.2 | -40.5 | 175.3 | -69.7 | -86.3 | 0 | 0 | 0 | 113.2 | I73 R83 T84 V85 | I73-Y81 HydrophobicContact CD1-CD1 3.75Å; I73-Y81 HydrophobicContact CD1-CE1 3.44Å; I73-Y81 VanDerWaalsContact CD1-CE1 3.44Å; Y81-R83 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 2.88Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 3.12Å; Y81-V85 WeakPolarHBondContact O-CG2 3.46Å; Y81-V85 PolarHBondContact O-N 3.1Å |
| 82 | W | 87.9 | Confident | 85.6 | Confident | 135 Ų | 135 | 78 Ų | 78 | 51% | 0.511 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 179.6 | 179.6 | -118.5 | 0 | 0 | 0 | 112.4 | S80 T84 V85 R86 P92 F93 | S80-W82 VanDerWaalsContact C-N 3.29Å; S80-W82 PolarHBondContact O-N 2.99Å; W82-T84 VanDerWaalsContact C-N 3.35Å; W82-V85 PolarHBondContact O-N 2.79Å; W82-R86 VanDerWaalsContact O-CB 3.25Å; W82-R86 WeakPolarHBondContact O-CB 3.49Å; W82-R86 PolarHBondContact O-N 2.84Å; W82-P92 HydrophobicContact CH2-CG 3.77Å; W82-P92 HydrophobicContact CZ2-CG 4.48Å; W82-P92 HydrophobicContact CZ3-CG 4.41Å; W82-F93 HydrophobicContact CH2-CE2 4.3Å; W82-F93 HydrophobicContact CH2-CZ 4.33Å; W82-F93 HydrophobicContact CZ2-CE2 4.2Å; W82-F93 HydrophobicContact CZ2-CZ 4.48Å |
| 83 | R | 87.3 | Confident | 85 | Confident | 137 Ų | 137 | 82 Ų | 82 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 174.7 | -71.1 | -178.3 | -173.7 | 154.1 | -0.3 | 111.3 | Y77 S80 Y81 R86 A87 | Y77-R83 HydrophobicContact CD1-CB 4.45Å; S80-R83 PolarHBondContact O-N 2.99Å; S80-R83 VanDerWaalsContact O-N 3.16Å; S80-R83 WeakPolarHBondContact OG-CG 3.46Å; Y81-R83 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 2.88Å; R83-R86 PolarHBondContact O-N 3.34Å; R83-A87 WeakPolarHBondContact O-CB 3.32Å; R83-A87 PolarHBondContact O-N 3.35Å |
| 84 | T | 90.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.2 | -50.8 | 175.6 | -49.3 | 0 | 0 | 0 | 0 | 111.3 | L66 E69 I73 Y77 S80 Y81 W82 R86 A87 C88 | L66-T84 HydrophobicContact CD1-CG2 3.67Å; E69-T84 HydrophobicContact CB-CG2 4.11Å; I73-T84 HydrophobicContact CG1-CG2 4.38Å; Y77-T84 WeakPolarHBondContact CB-OG1 3.46Å; Y77-T84 HydrophobicContact CD2-CG2 3.83Å; Y77-T84 WeakPolarHBondContact CD2-OG1 3.37Å; Y77-T84 HydrophobicContact CE2-CG2 3.76Å; Y77-T84 HydrophobicContact CG-CG2 4.44Å; Y77-T84 VanDerWaalsContact CG-OG1 3.24Å; S80-T84 PolarHBondContact O-N 3.16Å; S80-T84 PolarHBondContact O-OG1 3.16Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 3.12Å; W82-T84 VanDerWaalsContact C-N 3.35Å; T84-R86 VanDerWaalsContact C-N 3.32Å; T84-R86 PolarHBondContact O-N 3.12Å; T84-A87 PolarHBondContact O-N 3.19Å; T84-A87 VanDerWaalsContact O-N 3.16Å; T84-C88 PolarHBondContact O-N 2.83Å; T84-C88 PolarHBondContact O-SG 2.9Å |
| 85 | V | 89.8 | Confident | 84.3 | Confident | 41 Ų | 41 | 82.8 Ų | 82.8 | 25% | 0.248 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L66 Y81 W82 A87 C88 L89 | L66-V85 HydrophobicContact CD1-CG2 4.26Å; L66-V85 HydrophobicContact CD2-CG2 4.07Å; Y81-V85 WeakPolarHBondContact O-CG2 3.46Å; Y81-V85 PolarHBondContact O-N 3.1Å; W82-V85 PolarHBondContact O-N 2.79Å; V85-A87 VanDerWaalsContact C-N 3.35Å; V85-A87 PolarHBondContact O-N 3.43Å; V85-C88 PolarHBondContact O-N 3.16Å; V85-L89 HydrophobicContact CG1-CD1 4.33Å; V85-L89 WeakPolarHBondContact O-CB 3.39Å; V85-L89 PolarHBondContact O-N 3.09Å |
| 86 | R | 89.7 | Confident | 84.3 | Confident | 148 Ų | 148 | 80.7 Ų | 80.7 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.4 | -35.6 | 177.6 | -171.3 | 179.4 | -180 | 174.7 | -0.2 | 112.5 | W82 R83 T84 G90 | W82-R86 VanDerWaalsContact O-CB 3.25Å; W82-R86 WeakPolarHBondContact O-CB 3.49Å; W82-R86 PolarHBondContact O-N 2.84Å; R83-R86 PolarHBondContact O-N 3.34Å; T84-R86 VanDerWaalsContact C-N 3.32Å; T84-R86 PolarHBondContact O-N 3.12Å; R86-G90 WeakPolarHBondContact CG-O 3.3Å; R86-G90 CarbonylContact O-C 3.44Å; R86-G90 WeakPolarHBondContact O-CA 3.44Å; R86-G90 PolarHBondContact O-N 2.93Å |
| 87 | A | 87.5 | Confident | 84.3 | Confident | 61 Ų | 61 | 78.1 Ų | 78.1 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y77 R83 T84 V85 | Y77-A87 HydrophobicContact CD1-CB 4.48Å; Y77-A87 HydrophobicContact CE1-CB 3.56Å; R83-A87 WeakPolarHBondContact O-CB 3.32Å; R83-A87 PolarHBondContact O-N 3.35Å; T84-A87 PolarHBondContact O-N 3.19Å; T84-A87 VanDerWaalsContact O-N 3.16Å; V85-A87 VanDerWaalsContact C-N 3.35Å; V85-A87 PolarHBondContact O-N 3.43Å |
| 88 | C | 87.8 | Confident | 84 | Confident | 28 Ų | 28 | 79.9 Ų | 79.9 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -78.1 | -38.2 | -178 | -60 | 0 | 0 | 0 | 0 | 113.8 | L66 T84 V85 | L66-C88 HydrophobicContact CB-CB 4.17Å; L66-C88 HydrophobicContact CD1-CB 4.29Å; T84-C88 PolarHBondContact O-N 2.83Å; T84-C88 PolarHBondContact O-SG 2.9Å; V85-C88 PolarHBondContact O-N 3.16Å |
| 89 | L | 85.3 | Confident | 84 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 18% | 0.183 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -102.2 | -1.2 | -176.2 | -74.8 | 75.1 | 0 | 0 | 0 | 113.1 | L66 V85 C91 H95 | L66-L89 HydrophobicContact CD2-CD1 4.43Å; V85-L89 HydrophobicContact CG1-CD1 4.33Å; V85-L89 WeakPolarHBondContact O-CB 3.39Å; V85-L89 PolarHBondContact O-N 3.09Å; L89-C91 PolarHBondContact O-N 3.4Å; L89-H95 PolarHBondContact O-CE1 3.44Å; L89-H95 VanDerWaalsContact O-CE1 3.27Å; L89-H95 PolarHBondContact O-ND1 2.89Å |
| 90 | G | 84.8 | Confident | 84 | Confident | 34 Ų | 34 | 77.2 Ų | 77.2 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 65 | -118.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R86 P92 | R86-G90 WeakPolarHBondContact CG-O 3.3Å; R86-G90 CarbonylContact O-C 3.44Å; R86-G90 WeakPolarHBondContact O-CA 3.44Å; R86-G90 PolarHBondContact O-N 2.93Å; G90-P92 WeakPolarHBondContact O-CD 3.31Å |
| 91 | C | 76.6 | Confident | 83.7 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 41% | 0.405 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -95.2 | 97.8 | 172.4 | -72.4 | 0 | 0 | 0 | 0 | 109.7 | L89 F93 H94 H95 | L89-C91 PolarHBondContact O-N 3.4Å; C91-F93 PolarHBondContact O-N 2.92Å; C91-H94 HydrophobicContact CB-CB 4.43Å; C91-H94 PolarHBondContact O-N 2.89Å; C91-H94 VanDerWaalsContact O-N 3.16Å; C91-H95 PolarHBondContact O-ND1 2.89Å; C91-H95 VanDerWaalsContact O-ND1 3.1Å |
| 92 | P | 74.6 | Confident | 83.2 | Confident | 31 Ų | 31 | 73 Ų | 73 | 20% | 0.201 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -28.7 | -175.8 | 25.4 | -34.9 | 0 | 0 | 0 | 112.1 | W82 G90 H94 H95 G96 | W82-P92 HydrophobicContact CH2-CG 3.77Å; W82-P92 HydrophobicContact CZ2-CG 4.48Å; W82-P92 HydrophobicContact CZ3-CG 4.41Å; G90-P92 WeakPolarHBondContact O-CD 3.31Å; P92-H94 PolarHBondContact O-N 3.3Å; P92-H95 PolarHBondContact O-N 3.09Å; P92-G96 PolarHBondContact O-N 3.43Å |
| 93 | F | 78.4 | Confident | 82.6 | Confident | 150 Ų | 150 | 68.5 Ų | 68.5 | 66% | 0.658 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 176.5 | -60.9 | -70.2 | 0 | 0 | 0 | 112.7 | W82 C91 G96 T97 | W82-F93 HydrophobicContact CH2-CE2 4.3Å; W82-F93 HydrophobicContact CH2-CZ 4.33Å; W82-F93 HydrophobicContact CZ2-CE2 4.2Å; W82-F93 HydrophobicContact CZ2-CZ 4.48Å; C91-F93 PolarHBondContact O-N 2.92Å; F93-G96 PolarHBondContact O-N 3.02Å; F93-T97 WeakPolarHBondContact O-CG2 3.44Å; F93-T97 PolarHBondContact O-N 3.12Å; F93-T97 PolarHBondContact O-OG1 2.81Å; F93-T97 VanDerWaalsContact O-OG1 3.12Å |
| 94 | H | 78.6 | Confident | 82.3 | Confident | 129 Ų | 129 | 69.1 Ų | 69.1 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.9 | -48.5 | 178.2 | -78.9 | -60.9 | 0 | 0 | 0 | 111.3 | C91 P92 G96 T97 L98 | C91-H94 HydrophobicContact CB-CB 4.43Å; C91-H94 PolarHBondContact O-N 2.89Å; C91-H94 VanDerWaalsContact O-N 3.16Å; P92-H94 PolarHBondContact O-N 3.3Å; H94-G96 VanDerWaalsContact C-N 3.33Å; H94-G96 PolarHBondContact O-N 3.5Å; H94-T97 PolarHBondContact O-N 3.49Å; H94-T97 PolarHBondContact O-OG1 2.82Å; H94-L98 PolarHBondContact O-N 3.28Å |
| 95 | H | 78.2 | Confident | 81.4 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.1 | -62.5 | 89.9 | 0 | 0 | 0 | 111.6 | L89 C91 P92 L98 L99 | L89-H95 PolarHBondContact O-CE1 3.44Å; L89-H95 VanDerWaalsContact O-CE1 3.27Å; L89-H95 PolarHBondContact O-ND1 2.89Å; C91-H95 PolarHBondContact O-ND1 2.89Å; C91-H95 VanDerWaalsContact O-ND1 3.1Å; P92-H95 PolarHBondContact O-N 3.09Å; H95-L98 PolarHBondContact O-N 2.79Å; H95-L99 WeakPolarHBondContact O-CB 3.5Å; H95-L99 PolarHBondContact O-N 3.27Å |
| 96 | G | 81.3 | Confident | 80.5 | Confident | 29 Ų | 29 | 73.9 Ų | 73.9 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P92 F93 H94 L98 L99 L100 | P92-G96 PolarHBondContact O-N 3.43Å; F93-G96 PolarHBondContact O-N 3.02Å; H94-G96 VanDerWaalsContact C-N 3.33Å; H94-G96 PolarHBondContact O-N 3.5Å; G96-L98 PolarHBondContact O-N 3.34Å; G96-L99 PolarHBondContact O-N 2.87Å; G96-L100 WeakPolarHBondContact O-CG 3.28Å; G96-L100 PolarHBondContact O-N 3.08Å |
| 97 | T | 83 | Confident | 79.7 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 52% | 0.521 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.7 | 54 | 0 | 0 | 0 | 0 | 112.5 | F93 H94 L100 L101 | F93-T97 WeakPolarHBondContact O-CG2 3.44Å; F93-T97 PolarHBondContact O-N 3.12Å; F93-T97 PolarHBondContact O-OG1 2.81Å; F93-T97 VanDerWaalsContact O-OG1 3.12Å; H94-T97 PolarHBondContact O-N 3.49Å; H94-T97 PolarHBondContact O-OG1 2.82Å; T97-L100 PolarHBondContact O-N 3.27Å; T97-L101 VanDerWaalsContact O-CB 3.31Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 PolarHBondContact O-N 2.88Å |
| 98 | L | 80.9 | Confident | 78.9 | Confident | 70 Ų | 70 | 76.6 Ų | 76.6 | 37% | 0.366 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.9 | -35.5 | 179.2 | -133.3 | 131.9 | 0 | 0 | 0 | 111.5 | Q55 H94 H95 G96 S102 | Q55-L98 HydrophobicContact CG-CB 4.3Å; Q55-L98 HydrophobicContact CG-CD2 3.39Å; Q55-L98 HydrophobicContact CG-CG 4.38Å; H94-L98 PolarHBondContact O-N 3.28Å; H95-L98 PolarHBondContact O-N 2.79Å; G96-L98 PolarHBondContact O-N 3.34Å; L98-S102 WeakPolarHBondContact O-CB 3.18Å; L98-S102 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-OG 2.83Å |
| 99 | L | 81.4 | Confident | 77.9 | Confident | 67 Ų | 67 | 77.1 Ų | 77.1 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 172.3 | -161.8 | 94.2 | 0 | 0 | 0 | 111.6 | L56 H95 G96 S102 G103 | L56-L99 HydrophobicContact CB-CD1 4.35Å; L56-L99 HydrophobicContact CD1-CD1 4.26Å; H95-L99 WeakPolarHBondContact O-CB 3.5Å; H95-L99 PolarHBondContact O-N 3.27Å; G96-L99 PolarHBondContact O-N 2.87Å; L99-S102 WeakPolarHBondContact CA-OG 3.34Å; L99-S102 PolarHBondContact O-N 3.35Å; L99-S102 PolarHBondContact O-OG 2.7Å; L99-G103 PolarHBondContact O-N 3.01Å |
| 100 | L | 84.9 | Confident | 76.7 | Confident | 133 Ų | 133 | 80.7 Ų | 80.7 | 70% | 0.696 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 176.1 | -72.9 | 170.8 | 0 | 0 | 0 | 111.9 | G96 T97 G103 Y104 | G96-L100 WeakPolarHBondContact O-CG 3.28Å; G96-L100 PolarHBondContact O-N 3.08Å; T97-L100 PolarHBondContact O-N 3.27Å; L100-G103 PolarHBondContact O-N 3.26Å; L100-Y104 WeakPolarHBondContact O-CB 3.25Å; L100-Y104 PolarHBondContact O-N 3.37Å |
| 101 | L | 81.7 | Confident | 75.4 | Confident | 95 Ų | 95 | 83 Ų | 83 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 177.7 | -171.5 | 70 | 0 | 0 | 0 | 111.3 | T97 Y104 F105 | T97-L101 VanDerWaalsContact O-CB 3.31Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 PolarHBondContact O-N 2.88Å; L101-Y104 WeakPolarHBondContact O-CB 3.31Å; L101-Y104 PolarHBondContact O-N 3.41Å; L101-F105 HydrophobicContact CD1-CD2 4.18Å; L101-F105 HydrophobicContact CD1-CE2 3.6Å; L101-F105 HydrophobicContact CD1-CZ 4.46Å; L101-F105 HydrophobicContact CD2-CE2 4.18Å; L101-F105 HydrophobicContact CG-CD2 3.9Å; L101-F105 HydrophobicContact CG-CE2 3.61Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 2.94Å |
| 102 | S | 77.1 | Confident | 74.5 | Confident | 15 Ų | 15 | 84.3 Ų | 84.3 | 11% | 0.105 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.4 | -37 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | L98 L99 Y106 | L98-S102 WeakPolarHBondContact O-CB 3.18Å; L98-S102 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-OG 2.83Å; L99-S102 WeakPolarHBondContact CA-OG 3.34Å; L99-S102 PolarHBondContact O-N 3.35Å; L99-S102 PolarHBondContact O-OG 2.7Å; S102-Y106 WeakPolarHBondContact O-CB 3.42Å; S102-Y106 PolarHBondContact O-N 3.41Å |
| 103 | G | 76.3 | Confident | 73.7 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L99 L100 Y106 Y107 | L99-G103 PolarHBondContact O-N 3.01Å; L100-G103 PolarHBondContact O-N 3.26Å; G103-Y106 WeakPolarHBondContact O-CB 3.26Å; G103-Y106 PolarHBondContact O-N 2.85Å; G103-Y107 PolarHBondContact O-N 2.81Å; G103-Y107 VanDerWaalsContact O-N 3.07Å |
| 104 | Y | 80.2 | Confident | 72.8 | Confident | 151 Ų | 151 | 83.9 Ų | 83.9 | 59% | 0.592 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.1 | -47.4 | 175 | 173.1 | -99.1 | 0 | 0 | 0 | 112 | L100 L101 Y106 Y107 S108 | L100-Y104 WeakPolarHBondContact O-CB 3.25Å; L100-Y104 PolarHBondContact O-N 3.37Å; L101-Y104 WeakPolarHBondContact O-CB 3.31Å; L101-Y104 PolarHBondContact O-N 3.41Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-Y106 PolarHBondContact O-N 3.29Å; Y104-Y107 PolarHBondContact O-N 3.08Å; Y104-S108 WeakPolarHBondContact O-CB 3.43Å; Y104-S108 PolarHBondContact O-N 3.06Å; Y104-S108 PolarHBondContact O-OG 3.49Å |
| 105 | F | 71.9 | Confident | 72.1 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 32% | 0.316 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.1 | -34.4 | 176.7 | -77.2 | -65.4 | 0 | 0 | 0 | 112.5 | V48 L101 S108 L109 | V48-F105 HydrophobicContact CG1-CB 3.65Å; V48-F105 HydrophobicContact CG2-CB 4.12Å; V48-F105 HydrophobicContact CG2-CD2 4.46Å; V48-F105 HydrophobicContact CG2-CG 4.29Å; L101-F105 HydrophobicContact CD1-CD2 4.18Å; L101-F105 HydrophobicContact CD1-CE2 3.6Å; L101-F105 HydrophobicContact CD1-CZ 4.46Å; L101-F105 HydrophobicContact CD2-CE2 4.18Å; L101-F105 HydrophobicContact CG-CD2 3.9Å; L101-F105 HydrophobicContact CG-CE2 3.61Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 2.94Å; F105-S108 PolarHBondContact O-N 3.23Å; F105-L109 HydrophobicContact CB-CD1 4.49Å; F105-L109 WeakPolarHBondContact O-CB 3.36Å; F105-L109 WeakPolarHBondContact O-CD1 3.36Å; F105-L109 WeakPolarHBondContact O-CG 3.27Å; F105-L109 PolarHBondContact O-N 3.49Å; F105-L109 VanDerWaalsContact O-N 3.08Å |
| 106 | Y | 71.2 | Confident | 71.9 | Confident | 68 Ų | 68 | 82.7 Ų | 82.7 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 173.4 | 176.5 | -100.9 | 0 | 0 | 0 | 112.4 | F49 S102 G103 Y104 | F49-Y106 HydrophobicContact CD1-CD2 4.31Å; F49-Y106 AromaticContact CE1-CD2 3.23Å; F49-Y106 HydrophobicContact CE1-CD2 3.23Å; F49-Y106 AromaticContact CE1-CE2 3.29Å; F49-Y106 HydrophobicContact CE1-CE2 3.29Å; F49-Y106 HydrophobicContact CE2-CD2 4.3Å; F49-Y106 AromaticContact CZ-CD2 3.22Å; F49-Y106 HydrophobicContact CZ-CD2 3.22Å; F49-Y106 AromaticContact CZ-CE2 3.32Å; F49-Y106 HydrophobicContact CZ-CE2 3.32Å; S102-Y106 WeakPolarHBondContact O-CB 3.42Å; S102-Y106 PolarHBondContact O-N 3.41Å; G103-Y106 WeakPolarHBondContact O-CB 3.26Å; G103-Y106 PolarHBondContact O-N 2.85Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-Y106 PolarHBondContact O-N 3.29Å |
| 107 | Y | 71.3 | Confident | 71.4 | Confident | 207 Ų | 207 | 86.4 Ų | 86.4 | 81% | 0.812 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72 | -36.3 | 178.9 | -176.1 | -98.1 | 0 | 0 | 0 | 112.6 | G103 Y104 | G103-Y107 PolarHBondContact O-N 2.81Å; G103-Y107 VanDerWaalsContact O-N 3.07Å; Y104-Y107 PolarHBondContact O-N 3.08Å |
| 108 | S | 71.8 | Confident | 71.2 | Confident | 60 Ų | 60 | 87.1 Ų | 87.1 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.5 | -21.7 | -176.1 | -55 | 0 | 0 | 0 | 0 | 113.6 | Y104 F105 | Y104-S108 WeakPolarHBondContact O-CB 3.43Å; Y104-S108 PolarHBondContact O-N 3.06Å; Y104-S108 PolarHBondContact O-OG 3.49Å; F105-S108 PolarHBondContact O-N 3.23Å |
| 109 | L | 65.6 | Low | 71.1 | Confident | 38 Ų | 38 | 91.3 Ų | 91.3 | 20% | 0.199 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -97.5 | 119.2 | 178.3 | -73.2 | 160.1 | 0 | 0 | 0 | 110.2 | R45 F105 N111 | R45-L109 HydrophobicContact CB-CD1 4.22Å; R45-L109 HydrophobicContact CG-CD1 4.47Å; F105-L109 HydrophobicContact CB-CD1 4.49Å; F105-L109 WeakPolarHBondContact O-CB 3.36Å; F105-L109 WeakPolarHBondContact O-CD1 3.36Å; F105-L109 WeakPolarHBondContact O-CG 3.27Å; F105-L109 PolarHBondContact O-N 3.49Å; F105-L109 VanDerWaalsContact O-N 3.08Å; L109-N111 PolarHBondContact O-N 3.39Å |
| 110 | P | 61.3 | Low | 70.9 | Confident | 110 Ų | 110 | 91.2 Ų | 91.2 | 71% | 0.714 | 50% | 0.499 | S | S | * | . | trans | -59.5 | 130.7 | -173.6 | 20.7 | -31.1 | 0 | 0 | 0 | 112 | R45 A112 | R45-P110 PolarHBondContact NH1-O 3.46Å; P110-A112 PolarHBondContact O-N 2.93Å; P110-A112 VanDerWaalsContact O-N 3.17Å | ||
| 111 | N | 57.3 | Low | 70.7 | Confident | 84 Ų | 84 | 88 Ų | 88 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | trans | -78.1 | 102.4 | -171.6 | -165 | 16.4 | 0 | 0 | 0 | 112.1 | R45 L109 V113 | R45-N111 PolarHBondContact NH2-OD1 2.84Å; L109-N111 PolarHBondContact O-N 3.39Å; N111-V113 PolarHBondContact OD1-O 3.06Å | ||
| 112 | A | 57.2 | Low | 70.9 | Confident | 86 Ų | 86 | 86.1 Ų | 86.1 | 71% | 0.711 | 48% | 0.48 | S | S | * | . | trans | -89.8 | -14.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R45 P110 | R45-A112 VanDerWaalsContact NH1-N 3.11Å; P110-A112 PolarHBondContact O-N 2.93Å; P110-A112 VanDerWaalsContact O-N 3.17Å | ||
| 113 | V | 58 | Low | 71.4 | Confident | 91 Ų | 91 | 89.6 Ų | 89.6 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -108.3 | 102 | -176.6 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | N111 L115 | N111-V113 PolarHBondContact OD1-O 3.06Å; V113-L115 PolarHBondContact O-N 3.46Å |
| 114 | G | 59.5 | Low | 71.8 | Confident | 81 Ų | 81 | 88.8 Ų | 88.8 | 84% | 0.835 | 48% | 0.483 | S | S | * | . | trans | -67.1 | 27.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 115 | L | 64.7 | Low | 72.2 | Confident | 82 Ų | 82 | 83 Ų | 83 | 43% | 0.429 | 47% | 0.469 | S | S | . | . | trans | -79.7 | 129.6 | 172.9 | -127.7 | 82.9 | 0 | 0 | 0 | 109.7 | V113 F117 M120 | V113-L115 PolarHBondContact O-N 3.46Å; L115-F117 PolarHBondContact O-N 2.96Å; L115-M120 HydrophobicContact CD2-CG 4.4Å | ||
| 116 | P | 73.3 | Confident | 73 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 47% | 0.474 | 48% | 0.481 | S | S | . | . | trans | -66.9 | 135.5 | 179.4 | 22.7 | -27.5 | 0 | 0 | 0 | 110.6 | T118 W119 | P116-T118 PolarHBondContact O-N 3.27Å; P116-T118 VanDerWaalsContact O-N 3.1Å; P116-W119 HydrophobicContact CG-CB 4.23Å; P116-W119 WeakPolarHBondContact O-CB 3.42Å; P116-W119 PolarHBondContact O-N 3.28Å | ||
| 117 | F | 71.5 | Confident | 73.9 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 47% | 0.474 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -52.4 | -34 | 179.8 | 178.8 | -107.4 | 0 | 0 | 0 | 113.2 | L115 W119 M120 L121 | L115-F117 PolarHBondContact O-N 2.96Å; F117-W119 VanDerWaalsContact C-N 3.32Å; F117-W119 PolarHBondContact O-N 3.34Å; F117-M120 HydrophobicContact CB-CE 4.49Å; F117-M120 HydrophobicContact CD2-CE 4.16Å; F117-M120 PolarHBondContact O-N 2.9Å; F117-L121 HydrophobicContact CD1-CD1 3.83Å; F117-L121 HydrophobicContact CD1-CG 4.27Å; F117-L121 HydrophobicContact CE1-CD1 3.41Å; F117-L121 VanDerWaalsContact CE1-CD1 3.41Å; F117-L121 HydrophobicContact CE1-CD2 4.33Å; F117-L121 HydrophobicContact CE1-CG 3.93Å; F117-L121 HydrophobicContact CZ-CD1 4Å; F117-L121 HydrophobicContact CZ-CD2 4.06Å; F117-L121 HydrophobicContact CZ-CG 4.08Å; F117-L121 PolarHBondContact O-N 3.16Å |
| 118 | T | 77.4 | Confident | 74.8 | Confident | 99 Ų | 99 | 75 Ų | 75 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.2 | -36.1 | 176.9 | 51 | 0 | 0 | 0 | 0 | 113.3 | P116 L121 A122 | P116-T118 PolarHBondContact O-N 3.27Å; P116-T118 VanDerWaalsContact O-N 3.1Å; T118-L121 PolarHBondContact O-N 3.31Å; T118-A122 WeakPolarHBondContact O-CB 3.28Å; T118-A122 PolarHBondContact O-N 3.08Å |
| 119 | W | 79.8 | Confident | 75.6 | Confident | 159 Ų | 159 | 74.9 Ų | 74.9 | 60% | 0.602 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.7 | -39.2 | 177.2 | -121.2 | 71.2 | 0 | 0 | 0 | 111.7 | P116 F117 L121 A122 L123 | P116-W119 HydrophobicContact CG-CB 4.23Å; P116-W119 WeakPolarHBondContact O-CB 3.42Å; P116-W119 PolarHBondContact O-N 3.28Å; F117-W119 VanDerWaalsContact C-N 3.32Å; F117-W119 PolarHBondContact O-N 3.34Å; W119-L121 VanDerWaalsContact C-N 3.33Å; W119-L121 PolarHBondContact O-N 3.27Å; W119-A122 PolarHBondContact O-N 2.94Å; W119-L123 HydrophobicContact CE3-CD1 3.7Å; W119-L123 HydrophobicContact CE3-CG 4.14Å; W119-L123 HydrophobicContact CZ3-CD1 3.95Å; W119-L123 HydrophobicContact CZ3-CD2 4.43Å; W119-L123 HydrophobicContact CZ3-CG 4.4Å; W119-L123 WeakPolarHBondContact O-CB 3.42Å; W119-L123 WeakPolarHBondContact O-CG 3.33Å; W119-L123 PolarHBondContact O-N 3.39Å |
| 120 | M | 76.9 | Confident | 76.9 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 32% | 0.32 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 174.8 | -67.7 | -169.1 | -75 | 0 | 0 | 111.5 | F49 L115 F117 L124 | F49-M120 HydrophobicContact CE1-CE 4.47Å; L115-M120 HydrophobicContact CD2-CG 4.4Å; F117-M120 HydrophobicContact CB-CE 4.49Å; F117-M120 HydrophobicContact CD2-CE 4.16Å; F117-M120 PolarHBondContact O-N 2.9Å; M120-L124 VanDerWaalsContact O-CB 3.3Å; M120-L124 WeakPolarHBondContact O-CB 3.39Å; M120-L124 PolarHBondContact O-N 3.47Å |
