| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 82.4 | Confident | 222 Ų | 222 | 152.2 Ų | 152.2 | 100% | 1.094 | 74% | 0.738 | S | S | * | * | 0 | 107.1 | 0 | -168.9 | 165.4 | -179.9 | 0 | 0 | 105.8 | D3 | M1-D3 PolarHBondContact O-N 3.45Š| |||
| 2 | I | 67.6 | Low | 82.1 | Confident | 158 Ų | 158 | 152 Ų | 152 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | -83.1 | 100.6 | -179.2 | -60.5 | 172 | 0 | 0 | 0 | 106.1 | R4 | I2-R4 PolarHBondContact O-N 2.92Š| ||
| 3 | D | 82.2 | Confident | 82.5 | Confident | 99 Ų | 99 | 153.9 Ų | 153.9 | 53% | 0.529 | 75% | 0.745 | S | S | . | * | trans | -70 | 114 | 174.4 | -70.2 | -24.3 | 0 | 0 | 0 | 108.7 | M1 Y5 | M1-D3 PolarHBondContact O-N 3.45Å; D3-Y5 HydrophobicContact CB-CE2 4.22Å | ||
| 4 | R | 82.7 | Confident | 82.6 | Confident | 198 Ų | 198 | 148.1 Ų | 148.1 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -91.3 | 117.3 | 171.5 | -62.5 | -173.2 | -158.2 | -179.7 | 6.3 | 108 | I2 F6 | I2-R4 PolarHBondContact O-N 2.92Å; R4-F6 HydrophobicContact CB-CD2 4.42Å; R4-F6 HydrophobicContact CB-CE2 3.63Å; R4-F6 HydrophobicContact CB-CZ 3.86Å; R4-F6 WeakPolarHBondContact O-CD2 3.38Å | ||
| 5 | Y | 88.1 | Confident | 83 | Confident | 206 Ų | 206 | 143.9 Ų | 143.9 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -86.2 | 130 | 172.2 | -59.9 | -80.6 | 0 | 0 | 0 | 109.5 | D3 | D3-Y5 HydrophobicContact CB-CE2 4.22Š| ||
| 6 | F | 89.3 | Confident | 83.4 | Confident | 136 Ų | 136 | 148.5 Ų | 148.5 | 60% | 0.596 | 74% | 0.744 | S | S | * | * | trans | -117.5 | 132.4 | 175 | -60.9 | -87.3 | 0 | 0 | 0 | 108.9 | R4 F8 | R4-F6 HydrophobicContact CB-CD2 4.42Å; R4-F6 HydrophobicContact CB-CE2 3.63Å; R4-F6 HydrophobicContact CB-CZ 3.86Å; R4-F6 WeakPolarHBondContact O-CD2 3.38Å; F6-F8 HydrophobicContact CB-CE2 3.94Å; F6-F8 HydrophobicContact CB-CZ 4.03Å | ||
| 7 | T | 90.7 | Very high | 83.8 | Confident | 135 Ų | 135 | 144.7 Ų | 144.7 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | trans | -106.2 | 123.1 | 171 | -55.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 8 | F | 90.3 | Very high | 84.1 | Confident | 144 Ų | 144 | 143.7 Ų | 143.7 | 63% | 0.632 | 75% | 0.747 | S | S | * | * | trans | -97.5 | 122.2 | 175.8 | -61.2 | -84 | 0 | 0 | 0 | 109 | F6 L21 | F6-F8 HydrophobicContact CB-CE2 3.94Å; F6-F8 HydrophobicContact CB-CZ 4.03Å; F8-L21 HydrophobicContact CE1-CD2 4.41Å | ||
| 9 | V | 88.9 | Confident | 84.4 | Confident | 132 Ų | 132 | 141.7 Ų | 141.7 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | -97.9 | 108.4 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 10 | I | 90.3 | Very high | 84.8 | Confident | 148 Ų | 148 | 141 Ų | 141 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | -103.1 | 118.3 | 176.3 | -55.6 | 173.3 | 0 | 0 | 0 | 106.5 | ||||
| 11 | N | 87.3 | Confident | 85.1 | Confident | 96 Ų | 96 | 139.2 Ų | 139.2 | 51% | 0.513 | 74% | 0.74 | S | S | . | * | trans | -125 | 131.4 | 176.3 | -178.2 | 4.1 | 0 | 0 | 0 | 108.5 | K13 V15 | N11-K13 PolarHBondContact ND2-O 3.02Å; N11-K13 PolarHBondContact OD1-N 3.44Å; N11-K13 PolarHBondContact OD1-O 3.31Å; N11-V15 HydrophobicContact CB-CG2 4.16Å; N11-V15 WeakPolarHBondContact O-CG2 3.31Å | ||
| 12 | D | 79.1 | Confident | 87.1 | Confident | 150 Ų | 150 | 130.7 Ų | 130.7 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | trans | -90.3 | -18.6 | -177.2 | -58 | -38.1 | 0 | 0 | 0 | 112.8 | ||||
| 13 | K | 87.3 | Confident | 88.2 | Confident | 177 Ų | 177 | 133.3 Ų | 133.3 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -126.2 | 125.6 | -171 | -63.8 | -174.8 | -177.5 | 178.2 | 0 | 112.8 | N11 | N11-K13 PolarHBondContact ND2-O 3.02Å; N11-K13 PolarHBondContact OD1-N 3.44Å; N11-K13 PolarHBondContact OD1-O 3.31Å |
| 14 | G | 84.4 | Confident | 88.7 | Confident | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | trans | 70.3 | 32.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K16 | G14-K16 PolarHBondContact O-N 3.32Š| ||
| 15 | V | 87.5 | Confident | 89.1 | Confident | 84 Ų | 84 | 129.9 Ų | 129.9 | 51% | 0.509 | 70% | 0.697 | S | S | . | * | trans | -66.1 | 115.6 | -177.9 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | N11 A17 | N11-V15 HydrophobicContact CB-CG2 4.16Å; N11-V15 WeakPolarHBondContact O-CG2 3.31Å; V15-A17 WeakPolarHBondContact CG1-O 3.42Å | ||
| 16 | K | 90.2 | Very high | 89.4 | Confident | 218 Ų | 218 | 124.5 Ų | 124.5 | 95% | 0.948 | 68% | 0.682 | S | S | * | * | trans | -94.9 | -20.7 | 175.7 | -68.5 | -176 | 178.9 | -180 | 0 | 113.7 | G14 | G14-K16 PolarHBondContact O-N 3.32Š| ||
| 17 | A | 89.7 | Confident | 89.6 | Confident | 84 Ų | 84 | 125.5 Ų | 125.5 | 69% | 0.694 | 69% | 0.687 | S | S | * | * | trans | -128.8 | 131 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109 | V15 | V15-A17 WeakPolarHBondContact CG1-O 3.42Š| ||
| 18 | C | 89.6 | Confident | 89.8 | Confident | 127 Ų | 127 | 124.3 Ų | 124.3 | 86% | 0.858 | 68% | 0.675 | S | S | * | * | trans | -113.8 | 151.1 | 173.1 | 62.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 19 | A | 90.5 | Very high | 90 | Very high | 105 Ų | 105 | 121 Ų | 121 | 87% | 0.868 | 66% | 0.663 | S | S | * | * | trans | -117.4 | 124 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 20 | L | 90.8 | Very high | 90.2 | Very high | 128 Ų | 128 | 118.8 Ų | 118.8 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | trans | -96.4 | 114.6 | 173 | -175.6 | 64.5 | 0 | 0 | 0 | 108.7 | L22 L37 | L20-L22 HydrophobicContact CD2-CD2 3.89Å; L20-L22 HydrophobicContact CG-CD2 3.95Å; L20-L22 PolarHBondContact O-N 3.29Å; L20-L37 HydrophobicContact CD2-CD1 3.95Å; L20-L37 HydrophobicContact CD2-CD2 4.21Å | ||
| 21 | L | 91 | Very high | 90.4 | Very high | 104 Ų | 104 | 116 Ų | 116 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | trans | -90.3 | 105 | 178.2 | -177 | 68.9 | 0 | 0 | 0 | 110.3 | F8 | F8-L21 HydrophobicContact CE1-CD2 4.41Š| ||
| 22 | L | 91.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 117.4 Ų | 117.4 | 23% | 0.225 | 63% | 0.631 | C | S | . | * | trans | -84.7 | 138.1 | 175.5 | -57.4 | 178.6 | 0 | 0 | 0 | 111.1 | L20 F30 L37 | L20-L22 HydrophobicContact CD2-CD2 3.89Å; L20-L22 HydrophobicContact CG-CD2 3.95Å; L20-L22 PolarHBondContact O-N 3.29Å; L22-F30 HydrophobicContact CB-CD2 4.26Å; L22-F30 HydrophobicContact CB-CE2 3.74Å; L22-F30 HydrophobicContact CD1-CE2 4.34Å; L22-L37 HydrophobicContact CD1-CD1 3.58Å; L22-L37 HydrophobicContact CD2-CD1 3.6Å; L22-L37 HydrophobicContact CG-CD1 4.18Å | ||
| 23 | R | 91 | Very high | 91.5 | Very high | 212 Ų | 212 | 113.8 Ų | 113.8 | 80% | 0.8 | 61% | 0.61 | S | S | * | * | trans | -125.7 | 123.4 | 176.3 | -64.1 | -175.5 | -177.5 | 177.6 | 1.1 | 109.3 | ||||
