| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 54 | Low | 218 Ų | 218 | 132.4 Ų | 132.4 | 100% | 1.074 | 73% | 0.729 | S | S | * | * | 0 | 106.5 | 0 | -68.5 | -171.1 | -64.7 | 0 | 0 | 106 | |||||
| 2 | I | 44.5 | Very low | 54.3 | Low | 176 Ų | 176 | 132.7 Ų | 132.7 | 90% | 0.903 | 72% | 0.722 | S | S | * | * | trans | -98.7 | 104.9 | 172.7 | -62 | 170.8 | 0 | 0 | 0 | 103.8 | A4 | I2-A4 PolarHBondContact O-N 2.69Š| ||
| 3 | E | 50 | Low | 54.7 | Low | 164 Ų | 164 | 128.5 Ų | 128.5 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | trans | -71.9 | 118.2 | -178.9 | -63.5 | 175.6 | -164.6 | 0 | 0 | 107.7 | N5 | E3-N5 PolarHBondContact O-N 2.74Š| ||
| 4 | A | 54.1 | Low | 55.1 | Low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 69% | 0.693 | S | S | * | * | trans | -69.4 | 98.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | I2 | I2-A4 PolarHBondContact O-N 2.69Š| ||
| 5 | N | 53.2 | Low | 55.2 | Low | 130 Ų | 130 | 127.3 Ų | 127.3 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | trans | -123.6 | 56.1 | 179.1 | -164.4 | 41.7 | 0 | 0 | 0 | 111 | E3 | E3-N5 PolarHBondContact O-N 2.74Š| ||
| 6 | D | 59.4 | Low | 55.4 | Low | 129 Ų | 129 | 124.3 Ų | 124.3 | 69% | 0.69 | 68% | 0.679 | S | S | * | * | trans | -116.9 | -1.2 | -173.1 | -60.7 | 2.7 | 0 | 0 | 0 | 112.8 | L10 | D6-L10 PolarHBondContact O-N 3.38Š| ||
| 7 | G | 56.3 | Low | 55.6 | Low | 58 Ų | 58 | 128.2 Ų | 128.2 | 60% | 0.598 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67 | -47.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K9 L10 E11 | G7-K9 VanDerWaalsContact C-N 3.26Å; G7-K9 PolarHBondContact O-N 3.11Å; G7-L10 PolarHBondContact O-N 3.41Å; G7-E11 PolarHBondContact O-N 3.37Å |
| 8 | S | 58.5 | Low | 55.8 | Low | 86 Ų | 86 | 129.9 Ų | 129.9 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67 | -28.6 | -178.2 | -50.7 | 0 | 0 | 0 | 0 | 113.1 | E12 | S8-E12 PolarHBondContact O-N 3.33Å |
| 9 | K | 59.2 | Low | 56 | Low | 151 Ų | 151 | 130.6 Ų | 130.6 | 66% | 0.657 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -76.3 | -26.9 | -179.2 | -146 | 175.7 | -169.8 | 179.9 | 0 | 112.2 | G7 V13 | G7-K9 VanDerWaalsContact C-N 3.26Å; G7-K9 PolarHBondContact O-N 3.11Å; K9-V13 WeakPolarHBondContact O-CG2 3.21Å; K9-V13 PolarHBondContact O-N 3.01Å |
| 10 | L | 60.5 | Low | 56.2 | Low | 112 Ų | 112 | 127.9 Ų | 127.9 | 59% | 0.586 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.1 | -40.1 | 174.9 | -175.8 | 63.3 | 0 | 0 | 0 | 111.4 | D6 G7 V13 L14 | D6-L10 PolarHBondContact O-N 3.38Å; G7-L10 PolarHBondContact O-N 3.41Å; L10-V13 PolarHBondContact O-N 3.3Å; L10-L14 HydrophobicContact CG-CD1 4.33Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 3.42Å |
| 11 | E | 59.8 | Low | 56.4 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 60% | 0.603 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -59.9 | -46.9 | 174.5 | -115.3 | 177.3 | -179.3 | 0 | 0 | 111.3 | G7 V13 L14 E15 | G7-E11 PolarHBondContact O-N 3.37Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 3.02Å; E11-L14 PolarHBondContact O-N 3.39Å; E11-L14 VanDerWaalsContact O-N 3.09Å; E11-E15 PolarHBondContact O-N 3.07Å |
| 12 | E | 57.3 | Low | 57.3 | Low | 136 Ų | 136 | 127.4 Ų | 127.4 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -60.4 | -36.6 | 177.7 | -170.9 | -178.5 | -174.6 | 0 | 0 | 112.7 | S8 | S8-E12 PolarHBondContact O-N 3.33Å |
| 13 | V | 59.9 | Low | 57.9 | Low | 79 Ų | 79 | 121.6 Ų | 121.6 | 48% | 0.479 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68.5 | -43 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | K9 L10 E11 S16 | K9-V13 WeakPolarHBondContact O-CG2 3.21Å; K9-V13 PolarHBondContact O-N 3.01Å; L10-V13 PolarHBondContact O-N 3.3Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 3.02Å; V13-S16 WeakPolarHBondContact O-CB 3.45Å; V13-S16 PolarHBondContact O-N 3.32Å |
| 14 | L | 59.8 | Low | 58.3 | Low | 108 Ų | 108 | 119.6 Ų | 119.6 | 57% | 0.565 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | -178.1 | -72 | 170.9 | 0 | 0 | 0 | 112.3 | L10 E11 S16 W17 | L10-L14 HydrophobicContact CG-CD1 4.33Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 3.42Å; E11-L14 PolarHBondContact O-N 3.39Å; E11-L14 VanDerWaalsContact O-N 3.09Å; L14-S16 PolarHBondContact O-N 3.49Å; L14-W17 PolarHBondContact O-N 2.92Å; L14-W17 VanDerWaalsContact O-N 3.12Å |
| 15 | E | 57.2 | Low | 58.7 | Low | 130 Ų | 130 | 118.3 Ų | 118.3 | 61% | 0.607 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61 | -31.9 | 176.5 | -70.9 | 177.9 | 177.4 | 0 | 0 | 112 | E11 W17 E18 | E11-E15 PolarHBondContact O-N 3.07Å; E15-W17 VanDerWaalsContact C-N 3.28Å; E15-W17 PolarHBondContact O-N 2.92Å; E15-E18 PolarHBondContact O-N 2.88Å |