| 121 | L | 80.4 | Confident | 78.2 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 35% | 0.346 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.1 | -71 | 179.1 | 0 | 0 | 0 | 112.4 | L56 F117 T118 W119 L124 G125 | L56-L121 HydrophobicContact CD2-CD2 3.42Å; L56-L121 VanDerWaalsContact CD2-CD2 3.42Å; F117-L121 HydrophobicContact CD1-CD1 3.83Å; F117-L121 HydrophobicContact CD1-CG 4.27Å; F117-L121 HydrophobicContact CE1-CD1 3.41Å; F117-L121 VanDerWaalsContact CE1-CD1 3.41Å; F117-L121 HydrophobicContact CE1-CD2 4.33Å; F117-L121 HydrophobicContact CE1-CG 3.93Å; F117-L121 HydrophobicContact CZ-CD1 4Å; F117-L121 HydrophobicContact CZ-CD2 4.06Å; F117-L121 HydrophobicContact CZ-CG 4.08Å; F117-L121 PolarHBondContact O-N 3.16Å; T118-L121 PolarHBondContact O-N 3.31Å; W119-L121 VanDerWaalsContact C-N 3.33Å; W119-L121 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 2.97Å; L121-G125 PolarHBondContact O-N 3.32Å |
| 122 | A | 86.5 | Confident | 79.7 | Confident | 54 Ų | 54 | 74 Ų | 74 | 45% | 0.446 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T118 W119 G125 L126 | T118-A122 WeakPolarHBondContact O-CB 3.28Å; T118-A122 PolarHBondContact O-N 3.08Å; W119-A122 PolarHBondContact O-N 2.94Å; A122-G125 PolarHBondContact O-N 3.24Å; A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 WeakPolarHBondContact O-CG 3.27Å; A122-L126 PolarHBondContact O-N 3.27Å |
| 123 | L | 86.8 | Confident | 81.2 | Confident | 88 Ų | 88 | 77 Ų | 77 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.8 | -72.5 | 175.1 | 0 | 0 | 0 | 112.1 | W119 L126 S127 | W119-L123 HydrophobicContact CE3-CD1 3.7Å; W119-L123 HydrophobicContact CE3-CG 4.14Å; W119-L123 HydrophobicContact CZ3-CD1 3.95Å; W119-L123 HydrophobicContact CZ3-CD2 4.43Å; W119-L123 HydrophobicContact CZ3-CG 4.4Å; W119-L123 WeakPolarHBondContact O-CB 3.42Å; W119-L123 WeakPolarHBondContact O-CG 3.33Å; W119-L123 PolarHBondContact O-N 3.39Å; L123-L126 PolarHBondContact O-N 3.46Å; L123-S127 WeakPolarHBondContact O-CB 3.34Å; L123-S127 PolarHBondContact O-N 2.83Å; L123-S127 PolarHBondContact O-OG 3.25Å |
| 124 | L | 85.9 | Confident | 82.7 | Confident | 23 Ų | 23 | 78.2 Ų | 78.2 | 12% | 0.12 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 174.9 | -178 | 65.6 | 0 | 0 | 0 | 110.8 | L56 M120 L121 L126 S127 Q128 | L56-L124 HydrophobicContact CB-CD2 3.79Å; L56-L124 HydrophobicContact CD2-CD2 3.54Å; L56-L124 HydrophobicContact CG-CD2 3.65Å; M120-L124 VanDerWaalsContact O-CB 3.3Å; M120-L124 WeakPolarHBondContact O-CB 3.39Å; M120-L124 PolarHBondContact O-N 3.47Å; L121-L124 PolarHBondContact O-N 2.97Å; L124-L126 PolarHBondContact O-N 3.44Å; L124-S127 PolarHBondContact O-N 3.47Å; L124-S127 PolarHBondContact O-OG 3.37Å; L124-Q128 HydrophobicContact CD1-CG 4.4Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 3.39Å |
| 125 | G | 87.1 | Confident | 84 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.8 | -48 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L121 A122 S127 Q128 A129 | L121-G125 PolarHBondContact O-N 3.32Å; A122-G125 PolarHBondContact O-N 3.24Å; G125-S127 PolarHBondContact O-N 2.99Å; G125-Q128 PolarHBondContact O-N 3.05Å; G125-A129 WeakPolarHBondContact O-CB 3.39Å; G125-A129 PolarHBondContact O-N 3.1Å |
| 126 | L | 90.5 | Very high | 85 | Confident | 108 Ų | 108 | 78.2 Ų | 78.2 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -58.6 | -45.7 | 175.1 | -75.6 | 166.1 | 0 | 0 | 0 | 111.9 | A122 L123 L124 Q128 A129 L130 | A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 WeakPolarHBondContact O-CG 3.27Å; A122-L126 PolarHBondContact O-N 3.27Å; L123-L126 PolarHBondContact O-N 3.46Å; L124-L126 PolarHBondContact O-N 3.44Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; L126-Q128 PolarHBondContact O-N 3.11Å; L126-A129 PolarHBondContact O-N 2.79Å; L126-L130 WeakPolarHBondContact O-CB 3.36Å; L126-L130 WeakPolarHBondContact O-CG 3.33Å; L126-L130 PolarHBondContact O-N 3.39Å |
| 127 | S | 90 | Very high | 85.4 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 32% | 0.315 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 179 | 75.7 | 0 | 0 | 0 | 0 | 112.4 | L123 L124 G125 L130 N131 | L123-S127 WeakPolarHBondContact O-CB 3.34Å; L123-S127 PolarHBondContact O-N 2.83Å; L123-S127 PolarHBondContact O-OG 3.25Å; L124-S127 PolarHBondContact O-N 3.47Å; L124-S127 PolarHBondContact O-OG 3.37Å; G125-S127 PolarHBondContact O-N 2.99Å; S127-L130 PolarHBondContact O-N 2.83Å; S127-N131 WeakPolarHBondContact O-CB 3.25Å; S127-N131 VanDerWaalsContact O-CG 3.25Å; S127-N131 PolarHBondContact O-N 3.41Å; S127-N131 PolarHBondContact O-ND2 2.63Å |
| 128 | Q | 89.6 | Confident | 86 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 12% | 0.121 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.7 | -40.9 | 178.2 | -66 | -55.7 | -34.2 | 0 | 0 | 111.7 | L60 L124 G125 L126 L130 N131 I132 | L60-Q128 HydrophobicContact CD1-CG 4.29Å; L124-Q128 HydrophobicContact CD1-CG 4.4Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 3.39Å; G125-Q128 PolarHBondContact O-N 3.05Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; L126-Q128 PolarHBondContact O-N 3.11Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.32Å; Q128-N131 PolarHBondContact O-N 3.47Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 PolarHBondContact O-N 3.03Å |
| 129 | A | 89.3 | Confident | 86.6 | Confident | 57 Ų | 57 | 76.1 Ų | 76.1 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G125 L126 I132 L133 | G125-A129 WeakPolarHBondContact O-CB 3.39Å; G125-A129 PolarHBondContact O-N 3.1Å; L126-A129 PolarHBondContact O-N 2.79Å; A129-I132 PolarHBondContact O-N 3.49Å; A129-L133 VanDerWaalsContact O-CB 3.32Å; A129-L133 WeakPolarHBondContact O-CB 3.47Å; A129-L133 PolarHBondContact O-N 3.21Å |
| 130 | L | 91.6 | Very high | 87.1 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 174.6 | -74 | 171.6 | 0 | 0 | 0 | 111.9 | L126 S127 Q128 I132 L133 L134 | L126-L130 WeakPolarHBondContact O-CB 3.36Å; L126-L130 WeakPolarHBondContact O-CG 3.33Å; L126-L130 PolarHBondContact O-N 3.39Å; S127-L130 PolarHBondContact O-N 2.83Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.32Å; L130-I132 VanDerWaalsContact C-N 3.28Å; L130-I132 PolarHBondContact O-N 2.84Å; L130-L133 PolarHBondContact O-N 3.39Å; L130-L134 HydrophobicContact CB-CD1 4.44Å; L130-L134 VanDerWaalsContact O-CB 3.23Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.38Å; L130-L134 PolarHBondContact O-N 3.47Å |
| 131 | N | 89.3 | Confident | 87.7 | Confident | 49 Ų | 49 | 74 Ų | 74 | 26% | 0.262 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.2 | -39 | 177.8 | -77.1 | -41.7 | 0 | 0 | 0 | 112.8 | S127 Q128 G135 L136 K137 | S127-N131 WeakPolarHBondContact O-CB 3.25Å; S127-N131 VanDerWaalsContact O-CG 3.25Å; S127-N131 PolarHBondContact O-N 3.41Å; S127-N131 PolarHBondContact O-ND2 2.63Å; Q128-N131 PolarHBondContact O-N 3.47Å; N131-G135 PolarHBondContact O-N 2.88Å; N131-L136 PolarHBondContact O-N 3.2Å; N131-L136 WeakPolarHBondContact OD1-CD1 3.27Å; N131-K137 HydrophobicContact CB-CG 4.47Å |
| 132 | I | 87.6 | Confident | 88.1 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 36% | 0.359 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.2 | -49.8 | 177.5 | -67 | 167.2 | 0 | 0 | 0 | 110.1 | C64 Q128 A129 L130 L134 G135 | C64-I132 HydrophobicContact CB-CD1 3.87Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 PolarHBondContact O-N 3.03Å; A129-I132 PolarHBondContact O-N 3.49Å; L130-I132 VanDerWaalsContact C-N 3.28Å; L130-I132 PolarHBondContact O-N 2.84Å; I132-L134 VanDerWaalsContact C-N 3.32Å; I132-L134 PolarHBondContact O-N 3.02Å; I132-G135 PolarHBondContact O-N 3.32Å; I132-G135 VanDerWaalsContact O-N 3.08Å |
| 133 | L | 88.6 | Confident | 88.3 | Confident | 148 Ų | 148 | 75.8 Ų | 75.8 | 78% | 0.775 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.2 | -36.9 | -176 | -172.6 | 65.6 | 0 | 0 | 0 | 112.6 | A129 L130 G135 | A129-L133 VanDerWaalsContact O-CB 3.32Å; A129-L133 WeakPolarHBondContact O-CB 3.47Å; A129-L133 PolarHBondContact O-N 3.21Å; L130-L133 PolarHBondContact O-N 3.39Å; L133-G135 VanDerWaalsContact C-N 3.31Å |
| 134 | L | 90.8 | Very high | 88.3 | Confident | 116 Ų | 116 | 75.7 Ų | 75.7 | 61% | 0.607 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.7 | 177.5 | -64.4 | 170.2 | 0 | 0 | 0 | 113 | L130 I132 L136 | L130-L134 HydrophobicContact CB-CD1 4.44Å; L130-L134 VanDerWaalsContact O-CB 3.23Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.38Å; L130-L134 PolarHBondContact O-N 3.47Å; I132-L134 VanDerWaalsContact C-N 3.32Å; I132-L134 PolarHBondContact O-N 3.02Å; L134-L136 VanDerWaalsContact C-N 3.26Å; L134-L136 HydrophobicContact CB-CD1 4.17Å; L134-L136 HydrophobicContact CB-CD2 4.43Å; L134-L136 HydrophobicContact CB-CG 3.83Å; L134-L136 HydrophobicContact CD1-CD1 4.15Å; L134-L136 PolarHBondContact O-N 3.35Å |
| 135 | G | 85.9 | Confident | 88.3 | Confident | 50 Ų | 50 | 76.6 Ų | 76.6 | 52% | 0.515 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 23.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | N131 I132 L133 K137 G138 | N131-G135 PolarHBondContact O-N 2.88Å; I132-G135 PolarHBondContact O-N 3.32Å; I132-G135 VanDerWaalsContact O-N 3.08Å; L133-G135 VanDerWaalsContact C-N 3.31Å; G135-K137 PolarHBondContact O-N 2.9Å; G135-K137 VanDerWaalsContact O-N 3.08Å; G135-G138 PolarHBondContact O-N 3.37Å |
| 136 | L | 85.3 | Confident | 88.3 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 59% | 0.592 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -9.3 | -174.3 | -64.6 | 177 | 0 | 0 | 0 | 113.9 | N131 L134 | N131-L136 PolarHBondContact O-N 3.2Å; N131-L136 WeakPolarHBondContact OD1-CD1 3.27Å; L134-L136 VanDerWaalsContact C-N 3.26Å; L134-L136 HydrophobicContact CB-CD1 4.17Å; L134-L136 HydrophobicContact CB-CD2 4.43Å; L134-L136 HydrophobicContact CB-CG 3.83Å; L134-L136 HydrophobicContact CD1-CD1 4.15Å; L134-L136 PolarHBondContact O-N 3.35Å |
| 137 | K | 82.7 | Confident | 88.1 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 35% | 0.352 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 11.2 | 178.6 | -61.9 | -175.9 | -176.6 | 176.3 | 0 | 113.8 | N61 N131 G135 L139 | N61-K137 PolarHBondContact OD1-NZ 3.04Å; N131-K137 HydrophobicContact CB-CG 4.47Å; G135-K137 PolarHBondContact O-N 2.9Å; G135-K137 VanDerWaalsContact O-N 3.08Å; K137-L139 PolarHBondContact O-N 3.42Å |
| 138 | G | 84.5 | Confident | 87.7 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 135.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G135 | G135-G138 PolarHBondContact O-N 3.37Š|
| 139 | L | 88.6 | Confident | 87.3 | Confident | 98 Ų | 98 | 78 Ų | 78 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 144.3 | 175.4 | -78.3 | 76.2 | 0 | 0 | 0 | 109.9 | K137 E143 I144 V147 | K137-L139 PolarHBondContact O-N 3.42Å; L139-E143 HydrophobicContact CB-CB 4.22Å; L139-E143 HydrophobicContact CD2-CB 4.16Å; L139-E143 HydrophobicContact CG-CB 4.45Å; L139-I144 HydrophobicContact CB-CD1 4.36Å; L139-I144 HydrophobicContact CB-CG1 3.75Å; L139-V147 HydrophobicContact CD2-CG2 4.46Å |
| 140 | T | 90.3 | Very high | 86.9 | Confident | 70 Ų | 70 | 84.2 Ų | 84.2 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 155 | 172.7 | 64 | 0 | 0 | 0 | 0 | 110.8 | A142 E143 I144 | T140-A142 PolarHBondContact O-N 2.98Å; T140-A142 VanDerWaalsContact O-N 3.1Å; T140-E143 WeakPolarHBondContact CB-OE2 3.41Å; T140-E143 PolarHBondContact N-OE2 3.16Å; T140-E143 PolarHBondContact O-N 3.21Å; T140-E143 VanDerWaalsContact OG1-CD 3.29Å; T140-E143 VanDerWaalsContact OG1-CG 3.28Å; T140-E143 WeakPolarHBondContact OG1-CG 3.46Å; T140-E143 PolarHBondContact OG1-N 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.88Å; T140-I144 WeakPolarHBondContact O-CG1 3.17Å; T140-I144 PolarHBondContact O-N 3.49Å |
| 141 | P | 90.7 | Very high | 86 | Confident | 110 Ų | 110 | 81 Ų | 81 | 71% | 0.714 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -55.3 | -32.4 | 177.4 | -27.8 | 35.4 | 0 | 0 | 0 | 113.8 | S145 | P141-S145 VanDerWaalsContact O-CB 3.29Å; P141-S145 WeakPolarHBondContact O-CB 3.34Å; P141-S145 PolarHBondContact O-N 3.37Å |
| 142 | A | 89.1 | Confident | 85.1 | Confident | 59 Ų | 59 | 83 Ų | 83 | 49% | 0.488 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R14 T140 A146 | R14-A142 PolarHBondContact NH2-O 3.41Å; T140-A142 PolarHBondContact O-N 2.98Å; T140-A142 VanDerWaalsContact O-N 3.1Å; A142-A146 WeakPolarHBondContact O-CB 3.4Å; A142-A146 PolarHBondContact O-N 3.01Å |
| 143 | E | 89.5 | Confident | 84.3 | Confident | 99 Ų | 99 | 83 Ų | 83 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.2 | -42.9 | 175.7 | -69.7 | 165.5 | 137.9 | 0 | 0 | 111.3 | L139 T140 S145 A146 V147 | L139-E143 HydrophobicContact CB-CB 4.22Å; L139-E143 HydrophobicContact CD2-CB 4.16Å; L139-E143 HydrophobicContact CG-CB 4.45Å; T140-E143 WeakPolarHBondContact CB-OE2 3.41Å; T140-E143 PolarHBondContact N-OE2 3.16Å; T140-E143 PolarHBondContact O-N 3.21Å; T140-E143 VanDerWaalsContact OG1-CD 3.29Å; T140-E143 VanDerWaalsContact OG1-CG 3.28Å; T140-E143 WeakPolarHBondContact OG1-CG 3.46Å; T140-E143 PolarHBondContact OG1-N 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.88Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 2.77Å; E143-A146 WeakPolarHBondContact O-CB 3.15Å; E143-A146 PolarHBondContact O-N 3.41Å; E143-A146 VanDerWaalsContact O-N 3.14Å; E143-V147 WeakPolarHBondContact O-CG2 3.4Å; E143-V147 PolarHBondContact O-N 2.9Å |
| 144 | I | 87.3 | Confident | 84.1 | Confident | 86 Ų | 86 | 80.9 Ų | 80.9 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.2 | -49.5 | 174.1 | -63.7 | 171.2 | 0 | 0 | 0 | 109.8 | L139 T140 A146 V147 C148 | L139-I144 HydrophobicContact CB-CD1 4.36Å; L139-I144 HydrophobicContact CB-CG1 3.75Å; T140-I144 WeakPolarHBondContact O-CG1 3.17Å; T140-I144 PolarHBondContact O-N 3.49Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 3.38Å; I144-V147 PolarHBondContact O-N 3.46Å; I144-V147 VanDerWaalsContact O-N 3.15Å; I144-C148 PolarHBondContact O-N 3.15Å; I144-C148 PolarHBondContact O-SG 3.03Å; I144-C148 VanDerWaalsContact O-SG 3.32Å |
| 145 | S | 85.5 | Confident | 84.1 | Confident | 41 Ų | 41 | 77 Ų | 77 | 29% | 0.287 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 176.9 | 164.8 | 0 | 0 | 0 | 0 | 112.3 | R14 P141 E143 C148 E149 | R14-S145 PolarHBondContact NH1-OG 3.06Å; R14-S145 VanDerWaalsContact NH1-OG 3.13Å; R14-S145 PolarHBondContact NH2-OG 3.27Å; P141-S145 VanDerWaalsContact O-CB 3.29Å; P141-S145 WeakPolarHBondContact O-CB 3.34Å; P141-S145 PolarHBondContact O-N 3.37Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 2.77Å; S145-C148 PolarHBondContact O-N 3.13Å; S145-E149 WeakPolarHBondContact O-CB 3.29Å; S145-E149 WeakPolarHBondContact O-CG 3.45Å; S145-E149 PolarHBondContact O-N 2.96Å; S145-E149 PolarHBondContact OG-OE1 3.43Å |
| 146 | A | 87.4 | Confident | 84.3 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 28% | 0.281 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A142 E143 I144 K150 | A142-A146 WeakPolarHBondContact O-CB 3.4Å; A142-A146 PolarHBondContact O-N 3.01Å; E143-A146 WeakPolarHBondContact O-CB 3.15Å; E143-A146 PolarHBondContact O-N 3.41Å; E143-A146 VanDerWaalsContact O-N 3.14Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 3.38Å; A146-K150 WeakPolarHBondContact O-CB 3.17Å; A146-K150 PolarHBondContact O-N 2.81Å |
| 147 | V | 86.6 | Confident | 84.7 | Confident | 74 Ų | 74 | 73 Ų | 73 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 175 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | L139 E143 I144 K150 G151 F153 | L139-V147 HydrophobicContact CD2-CG2 4.46Å; E143-V147 WeakPolarHBondContact O-CG2 3.4Å; E143-V147 PolarHBondContact O-N 2.9Å; I144-V147 PolarHBondContact O-N 3.46Å; I144-V147 VanDerWaalsContact O-N 3.15Å; V147-K150 PolarHBondContact O-N 2.92Å; V147-G151 PolarHBondContact O-N 3.28Å; V147-F153 HydrophobicContact CG1-CD2 4.09Å; V147-F153 HydrophobicContact CG1-CE2 3.85Å; V147-F153 WeakPolarHBondContact O-CD2 3.44Å; V147-F153 WeakPolarHBondContact O-CE2 3.19Å |
| 148 | C | 82.1 | Confident | 85.3 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 179 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | I144 S145 N152 F153 | I144-C148 PolarHBondContact O-N 3.15Å; I144-C148 PolarHBondContact O-SG 3.03Å; I144-C148 VanDerWaalsContact O-SG 3.32Å; S145-C148 PolarHBondContact O-N 3.13Å; C148-N152 PolarHBondContact O-N 2.76Å; C148-N152 VanDerWaalsContact O-N 3.1Å; C148-F153 PolarHBondContact O-N 3.03Å |
| 149 | E | 80.9 | Confident | 85.9 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 178.6 | -77.7 | 171.1 | -144.2 | 0 | 0 | 112.4 | R14 S145 | R14-E149 IonicContact CZ-OE1 3.01Å; R14-E149 IonicContact CZ-OE2 3.46Å; R14-E149 IonicContact NH1-OE1 3.99Å; R14-E149 PolarHBondContact NH1-OE1 3.04Å; R14-E149 IonicContact NH1-OE2 2.83Å; R14-E149 PolarHBondContact NH1-OE2 3.41Å; R14-E149 IonicContact NH2-OE1 3.6Å; S145-E149 WeakPolarHBondContact O-CB 3.29Å; S145-E149 WeakPolarHBondContact O-CG 3.45Å; S145-E149 PolarHBondContact O-N 2.96Å; S145-E149 PolarHBondContact OG-OE1 3.43Å |
| 150 | K | 81.2 | Confident | 86.3 | Confident | 187 Ų | 187 | 65.2 Ų | 65.2 | 81% | 0.813 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.7 | -35.9 | -178.6 | -173.3 | 178.7 | 178.4 | -175.2 | 0 | 112.4 | A146 V147 | A146-K150 WeakPolarHBondContact O-CB 3.17Å; A146-K150 PolarHBondContact O-N 2.81Å; V147-K150 PolarHBondContact O-N 2.92Å |
| 151 | G | 71.2 | Confident | 86.6 | Confident | 29 Ų | 29 | 68 Ų | 68 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -100.4 | 2.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V147 F153 | V147-G151 PolarHBondContact O-N 3.28Å; G151-F153 WeakPolarHBondContact O-CD1 3.47Å; G151-F153 PolarHBondContact O-N 3.17Å; G151-F153 VanDerWaalsContact O-N 3.16Å |
| 152 | N | 71.9 | Confident | 86.9 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 33.4 | -176.1 | -61.4 | -38.5 | 0 | 0 | 0 | 113.6 | C148 N154 V155 | C148-N152 PolarHBondContact O-N 2.76Å; C148-N152 VanDerWaalsContact O-N 3.1Å; N152-N154 PolarHBondContact O-N 2.61Å; N152-V155 WeakPolarHBondContact O-CG2 3.31Å |
| 153 | F | 70.8 | Confident | 87.3 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 32% | 0.316 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 0.5 | -167.3 | -64.7 | -54.3 | 0 | 0 | 0 | 115.7 | V147 C148 G151 | V147-F153 HydrophobicContact CG1-CD2 4.09Å; V147-F153 HydrophobicContact CG1-CE2 3.85Å; V147-F153 WeakPolarHBondContact O-CD2 3.44Å; V147-F153 WeakPolarHBondContact O-CE2 3.19Å; C148-F153 PolarHBondContact O-N 3.03Å; G151-F153 WeakPolarHBondContact O-CD1 3.47Å; G151-F153 PolarHBondContact O-N 3.17Å; G151-F153 VanDerWaalsContact O-N 3.16Å |
| 154 | N | 83.1 | Confident | 87.7 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -0.2 | -174.2 | -65.5 | -20.4 | 0 | 0 | 0 | 114 | N152 G158 | N152-N154 PolarHBondContact O-N 2.61Å; N154-G158 PolarHBondContact O-N 3.4Å |
| 155 | V | 90.6 | Very high | 88.1 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -50.6 | -173.6 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | N152 H157 G158 L159 L268 M271 | N152-V155 WeakPolarHBondContact O-CG2 3.31Å; V155-H157 VanDerWaalsContact C-N 3.33Å; V155-H157 PolarHBondContact O-N 2.99Å; V155-G158 PolarHBondContact O-N 2.98Å; V155-L159 HydrophobicContact CG1-CD1 3.75Å; V155-L159 HydrophobicContact CG1-CG 4.12Å; V155-L159 WeakPolarHBondContact O-CB 3.36Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 3.3Å; V155-L268 HydrophobicContact CG1-CD2 3.76Å; V155-M271 HydrophobicContact CG1-CE 4.07Å; V155-M271 HydrophobicContact CG1-SD 4.02Å; V155-M271 HydrophobicContact CG2-CE 4.04Å |
| 156 | A | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L159 A160 Q287 L290 F291 | A156-L159 PolarHBondContact O-N 3.37Å; A156-A160 WeakPolarHBondContact O-CB 3.5Å; A156-A160 PolarHBondContact O-N 3.25Å; A156-Q287 HydrophobicContact CB-CB 4.33Å; A156-Q287 WeakPolarHBondContact CB-O 3.33Å; A156-L290 HydrophobicContact CB-CB 3.81Å; A156-L290 HydrophobicContact CB-CD2 3.84Å; A156-L290 HydrophobicContact CB-CG 3.69Å; A156-F291 HydrophobicContact CB-CB 4.16Å |
| 157 | H | 92.4 | Very high | 88.9 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 177.8 | -77.2 | 87.1 | 0 | 0 | 0 | 111.7 | V155 L159 A160 W161 | V155-H157 VanDerWaalsContact C-N 3.33Å; V155-H157 PolarHBondContact O-N 2.99Å; H157-L159 VanDerWaalsContact C-N 3.32Å; H157-L159 PolarHBondContact O-N 3.03Å; H157-A160 PolarHBondContact O-N 3.34Å; H157-W161 PolarHBondContact O-N 3.44Å |
| 158 | G | 95 | Very high | 89.3 | Confident | 44 Ų | 44 | 56 Ų | 56 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N154 V155 S162 | N154-G158 PolarHBondContact O-N 3.4Å; V155-G158 PolarHBondContact O-N 2.98Å; G158-S162 WeakPolarHBondContact O-CB 3.43Å; G158-S162 PolarHBondContact O-N 2.85Å |
| 159 | L | 97.1 | Very high | 89.9 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 16% | 0.157 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 177.1 | -71.7 | -178.2 | 0 | 0 | 0 | 112.7 | V155 A156 H157 S162 Y163 P264 T267 L268 F291 | V155-L159 HydrophobicContact CG1-CD1 3.75Å; V155-L159 HydrophobicContact CG1-CG 4.12Å; V155-L159 WeakPolarHBondContact O-CB 3.36Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 3.3Å; A156-L159 PolarHBondContact O-N 3.37Å; H157-L159 VanDerWaalsContact C-N 3.32Å; H157-L159 PolarHBondContact O-N 3.03Å; L159-S162 PolarHBondContact O-N 2.92Å; L159-Y163 VanDerWaalsContact O-CB 3.31Å; L159-Y163 WeakPolarHBondContact O-CB 3.44Å; L159-Y163 PolarHBondContact O-N 3.07Å; L159-P264 HydrophobicContact CB-CB 3.96Å; L159-P264 HydrophobicContact CD1-CB 4.19Å; L159-P264 HydrophobicContact CD2-CB 4.24Å; L159-P264 HydrophobicContact CG-CB 4.35Å; L159-T267 HydrophobicContact CD2-CG2 4.41Å; L159-L268 HydrophobicContact CD1-CD1 4.44Å; L159-L268 HydrophobicContact CD1-CD2 3.63Å; L159-L268 HydrophobicContact CD1-CG 3.76Å; L159-F291 HydrophobicContact CB-CD2 4.19Å; L159-F291 HydrophobicContact CB-CE2 4.46Å |
| 160 | A | 97.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A156 H157 S162 Y163 Y164 F291 T294 I298 | A156-A160 WeakPolarHBondContact O-CB 3.5Å; A156-A160 PolarHBondContact O-N 3.25Å; H157-A160 PolarHBondContact O-N 3.34Å; A160-S162 PolarHBondContact O-N 3.34Å; A160-Y163 PolarHBondContact O-N 3.35Å; A160-Y164 WeakPolarHBondContact O-CB 3.4Å; A160-Y164 PolarHBondContact O-N 3.36Å; A160-F291 HydrophobicContact CB-CD2 3.92Å; A160-F291 HydrophobicContact CB-CE2 4.2Å; A160-T294 HydrophobicContact CB-CG2 3.7Å; A160-I298 HydrophobicContact CB-CD1 4.04Å |