| 24 | S | 91.9 | Very high | 91.8 | Very high | 47 Ų | 47 | 108.4 Ų | 108.4 | 33% | 0.329 | 59% | 0.59 | S | S | . | * | trans | -147.7 | 148.2 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | N26 | S24-N26 PolarHBondContact OG-N 3.33Å; S24-N26 PolarHBondContact OG-O 3.25Å; S24-N26 VanDerWaalsContact OG-O 3.08Å | ||
| 25 | L | 92.3 | Very high | 92.3 | Very high | 179 Ų | 179 | 113.3 Ų | 113.3 | 94% | 0.937 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -83.1 | -22.6 | 175 | -63 | 174.4 | 0 | 0 | 0 | 112.1 | ||
| 26 | N | 94.6 | Very high | 92.7 | Very high | 92 Ų | 92 | 113.7 Ų | 113.7 | 49% | 0.492 | 59% | 0.585 | S | S | . | * | trans | -112.4 | 128.8 | -175.5 | -65.4 | -26.9 | 0 | 0 | 0 | 110.3 | S24 D28 I29 F30 | S24-N26 PolarHBondContact OG-N 3.33Å; S24-N26 PolarHBondContact OG-O 3.25Å; S24-N26 VanDerWaalsContact OG-O 3.08Å; N26-D28 VanDerWaalsContact C-N 3.29Å; N26-D28 PolarHBondContact O-N 3.14Å; N26-I29 HydrophobicContact CB-CB 4.27Å; N26-I29 HydrophobicContact CB-CD1 3.92Å; N26-I29 HydrophobicContact CB-CG1 3.98Å; N26-F30 PolarHBondContact O-N 3.45Å; N26-F30 VanDerWaalsContact O-N 3.11Å | ||
| 27 | K | 93.2 | Very high | 92.9 | Very high | 158 Ų | 158 | 105.6 Ų | 105.6 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.4 | -37.1 | 179.1 | -169.9 | -175.2 | 175 | -172.7 | 0 | 111.9 | F30 M31 | K27-F30 WeakPolarHBondContact O-CB 3.43Å; K27-F30 PolarHBondContact O-N 3.26Å; K27-M31 HydrophobicContact CG-CE 4.17Å; K27-M31 HydrophobicContact CG-CG 4.5Å; K27-M31 HydrophobicContact CG-SD 4.39Å; K27-M31 WeakPolarHBondContact O-CG 3.23Å; K27-M31 PolarHBondContact O-N 3.23Å |
| 28 | D | 95.3 | Very high | 93.1 | Very high | 109 Ų | 109 | 106 Ų | 106 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -47.7 | -177.6 | -56.6 | -31.4 | 0 | 0 | 0 | 111.3 | N26 F30 M31 E32 | N26-D28 VanDerWaalsContact C-N 3.29Å; N26-D28 PolarHBondContact O-N 3.14Å; D28-F30 VanDerWaalsContact C-N 3.27Å; D28-F30 PolarHBondContact O-N 3.02Å; D28-M31 PolarHBondContact O-N 3.36Å; D28-M31 VanDerWaalsContact O-N 3.16Å; D28-M31 WeakPolarHBondContact OD1-CE 3.35Å; D28-E32 PolarHBondContact O-N 3.49Å |
| 29 | I | 94 | Very high | 93.3 | Very high | 75 Ų | 75 | 104.4 Ų | 104.4 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 173.7 | -58.8 | 178.6 | 0 | 0 | 0 | 110.6 | N26 M31 E32 M33 | N26-I29 HydrophobicContact CB-CB 4.27Å; N26-I29 HydrophobicContact CB-CD1 3.92Å; N26-I29 HydrophobicContact CB-CG1 3.98Å; I29-M31 PolarHBondContact O-N 3.09Å; I29-E32 PolarHBondContact O-N 2.91Å; I29-M33 HydrophobicContact CG2-CG 4.17Å; I29-M33 HydrophobicContact CG2-SD 3.89Å; I29-M33 WeakPolarHBondContact O-CB 3.48Å; I29-M33 WeakPolarHBondContact O-CG 3.42Å; I29-M33 PolarHBondContact O-N 3.41Å |
| 30 | F | 93.5 | Very high | 93.5 | Very high | 86 Ų | 86 | 105.4 Ų | 105.4 | 38% | 0.377 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.6 | -178.4 | -89.1 | 0 | 0 | 0 | 112.1 | L22 N26 K27 D28 E32 M33 D34 | L22-F30 HydrophobicContact CB-CD2 4.26Å; L22-F30 HydrophobicContact CB-CE2 3.74Å; L22-F30 HydrophobicContact CD1-CE2 4.34Å; N26-F30 PolarHBondContact O-N 3.45Å; N26-F30 VanDerWaalsContact O-N 3.11Å; K27-F30 WeakPolarHBondContact O-CB 3.43Å; K27-F30 PolarHBondContact O-N 3.26Å; D28-F30 VanDerWaalsContact C-N 3.27Å; D28-F30 PolarHBondContact O-N 3.02Å; F30-E32 VanDerWaalsContact C-N 3.34Å; F30-M33 PolarHBondContact O-N 3.35Å; F30-D34 WeakPolarHBondContact O-CB 3.25Å; F30-D34 PolarHBondContact O-N 3.18Å |
| 31 | M | 93.4 | Very high | 93.6 | Very high | 90 Ų | 90 | 104.7 Ų | 104.7 | 44% | 0.443 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 177.9 | -69.4 | -175.8 | -61.5 | 0 | 0 | 112.1 | K27 D28 I29 R35 | K27-M31 HydrophobicContact CG-CE 4.17Å; K27-M31 HydrophobicContact CG-CG 4.5Å; K27-M31 HydrophobicContact CG-SD 4.39Å; K27-M31 WeakPolarHBondContact O-CG 3.23Å; K27-M31 PolarHBondContact O-N 3.23Å; D28-M31 PolarHBondContact O-N 3.36Å; D28-M31 VanDerWaalsContact O-N 3.16Å; D28-M31 WeakPolarHBondContact OD1-CE 3.35Å; I29-M31 PolarHBondContact O-N 3.09Å; M31-R35 WeakPolarHBondContact O-CB 3.3Å; M31-R35 PolarHBondContact O-N 2.96Å; M31-R35 VanDerWaalsContact O-N 3.12Å |
| 32 | E | 94.7 | Very high | 93.6 | Very high | 125 Ų | 125 | 105.9 Ų | 105.9 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.3 | -44.3 | 173.7 | -71.7 | -178.2 | 171.5 | 0 | 0 | 112.4 | D28 I29 F30 D34 R35 N36 | D28-E32 PolarHBondContact O-N 3.49Å; I29-E32 PolarHBondContact O-N 2.91Å; F30-E32 VanDerWaalsContact C-N 3.34Å; E32-D34 PolarHBondContact O-N 3.33Å; E32-R35 PolarHBondContact O-N 3.46Å; E32-N36 VanDerWaalsContact O-CG 3.27Å; E32-N36 PolarHBondContact O-N 3.46Å; E32-N36 PolarHBondContact O-OD1 2.95Å |
| 33 | M | 95.1 | Very high | 93.6 | Very high | 73 Ų | 73 | 106.5 Ų | 106.5 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.5 | -72.8 | 177.9 | 77.1 | 0 | 0 | 111.8 | I29 F30 N36 L37 | I29-M33 HydrophobicContact CG2-CG 4.17Å; I29-M33 HydrophobicContact CG2-SD 3.89Å; I29-M33 WeakPolarHBondContact O-CB 3.48Å; I29-M33 WeakPolarHBondContact O-CG 3.42Å; I29-M33 PolarHBondContact O-N 3.41Å; F30-M33 PolarHBondContact O-N 3.35Å; M33-N36 PolarHBondContact O-N 3.33Å; M33-L37 WeakPolarHBondContact O-CB 3.16Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.47Å; M33-L37 PolarHBondContact O-N 3.1Å |
| 34 | D | 93.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 99.9 Ų | 99.9 | 35% | 0.348 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 176.9 | -177.4 | 46.7 | 0 | 0 | 0 | 111.2 | F30 E32 L37 Q38 | F30-D34 WeakPolarHBondContact O-CB 3.25Å; F30-D34 PolarHBondContact O-N 3.18Å; E32-D34 PolarHBondContact O-N 3.33Å; D34-L37 PolarHBondContact O-N 3.37Å; D34-Q38 WeakPolarHBondContact O-CB 3.3Å; D34-Q38 VanDerWaalsContact O-CG 3.27Å; D34-Q38 WeakPolarHBondContact O-CG 3.32Å; D34-Q38 PolarHBondContact O-N 3.5Å; D34-Q38 PolarHBondContact OD1-NE2 3.33Å; D34-Q38 PolarHBondContact OD2-NE2 3.35Å |
| 35 | R | 95.2 | Very high | 93.7 | Very high | 175 Ų | 175 | 99.1 Ų | 99.1 | 66% | 0.66 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.7 | -50.5 | 174.9 | -175.5 | -178.9 | -70.6 | -177.2 | -1.8 | 111.9 | M31 E32 L37 Q38 D39 | M31-R35 WeakPolarHBondContact O-CB 3.3Å; M31-R35 PolarHBondContact O-N 2.96Å; M31-R35 VanDerWaalsContact O-N 3.12Å; E32-R35 PolarHBondContact O-N 3.46Å; R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 3.34Å; R35-Q38 PolarHBondContact O-N 2.9Å; R35-D39 PolarHBondContact O-N 3.2Å |
| 36 | N | 95.2 | Very high | 93.7 | Very high | 93 Ų | 93 | 92.9 Ų | 92.9 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | -178.9 | -68.8 | -6.4 | 0 | 0 | 0 | 111.7 | E32 M33 D39 E40 | E32-N36 VanDerWaalsContact O-CG 3.27Å; E32-N36 PolarHBondContact O-N 3.46Å; E32-N36 PolarHBondContact O-OD1 2.95Å; M33-N36 PolarHBondContact O-N 3.33Å; N36-D39 PolarHBondContact O-N 3.47Å; N36-E40 WeakPolarHBondContact O-CB 3.47Å; N36-E40 WeakPolarHBondContact O-CG 3.41Å; N36-E40 PolarHBondContact O-N 2.9Å |