| 16 | S | 58.3 | Low | 59.3 | Low | 80 Ų | 80 | 117.8 Ų | 117.8 | 56% | 0.559 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.5 | -18.5 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 114.5 | V13 L14 | V13-S16 WeakPolarHBondContact O-CB 3.45Å; V13-S16 PolarHBondContact O-N 3.32Å; L14-S16 PolarHBondContact O-N 3.49Å |
| 17 | W | 58.1 | Low | 60.2 | Low | 190 Ų | 190 | 113.4 Ų | 113.4 | 72% | 0.72 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -83.8 | -28 | 179.4 | -73.8 | 81.4 | 0 | 0 | 0 | 112.8 | L14 E15 | L14-W17 PolarHBondContact O-N 2.92Å; L14-W17 VanDerWaalsContact O-N 3.12Å; E15-W17 VanDerWaalsContact C-N 3.28Å; E15-W17 PolarHBondContact O-N 2.92Å |
| 18 | E | 59.8 | Low | 61.4 | Low | 160 Ų | 160 | 114.1 Ų | 114.1 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.4 | -36.1 | 177.6 | -69 | -168.3 | 138.5 | 0 | 0 | 111.3 | E15 A20 | E15-E18 PolarHBondContact O-N 2.88Å; E18-A20 VanDerWaalsContact C-N 3.27Å; E18-A20 PolarHBondContact O-N 2.94Å |
| 19 | D | 59.1 | Low | 62.7 | Low | 142 Ų | 142 | 115.7 Ų | 115.7 | 76% | 0.759 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -13.7 | 179.3 | -76.3 | -19 | 0 | 0 | 0 | 114.3 | Q21 | D19-Q21 PolarHBondContact O-N 3.48Š|
| 20 | A | 60.4 | Low | 64.2 | Low | 76 Ų | 76 | 113.1 Ų | 113.1 | 63% | 0.628 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -11.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E18 | E18-A20 VanDerWaalsContact C-N 3.27Å; E18-A20 PolarHBondContact O-N 2.94Å |
| 21 | Q | 59.7 | Low | 65.6 | Low | 170 Ų | 170 | 114.6 Ų | 114.6 | 79% | 0.794 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -92.3 | -31.7 | -171.9 | -65.3 | -140.9 | -39.5 | 0 | 0 | 115.2 | D19 | D19-Q21 PolarHBondContact O-N 3.48Š|
| 22 | D | 57.4 | Low | 67.2 | Low | 167 Ų | 167 | 112.3 Ų | 112.3 | 89% | 0.893 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -99.4 | -1.1 | -166.6 | -85.5 | -9.9 | 0 | 0 | 0 | 115.6 | ||
| 23 | G | 57.6 | Low | 68.9 | Low | 54 Ų | 54 | 113.5 Ų | 113.5 | 56% | 0.557 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -108.2 | -29.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 24 | V | 59 | Low | 70.6 | Confident | 121 Ų | 121 | 114.5 Ų | 114.5 | 73% | 0.733 | 60% | 0.604 | S | S | * | * | trans | -144.4 | 82.6 | -150.4 | -161.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 25 | T | 61.8 | Low | 72.2 | Confident | 76 Ų | 76 | 113 Ų | 113 | 47% | 0.466 | 60% | 0.602 | S | S | . | * | -143.3 | 87.8 | 121.8 | 27 | 0 | 0 | 0 | 0 | 109.2 | G27 L28 | T25-G27 PolarHBondContact O-N 3.34Å; T25-L28 WeakPolarHBondContact O-CB 3.41Å; T25-L28 PolarHBondContact O-N 2.95Å; T25-L28 WeakPolarHBondContact OG1-CB 3.45Å | |||
| 26 | P | 66.6 | Low | 74.1 | Confident | 120 Ų | 120 | 112.3 Ų | 112.3 | 78% | 0.779 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 119.7 | 172.4 | -24.2 | 34 | 0 | 0 | 0 | 109.4 | ||
| 27 | G | 77.1 | Confident | 75.8 | Confident | 37 Ų | 37 | 115.4 Ų | 115.4 | 38% | 0.381 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.9 | 9.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | T25 D29 Q30 R31 | T25-G27 PolarHBondContact O-N 3.34Å; G27-D29 VanDerWaalsContact C-N 3.32Å; G27-Q30 PolarHBondContact O-N 2.95Å; G27-R31 WeakPolarHBondContact O-CG 3.36Å; G27-R31 PolarHBondContact O-N 3.35Å |
| 28 | L | 83.2 | Confident | 77.6 | Confident | 72 Ų | 72 | 111.6 Ų | 111.6 | 38% | 0.377 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -57.3 | -47.7 | 166.8 | 178.9 | 62.6 | 0 | 0 | 0 | 110.8 | T25 Q30 R31 I32 | T25-L28 WeakPolarHBondContact O-CB 3.41Å; T25-L28 PolarHBondContact O-N 2.95Å; T25-L28 WeakPolarHBondContact OG1-CB 3.45Å; L28-Q30 PolarHBondContact O-N 3.4Å; L28-R31 PolarHBondContact O-N 2.93Å; L28-R31 VanDerWaalsContact O-N 3.13Å; L28-I32 HydrophobicContact CD1-CD1 4.09Å; L28-I32 HydrophobicContact CD1-CG1 4.24Å; L28-I32 HydrophobicContact CD2-CD1 4.41Å; L28-I32 HydrophobicContact CG-CD1 3.79Å; L28-I32 HydrophobicContact CG-CG1 4.36Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.39Å; L28-I32 PolarHBondContact O-N 3.19Å |
| 29 | D | 86 | Confident | 79.2 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.6 | -36.5 | 176.2 | -63.3 | -34.4 | 0 | 0 | 0 | 112.3 | G27 I32 R33 | G27-D29 VanDerWaalsContact C-N 3.32Å; D29-I32 PolarHBondContact O-N 3.46Å; D29-R33 WeakPolarHBondContact O-CB 3.45Å; D29-R33 VanDerWaalsContact O-CG 3.3Å; D29-R33 WeakPolarHBondContact O-CG 3.5Å; D29-R33 PolarHBondContact O-N 3.47Å |