| 161 | W | 96.9 | Very high | 91 | Very high | 128 Ų | 128 | 49 Ų | 49 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 176.7 | -81.5 | 110.1 | 0 | 0 | 0 | 112.8 | H157 Y163 Y164 I165 I298 | H157-W161 PolarHBondContact O-N 3.44Å; W161-Y163 VanDerWaalsContact C-N 3.34Å; W161-Y163 PolarHBondContact O-N 3.04Å; W161-Y164 HydrophobicContact CE3-CD1 4.18Å; W161-Y164 HydrophobicContact CZ3-CD1 4Å; W161-Y164 HydrophobicContact CZ3-CE1 4.37Å; W161-Y164 PolarHBondContact O-N 2.92Å; W161-I165 HydrophobicContact CE3-CD1 4.39Å; W161-I165 HydrophobicContact CE3-CG1 3.99Å; W161-I165 HydrophobicContact CZ3-CD1 4.4Å; W161-I165 HydrophobicContact CZ3-CG1 4.5Å; W161-I165 WeakPolarHBondContact O-CB 3.46Å; W161-I165 WeakPolarHBondContact O-CG1 3.34Å; W161-I165 PolarHBondContact O-N 2.87Å; W161-I298 HydrophobicContact CD2-CD1 3.76Å; W161-I298 HydrophobicContact CD2-CG1 4.39Å; W161-I298 HydrophobicContact CE3-CD1 4.15Å; W161-I298 HydrophobicContact CG-CD1 4.09Å; W161-I298 HydrophobicContact CH2-CD1 4.49Å; W161-I298 HydrophobicContact CH2-CG1 4.1Å; W161-I298 HydrophobicContact CZ2-CD1 4.15Å; W161-I298 HydrophobicContact CZ2-CG1 3.89Å; W161-I298 HydrophobicContact CZ3-CD1 4.49Å; W161-I298 HydrophobicContact CZ3-CG1 4.43Å; W161-I298 HydrophobicContact CZ3-CG2 4.33Å |
| 162 | S | 97.6 | Very high | 92.1 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 57% | 0.566 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | 175.6 | -177 | 0 | 0 | 0 | 0 | 111.5 | G158 L159 A160 G166 | G158-S162 WeakPolarHBondContact O-CB 3.43Å; G158-S162 PolarHBondContact O-N 2.85Å; L159-S162 PolarHBondContact O-N 2.92Å; A160-S162 PolarHBondContact O-N 3.34Å; S162-G166 VanDerWaalsContact O-CA 3.25Å; S162-G166 WeakPolarHBondContact O-CA 3.17Å; S162-G166 PolarHBondContact O-N 3.02Å |
| 163 | Y | 97.8 | Very high | 93 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.4 | -43.3 | 178.1 | -171.2 | -119 | 0 | 0 | 0 | 111.7 | L159 A160 W161 Y167 L168 I200 E260 P264 F291 L295 | L159-Y163 VanDerWaalsContact O-CB 3.31Å; L159-Y163 WeakPolarHBondContact O-CB 3.44Å; L159-Y163 PolarHBondContact O-N 3.07Å; A160-Y163 PolarHBondContact O-N 3.35Å; W161-Y163 VanDerWaalsContact C-N 3.34Å; W161-Y163 PolarHBondContact O-N 3.04Å; Y163-Y167 HydrophobicContact CD2-CD1 4.11Å; Y163-Y167 AromaticContact CE2-CD1 3.46Å; Y163-Y167 HydrophobicContact CE2-CD1 3.46Å; Y163-Y167 VanDerWaalsContact CE2-CD1 3.46Å; Y163-Y167 HydrophobicContact CE2-CE1 4.02Å; Y163-Y167 HydrophobicContact CE2-CG 4.33Å; Y163-Y167 AromaticContact CZ-CD1 3.74Å; Y163-Y167 WeakPolarHBondContact O-CB 3.38Å; Y163-Y167 PolarHBondContact O-N 3.16Å; Y163-Y167 VanDerWaalsContact O-N 3.12Å; Y163-L168 HydrophobicContact CD1-CD1 3.79Å; Y163-L168 HydrophobicContact CD1-CG 3.96Å; Y163-L168 HydrophobicContact CE1-CD1 3.7Å; Y163-L168 HydrophobicContact CE1-CD2 3.83Å; Y163-L168 HydrophobicContact CE1-CG 3.76Å; Y163-L168 PolarHBondContact O-N 3.38Å; Y163-I200 HydrophobicContact CE1-CD1 4.36Å; Y163-E260 PolarHBondContact OH-OE1 3.07Å; Y163-P264 HydrophobicContact CD2-CG 3.8Å; Y163-P264 HydrophobicContact CG-CG 3.82Å; Y163-F291 HydrophobicContact CD1-CZ 4.4Å; Y163-L295 HydrophobicContact CD1-CD1 4.3Å; Y163-L295 HydrophobicContact CD1-CD2 4.06Å; Y163-L295 HydrophobicContact CE1-CD2 4.29Å |
| 164 | Y | 96.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -64.3 | -58.2 | 177.7 | 177.5 | -112.5 | 0 | 0 | 0 | 111.9 | A160 W161 L168 R169 I298 L299 N302 | A160-Y164 WeakPolarHBondContact O-CB 3.4Å; A160-Y164 PolarHBondContact O-N 3.36Å; W161-Y164 HydrophobicContact CE3-CD1 4.18Å; W161-Y164 HydrophobicContact CZ3-CD1 4Å; W161-Y164 HydrophobicContact CZ3-CE1 4.37Å; W161-Y164 PolarHBondContact O-N 2.92Å; Y164-L168 HydrophobicContact CD2-CB 4.05Å; Y164-L168 HydrophobicContact CD2-CD1 4.45Å; Y164-L168 PolarHBondContact O-N 3.17Å; Y164-L168 VanDerWaalsContact O-N 3.16Å; Y164-R169 HydrophobicContact CE2-CB 4.47Å; Y164-R169 VanDerWaalsContact O-CB 3.3Å; Y164-R169 WeakPolarHBondContact O-CB 3.21Å; Y164-R169 PolarHBondContact O-N 3.45Å; Y164-I298 HydrophobicContact CD1-CG2 3.46Å; Y164-I298 VanDerWaalsContact CD1-CG2 3.46Å; Y164-I298 HydrophobicContact CD2-CG2 3.77Å; Y164-I298 HydrophobicContact CE1-CG2 3.83Å; Y164-I298 HydrophobicContact CE2-CG2 4.15Å; Y164-I298 HydrophobicContact CG-CG2 3.43Å; Y164-I298 VanDerWaalsContact CG-CG2 3.43Å; Y164-L299 HydrophobicContact CD2-CD2 4.24Å; Y164-L299 HydrophobicContact CE2-CD2 4.22Å; Y164-N302 WeakPolarHBondContact OH-CB 3.45Å; Y164-N302 PolarHBondContact OH-ND2 3.21Å; Y164-N302 PolarHBondContact OH-OD1 3Å |
| 165 | I | 95.5 | Very high | 94.3 | Very high | 71 Ų | 71 | 40.5 Ų | 40.5 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -71.3 | -41.1 | -174.9 | -62.9 | -64.9 | 0 | 0 | 0 | 111.9 | W161 | W161-I165 HydrophobicContact CE3-CD1 4.39Å; W161-I165 HydrophobicContact CE3-CG1 3.99Å; W161-I165 HydrophobicContact CZ3-CD1 4.4Å; W161-I165 HydrophobicContact CZ3-CG1 4.5Å; W161-I165 WeakPolarHBondContact O-CB 3.46Å; W161-I165 WeakPolarHBondContact O-CG1 3.34Å; W161-I165 PolarHBondContact O-N 2.87Å |
| 166 | G | 94.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -79.9 | -15.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S162 L170 | S162-G166 VanDerWaalsContact O-CA 3.25Å; S162-G166 WeakPolarHBondContact O-CA 3.17Å; S162-G166 PolarHBondContact O-N 3.02Å; G166-L170 VanDerWaalsContact O-CD1 3.32Å; G166-L170 WeakPolarHBondContact O-CD1 3.46Å |
| 167 | Y | 95.5 | Very high | 94.2 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 15% | 0.153 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -141.7 | -64 | -175.6 | 178.4 | -113.4 | 0 | 0 | 0 | 113.9 | Y163 R169 L170 I171 Y240 N242 E260 | Y163-Y167 HydrophobicContact CD2-CD1 4.11Å; Y163-Y167 AromaticContact CE2-CD1 3.46Å; Y163-Y167 HydrophobicContact CE2-CD1 3.46Å; Y163-Y167 VanDerWaalsContact CE2-CD1 3.46Å; Y163-Y167 HydrophobicContact CE2-CE1 4.02Å; Y163-Y167 HydrophobicContact CE2-CG 4.33Å; Y163-Y167 AromaticContact CZ-CD1 3.74Å; Y163-Y167 WeakPolarHBondContact O-CB 3.38Å; Y163-Y167 PolarHBondContact O-N 3.16Å; Y163-Y167 VanDerWaalsContact O-N 3.12Å; Y167-R169 PolarHBondContact O-N 3.01Å; Y167-L170 WeakPolarHBondContact O-CA 3.41Å; Y167-L170 VanDerWaalsContact O-CB 3.31Å; Y167-L170 WeakPolarHBondContact O-CB 3.3Å; Y167-L170 PolarHBondContact O-N 3.2Å; Y167-I171 HydrophobicContact CD1-CG2 4.4Å; Y167-I171 HydrophobicContact CD2-CB 4.47Å; Y167-I171 HydrophobicContact CD2-CG2 4.38Å; Y167-I171 HydrophobicContact CE1-CG2 4.06Å; Y167-I171 HydrophobicContact CE2-CB 4.1Å; Y167-I171 HydrophobicContact CE2-CG1 4.14Å; Y167-I171 HydrophobicContact CE2-CG2 4.02Å; Y167-I171 WeakPolarHBondContact O-CG2 3.24Å; Y167-I171 PolarHBondContact O-N 2.99Å; Y167-Y240 AromaticContact CD2-CD1 3.98Å; Y167-Y240 HydrophobicContact CD2-CD1 3.98Å; Y167-Y240 HydrophobicContact CD2-CE1 4.26Å; Y167-Y240 HydrophobicContact CE2-CD1 4.14Å; Y167-N242 PolarHBondContact OH-ND2 3.16Å; Y167-E260 WeakPolarHBondContact CE1-OE1 3.31Å; Y167-E260 PolarHBondContact OH-OE1 3.25Å; Y167-E260 PolarHBondContact OH-OE2 3.32Å |
| 168 | L | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -60.2 | -45.7 | -172.3 | -63.9 | -177.9 | 0 | 0 | 0 | 113 | Y163 Y164 L170 I171 L172 L198 I200 L295 L299 | Y163-L168 HydrophobicContact CD1-CD1 3.79Å; Y163-L168 HydrophobicContact CD1-CG 3.96Å; Y163-L168 HydrophobicContact CE1-CD1 3.7Å; Y163-L168 HydrophobicContact CE1-CD2 3.83Å; Y163-L168 HydrophobicContact CE1-CG 3.76Å; Y163-L168 PolarHBondContact O-N 3.38Å; Y164-L168 HydrophobicContact CD2-CB 4.05Å; Y164-L168 HydrophobicContact CD2-CD1 4.45Å; Y164-L168 PolarHBondContact O-N 3.17Å; Y164-L168 VanDerWaalsContact O-N 3.16Å; L168-L170 PolarHBondContact O-N 2.7Å; L168-I171 PolarHBondContact O-N 3.11Å; L168-L172 HydrophobicContact CB-CD1 3.89Å; L168-L172 HydrophobicContact CB-CG 4.31Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 WeakPolarHBondContact O-CG 3.21Å; L168-L172 PolarHBondContact O-N 3.39Å; L168-L198 HydrophobicContact CD2-CD2 4.4Å; L168-I200 HydrophobicContact CD1-CD1 4.3Å; L168-I200 HydrophobicContact CD2-CD1 3.71Å; L168-L295 HydrophobicContact CD1-CD1 3.98Å; L168-L299 HydrophobicContact CD1-CD2 4.35Å |
| 169 | R | 93.9 | Very high | 94 | Very high | 149 Ų | 149 | 40.3 Ų | 40.3 | 56% | 0.562 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.9 | -18.4 | 176.5 | -172.1 | 173.9 | 178.7 | -173.3 | 1.9 | 112.9 | Y164 Y167 P173 | Y164-R169 HydrophobicContact CE2-CB 4.47Å; Y164-R169 VanDerWaalsContact O-CB 3.3Å; Y164-R169 WeakPolarHBondContact O-CB 3.21Å; Y164-R169 PolarHBondContact O-N 3.45Å; Y167-R169 PolarHBondContact O-N 3.01Å; R169-P173 WeakPolarHBondContact O-CD 3.29Å; R169-P173 WeakPolarHBondContact O-CG 3.42Å |
| 170 | L | 92.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -92 | -43.9 | 178.4 | -50.4 | -173.7 | 0 | 0 | 0 | 111.7 | G166 Y167 L168 Q228 R232 Y240 | G166-L170 VanDerWaalsContact O-CD1 3.32Å; G166-L170 WeakPolarHBondContact O-CD1 3.46Å; Y167-L170 WeakPolarHBondContact O-CA 3.41Å; Y167-L170 VanDerWaalsContact O-CB 3.31Å; Y167-L170 WeakPolarHBondContact O-CB 3.3Å; Y167-L170 PolarHBondContact O-N 3.2Å; L168-L170 PolarHBondContact O-N 2.7Å; L170-Q228 PolarHBondContact O-NE2 2.82Å; L170-Q228 PolarHBondContact O-OE1 3.1Å; L170-R232 VanDerWaalsContact CD2-CZ 3.43Å; L170-Y240 HydrophobicContact CD1-CE1 4.32Å; L170-Y240 WeakPolarHBondContact CD1-OH 3.28Å |
| 171 | I | 93.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -91.6 | -26 | -168.1 | -158.1 | 55 | 0 | 0 | 0 | 113.5 | Y167 L168 R178 L198 Q228 Y240 N242 | Y167-I171 HydrophobicContact CD1-CG2 4.4Å; Y167-I171 HydrophobicContact CD2-CB 4.47Å; Y167-I171 HydrophobicContact CD2-CG2 4.38Å; Y167-I171 HydrophobicContact CE1-CG2 4.06Å; Y167-I171 HydrophobicContact CE2-CB 4.1Å; Y167-I171 HydrophobicContact CE2-CG1 4.14Å; Y167-I171 HydrophobicContact CE2-CG2 4.02Å; Y167-I171 WeakPolarHBondContact O-CG2 3.24Å; Y167-I171 PolarHBondContact O-N 2.99Å; L168-I171 PolarHBondContact O-N 3.11Å; I171-R178 VanDerWaalsContact CD1-NH1 3.34Å; I171-R178 PolarHBondContact O-NH2 3.32Å; I171-L198 HydrophobicContact CG2-CD2 4.44Å; I171-Q228 HydrophobicContact CD1-CB 4.23Å; I171-Y240 VanDerWaalsContact CD1-CB 3.47Å; I171-Y240 HydrophobicContact CD1-CG 4.38Å; I171-N242 WeakPolarHBondContact CG1-OD1 3.25Å |
| 172 | L | 93.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -72.5 | -44.2 | -179.8 | -63.6 | 177.6 | 0 | 0 | 0 | 112.1 | L168 G174 L175 L198 N308 C309 | L168-L172 HydrophobicContact CB-CD1 3.89Å; L168-L172 HydrophobicContact CB-CG 4.31Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 WeakPolarHBondContact O-CG 3.21Å; L168-L172 PolarHBondContact O-N 3.39Å; L172-G174 PolarHBondContact O-N 2.9Å; L172-G174 VanDerWaalsContact O-N 3.17Å; L172-L175 HydrophobicContact CD2-CD2 4.28Å; L172-L175 VanDerWaalsContact O-CB 3.28Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 3.37Å; L172-L198 HydrophobicContact CD2-CB 4.16Å; L172-L198 HydrophobicContact CD2-CD2 3.85Å; L172-N308 HydrophobicContact CB-CB 4.46Å; L172-N308 HydrophobicContact CD2-CB 4.36Å; L172-C309 HydrophobicContact CD1-CB 4.28Å; L172-C309 HydrophobicContact CD2-CB 3.82Å |
| 173 | P | 91 | Very high | 92.4 | Very high | 70 Ų | 70 | 37.3 Ų | 37.3 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 122.3 | 170.7 | -23.2 | 35.5 | 0 | 0 | 0 | 110.6 | R169 | R169-P173 WeakPolarHBondContact O-CD 3.29Å; R169-P173 WeakPolarHBondContact O-CG 3.42Å |
| 174 | G | 89.1 | Confident | 91.8 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 0.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L172 Q176 A177 R178 | L172-G174 PolarHBondContact O-N 2.9Å; L172-G174 VanDerWaalsContact O-N 3.17Å; G174-Q176 VanDerWaalsContact C-N 3.33Å; G174-Q176 PolarHBondContact O-N 3.48Å; G174-A177 PolarHBondContact O-N 3.02Å; G174-R178 WeakPolarHBondContact O-CG 3.38Å; G174-R178 PolarHBondContact O-N 3.44Å |
| 175 | L | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.8 | -48.8 | 173.4 | 177.3 | 66.4 | 0 | 0 | 0 | 111.7 | L172 A177 R178 I179 L198 L225 N308 | L172-L175 HydrophobicContact CD2-CD2 4.28Å; L172-L175 VanDerWaalsContact O-CB 3.28Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 3.37Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3.03Å; L175-R178 VanDerWaalsContact CD1-NH2 3.33Å; L175-R178 WeakPolarHBondContact O-CB 2.95Å; L175-R178 PolarHBondContact O-N 2.92Å; L175-R178 VanDerWaalsContact O-N 3.13Å; L175-I179 HydrophobicContact CD1-CD1 4.04Å; L175-I179 HydrophobicContact CD1-CG1 4.37Å; L175-I179 HydrophobicContact CD2-CD1 4.49Å; L175-I179 HydrophobicContact CG-CD1 3.89Å; L175-I179 WeakPolarHBondContact O-CG1 3.28Å; L175-I179 PolarHBondContact O-N 2.99Å; L175-L198 HydrophobicContact CD2-CB 3.76Å; L175-L225 HydrophobicContact CD1-CD1 3.91Å; L175-N308 VanDerWaalsContact CD2-O 3.28Å; L175-N308 WeakPolarHBondContact CD2-O 3.29Å |
| 176 | Q | 89.8 | Confident | 90.1 | Very high | 81 Ų | 81 | 52 Ų | 52 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 178.8 | -65.4 | -174.6 | 0.1 | 0 | 0 | 112.2 | G174 R178 I179 Q180 N308 | G174-Q176 VanDerWaalsContact C-N 3.33Å; G174-Q176 PolarHBondContact O-N 3.48Å; Q176-R178 VanDerWaalsContact C-N 3.34Å; Q176-R178 PolarHBondContact O-N 2.89Å; Q176-I179 PolarHBondContact O-N 3.49Å; Q176-Q180 WeakPolarHBondContact O-CB 3.41Å; Q176-Q180 VanDerWaalsContact O-CG 3.26Å; Q176-Q180 WeakPolarHBondContact O-CG 3.05Å; Q176-Q180 PolarHBondContact O-N 2.91Å; Q176-N308 PolarHBondContact NE2-OD1 3.29Å |
| 177 | A | 90.4 | Very high | 89.2 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G174 L175 Q180 T181 | G174-A177 PolarHBondContact O-N 3.02Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3.03Å; A177-Q180 PolarHBondContact O-N 3.2Å; A177-T181 WeakPolarHBondContact O-CB 3.36Å; A177-T181 PolarHBondContact O-N 3.47Å; A177-T181 PolarHBondContact O-OG1 3.29Å |
| 178 | R | 91.8 | Very high | 88.1 | Confident | 21 Ų | 21 | 58.2 Ų | 58.2 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 175 | -66 | -178.2 | -63.2 | 143.6 | 0.3 | 111.7 | I171 G174 L175 Q176 T181 Y182 P226 N242 | I171-R178 VanDerWaalsContact CD1-NH1 3.34Å; I171-R178 PolarHBondContact O-NH2 3.32Å; G174-R178 WeakPolarHBondContact O-CG 3.38Å; G174-R178 PolarHBondContact O-N 3.44Å; L175-R178 VanDerWaalsContact CD1-NH2 3.33Å; L175-R178 WeakPolarHBondContact O-CB 2.95Å; L175-R178 PolarHBondContact O-N 2.92Å; L175-R178 VanDerWaalsContact O-N 3.13Å; Q176-R178 VanDerWaalsContact C-N 3.34Å; Q176-R178 PolarHBondContact O-N 2.89Å; R178-T181 PolarHBondContact O-N 3.45Å; R178-Y182 PolarHBondContact O-N 3.33Å; R178-P226 WeakPolarHBondContact CD-O 3.22Å; R178-N242 PolarHBondContact NH1-OD1 2.86Å; R178-N242 PolarHBondContact NH2-OD1 2.95Å; R178-N242 VanDerWaalsContact NH2-OD1 3.12Å |
| 179 | I | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 175.2 | -68.8 | 172.9 | 0 | 0 | 0 | 111.3 | L175 Q176 T181 Y182 N183 L190 Q196 L225 V258 | L175-I179 HydrophobicContact CD1-CD1 4.04Å; L175-I179 HydrophobicContact CD1-CG1 4.37Å; L175-I179 HydrophobicContact CD2-CD1 4.49Å; L175-I179 HydrophobicContact CG-CD1 3.89Å; L175-I179 WeakPolarHBondContact O-CG1 3.28Å; L175-I179 PolarHBondContact O-N 2.99Å; Q176-I179 PolarHBondContact O-N 3.49Å; I179-T181 PolarHBondContact O-N 3.21Å; I179-Y182 WeakPolarHBondContact O-CB 3.44Å; I179-Y182 PolarHBondContact O-N 2.88Å; I179-N183 WeakPolarHBondContact O-CB 3.49Å; I179-N183 PolarHBondContact O-N 3.39Å; I179-L190 HydrophobicContact CG1-CD1 4.44Å; I179-L190 HydrophobicContact CG2-CB 4.25Å; I179-L190 HydrophobicContact CG2-CD1 3.88Å; I179-Q196 HydrophobicContact CD1-CB 4.46Å; I179-Q196 WeakPolarHBondContact CD1-O 3.49Å; I179-Q196 HydrophobicContact CG2-CG 4.3Å; I179-L225 HydrophobicContact CG1-CD1 3.86Å; I179-L225 HydrophobicContact CG1-CD2 3.92Å; I179-V258 HydrophobicContact CD1-CG2 4.05Å; I179-V258 HydrophobicContact CG1-CG2 4.37Å |
| 180 | Q | 88.9 | Confident | 86 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 175.3 | -72.7 | 170.6 | 9.9 | 0 | 0 | 111.6 | Q176 A177 Y182 N183 Q184 | Q176-Q180 WeakPolarHBondContact O-CB 3.41Å; Q176-Q180 VanDerWaalsContact O-CG 3.26Å; Q176-Q180 WeakPolarHBondContact O-CG 3.05Å; Q176-Q180 PolarHBondContact O-N 2.91Å; A177-Q180 PolarHBondContact O-N 3.2Å; Q180-Y182 VanDerWaalsContact C-N 3.32Å; Q180-Y182 PolarHBondContact O-N 3.48Å; Q180-N183 PolarHBondContact O-N 3Å; Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 2.69Å |
| 181 | T | 89.4 | Confident | 84.6 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.2 | -56.6 | 0 | 0 | 0 | 0 | 111 | A177 R178 I179 Q184 H185 P226 | A177-T181 WeakPolarHBondContact O-CB 3.36Å; A177-T181 PolarHBondContact O-N 3.47Å; A177-T181 PolarHBondContact O-OG1 3.29Å; R178-T181 PolarHBondContact O-N 3.45Å; I179-T181 PolarHBondContact O-N 3.21Å; T181-Q184 PolarHBondContact O-N 2.88Å; T181-H185 PolarHBondContact O-ND1 2.76Å; T181-P226 HydrophobicContact CG2-CG 4.27Å |
| 182 | Y | 89.4 | Confident | 83 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 175.1 | -175 | -93.5 | 0 | 0 | 0 | 111.8 | R178 I179 Q180 Q184 H185 Y186 L189 L190 D223 L225 I244 | R178-Y182 PolarHBondContact O-N 3.33Å; I179-Y182 WeakPolarHBondContact O-CB 3.44Å; I179-Y182 PolarHBondContact O-N 2.88Å; Q180-Y182 VanDerWaalsContact C-N 3.32Å; Q180-Y182 PolarHBondContact O-N 3.48Å; Y182-Q184 VanDerWaalsContact C-N 3.28Å; Y182-Q184 PolarHBondContact O-N 3.5Å; Y182-H185 PolarHBondContact O-N 3.41Å; Y182-Y186 HydrophobicContact CD1-CD2 4.19Å; Y182-Y186 AromaticContact CD2-CD2 3.58Å; Y182-Y186 HydrophobicContact CD2-CD2 3.58Å; Y182-Y186 AromaticContact CD2-CE2 3.75Å; Y182-Y186 HydrophobicContact CD2-CE2 3.75Å; Y182-Y186 AromaticContact CE1-CD2 3.95Å; Y182-Y186 HydrophobicContact CE1-CD2 3.95Å; Y182-Y186 HydrophobicContact CE1-CG 4.18Å; Y182-Y186 AromaticContact CE2-CD2 3.3Å; Y182-Y186 HydrophobicContact CE2-CD2 3.3Å; Y182-Y186 AromaticContact CE2-CE2 3.4Å; Y182-Y186 HydrophobicContact CE2-CE2 3.4Å; Y182-Y186 VanDerWaalsContact CE2-CE2 3.4Å; Y182-Y186 HydrophobicContact CE2-CG 4.1Å; Y182-Y186 HydrophobicContact CG-CD2 4.01Å; Y182-Y186 AromaticContact CZ-CD2 3.49Å; Y182-Y186 VanDerWaalsContact CZ-CD2 3.49Å; Y182-Y186 AromaticContact CZ-CE2 3.99Å; Y182-Y186 AromaticContact CZ-CG 3.82Å; Y182-Y186 WeakPolarHBondContact O-CD2 3.45Å; Y182-Y186 PolarHBondContact O-N 3.13Å; Y182-L189 HydrophobicContact CE1-CB 4.49Å; Y182-L190 HydrophobicContact CD1-CD1 3.99Å; Y182-L190 HydrophobicContact CE1-CD1 4.5Å; Y182-D223 HydrophobicContact CE2-CB 3.97Å; Y182-D223 WeakPolarHBondContact CE2-OD2 3.46Å; Y182-D223 VanDerWaalsContact OH-CB 3.28Å; Y182-D223 WeakPolarHBondContact OH-CB 3.46Å; Y182-D223 PolarHBondContact OH-OD2 2.9Å; Y182-L225 HydrophobicContact CD2-CD2 4.5Å; Y182-L225 HydrophobicContact CG-CD2 4.15Å; Y182-I244 HydrophobicContact CD1-CD1 3.76Å; Y182-I244 HydrophobicContact CD2-CD1 3.8Å; Y182-I244 HydrophobicContact CE1-CD1 3.53Å; Y182-I244 HydrophobicContact CE2-CD1 3.58Å; Y182-I244 HydrophobicContact CG-CD1 3.9Å; Y182-I244 VanDerWaalsContact CZ-CD1 3.45Å |
| 183 | N | 87.3 | Confident | 81 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.4 | -34.6 | -178.7 | -86.4 | -24.9 | 0 | 0 | 0 | 113.7 | I179 Q180 H185 N187 N188 L189 L190 | I179-N183 WeakPolarHBondContact O-CB 3.49Å; I179-N183 PolarHBondContact O-N 3.39Å; Q180-N183 PolarHBondContact O-N 3Å; N183-H185 VanDerWaalsContact C-N 3.27Å; N183-H185 PolarHBondContact O-N 2.8Å; N183-N187 PolarHBondContact O-N 3.26Å; N183-N188 PolarHBondContact O-N 3.37Å; N183-N188 WeakPolarHBondContact OD1-CA 3.48Å; N183-L189 PolarHBondContact OD1-N 3.3Å; N183-L190 PolarHBondContact ND2-O 3.47Å; N183-L190 WeakPolarHBondContact OD1-CA 3.49Å; N183-L190 WeakPolarHBondContact OD1-CB 3.45Å; N183-L190 PolarHBondContact OD1-N 2.92Å |
| 184 | Q | 85.3 | Confident | 79.3 | Confident | 150 Ų | 150 | 62.9 Ų | 62.9 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.8 | -34.7 | 175.2 | -72.3 | 170.5 | 1.1 | 0 | 0 | 112.6 | Q180 T181 Y182 | Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 2.69Å; T181-Q184 PolarHBondContact O-N 2.88Å; Y182-Q184 VanDerWaalsContact C-N 3.28Å; Y182-Q184 PolarHBondContact O-N 3.5Å |
| 185 | H | 80.3 | Confident | 78.2 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 65% | 0.648 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -89.4 | -25.8 | -176.6 | -67.9 | 80.3 | 0 | 0 | 0 | 113 | T181 Y182 N183 | T181-H185 PolarHBondContact O-ND1 2.76Å; Y182-H185 PolarHBondContact O-N 3.41Å; N183-H185 VanDerWaalsContact C-N 3.27Å; N183-H185 PolarHBondContact O-N 2.8Å |
| 186 | Y | 77.4 | Confident | 77.5 | Confident | 111 Ų | 111 | 63.6 Ų | 63.6 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 42.6 | -171.2 | -63.8 | -79.5 | 0 | 0 | 0 | 113.3 | Y182 N188 L189 D223 | Y182-Y186 HydrophobicContact CD1-CD2 4.19Å; Y182-Y186 AromaticContact CD2-CD2 3.58Å; Y182-Y186 HydrophobicContact CD2-CD2 3.58Å; Y182-Y186 AromaticContact CD2-CE2 3.75Å; Y182-Y186 HydrophobicContact CD2-CE2 3.75Å; Y182-Y186 AromaticContact CE1-CD2 3.95Å; Y182-Y186 HydrophobicContact CE1-CD2 3.95Å; Y182-Y186 HydrophobicContact CE1-CG 4.18Å; Y182-Y186 AromaticContact CE2-CD2 3.3Å; Y182-Y186 HydrophobicContact CE2-CD2 3.3Å; Y182-Y186 AromaticContact CE2-CE2 3.4Å; Y182-Y186 HydrophobicContact CE2-CE2 3.4Å; Y182-Y186 VanDerWaalsContact CE2-CE2 3.4Å; Y182-Y186 HydrophobicContact CE2-CG 4.1Å; Y182-Y186 HydrophobicContact CG-CD2 4.01Å; Y182-Y186 AromaticContact CZ-CD2 3.49Å; Y182-Y186 VanDerWaalsContact CZ-CD2 3.49Å; Y182-Y186 AromaticContact CZ-CE2 3.99Å; Y182-Y186 AromaticContact CZ-CG 3.82Å; Y182-Y186 WeakPolarHBondContact O-CD2 3.45Å; Y182-Y186 PolarHBondContact O-N 3.13Å; Y186-N188 PolarHBondContact O-N 2.95Å; Y186-N188 VanDerWaalsContact O-N 3.07Å; Y186-L189 VanDerWaalsContact O-CG 3.22Å; Y186-L189 WeakPolarHBondContact O-CG 3.42Å; Y186-L189 PolarHBondContact O-N 2.97Å; Y186-D223 PolarHBondContact OH-OD2 3.35Å |