| 37 | L | 95.5 | Very high | 93.5 | Very high | 47 Ų | 47 | 90.8 Ų | 90.8 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 178.1 | -76.3 | 166.3 | 0 | 0 | 0 | 112.2 | L20 L22 M33 D34 R35 D39 E40 L41 | L20-L37 HydrophobicContact CD2-CD1 3.95Å; L20-L37 HydrophobicContact CD2-CD2 4.21Å; L22-L37 HydrophobicContact CD1-CD1 3.58Å; L22-L37 HydrophobicContact CD2-CD1 3.6Å; L22-L37 HydrophobicContact CG-CD1 4.18Å; M33-L37 WeakPolarHBondContact O-CB 3.16Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.47Å; M33-L37 PolarHBondContact O-N 3.1Å; D34-L37 PolarHBondContact O-N 3.37Å; R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 3.34Å; L37-D39 VanDerWaalsContact C-N 3.33Å; L37-D39 PolarHBondContact O-N 3.02Å; L37-E40 PolarHBondContact O-N 2.8Å; L37-L41 VanDerWaalsContact O-CB 3.23Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 WeakPolarHBondContact O-CG 3.29Å; L37-L41 PolarHBondContact O-N 3.32Å |
| 38 | Q | 94.2 | Very high | 93.5 | Very high | 93 Ų | 93 | 91.6 Ų | 91.6 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.1 | -74.1 | 175.1 | 26.8 | 0 | 0 | 111.2 | D34 R35 H42 | D34-Q38 WeakPolarHBondContact O-CB 3.3Å; D34-Q38 VanDerWaalsContact O-CG 3.27Å; D34-Q38 WeakPolarHBondContact O-CG 3.32Å; D34-Q38 PolarHBondContact O-N 3.5Å; D34-Q38 PolarHBondContact OD1-NE2 3.33Å; D34-Q38 PolarHBondContact OD2-NE2 3.35Å; R35-Q38 PolarHBondContact O-N 2.9Å; Q38-H42 WeakPolarHBondContact O-CB 3.27Å; Q38-H42 VanDerWaalsContact O-CG 3.24Å; Q38-H42 PolarHBondContact O-N 2.98Å; Q38-H42 PolarHBondContact O-ND1 3.16Å |
| 39 | D | 93.7 | Very high | 93.3 | Very high | 93 Ų | 93 | 92.7 Ų | 92.7 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 178.6 | -70.6 | -23.4 | 0 | 0 | 0 | 111.7 | R35 N36 L37 H42 V43 | R35-D39 PolarHBondContact O-N 3.2Å; N36-D39 PolarHBondContact O-N 3.47Å; L37-D39 VanDerWaalsContact C-N 3.33Å; L37-D39 PolarHBondContact O-N 3.02Å; D39-H42 PolarHBondContact O-N 3.29Å; D39-V43 WeakPolarHBondContact O-CG2 3.48Å; D39-V43 PolarHBondContact O-N 3.21Å |
| 40 | E | 93.2 | Very high | 93.1 | Very high | 127 Ų | 127 | 93.3 Ų | 93.3 | 59% | 0.593 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.3 | -42.4 | 178.3 | -74.7 | -177.6 | -175.4 | 0 | 0 | 112.5 | N36 L37 H42 V43 V44 | N36-E40 WeakPolarHBondContact O-CB 3.47Å; N36-E40 WeakPolarHBondContact O-CG 3.41Å; N36-E40 PolarHBondContact O-N 2.9Å; L37-E40 PolarHBondContact O-N 2.8Å; E40-H42 VanDerWaalsContact C-N 3.34Å; E40-H42 PolarHBondContact O-N 3.26Å; E40-V43 PolarHBondContact O-N 3.07Å; E40-V44 WeakPolarHBondContact O-CB 3.26Å; E40-V44 VanDerWaalsContact O-CG2 3.3Å; E40-V44 WeakPolarHBondContact O-CG2 3.23Å; E40-V44 PolarHBondContact O-N 2.95Å |
| 41 | L | 93.9 | Very high | 93 | Very high | 113 Ų | 113 | 94.5 Ų | 94.5 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.4 | -38.7 | 178.5 | -74.6 | 172 | 0 | 0 | 0 | 111.8 | L37 V44 G45 | L37-L41 VanDerWaalsContact O-CB 3.23Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 WeakPolarHBondContact O-CG 3.29Å; L37-L41 PolarHBondContact O-N 3.32Å; L41-V44 PolarHBondContact O-N 2.95Å; L41-G45 PolarHBondContact O-N 2.88Å |
| 42 | H | 91.5 | Very high | 92.8 | Very high | 129 Ų | 129 | 97 Ų | 97 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 173.2 | -71.8 | 151.9 | 0 | 0 | 0 | 111.9 | Q38 D39 E40 G45 N46 | Q38-H42 WeakPolarHBondContact O-CB 3.27Å; Q38-H42 VanDerWaalsContact O-CG 3.24Å; Q38-H42 PolarHBondContact O-N 2.98Å; Q38-H42 PolarHBondContact O-ND1 3.16Å; D39-H42 PolarHBondContact O-N 3.29Å; E40-H42 VanDerWaalsContact C-N 3.34Å; E40-H42 PolarHBondContact O-N 3.26Å; H42-G45 PolarHBondContact O-N 2.62Å; H42-N46 WeakPolarHBondContact O-CB 3.38Å; H42-N46 PolarHBondContact O-N 3.48Å; H42-N46 PolarHBondContact O-ND2 2.86Å |
| 43 | V | 91.3 | Very high | 92.5 | Very high | 55 Ų | 55 | 93.8 Ų | 93.8 | 33% | 0.333 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.3 | 164.6 | 0 | 0 | 0 | 0 | 111.3 | D39 E40 N46 V47 P97 V100 | D39-V43 WeakPolarHBondContact O-CG2 3.48Å; D39-V43 PolarHBondContact O-N 3.21Å; E40-V43 PolarHBondContact O-N 3.07Å; V43-N46 WeakPolarHBondContact O-CB 3.43Å; V43-N46 PolarHBondContact O-N 2.98Å; V43-V47 WeakPolarHBondContact O-CG2 3.19Å; V43-V47 PolarHBondContact O-N 3.3Å; V43-P97 HydrophobicContact CG1-CG 3.89Å; V43-V100 HydrophobicContact CG2-CG2 4.44Å |
| 44 | V | 92.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 92.2 Ų | 92.2 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | E40 L41 N46 V47 F48 | E40-V44 WeakPolarHBondContact O-CB 3.26Å; E40-V44 VanDerWaalsContact O-CG2 3.3Å; E40-V44 WeakPolarHBondContact O-CG2 3.23Å; E40-V44 PolarHBondContact O-N 2.95Å; L41-V44 PolarHBondContact O-N 2.95Å; V44-N46 VanDerWaalsContact C-N 3.28Å; V44-N46 PolarHBondContact O-N 3.38Å; V44-V47 WeakPolarHBondContact O-CB 3.44Å; V44-V47 PolarHBondContact O-N 2.78Å; V44-F48 HydrophobicContact CG1-CD2 3.75Å; V44-F48 HydrophobicContact CG1-CE2 3.68Å; V44-F48 WeakPolarHBondContact O-CD2 3.42Å; V44-F48 PolarHBondContact O-N 3.39Å |
| 45 | G | 92.6 | Very high | 91.8 | Very high | 31 Ų | 31 | 89.4 Ų | 89.4 | 32% | 0.32 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.8 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L41 H42 V47 F48 L49 | L41-G45 PolarHBondContact O-N 2.88Å; H42-G45 PolarHBondContact O-N 2.62Å; G45-V47 PolarHBondContact O-N 2.67Å; G45-F48 PolarHBondContact O-N 3.03Å; G45-L49 WeakPolarHBondContact O-CG 3.13Å; G45-L49 PolarHBondContact O-N 2.93Å |
| 46 | N | 90.9 | Very high | 91.3 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 25% | 0.251 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 174.3 | -80.6 | -21.2 | 0 | 0 | 0 | 113.2 | H42 V43 V44 F48 L49 N50 T99 | H42-N46 WeakPolarHBondContact O-CB 3.38Å; H42-N46 PolarHBondContact O-N 3.48Å; H42-N46 PolarHBondContact O-ND2 2.86Å; V43-N46 WeakPolarHBondContact O-CB 3.43Å; V43-N46 PolarHBondContact O-N 2.98Å; V44-N46 VanDerWaalsContact C-N 3.28Å; V44-N46 PolarHBondContact O-N 3.38Å; N46-F48 VanDerWaalsContact C-N 3.34Å; N46-L49 PolarHBondContact O-N 2.73Å; N46-N50 PolarHBondContact O-N 2.91Å; N46-T99 WeakPolarHBondContact CB-OG1 3.39Å |
| 47 | V | 91.8 | Very high | 90.6 | Very high | 49 Ų | 49 | 79 Ų | 79 | 30% | 0.297 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | V43 V44 G45 N50 P51 V53 P97 | V43-V47 WeakPolarHBondContact O-CG2 3.19Å; V43-V47 PolarHBondContact O-N 3.3Å; V44-V47 WeakPolarHBondContact O-CB 3.44Å; V44-V47 PolarHBondContact O-N 2.78Å; G45-V47 PolarHBondContact O-N 2.67Å; V47-N50 CarbonylContact O-C 3.14Å; V47-P51 VanDerWaalsContact O-CA 3.28Å; V47-P51 WeakPolarHBondContact O-CA 3.37Å; V47-V53 HydrophobicContact CG1-CG1 4.4Å; V47-V53 HydrophobicContact CG2-CG1 4.24Å; V47-P97 HydrophobicContact CG2-CB 3.98Å |