| 30 | Q | 90 | Very high | 80.9 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 46% | 0.458 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -45.5 | 176.2 | -174.7 | 58.5 | 33.9 | 0 | 0 | 111.5 | G27 L28 I32 R33 E34 | G27-Q30 PolarHBondContact O-N 2.95Å; L28-Q30 PolarHBondContact O-N 3.4Å; Q30-I32 VanDerWaalsContact C-N 3.35Å; Q30-R33 PolarHBondContact O-N 2.92Å; Q30-E34 WeakPolarHBondContact O-CB 3.45Å; Q30-E34 PolarHBondContact O-N 3.37Å |
| 31 | R | 90.6 | Very high | 82.4 | Confident | 142 Ų | 142 | 108 Ų | 108 | 54% | 0.536 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.6 | -39.2 | 175.7 | -71.7 | -174.4 | -66 | 167.4 | 0.7 | 112 | G27 L28 E34 C35 | G27-R31 WeakPolarHBondContact O-CG 3.36Å; G27-R31 PolarHBondContact O-N 3.35Å; L28-R31 PolarHBondContact O-N 2.93Å; L28-R31 VanDerWaalsContact O-N 3.13Å; R31-E34 PolarHBondContact O-N 3.47Å; R31-C35 VanDerWaalsContact O-CB 3.27Å; R31-C35 WeakPolarHBondContact O-CB 3.43Å; R31-C35 PolarHBondContact O-N 2.88Å |
| 32 | I | 92.7 | Very high | 84 | Confident | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.415 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 174.8 | -69.6 | 169.5 | 0 | 0 | 0 | 109.9 | L28 D29 Q30 E34 C35 L36 | L28-I32 HydrophobicContact CD1-CD1 4.09Å; L28-I32 HydrophobicContact CD1-CG1 4.24Å; L28-I32 HydrophobicContact CD2-CD1 4.41Å; L28-I32 HydrophobicContact CG-CD1 3.79Å; L28-I32 HydrophobicContact CG-CG1 4.36Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.39Å; L28-I32 PolarHBondContact O-N 3.19Å; D29-I32 PolarHBondContact O-N 3.46Å; Q30-I32 VanDerWaalsContact C-N 3.35Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.49Å; I32-C35 PolarHBondContact O-N 2.88Å; I32-L36 HydrophobicContact CG2-CD1 4.12Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.43Å |
| 33 | R | 92.9 | Very high | 85.7 | Confident | 161 Ų | 161 | 101.4 Ų | 101.4 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 177.4 | -74.9 | -171 | -60.8 | -161.8 | 2.5 | 112.6 | D29 Q30 K37 | D29-R33 WeakPolarHBondContact O-CB 3.45Å; D29-R33 VanDerWaalsContact O-CG 3.3Å; D29-R33 WeakPolarHBondContact O-CG 3.5Å; D29-R33 PolarHBondContact O-N 3.47Å; Q30-R33 PolarHBondContact O-N 2.92Å; R33-K37 WeakPolarHBondContact O-CB 3.41Å; R33-K37 PolarHBondContact O-N 3.32Å |
| 34 | E | 94.9 | Very high | 87.3 | Confident | 100 Ų | 100 | 104.2 Ų | 104.2 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 176.9 | -174 | 174.7 | -173.6 | 0 | 0 | 112 | Q30 R31 I32 L36 K37 Q38 | Q30-E34 WeakPolarHBondContact O-CB 3.45Å; Q30-E34 PolarHBondContact O-N 3.37Å; R31-E34 PolarHBondContact O-N 3.47Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.49Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 2.92Å; E34-K37 PolarHBondContact O-N 3.41Å; E34-Q38 WeakPolarHBondContact O-CG 3.2Å; E34-Q38 PolarHBondContact O-N 3.2Å |
| 35 | C | 94.7 | Very high | 88.8 | Confident | 78 Ų | 78 | 104.4 Ų | 104.4 | 53% | 0.527 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | R31 I32 Q38 N39 | R31-C35 VanDerWaalsContact O-CB 3.27Å; R31-C35 WeakPolarHBondContact O-CB 3.43Å; R31-C35 PolarHBondContact O-N 2.88Å; I32-C35 PolarHBondContact O-N 2.88Å; C35-Q38 PolarHBondContact O-N 3.14Å; C35-N39 WeakPolarHBondContact O-CB 3.47Å; C35-N39 PolarHBondContact O-N 2.91Å |
| 36 | L | 95.6 | Very high | 90.1 | Very high | 114 Ų | 114 | 106.6 Ų | 106.6 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 176 | -70.3 | 174.7 | 0 | 0 | 0 | 112.1 | I32 E34 N39 E40 | I32-L36 HydrophobicContact CG2-CD1 4.12Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.43Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 2.92Å; L36-N39 PolarHBondContact O-N 3.28Å; L36-E40 PolarHBondContact O-N 3.35Å |
| 37 | K | 95.6 | Very high | 91.2 | Very high | 146 Ų | 146 | 106.8 Ų | 106.8 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 176.4 | -176.9 | -175.6 | 170 | -170.2 | 0 | 111.7 | R33 E34 N39 E40 E41 | R33-K37 WeakPolarHBondContact O-CB 3.41Å; R33-K37 PolarHBondContact O-N 3.32Å; E34-K37 PolarHBondContact O-N 3.41Å; K37-N39 VanDerWaalsContact C-N 3.32Å; K37-N39 PolarHBondContact O-N 3.18Å; K37-E40 PolarHBondContact O-N 3.3Å; K37-E41 PolarHBondContact O-N 2.97Å |
| 38 | Q | 94.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 109.9 Ų | 109.9 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 177.2 | -72.4 | 175.5 | -6.9 | 0 | 0 | 111.8 | E34 C35 E41 A42 | E34-Q38 WeakPolarHBondContact O-CG 3.2Å; E34-Q38 PolarHBondContact O-N 3.2Å; C35-Q38 PolarHBondContact O-N 3.14Å; Q38-E41 PolarHBondContact O-N 2.92Å; Q38-A42 WeakPolarHBondContact O-CB 3.3Å; Q38-A42 PolarHBondContact O-N 3.23Å |