| 187 | N | 74.8 | Confident | 77.6 | Confident | 142 Ų | 142 | 61.5 Ų | 61.5 | 76% | 0.759 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 35.8 | 170.6 | -161.1 | 21.2 | 0 | 0 | 0 | 114.8 | N183 L189 | N183-N187 PolarHBondContact O-N 3.26Å; N187-L189 PolarHBondContact O-N 3.44Å |
| 188 | N | 72.8 | Confident | 77.8 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 44.6 | -179.1 | -48.9 | -73.7 | 0 | 0 | 0 | 115.1 | N183 Y186 L190 R191 | N183-N188 PolarHBondContact O-N 3.37Å; N183-N188 WeakPolarHBondContact OD1-CA 3.48Å; Y186-N188 PolarHBondContact O-N 2.95Å; Y186-N188 VanDerWaalsContact O-N 3.07Å; N188-L190 PolarHBondContact O-N 3.34Å; N188-R191 HydrophobicContact CB-CG 3.8Å; N188-R191 VanDerWaalsContact O-CG 3.3Å; N188-R191 WeakPolarHBondContact O-CG 3.31Å; N188-R191 PolarHBondContact O-N 3.28Å |
| 189 | L | 72.6 | Confident | 78 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 29% | 0.293 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -58.2 | -29.4 | 176 | -80.4 | 169.5 | 0 | 0 | 0 | 114.4 | Y182 N183 Y186 N187 R191 L222 R253 T256 | Y182-L189 HydrophobicContact CE1-CB 4.49Å; N183-L189 PolarHBondContact OD1-N 3.3Å; Y186-L189 VanDerWaalsContact O-CG 3.22Å; Y186-L189 WeakPolarHBondContact O-CG 3.42Å; Y186-L189 PolarHBondContact O-N 2.97Å; N187-L189 PolarHBondContact O-N 3.44Å; L189-R191 PolarHBondContact O-N 3.21Å; L189-L222 HydrophobicContact CD1-CD2 4.3Å; L189-R253 VanDerWaalsContact CD2-NH1 3.25Å; L189-T256 PolarHBondContact O-OG1 3.07Å |
| 190 | L | 72.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -96.7 | 63.7 | 171.4 | -65.5 | 165.8 | 0 | 0 | 0 | 109.2 | I179 Y182 N183 N188 L225 I244 T256 | I179-L190 HydrophobicContact CG1-CD1 4.44Å; I179-L190 HydrophobicContact CG2-CB 4.25Å; I179-L190 HydrophobicContact CG2-CD1 3.88Å; Y182-L190 HydrophobicContact CD1-CD1 3.99Å; Y182-L190 HydrophobicContact CE1-CD1 4.5Å; N183-L190 PolarHBondContact ND2-O 3.47Å; N183-L190 WeakPolarHBondContact OD1-CA 3.49Å; N183-L190 WeakPolarHBondContact OD1-CB 3.45Å; N183-L190 PolarHBondContact OD1-N 2.92Å; N188-L190 PolarHBondContact O-N 3.34Å; L190-L225 HydrophobicContact CD1-CD2 4.49Å; L190-I244 HydrophobicContact CD1-CD1 4.09Å; L190-I244 HydrophobicContact CD2-CG2 4.11Å; L190-T256 HydrophobicContact CD2-CG2 3.58Å; L190-T256 HydrophobicContact CG-CG2 4.32Å |
| 191 | R | 62.4 | Low | 78.7 | Confident | 183 Ų | 183 | 53.6 Ų | 53.6 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | trans | -79.2 | 144.9 | 176.5 | -106.7 | 170.1 | -176.4 | -167 | 4.1 | 110.9 | N188 L189 S195 | N188-R191 HydrophobicContact CB-CG 3.8Å; N188-R191 VanDerWaalsContact O-CG 3.3Å; N188-R191 WeakPolarHBondContact O-CG 3.31Å; N188-R191 PolarHBondContact O-N 3.28Å; L189-R191 PolarHBondContact O-N 3.21Å; R191-S195 PolarHBondContact O-OG 3.07Å | ||
| 192 | G | 60.1 | Low | 79.1 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 46% | 0.464 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 91.4 | 146.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V194 S195 | G192-V194 PolarHBondContact O-N 3.33Å; G192-S195 PolarHBondContact O-N 2.9Å; G192-S195 VanDerWaalsContact O-N 3.12Å |
| 193 | A | 53.7 | Low | 79.4 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -67.9 | -23.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S195 Q196 E340 | A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.39Å; A193-Q196 VanDerWaalsContact O-CB 3.29Å; A193-Q196 WeakPolarHBondContact O-CB 3.38Å; A193-Q196 PolarHBondContact O-N 3.08Å; A193-Q196 VanDerWaalsContact O-N 3.09Å; A193-E340 WeakPolarHBondContact CA-OE2 3.39Å; A193-E340 VanDerWaalsContact CB-CD 3.44Å; A193-E340 WeakPolarHBondContact CB-OE1 3.37Å; A193-E340 WeakPolarHBondContact CB-OE2 3.49Å |
| 194 | V | 54.5 | Low | 79.8 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -51.9 | -40.4 | 164.4 | -175 | 0 | 0 | 0 | 0 | 114.6 | G192 Q196 Y199 L333 E336 E337 E340 | G192-V194 PolarHBondContact O-N 3.33Å; V194-Q196 PolarHBondContact O-N 3.06Å; V194-Q196 VanDerWaalsContact O-N 3.16Å; V194-Y199 WeakPolarHBondContact CG1-OH 3.39Å; V194-Y199 PolarHBondContact O-OH 3.15Å; V194-L333 HydrophobicContact CG1-CB 3.87Å; V194-L333 HydrophobicContact CG1-CG 3.86Å; V194-L333 VanDerWaalsContact CG1-O 3.24Å; V194-L333 WeakPolarHBondContact CG1-O 3.3Å; V194-E336 HydrophobicContact CB-CG 4.46Å; V194-E336 HydrophobicContact CG1-CB 4.07Å; V194-E336 HydrophobicContact CG1-CG 4.35Å; V194-E336 HydrophobicContact CG2-CB 4.12Å; V194-E336 HydrophobicContact CG2-CG 4.1Å; V194-E337 HydrophobicContact CG2-CB 3.64Å; V194-E337 HydrophobicContact CG2-CG 4.07Å; V194-E340 PolarHBondContact N-OE2 3.44Å |
| 195 | S | 66.3 | Low | 80.1 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -79.3 | 6.5 | -178.5 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | R191 G192 A193 T256 | R191-S195 PolarHBondContact O-OG 3.07Å; G192-S195 PolarHBondContact O-N 2.9Å; G192-S195 VanDerWaalsContact O-N 3.12Å; A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.39Å; S195-T256 PolarHBondContact OG-O 3.46Å |
| 196 | Q | 78.1 | Confident | 80.8 | Confident | 47 Ų | 47 | 39.2 Ų | 39.2 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -100.7 | 0.8 | -176.2 | -55.8 | -162.1 | -2 | 0 | 0 | 114.4 | I179 A193 V194 | I179-Q196 HydrophobicContact CD1-CB 4.46Å; I179-Q196 WeakPolarHBondContact CD1-O 3.49Å; I179-Q196 HydrophobicContact CG2-CG 4.3Å; A193-Q196 VanDerWaalsContact O-CB 3.29Å; A193-Q196 WeakPolarHBondContact O-CB 3.38Å; A193-Q196 PolarHBondContact O-N 3.08Å; A193-Q196 VanDerWaalsContact O-N 3.09Å; V194-Q196 PolarHBondContact O-N 3.06Å; V194-Q196 VanDerWaalsContact O-N 3.16Å |
| 197 | R | 90.4 | Very high | 81.4 | Confident | 37 Ų | 37 | 35 Ų | 35 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -102.1 | 156.5 | 176.6 | -61.6 | -167.5 | -177.6 | 144.4 | 8.7 | 112.4 | N307 N308 E336 | R197-N307 WeakPolarHBondContact CD-O 3.49Å; R197-N307 WeakPolarHBondContact CG-O 3.5Å; R197-N307 PolarHBondContact NE-O 3.26Å; R197-N308 WeakPolarHBondContact CA-O 3.47Å; R197-E336 WeakPolarHBondContact CD-OE1 3.44Å; R197-E336 IonicContact CZ-OE1 2.69Å; R197-E336 IonicContact NE-OE1 3.94Å; R197-E336 PolarHBondContact NE-OE1 2.92Å; R197-E336 IonicContact NH1-OE1 3.82Å; R197-E336 PolarHBondContact NH1-OE1 3.43Å; R197-E336 IonicContact NH1-OE2 3.9Å; R197-E336 PolarHBondContact NH1-OE2 3.46Å; R197-E336 IonicContact NH2-OE1 3.74Å |
| 198 | L | 95.2 | Very high | 82.3 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.7 | 166.4 | 179.4 | 61.2 | 0 | 0 | 0 | 109.7 | L168 I171 L172 L175 I200 V258 E260 N308 C309 R310 | L168-L198 HydrophobicContact CD2-CD2 4.4Å; I171-L198 HydrophobicContact CG2-CD2 4.44Å; L172-L198 HydrophobicContact CD2-CB 4.16Å; L172-L198 HydrophobicContact CD2-CD2 3.85Å; L175-L198 HydrophobicContact CD2-CB 3.76Å; L198-I200 HydrophobicContact CD2-CD1 4.35Å; L198-I200 HydrophobicContact CD2-CG1 4.3Å; L198-I200 HydrophobicContact CG-CG1 4.01Å; L198-V258 HydrophobicContact CD1-CB 4.34Å; L198-V258 HydrophobicContact CD1-CG1 3.6Å; L198-E260 HydrophobicContact CD1-CG 3.91Å; L198-E260 WeakPolarHBondContact CD2-OE1 3.39Å; L198-E260 HydrophobicContact CG-CG 4.45Å; L198-N308 PolarHBondContact N-O 3.47Å; L198-C309 HydrophobicContact CB-CB 4.14Å; L198-C309 CarbonylContact O-C 3.46Å; L198-C309 WeakPolarHBondContact O-CA 3.37Å; L198-C309 WeakPolarHBondContact O-CB 3.18Å; L198-R310 PolarHBondContact O-N 3.07Å |
| 199 | Y | 95.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 121.7 | 173.6 | -66.1 | -84.8 | 0 | 0 | 0 | 109.7 | V194 C257 V258 L259 E260 R310 I312 L333 E336 | V194-Y199 WeakPolarHBondContact CG1-OH 3.39Å; V194-Y199 PolarHBondContact O-OH 3.15Å; Y199-C257 HydrophobicContact CD2-CB 3.72Å; Y199-C257 HydrophobicContact CE2-CB 3.89Å; Y199-V258 PolarHBondContact N-O 2.98Å; Y199-L259 WeakPolarHBondContact O-CA 3.33Å; Y199-E260 PolarHBondContact O-N 3.45Å; Y199-R310 HydrophobicContact CD1-CB 3.72Å; Y199-R310 HydrophobicContact CD1-CG 4.22Å; Y199-R310 HydrophobicContact CE1-CB 3.83Å; Y199-R310 HydrophobicContact CE1-CG 4.14Å; Y199-I312 HydrophobicContact CD1-CD1 3.83Å; Y199-I312 HydrophobicContact CD1-CG1 4.41Å; Y199-I312 HydrophobicContact CG-CD1 4.4Å; Y199-L333 HydrophobicContact CD1-CD1 4.31Å; Y199-L333 HydrophobicContact CD2-CD1 4.25Å; Y199-L333 HydrophobicContact CE1-CD1 3.86Å; Y199-L333 HydrophobicContact CE2-CD1 3.76Å; Y199-L333 HydrophobicContact CE2-CG 4.29Å; Y199-L333 HydrophobicContact CG-CD1 4.48Å; Y199-E336 PolarHBondContact OH-OE2 3.38Å |
| 200 | I | 97.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121.5 | -177.4 | -54.6 | 172.8 | 0 | 0 | 0 | 107.8 | Y163 L168 L198 L202 E260 A262 C309 R310 L311 I312 | Y163-I200 HydrophobicContact CE1-CD1 4.36Å; L168-I200 HydrophobicContact CD1-CD1 4.3Å; L168-I200 HydrophobicContact CD2-CD1 3.71Å; L198-I200 HydrophobicContact CD2-CD1 4.35Å; L198-I200 HydrophobicContact CD2-CG1 4.3Å; L198-I200 HydrophobicContact CG-CG1 4.01Å; I200-L202 HydrophobicContact CB-CD1 4.47Å; I200-L202 HydrophobicContact CG2-CD1 4.2Å; I200-L202 WeakPolarHBondContact O-CD1 3.5Å; I200-E260 CarbonylContact C-O 3.57Å; I200-E260 WeakPolarHBondContact CA-O 3.27Å; I200-E260 HydrophobicContact CG1-CG 4.44Å; I200-A262 HydrophobicContact CG2-CB 3.86Å; I200-C309 HydrophobicContact CD1-CB 4.27Å; I200-R310 PolarHBondContact N-O 3.36Å; I200-L311 HydrophobicContact CB-CD2 4.14Å; I200-L311 HydrophobicContact CD1-CD2 4.09Å; I200-I312 PolarHBondContact O-N 3.14Å |
| 201 | L | 97.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 129.1 | 178.1 | -62.5 | 177.2 | 0 | 0 | 0 | 110.6 | P203 L212 L259 E260 Y261 A262 I312 Y314 L325 V329 | L201-P203 WeakPolarHBondContact O-CD 3.46Å; L201-L212 HydrophobicContact CD1-CD2 3.54Å; L201-L259 HydrophobicContact CD1-CD1 4.12Å; L201-L259 HydrophobicContact CD1-CD2 4.16Å; L201-L259 HydrophobicContact CD1-CG 4.05Å; L201-L259 HydrophobicContact CD2-CD1 3.87Å; L201-L259 HydrophobicContact CG-CD1 3.78Å; L201-L259 HydrophobicContact CG-CG 4.23Å; L201-E260 PolarHBondContact N-O 3.01Å; L201-Y261 HydrophobicContact CB-CD1 3.61Å; L201-Y261 HydrophobicContact CB-CE1 3.87Å; L201-Y261 HydrophobicContact CB-CG 4.31Å; L201-Y261 HydrophobicContact CD1-CD1 4.17Å; L201-Y261 HydrophobicContact CD1-CE1 3.87Å; L201-Y261 HydrophobicContact CD1-CE2 4.39Å; L201-A262 PolarHBondContact O-N 3.35Å; L201-I312 HydrophobicContact CD2-CB 4.06Å; L201-I312 HydrophobicContact CD2-CD1 4.24Å; L201-I312 HydrophobicContact CD2-CG2 4.15Å; L201-Y314 HydrophobicContact CB-CE1 4.16Å; L201-Y314 HydrophobicContact CD2-CE1 4.15Å; L201-L325 HydrophobicContact CD1-CD1 4.32Å; L201-L325 HydrophobicContact CD1-CD2 4.03Å; L201-L325 HydrophobicContact CD2-CD1 3.98Å; L201-V329 HydrophobicContact CD2-CG2 3.87Å |
| 202 | L | 97.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 78.2 | 179.6 | -58.1 | 96.5 | 0 | 0 | 0 | 110.7 | I200 L204 A262 L265 F291 C292 L295 L311 I312 V313 Y314 | I200-L202 HydrophobicContact CB-CD1 4.47Å; I200-L202 HydrophobicContact CG2-CD1 4.2Å; I200-L202 WeakPolarHBondContact O-CD1 3.5Å; L202-L204 PolarHBondContact O-N 3.45Å; L202-A262 HydrophobicContact CD2-CB 4.38Å; L202-A262 HydrophobicContact CG-CB 4.14Å; L202-L265 HydrophobicContact CB-CD1 4.08Å; L202-F291 HydrophobicContact CD2-CD1 4.19Å; L202-F291 HydrophobicContact CD2-CE1 3.7Å; L202-C292 HydrophobicContact CD2-CB 4.35Å; L202-C292 VanDerWaalsContact CD2-SG 3.53Å; L202-L295 HydrophobicContact CD2-CD2 4.38Å; L202-L311 HydrophobicContact CD1-CB 3.79Å; L202-L311 HydrophobicContact CD1-CD2 4.01Å; L202-L311 HydrophobicContact CD1-CG 4.4Å; L202-I312 PolarHBondContact N-O 3.34Å; L202-V313 HydrophobicContact CB-CB 4.49Å; L202-V313 HydrophobicContact CB-CG2 4.05Å; L202-V313 HydrophobicContact CD1-CG2 4.17Å; L202-Y314 PolarHBondContact O-N 3.33Å |
| 203 | P | 95.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 119.7 | 173.9 | 28.6 | -36.2 | 0 | 0 | 0 | 110.8 | L201 D205 C206 G207 V208 Y261 L265 Y314 | L201-P203 WeakPolarHBondContact O-CD 3.46Å; P203-D205 WeakPolarHBondContact CB-OD1 3.39Å; P203-D205 PolarHBondContact O-N 2.97Å; P203-C206 WeakPolarHBondContact O-CA 3.38Å; P203-C206 PolarHBondContact O-N 3.42Å; P203-G207 WeakPolarHBondContact CG-O 3.41Å; P203-V208 HydrophobicContact CG-CG2 4.19Å; P203-Y261 HydrophobicContact CG-CD1 4.06Å; P203-Y261 HydrophobicContact CG-CE1 4Å; P203-L265 HydrophobicContact CG-CD1 4.17Å; P203-Y314 HydrophobicContact CB-CD2 4.47Å; P203-Y314 HydrophobicContact CB-CE1 4.29Å; P203-Y314 HydrophobicContact CB-CE2 3.73Å |
| 204 | L | 94.4 | Very high | 90 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 15% | 0.147 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -17.7 | -175.6 | -68 | 180 | 0 | 0 | 0 | 113.9 | L202 C206 L285 K289 V313 Y314 | L202-L204 PolarHBondContact O-N 3.45Å; L204-C206 PolarHBondContact O-N 2.98Å; L204-L285 HydrophobicContact CB-CD1 4.05Å; L204-L285 WeakPolarHBondContact O-CD1 3.42Å; L204-K289 HydrophobicContact CD2-CG 4.18Å; L204-V313 HydrophobicContact CD1-CG1 4.07Å; L204-V313 HydrophobicContact CD2-CG1 3.65Å; L204-V313 HydrophobicContact CG-CG1 3.77Å; L204-Y314 PolarHBondContact N-O 2.96Å |
| 205 | D | 91.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 21% | 0.214 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.8 | 170.3 | 69.5 | -15 | 0 | 0 | 0 | 112.8 | P203 G207 R284 E316 | P203-D205 WeakPolarHBondContact CB-OD1 3.39Å; P203-D205 PolarHBondContact O-N 2.97Å; D205-G207 PolarHBondContact O-N 3.47Å; D205-G207 PolarHBondContact OD1-N 3.22Å; D205-R284 PolarHBondContact O-NE 3.32Å; D205-R284 PolarHBondContact O-NH2 3.22Å; D205-E316 HydrophobicContact CB-CB 3.92Å; D205-E316 HydrophobicContact CB-CG 3.91Å |
| 206 | C | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | 63.6 | 17.6 | -172.3 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | P203 L204 V208 L265 F269 R284 | P203-C206 WeakPolarHBondContact O-CA 3.38Å; P203-C206 PolarHBondContact O-N 3.42Å; L204-C206 PolarHBondContact O-N 2.98Å; C206-V208 PolarHBondContact O-N 3.15Å; C206-V208 VanDerWaalsContact O-N 3.17Å; C206-L265 HydrophobicContact CB-CB 4.32Å; C206-L265 WeakPolarHBondContact CB-O 3.37Å; C206-F269 HydrophobicContact CB-CB 3.9Å; C206-F269 HydrophobicContact CB-CD2 4.36Å; C206-F269 WeakPolarHBondContact O-CB 3.24Å; C206-R284 HydrophobicContact CB-CG 4.29Å | ||
| 207 | G | 90.5 | Very high | 93.7 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 25% | 0.247 | 21% | 0.208 | C | C | . | . | trans | -72.9 | 101.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P203 D205 P209 | P203-G207 WeakPolarHBondContact CG-O 3.41Å; D205-G207 PolarHBondContact O-N 3.47Å; D205-G207 PolarHBondContact OD1-N 3.22Å; G207-P209 VanDerWaalsContact O-CD 3.32Å; G207-P209 WeakPolarHBondContact O-CD 3.19Å | ||
| 208 | V | 93.6 | Very high | 94 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | trans | -113.3 | 92 | -179.8 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | P203 C206 Y261 L265 Q266 | P203-V208 HydrophobicContact CG-CG2 4.19Å; C206-V208 PolarHBondContact O-N 3.15Å; C206-V208 VanDerWaalsContact O-N 3.17Å; V208-Y261 HydrophobicContact CG1-CD1 4.19Å; V208-Y261 HydrophobicContact CG1-CD2 3.98Å; V208-Y261 HydrophobicContact CG1-CG 3.68Å; V208-Y261 HydrophobicContact CG2-CD1 4.43Å; V208-L265 HydrophobicContact CG2-CB 3.9Å; V208-Q266 HydrophobicContact CB-CB 4.2Å; V208-Q266 HydrophobicContact CG2-CB 4.41Å | ||
| 209 | P | 92.3 | Very high | 94 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | trans | -70.6 | 147.2 | 175.2 | 28.3 | -32.8 | 0 | 0 | 0 | 111.2 | G207 N211 A215 Y261 | G207-P209 VanDerWaalsContact O-CD 3.32Å; G207-P209 WeakPolarHBondContact O-CD 3.19Å; P209-N211 PolarHBondContact O-N 3.16Å; P209-A215 HydrophobicContact CG-CB 3.79Å; P209-Y261 HydrophobicContact CG-CE2 3.92Å; P209-Y261 WeakPolarHBondContact CG-OH 3.39Å | ||
| 210 | D | 92.8 | Very high | 94 | Very high | 148 Ų | 148 | 42.5 Ų | 42.5 | 79% | 0.791 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -70.2 | -20.1 | -178.6 | -60.3 | -38.8 | 0 | 0 | 0 | 113.3 | ||
| 211 | N | 92.9 | Very high | 93.9 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | trans | -130.1 | 115.8 | -178.9 | -173.1 | -17.6 | 0 | 0 | 0 | 110.9 | P209 S213 M214 A215 | P209-N211 PolarHBondContact O-N 3.16Å; N211-S213 PolarHBondContact O-N 3.49Å; N211-S213 WeakPolarHBondContact OD1-CB 3.32Å; N211-S213 PolarHBondContact OD1-N 3.34Å; N211-M214 HydrophobicContact CB-CB 4.38Å; N211-M214 HydrophobicContact CB-CE 3.69Å; N211-M214 HydrophobicContact CB-CG 3.91Å; N211-M214 HydrophobicContact CB-SD 4.38Å; N211-M214 WeakPolarHBondContact O-CB 3.43Å; N211-M214 PolarHBondContact O-N 3.26Å; N211-A215 PolarHBondContact O-N 3.05Å | ||
| 212 | L | 94 | Very high | 93.6 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.5 | -31 | 177.9 | -84 | 166.3 | 0 | 0 | 0 | 113.4 | L201 M214 A215 D216 I219 Y245 L259 Y261 L325 | L201-L212 HydrophobicContact CD1-CD2 3.54Å; L212-M214 PolarHBondContact O-N 3.46Å; L212-A215 WeakPolarHBondContact O-CB 3.18Å; L212-A215 PolarHBondContact O-N 2.83Å; L212-A215 VanDerWaalsContact O-N 3.11Å; L212-D216 PolarHBondContact O-N 3.12Å; L212-D216 VanDerWaalsContact O-N 3.09Å; L212-I219 HydrophobicContact CB-CG2 4.03Å; L212-Y245 HydrophobicContact CB-CD1 4.42Å; L212-Y245 HydrophobicContact CB-CE1 3.82Å; L212-Y245 HydrophobicContact CD1-CD1 4.49Å; L212-Y245 HydrophobicContact CD1-CD2 4.17Å; L212-Y245 HydrophobicContact CD1-CE1 3.97Å; L212-Y245 HydrophobicContact CD1-CE2 3.56Å; L212-Y245 VanDerWaalsContact CD1-CZ 3.46Å; L212-L259 HydrophobicContact CD1-CB 4.44Å; L212-L259 HydrophobicContact CD1-CD2 4.02Å; L212-L259 HydrophobicContact CD1-CG 4.1Å; L212-L259 HydrophobicContact CD2-CD2 4.47Å; L212-Y261 HydrophobicContact CD2-CD2 4.08Å; L212-Y261 HydrophobicContact CD2-CE2 3.26Å; L212-Y261 HydrophobicContact CG-CD2 4.3Å; L212-Y261 HydrophobicContact CG-CE2 3.76Å; L212-L325 HydrophobicContact CD2-CD2 4.13Å |
| 213 | S | 92.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.1 | -19.3 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | N211 I219 | N211-S213 PolarHBondContact O-N 3.49Å; N211-S213 WeakPolarHBondContact OD1-CB 3.32Å; N211-S213 PolarHBondContact OD1-N 3.34Å; S213-I219 VanDerWaalsContact CA-O 3.26Å; S213-I219 WeakPolarHBondContact CA-O 3.43Å; S213-I219 WeakPolarHBondContact CB-O 3.37Å; S213-I219 PolarHBondContact OG-O 2.99Å |
| 214 | M | 90.4 | Very high | 93.3 | Very high | 136 Ų | 136 | 57 Ų | 57 | 67% | 0.67 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -80.9 | -28.2 | 169.3 | -63.5 | -166.5 | -58.8 | 0 | 0 | 111.9 | N211 L212 | N211-M214 HydrophobicContact CB-CB 4.38Å; N211-M214 HydrophobicContact CB-CE 3.69Å; N211-M214 HydrophobicContact CB-CG 3.91Å; N211-M214 HydrophobicContact CB-SD 4.38Å; N211-M214 WeakPolarHBondContact O-CB 3.43Å; N211-M214 PolarHBondContact O-N 3.26Å; L212-M214 PolarHBondContact O-N 3.46Å |
| 215 | A | 90.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.4 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P209 N211 L212 L325 | P209-A215 HydrophobicContact CG-CB 3.79Å; N211-A215 PolarHBondContact O-N 3.05Å; L212-A215 WeakPolarHBondContact O-CB 3.18Å; L212-A215 PolarHBondContact O-N 2.83Å; L212-A215 VanDerWaalsContact O-N 3.11Å; A215-L325 HydrophobicContact CB-CD2 4.25Å |
| 216 | D | 93.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 56 Ų | 56 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | trans | -148.6 | 117.5 | 173.2 | -174 | -23.5 | 0 | 0 | 0 | 109.2 | L212 N218 I219 S324 L325 S326 | L212-D216 PolarHBondContact O-N 3.12Å; L212-D216 VanDerWaalsContact O-N 3.09Å; D216-N218 PolarHBondContact O-N 3.07Å; D216-N218 VanDerWaalsContact OD1-CB 3.28Å; D216-N218 WeakPolarHBondContact OD1-CB 3.44Å; D216-N218 PolarHBondContact OD1-N 3.44Å; D216-N218 PolarHBondContact OD1-ND2 2.87Å; D216-I219 HydrophobicContact CB-CD1 3.96Å; D216-I219 HydrophobicContact CB-CG1 4.02Å; D216-I219 WeakPolarHBondContact O-CB 3.49Å; D216-I219 PolarHBondContact O-N 3.01Å; D216-S324 PolarHBondContact OD2-OG 3.35Å; D216-L325 HydrophobicContact CB-CB 4.11Å; D216-L325 PolarHBondContact OD2-N 2.92Å; D216-S326 WeakPolarHBondContact OD2-CB 3.45Å; D216-S326 PolarHBondContact OD2-N 3.44Å; D216-S326 PolarHBondContact OD2-OG 2.66Å | ||
| 217 | P | 93.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -17.3 | 179.5 | -25.5 | 34.3 | 0 | 0 | 0 | 115.1 | I219 | P217-I219 VanDerWaalsContact C-N 3.25Š|
| 218 | N | 95.8 | Very high | 93 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -7.1 | 175 | -59.3 | -61.1 | 0 | 0 | 0 | 112.8 | D216 L247 L248 S326 | D216-N218 PolarHBondContact O-N 3.07Å; D216-N218 VanDerWaalsContact OD1-CB 3.28Å; D216-N218 WeakPolarHBondContact OD1-CB 3.44Å; D216-N218 PolarHBondContact OD1-N 3.44Å; D216-N218 PolarHBondContact OD1-ND2 2.87Å; N218-L247 WeakPolarHBondContact O-CA 3.29Å; N218-L248 HydrophobicContact CB-CB 4.09Å; N218-L248 PolarHBondContact O-N 3.34Å; N218-S326 WeakPolarHBondContact CB-OG 3.47Å |
| 219 | I | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108.6 | 172 | -54.1 | 178.9 | 0 | 0 | 0 | 107.8 | L212 S213 D216 P217 Y245 L247 L259 L325 | L212-I219 HydrophobicContact CB-CG2 4.03Å; S213-I219 VanDerWaalsContact CA-O 3.26Å; S213-I219 WeakPolarHBondContact CA-O 3.43Å; S213-I219 WeakPolarHBondContact CB-O 3.37Å; S213-I219 PolarHBondContact OG-O 2.99Å; D216-I219 HydrophobicContact CB-CD1 3.96Å; D216-I219 HydrophobicContact CB-CG1 4.02Å; D216-I219 WeakPolarHBondContact O-CB 3.49Å; D216-I219 PolarHBondContact O-N 3.01Å; P217-I219 VanDerWaalsContact C-N 3.25Å; I219-Y245 HydrophobicContact CG2-CD1 3.62Å; I219-Y245 HydrophobicContact CG2-CE1 4.4Å; I219-Y245 HydrophobicContact CG2-CG 3.96Å; I219-L247 HydrophobicContact CB-CD2 4.35Å; I219-L247 HydrophobicContact CD1-CD2 4.5Å; I219-L247 HydrophobicContact CG1-CD2 3.82Å; I219-L247 HydrophobicContact CG2-CD2 4.16Å; I219-L259 HydrophobicContact CG2-CD2 4.28Å; I219-L325 HydrophobicContact CD1-CB 4.09Å; I219-L325 HydrophobicContact CD1-CD2 3.73Å; I219-L325 HydrophobicContact CD1-CG 3.7Å |