| 48 | F | 91.9 | Very high | 90 | Very high | 174 Ų | 174 | 77.8 Ų | 77.8 | 76% | 0.763 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 174.1 | -88.8 | -77.8 | 0 | 0 | 0 | 112.5 | V44 G45 N46 | V44-F48 HydrophobicContact CG1-CD2 3.75Å; V44-F48 HydrophobicContact CG1-CE2 3.68Å; V44-F48 WeakPolarHBondContact O-CD2 3.42Å; V44-F48 PolarHBondContact O-N 3.39Å; G45-F48 PolarHBondContact O-N 3.03Å; N46-F48 VanDerWaalsContact C-N 3.34Å |
| 49 | L | 91.5 | Very high | 89.6 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 69% | 0.691 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71.1 | -38.8 | 177.3 | -70.1 | 172.1 | 0 | 0 | 0 | 112.3 | G45 N46 | G45-L49 WeakPolarHBondContact O-CG 3.13Å; G45-L49 PolarHBondContact O-N 2.93Å; N46-L49 PolarHBondContact O-N 2.73Å |
| 50 | N | 90.9 | Very high | 89.1 | Confident | 89 Ų | 89 | 70.5 Ų | 70.5 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | trans | -135.5 | 100.9 | 179.2 | -74.5 | -64 | 0 | 0 | 0 | 109.7 | N46 V47 K52 T99 | N46-N50 PolarHBondContact O-N 2.91Å; V47-N50 CarbonylContact O-C 3.14Å; N50-K52 PolarHBondContact O-N 3.03Å; N50-T99 HydrophobicContact CB-CG2 4Å | ||
| 51 | P | 90.8 | Very high | 88.7 | Confident | 110 Ų | 110 | 68.3 Ų | 68.3 | 71% | 0.714 | 38% | 0.381 | S | S | * | . | trans | -74.8 | 24.7 | -173.4 | 31.4 | -37 | 0 | 0 | 0 | 114.1 | V47 | V47-P51 VanDerWaalsContact O-CA 3.28Å; V47-P51 WeakPolarHBondContact O-CA 3.37Å | ||
| 52 | K | 89.4 | Confident | 88.3 | Confident | 142 Ų | 142 | 65.7 Ų | 65.7 | 62% | 0.617 | 37% | 0.367 | S | S | * | . | trans | -95.4 | 117.1 | 177.6 | -66.9 | -176.5 | -179.8 | 178.4 | 0 | 109.7 | N50 L98 | N50-K52 PolarHBondContact O-N 3.03Å; K52-L98 HydrophobicContact CB-CB 4.09Å; K52-L98 HydrophobicContact CB-CD2 3.87Å; K52-L98 HydrophobicContact CD-CD2 3.84Å; K52-L98 WeakPolarHBondContact O-CB 3.23Å; K52-L98 PolarHBondContact O-N 3.02Å; K52-L98 VanDerWaalsContact O-N 3.1Å | ||
| 53 | V | 88.4 | Confident | 87.9 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.4 | 176.7 | -65.5 | 0 | 0 | 0 | 0 | 110.3 | V47 R95 | V47-V53 HydrophobicContact CG1-CG1 4.4Å; V47-V53 HydrophobicContact CG2-CG1 4.24Å; V53-R95 HydrophobicContact CB-CB 4.45Å |
| 54 | L | 86.7 | Confident | 87.5 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 156.2 | -178.4 | -71 | 173.3 | 0 | 0 | 0 | 110.9 | T60 R95 N96 L98 R101 | L54-T60 HydrophobicContact CD1-CG2 4.13Å; L54-T60 HydrophobicContact CD2-CG2 4.21Å; L54-R95 WeakPolarHBondContact O-CA 3.16Å; L54-N96 PolarHBondContact N-O 3.46Å; L54-N96 PolarHBondContact O-N 2.85Å; L54-L98 HydrophobicContact CD1-CB 4.41Å; L54-L98 HydrophobicContact CD1-CD1 3.62Å; L54-L98 HydrophobicContact CD2-CD1 4.23Å; L54-L98 HydrophobicContact CG-CB 4.38Å; L54-L98 HydrophobicContact CG-CD1 4.04Å; L54-R101 HydrophobicContact CD1-CB 4.15Å; L54-R101 HydrophobicContact CD1-CG 4.2Å |
| 55 | P | 86.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -44.9 | 139.3 | 162.9 | -13.1 | 12.8 | 0 | 0 | 0 | 112.9 | A59 T60 R89 | P55-A59 HydrophobicContact CB-CB 3.44Å; P55-A59 VanDerWaalsContact CB-CB 3.44Å; P55-A59 HydrophobicContact CG-CB 4.19Å; P55-T60 VanDerWaalsContact CD-OG1 3.3Å; P55-T60 WeakPolarHBondContact CD-OG1 3.46Å; P55-T60 WeakPolarHBondContact CG-OG1 3.27Å; P55-T60 PolarHBondContact O-OG1 2.84Å; P55-R89 VanDerWaalsContact CB-CD 3.47Å; P55-R89 HydrophobicContact CB-CG 3.67Å; P55-R89 HydrophobicContact CG-CG 4.26Å |
| 56 | G | 84.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -73.9 | -159.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G58 A59 D78 V94 | G56-G58 PolarHBondContact O-N 3.02Å; G56-A59 PolarHBondContact O-N 3.45Å; G56-A59 VanDerWaalsContact O-N 3.07Å; G56-D78 VanDerWaalsContact O-OD2 3.05Å; G56-V94 WeakPolarHBondContact CA-O 3.38Å; G56-V94 PolarHBondContact N-O 3.37Å |
| 57 | G | 81 | Confident | 86.3 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 0.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | D78 | G57-D78 WeakPolarHBondContact CA-OD1 3.3Å; G57-D78 VanDerWaalsContact CA-OD2 3.26Å; G57-D78 WeakPolarHBondContact CA-OD2 3.48Å; G57-D78 PolarHBondContact N-OD2 2.96Å |
| 58 | G | 82.9 | Confident | 85.7 | Confident | 21 Ų | 21 | 71 Ų | 71 | 22% | 0.216 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -4.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G56 T60 E61 M62 | G56-G58 PolarHBondContact O-N 3.02Å; G58-T60 PolarHBondContact O-N 3.29Å; G58-E61 VanDerWaalsContact CA-OE2 3.3Å; G58-E61 WeakPolarHBondContact CA-OE2 3.47Å; G58-E61 PolarHBondContact O-N 2.76Å; G58-E61 VanDerWaalsContact O-N 3.16Å; G58-M62 WeakPolarHBondContact O-CG 3.5Å; G58-M62 PolarHBondContact O-N 3.06Å |
| 59 | A | 84.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.7 | -32.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P55 G56 T63 L77 D78 | P55-A59 HydrophobicContact CB-CB 3.44Å; P55-A59 VanDerWaalsContact CB-CB 3.44Å; P55-A59 HydrophobicContact CG-CB 4.19Å; G56-A59 PolarHBondContact O-N 3.45Å; G56-A59 VanDerWaalsContact O-N 3.07Å; A59-T63 VanDerWaalsContact O-CB 3.29Å; A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 PolarHBondContact O-N 2.78Å; A59-T63 PolarHBondContact O-OG1 3.42Å; A59-L77 WeakPolarHBondContact CB-O 3.48Å; A59-D78 HydrophobicContact CB-CB 3.59Å; A59-D78 WeakPolarHBondContact CB-OD1 3.4Å; A59-D78 PolarHBondContact N-OD1 3.49Å |
| 60 | T | 84.9 | Confident | 84.2 | Confident | 34 Ų | 34 | 67.7 Ų | 67.7 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 177.9 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | L54 P55 G58 L64 | L54-T60 HydrophobicContact CD1-CG2 4.13Å; L54-T60 HydrophobicContact CD2-CG2 4.21Å; P55-T60 VanDerWaalsContact CD-OG1 3.3Å; P55-T60 WeakPolarHBondContact CD-OG1 3.46Å; P55-T60 WeakPolarHBondContact CG-OG1 3.27Å; P55-T60 PolarHBondContact O-OG1 2.84Å; G58-T60 PolarHBondContact O-N 3.29Å; T60-L64 WeakPolarHBondContact O-CB 3.38Å; T60-L64 PolarHBondContact O-N 3.49Å |
| 61 | E | 84.2 | Confident | 83.2 | Confident | 80 Ų | 80 | 72.2 Ų | 72.2 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | -179.5 | -62.5 | 88.6 | 153.1 | 0 | 0 | 111.3 | G58 L64 A65 R101 | G58-E61 VanDerWaalsContact CA-OE2 3.3Å; G58-E61 WeakPolarHBondContact CA-OE2 3.47Å; G58-E61 PolarHBondContact O-N 2.76Å; G58-E61 VanDerWaalsContact O-N 3.16Å; E61-L64 PolarHBondContact O-N 2.99Å; E61-A65 WeakPolarHBondContact O-CB 3.45Å; E61-A65 PolarHBondContact O-N 3.1Å; E61-R101 IonicContact OE1-CZ 3.28Å; E61-R101 VanDerWaalsContact OE1-CZ 3.28Å; E61-R101 IonicContact OE1-NH1 2.62Å; E61-R101 PolarHBondContact OE1-NH1 2.79Å; E61-R101 IonicContact OE1-NH2 3.29Å; E61-R101 PolarHBondContact OE1-NH2 3.41Å |