| 39 | N | 94.1 | Very high | 91.7 | Very high | 109 Ų | 109 | 111 Ų | 111 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 177.1 | -166.9 | -82.3 | 0 | 0 | 0 | 111.8 | C35 L36 K37 R43 | C35-N39 WeakPolarHBondContact O-CB 3.47Å; C35-N39 PolarHBondContact O-N 2.91Å; L36-N39 PolarHBondContact O-N 3.28Å; K37-N39 VanDerWaalsContact C-N 3.32Å; K37-N39 PolarHBondContact O-N 3.18Å; N39-R43 WeakPolarHBondContact O-CB 3.43Å; N39-R43 PolarHBondContact O-N 2.91Å |
| 40 | E | 94.8 | Very high | 91.5 | Very high | 89 Ų | 89 | 110 Ų | 110 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.3 | -167.5 | -173.4 | 161.1 | 0 | 0 | 112.1 | L36 K37 R43 K44 | L36-E40 PolarHBondContact O-N 3.35Å; K37-E40 PolarHBondContact O-N 3.3Å; E40-R43 PolarHBondContact O-N 2.97Å; E40-K44 WeakPolarHBondContact O-CG 3.5Å; E40-K44 PolarHBondContact O-N 3.2Å; E40-K44 WeakPolarHBondContact OE1-CE 3.31Å; E40-K44 IonicContact OE1-NZ 2.69Å; E40-K44 PolarHBondContact OE1-NZ 3.31Å |
| 41 | E | 92.6 | Very high | 90.9 | Very high | 103 Ų | 103 | 110.6 Ų | 110.6 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 175.6 | -172.7 | 165.6 | -155.3 | 0 | 0 | 111.3 | K37 Q38 R43 K44 E45 | K37-E41 PolarHBondContact O-N 2.97Å; Q38-E41 PolarHBondContact O-N 2.92Å; E41-R43 VanDerWaalsContact C-N 3.28Å; E41-R43 PolarHBondContact O-N 3.32Å; E41-K44 PolarHBondContact O-N 3.05Å; E41-E45 WeakPolarHBondContact O-CG 3.35Å; E41-E45 PolarHBondContact O-N 3.23Å |
| 42 | A | 93.4 | Very high | 90.2 | Very high | 52 Ų | 52 | 108.9 Ų | 108.9 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.9 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q38 E45 Q46 | Q38-A42 WeakPolarHBondContact O-CB 3.3Å; Q38-A42 PolarHBondContact O-N 3.23Å; A42-E45 PolarHBondContact O-N 2.92Å; A42-Q46 WeakPolarHBondContact O-CB 3.41Å; A42-Q46 PolarHBondContact O-N 3.28Å |
| 43 | R | 92.1 | Very high | 89 | Confident | 147 Ų | 147 | 109.9 Ų | 109.9 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -40.7 | 175.6 | -168.4 | -175.4 | 69.8 | 174.2 | -0.3 | 111.8 | N39 E40 E41 Q46 E47 | N39-R43 WeakPolarHBondContact O-CB 3.43Å; N39-R43 PolarHBondContact O-N 2.91Å; E40-R43 PolarHBondContact O-N 2.97Å; E41-R43 VanDerWaalsContact C-N 3.28Å; E41-R43 PolarHBondContact O-N 3.32Å; R43-Q46 PolarHBondContact O-N 3.43Å; R43-E47 WeakPolarHBondContact O-CB 3.45Å; R43-E47 PolarHBondContact O-N 3.47Å |
| 44 | K | 92.4 | Very high | 87.6 | Confident | 113 Ų | 113 | 106.3 Ų | 106.3 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.5 | -74.2 | 172.6 | -175.7 | 165.5 | 0 | 111.8 | E40 E41 E47 L48 | E40-K44 WeakPolarHBondContact O-CG 3.5Å; E40-K44 PolarHBondContact O-N 3.2Å; E40-K44 WeakPolarHBondContact OE1-CE 3.31Å; E40-K44 IonicContact OE1-NZ 2.69Å; E40-K44 PolarHBondContact OE1-NZ 3.31Å; E41-K44 PolarHBondContact O-N 3.05Å; K44-E47 PolarHBondContact O-N 3.44Å; K44-L48 WeakPolarHBondContact O-CB 3.41Å; K44-L48 PolarHBondContact O-N 2.9Å |
| 45 | E | 89.2 | Confident | 85.9 | Confident | 126 Ų | 126 | 108.7 Ų | 108.7 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 174.5 | -71.8 | -179.2 | 172.1 | 0 | 0 | 111.4 | E41 A42 E47 L48 L49 | E41-E45 WeakPolarHBondContact O-CG 3.35Å; E41-E45 PolarHBondContact O-N 3.23Å; A42-E45 PolarHBondContact O-N 2.92Å; E45-E47 PolarHBondContact O-N 3.43Å; E45-L48 PolarHBondContact O-N 3.42Å; E45-L49 WeakPolarHBondContact O-CB 3.4Å; E45-L49 PolarHBondContact O-N 3.46Å |
| 46 | Q | 89.4 | Confident | 84 | Confident | 122 Ų | 122 | 111.4 Ų | 111.4 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 175.2 | -175.1 | -177.9 | 40.5 | 0 | 0 | 111.7 | A42 R43 L49 L50 | A42-Q46 WeakPolarHBondContact O-CB 3.41Å; A42-Q46 PolarHBondContact O-N 3.28Å; R43-Q46 PolarHBondContact O-N 3.43Å; Q46-L49 PolarHBondContact O-N 3Å; Q46-L50 HydrophobicContact CG-CD1 4Å; Q46-L50 WeakPolarHBondContact O-CB 3.33Å; Q46-L50 WeakPolarHBondContact O-CD1 3.34Å; Q46-L50 WeakPolarHBondContact O-CG 3.32Å; Q46-L50 PolarHBondContact O-N 3.3Å |
| 47 | E | 89.3 | Confident | 81.8 | Confident | 124 Ų | 124 | 109.8 Ų | 109.8 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 177.3 | -174.3 | 177.2 | -179.5 | 0 | 0 | 111.8 | R43 K44 E45 L50 Q51 | R43-E47 WeakPolarHBondContact O-CB 3.45Å; R43-E47 PolarHBondContact O-N 3.47Å; K44-E47 PolarHBondContact O-N 3.44Å; E45-E47 PolarHBondContact O-N 3.43Å; E47-L50 PolarHBondContact O-N 2.95Å; E47-Q51 PolarHBondContact O-N 2.88Å |