| 220 | R | 95.8 | Very high | 93 | Very high | 127 Ų | 127 | 64.9 Ų | 64.9 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.4 | -177.7 | -62 | -179.4 | 177.2 | 172.6 | 1.2 | 110.9 | L222 Y245 E246 L248 | R220-L222 PolarHBondContact O-N 3.27Å; R220-Y245 CarbonylContact O-C 3.55Å; R220-Y245 VanDerWaalsContact O-CA 3.26Å; R220-Y245 WeakPolarHBondContact O-CA 3.48Å; R220-E246 HydrophobicContact CB-CG 3.65Å; R220-E246 WeakPolarHBondContact CD-OE1 3.44Å; R220-E246 PolarHBondContact N-O 3.06Å; R220-E246 PolarHBondContact O-N 3.47Å; R220-L248 HydrophobicContact CG-CD1 4.45Å |
| 221 | F | 95.6 | Very high | 93.1 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 128 | 173.1 | 174.2 | -97.5 | 0 | 0 | 0 | 109.7 | D223 K224 Y245 | F221-D223 VanDerWaalsContact CE2-O 3.28Å; F221-D223 WeakPolarHBondContact CE2-O 3.36Å; F221-D223 VanDerWaalsContact CZ-C 3.48Å; F221-K224 HydrophobicContact CE2-CG 4.18Å; F221-K224 HydrophobicContact CZ-CG 4.02Å; F221-Y245 HydrophobicContact CB-CD1 4.24Å; F221-Y245 HydrophobicContact CB-CE1 3.91Å; F221-Y245 HydrophobicContact CD2-CE1 4.27Å |
| 222 | L | 92.1 | Very high | 93 | Very high | 50 Ų | 50 | 63.8 Ų | 63.8 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -57.7 | 179.6 | -175.9 | 66 | 0 | 0 | 0 | 110.5 | L189 R220 I244 T256 | L189-L222 HydrophobicContact CD1-CD2 4.3Å; R220-L222 PolarHBondContact O-N 3.27Å; L222-I244 HydrophobicContact CB-CG2 4.32Å; L222-I244 WeakPolarHBondContact CB-O 3.4Å; L222-I244 HydrophobicContact CD2-CG2 3.99Å; L222-I244 PolarHBondContact N-O 3.11Å; L222-T256 HydrophobicContact CD2-CG2 3.8Å |
| 223 | D | 92.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 68.4 Ų | 68.4 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | -179 | -177.6 | -154.6 | -7 | 0 | 0 | 0 | 111.8 | Y182 Y186 F221 I244 | Y182-D223 HydrophobicContact CE2-CB 3.97Å; Y182-D223 WeakPolarHBondContact CE2-OD2 3.46Å; Y182-D223 VanDerWaalsContact OH-CB 3.28Å; Y182-D223 WeakPolarHBondContact OH-CB 3.46Å; Y182-D223 PolarHBondContact OH-OD2 2.9Å; Y186-D223 PolarHBondContact OH-OD2 3.35Å; F221-D223 VanDerWaalsContact CE2-O 3.28Å; F221-D223 WeakPolarHBondContact CE2-O 3.36Å; F221-D223 VanDerWaalsContact CZ-C 3.48Å; D223-I244 PolarHBondContact N-O 2.95Å; D223-I244 WeakPolarHBondContact O-CB 3.35Å; D223-I244 PolarHBondContact O-N 3.42Å |
| 224 | K | 93.3 | Very high | 93 | Very high | 114 Ų | 114 | 70.7 Ų | 70.7 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143.5 | 170.3 | -65.1 | 179.8 | -177.1 | 179.3 | 0 | 111.1 | F221 | F221-K224 HydrophobicContact CE2-CG 4.18Å; F221-K224 HydrophobicContact CZ-CG 4.02Å |
| 225 | L | 92.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 153.8 | 166.8 | -81.9 | 177.2 | 0 | 0 | 0 | 111.1 | L175 I179 Y182 L190 Q227 N242 I244 V258 | L175-L225 HydrophobicContact CD1-CD1 3.91Å; I179-L225 HydrophobicContact CG1-CD1 3.86Å; I179-L225 HydrophobicContact CG1-CD2 3.92Å; Y182-L225 HydrophobicContact CD2-CD2 4.5Å; Y182-L225 HydrophobicContact CG-CD2 4.15Å; L190-L225 HydrophobicContact CD1-CD2 4.49Å; L225-Q227 PolarHBondContact O-N 2.78Å; L225-N242 HydrophobicContact CD1-CB 4.15Å; L225-N242 PolarHBondContact N-O 3.48Å; L225-I244 HydrophobicContact CD2-CD1 3.84Å; L225-I244 HydrophobicContact CD2-CG1 4.33Å; L225-I244 HydrophobicContact CG-CD1 3.98Å; L225-I244 HydrophobicContact CG-CG1 3.98Å; L225-V258 HydrophobicContact CD1-CB 4.47Å; L225-V258 HydrophobicContact CD1-CG1 3.94Å; L225-V258 HydrophobicContact CD1-CG2 3.62Å; L225-V258 HydrophobicContact CG-CG2 4.35Å |
| 226 | P | 91.6 | Very high | 93.5 | Very high | 45 Ų | 45 | 73.3 Ų | 73.3 | 29% | 0.292 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 135.3 | 170.6 | -27.7 | 35.2 | 0 | 0 | 0 | 111.4 | R178 T181 | R178-P226 WeakPolarHBondContact CD-O 3.22Å; T181-P226 HydrophobicContact CG2-CG 4.27Å |
| 227 | Q | 91.8 | Very high | 93.5 | Very high | 123 Ų | 123 | 78.1 Ų | 78.1 | 58% | 0.575 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 147.3 | -174.3 | -67.5 | -179.3 | -7.3 | 0 | 0 | 111.2 | L225 V239 | L225-Q227 PolarHBondContact O-N 2.78Å; Q227-V239 HydrophobicContact CB-CG1 4.05Å; Q227-V239 VanDerWaalsContact CD-CG1 3.5Å; Q227-V239 HydrophobicContact CG-CG1 3.89Å |
| 228 | Q | 90.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 78.7 Ų | 78.7 | 23% | 0.229 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.1 | 167 | -178.5 | 177.7 | -10.7 | 0 | 0 | 108.3 | L170 I171 Y240 | L170-Q228 PolarHBondContact O-NE2 2.82Å; L170-Q228 PolarHBondContact O-OE1 3.1Å; I171-Q228 HydrophobicContact CD1-CB 4.23Å; Q228-Y240 PolarHBondContact N-O 3.28Å; Q228-Y240 PolarHBondContact O-N 3.1Å |
| 229 | T | 92.2 | Very high | 93.5 | Very high | 79 Ų | 79 | 79.5 Ų | 79.5 | 49% | 0.485 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144 | 176.9 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | R238 V239 | T229-R238 WeakPolarHBondContact CA-O 3.45Å; T229-V239 HydrophobicContact CG2-CG2 4.06Å |
| 230 | A | 92.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 80.3 Ų | 80.3 | 24% | 0.24 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 145.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R232 R238 | A230-R232 HydrophobicContact CB-CG 4.42Å; A230-R232 PolarHBondContact O-N 2.93Å; A230-R238 PolarHBondContact N-O 3.21Å; A230-R238 WeakPolarHBondContact O-CB 3.42Å; A230-R238 PolarHBondContact O-N 3.18Å |
| 231 | D | 94.8 | Very high | 93.2 | Very high | 80 Ų | 80 | 76.2 Ų | 76.2 | 43% | 0.428 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125 | 169.7 | -71.4 | -7.9 | 0 | 0 | 0 | 110.4 | I235 K236 D237 | D231-I235 CarbonylContact C-O 3.6Å; D231-I235 WeakPolarHBondContact CA-O 3.4Å; D231-K236 HydrophobicContact CB-CD 4.42Å; D231-K236 VanDerWaalsContact CG-CD 3.42Å; D231-K236 VanDerWaalsContact OD1-CA 3.31Å; D231-K236 WeakPolarHBondContact OD1-CA 3.25Å; D231-K236 WeakPolarHBondContact OD1-CD 3.07Å; D231-K236 WeakPolarHBondContact OD2-CD 3.49Å; D231-K236 WeakPolarHBondContact OD2-CE 3.36Å; D231-K236 IonicContact OD2-NZ 2.67Å; D231-K236 PolarHBondContact OD2-NZ 2.97Å; D231-D237 PolarHBondContact OD1-N 3.24Å |
| 232 | R | 91.8 | Very high | 93.2 | Very high | 114 Ų | 114 | 71.6 Ų | 71.6 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 131 | -176.6 | -71.9 | -69.3 | 172.8 | 162.5 | -8.7 | 112.4 | L170 A230 G234 I235 | L170-R232 VanDerWaalsContact CD2-CZ 3.43Å; A230-R232 HydrophobicContact CB-CG 4.42Å; A230-R232 PolarHBondContact O-N 2.93Å; R232-G234 PolarHBondContact O-N 3.49Å; R232-G234 VanDerWaalsContact O-N 3.16Å; R232-I235 PolarHBondContact N-O 3.32Å; R232-I235 WeakPolarHBondContact O-CB 3.37Å; R232-I235 PolarHBondContact O-N 3.45Å |
| 233 | A | 92.7 | Very high | 93.3 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 85% | 0.851 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I235 | A233-I235 VanDerWaalsContact C-N 3.28Å; A233-I235 PolarHBondContact O-N 3.16Å |
| 234 | G | 94.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 87% | 0.866 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -2.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R232 | R232-G234 PolarHBondContact O-N 3.49Å; R232-G234 VanDerWaalsContact O-N 3.16Å |
| 235 | I | 95.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 64.3 Ų | 64.3 | 46% | 0.456 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.6 | 173.9 | -53.6 | 175.6 | 0 | 0 | 0 | 108.5 | D231 R232 A233 R238 | D231-I235 CarbonylContact C-O 3.6Å; D231-I235 WeakPolarHBondContact CA-O 3.4Å; R232-I235 PolarHBondContact N-O 3.32Å; R232-I235 WeakPolarHBondContact O-CB 3.37Å; R232-I235 PolarHBondContact O-N 3.45Å; A233-I235 VanDerWaalsContact C-N 3.28Å; A233-I235 PolarHBondContact O-N 3.16Å; I235-R238 HydrophobicContact CG2-CB 4.15Å |
| 236 | K | 95.1 | Very high | 93.5 | Very high | 148 Ų | 148 | 65.5 Ų | 65.5 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 141.7 | 173.4 | -66.9 | -62.3 | -173.8 | 169.7 | 0 | 111 | D231 R238 | D231-K236 HydrophobicContact CB-CD 4.42Å; D231-K236 VanDerWaalsContact CG-CD 3.42Å; D231-K236 VanDerWaalsContact OD1-CA 3.31Å; D231-K236 WeakPolarHBondContact OD1-CA 3.25Å; D231-K236 WeakPolarHBondContact OD1-CD 3.07Å; D231-K236 WeakPolarHBondContact OD2-CD 3.49Å; D231-K236 WeakPolarHBondContact OD2-CE 3.36Å; D231-K236 IonicContact OD2-NZ 2.67Å; D231-K236 PolarHBondContact OD2-NZ 2.97Å; K236-R238 VanDerWaalsContact C-N 3.27Å; K236-R238 PolarHBondContact O-N 3.16Å |
| 237 | D | 93.4 | Very high | 93.6 | Very high | 111 Ų | 111 | 63.4 Ų | 63.4 | 59% | 0.594 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 43.2 | 175.3 | -61.6 | -52.5 | 0 | 0 | 0 | 113.8 | D231 V239 | D231-D237 PolarHBondContact OD1-N 3.24Å; D237-V239 PolarHBondContact O-N 3.2Å; D237-V239 VanDerWaalsContact O-N 3.14Å |
| 238 | R | 95.3 | Very high | 93.7 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 40% | 0.404 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 121.5 | 177.5 | -174.3 | 175.1 | 179.2 | 162.3 | 0.1 | 109.4 | T229 A230 I235 K236 Y240 | T229-R238 WeakPolarHBondContact CA-O 3.45Å; A230-R238 PolarHBondContact N-O 3.21Å; A230-R238 WeakPolarHBondContact O-CB 3.42Å; A230-R238 PolarHBondContact O-N 3.18Å; I235-R238 HydrophobicContact CG2-CB 4.15Å; K236-R238 VanDerWaalsContact C-N 3.27Å; K236-R238 PolarHBondContact O-N 3.16Å; R238-Y240 HydrophobicContact CB-CE2 4.4Å; R238-Y240 HydrophobicContact CG-CE2 4.15Å |
| 239 | V | 93.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 58.3 Ų | 58.3 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.6 | -176.1 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | Q227 T229 D237 | Q227-V239 HydrophobicContact CB-CG1 4.05Å; Q227-V239 VanDerWaalsContact CD-CG1 3.5Å; Q227-V239 HydrophobicContact CG-CG1 3.89Å; T229-V239 HydrophobicContact CG2-CG2 4.06Å; D237-V239 PolarHBondContact O-N 3.2Å; D237-V239 VanDerWaalsContact O-N 3.14Å |
| 240 | Y | 93.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 62.2 Ų | 62.2 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133 | 167.8 | -58 | -91.8 | 0 | 0 | 0 | 109.1 | Y167 L170 I171 Q228 R238 | Y167-Y240 AromaticContact CD2-CD1 3.98Å; Y167-Y240 HydrophobicContact CD2-CD1 3.98Å; Y167-Y240 HydrophobicContact CD2-CE1 4.26Å; Y167-Y240 HydrophobicContact CE2-CD1 4.14Å; L170-Y240 HydrophobicContact CD1-CE1 4.32Å; L170-Y240 WeakPolarHBondContact CD1-OH 3.28Å; I171-Y240 VanDerWaalsContact CD1-CB 3.47Å; I171-Y240 HydrophobicContact CD1-CG 4.38Å; Q228-Y240 PolarHBondContact N-O 3.28Å; Q228-Y240 PolarHBondContact O-N 3.1Å; R238-Y240 HydrophobicContact CB-CE2 4.4Å; R238-Y240 HydrophobicContact CG-CE2 4.15Å |
| 241 | S | 91.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | trans | -142.4 | 141.7 | -176.2 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 242 | N | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | trans | -116.9 | 150 | 174.1 | -54.8 | 103 | 0 | 0 | 0 | 108.6 | Y167 I171 R178 L225 V258 E260 | Y167-N242 PolarHBondContact OH-ND2 3.16Å; I171-N242 WeakPolarHBondContact CG1-OD1 3.25Å; R178-N242 PolarHBondContact NH1-OD1 2.86Å; R178-N242 PolarHBondContact NH2-OD1 2.95Å; R178-N242 VanDerWaalsContact NH2-OD1 3.12Å; L225-N242 HydrophobicContact CD1-CB 4.15Å; L225-N242 PolarHBondContact N-O 3.48Å; N242-V258 HydrophobicContact CB-CG1 3.59Å; N242-E260 PolarHBondContact ND2-OE2 3.5Å | ||
| 243 | S | 94.9 | Very high | 93.4 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.1 | -178.7 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | Y245 V258 L259 | S243-Y245 VanDerWaalsContact CB-CE2 3.47Å; S243-V258 WeakPolarHBondContact O-CA 3.42Å; S243-L259 PolarHBondContact O-N 3.37Å |
| 244 | I | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.5 | 177.4 | -54.9 | 169.4 | 0 | 0 | 0 | 107.7 | Y182 L190 L222 D223 L225 T256 C257 | Y182-I244 HydrophobicContact CD1-CD1 3.76Å; Y182-I244 HydrophobicContact CD2-CD1 3.8Å; Y182-I244 HydrophobicContact CE1-CD1 3.53Å; Y182-I244 HydrophobicContact CE2-CD1 3.58Å; Y182-I244 HydrophobicContact CG-CD1 3.9Å; Y182-I244 VanDerWaalsContact CZ-CD1 3.45Å; L190-I244 HydrophobicContact CD1-CD1 4.09Å; L190-I244 HydrophobicContact CD2-CG2 4.11Å; L222-I244 HydrophobicContact CB-CG2 4.32Å; L222-I244 WeakPolarHBondContact CB-O 3.4Å; L222-I244 HydrophobicContact CD2-CG2 3.99Å; L222-I244 PolarHBondContact N-O 3.11Å; D223-I244 PolarHBondContact N-O 2.95Å; D223-I244 WeakPolarHBondContact O-CB 3.35Å; D223-I244 PolarHBondContact O-N 3.42Å; L225-I244 HydrophobicContact CD2-CD1 3.84Å; L225-I244 HydrophobicContact CD2-CG1 4.33Å; L225-I244 HydrophobicContact CG-CD1 3.98Å; L225-I244 HydrophobicContact CG-CG1 3.98Å; I244-T256 HydrophobicContact CG2-CG2 3.6Å; I244-C257 WeakPolarHBondContact CA-O 3.47Å |
| 245 | Y | 94.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.9 | 179 | -66 | -93.3 | 0 | 0 | 0 | 110.7 | L212 I219 R220 F221 S243 T256 C257 L259 | L212-Y245 HydrophobicContact CB-CD1 4.42Å; L212-Y245 HydrophobicContact CB-CE1 3.82Å; L212-Y245 HydrophobicContact CD1-CD1 4.49Å; L212-Y245 HydrophobicContact CD1-CD2 4.17Å; L212-Y245 HydrophobicContact CD1-CE1 3.97Å; L212-Y245 HydrophobicContact CD1-CE2 3.56Å; L212-Y245 VanDerWaalsContact CD1-CZ 3.46Å; I219-Y245 HydrophobicContact CG2-CD1 3.62Å; I219-Y245 HydrophobicContact CG2-CE1 4.4Å; I219-Y245 HydrophobicContact CG2-CG 3.96Å; R220-Y245 CarbonylContact O-C 3.55Å; R220-Y245 VanDerWaalsContact O-CA 3.26Å; R220-Y245 WeakPolarHBondContact O-CA 3.48Å; F221-Y245 HydrophobicContact CB-CD1 4.24Å; F221-Y245 HydrophobicContact CB-CE1 3.91Å; F221-Y245 HydrophobicContact CD2-CE1 4.27Å; S243-Y245 VanDerWaalsContact CB-CE2 3.47Å; Y245-T256 WeakPolarHBondContact O-CA 3.13Å; Y245-T256 WeakPolarHBondContact O-CG2 3.34Å; Y245-C257 PolarHBondContact N-O 2.9Å; Y245-C257 PolarHBondContact O-N 3.37Å; Y245-L259 HydrophobicContact CD2-CB 3.74Å; Y245-L259 HydrophobicContact CE2-CB 4.29Å; Y245-L259 WeakPolarHBondContact CE2-O 3.13Å |
| 246 | E | 93.1 | Very high | 92.9 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 13% | 0.131 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 142.1 | 161.3 | 66.9 | 173.2 | -175.7 | 0 | 0 | 109.8 | R220 R253 | R220-E246 HydrophobicContact CB-CG 3.65Å; R220-E246 WeakPolarHBondContact CD-OE1 3.44Å; R220-E246 PolarHBondContact N-O 3.06Å; R220-E246 PolarHBondContact O-N 3.47Å; E246-R253 HydrophobicContact CB-CG 4.27Å; E246-R253 IonicContact OE2-CZ 3.49Å; E246-R253 IonicContact OE2-NE 2.91Å; E246-R253 PolarHBondContact OE2-NE 3.29Å; E246-R253 IonicContact OE2-NH2 2.84Å; E246-R253 PolarHBondContact OE2-NH2 3Å |
| 247 | L | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.9 | 178 | -57.6 | 173.8 | 0 | 0 | 0 | 108.7 | N218 I219 A254 G255 V329 L330 L333 | N218-L247 WeakPolarHBondContact O-CA 3.29Å; I219-L247 HydrophobicContact CB-CD2 4.35Å; I219-L247 HydrophobicContact CD1-CD2 4.5Å; I219-L247 HydrophobicContact CG1-CD2 3.82Å; I219-L247 HydrophobicContact CG2-CD2 4.16Å; L247-A254 PolarHBondContact O-N 3.27Å; L247-G255 PolarHBondContact N-O 3.12Å; L247-G255 PolarHBondContact O-N 3.46Å; L247-V329 HydrophobicContact CD1-CB 4.12Å; L247-V329 HydrophobicContact CD1-CG1 3.55Å; L247-V329 HydrophobicContact CD2-CG1 4.48Å; L247-L330 HydrophobicContact CB-CD1 4.39Å; L247-L330 HydrophobicContact CB-CD2 3.9Å; L247-L330 HydrophobicContact CB-CG 4.03Å; L247-L330 HydrophobicContact CD1-CD2 3.88Å; L247-L330 HydrophobicContact CD1-CG 3.97Å; L247-L333 HydrophobicContact CD1-CD2 4.1Å |
| 248 | L | 94.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 141.2 | -178.4 | -55 | -176.6 | 0 | 0 | 0 | 112.2 | N218 R220 Q252 R253 | N218-L248 HydrophobicContact CB-CB 4.09Å; N218-L248 PolarHBondContact O-N 3.34Å; R220-L248 HydrophobicContact CG-CD1 4.45Å; L248-Q252 CarbonylContact C-O 3.53Å; L248-Q252 VanDerWaalsContact CA-O 3.26Å; L248-Q252 WeakPolarHBondContact CA-O 3.44Å; L248-R253 HydrophobicContact CD2-CB 4.32Å |
| 249 | E | 93.4 | Very high | 92.9 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.7 | 167.9 | -171.6 | 169.9 | -105.2 | 0 | 0 | 107.6 | G251 Q252 A254 Q327 L330 R334 | E249-G251 PolarHBondContact O-N 3.19Å; E249-G251 VanDerWaalsContact O-N 3.15Å; E249-Q252 PolarHBondContact N-O 3.06Å; E249-Q252 PolarHBondContact O-N 2.94Å; E249-A254 HydrophobicContact CB-CB 3.68Å; E249-Q327 PolarHBondContact OE1-NE2 3.44Å; E249-Q327 VanDerWaalsContact OE1-NE2 3.08Å; E249-Q327 PolarHBondContact OE1-OE1 3.17Å; E249-L330 HydrophobicContact CB-CD1 4.35Å; E249-R334 IonicContact OE1-CZ 3.14Å; E249-R334 IonicContact OE1-NH1 3.87Å; E249-R334 PolarHBondContact OE1-NH1 2.95Å; E249-R334 IonicContact OE1-NH2 2.8Å; E249-R334 PolarHBondContact OE1-NH2 3.45Å; E249-R334 IonicContact OE2-CZ 2.67Å; E249-R334 IonicContact OE2-NH2 3.68Å; E249-R334 PolarHBondContact OE2-NH2 2.93Å |
| 250 | N | 90.8 | Very high | 93.1 | Very high | 161 Ų | 161 | 37.9 Ų | 37.9 | 86% | 0.861 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 34.2 | -174.9 | -55 | -43 | 0 | 0 | 0 | 113.8 | Q252 | N250-Q252 PolarHBondContact O-N 3.15Š|
| 251 | G | 88.8 | Confident | 93.3 | Very high | 59 Ų | 59 | 38.3 Ų | 38.3 | 61% | 0.608 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 0.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | E249 | E249-G251 PolarHBondContact O-N 3.19Å; E249-G251 VanDerWaalsContact O-N 3.15Å |
| 252 | Q | 91.3 | Very high | 93.5 | Very high | 153 Ų | 153 | 36.3 Ų | 36.3 | 72% | 0.715 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 149.6 | 174.5 | -63.5 | -164.9 | -11 | 0 | 0 | 111.2 | L248 E249 N250 A254 | L248-Q252 CarbonylContact C-O 3.53Å; L248-Q252 VanDerWaalsContact CA-O 3.26Å; L248-Q252 WeakPolarHBondContact CA-O 3.44Å; E249-Q252 PolarHBondContact N-O 3.06Å; E249-Q252 PolarHBondContact O-N 2.94Å; N250-Q252 PolarHBondContact O-N 3.15Å; Q252-A254 PolarHBondContact O-N 3.3Å |
| 253 | R | 90.3 | Very high | 93.6 | Very high | 118 Ų | 118 | 40.2 Ų | 40.2 | 45% | 0.445 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 117.3 | 177.3 | -174.3 | -176.7 | -65.6 | 170.7 | -3.4 | 110.1 | L189 E246 L248 | L189-R253 VanDerWaalsContact CD2-NH1 3.25Å; E246-R253 HydrophobicContact CB-CG 4.27Å; E246-R253 IonicContact OE2-CZ 3.49Å; E246-R253 IonicContact OE2-NE 2.91Å; E246-R253 PolarHBondContact OE2-NE 3.29Å; E246-R253 IonicContact OE2-NH2 2.84Å; E246-R253 PolarHBondContact OE2-NH2 3Å; L248-R253 HydrophobicContact CD2-CB 4.32Å |
| 254 | A | 90.9 | Very high | 93.8 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 37% | 0.372 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -21.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L247 E249 Q252 L330 | L247-A254 PolarHBondContact O-N 3.27Å; E249-A254 HydrophobicContact CB-CB 3.68Å; Q252-A254 PolarHBondContact O-N 3.3Å; A254-L330 HydrophobicContact CB-CD1 3.84Å; A254-L330 HydrophobicContact CB-CD2 3.75Å; A254-L330 HydrophobicContact CB-CG 4.48Å |
| 255 | G | 89.3 | Confident | 93.9 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 166.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L247 | L247-G255 PolarHBondContact N-O 3.12Å; L247-G255 PolarHBondContact O-N 3.46Å |
| 256 | T | 91.3 | Very high | 94 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.4 | 173.1 | -44.8 | 0 | 0 | 0 | 0 | 108.1 | L189 L190 S195 L222 I244 Y245 | L189-T256 PolarHBondContact O-OG1 3.07Å; L190-T256 HydrophobicContact CD2-CG2 3.58Å; L190-T256 HydrophobicContact CG-CG2 4.32Å; S195-T256 PolarHBondContact OG-O 3.46Å; L222-T256 HydrophobicContact CD2-CG2 3.8Å; I244-T256 HydrophobicContact CG2-CG2 3.6Å; Y245-T256 WeakPolarHBondContact O-CA 3.13Å; Y245-T256 WeakPolarHBondContact O-CG2 3.34Å |
| 257 | C | 93.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 162.6 | 179 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | Y199 I244 Y245 L333 | Y199-C257 HydrophobicContact CD2-CB 3.72Å; Y199-C257 HydrophobicContact CE2-CB 3.89Å; I244-C257 WeakPolarHBondContact CA-O 3.47Å; Y245-C257 PolarHBondContact N-O 2.9Å; Y245-C257 PolarHBondContact O-N 3.37Å; C257-L333 HydrophobicContact CB-CD1 4.28Å; C257-L333 HydrophobicContact CB-CD2 4.21Å |
| 258 | V | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117 | 167.5 | -171 | 0 | 0 | 0 | 0 | 107.5 | I179 L198 Y199 L225 N242 S243 | I179-V258 HydrophobicContact CD1-CG2 4.05Å; I179-V258 HydrophobicContact CG1-CG2 4.37Å; L198-V258 HydrophobicContact CD1-CB 4.34Å; L198-V258 HydrophobicContact CD1-CG1 3.6Å; Y199-V258 PolarHBondContact N-O 2.98Å; L225-V258 HydrophobicContact CD1-CB 4.47Å; L225-V258 HydrophobicContact CD1-CG1 3.94Å; L225-V258 HydrophobicContact CD1-CG2 3.62Å; L225-V258 HydrophobicContact CG-CG2 4.35Å; N242-V258 HydrophobicContact CB-CG1 3.59Å; S243-V258 WeakPolarHBondContact O-CA 3.42Å |
| 259 | L | 95.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 137 | -168.8 | -167.9 | 66.6 | 0 | 0 | 0 | 111 | Y199 L201 L212 I219 S243 Y245 V329 | Y199-L259 WeakPolarHBondContact O-CA 3.33Å; L201-L259 HydrophobicContact CD1-CD1 4.12Å; L201-L259 HydrophobicContact CD1-CD2 4.16Å; L201-L259 HydrophobicContact CD1-CG 4.05Å; L201-L259 HydrophobicContact CD2-CD1 3.87Å; L201-L259 HydrophobicContact CG-CD1 3.78Å; L201-L259 HydrophobicContact CG-CG 4.23Å; L212-L259 HydrophobicContact CD1-CB 4.44Å; L212-L259 HydrophobicContact CD1-CD2 4.02Å; L212-L259 HydrophobicContact CD1-CG 4.1Å; L212-L259 HydrophobicContact CD2-CD2 4.47Å; I219-L259 HydrophobicContact CG2-CD2 4.28Å; S243-L259 PolarHBondContact O-N 3.37Å; Y245-L259 HydrophobicContact CD2-CB 3.74Å; Y245-L259 HydrophobicContact CE2-CB 4.29Å; Y245-L259 WeakPolarHBondContact CE2-O 3.13Å; L259-V329 HydrophobicContact CD1-CG1 4.27Å; L259-V329 HydrophobicContact CD1-CG2 4.22Å; L259-V329 HydrophobicContact CD2-CG2 4.32Å |