| 62 | M | 84.5 | Confident | 81.7 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 29% | 0.286 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.3 | -74.8 | -171.9 | -89 | 0 | 0 | 111.8 | G58 L64 A65 Q66 I79 | G58-M62 WeakPolarHBondContact O-CG 3.5Å; G58-M62 PolarHBondContact O-N 3.06Å; M62-L64 VanDerWaalsContact C-N 3.32Å; M62-L64 PolarHBondContact O-N 2.71Å; M62-A65 PolarHBondContact O-N 2.78Å; M62-Q66 WeakPolarHBondContact O-CB 3.38Å; M62-Q66 WeakPolarHBondContact O-CG 3.47Å; M62-Q66 PolarHBondContact O-N 3.24Å; M62-I79 HydrophobicContact CE-CD1 4.11Å; M62-I79 HydrophobicContact CE-CG1 4.01Å; M62-I79 HydrophobicContact SD-CD1 4.35Å |
| 63 | T | 83.3 | Confident | 80.2 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.5 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | A59 Q66 A67 T76 | A59-T63 VanDerWaalsContact O-CB 3.29Å; A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 PolarHBondContact O-N 2.78Å; A59-T63 PolarHBondContact O-OG1 3.42Å; T63-Q66 PolarHBondContact O-N 3.31Å; T63-A67 VanDerWaalsContact O-CB 3.23Å; T63-A67 WeakPolarHBondContact O-CB 3.37Å; T63-A67 PolarHBondContact O-N 3.32Å; T63-T76 HydrophobicContact CG2-CG2 4.1Å; T63-T76 WeakPolarHBondContact OG1-CG2 3.47Å |
| 64 | L | 84 | Confident | 78.9 | Confident | 105 Ų | 105 | 76 Ų | 76 | 55% | 0.55 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 178 | -177.5 | 63.8 | 0 | 0 | 0 | 112.6 | T60 E61 M62 K68 | T60-L64 WeakPolarHBondContact O-CB 3.38Å; T60-L64 PolarHBondContact O-N 3.49Å; E61-L64 PolarHBondContact O-N 2.99Å; M62-L64 VanDerWaalsContact C-N 3.32Å; M62-L64 PolarHBondContact O-N 2.71Å; L64-K68 PolarHBondContact O-N 3.48Å |
| 65 | A | 84.2 | Confident | 78 | Confident | 49 Ų | 49 | 79.1 Ų | 79.1 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E61 M62 K68 H69 | E61-A65 WeakPolarHBondContact O-CB 3.45Å; E61-A65 PolarHBondContact O-N 3.1Å; M62-A65 PolarHBondContact O-N 2.78Å; A65-K68 PolarHBondContact O-N 3.47Å; A65-H69 PolarHBondContact O-CD2 3.11Å; A65-H69 VanDerWaalsContact O-CD2 3.26Å; A65-H69 PolarHBondContact O-N 2.98Å |
| 66 | Q | 84 | Confident | 77.1 | Confident | 82 Ų | 82 | 79.4 Ų | 79.4 | 38% | 0.383 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.4 | -72.1 | -178.1 | 56.2 | 0 | 0 | 112 | M62 T63 K68 H69 T70 | M62-Q66 WeakPolarHBondContact O-CB 3.38Å; M62-Q66 WeakPolarHBondContact O-CG 3.47Å; M62-Q66 PolarHBondContact O-N 3.24Å; T63-Q66 PolarHBondContact O-N 3.31Å; Q66-K68 PolarHBondContact O-N 2.99Å; Q66-H69 PolarHBondContact O-N 3.44Å; Q66-H69 VanDerWaalsContact O-N 3.1Å; Q66-T70 PolarHBondContact O-N 2.92Å; Q66-T70 PolarHBondContact O-OG1 3.47Å |
| 67 | A | 81 | Confident | 76.7 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 57% | 0.57 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.2 | -24.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T63 | T63-A67 VanDerWaalsContact O-CB 3.23Å; T63-A67 WeakPolarHBondContact O-CB 3.37Å; T63-A67 PolarHBondContact O-N 3.32Å |
| 68 | K | 79.7 | Confident | 76.5 | Confident | 163 Ų | 163 | 80 Ų | 80 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -82.4 | -31.8 | 174.9 | -74.9 | -176.8 | 177.7 | -175.7 | 0 | 113.5 | L64 A65 Q66 | L64-K68 PolarHBondContact O-N 3.48Å; A65-K68 PolarHBondContact O-N 3.47Å; Q66-K68 PolarHBondContact O-N 2.99Å |
| 69 | H | 80.7 | Confident | 76.4 | Confident | 165 Ų | 165 | 82.8 Ų | 82.8 | 76% | 0.764 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -98 | -22.8 | -172.7 | -74.5 | -64.4 | 0 | 0 | 0 | 114 | A65 Q66 | A65-H69 PolarHBondContact O-CD2 3.11Å; A65-H69 VanDerWaalsContact O-CD2 3.26Å; A65-H69 PolarHBondContact O-N 2.98Å; Q66-H69 PolarHBondContact O-N 3.44Å; Q66-H69 VanDerWaalsContact O-N 3.1Å |
| 70 | T | 72.4 | Confident | 76.2 | Confident | 72 Ų | 72 | 83.9 Ų | 83.9 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | trans | -145.7 | 143.4 | -173.4 | 48.4 | 0 | 0 | 0 | 0 | 109.1 | Q66 A72 | Q66-T70 PolarHBondContact O-N 2.92Å; Q66-T70 PolarHBondContact O-OG1 3.47Å; T70-A72 PolarHBondContact O-N 2.93Å; T70-A72 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 71 | D | 68.3 | Low | 76 | Confident | 184 Ų | 184 | 86 Ų | 86 | 98% | 0.984 | 47% | 0.466 | S | S | * | . | trans | -68.9 | 31.7 | 163.6 | -74.6 | -35.8 | 0 | 0 | 0 | 111.4 | ||||
| 72 | A | 59.3 | Low | 76 | Confident | 49 Ų | 49 | 90 Ų | 90 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | trans | -70.1 | 146.3 | -173 | 0 | 0 | 0 | 0 | 0 | 110.4 | T70 | T70-A72 PolarHBondContact O-N 2.93Å; T70-A72 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 73 | R | 59.6 | Low | 76.1 | Confident | 203 Ų | 203 | 91 Ų | 91 | 77% | 0.766 | 50% | 0.498 | S | S | * | . | trans | -52.2 | 147.5 | -175.8 | -65.6 | 175.7 | 174.8 | -178.2 | -1.8 | 110.6 | E75 | R73-E75 HydrophobicContact CB-CG 4.13Å; R73-E75 PolarHBondContact O-N 3.02Å | ||
| 74 | N | 61.1 | Low | 76.1 | Confident | 137 Ų | 137 | 92.4 Ų | 92.4 | 73% | 0.733 | 52% | 0.518 | S | S | * | . | trans | -70.3 | 41.3 | 179.7 | -161.6 | 12.2 | 0 | 0 | 0 | 112.6 | T76 | N74-T76 PolarHBondContact O-N 3.43Š| ||
| 75 | E | 66.3 | Low | 76.2 | Confident | 107 Ų | 107 | 93.5 Ų | 93.5 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | trans | -82.5 | 100.9 | 176.5 | -70.4 | 175.4 | -161.2 | 0 | 0 | 107.4 | R73 L77 | R73-E75 HydrophobicContact CB-CG 4.13Å; R73-E75 PolarHBondContact O-N 3.02Å; E75-L77 VanDerWaalsContact C-N 3.28Å; E75-L77 PolarHBondContact O-N 3.5Å | ||
| 76 | T | 68.9 | Low | 76.1 | Confident | 12 Ų | 12 | 95.8 Ų | 95.8 | 7% | 0.074 | 53% | 0.529 | C | S | . | . | trans | -82.5 | 82.3 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | T63 N74 R89 | T63-T76 HydrophobicContact CG2-CG2 4.1Å; T63-T76 WeakPolarHBondContact OG1-CG2 3.47Å; N74-T76 PolarHBondContact O-N 3.43Å; T76-R89 VanDerWaalsContact CB-CZ 3.42Å; T76-R89 WeakPolarHBondContact O-CB 3.41Å; T76-R89 PolarHBondContact O-N 3.27Å; T76-R89 PolarHBondContact OG1-NE 3.23Å; T76-R89 PolarHBondContact OG1-NH2 2.98Å | ||
| 77 | L | 75.9 | Confident | 75.9 | Confident | 59 Ų | 59 | 94 Ų | 94 | 31% | 0.309 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 138.8 | 169 | -61.6 | 175.9 | 0 | 0 | 0 | 108.8 | A59 E75 V86 | A59-L77 WeakPolarHBondContact CB-O 3.48Å; E75-L77 VanDerWaalsContact C-N 3.28Å; E75-L77 PolarHBondContact O-N 3.5Å; L77-V86 HydrophobicContact CB-CG1 3.73Å; L77-V86 HydrophobicContact CD1-CG1 4.19Å; L77-V86 HydrophobicContact CD2-CG1 4.35Å; L77-V86 HydrophobicContact CG-CG1 4.31Å |
| 78 | D | 76.3 | Confident | 75.8 | Confident | 1 Ų | 1 | 94 Ų | 94 | 1% | 0.005 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 154.7 | 177.5 | -153.9 | 6.1 | 0 | 0 | 0 | 110.3 | G56 G57 A59 V86 D87 L92 | G56-D78 VanDerWaalsContact O-OD2 3.05Å; G57-D78 WeakPolarHBondContact CA-OD1 3.3Å; G57-D78 VanDerWaalsContact CA-OD2 3.26Å; G57-D78 WeakPolarHBondContact CA-OD2 3.48Å; G57-D78 PolarHBondContact N-OD2 2.96Å; A59-D78 HydrophobicContact CB-CB 3.59Å; A59-D78 WeakPolarHBondContact CB-OD1 3.4Å; A59-D78 PolarHBondContact N-OD1 3.49Å; D78-V86 WeakPolarHBondContact O-CA 3.28Å; D78-D87 PolarHBondContact N-O 3.39Å; D78-D87 PolarHBondContact O-N 2.96Å; D78-D87 VanDerWaalsContact O-O 3.13Å; D78-L92 HydrophobicContact CB-CD1 4.43Å |