| 48 | L | 85.5 | Confident | 79.4 | Confident | 102 Ų | 102 | 109.7 Ų | 109.7 | 53% | 0.534 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.5 | -43.6 | 176.5 | -168 | 145.6 | 0 | 0 | 0 | 111.3 | K44 E45 L50 Q51 E52 | K44-L48 WeakPolarHBondContact O-CB 3.41Å; K44-L48 PolarHBondContact O-N 2.9Å; E45-L48 PolarHBondContact O-N 3.42Å; L48-L50 PolarHBondContact O-N 3.04Å; L48-Q51 PolarHBondContact O-N 3.38Å; L48-E52 HydrophobicContact CD2-CG 4.26Å; L48-E52 PolarHBondContact O-N 2.93Å |
| 49 | L | 84.9 | Confident | 77.1 | Confident | 94 Ų | 94 | 108.4 Ų | 108.4 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.4 | -41.1 | 176.9 | -173 | 66.7 | 0 | 0 | 0 | 112.1 | E45 Q46 Q51 E52 Q53 | E45-L49 WeakPolarHBondContact O-CB 3.4Å; E45-L49 PolarHBondContact O-N 3.46Å; Q46-L49 PolarHBondContact O-N 3Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-E52 PolarHBondContact O-N 3.05Å; L49-Q53 WeakPolarHBondContact O-CB 3.47Å; L49-Q53 WeakPolarHBondContact O-CG 3.46Å; L49-Q53 PolarHBondContact O-N 2.93Å |
| 50 | L | 82 | Confident | 74.8 | Confident | 100 Ų | 100 | 111.6 Ų | 111.6 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.1 | -39.5 | 173.9 | -79.3 | 159.8 | 0 | 0 | 0 | 111.6 | Q46 E47 L48 Q53 S54 | Q46-L50 HydrophobicContact CG-CD1 4Å; Q46-L50 WeakPolarHBondContact O-CB 3.33Å; Q46-L50 WeakPolarHBondContact O-CD1 3.34Å; Q46-L50 WeakPolarHBondContact O-CG 3.32Å; Q46-L50 PolarHBondContact O-N 3.3Å; E47-L50 PolarHBondContact O-N 2.95Å; L48-L50 PolarHBondContact O-N 3.04Å; L50-Q53 PolarHBondContact O-N 3.4Å; L50-S54 WeakPolarHBondContact O-CB 3.27Å; L50-S54 PolarHBondContact O-N 3.38Å; L50-S54 PolarHBondContact O-OG 2.77Å |
| 51 | Q | 79 | Confident | 72.5 | Confident | 110 Ų | 110 | 113.6 Ų | 113.6 | 51% | 0.514 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 175.9 | -170.1 | -179.2 | 89.1 | 0 | 0 | 111.6 | E47 L48 L49 S54 K55 | E47-Q51 PolarHBondContact O-N 2.88Å; L48-Q51 PolarHBondContact O-N 3.38Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; Q51-S54 WeakPolarHBondContact CA-OG 3.39Å; Q51-S54 PolarHBondContact O-N 3.36Å; Q51-S54 PolarHBondContact O-OG 3.23Å; Q51-K55 PolarHBondContact O-N 3.23Å |
| 52 | E | 75 | Confident | 70.4 | Confident | 106 Ų | 106 | 115 Ų | 115 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.6 | -41.4 | 174.5 | -70.4 | -165.9 | 138.2 | 0 | 0 | 112.5 | L48 L49 S54 K55 N56 | L48-E52 HydrophobicContact CD2-CG 4.26Å; L48-E52 PolarHBondContact O-N 2.93Å; L49-E52 PolarHBondContact O-N 3.05Å; E52-S54 VanDerWaalsContact C-N 3.34Å; E52-S54 PolarHBondContact O-N 2.93Å; E52-K55 PolarHBondContact O-N 3.13Å; E52-N56 PolarHBondContact O-N 2.83Å |
| 53 | Q | 67.8 | Low | 68.5 | Low | 101 Ų | 101 | 121.1 Ų | 121.1 | 47% | 0.472 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.3 | -42.7 | 173.4 | -76.3 | -175.3 | 35.3 | 0 | 0 | 111.4 | L49 L50 K55 N56 V57 | L49-Q53 WeakPolarHBondContact O-CB 3.47Å; L49-Q53 WeakPolarHBondContact O-CG 3.46Å; L49-Q53 PolarHBondContact O-N 2.93Å; L50-Q53 PolarHBondContact O-N 3.4Å; Q53-K55 PolarHBondContact O-N 3.24Å; Q53-K55 VanDerWaalsContact O-N 3.11Å; Q53-N56 CarbonylContact O-C 3.58Å; Q53-N56 PolarHBondContact O-N 2.73Å; Q53-V57 HydrophobicContact CB-CG2 4.47Å; Q53-V57 WeakPolarHBondContact O-CG2 3.49Å; Q53-V57 PolarHBondContact O-N 3.49Å |
| 54 | S | 62.3 | Low | 66.8 | Low | 87 Ų | 87 | 118.2 Ų | 118.2 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63 | -19.8 | 178.9 | 68.2 | 0 | 0 | 0 | 0 | 114 | L50 Q51 E52 | L50-S54 WeakPolarHBondContact O-CB 3.27Å; L50-S54 PolarHBondContact O-N 3.38Å; L50-S54 PolarHBondContact O-OG 2.77Å; Q51-S54 WeakPolarHBondContact CA-OG 3.39Å; Q51-S54 PolarHBondContact O-N 3.36Å; Q51-S54 PolarHBondContact O-OG 3.23Å; E52-S54 VanDerWaalsContact C-N 3.34Å; E52-S54 PolarHBondContact O-N 2.93Å |
| 55 | K | 60.4 | Low | 65.2 | Low | 149 Ų | 149 | 118.8 Ų | 118.8 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.9 | -21.6 | 172 | -67.4 | 174.5 | -173.8 | 168.1 | 0 | 113.4 | Q51 E52 Q53 | Q51-K55 PolarHBondContact O-N 3.23Å; E52-K55 PolarHBondContact O-N 3.13Å; Q53-K55 PolarHBondContact O-N 3.24Å; Q53-K55 VanDerWaalsContact O-N 3.11Å |
| 56 | N | 54.1 | Low | 63.9 | Low | 136 Ų | 136 | 119.3 Ų | 119.3 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -107.9 | -9.4 | -177.1 | -67.4 | -28.3 | 0 | 0 | 0 | 113.9 | E52 Q53 T58 | E52-N56 PolarHBondContact O-N 2.83Å; Q53-N56 CarbonylContact O-C 3.58Å; Q53-N56 PolarHBondContact O-N 2.73Å; N56-T58 PolarHBondContact O-N 3.3Å |
| 57 | V | 49.1 | Very low | 62.4 | Low | 80 Ų | 80 | 119 Ų | 119 | 49% | 0.485 | 63% | 0.633 | S | S | . | * | trans | -96.3 | 64.2 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | Q53 A59 | Q53-V57 HydrophobicContact CB-CG2 4.47Å; Q53-V57 WeakPolarHBondContact O-CG2 3.49Å; Q53-V57 PolarHBondContact O-N 3.49Å; V57-A59 VanDerWaalsContact C-N 3.3Å | ||