| 260 | E | 97.1 | Very high | 94.1 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 162.4 | 175.4 | 64.5 | -175.8 | -153.7 | 0 | 0 | 112.1 | Y163 Y167 L198 Y199 I200 L201 N242 | Y163-E260 PolarHBondContact OH-OE1 3.07Å; Y167-E260 WeakPolarHBondContact CE1-OE1 3.31Å; Y167-E260 PolarHBondContact OH-OE1 3.25Å; Y167-E260 PolarHBondContact OH-OE2 3.32Å; L198-E260 HydrophobicContact CD1-CG 3.91Å; L198-E260 WeakPolarHBondContact CD2-OE1 3.39Å; L198-E260 HydrophobicContact CG-CG 4.45Å; Y199-E260 PolarHBondContact O-N 3.45Å; I200-E260 CarbonylContact C-O 3.57Å; I200-E260 WeakPolarHBondContact CA-O 3.27Å; I200-E260 HydrophobicContact CG1-CG 4.44Å; L201-E260 PolarHBondContact N-O 3.01Å; N242-E260 PolarHBondContact ND2-OE2 3.5Å |
| 261 | Y | 97.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 42 Ų | 42 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 147.6 | 170 | -76.4 | -77.5 | 0 | 0 | 0 | 111.8 | L201 P203 V208 P209 L212 T263 Y314 | L201-Y261 HydrophobicContact CB-CD1 3.61Å; L201-Y261 HydrophobicContact CB-CE1 3.87Å; L201-Y261 HydrophobicContact CB-CG 4.31Å; L201-Y261 HydrophobicContact CD1-CD1 4.17Å; L201-Y261 HydrophobicContact CD1-CE1 3.87Å; L201-Y261 HydrophobicContact CD1-CE2 4.39Å; P203-Y261 HydrophobicContact CG-CD1 4.06Å; P203-Y261 HydrophobicContact CG-CE1 4Å; V208-Y261 HydrophobicContact CG1-CD1 4.19Å; V208-Y261 HydrophobicContact CG1-CD2 3.98Å; V208-Y261 HydrophobicContact CG1-CG 3.68Å; V208-Y261 HydrophobicContact CG2-CD1 4.43Å; P209-Y261 HydrophobicContact CG-CE2 3.92Å; P209-Y261 WeakPolarHBondContact CG-OH 3.39Å; L212-Y261 HydrophobicContact CD2-CD2 4.08Å; L212-Y261 HydrophobicContact CD2-CE2 3.26Å; L212-Y261 HydrophobicContact CG-CD2 4.3Å; L212-Y261 HydrophobicContact CG-CE2 3.76Å; Y261-T263 PolarHBondContact O-N 3.46Å; Y261-Y314 WeakPolarHBondContact CE1-OH 3.48Å |
| 262 | A | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -67.8 | 102.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I200 L201 L202 P264 L265 F291 | I200-A262 HydrophobicContact CG2-CB 3.86Å; L201-A262 PolarHBondContact O-N 3.35Å; L202-A262 HydrophobicContact CD2-CB 4.38Å; L202-A262 HydrophobicContact CG-CB 4.14Å; A262-P264 VanDerWaalsContact C-N 3.31Å; A262-P264 VanDerWaalsContact O-N 3.17Å; A262-L265 HydrophobicContact CB-CD1 4.11Å; A262-L265 HydrophobicContact CB-CG 4.26Å; A262-L265 WeakPolarHBondContact O-CB 3.35Å; A262-L265 PolarHBondContact O-N 3.23Å; A262-L265 VanDerWaalsContact O-N 3.12Å; A262-F291 HydrophobicContact CB-CE1 4.01Å; A262-F291 HydrophobicContact CB-CZ 4.19Å | ||
| 263 | T | 96.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 39 Ų | 39 | 50% | 0.503 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -50.4 | -38.9 | -178.3 | -40 | 0 | 0 | 0 | 0 | 114.7 | Y261 L265 Q266 | Y261-T263 PolarHBondContact O-N 3.46Å; T263-L265 PolarHBondContact O-N 2.98Å; T263-L265 VanDerWaalsContact O-N 3.1Å; T263-Q266 WeakPolarHBondContact O-CB 3.33Å; T263-Q266 PolarHBondContact O-N 2.73Å |
| 264 | P | 97.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.071 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -21.5 | -178.8 | -23.7 | 33.2 | 0 | 0 | 0 | 115.2 | L159 Y163 A262 Q266 T267 L268 F291 | L159-P264 HydrophobicContact CB-CB 3.96Å; L159-P264 HydrophobicContact CD1-CB 4.19Å; L159-P264 HydrophobicContact CD2-CB 4.24Å; L159-P264 HydrophobicContact CG-CB 4.35Å; Y163-P264 HydrophobicContact CD2-CG 3.8Å; Y163-P264 HydrophobicContact CG-CG 3.82Å; A262-P264 VanDerWaalsContact C-N 3.31Å; A262-P264 VanDerWaalsContact O-N 3.17Å; P264-Q266 VanDerWaalsContact C-N 3.3Å; P264-Q266 PolarHBondContact O-N 3.42Å; P264-T267 VanDerWaalsContact O-CB 3.31Å; P264-T267 WeakPolarHBondContact O-CB 3.21Å; P264-T267 PolarHBondContact O-N 3.33Å; P264-L268 PolarHBondContact O-N 3.47Å; P264-L268 VanDerWaalsContact O-N 3.16Å; P264-F291 HydrophobicContact CB-CE2 3.87Å; P264-F291 HydrophobicContact CB-CZ 4.07Å; P264-F291 HydrophobicContact CG-CE2 3.87Å; P264-F291 HydrophobicContact CG-CZ 3.93Å |
| 265 | L | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -34.9 | 175.8 | -64.1 | 177.6 | 0 | 0 | 0 | 111.5 | L202 P203 C206 V208 A262 T263 T267 L268 F269 A288 F291 | L202-L265 HydrophobicContact CB-CD1 4.08Å; P203-L265 HydrophobicContact CG-CD1 4.17Å; C206-L265 HydrophobicContact CB-CB 4.32Å; C206-L265 WeakPolarHBondContact CB-O 3.37Å; V208-L265 HydrophobicContact CG2-CB 3.9Å; A262-L265 HydrophobicContact CB-CD1 4.11Å; A262-L265 HydrophobicContact CB-CG 4.26Å; A262-L265 WeakPolarHBondContact O-CB 3.35Å; A262-L265 PolarHBondContact O-N 3.23Å; A262-L265 VanDerWaalsContact O-N 3.12Å; T263-L265 PolarHBondContact O-N 2.98Å; T263-L265 VanDerWaalsContact O-N 3.1Å; L265-T267 VanDerWaalsContact C-N 3.26Å; L265-T267 PolarHBondContact O-N 2.93Å; L265-L268 HydrophobicContact CD2-CD1 4.17Å; L265-L268 PolarHBondContact O-N 3.23Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L265-F269 PolarHBondContact O-N 2.77Å; L265-A288 HydrophobicContact CD2-CB 4.18Å; L265-F291 HydrophobicContact CD2-CD1 3.76Å; L265-F291 HydrophobicContact CD2-CE1 4.08Å; L265-F291 HydrophobicContact CG-CD1 4.37Å; L265-F291 HydrophobicContact CG-CE1 4.18Å |
| 266 | Q | 96.3 | Very high | 93.5 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 173.5 | -166.4 | 176.7 | 25.1 | 0 | 0 | 111.4 | V208 T263 P264 F269 A270 | V208-Q266 HydrophobicContact CB-CB 4.2Å; V208-Q266 HydrophobicContact CG2-CB 4.41Å; T263-Q266 WeakPolarHBondContact O-CB 3.33Å; T263-Q266 PolarHBondContact O-N 2.73Å; P264-Q266 VanDerWaalsContact C-N 3.3Å; P264-Q266 PolarHBondContact O-N 3.42Å; Q266-F269 PolarHBondContact O-N 2.92Å; Q266-A270 WeakPolarHBondContact O-CB 3.46Å; Q266-A270 PolarHBondContact O-N 3.31Å |
| 267 | T | 95.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 173.2 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | L159 P264 L265 F269 A270 M271 | L159-T267 HydrophobicContact CD2-CG2 4.41Å; P264-T267 VanDerWaalsContact O-CB 3.31Å; P264-T267 WeakPolarHBondContact O-CB 3.21Å; P264-T267 PolarHBondContact O-N 3.33Å; L265-T267 VanDerWaalsContact C-N 3.26Å; L265-T267 PolarHBondContact O-N 2.93Å; T267-F269 VanDerWaalsContact C-N 3.3Å; T267-F269 PolarHBondContact O-N 3.41Å; T267-A270 PolarHBondContact O-N 3.42Å; T267-M271 HydrophobicContact CG2-SD 4.22Å; T267-M271 WeakPolarHBondContact O-CB 3.41Å; T267-M271 VanDerWaalsContact O-CG 3.27Å; T267-M271 WeakPolarHBondContact O-CG 3.4Å; T267-M271 PolarHBondContact O-N 3.45Å |
| 268 | L | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 176 | -68.3 | -179.3 | 0 | 0 | 0 | 111.9 | V155 L159 P264 L265 S272 F279 R284 Q287 A288 | V155-L268 HydrophobicContact CG1-CD2 3.76Å; L159-L268 HydrophobicContact CD1-CD1 4.44Å; L159-L268 HydrophobicContact CD1-CD2 3.63Å; L159-L268 HydrophobicContact CD1-CG 3.76Å; P264-L268 PolarHBondContact O-N 3.47Å; P264-L268 VanDerWaalsContact O-N 3.16Å; L265-L268 HydrophobicContact CD2-CD1 4.17Å; L265-L268 PolarHBondContact O-N 3.23Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L268-S272 PolarHBondContact O-N 2.87Å; L268-S272 VanDerWaalsContact O-N 3.13Å; L268-F279 HydrophobicContact CB-CE1 4.49Å; L268-F279 HydrophobicContact CD2-CE1 4.2Å; L268-F279 HydrophobicContact CD2-CZ 3.99Å; L268-R284 HydrophobicContact CB-CG 4.26Å; L268-Q287 HydrophobicContact CD1-CB 4.25Å; L268-Q287 HydrophobicContact CD2-CB 4.14Å; L268-A288 HydrophobicContact CD1-CB 4.25Å |
| 269 | F | 94.6 | Very high | 92.2 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -51.5 | 174.3 | -171.8 | -93.3 | 0 | 0 | 0 | 111.3 | C206 L265 Q266 T267 M271 S272 Q273 | C206-F269 HydrophobicContact CB-CB 3.9Å; C206-F269 HydrophobicContact CB-CD2 4.36Å; C206-F269 WeakPolarHBondContact O-CB 3.24Å; L265-F269 PolarHBondContact O-N 2.77Å; Q266-F269 PolarHBondContact O-N 2.92Å; T267-F269 VanDerWaalsContact C-N 3.3Å; T267-F269 PolarHBondContact O-N 3.41Å; F269-M271 VanDerWaalsContact C-N 3.33Å; F269-M271 PolarHBondContact O-N 3.12Å; F269-S272 PolarHBondContact O-N 3.41Å; F269-S272 PolarHBondContact O-OG 3.36Å; F269-Q273 HydrophobicContact CD1-CG 4.14Å; F269-Q273 HydrophobicContact CE1-CG 3.85Å; F269-Q273 HydrophobicContact CZ-CG 4.35Å; F269-Q273 WeakPolarHBondContact O-CG 3.36Å; F269-Q273 PolarHBondContact O-N 2.89Å |
| 270 | A | 93.8 | Very high | 91.8 | Very high | 57 Ų | 57 | 55 Ų | 55 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q266 T267 S272 Q273 Y274 | Q266-A270 WeakPolarHBondContact O-CB 3.46Å; Q266-A270 PolarHBondContact O-N 3.31Å; T267-A270 PolarHBondContact O-N 3.42Å; A270-S272 VanDerWaalsContact C-N 3.25Å; A270-S272 PolarHBondContact O-N 3.01Å; A270-Q273 PolarHBondContact O-N 3.41Å; A270-Q273 VanDerWaalsContact O-N 3.15Å; A270-Y274 PolarHBondContact O-N 3.25Å; A270-Y274 VanDerWaalsContact O-N 3.07Å |
| 271 | M | 92.3 | Very high | 91.5 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 26% | 0.256 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 174.2 | -73.6 | 175.8 | 65.4 | 0 | 0 | 111.9 | V155 T267 F269 Q273 Y274 F279 | V155-M271 HydrophobicContact CG1-CE 4.07Å; V155-M271 HydrophobicContact CG1-SD 4.02Å; V155-M271 HydrophobicContact CG2-CE 4.04Å; T267-M271 HydrophobicContact CG2-SD 4.22Å; T267-M271 WeakPolarHBondContact O-CB 3.41Å; T267-M271 VanDerWaalsContact O-CG 3.27Å; T267-M271 WeakPolarHBondContact O-CG 3.4Å; T267-M271 PolarHBondContact O-N 3.45Å; F269-M271 VanDerWaalsContact C-N 3.33Å; F269-M271 PolarHBondContact O-N 3.12Å; M271-Q273 VanDerWaalsContact C-N 3.32Å; M271-Q273 PolarHBondContact O-N 2.91Å; M271-Y274 PolarHBondContact O-N 3.41Å; M271-F279 HydrophobicContact CB-CD1 3.78Å; M271-F279 HydrophobicContact CB-CE1 4.29Å; M271-F279 HydrophobicContact CB-CG 4.32Å |
| 272 | S | 91.3 | Very high | 91 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 15% | 0.154 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.5 | -25.1 | 179 | 73 | 0 | 0 | 0 | 0 | 114 | L268 F269 A270 F279 R284 | L268-S272 PolarHBondContact O-N 2.87Å; L268-S272 VanDerWaalsContact O-N 3.13Å; F269-S272 PolarHBondContact O-N 3.41Å; F269-S272 PolarHBondContact O-OG 3.36Å; A270-S272 VanDerWaalsContact C-N 3.25Å; A270-S272 PolarHBondContact O-N 3.01Å; S272-F279 WeakPolarHBondContact CA-O 3.44Å; S272-R284 WeakPolarHBondContact OG-CD 3.37Å; S272-R284 PolarHBondContact OG-NH1 2.93Å |
| 273 | Q | 90.8 | Very high | 90.6 | Very high | 126 Ų | 126 | 67.9 Ų | 67.9 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -82.9 | -18.6 | 174.5 | -57.9 | -57.6 | -23.9 | 0 | 0 | 111.9 | F269 A270 M271 G275 | F269-Q273 HydrophobicContact CD1-CG 4.14Å; F269-Q273 HydrophobicContact CE1-CG 3.85Å; F269-Q273 HydrophobicContact CZ-CG 4.35Å; F269-Q273 WeakPolarHBondContact O-CG 3.36Å; F269-Q273 PolarHBondContact O-N 2.89Å; A270-Q273 PolarHBondContact O-N 3.41Å; A270-Q273 VanDerWaalsContact O-N 3.15Å; M271-Q273 VanDerWaalsContact C-N 3.32Å; M271-Q273 PolarHBondContact O-N 2.91Å; Q273-G275 PolarHBondContact O-N 2.84Å |
| 274 | Y | 89.6 | Confident | 90.4 | Very high | 139 Ų | 139 | 64.7 Ų | 64.7 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | trans | -87.3 | 92 | -179.6 | -163 | -104.5 | 0 | 0 | 0 | 110.6 | A270 M271 Q276 A277 | A270-Y274 PolarHBondContact O-N 3.25Å; A270-Y274 VanDerWaalsContact O-N 3.07Å; M271-Y274 PolarHBondContact O-N 3.41Å; Y274-Q276 HydrophobicContact CD1-CB 4.04Å; Y274-Q276 HydrophobicContact CE1-CB 3.63Å; Y274-Q276 HydrophobicContact CE1-CG 4.3Å; Y274-Q276 PolarHBondContact O-N 3.26Å; Y274-Q276 PolarHBondContact OH-OE1 3.49Å; Y274-A277 HydrophobicContact CD1-CB 4.17Å; Y274-A277 VanDerWaalsContact O-CB 3.25Å; Y274-A277 WeakPolarHBondContact O-CB 3.5Å; Y274-A277 PolarHBondContact O-N 3.29Å | ||
| 275 | G | 81 | Confident | 90.1 | Very high | 72 Ų | 72 | 66 Ų | 66 | 74% | 0.742 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -53.5 | -28.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q273 A277 G278 | Q273-G275 PolarHBondContact O-N 2.84Å; G275-A277 VanDerWaalsContact C-N 3.29Å; G275-A277 PolarHBondContact O-N 3.02Å; G275-G278 PolarHBondContact O-N 3.41Å |
| 276 | Q | 83.6 | Confident | 89.8 | Confident | 163 Ų | 163 | 71.3 Ų | 71.3 | 76% | 0.762 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -72.7 | -18.9 | 176.7 | -63.2 | 174.2 | -7.6 | 0 | 0 | 113.7 | Y274 G278 | Y274-Q276 HydrophobicContact CD1-CB 4.04Å; Y274-Q276 HydrophobicContact CE1-CB 3.63Å; Y274-Q276 HydrophobicContact CE1-CG 4.3Å; Y274-Q276 PolarHBondContact O-N 3.26Å; Y274-Q276 PolarHBondContact OH-OE1 3.49Å; Q276-G278 PolarHBondContact O-N 2.85Å |
| 277 | A | 82.8 | Confident | 89.6 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -70 | -18.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y274 G275 F279 | Y274-A277 HydrophobicContact CD1-CB 4.17Å; Y274-A277 VanDerWaalsContact O-CB 3.25Å; Y274-A277 WeakPolarHBondContact O-CB 3.5Å; Y274-A277 PolarHBondContact O-N 3.29Å; G275-A277 VanDerWaalsContact C-N 3.29Å; G275-A277 PolarHBondContact O-N 3.02Å; A277-F279 HydrophobicContact CB-CB 4.2Å; A277-F279 PolarHBondContact O-N 3.5Å |
| 278 | G | 81.4 | Confident | 89.5 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 63% | 0.629 | 35% | 0.349 | S | S | * | . | trans | 60.9 | 30.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G275 Q276 | G275-G278 PolarHBondContact O-N 3.41Å; Q276-G278 PolarHBondContact O-N 2.85Å | ||
| 279 | F | 86.7 | Confident | 89.5 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | trans | -105.6 | 102.3 | -173.4 | -166.5 | -114.7 | 0 | 0 | 0 | 109.8 | L268 M271 S272 A277 D283 R284 Q287 | L268-F279 HydrophobicContact CB-CE1 4.49Å; L268-F279 HydrophobicContact CD2-CE1 4.2Å; L268-F279 HydrophobicContact CD2-CZ 3.99Å; M271-F279 HydrophobicContact CB-CD1 3.78Å; M271-F279 HydrophobicContact CB-CE1 4.29Å; M271-F279 HydrophobicContact CB-CG 4.32Å; S272-F279 WeakPolarHBondContact CA-O 3.44Å; A277-F279 HydrophobicContact CB-CB 4.2Å; A277-F279 PolarHBondContact O-N 3.5Å; F279-D283 HydrophobicContact CD2-CB 3.76Å; F279-D283 HydrophobicContact CE2-CB 3.68Å; F279-D283 HydrophobicContact CG-CB 4.43Å; F279-D283 HydrophobicContact CZ-CB 4.3Å; F279-R284 HydrophobicContact CD1-CB 4.28Å; F279-R284 VanDerWaalsContact CE1-CA 3.46Å; F279-R284 HydrophobicContact CE1-CB 3.64Å; F279-R284 HydrophobicContact CE1-CG 4.07Å; F279-R284 HydrophobicContact CZ-CB 4.23Å; F279-Q287 HydrophobicContact CE2-CB 4.43Å; F279-Q287 HydrophobicContact CE2-CG 3.69Å; F279-Q287 HydrophobicContact CZ-CB 3.92Å; F279-Q287 HydrophobicContact CZ-CG 3.7Å | ||
| 280 | S | 88.8 | Confident | 89.5 | Confident | 42 Ų | 42 | 66 Ų | 66 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | trans | -74.8 | 171 | -175.1 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | E282 D283 R284 | S280-E282 PolarHBondContact O-N 3.31Å; S280-D283 WeakPolarHBondContact CB-OD2 3.39Å; S280-D283 PolarHBondContact N-OD2 3.23Å; S280-D283 PolarHBondContact O-N 2.92Å; S280-D283 PolarHBondContact OG-N 3.2Å; S280-D283 PolarHBondContact OG-OD2 3.21Å; S280-R284 WeakPolarHBondContact O-CB 3.35Å; S280-R284 PolarHBondContact O-N 3.49Å | ||
| 281 | R | 89.7 | Confident | 89.6 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 172.6 | -174.5 | 179.9 | -179.9 | 177.8 | 2.8 | 110.8 | R284 L285 E316 | R281-R284 PolarHBondContact O-N 2.9Å; R281-L285 PolarHBondContact O-N 2.98Å; R281-E316 IonicContact CZ-OE2 3.02Å; R281-E316 VanDerWaalsContact NH2-CD 3.28Å; R281-E316 IonicContact NH2-OE1 3.65Å; R281-E316 PolarHBondContact NH2-OE1 2.96Å; R281-E316 IonicContact NH2-OE2 3.53Å; R281-E316 PolarHBondContact NH2-OE2 2.89Å |
| 282 | E | 88.3 | Confident | 89.8 | Confident | 131 Ų | 131 | 61.4 Ų | 61.4 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.3 | -48.5 | 175.2 | -66.8 | 69.1 | -153.7 | 0 | 0 | 110.9 | S280 R284 L285 E286 | S280-E282 PolarHBondContact O-N 3.31Å; E282-R284 VanDerWaalsContact C-N 3.29Å; E282-R284 PolarHBondContact O-N 3.24Å; E282-L285 PolarHBondContact O-N 3Å; E282-E286 PolarHBondContact O-N 2.89Å |
| 283 | D | 88.6 | Confident | 90 | Very high | 52 Ų | 52 | 66.6 Ų | 66.6 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176 | -58.4 | -43.7 | 0 | 0 | 0 | 110.9 | F279 S280 L285 E286 Q287 | F279-D283 HydrophobicContact CD2-CB 3.76Å; F279-D283 HydrophobicContact CE2-CB 3.68Å; F279-D283 HydrophobicContact CG-CB 4.43Å; F279-D283 HydrophobicContact CZ-CB 4.3Å; S280-D283 WeakPolarHBondContact CB-OD2 3.39Å; S280-D283 PolarHBondContact N-OD2 3.23Å; S280-D283 PolarHBondContact O-N 2.92Å; S280-D283 PolarHBondContact OG-N 3.2Å; S280-D283 PolarHBondContact OG-OD2 3.21Å; D283-L285 PolarHBondContact O-N 3.36Å; D283-E286 PolarHBondContact O-N 3.03Å; D283-Q287 WeakPolarHBondContact O-CB 3.35Å; D283-Q287 VanDerWaalsContact O-CG 3.31Å; D283-Q287 WeakPolarHBondContact O-CG 3.31Å; D283-Q287 PolarHBondContact O-N 3.02Å |
| 284 | R | 92.2 | Very high | 90.2 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 6% | 0.06 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.8 | -50.7 | 175.2 | -176.1 | -180 | 78.1 | -155.9 | 10.7 | 111.9 | D205 C206 L268 S272 F279 S280 R281 E282 E286 Q287 A288 | D205-R284 PolarHBondContact O-NE 3.32Å; D205-R284 PolarHBondContact O-NH2 3.22Å; C206-R284 HydrophobicContact CB-CG 4.29Å; L268-R284 HydrophobicContact CB-CG 4.26Å; S272-R284 WeakPolarHBondContact OG-CD 3.37Å; S272-R284 PolarHBondContact OG-NH1 2.93Å; F279-R284 HydrophobicContact CD1-CB 4.28Å; F279-R284 VanDerWaalsContact CE1-CA 3.46Å; F279-R284 HydrophobicContact CE1-CB 3.64Å; F279-R284 HydrophobicContact CE1-CG 4.07Å; F279-R284 HydrophobicContact CZ-CB 4.23Å; S280-R284 WeakPolarHBondContact O-CB 3.35Å; S280-R284 PolarHBondContact O-N 3.49Å; R281-R284 PolarHBondContact O-N 2.9Å; E282-R284 VanDerWaalsContact C-N 3.29Å; E282-R284 PolarHBondContact O-N 3.24Å; R284-E286 VanDerWaalsContact C-N 3.32Å; R284-E286 PolarHBondContact O-N 3.46Å; R284-Q287 PolarHBondContact O-N 3.46Å; R284-A288 VanDerWaalsContact O-CB 3.3Å; R284-A288 WeakPolarHBondContact O-CB 3.37Å; R284-A288 PolarHBondContact O-N 3.41Å |
| 285 | L | 92 | Very high | 90.6 | Very high | 39 Ų | 39 | 54.3 Ų | 54.3 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 179.8 | 177.9 | 63 | 0 | 0 | 0 | 111.4 | L204 R281 E282 D283 A288 K289 | L204-L285 HydrophobicContact CB-CD1 4.05Å; L204-L285 WeakPolarHBondContact O-CD1 3.42Å; R281-L285 PolarHBondContact O-N 2.98Å; E282-L285 PolarHBondContact O-N 3Å; D283-L285 PolarHBondContact O-N 3.36Å; L285-A288 PolarHBondContact O-N 3.36Å; L285-K289 WeakPolarHBondContact O-CG 3.42Å; L285-K289 PolarHBondContact O-N 3.08Å |
| 286 | E | 90.3 | Very high | 91.2 | Very high | 110 Ų | 110 | 56.7 Ų | 56.7 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 177.2 | -173.5 | 173 | -176.4 | 0 | 0 | 111.6 | E282 D283 R284 A288 K289 L290 | E282-E286 PolarHBondContact O-N 2.89Å; D283-E286 PolarHBondContact O-N 3.03Å; R284-E286 VanDerWaalsContact C-N 3.32Å; R284-E286 PolarHBondContact O-N 3.46Å; E286-A288 VanDerWaalsContact C-N 3.35Å; E286-A288 PolarHBondContact O-N 3.08Å; E286-K289 PolarHBondContact O-N 3.38Å; E286-L290 WeakPolarHBondContact O-CB 3.39Å; E286-L290 PolarHBondContact O-N 3.47Å |
| 287 | Q | 92.5 | Very high | 91.8 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 176.6 | -67.8 | -59.9 | -56.8 | 0 | 0 | 112.5 | A156 L268 F279 D283 R284 L290 F291 | A156-Q287 HydrophobicContact CB-CB 4.33Å; A156-Q287 WeakPolarHBondContact CB-O 3.33Å; L268-Q287 HydrophobicContact CD1-CB 4.25Å; L268-Q287 HydrophobicContact CD2-CB 4.14Å; F279-Q287 HydrophobicContact CE2-CB 4.43Å; F279-Q287 HydrophobicContact CE2-CG 3.69Å; F279-Q287 HydrophobicContact CZ-CB 3.92Å; F279-Q287 HydrophobicContact CZ-CG 3.7Å; D283-Q287 WeakPolarHBondContact O-CB 3.35Å; D283-Q287 VanDerWaalsContact O-CG 3.31Å; D283-Q287 WeakPolarHBondContact O-CG 3.31Å; D283-Q287 PolarHBondContact O-N 3.02Å; R284-Q287 PolarHBondContact O-N 3.46Å; Q287-L290 PolarHBondContact O-N 3.02Å; Q287-F291 VanDerWaalsContact O-CB 3.29Å; Q287-F291 WeakPolarHBondContact O-CB 3.35Å; Q287-F291 PolarHBondContact O-N 2.7Å |
| 288 | A | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L265 L268 R284 L285 E286 L290 F291 C292 | L265-A288 HydrophobicContact CD2-CB 4.18Å; L268-A288 HydrophobicContact CD1-CB 4.25Å; R284-A288 VanDerWaalsContact O-CB 3.3Å; R284-A288 WeakPolarHBondContact O-CB 3.37Å; R284-A288 PolarHBondContact O-N 3.41Å; L285-A288 PolarHBondContact O-N 3.36Å; E286-A288 VanDerWaalsContact C-N 3.35Å; E286-A288 PolarHBondContact O-N 3.08Å; A288-L290 VanDerWaalsContact C-N 3.33Å; A288-L290 PolarHBondContact O-N 2.96Å; A288-F291 WeakPolarHBondContact O-CB 3.27Å; A288-F291 PolarHBondContact O-N 3.3Å; A288-C292 PolarHBondContact O-N 3.29Å; A288-C292 PolarHBondContact O-SG 3.4Å |
| 289 | K | 94 | Very high | 92.9 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 35% | 0.352 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 173.9 | -72.6 | 179.1 | 177.1 | -170.7 | 0 | 111.6 | S75 L204 L285 E286 C292 R293 | S75-K289 PolarHBondContact O-NZ 2.92Å; L204-K289 HydrophobicContact CD2-CG 4.18Å; L285-K289 WeakPolarHBondContact O-CG 3.42Å; L285-K289 PolarHBondContact O-N 3.08Å; E286-K289 PolarHBondContact O-N 3.38Å; K289-C292 PolarHBondContact O-N 2.91Å; K289-R293 PolarHBondContact O-N 3.17Å |
| 290 | L | 94.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.1 | -177.2 | 56.9 | 0 | 0 | 0 | 111.4 | A156 E286 Q287 A288 R293 T294 | A156-L290 HydrophobicContact CB-CB 3.81Å; A156-L290 HydrophobicContact CB-CD2 3.84Å; A156-L290 HydrophobicContact CB-CG 3.69Å; E286-L290 WeakPolarHBondContact O-CB 3.39Å; E286-L290 PolarHBondContact O-N 3.47Å; Q287-L290 PolarHBondContact O-N 3.02Å; A288-L290 VanDerWaalsContact C-N 3.33Å; A288-L290 PolarHBondContact O-N 2.96Å; L290-R293 PolarHBondContact O-N 3.45Å; L290-T294 WeakPolarHBondContact O-CB 3.41Å; L290-T294 PolarHBondContact O-N 3.41Å; L290-T294 PolarHBondContact O-OG1 2.93Å |