| 79 | I | 81.3 | Confident | 75.4 | Confident | 81 Ų | 81 | 89.4 Ų | 89.4 | 42% | 0.415 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.4 | 172.7 | -63.2 | 164.7 | 0 | 0 | 0 | 107.6 | M62 G81 V86 | M62-I79 HydrophobicContact CE-CD1 4.11Å; M62-I79 HydrophobicContact CE-CG1 4.01Å; M62-I79 HydrophobicContact SD-CD1 4.35Å; I79-G81 PolarHBondContact O-N 3.01Å; I79-V86 HydrophobicContact CG1-CG2 4.49Å |
| 80 | N | 80.8 | Confident | 75 | Confident | 22 Ų | 22 | 87.3 Ų | 87.3 | 12% | 0.118 | 49% | 0.485 | C | S | . | . | trans | -73.2 | 112.4 | 175.3 | -176.5 | -21.5 | 0 | 0 | 0 | 109.7 | I82 T83 G84 E85 D87 L92 | N80-I82 PolarHBondContact O-N 3.05Å; N80-I82 VanDerWaalsContact O-N 3.11Å; N80-I82 WeakPolarHBondContact OD1-CB 3.43Å; N80-I82 PolarHBondContact OD1-N 3.2Å; N80-T83 VanDerWaalsContact CB-OG1 3.3Å; N80-T83 WeakPolarHBondContact CB-OG1 3.22Å; N80-T83 VanDerWaalsContact CG-OG1 3.23Å; N80-T83 PolarHBondContact ND2-OG1 3.06Å; N80-T83 PolarHBondContact O-N 2.95Å; N80-T83 PolarHBondContact OD1-N 2.76Å; N80-G84 VanDerWaalsContact O-CA 3.27Å; N80-G84 WeakPolarHBondContact O-CA 3.41Å; N80-G84 PolarHBondContact O-N 3.48Å; N80-E85 WeakPolarHBondContact CB-O 3.4Å; N80-E85 PolarHBondContact N-O 3.04Å; N80-D87 HydrophobicContact CB-CB 4.42Å; N80-D87 WeakPolarHBondContact CB-OD2 3.38Å; N80-D87 PolarHBondContact ND2-OD2 2.9Å; N80-L92 HydrophobicContact CB-CD1 4.35Å; N80-L92 HydrophobicContact CB-CD2 4.06Å | ||
| 81 | G | 80.9 | Confident | 75.1 | Confident | 80 Ų | 80 | 90.8 Ų | 90.8 | 83% | 0.825 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -10.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I79 | I79-G81 PolarHBondContact O-N 3.01Š|
| 82 | I | 84.3 | Confident | 75.1 | Confident | 162 Ų | 162 | 83.2 Ų | 83.2 | 83% | 0.831 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -46.3 | 178.5 | -57.4 | 174.8 | 0 | 0 | 0 | 110.9 | N80 | N80-I82 PolarHBondContact O-N 3.05Å; N80-I82 VanDerWaalsContact O-N 3.11Å; N80-I82 WeakPolarHBondContact OD1-CB 3.43Å; N80-I82 PolarHBondContact OD1-N 3.2Å |
| 83 | T | 86.7 | Confident | 76.2 | Confident | 80 Ų | 80 | 88 Ų | 88 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -24 | -177.6 | 60 | 0 | 0 | 0 | 0 | 113 | N80 E85 | N80-T83 VanDerWaalsContact CB-OG1 3.3Å; N80-T83 WeakPolarHBondContact CB-OG1 3.22Å; N80-T83 VanDerWaalsContact CG-OG1 3.23Å; N80-T83 PolarHBondContact ND2-OG1 3.06Å; N80-T83 PolarHBondContact O-N 2.95Å; N80-T83 PolarHBondContact OD1-N 2.76Å; T83-E85 PolarHBondContact O-N 3.19Å; T83-E85 PolarHBondContact OG1-N 2.82Å |
| 84 | G | 83.3 | Confident | 77.3 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | trans | 76.2 | 3.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N80 | N80-G84 VanDerWaalsContact O-CA 3.27Å; N80-G84 WeakPolarHBondContact O-CA 3.41Å; N80-G84 PolarHBondContact O-N 3.48Å | ||
| 85 | E | 85 | Confident | 78.5 | Confident | 128 Ų | 128 | 82.7 Ų | 82.7 | 60% | 0.598 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -90.5 | 159.6 | -179 | -62.5 | -173.3 | 162 | 0 | 0 | 112 | N80 T83 | N80-E85 WeakPolarHBondContact CB-O 3.4Å; N80-E85 PolarHBondContact N-O 3.04Å; T83-E85 PolarHBondContact O-N 3.19Å; T83-E85 PolarHBondContact OG1-N 2.82Å |
| 86 | V | 83.1 | Confident | 79.4 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.8 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | L77 D78 I79 | L77-V86 HydrophobicContact CB-CG1 3.73Å; L77-V86 HydrophobicContact CD1-CG1 4.19Å; L77-V86 HydrophobicContact CD2-CG1 4.35Å; L77-V86 HydrophobicContact CG-CG1 4.31Å; D78-V86 WeakPolarHBondContact O-CA 3.28Å; I79-V86 HydrophobicContact CG1-CG2 4.49Å |
| 87 | D | 78.9 | Confident | 80.4 | Confident | 44 Ų | 44 | 79.7 Ų | 79.7 | 24% | 0.235 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 160.3 | -176.7 | -90.7 | -42.6 | 0 | 0 | 0 | 110.7 | D78 N80 R89 L92 | D78-D87 PolarHBondContact N-O 3.39Å; D78-D87 PolarHBondContact O-N 2.96Å; D78-D87 VanDerWaalsContact O-O 3.13Å; N80-D87 HydrophobicContact CB-CB 4.42Å; N80-D87 WeakPolarHBondContact CB-OD2 3.38Å; N80-D87 PolarHBondContact ND2-OD2 2.9Å; D87-R89 PolarHBondContact O-N 3.2Å; D87-L92 HydrophobicContact CB-CD1 3.5Å |
| 88 | D | 78.6 | Confident | 81 | Confident | 69 Ų | 69 | 80 Ų | 80 | 37% | 0.369 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.7 | 169.9 | -71.7 | -56.4 | 0 | 0 | 0 | 110.3 | N90 K91 | D88-N90 PolarHBondContact O-N 3.27Å; D88-K91 HydrophobicContact CB-CD 4.08Å; D88-K91 HydrophobicContact CB-CG 4.23Å; D88-K91 WeakPolarHBondContact O-CB 3.32Å; D88-K91 PolarHBondContact O-N 3.44Å; D88-K91 WeakPolarHBondContact OD2-CE 3.38Å; D88-K91 IonicContact OD2-NZ 2.76Å; D88-K91 PolarHBondContact OD2-NZ 3.45Å |
| 89 | R | 71.9 | Confident | 81.5 | Confident | 68 Ų | 68 | 81.5 Ų | 81.5 | 26% | 0.257 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -43.6 | -43.9 | 172.2 | 179.9 | -148.8 | -12.3 | -174 | 21.7 | 112.6 | P55 T76 D87 K91 L92 | P55-R89 VanDerWaalsContact CB-CD 3.47Å; P55-R89 HydrophobicContact CB-CG 3.67Å; P55-R89 HydrophobicContact CG-CG 4.26Å; T76-R89 VanDerWaalsContact CB-CZ 3.42Å; T76-R89 WeakPolarHBondContact O-CB 3.41Å; T76-R89 PolarHBondContact O-N 3.27Å; T76-R89 PolarHBondContact OG1-NE 3.23Å; T76-R89 PolarHBondContact OG1-NH2 2.98Å; D87-R89 PolarHBondContact O-N 3.2Å; R89-K91 PolarHBondContact O-N 2.97Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.35Å |
| 90 | N | 71.5 | Confident | 81.8 | Confident | 120 Ų | 120 | 80.1 Ų | 80.1 | 64% | 0.642 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -66.4 | -20.8 | -172.9 | -68.5 | -26.6 | 0 | 0 | 0 | 113.5 | D88 | D88-N90 PolarHBondContact O-N 3.27Š|
| 91 | K | 74.5 | Confident | 82 | Confident | 146 Ų | 146 | 83.8 Ų | 83.8 | 64% | 0.635 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -82 | -26.8 | 175.3 | -65 | 171.4 | -178.6 | 148.2 | 0 | 111.4 | D88 R89 | D88-K91 HydrophobicContact CB-CD 4.08Å; D88-K91 HydrophobicContact CB-CG 4.23Å; D88-K91 WeakPolarHBondContact O-CB 3.32Å; D88-K91 PolarHBondContact O-N 3.44Å; D88-K91 WeakPolarHBondContact OD2-CE 3.38Å; D88-K91 IonicContact OD2-NZ 2.76Å; D88-K91 PolarHBondContact OD2-NZ 3.45Å; R89-K91 PolarHBondContact O-N 2.97Å |
| 92 | L | 70.1 | Confident | 82.1 | Confident | 25 Ų | 25 | 82 Ų | 82 | 13% | 0.131 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -86.2 | 115.5 | 172.9 | -75.7 | 113.5 | 0 | 0 | 0 | 110.7 | D78 N80 D87 R89 V94 | D78-L92 HydrophobicContact CB-CD1 4.43Å; N80-L92 HydrophobicContact CB-CD1 4.35Å; N80-L92 HydrophobicContact CB-CD2 4.06Å; D87-L92 HydrophobicContact CB-CD1 3.5Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.35Å; L92-V94 HydrophobicContact CD2-CG2 4.49Å; L92-V94 PolarHBondContact O-N 3.49Å |