| 58 | T | 46.7 | Very low | 61 | Low | 144 Ų | 144 | 121.5 Ų | 121.5 | 88% | 0.883 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -92.2 | 4.6 | 152.7 | -36.4 | 0 | 0 | 0 | 0 | 111.1 | N56 | N56-T58 PolarHBondContact O-N 3.3Š|
| 59 | A | 46.4 | Very low | 59.7 | Low | 82 Ų | 82 | 124.2 Ų | 124.2 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -147.5 | 72.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V57 | V57-A59 VanDerWaalsContact C-N 3.3Š|
| 60 | Q | 45.2 | Very low | 58.6 | Low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | 173.1 | 73.7 | 150 | -96.7 | 169.7 | 6.7 | 0 | 0 | 109.2 | ||||
| 61 | N | 45.5 | Very low | 57.8 | Low | 131 Ų | 131 | 126.7 Ų | 126.7 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | trans | -112.3 | 76.9 | 174.1 | -177.2 | 34.3 | 0 | 0 | 0 | 108.3 | ||||
| 62 | V | 48.5 | Very low | 57.6 | Low | 133 Ų | 133 | 123.7 Ų | 123.7 | 81% | 0.806 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -138.1 | -11 | 172.4 | -169.5 | 0 | 0 | 0 | 0 | 115 | ||
| 63 | E | 54.2 | Low | 57.8 | Low | 180 Ų | 180 | 124.6 Ų | 124.6 | 84% | 0.841 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -120.2 | 6.4 | -175.3 | -61.3 | -159.9 | 155.8 | 0 | 0 | 117.2 | ||
| 64 | D | 56.4 | Low | 58.3 | Low | 87 Ų | 87 | 127.5 Ų | 127.5 | 47% | 0.465 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | -3.8 | 179.5 | -85.9 | -44 | 0 | 0 | 0 | 115.7 | N66 L67 R68 | D64-N66 VanDerWaalsContact C-N 3.27Å; D64-N66 PolarHBondContact O-N 3.44Å; D64-L67 PolarHBondContact O-N 3.26Å; D64-R68 PolarHBondContact O-N 3.31Å |
| 65 | D | 58.9 | Low | 59.3 | Low | 124 Ų | 124 | 134.6 Ų | 134.6 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -69.1 | -23.6 | -178.2 | -97 | -14.3 | 0 | 0 | 0 | 113.3 | M69 | D65-M69 WeakPolarHBondContact O-CG 3.47Å |
| 66 | N | 60.8 | Low | 60.4 | Low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -74 | -31.1 | 176.9 | -88.4 | -34.8 | 0 | 0 | 0 | 113.3 | D64 | D64-N66 VanDerWaalsContact C-N 3.27Å; D64-N66 PolarHBondContact O-N 3.44Å |
| 67 | L | 58.7 | Low | 61.9 | Low | 116 Ų | 116 | 136.5 Ų | 136.5 | 61% | 0.607 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -82.4 | -32.9 | -179.4 | -68.4 | 175.4 | 0 | 0 | 0 | 112.2 | D64 M69 L70 | D64-L67 PolarHBondContact O-N 3.26Å; L67-M69 VanDerWaalsContact C-N 3.28Å; L67-M69 PolarHBondContact O-N 2.86Å; L67-L70 HydrophobicContact CD2-CD1 4.32Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 2.92Å |
| 68 | R | 59.2 | Low | 63.6 | Low | 175 Ų | 175 | 140.4 Ų | 140.4 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -65.3 | -31.5 | 175.7 | -68.2 | -171.7 | -171.4 | 169.5 | 5.9 | 112.7 | D64 L70 S71 | D64-R68 PolarHBondContact O-N 3.31Å; R68-L70 PolarHBondContact O-N 3.21Å; R68-S71 PolarHBondContact O-N 2.95Å; R68-S71 VanDerWaalsContact O-N 3.14Å |
| 69 | M | 59.5 | Low | 65.3 | Low | 160 Ų | 160 | 141.9 Ų | 141.9 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -20.5 | 172.7 | -70.1 | -112.1 | 73.2 | 0 | 0 | 113.2 | D65 L67 | D65-M69 WeakPolarHBondContact O-CG 3.47Å; L67-M69 VanDerWaalsContact C-N 3.28Å; L67-M69 PolarHBondContact O-N 2.86Å |
| 70 | L | 61.5 | Low | 66.8 | Low | 138 Ų | 138 | 144.1 Ų | 144.1 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -8.5 | 177 | -61.4 | 175.8 | 0 | 0 | 0 | 113.6 | L67 R68 G72 | L67-L70 HydrophobicContact CD2-CD1 4.32Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 2.92Å; R68-L70 PolarHBondContact O-N 3.21Å; L70-G72 PolarHBondContact O-N 3.13Å |
| 71 | S | 65.4 | Low | 68.1 | Low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -79.6 | 35.2 | 176.4 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | R68 | R68-S71 PolarHBondContact O-N 2.95Å; R68-S71 VanDerWaalsContact O-N 3.14Å | ||
| 72 | G | 74.5 | Confident | 69 | Low | 47 Ų | 47 | 143.6 Ų | 143.6 | 49% | 0.485 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -82.7 | 151 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | L70 I74 | L70-G72 PolarHBondContact O-N 3.13Å; G72-I74 PolarHBondContact O-N 3.29Å |
| 73 | P | 79.8 | Confident | 69.4 | Low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -52 | 131.8 | 170.5 | -24.1 | 32.4 | 0 | 0 | 0 | 111.2 | R75 | P73-R75 PolarHBondContact O-N 3.25Š|
| 74 | I | 78.5 | Confident | 69.1 | Low | 162 Ų | 162 | 140.8 Ų | 140.8 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 120 | 178.4 | -62.5 | 167.9 | 0 | 0 | 0 | 108.6 | G72 | G72-I74 PolarHBondContact O-N 3.29Š|
| 75 | R | 81.8 | Confident | 68.6 | Low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | trans | -92.4 | 112.3 | 176 | -62 | -174.2 | -64.3 | -138.4 | -1 | 108.9 | P73 L77 | P73-R75 PolarHBondContact O-N 3.25Å; R75-L77 PolarHBondContact O-N 3.3Å | ||