| 291 | F | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 175.2 | 165.4 | -99 | 0 | 0 | 0 | 111.3 | A156 L159 A160 Y163 L202 A262 P264 L265 Q287 A288 R293 T294 L295 | A156-F291 HydrophobicContact CB-CB 4.16Å; L159-F291 HydrophobicContact CB-CD2 4.19Å; L159-F291 HydrophobicContact CB-CE2 4.46Å; A160-F291 HydrophobicContact CB-CD2 3.92Å; A160-F291 HydrophobicContact CB-CE2 4.2Å; Y163-F291 HydrophobicContact CD1-CZ 4.4Å; L202-F291 HydrophobicContact CD2-CD1 4.19Å; L202-F291 HydrophobicContact CD2-CE1 3.7Å; A262-F291 HydrophobicContact CB-CE1 4.01Å; A262-F291 HydrophobicContact CB-CZ 4.19Å; P264-F291 HydrophobicContact CB-CE2 3.87Å; P264-F291 HydrophobicContact CB-CZ 4.07Å; P264-F291 HydrophobicContact CG-CE2 3.87Å; P264-F291 HydrophobicContact CG-CZ 3.93Å; L265-F291 HydrophobicContact CD2-CD1 3.76Å; L265-F291 HydrophobicContact CD2-CE1 4.08Å; L265-F291 HydrophobicContact CG-CD1 4.37Å; L265-F291 HydrophobicContact CG-CE1 4.18Å; Q287-F291 VanDerWaalsContact O-CB 3.29Å; Q287-F291 WeakPolarHBondContact O-CB 3.35Å; Q287-F291 PolarHBondContact O-N 2.7Å; A288-F291 WeakPolarHBondContact O-CB 3.27Å; A288-F291 PolarHBondContact O-N 3.3Å; F291-R293 PolarHBondContact O-N 3.48Å; F291-T294 PolarHBondContact O-N 3.36Å; F291-L295 HydrophobicContact CE1-CD2 4.33Å; F291-L295 HydrophobicContact CZ-CD2 3.99Å; F291-L295 VanDerWaalsContact O-CB 3.29Å; F291-L295 WeakPolarHBondContact O-CB 3.48Å; F291-L295 PolarHBondContact O-N 3.37Å |
| 292 | C | 96.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -49.3 | 177.7 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | L202 A288 K289 L295 E296 V313 | L202-C292 HydrophobicContact CD2-CB 4.35Å; L202-C292 VanDerWaalsContact CD2-SG 3.53Å; A288-C292 PolarHBondContact O-N 3.29Å; A288-C292 PolarHBondContact O-SG 3.4Å; K289-C292 PolarHBondContact O-N 2.91Å; C292-L295 PolarHBondContact O-N 2.99Å; C292-E296 WeakPolarHBondContact O-CB 3.35Å; C292-E296 PolarHBondContact O-N 2.94Å; C292-V313 HydrophobicContact CB-CG2 4.26Å |
| 293 | R | 95.3 | Very high | 92.7 | Very high | 131 Ų | 131 | 48.9 Ų | 48.9 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 179 | -174.4 | -175.3 | 68.8 | -179.2 | 3.6 | 111.7 | K289 L290 F291 L295 E296 D297 | K289-R293 PolarHBondContact O-N 3.17Å; L290-R293 PolarHBondContact O-N 3.45Å; F291-R293 PolarHBondContact O-N 3.48Å; R293-L295 VanDerWaalsContact C-N 3.29Å; R293-L295 PolarHBondContact O-N 3.48Å; R293-E296 WeakPolarHBondContact O-CB 3.43Å; R293-E296 PolarHBondContact O-N 3.29Å; R293-D297 VanDerWaalsContact O-CG 3.22Å; R293-D297 PolarHBondContact O-N 2.87Å |
| 294 | T | 95.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 179.8 | -61 | 0 | 0 | 0 | 0 | 111.6 | A160 L290 F291 D297 I298 | A160-T294 HydrophobicContact CB-CG2 3.7Å; L290-T294 WeakPolarHBondContact O-CB 3.41Å; L290-T294 PolarHBondContact O-N 3.41Å; L290-T294 PolarHBondContact O-OG1 2.93Å; F291-T294 PolarHBondContact O-N 3.36Å; T294-D297 PolarHBondContact O-N 3.43Å; T294-I298 HydrophobicContact CG2-CD1 3.95Å; T294-I298 HydrophobicContact CG2-CG1 4.5Å; T294-I298 WeakPolarHBondContact O-CB 3.38Å; T294-I298 WeakPolarHBondContact O-CD1 3.41Å; T294-I298 WeakPolarHBondContact O-CG1 3.34Å; T294-I298 PolarHBondContact O-N 2.85Å |
| 295 | L | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 176.1 | -175.6 | 62.2 | 0 | 0 | 0 | 111.8 | Y163 L168 L202 F291 C292 R293 I298 L299 L311 | Y163-L295 HydrophobicContact CD1-CD1 4.3Å; Y163-L295 HydrophobicContact CD1-CD2 4.06Å; Y163-L295 HydrophobicContact CE1-CD2 4.29Å; L168-L295 HydrophobicContact CD1-CD1 3.98Å; L202-L295 HydrophobicContact CD2-CD2 4.38Å; F291-L295 HydrophobicContact CE1-CD2 4.33Å; F291-L295 HydrophobicContact CZ-CD2 3.99Å; F291-L295 VanDerWaalsContact O-CB 3.29Å; F291-L295 WeakPolarHBondContact O-CB 3.48Å; F291-L295 PolarHBondContact O-N 3.37Å; C292-L295 PolarHBondContact O-N 2.99Å; R293-L295 VanDerWaalsContact C-N 3.29Å; R293-L295 PolarHBondContact O-N 3.48Å; L295-I298 PolarHBondContact O-N 3.49Å; L295-L299 HydrophobicContact CD1-CD1 4.49Å; L295-L299 HydrophobicContact CD1-CG 4.48Å; L295-L299 HydrophobicContact CG-CD1 4.2Å; L295-L299 WeakPolarHBondContact O-CB 3.36Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 2.93Å; L295-L311 HydrophobicContact CD2-CD1 4.35Å; L295-L311 HydrophobicContact CD2-CD2 3.96Å; L295-L311 HydrophobicContact CG-CD1 4.3Å |
| 296 | E | 95.5 | Very high | 91.3 | Very high | 123 Ų | 123 | 56.3 Ų | 56.3 | 58% | 0.575 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.5 | -47.7 | 173.1 | -178 | 174.4 | -152.2 | 0 | 0 | 111.3 | C292 R293 I298 L299 A300 L311 | C292-E296 WeakPolarHBondContact O-CB 3.35Å; C292-E296 PolarHBondContact O-N 2.94Å; R293-E296 WeakPolarHBondContact O-CB 3.43Å; R293-E296 PolarHBondContact O-N 3.29Å; E296-I298 PolarHBondContact O-N 3.31Å; E296-L299 PolarHBondContact O-N 3.4Å; E296-A300 WeakPolarHBondContact O-CB 3.47Å; E296-A300 PolarHBondContact O-N 2.93Å; E296-L311 HydrophobicContact CB-CD1 4.28Å |
| 297 | D | 94.7 | Very high | 91.1 | Very high | 86 Ų | 86 | 55.5 Ų | 55.5 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59 | -47 | 176.6 | -64.1 | -28.5 | 0 | 0 | 0 | 111.2 | R293 T294 L299 A300 D301 | R293-D297 VanDerWaalsContact O-CG 3.22Å; R293-D297 PolarHBondContact O-N 2.87Å; T294-D297 PolarHBondContact O-N 3.43Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.28Å; D297-A300 PolarHBondContact O-N 3.37Å; D297-D301 PolarHBondContact O-N 2.92Å |
| 298 | I | 94.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.2 | -70.5 | 164.7 | 0 | 0 | 0 | 111.2 | A160 W161 Y164 T294 L295 E296 N302 | A160-I298 HydrophobicContact CB-CD1 4.04Å; W161-I298 HydrophobicContact CD2-CD1 3.76Å; W161-I298 HydrophobicContact CD2-CG1 4.39Å; W161-I298 HydrophobicContact CE3-CD1 4.15Å; W161-I298 HydrophobicContact CG-CD1 4.09Å; W161-I298 HydrophobicContact CH2-CD1 4.49Å; W161-I298 HydrophobicContact CH2-CG1 4.1Å; W161-I298 HydrophobicContact CZ2-CD1 4.15Å; W161-I298 HydrophobicContact CZ2-CG1 3.89Å; W161-I298 HydrophobicContact CZ3-CD1 4.49Å; W161-I298 HydrophobicContact CZ3-CG1 4.43Å; W161-I298 HydrophobicContact CZ3-CG2 4.33Å; Y164-I298 HydrophobicContact CD1-CG2 3.46Å; Y164-I298 VanDerWaalsContact CD1-CG2 3.46Å; Y164-I298 HydrophobicContact CD2-CG2 3.77Å; Y164-I298 HydrophobicContact CE1-CG2 3.83Å; Y164-I298 HydrophobicContact CE2-CG2 4.15Å; Y164-I298 HydrophobicContact CG-CG2 3.43Å; Y164-I298 VanDerWaalsContact CG-CG2 3.43Å; T294-I298 HydrophobicContact CG2-CD1 3.95Å; T294-I298 HydrophobicContact CG2-CG1 4.5Å; T294-I298 WeakPolarHBondContact O-CB 3.38Å; T294-I298 WeakPolarHBondContact O-CD1 3.41Å; T294-I298 WeakPolarHBondContact O-CG1 3.34Å; T294-I298 PolarHBondContact O-N 2.85Å; L295-I298 PolarHBondContact O-N 3.49Å; E296-I298 PolarHBondContact O-N 3.31Å; I298-N302 PolarHBondContact O-ND2 2.91Å |
| 299 | L | 94.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.3 | -35.6 | -179.5 | -70.5 | 172.4 | 0 | 0 | 0 | 112.1 | Y164 L168 L295 E296 D297 D301 N302 L311 | Y164-L299 HydrophobicContact CD2-CD2 4.24Å; Y164-L299 HydrophobicContact CE2-CD2 4.22Å; L168-L299 HydrophobicContact CD1-CD2 4.35Å; L295-L299 HydrophobicContact CD1-CD1 4.49Å; L295-L299 HydrophobicContact CD1-CG 4.48Å; L295-L299 HydrophobicContact CG-CD1 4.2Å; L295-L299 WeakPolarHBondContact O-CB 3.36Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 2.93Å; E296-L299 PolarHBondContact O-N 3.4Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.28Å; L299-D301 VanDerWaalsContact C-N 3.26Å; L299-D301 PolarHBondContact O-N 3.38Å; L299-N302 CarbonylContact O-C 3.33Å; L299-N302 PolarHBondContact O-N 2.95Å; L299-L311 HydrophobicContact CD1-CD1 4.02Å; L299-L311 HydrophobicContact CD1-CD2 3.99Å; L299-L311 HydrophobicContact CD1-CG 4.07Å |
| 300 | A | 91.5 | Very high | 90.8 | Very high | 51 Ų | 51 | 56 Ų | 56 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -36 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E296 D297 N302 | E296-A300 WeakPolarHBondContact O-CB 3.47Å; E296-A300 PolarHBondContact O-N 2.93Å; D297-A300 PolarHBondContact O-N 3.37Å; A300-N302 PolarHBondContact O-N 2.89Å |
| 301 | D | 90.7 | Very high | 90.9 | Very high | 135 Ų | 135 | 56.1 Ų | 56.1 | 72% | 0.722 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -7.6 | 175.1 | -70.5 | -19.3 | 0 | 0 | 0 | 113.5 | D297 L299 | D297-D301 PolarHBondContact O-N 2.92Å; L299-D301 VanDerWaalsContact C-N 3.26Å; L299-D301 PolarHBondContact O-N 3.38Å |
| 302 | N | 87 | Confident | 90.8 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | trans | -129.8 | 78.7 | -174.3 | -68.6 | -90.2 | 0 | 0 | 0 | 111.3 | Y164 I298 L299 A300 E304 S305 Q306 | Y164-N302 WeakPolarHBondContact OH-CB 3.45Å; Y164-N302 PolarHBondContact OH-ND2 3.21Å; Y164-N302 PolarHBondContact OH-OD1 3Å; I298-N302 PolarHBondContact O-ND2 2.91Å; L299-N302 CarbonylContact O-C 3.33Å; L299-N302 PolarHBondContact O-N 2.95Å; A300-N302 PolarHBondContact O-N 2.89Å; N302-E304 VanDerWaalsContact C-N 3.3Å; N302-E304 PolarHBondContact O-N 2.92Å; N302-E304 VanDerWaalsContact O-N 3.15Å; N302-S305 WeakPolarHBondContact O-CA 3.23Å; N302-S305 WeakPolarHBondContact O-CB 3.32Å; N302-S305 PolarHBondContact O-N 3.42Å; N302-Q306 PolarHBondContact O-N 2.87Å | ||
| 303 | P | 79.4 | Confident | 90.8 | Very high | 78 Ų | 78 | 58.7 Ų | 58.7 | 51% | 0.506 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.6 | -31 | -168.4 | 22.2 | -33.7 | 0 | 0 | 0 | 114.2 | S305 Q306 N307 | P303-S305 VanDerWaalsContact C-N 3.31Å; P303-S305 PolarHBondContact O-N 3.32Å; P303-Q306 PolarHBondContact O-N 3.49Å; P303-N307 WeakPolarHBondContact O-CB 3.32Å; P303-N307 VanDerWaalsContact O-CG 3.23Å; P303-N307 PolarHBondContact O-N 3Å; P303-N307 PolarHBondContact O-ND2 3.41Å; P303-N307 VanDerWaalsContact O-ND2 3.13Å |
| 304 | E | 79.9 | Confident | 90.7 | Very high | 159 Ų | 159 | 53.2 Ų | 53.2 | 74% | 0.743 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.6 | -35.3 | 173.8 | -68.8 | -170.7 | 170.9 | 0 | 0 | 112.6 | N302 N308 | N302-E304 VanDerWaalsContact C-N 3.3Å; N302-E304 PolarHBondContact O-N 2.92Å; N302-E304 VanDerWaalsContact O-N 3.15Å; E304-N308 PolarHBondContact O-ND2 3.18Å |
| 305 | S | 81.7 | Confident | 90.2 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.5 | -40.7 | 176.1 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | N302 P303 N307 N308 C309 | N302-S305 WeakPolarHBondContact O-CA 3.23Å; N302-S305 WeakPolarHBondContact O-CB 3.32Å; N302-S305 PolarHBondContact O-N 3.42Å; P303-S305 VanDerWaalsContact C-N 3.31Å; P303-S305 PolarHBondContact O-N 3.32Å; S305-N307 VanDerWaalsContact C-N 3.31Å; S305-N307 PolarHBondContact O-N 2.94Å; S305-N308 PolarHBondContact O-N 3.46Å; S305-N308 VanDerWaalsContact O-N 3.16Å; S305-C309 PolarHBondContact O-N 3.42Å; S305-C309 PolarHBondContact O-SG 3Å |
| 306 | Q | 81.8 | Confident | 88.9 | Confident | 94 Ų | 94 | 61.3 Ų | 61.3 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 178.2 | -165.7 | -179.6 | 20.8 | 0 | 0 | 112.5 | N302 P303 N308 | N302-Q306 PolarHBondContact O-N 2.87Å; P303-Q306 PolarHBondContact O-N 3.49Å; Q306-N308 PolarHBondContact O-N 3.05Å |
| 307 | N | 84.8 | Confident | 87.5 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.7 | -179.2 | -70 | -28.1 | 0 | 0 | 0 | 113.9 | R197 P303 S305 | R197-N307 WeakPolarHBondContact CD-O 3.49Å; R197-N307 WeakPolarHBondContact CG-O 3.5Å; R197-N307 PolarHBondContact NE-O 3.26Å; P303-N307 WeakPolarHBondContact O-CB 3.32Å; P303-N307 VanDerWaalsContact O-CG 3.23Å; P303-N307 PolarHBondContact O-N 3Å; P303-N307 PolarHBondContact O-ND2 3.41Å; P303-N307 VanDerWaalsContact O-ND2 3.13Å; S305-N307 VanDerWaalsContact C-N 3.31Å; S305-N307 PolarHBondContact O-N 2.94Å |
| 308 | N | 89.3 | Confident | 85.9 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -4 | -175.1 | -72 | -39.9 | 0 | 0 | 0 | 113.4 | L172 L175 Q176 R197 L198 E304 S305 Q306 | L172-N308 HydrophobicContact CB-CB 4.46Å; L172-N308 HydrophobicContact CD2-CB 4.36Å; L175-N308 VanDerWaalsContact CD2-O 3.28Å; L175-N308 WeakPolarHBondContact CD2-O 3.29Å; Q176-N308 PolarHBondContact NE2-OD1 3.29Å; R197-N308 WeakPolarHBondContact CA-O 3.47Å; L198-N308 PolarHBondContact N-O 3.47Å; E304-N308 PolarHBondContact O-ND2 3.18Å; S305-N308 PolarHBondContact O-N 3.46Å; S305-N308 VanDerWaalsContact O-N 3.16Å; Q306-N308 PolarHBondContact O-N 3.05Å |
| 309 | C | 93.4 | Very high | 84.1 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 159 | 175.6 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | L172 L198 I200 S305 | L172-C309 HydrophobicContact CD1-CB 4.28Å; L172-C309 HydrophobicContact CD2-CB 3.82Å; L198-C309 HydrophobicContact CB-CB 4.14Å; L198-C309 CarbonylContact O-C 3.46Å; L198-C309 WeakPolarHBondContact O-CA 3.37Å; L198-C309 WeakPolarHBondContact O-CB 3.18Å; I200-C309 HydrophobicContact CD1-CB 4.27Å; S305-C309 PolarHBondContact O-N 3.42Å; S305-C309 PolarHBondContact O-SG 3Å |
| 310 | R | 93.3 | Very high | 82.2 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 26% | 0.257 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.9 | 175.6 | -167.9 | 72.9 | -179.8 | -140.5 | -3.4 | 109.6 | L198 Y199 I200 E339 | L198-R310 PolarHBondContact O-N 3.07Å; Y199-R310 HydrophobicContact CD1-CB 3.72Å; Y199-R310 HydrophobicContact CD1-CG 4.22Å; Y199-R310 HydrophobicContact CE1-CB 3.83Å; Y199-R310 HydrophobicContact CE1-CG 4.14Å; I200-R310 PolarHBondContact N-O 3.36Å; R310-E339 IonicContact NH1-OE2 2.7Å |
| 311 | L | 95.8 | Very high | 80.7 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 129.2 | 174.4 | -55.9 | -174.1 | 0 | 0 | 0 | 109.6 | I200 L202 L295 E296 L299 | I200-L311 HydrophobicContact CB-CD2 4.14Å; I200-L311 HydrophobicContact CD1-CD2 4.09Å; L202-L311 HydrophobicContact CD1-CB 3.79Å; L202-L311 HydrophobicContact CD1-CD2 4.01Å; L202-L311 HydrophobicContact CD1-CG 4.4Å; L295-L311 HydrophobicContact CD2-CD1 4.35Å; L295-L311 HydrophobicContact CD2-CD2 3.96Å; L295-L311 HydrophobicContact CG-CD1 4.3Å; E296-L311 HydrophobicContact CB-CD1 4.28Å; L299-L311 HydrophobicContact CD1-CD1 4.02Å; L299-L311 HydrophobicContact CD1-CD2 3.99Å; L299-L311 HydrophobicContact CD1-CG 4.07Å |
| 312 | I | 95.9 | Very high | 79.8 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 98.3 | 174 | -57.8 | 179.6 | 0 | 0 | 0 | 107.7 | Y199 I200 L201 L202 Y314 E328 V329 H332 | Y199-I312 HydrophobicContact CD1-CD1 3.83Å; Y199-I312 HydrophobicContact CD1-CG1 4.41Å; Y199-I312 HydrophobicContact CG-CD1 4.4Å; I200-I312 PolarHBondContact O-N 3.14Å; L201-I312 HydrophobicContact CD2-CB 4.06Å; L201-I312 HydrophobicContact CD2-CD1 4.24Å; L201-I312 HydrophobicContact CD2-CG2 4.15Å; L202-I312 PolarHBondContact N-O 3.34Å; I312-Y314 HydrophobicContact CG2-CD1 4.37Å; I312-E328 HydrophobicContact CG2-CG 4.15Å; I312-V329 HydrophobicContact CD1-CB 4.42Å; I312-V329 HydrophobicContact CD1-CG1 4.32Å; I312-V329 HydrophobicContact CD1-CG2 4.01Å; I312-H332 HydrophobicContact CD1-CB 4.05Å; I312-H332 HydrophobicContact CG1-CB 4.39Å |
| 313 | V | 96 | Very high | 79.6 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 39% | 0.388 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.8 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 109 | L202 L204 C292 | L202-V313 HydrophobicContact CB-CB 4.49Å; L202-V313 HydrophobicContact CB-CG2 4.05Å; L202-V313 HydrophobicContact CD1-CG2 4.17Å; L204-V313 HydrophobicContact CD1-CG1 4.07Å; L204-V313 HydrophobicContact CD2-CG1 3.65Å; L204-V313 HydrophobicContact CG-CG1 3.77Å; C292-V313 HydrophobicContact CB-CG2 4.26Å |
| 314 | Y | 92.6 | Very high | 80.1 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 6% | 0.063 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 146.4 | 176.9 | 59.9 | -85.3 | 0 | 0 | 0 | 111.8 | L201 L202 P203 L204 Y261 I312 F323 L325 | L201-Y314 HydrophobicContact CB-CE1 4.16Å; L201-Y314 HydrophobicContact CD2-CE1 4.15Å; L202-Y314 PolarHBondContact O-N 3.33Å; P203-Y314 HydrophobicContact CB-CD2 4.47Å; P203-Y314 HydrophobicContact CB-CE1 4.29Å; P203-Y314 HydrophobicContact CB-CE2 3.73Å; L204-Y314 PolarHBondContact N-O 2.96Å; Y261-Y314 WeakPolarHBondContact CE1-OH 3.48Å; I312-Y314 HydrophobicContact CG2-CD1 4.37Å; Y314-F323 AromaticContact CD2-CE1 3.78Å; Y314-F323 HydrophobicContact CD2-CE1 3.78Å; Y314-F323 HydrophobicContact CD2-CE2 4.45Å; Y314-F323 AromaticContact CD2-CZ 3.47Å; Y314-F323 HydrophobicContact CD2-CZ 3.47Å; Y314-F323 VanDerWaalsContact CD2-CZ 3.47Å; Y314-F323 AromaticContact CE2-CE1 4Å; Y314-F323 HydrophobicContact CE2-CE1 4Å; Y314-F323 HydrophobicContact CE2-CZ 4.07Å; Y314-F323 AromaticContact CG-CZ 3.8Å; Y314-F323 HydrophobicContact CG-CZ 3.8Å; Y314-L325 HydrophobicContact CD1-CD1 4.26Å; Y314-L325 HydrophobicContact CE1-CD1 3.64Å; Y314-L325 HydrophobicContact CE2-CD1 4.26Å |
| 315 | P | 84.1 | Confident | 80.8 | Confident | 83 Ų | 83 | 64.1 Ų | 64.1 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 169.6 | 177.2 | 33.3 | -35.3 | 0 | 0 | 0 | 111.8 | ||
| 316 | E | 71.4 | Confident | 81.4 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 126.2 | 162.9 | -155.7 | 168.9 | 162.5 | 0 | 0 | 108.3 | D205 R281 A318 | D205-E316 HydrophobicContact CB-CB 3.92Å; D205-E316 HydrophobicContact CB-CG 3.91Å; R281-E316 IonicContact CZ-OE2 3.02Å; R281-E316 VanDerWaalsContact NH2-CD 3.28Å; R281-E316 IonicContact NH2-OE1 3.65Å; R281-E316 PolarHBondContact NH2-OE1 2.96Å; R281-E316 IonicContact NH2-OE2 3.53Å; R281-E316 PolarHBondContact NH2-OE2 2.89Å; E316-A318 PolarHBondContact O-N 3.33Å |
| 317 | P | 65.4 | Low | 81.9 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 38% | 0.377 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 128.8 | 173 | 25.9 | -32.4 | 0 | 0 | 0 | 108.6 | F323 | P317-F323 HydrophobicContact CB-CB 3.54Å; P317-F323 HydrophobicContact CB-CD1 3.93Å; P317-F323 HydrophobicContact CB-CG 3.93Å; P317-F323 HydrophobicContact CG-CD1 4.15Å |
| 318 | A | 61.8 | Low | 82.4 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 145.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | E316 D320 S321 | E316-A318 PolarHBondContact O-N 3.33Å; A318-D320 PolarHBondContact O-N 2.9Å; A318-S321 PolarHBondContact N-OG 3.5Å; A318-S321 VanDerWaalsContact N-OG 3.17Å; A318-S321 WeakPolarHBondContact O-CB 3.14Å; A318-S321 PolarHBondContact O-N 3.02Å; A318-S321 PolarHBondContact O-OG 2.89Å |
| 319 | D | 56.4 | Low | 82.6 | Confident | 173 Ų | 173 | 59.4 Ų | 59.4 | 93% | 0.925 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -22.8 | -175.8 | -70.3 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 320 | D | 54.8 | Low | 82.6 | Confident | 169 Ų | 169 | 59.2 Ų | 59.2 | 90% | 0.904 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2.4 | 178.2 | -68.9 | -35.1 | 0 | 0 | 0 | 114.6 | A318 | A318-D320 PolarHBondContact O-N 2.9Š|
| 321 | S | 59 | Low | 82.6 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | trans | -94 | 129.2 | -177.8 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | A318 F323 | A318-S321 PolarHBondContact N-OG 3.5Å; A318-S321 VanDerWaalsContact N-OG 3.17Å; A318-S321 WeakPolarHBondContact O-CB 3.14Å; A318-S321 PolarHBondContact O-N 3.02Å; A318-S321 PolarHBondContact O-OG 2.89Å; S321-F323 PolarHBondContact O-N 3.3Å | ||
| 322 | S | 71.7 | Confident | 82.4 | Confident | 128 Ų | 128 | 63.4 Ų | 63.4 | 90% | 0.895 | 35% | 0.351 | S | S | * | . | trans | -73 | 48.4 | 168.4 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | S324 | S322-S324 PolarHBondContact O-N 3.31Š| ||
| 323 | F | 83.9 | Confident | 82.1 | Confident | 70 Ų | 70 | 64 Ų | 64 | 31% | 0.307 | 35% | 0.354 | S | S | . | . | trans | -68.8 | 124.8 | 179.3 | 178.6 | -103.2 | 0 | 0 | 0 | 109.1 | Y314 P317 S321 L325 E328 | Y314-F323 AromaticContact CD2-CE1 3.78Å; Y314-F323 HydrophobicContact CD2-CE1 3.78Å; Y314-F323 HydrophobicContact CD2-CE2 4.45Å; Y314-F323 AromaticContact CD2-CZ 3.47Å; Y314-F323 HydrophobicContact CD2-CZ 3.47Å; Y314-F323 VanDerWaalsContact CD2-CZ 3.47Å; Y314-F323 AromaticContact CE2-CE1 4Å; Y314-F323 HydrophobicContact CE2-CE1 4Å; Y314-F323 HydrophobicContact CE2-CZ 4.07Å; Y314-F323 AromaticContact CG-CZ 3.8Å; Y314-F323 HydrophobicContact CG-CZ 3.8Å; P317-F323 HydrophobicContact CB-CB 3.54Å; P317-F323 HydrophobicContact CB-CD1 3.93Å; P317-F323 HydrophobicContact CB-CG 3.93Å; P317-F323 HydrophobicContact CG-CD1 4.15Å; S321-F323 PolarHBondContact O-N 3.3Å; F323-L325 HydrophobicContact CE1-CB 4.34Å; F323-L325 HydrophobicContact CZ-CD1 4.49Å; F323-E328 HydrophobicContact CE2-CB 4.28Å; F323-E328 HydrophobicContact CE2-CG 4.49Å; F323-E328 HydrophobicContact CZ-CB 4.42Å | ||
| 324 | S | 90.1 | Very high | 81.8 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 20% | 0.203 | 35% | 0.352 | C | S | . | . | trans | -121.6 | 121.7 | 172.4 | 168.3 | 0 | 0 | 0 | 0 | 108.6 | D216 S322 S326 Q327 E328 | D216-S324 PolarHBondContact OD2-OG 3.35Å; S322-S324 PolarHBondContact O-N 3.31Å; S324-S326 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 2.94Å; S324-S326 PolarHBondContact OG-OG 3.38Å; S324-Q327 PolarHBondContact O-N 2.93Å; S324-Q327 PolarHBondContact OG-N 3.4Å; S324-E328 PolarHBondContact O-N 2.83Å; S324-E328 VanDerWaalsContact O-N 3.08Å | ||
| 325 | L | 93.2 | Very high | 81.6 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.2 | -178.9 | 60.4 | 0 | 0 | 0 | 111 | L201 L212 A215 D216 I219 Y314 F323 Q327 E328 V329 | L201-L325 HydrophobicContact CD1-CD1 4.32Å; L201-L325 HydrophobicContact CD1-CD2 4.03Å; L201-L325 HydrophobicContact CD2-CD1 3.98Å; L212-L325 HydrophobicContact CD2-CD2 4.13Å; A215-L325 HydrophobicContact CB-CD2 4.25Å; D216-L325 HydrophobicContact CB-CB 4.11Å; D216-L325 PolarHBondContact OD2-N 2.92Å; I219-L325 HydrophobicContact CD1-CB 4.09Å; I219-L325 HydrophobicContact CD1-CD2 3.73Å; I219-L325 HydrophobicContact CD1-CG 3.7Å; Y314-L325 HydrophobicContact CD1-CD1 4.26Å; Y314-L325 HydrophobicContact CE1-CD1 3.64Å; Y314-L325 HydrophobicContact CE2-CD1 4.26Å; F323-L325 HydrophobicContact CE1-CB 4.34Å; F323-L325 HydrophobicContact CZ-CD1 4.49Å; L325-Q327 VanDerWaalsContact C-N 3.3Å; L325-Q327 PolarHBondContact O-N 3.38Å; L325-E328 PolarHBondContact O-N 3.32Å; L325-V329 HydrophobicContact CD1-CG2 4.41Å; L325-V329 WeakPolarHBondContact O-CG2 3.34Å; L325-V329 PolarHBondContact O-N 3.22Å |