| 93 | N | 80.4 | Confident | 82.2 | Confident | 148 Ų | 148 | 80.3 Ų | 80.3 | 79% | 0.791 | 42% | 0.422 | S | S | * | . | trans | -74.6 | 28.7 | 174.6 | -75.9 | -36.4 | 0 | 0 | 0 | 113.5 | ||||
| 94 | V | 83 | Confident | 81.9 | Confident | 76 Ų | 76 | 80.2 Ų | 80.2 | 46% | 0.461 | 42% | 0.421 | S | S | . | . | trans | -98.8 | 117.7 | 179.6 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | G56 L92 | G56-V94 WeakPolarHBondContact CA-O 3.38Å; G56-V94 PolarHBondContact N-O 3.37Å; L92-V94 HydrophobicContact CD2-CG2 4.49Å; L92-V94 PolarHBondContact O-N 3.49Å | ||
| 95 | R | 86.5 | Confident | 81.9 | Confident | 154 Ų | 154 | 79.8 Ų | 79.8 | 58% | 0.581 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 145.2 | -175.8 | -63.2 | -171.7 | -179.5 | -178.9 | 0.8 | 111.4 | V53 L54 | V53-R95 HydrophobicContact CB-CB 4.45Å; L54-R95 WeakPolarHBondContact O-CA 3.16Å |
| 96 | N | 86.7 | Confident | 82 | Confident | 46 Ų | 46 | 77.4 Ų | 77.4 | 25% | 0.246 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.3 | 175.7 | -69.9 | -41.6 | 0 | 0 | 0 | 110.4 | L54 R101 | L54-N96 PolarHBondContact N-O 3.46Å; L54-N96 PolarHBondContact O-N 2.85Å; N96-R101 HydrophobicContact CB-CG 4.31Å; N96-R101 PolarHBondContact ND2-NH2 2.95Å |
| 97 | P | 89.2 | Confident | 82 | Confident | 10 Ų | 10 | 78.2 Ų | 78.2 | 7% | 0.065 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 138.8 | 171.4 | 30 | -38 | 0 | 0 | 0 | 110.6 | V43 V47 T99 V100 | V43-P97 HydrophobicContact CG1-CG 3.89Å; V47-P97 HydrophobicContact CG2-CB 3.98Å; P97-T99 PolarHBondContact O-N 2.95Å; P97-V100 HydrophobicContact CB-CG2 4.38Å; P97-V100 HydrophobicContact CG-CB 3.88Å; P97-V100 HydrophobicContact CG-CG2 3.44Å; P97-V100 VanDerWaalsContact CG-CG2 3.44Å; P97-V100 PolarHBondContact O-N 3.07Å |
| 98 | L | 88.2 | Confident | 82.3 | Confident | 66 Ų | 66 | 81.4 Ų | 81.4 | 35% | 0.346 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 178.8 | 176.6 | 62.8 | 0 | 0 | 0 | 112 | K52 L54 V100 R101 A102 | K52-L98 HydrophobicContact CB-CB 4.09Å; K52-L98 HydrophobicContact CB-CD2 3.87Å; K52-L98 HydrophobicContact CD-CD2 3.84Å; K52-L98 WeakPolarHBondContact O-CB 3.23Å; K52-L98 PolarHBondContact O-N 3.02Å; K52-L98 VanDerWaalsContact O-N 3.1Å; L54-L98 HydrophobicContact CD1-CB 4.41Å; L54-L98 HydrophobicContact CD1-CD1 3.62Å; L54-L98 HydrophobicContact CD2-CD1 4.23Å; L54-L98 HydrophobicContact CG-CB 4.38Å; L54-L98 HydrophobicContact CG-CD1 4.04Å; L98-V100 PolarHBondContact O-N 2.86Å; L98-R101 PolarHBondContact O-N 3.38Å; L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.24Å |
| 99 | T | 87.5 | Confident | 82.6 | Confident | 32 Ų | 32 | 85 Ų | 85 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | -175.2 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | N46 N50 P97 A102 Q103 | N46-T99 WeakPolarHBondContact CB-OG1 3.39Å; N50-T99 HydrophobicContact CB-CG2 4Å; P97-T99 PolarHBondContact O-N 2.95Å; T99-A102 PolarHBondContact O-N 3.35Å; T99-Q103 VanDerWaalsContact O-CB 3.23Å; T99-Q103 WeakPolarHBondContact O-CB 3.47Å; T99-Q103 PolarHBondContact O-N 3Å |
| 100 | V | 86.1 | Confident | 83.5 | Confident | 52 Ų | 52 | 90.8 Ų | 90.8 | 32% | 0.315 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | -178.2 | 176.7 | 0 | 0 | 0 | 0 | 111 | V43 P97 L98 T104 | V43-V100 HydrophobicContact CG2-CG2 4.44Å; P97-V100 HydrophobicContact CB-CG2 4.38Å; P97-V100 HydrophobicContact CG-CB 3.88Å; P97-V100 HydrophobicContact CG-CG2 3.44Å; P97-V100 VanDerWaalsContact CG-CG2 3.44Å; P97-V100 PolarHBondContact O-N 3.07Å; L98-V100 PolarHBondContact O-N 2.86Å; V100-T104 PolarHBondContact O-N 3.49Å; V100-T104 PolarHBondContact O-OG1 3.16Å |
| 101 | R | 85.9 | Confident | 84.4 | Confident | 98 Ų | 98 | 89.4 Ų | 89.4 | 37% | 0.37 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 177.7 | -70.6 | -62.2 | -164 | 137.1 | 10 | 111.9 | L54 E61 N96 L98 A105 | L54-R101 HydrophobicContact CD1-CB 4.15Å; L54-R101 HydrophobicContact CD1-CG 4.2Å; E61-R101 IonicContact OE1-CZ 3.28Å; E61-R101 VanDerWaalsContact OE1-CZ 3.28Å; E61-R101 IonicContact OE1-NH1 2.62Å; E61-R101 PolarHBondContact OE1-NH1 2.79Å; E61-R101 IonicContact OE1-NH2 3.29Å; E61-R101 PolarHBondContact OE1-NH2 3.41Å; N96-R101 HydrophobicContact CB-CG 4.31Å; N96-R101 PolarHBondContact ND2-NH2 2.95Å; L98-R101 PolarHBondContact O-N 3.38Å; R101-A105 PolarHBondContact O-N 3.12Å |
| 102 | A | 83.8 | Confident | 85.2 | Confident | 42 Ų | 42 | 90.1 Ų | 90.1 | 35% | 0.347 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L98 T99 T104 A105 I106 | L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.24Å; T99-A102 PolarHBondContact O-N 3.35Å; A102-T104 PolarHBondContact O-N 2.87Å; A102-A105 PolarHBondContact O-N 3.32Å; A102-I106 WeakPolarHBondContact O-CD1 3.35Å; A102-I106 VanDerWaalsContact O-CG1 3.25Å; A102-I106 WeakPolarHBondContact O-CG1 3.3Å; A102-I106 PolarHBondContact O-N 3.49Å |
| 103 | Q | 84.5 | Confident | 86.2 | Confident | 128 Ų | 128 | 95.9 Ų | 95.9 | 60% | 0.598 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | -179 | -176.6 | 176.5 | 10.8 | 0 | 0 | 112.1 | T99 A105 I106 L107 | T99-Q103 VanDerWaalsContact O-CB 3.23Å; T99-Q103 WeakPolarHBondContact O-CB 3.47Å; T99-Q103 PolarHBondContact O-N 3Å; Q103-A105 PolarHBondContact O-N 3.33Å; Q103-I106 PolarHBondContact O-N 3.11Å; Q103-L107 PolarHBondContact O-N 3.4Å |
| 104 | T | 82.4 | Confident | 86.7 | Confident | 77 Ų | 77 | 95.8 Ų | 95.8 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 179 | -51 | 0 | 0 | 0 | 0 | 111 | V100 A102 L107 L108 | V100-T104 PolarHBondContact O-N 3.49Å; V100-T104 PolarHBondContact O-OG1 3.16Å; A102-T104 PolarHBondContact O-N 2.87Å; T104-L107 PolarHBondContact O-N 3.39Å; T104-L108 HydrophobicContact CG2-CD1 4.36Å; T104-L108 WeakPolarHBondContact O-CG 3.01Å; T104-L108 PolarHBondContact O-N 2.95Å; T104-L108 VanDerWaalsContact O-N 3.09Å |
| 105 | A | 82.4 | Confident | 86.8 | Confident | 49 Ų | 49 | 99.1 Ų | 99.1 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R101 A102 Q103 L107 L108 M109 | R101-A105 PolarHBondContact O-N 3.12Å; A102-A105 PolarHBondContact O-N 3.32Å; Q103-A105 PolarHBondContact O-N 3.33Å; A105-L107 PolarHBondContact O-N 2.94Å; A105-L108 PolarHBondContact O-N 2.95Å; A105-M109 VanDerWaalsContact O-CG 3.31Å; A105-M109 WeakPolarHBondContact O-CG 3.47Å; A105-M109 PolarHBondContact O-N 2.88Å |
| 106 | I | 86.1 | Confident | 86.7 | Confident | 78 Ų | 78 | 96.9 Ų | 96.9 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 178.2 | -67.2 | 163.3 | 0 | 0 | 0 | 111.5 | A102 Q103 M109 R110 | A102-I106 WeakPolarHBondContact O-CD1 3.35Å; A102-I106 VanDerWaalsContact O-CG1 3.25Å; A102-I106 WeakPolarHBondContact O-CG1 3.3Å; A102-I106 PolarHBondContact O-N 3.49Å; Q103-I106 PolarHBondContact O-N 3.11Å; I106-M109 HydrophobicContact CB-CE 4.41Å; I106-M109 HydrophobicContact CG1-CE 3.99Å; I106-M109 PolarHBondContact O-N 3.43Å; I106-R110 WeakPolarHBondContact O-CG 3.13Å; I106-R110 PolarHBondContact O-N 2.84Å |