| 76 | I | 84.7 | Confident | 67.9 | Low | 160 Ų | 160 | 143.4 Ų | 143.4 | 82% | 0.821 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 116.8 | 175.2 | -59.2 | 171.5 | 0 | 0 | 0 | 108.2 | K78 | I76-K78 PolarHBondContact O-N 3.47Š|
| 77 | L | 85.1 | Confident | 67.1 | Low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 119.8 | 174.9 | -174.6 | 63 | 0 | 0 | 0 | 109.2 | R75 R79 | R75-L77 PolarHBondContact O-N 3.3Å; L77-R79 PolarHBondContact O-N 3.3Å |
| 78 | K | 85.5 | Confident | 66.3 | Low | 163 Ų | 163 | 145 Ų | 145 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.4 | 177.8 | -173.3 | 174.1 | 176.6 | 178.1 | 0 | 109.2 | I76 | I76-K78 PolarHBondContact O-N 3.47Š|
| 79 | R | 81.2 | Confident | 65.5 | Low | 175 Ų | 175 | 140.2 Ų | 140.2 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131.1 | 175.3 | -63.8 | -177.5 | -179.5 | -147.5 | -4.8 | 108.9 | L77 Q81 D95 | L77-R79 PolarHBondContact O-N 3.3Å; R79-Q81 PolarHBondContact O-N 3.04Å; R79-D95 IonicContact CZ-OD2 3.51Å; R79-D95 IonicContact NH1-OD2 2.77Å; R79-D95 PolarHBondContact NH1-OD2 2.87Å; R79-D95 IonicContact NH2-OD2 3.4Å; R79-D95 PolarHBondContact NH2-OD2 3.07Å |
| 80 | P | 78.4 | Confident | 64.8 | Low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 126.9 | 176.2 | 21.1 | -29.9 | 0 | 0 | 0 | 109.1 | S82 | P80-S82 PolarHBondContact O-N 3.12Š|
| 81 | Q | 71.9 | Confident | 64.1 | Low | 171 Ų | 171 | 144.4 Ų | 144.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67 | 120.7 | 175.1 | -78.2 | -172.3 | -54.2 | 0 | 0 | 107.8 | R79 G83 | R79-Q81 PolarHBondContact O-N 3.04Å; Q81-G83 PolarHBondContact O-N 3.09Å |
| 82 | S | 65.6 | Low | 63.4 | Low | 124 Ų | 124 | 145.4 Ų | 145.4 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -59.5 | 81.2 | 173.4 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | P80 | P80-S82 PolarHBondContact O-N 3.12Š| ||
| 83 | G | 55.6 | Low | 62 | Low | 63 Ų | 63 | 148.9 Ų | 148.9 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | -98.9 | 90.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q81 | Q81-G83 PolarHBondContact O-N 3.09Š| ||
| 84 | K | 49.2 | Very low | 60.4 | Low | 192 Ų | 192 | 146.9 Ų | 146.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 3.8 | 125.4 | 150.6 | -49.5 | 175.6 | -172.4 | -176.7 | 0 | 114.5 | ||
| 85 | M | 45.9 | Very low | 58.9 | Low | 194 Ų | 194 | 143.9 Ų | 143.9 | 96% | 0.956 | 77% | 0.773 | S | S | * | * | trans | 77.9 | 107.8 | 173.3 | -83.1 | 131 | 89.8 | 0 | 0 | 117.1 | ||||
| 86 | G | 43.5 | Very low | 57.1 | Low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 155.8 | 76.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 87 | V | 44.6 | Very low | 55.4 | Low | 129 Ų | 129 | 135.3 Ų | 135.3 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | 35.1 | 130.3 | 141.3 | -140.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 88 | D | 41.8 | Very low | 53.7 | Low | 159 Ų | 159 | 130.8 Ų | 130.8 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | 67.3 | 87.7 | 161.9 | -60 | -37.5 | 0 | 0 | 0 | 117.6 | ||||
| 89 | G | 41.4 | Very low | 51.9 | Low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -176.5 | 89.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R91 | G89-R91 PolarHBondContact O-N 3.04Š| ||
| 90 | D | 45.1 | Very low | 50.1 | Low | 155 Ų | 155 | 124.6 Ų | 124.6 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | trans | -46.9 | 105.3 | 166.5 | -173.7 | 21 | 0 | 0 | 0 | 111.3 | ||||
| 91 | R | 46.6 | Very low | 48.5 | Very low | 230 Ų | 230 | 121.6 Ų | 121.6 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | trans | -177.6 | 96.8 | 154.7 | -105.2 | 165.5 | 157.2 | 122.7 | 0.6 | 110.1 | G89 N93 | G89-R91 PolarHBondContact O-N 3.04Å; R91-N93 PolarHBondContact O-N 2.77Å | ||
| 92 | V | 50.1 | Low | 47.4 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | -62.6 | 85.6 | 162.9 | -73.3 | 0 | 0 | 0 | 0 | 109.1 | C94 | V92-C94 VanDerWaalsContact C-N 3.32Å; V92-C94 PolarHBondContact O-N 3.37Å; V92-C94 VanDerWaalsContact O-N 3.13Å; V92-C94 PolarHBondContact O-SG 2.76Å | ||
| 93 | N | 46.8 | Very low | 46.7 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | trans | -81 | 87.1 | 170 | -160.2 | 21.2 | 0 | 0 | 0 | 107.7 | R91 D95 | R91-N93 PolarHBondContact O-N 2.77Å; N93-D95 PolarHBondContact O-N 3.48Å | ||