| 326 | S | 94.1 | Very high | 81.5 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.9 | 64 | 0 | 0 | 0 | 0 | 112 | D216 N218 S324 V329 L330 | D216-S326 WeakPolarHBondContact OD2-CB 3.45Å; D216-S326 PolarHBondContact OD2-N 3.44Å; D216-S326 PolarHBondContact OD2-OG 2.66Å; N218-S326 WeakPolarHBondContact CB-OG 3.47Å; S324-S326 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 2.94Å; S324-S326 PolarHBondContact OG-OG 3.38Å; S326-V329 PolarHBondContact O-N 2.99Å; S326-L330 WeakPolarHBondContact O-CB 3.28Å; S326-L330 VanDerWaalsContact O-CG 3.27Å; S326-L330 WeakPolarHBondContact O-CG 3.27Å; S326-L330 PolarHBondContact O-N 3.39Å |
| 327 | Q | 93.4 | Very high | 82 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 176 | -71.6 | -65.1 | -32.5 | 0 | 0 | 112.7 | E249 S324 L325 L330 R331 | E249-Q327 PolarHBondContact OE1-NE2 3.44Å; E249-Q327 VanDerWaalsContact OE1-NE2 3.08Å; E249-Q327 PolarHBondContact OE1-OE1 3.17Å; S324-Q327 PolarHBondContact O-N 2.93Å; S324-Q327 PolarHBondContact OG-N 3.4Å; L325-Q327 VanDerWaalsContact C-N 3.3Å; L325-Q327 PolarHBondContact O-N 3.38Å; Q327-L330 PolarHBondContact O-N 2.91Å; Q327-R331 WeakPolarHBondContact O-CB 3.21Å; Q327-R331 PolarHBondContact O-N 3Å |
| 328 | E | 94.1 | Very high | 82.7 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 175.8 | -169.2 | 57.9 | -147.1 | 0 | 0 | 111.1 | I312 F323 S324 L325 R331 H332 | I312-E328 HydrophobicContact CG2-CG 4.15Å; F323-E328 HydrophobicContact CE2-CB 4.28Å; F323-E328 HydrophobicContact CE2-CG 4.49Å; F323-E328 HydrophobicContact CZ-CB 4.42Å; S324-E328 PolarHBondContact O-N 2.83Å; S324-E328 VanDerWaalsContact O-N 3.08Å; L325-E328 PolarHBondContact O-N 3.32Å; E328-R331 WeakPolarHBondContact O-CB 3.27Å; E328-R331 PolarHBondContact O-N 3.13Å; E328-H332 PolarHBondContact O-CD2 3.09Å; E328-H332 VanDerWaalsContact O-CD2 3.32Å; E328-H332 PolarHBondContact O-N 3.45Å; E328-H332 VanDerWaalsContact O-N 3.16Å; E328-H332 IonicContact OE1-CD2 2.99Å; E328-H332 IonicContact OE1-NE2 2.76Å |
| 329 | V | 94.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | L201 L247 L259 I312 L325 S326 R331 H332 L333 | L201-V329 HydrophobicContact CD2-CG2 3.87Å; L247-V329 HydrophobicContact CD1-CB 4.12Å; L247-V329 HydrophobicContact CD1-CG1 3.55Å; L247-V329 HydrophobicContact CD2-CG1 4.48Å; L259-V329 HydrophobicContact CD1-CG1 4.27Å; L259-V329 HydrophobicContact CD1-CG2 4.22Å; L259-V329 HydrophobicContact CD2-CG2 4.32Å; I312-V329 HydrophobicContact CD1-CB 4.42Å; I312-V329 HydrophobicContact CD1-CG1 4.32Å; I312-V329 HydrophobicContact CD1-CG2 4.01Å; L325-V329 HydrophobicContact CD1-CG2 4.41Å; L325-V329 WeakPolarHBondContact O-CG2 3.34Å; L325-V329 PolarHBondContact O-N 3.22Å; S326-V329 PolarHBondContact O-N 2.99Å; V329-R331 VanDerWaalsContact C-N 3.28Å; V329-R331 PolarHBondContact O-N 3.19Å; V329-H332 WeakPolarHBondContact O-CB 3.5Å; V329-H332 PolarHBondContact O-N 3Å; V329-H332 VanDerWaalsContact O-N 3.08Å; V329-L333 HydrophobicContact CG1-CD1 3.68Å; V329-L333 WeakPolarHBondContact O-CD1 3.37Å; V329-L333 PolarHBondContact O-N 2.99Å |
| 330 | L | 93.4 | Very high | 84.1 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 176.2 | -78.4 | 171 | 0 | 0 | 0 | 112.7 | L247 E249 A254 S326 Q327 H332 L333 R334 | L247-L330 HydrophobicContact CB-CD1 4.39Å; L247-L330 HydrophobicContact CB-CD2 3.9Å; L247-L330 HydrophobicContact CB-CG 4.03Å; L247-L330 HydrophobicContact CD1-CD2 3.88Å; L247-L330 HydrophobicContact CD1-CG 3.97Å; E249-L330 HydrophobicContact CB-CD1 4.35Å; A254-L330 HydrophobicContact CB-CD1 3.84Å; A254-L330 HydrophobicContact CB-CD2 3.75Å; A254-L330 HydrophobicContact CB-CG 4.48Å; S326-L330 WeakPolarHBondContact O-CB 3.28Å; S326-L330 VanDerWaalsContact O-CG 3.27Å; S326-L330 WeakPolarHBondContact O-CG 3.27Å; S326-L330 PolarHBondContact O-N 3.39Å; Q327-L330 PolarHBondContact O-N 2.91Å; L330-H332 VanDerWaalsContact C-N 3.35Å; L330-L333 PolarHBondContact O-N 3.48Å; L330-R334 WeakPolarHBondContact O-CB 3.42Å; L330-R334 WeakPolarHBondContact O-CD 3.49Å; L330-R334 WeakPolarHBondContact O-CG 3.36Å; L330-R334 PolarHBondContact O-N 3.38Å |
| 331 | R | 92.8 | Very high | 84.6 | Confident | 159 Ų | 159 | 62 Ų | 62 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.3 | -46.4 | 174.4 | 177.4 | -172.3 | 173.9 | 139.9 | 0.8 | 111 | Q327 E328 V329 R334 Q335 | Q327-R331 WeakPolarHBondContact O-CB 3.21Å; Q327-R331 PolarHBondContact O-N 3Å; E328-R331 WeakPolarHBondContact O-CB 3.27Å; E328-R331 PolarHBondContact O-N 3.13Å; V329-R331 VanDerWaalsContact C-N 3.28Å; V329-R331 PolarHBondContact O-N 3.19Å; R331-R334 PolarHBondContact O-N 2.94Å; R331-Q335 WeakPolarHBondContact O-CB 3.38Å; R331-Q335 PolarHBondContact O-N 3.34Å |
| 332 | H | 92.3 | Very high | 84.7 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 177.2 | -84.7 | -87.4 | 0 | 0 | 0 | 112.5 | I312 E328 V329 L330 Q335 E336 | I312-H332 HydrophobicContact CD1-CB 4.05Å; I312-H332 HydrophobicContact CG1-CB 4.39Å; E328-H332 PolarHBondContact O-CD2 3.09Å; E328-H332 VanDerWaalsContact O-CD2 3.32Å; E328-H332 PolarHBondContact O-N 3.45Å; E328-H332 VanDerWaalsContact O-N 3.16Å; E328-H332 IonicContact OE1-CD2 2.99Å; E328-H332 IonicContact OE1-NE2 2.76Å; V329-H332 WeakPolarHBondContact O-CB 3.5Å; V329-H332 PolarHBondContact O-N 3Å; V329-H332 VanDerWaalsContact O-N 3.08Å; L330-H332 VanDerWaalsContact C-N 3.35Å; H332-Q335 PolarHBondContact O-N 2.96Å; H332-E336 PolarHBondContact O-N 2.69Å; H332-E336 VanDerWaalsContact O-N 3.11Å |
| 333 | L | 90 | Very high | 84.2 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 174.9 | -89.9 | 67 | 0 | 0 | 0 | 111.2 | V194 Y199 L247 C257 V329 L330 Q335 E336 E337 | V194-L333 HydrophobicContact CG1-CB 3.87Å; V194-L333 HydrophobicContact CG1-CG 3.86Å; V194-L333 VanDerWaalsContact CG1-O 3.24Å; V194-L333 WeakPolarHBondContact CG1-O 3.3Å; Y199-L333 HydrophobicContact CD1-CD1 4.31Å; Y199-L333 HydrophobicContact CD2-CD1 4.25Å; Y199-L333 HydrophobicContact CE1-CD1 3.86Å; Y199-L333 HydrophobicContact CE2-CD1 3.76Å; Y199-L333 HydrophobicContact CE2-CG 4.29Å; Y199-L333 HydrophobicContact CG-CD1 4.48Å; L247-L333 HydrophobicContact CD1-CD2 4.1Å; C257-L333 HydrophobicContact CB-CD1 4.28Å; C257-L333 HydrophobicContact CB-CD2 4.21Å; V329-L333 HydrophobicContact CG1-CD1 3.68Å; V329-L333 WeakPolarHBondContact O-CD1 3.37Å; V329-L333 PolarHBondContact O-N 2.99Å; L330-L333 PolarHBondContact O-N 3.48Å; L333-Q335 VanDerWaalsContact C-N 3.3Å; L333-Q335 PolarHBondContact O-N 3.48Å; L333-E336 PolarHBondContact O-N 3.32Å; L333-E337 PolarHBondContact O-N 3.2Å |
| 334 | R | 89.3 | Confident | 82.8 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -34.2 | -179.7 | -69.9 | 165.2 | -178.2 | 161.9 | -2.6 | 112.7 | E249 L330 R331 K338 | E249-R334 IonicContact OE1-CZ 3.14Å; E249-R334 IonicContact OE1-NH1 3.87Å; E249-R334 PolarHBondContact OE1-NH1 2.95Å; E249-R334 IonicContact OE1-NH2 2.8Å; E249-R334 PolarHBondContact OE1-NH2 3.45Å; E249-R334 IonicContact OE2-CZ 2.67Å; E249-R334 IonicContact OE2-NH2 3.68Å; E249-R334 PolarHBondContact OE2-NH2 2.93Å; L330-R334 WeakPolarHBondContact O-CB 3.42Å; L330-R334 WeakPolarHBondContact O-CD 3.49Å; L330-R334 WeakPolarHBondContact O-CG 3.36Å; L330-R334 PolarHBondContact O-N 3.38Å; R331-R334 PolarHBondContact O-N 2.94Å; R334-K338 WeakPolarHBondContact O-CG 3.39Å; R334-K338 PolarHBondContact O-N 2.93Å |
| 335 | Q | 87.1 | Confident | 80.8 | Confident | 77 Ų | 77 | 62 Ų | 62 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 176.6 | 177.3 | 173.7 | -10.1 | 0 | 0 | 111 | R331 H332 L333 E337 K338 E339 | R331-Q335 WeakPolarHBondContact O-CB 3.38Å; R331-Q335 PolarHBondContact O-N 3.34Å; H332-Q335 PolarHBondContact O-N 2.96Å; L333-Q335 VanDerWaalsContact C-N 3.3Å; L333-Q335 PolarHBondContact O-N 3.48Å; Q335-E337 VanDerWaalsContact C-N 3.33Å; Q335-E337 PolarHBondContact O-N 3.44Å; Q335-K338 WeakPolarHBondContact O-CB 3.36Å; Q335-K338 PolarHBondContact O-N 3.36Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.43Å; Q335-E339 PolarHBondContact NE2-OE1 3.43Å; Q335-E339 WeakPolarHBondContact O-CG 3.47Å; Q335-E339 PolarHBondContact O-N 3.3Å; Q335-E339 VanDerWaalsContact O-N 3.07Å |
| 336 | E | 82.6 | Confident | 78.7 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 179.4 | -170.7 | 176 | 165.2 | 0 | 0 | 111.9 | V194 R197 Y199 H332 L333 K338 E339 E340 | V194-E336 HydrophobicContact CB-CG 4.46Å; V194-E336 HydrophobicContact CG1-CB 4.07Å; V194-E336 HydrophobicContact CG1-CG 4.35Å; V194-E336 HydrophobicContact CG2-CB 4.12Å; V194-E336 HydrophobicContact CG2-CG 4.1Å; R197-E336 WeakPolarHBondContact CD-OE1 3.44Å; R197-E336 IonicContact CZ-OE1 2.69Å; R197-E336 IonicContact NE-OE1 3.94Å; R197-E336 PolarHBondContact NE-OE1 2.92Å; R197-E336 IonicContact NH1-OE1 3.82Å; R197-E336 PolarHBondContact NH1-OE1 3.43Å; R197-E336 IonicContact NH1-OE2 3.9Å; R197-E336 PolarHBondContact NH1-OE2 3.46Å; R197-E336 IonicContact NH2-OE1 3.74Å; Y199-E336 PolarHBondContact OH-OE2 3.38Å; H332-E336 PolarHBondContact O-N 2.69Å; H332-E336 VanDerWaalsContact O-N 3.11Å; L333-E336 PolarHBondContact O-N 3.32Å; E336-K338 VanDerWaalsContact C-N 3.27Å; E336-K338 PolarHBondContact O-N 2.78Å; E336-E339 PolarHBondContact O-N 3.35Å; E336-E340 PolarHBondContact O-N 3.36Å |
| 337 | E | 81.5 | Confident | 76.4 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 175.4 | -158.3 | 174.4 | -174.9 | 0 | 0 | 111.5 | V194 L333 Q335 V341 | V194-E337 HydrophobicContact CG2-CB 3.64Å; V194-E337 HydrophobicContact CG2-CG 4.07Å; L333-E337 PolarHBondContact O-N 3.2Å; Q335-E337 VanDerWaalsContact C-N 3.33Å; Q335-E337 PolarHBondContact O-N 3.44Å; E337-V341 WeakPolarHBondContact O-CB 3.37Å; E337-V341 WeakPolarHBondContact O-CG2 3.27Å; E337-V341 PolarHBondContact O-N 2.88Å |
| 338 | K | 81.4 | Confident | 73.9 | Confident | 151 Ų | 151 | 78.3 Ų | 78.3 | 66% | 0.657 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 177.7 | -70 | 173.4 | -177.3 | -179 | 0 | 112.1 | R334 Q335 E336 T342 | R334-K338 WeakPolarHBondContact O-CG 3.39Å; R334-K338 PolarHBondContact O-N 2.93Å; Q335-K338 WeakPolarHBondContact O-CB 3.36Å; Q335-K338 PolarHBondContact O-N 3.36Å; E336-K338 VanDerWaalsContact C-N 3.27Å; E336-K338 PolarHBondContact O-N 2.78Å; K338-T342 WeakPolarHBondContact O-CB 3.13Å; K338-T342 PolarHBondContact O-N 3Å; K338-T342 VanDerWaalsContact O-N 3.11Å; K338-T342 PolarHBondContact O-OG1 3.42Å |
| 339 | E | 78.1 | Confident | 71.5 | Confident | 83 Ų | 83 | 81 Ų | 81 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 178.7 | -73 | 171.9 | -168.8 | 0 | 0 | 110.6 | R310 Q335 E336 T342 V343 | R310-E339 IonicContact NH1-OE2 2.7Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.43Å; Q335-E339 PolarHBondContact NE2-OE1 3.43Å; Q335-E339 WeakPolarHBondContact O-CG 3.47Å; Q335-E339 PolarHBondContact O-N 3.3Å; Q335-E339 VanDerWaalsContact O-N 3.07Å; E336-E339 PolarHBondContact O-N 3.35Å; E339-T342 PolarHBondContact O-N 3.5Å; E339-V343 WeakPolarHBondContact O-CG2 3.49Å; E339-V343 PolarHBondContact O-N 3.07Å; E339-V343 VanDerWaalsContact O-N 3.17Å |
| 340 | E | 69.7 | Low | 68.9 | Low | 64 Ų | 64 | 84.5 Ų | 84.5 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.9 | -41.3 | 179.9 | -70.1 | -172.8 | 146.9 | 0 | 0 | 113.8 | A193 V194 E336 T342 V343 G344 | A193-E340 WeakPolarHBondContact CA-OE2 3.39Å; A193-E340 VanDerWaalsContact CB-CD 3.44Å; A193-E340 WeakPolarHBondContact CB-OE1 3.37Å; A193-E340 WeakPolarHBondContact CB-OE2 3.49Å; V194-E340 PolarHBondContact N-OE2 3.44Å; E336-E340 PolarHBondContact O-N 3.36Å; E340-T342 VanDerWaalsContact C-N 3.26Å; E340-T342 PolarHBondContact O-N 3.06Å; E340-V343 PolarHBondContact O-N 3.08Å; E340-G344 PolarHBondContact O-N 3.37Å |
| 341 | V | 64 | Low | 66 | Low | 99 Ų | 99 | 90 Ų | 90 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.3 | -38.6 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | E337 G344 S345 | E337-V341 WeakPolarHBondContact O-CB 3.37Å; E337-V341 WeakPolarHBondContact O-CG2 3.27Å; E337-V341 PolarHBondContact O-N 2.88Å; V341-G344 PolarHBondContact O-N 3.48Å; V341-S345 WeakPolarHBondContact O-CB 3.45Å; V341-S345 PolarHBondContact O-N 3.49Å |
| 342 | T | 62.2 | Low | 63.2 | Low | 94 Ų | 94 | 87.6 Ų | 87.6 | 58% | 0.577 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 178.3 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | K338 E339 E340 S345 L346 | K338-T342 WeakPolarHBondContact O-CB 3.13Å; K338-T342 PolarHBondContact O-N 3Å; K338-T342 VanDerWaalsContact O-N 3.11Å; K338-T342 PolarHBondContact O-OG1 3.42Å; E339-T342 PolarHBondContact O-N 3.5Å; E340-T342 VanDerWaalsContact C-N 3.26Å; E340-T342 PolarHBondContact O-N 3.06Å; T342-S345 PolarHBondContact O-N 3.35Å; T342-L346 PolarHBondContact O-N 2.84Å; T342-L346 VanDerWaalsContact O-N 3.07Å |
| 343 | V | 59.9 | Low | 60.6 | Low | 85 Ų | 85 | 91.4 Ų | 91.4 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | E339 E340 L346 K347 | E339-V343 WeakPolarHBondContact O-CG2 3.49Å; E339-V343 PolarHBondContact O-N 3.07Å; E339-V343 VanDerWaalsContact O-N 3.17Å; E340-V343 PolarHBondContact O-N 3.08Å; V343-L346 PolarHBondContact O-N 3.35Å; V343-K347 PolarHBondContact O-N 2.91Å; V343-K347 VanDerWaalsContact O-N 3.08Å |
| 344 | G | 54.3 | Low | 57.6 | Low | 30 Ų | 30 | 96.9 Ų | 96.9 | 31% | 0.309 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E340 V341 L346 K347 N348 | E340-G344 PolarHBondContact O-N 3.37Å; V341-G344 PolarHBondContact O-N 3.48Å; G344-L346 VanDerWaalsContact C-N 3.35Å; G344-L346 PolarHBondContact O-N 2.87Å; G344-K347 PolarHBondContact O-N 2.93Å; G344-N348 WeakPolarHBondContact O-CB 3.49Å; G344-N348 VanDerWaalsContact O-CG 3.3Å; G344-N348 PolarHBondContact O-N 3.29Å |
| 345 | S | 48.7 | Very low | 54.9 | Low | 77 Ų | 77 | 97.7 Ų | 97.7 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.9 | -37.5 | 175 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | V341 T342 N348 S349 | V341-S345 WeakPolarHBondContact O-CB 3.45Å; V341-S345 PolarHBondContact O-N 3.49Å; T342-S345 PolarHBondContact O-N 3.35Å; S345-N348 PolarHBondContact O-N 3.17Å; S345-S349 WeakPolarHBondContact O-CB 3.39Å; S345-S349 PolarHBondContact O-N 2.7Å |
| 346 | L | 49.1 | Very low | 52.2 | Low | 137 Ų | 137 | 100.2 Ų | 100.2 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.2 | -37.6 | 177.6 | -154.4 | 78.1 | 0 | 0 | 0 | 112 | T342 V343 G344 | T342-L346 PolarHBondContact O-N 2.84Å; T342-L346 VanDerWaalsContact O-N 3.07Å; V343-L346 PolarHBondContact O-N 3.35Å; G344-L346 VanDerWaalsContact C-N 3.35Å; G344-L346 PolarHBondContact O-N 2.87Å |
| 347 | K | 45.2 | Very low | 49.8 | Very low | 150 Ų | 150 | 108.8 Ų | 108.8 | 65% | 0.652 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.3 | -37.8 | 174.2 | -77.2 | -178.5 | 177.4 | 178.9 | 0 | 112.6 | V343 G344 A350 | V343-K347 PolarHBondContact O-N 2.91Å; V343-K347 VanDerWaalsContact O-N 3.08Å; G344-K347 PolarHBondContact O-N 2.93Å; K347-A350 PolarHBondContact O-N 3.45Å |
| 348 | N | 42.2 | Very low | 47.4 | Very low | 136 Ų | 136 | 109.3 Ų | 109.3 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.2 | -23.6 | 179.4 | -70.4 | -2.4 | 0 | 0 | 0 | 113.2 | G344 S345 A350 | G344-N348 WeakPolarHBondContact O-CB 3.49Å; G344-N348 VanDerWaalsContact O-CG 3.3Å; G344-N348 PolarHBondContact O-N 3.29Å; S345-N348 PolarHBondContact O-N 3.17Å; N348-A350 VanDerWaalsContact C-N 3.31Å |
| 349 | S | 43.9 | Very low | 45.1 | Very low | 105 Ų | 105 | 110.8 Ų | 110.8 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -5.7 | 176.2 | -160.1 | 0 | 0 | 0 | 0 | 113.8 | S345 | S345-S349 WeakPolarHBondContact O-CB 3.39Å; S345-S349 PolarHBondContact O-N 2.7Å |
| 350 | A | 38.6 | Very low | 43 | Very low | 74 Ų | 74 | 115.4 Ų | 115.4 | 61% | 0.612 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 10.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K347 N348 | K347-A350 PolarHBondContact O-N 3.45Å; N348-A350 VanDerWaalsContact C-N 3.31Å |
| 351 | V | 33.6 | Very low | 41.2 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | trans | -117.7 | 98.7 | 176.8 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 352 | P | 33.8 | Very low | 39.6 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | trans | -78.8 | 120.6 | 153.3 | 5.1 | 13.2 | 0 | 0 | 0 | 108.2 | T354 | P352-T354 PolarHBondContact O-N 3.1Š| ||
| 353 | S | 37.6 | Very low | 38.1 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | -65.1 | 108 | 164.7 | 48 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 354 | T | 27.6 | Very low | 36.9 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | -138.4 | 109.2 | 156.5 | 42.4 | 0 | 0 | 0 | 0 | 110.5 | P352 | P352-T354 PolarHBondContact O-N 3.1Š| ||
| 355 | S | 32.3 | Very low | 36.1 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -53.2 | 130.9 | 151 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 356 | T | 30.4 | Very low | 35.5 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | 155.1 | 125.1 | 131.1 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 357 | M | 32.3 | Very low | 34.8 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | 6.5 | 121.7 | 163.7 | -66.1 | -135.8 | 133.6 | 0 | 0 | 119.1 | ||||
| 358 | S | 31.5 | Very low | 34.2 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -155.5 | 142.6 | 141.3 | -159 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 359 | Q | 32.8 | Very low | 33.9 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -64.6 | 141.7 | -166.8 | -69.6 | 160.8 | -48.9 | 0 | 0 | 113.4 | ||||
| 360 | E | 32.4 | Very low | 33.9 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -67.8 | 127.2 | 170.3 | -170.7 | 171 | -150.9 | 0 | 0 | 110.1 | ||||
| 361 | P | 32.5 | Very low | 34 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | trans | -86.3 | 110.9 | 165.8 | 29.3 | -24.1 | 0 | 0 | 0 | 109.4 | L363 | P361-L363 PolarHBondContact O-N 3.26Å; P361-L363 VanDerWaalsContact O-N 3.16Å | ||
| 362 | E | 31.6 | Very low | 34.4 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -58.7 | 110.3 | 164.2 | -80.4 | -178.2 | 140.9 | 0 | 0 | 109.8 | ||||
| 363 | L | 29.6 | Very low | 34.8 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -97.5 | 94.7 | 162.4 | -86.5 | 162.7 | 0 | 0 | 0 | 108.7 | P361 I365 | P361-L363 PolarHBondContact O-N 3.26Å; P361-L363 VanDerWaalsContact O-N 3.16Å; L363-I365 PolarHBondContact O-N 3.39Å; L363-I365 VanDerWaalsContact O-N 3.15Å | ||
| 364 | L | 35.5 | Very low | 34.7 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -64.7 | 102.5 | 164 | -77.8 | 163.1 | 0 | 0 | 0 | 109.3 | ||||
| 365 | I | 36.9 | Very low | 35.2 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -117.3 | 104.2 | 159.5 | -58 | -177 | 0 | 0 | 0 | 108.3 | L363 | L363-I365 PolarHBondContact O-N 3.39Å; L363-I365 VanDerWaalsContact O-N 3.15Å | ||
| 366 | S | 36.2 | Very low | 35.8 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -54.5 | 134.9 | 167.4 | 160.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 367 | G | 34.6 | Very low | 36.5 | Very low | 71 Ų | 71 | 151.2 Ų | 151.2 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | 142.3 | 73.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E369 | G367-E369 PolarHBondContact O-N 2.97Š| ||
| 368 | M | 31.5 | Very low | 36.8 | Very low | 161 Ų | 161 | 152 Ų | 152 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -71.4 | 117.3 | 165.3 | -69.9 | 177.8 | 75.4 | 0 | 0 | 110.1 | K370 | M368-K370 HydrophobicContact CE-CG 4.21Š| ||
| 369 | E | 37.9 | Very low | 37.3 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | -104 | 104.8 | 152.2 | -84.5 | -173.7 | 161.5 | 0 | 0 | 108.4 | G367 | G367-E369 PolarHBondContact O-N 2.97Š| ||
| 370 | K | 42 | Very low | 37.5 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 70% | 0.696 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 140.7 | 168 | -70.8 | 176.2 | 178.3 | 176.2 | 0 | 108.6 | M368 L372 | M368-K370 HydrophobicContact CE-CG 4.21Å; K370-L372 PolarHBondContact O-N 3.01Å |
| 371 | P | 40.7 | Very low | 37.8 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 131 | 171.1 | 25.3 | -30.5 | 0 | 0 | 0 | 110.6 | ||
| 372 | L | 43.4 | Very low | 38 | Very low | 165 Ų | 165 | 155.2 Ų | 155.2 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 142.4 | 175.4 | -79.9 | 132.6 | 0 | 0 | 0 | 111.2 | K370 | K370-L372 PolarHBondContact O-N 3.01Š|
| 373 | P | 41.4 | Very low | 38.4 | Very low | 120 Ų | 120 | 154.2 Ų | 154.2 | 78% | 0.779 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 142 | 175.5 | 28.3 | -32 | 0 | 0 | 0 | 112.1 | R375 | P373-R375 PolarHBondContact O-N 2.8Š|
| 374 | L | 36.3 | Very low | 39 | Very low | 170 Ų | 170 | 154.2 Ų | 154.2 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 118.9 | 172.7 | -82.6 | 141.3 | 0 | 0 | 0 | 110.7 | ||
| 375 | R | 38.5 | Very low | 39.2 | Very low | 224 Ų | 224 | 153.7 Ų | 153.7 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | trans | -80.4 | 114.5 | 171.1 | -138.9 | 179.3 | -171.4 | 162.5 | 2.7 | 108.5 | P373 D377 | P373-R375 PolarHBondContact O-N 2.8Å; R375-D377 IonicContact NE-OD2 3.61Å | ||
| 376 | T | 43.4 | Very low | 39.4 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 71% | 0.712 | 85% | 0.845 | S | S | * | * | trans | -95.9 | 100.3 | 166.4 | 47.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 377 | D | 45.4 | Very low | 39.6 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 68% | 0.684 | 84% | 0.844 | S | S | * | * | trans | -113.6 | 106.3 | 165.5 | -68.7 | -34.6 | 0 | 0 | 0 | 107.8 | R375 | R375-D377 IonicContact NE-OD2 3.61Š| ||
| 378 | F | 37.9 | Very low | 40 | Very low | 200 Ų | 200 | 163.4 Ų | 163.4 | 88% | 0.877 | 85% | 0.854 | S | S | * | * | trans | -79.6 | 130.6 | 161.1 | -79 | -86.6 | 0 | 0 | 0 | 108.1 | ||||
| 379 | S | 42.1 | Very low | 40.8 | Very low | 196 Ų | 196 | 163.6 Ų | 163.6 | 100% | 1.371 | 86% | 0.859 | S | S | * | * | trans | -149.6 | 0 | 157.3 | -62.5 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 379 of 379 residues in 215 ms
(Link to these results)