| 107 | L | 83.8 | Confident | 86.6 | Confident | 115 Ų | 115 | 98.3 Ų | 98.3 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 178.6 | -176.3 | 64.5 | 0 | 0 | 0 | 111.5 | Q103 T104 A105 M109 R110 | Q103-L107 PolarHBondContact O-N 3.4Å; T104-L107 PolarHBondContact O-N 3.39Å; A105-L107 PolarHBondContact O-N 2.94Å; L107-M109 VanDerWaalsContact C-N 3.31Å; L107-M109 PolarHBondContact O-N 2.94Å; L107-R110 PolarHBondContact O-N 3.27Å; L107-R110 VanDerWaalsContact O-N 3.14Å |
| 108 | L | 86.2 | Confident | 86.2 | Confident | 110 Ų | 110 | 103.7 Ų | 103.7 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.1 | -37.3 | 176.4 | -70.3 | 171.9 | 0 | 0 | 0 | 112.1 | T104 A105 R110 I111 | T104-L108 HydrophobicContact CG2-CD1 4.36Å; T104-L108 WeakPolarHBondContact O-CG 3.01Å; T104-L108 PolarHBondContact O-N 2.95Å; T104-L108 VanDerWaalsContact O-N 3.09Å; A105-L108 PolarHBondContact O-N 2.95Å; L108-R110 PolarHBondContact O-N 3.08Å; L108-I111 HydrophobicContact CD2-CD1 4Å; L108-I111 PolarHBondContact O-N 3.21Å |
| 109 | M | 84.1 | Confident | 85.4 | Confident | 146 Ų | 146 | 109.5 Ų | 109.5 | 72% | 0.719 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -14.1 | 176 | -73.5 | -172.3 | -62.3 | 0 | 0 | 114.1 | A105 I106 L107 | A105-M109 VanDerWaalsContact O-CG 3.31Å; A105-M109 WeakPolarHBondContact O-CG 3.47Å; A105-M109 PolarHBondContact O-N 2.88Å; I106-M109 HydrophobicContact CB-CE 4.41Å; I106-M109 HydrophobicContact CG1-CE 3.99Å; I106-M109 PolarHBondContact O-N 3.43Å; L107-M109 VanDerWaalsContact C-N 3.31Å; L107-M109 PolarHBondContact O-N 2.94Å |
| 110 | R | 89.8 | Confident | 84.4 | Confident | 188 Ų | 188 | 116.2 Ų | 116.2 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -0.6 | 178.3 | -70.4 | 175 | 179.1 | -171.1 | -0.6 | 113.6 | I106 L107 L108 D112 | I106-R110 WeakPolarHBondContact O-CG 3.13Å; I106-R110 PolarHBondContact O-N 2.84Å; L107-R110 PolarHBondContact O-N 3.27Å; L107-R110 VanDerWaalsContact O-N 3.14Å; L108-R110 PolarHBondContact O-N 3.08Å; R110-D112 PolarHBondContact O-N 3.49Å |
| 111 | I | 90.3 | Very high | 83.2 | Confident | 91 Ų | 91 | 123.5 Ų | 123.5 | 47% | 0.467 | 65% | 0.647 | S | S | . | * | trans | -83.3 | 103.1 | 177.6 | -57.5 | 174.3 | 0 | 0 | 0 | 107.6 | L108 I114 | L108-I111 HydrophobicContact CD2-CD1 4Å; L108-I111 PolarHBondContact O-N 3.21Å; I111-I114 HydrophobicContact CG2-CD1 4.38Å; I111-I114 HydrophobicContact CG2-CG1 3.74Å | ||
| 112 | D | 92.2 | Very high | 81.5 | Confident | 162 Ų | 162 | 124.7 Ų | 124.7 | 87% | 0.866 | 67% | 0.665 | S | S | * | * | trans | -83.1 | -37.1 | 177.6 | -67.5 | -37.9 | 0 | 0 | 0 | 112.3 | R110 | R110-D112 PolarHBondContact O-N 3.49Š| ||
| 113 | E | 91.9 | Very high | 80.1 | Confident | 145 Ų | 145 | 130.4 Ų | 130.4 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | trans | -143 | 137.9 | -177.3 | -170.5 | 177.1 | 179 | 0 | 0 | 111 | L115 | E113-L115 HydrophobicContact CG-CG 4.31Š| ||
| 114 | I | 89.2 | Confident | 78.8 | Confident | 146 Ų | 146 | 127.9 Ų | 127.9 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | trans | -109.9 | 107.4 | 170.8 | -57.8 | 176 | 0 | 0 | 0 | 107.6 | I111 | I111-I114 HydrophobicContact CG2-CD1 4.38Å; I111-I114 HydrophobicContact CG2-CG1 3.74Å | ||
| 115 | L | 86.5 | Confident | 77.2 | Confident | 147 Ų | 147 | 132.4 Ų | 132.4 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | -90 | 115.3 | 171.2 | -74.9 | 157.2 | 0 | 0 | 0 | 109.1 | E113 | E113-L115 HydrophobicContact CG-CG 4.31Š| ||
| 116 | S | 85 | Confident | 75.7 | Confident | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -96.7 | 113 | 172.2 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 117 | G | 83.5 | Confident | 73.8 | Confident | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | -96.1 | 109.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 118 | V | 80.3 | Confident | 72 | Confident | 123 Ų | 123 | 143.9 Ų | 143.9 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | trans | -85.9 | 109.7 | 166.2 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | E120 | V118-E120 PolarHBondContact O-N 3.28Š| ||
| 119 | Q | 72.2 | Confident | 69.8 | Low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -78 | 112.7 | 161.3 | -76.1 | -173.6 | -5.4 | 0 | 0 | 107.7 | K121 | Q119-K121 PolarHBondContact O-N 3.25Š| ||
| 120 | E | 66 | Low | 67.5 | Low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -62.9 | 122.8 | 161.2 | -77.4 | -172 | 151.7 | 0 | 0 | 108.2 | V118 T122 | V118-E120 PolarHBondContact O-N 3.28Å; E120-T122 PolarHBondContact O-N 3.26Å | ||
| 121 | K | 60.4 | Low | 66.3 | Low | 204 Ų | 204 | 148.2 Ų | 148.2 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -66.3 | 103.5 | 166.4 | -79.9 | -176 | 175.3 | -179.8 | 0 | 107.6 | Q119 D123 | Q119-K121 PolarHBondContact O-N 3.25Å; K121-D123 PolarHBondContact O-N 3.21Å | ||
| 122 | T | 50.8 | Low | 65.1 | Low | 124 Ų | 124 | 151.2 Ų | 151.2 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | trans | -75 | 118.1 | 161.9 | -30.6 | 0 | 0 | 0 | 0 | 107.4 | E120 A124 | E120-T122 PolarHBondContact O-N 3.26Å; T122-A124 PolarHBondContact O-N 3Å | ||
| 123 | D | 53.8 | Low | 63.6 | Low | 161 Ų | 161 | 150.6 Ų | 150.6 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -57.4 | 94.9 | 169.6 | -72.1 | -50.1 | 0 | 0 | 0 | 109.8 | K121 | K121-D123 PolarHBondContact O-N 3.21Š| ||
| 124 | A | 58.1 | Low | 61.9 | Low | 75 Ų | 75 | 150.9 Ų | 150.9 | 62% | 0.62 | 83% | 0.828 | S | S | * | * | trans | -130.6 | -5.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | T122 | T122-A124 PolarHBondContact O-N 3Š| ||
| 125 | D | 49.7 | Very low | 60.2 | Low | 172 Ų | 172 | 151.3 Ų | 151.3 | 92% | 0.92 | 83% | 0.833 | S | S | * | * | trans | -107.7 | 38.2 | -177.6 | -102.3 | -5.2 | 0 | 0 | 0 | 114.5 | ||||
| 126 | K | 50.8 | Low | 58.5 | Low | 207 Ų | 207 | 151.5 Ų | 151.5 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | trans | -95.2 | 17.8 | 174.3 | -93.3 | -172.1 | -179.6 | 176 | 0 | 115.2 | ||||
| 127 | S | 45.8 | Very low | 56.6 | Low | 99 Ų | 99 | 154.7 Ų | 154.7 | 69% | 0.692 | 84% | 0.843 | S | S | * | * | trans | -150.1 | 73.5 | -179.1 | 60.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 128 | E | 45.8 | Very low | 54.5 | Low | 177 Ų | 177 | 160.8 Ų | 160.8 | 83% | 0.827 | 85% | 0.848 | S | S | * | * | trans | -152.6 | 85.2 | 143.6 | -113.5 | 169.4 | -172.3 | 0 | 0 | 106.1 | ||||
| 129 | Q | 39 | Very low | 52.4 | Low | 171 Ų | 171 | 163.9 Ų | 163.9 | 80% | 0.799 | 86% | 0.857 | S | S | * | * | 83.9 | 102.6 | 95.9 | -80.7 | -179.2 | 24.8 | 0 | 0 | 110.8 | |||||
| 130 | T | 35.9 | Very low | 50.5 | Low | 216 Ų | 216 | 161.8 Ų | 161.8 | 100% | 1.325 | 86% | 0.855 | S | S | * | * | trans | 16.6 | 0 | 130.2 | -47.4 | 0 | 0 | 0 | 0 | 117.8 |
Retrieved 130 of 130 residues in 29.3 ms
(Link to these results)