| 94 | C | 46.3 | Very low | 46.3 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 55% | 0.547 | 73% | 0.725 | S | S | . | * | trans | -76.9 | 58 | 177.9 | -43.8 | 0 | 0 | 0 | 0 | 110.6 | V92 D96 | V92-C94 VanDerWaalsContact C-N 3.32Å; V92-C94 PolarHBondContact O-N 3.37Å; V92-C94 VanDerWaalsContact O-N 3.13Å; V92-C94 PolarHBondContact O-SG 2.76Å; C94-D96 VanDerWaalsContact C-N 3.27Å | ||
| 95 | D | 45.5 | Very low | 46.2 | Very low | 99 Ų | 99 | 114.5 Ų | 114.5 | 53% | 0.529 | 71% | 0.707 | S | S | . | * | trans | -97.3 | 28.8 | 167.9 | -88.4 | -9.9 | 0 | 0 | 0 | 110.2 | R79 N93 P97 | R79-D95 IonicContact CZ-OD2 3.51Å; R79-D95 IonicContact NH1-OD2 2.77Å; R79-D95 PolarHBondContact NH1-OD2 2.87Å; R79-D95 IonicContact NH2-OD2 3.4Å; R79-D95 PolarHBondContact NH2-OD2 3.07Å; N93-D95 PolarHBondContact O-N 3.48Å; D95-P97 WeakPolarHBondContact O-CD 3.37Å | ||
| 96 | D | 44.8 | Very low | 46.3 | Very low | 105 Ų | 105 | 112.8 Ų | 112.8 | 56% | 0.561 | 70% | 0.701 | S | S | * | * | trans | -86.1 | 117.7 | 168 | -160.1 | -29 | 0 | 0 | 0 | 107.7 | C94 A98 C99 | C94-D96 VanDerWaalsContact C-N 3.27Å; D96-A98 HydrophobicContact CB-CB 4.47Å; D96-A98 PolarHBondContact O-N 3.24Å; D96-A98 WeakPolarHBondContact OD1-CB 3.35Å; D96-A98 PolarHBondContact OD1-N 3.32Å; D96-C99 WeakPolarHBondContact O-CB 3.48Å; D96-C99 PolarHBondContact O-N 3.39Å | ||
| 97 | P | 48.1 | Very low | 46.4 | Very low | 113 Ų | 113 | 110.7 Ų | 110.7 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -60.8 | -4.6 | 176.6 | 25.5 | -33.6 | 0 | 0 | 0 | 113.2 | D95 C99 S100 | D95-P97 WeakPolarHBondContact O-CD 3.37Å; P97-C99 PolarHBondContact O-N 3.29Å; P97-S100 PolarHBondContact O-N 3.32Å |
| 98 | A | 50.3 | Low | 47.1 | Very low | 68 Ų | 68 | 111.5 Ų | 111.5 | 56% | 0.562 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -63 | -15.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D96 S100 | D96-A98 HydrophobicContact CB-CB 4.47Å; D96-A98 PolarHBondContact O-N 3.24Å; D96-A98 WeakPolarHBondContact OD1-CB 3.35Å; D96-A98 PolarHBondContact OD1-N 3.32Å; A98-S100 VanDerWaalsContact C-N 3.26Å; A98-S100 PolarHBondContact O-N 3.3Å |
| 99 | C | 47.1 | Very low | 48.2 | Very low | 94 Ų | 94 | 107.6 Ų | 107.6 | 64% | 0.635 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -75.6 | -9.8 | 173.5 | -88.7 | 0 | 0 | 0 | 0 | 113.9 | D96 P97 | D96-C99 WeakPolarHBondContact O-CB 3.48Å; D96-C99 PolarHBondContact O-N 3.39Å; P97-C99 PolarHBondContact O-N 3.29Å |
| 100 | S | 44.7 | Very low | 49.3 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -108.1 | 27.6 | -179.1 | -69.3 | 0 | 0 | 0 | 0 | 114.5 | P97 A98 | P97-S100 PolarHBondContact O-N 3.32Å; A98-S100 VanDerWaalsContact C-N 3.26Å; A98-S100 PolarHBondContact O-N 3.3Å |
| 101 | S | 43.4 | Very low | 50.9 | Low | 65 Ų | 65 | 110.1 Ų | 110.1 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | trans | -119.5 | 98.4 | 156.3 | 66.8 | 0 | 0 | 0 | 0 | 108.4 | I103 | S101-I103 PolarHBondContact O-N 3.48Š| ||
| 102 | A | 49.1 | Very low | 52.9 | Low | 107 Ų | 107 | 102.5 Ų | 102.5 | 88% | 0.884 | 64% | 0.643 | S | S | * | * | trans | -66.2 | 40.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P104 | A102-P104 WeakPolarHBondContact O-CD 3.33Š| ||
| 103 | I | 51.6 | Low | 54.6 | Low | 126 Ų | 126 | 101.6 Ų | 101.6 | 65% | 0.646 | 63% | 0.632 | S | S | * | * | trans | -92.1 | 108.1 | 167.4 | -55.2 | 173.8 | 0 | 0 | 0 | 103.9 | S101 G105 | S101-I103 PolarHBondContact O-N 3.48Å; I103-G105 PolarHBondContact O-N 3.32Å | ||
| 104 | P | 46.1 | Very low | 56.6 | Low | 126 Ų | 126 | 99 Ų | 99 | 82% | 0.818 | 63% | 0.628 | S | S | * | * | trans | -70.6 | 83.6 | 177.3 | 29.6 | -32 | 0 | 0 | 0 | 108 | A102 | A102-P104 WeakPolarHBondContact O-CD 3.33Š| ||
| 105 | G | 46.5 | Very low | 58.7 | Low | 43 Ų | 43 | 99.5 Ų | 99.5 | 44% | 0.443 | 62% | 0.622 | S | S | . | * | trans | -155.1 | 96.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I103 G107 | I103-G105 PolarHBondContact O-N 3.32Å; G105-G107 PolarHBondContact O-N 3.02Å | ||
| 106 | N | 48.6 | Very low | 61 | Low | 157 Ų | 157 | 101 Ų | 101 | 84% | 0.84 | 62% | 0.62 | S | S | * | * | trans | 56.7 | 48.8 | 149.8 | -57.6 | 13 | 0 | 0 | 0 | 117.7 | ||||
| 107 | G | 46.9 | Very low | 63.2 | Low | 27 Ų | 27 | 98.8 Ų | 98.8 | 28% | 0.278 | 61% | 0.61 | S | S | . | * | trans | -70.2 | 156 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G105 G109 Y110 | G105-G107 PolarHBondContact O-N 3.02Å; G107-G109 PolarHBondContact O-N 3.42Å; G107-Y110 VanDerWaalsContact CA-CD2 3.46Å; G107-Y110 VanDerWaalsContact O-CD2 3.29Å; G107-Y110 WeakPolarHBondContact O-CD2 3.29Å; G107-Y110 PolarHBondContact O-N 3.41Å | ||
| 108 | P | 58.1 | Low | 65.3 | Low | 147 Ų | 147 | 95.2 Ų | 95.2 | 96% | 0.955 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 101.4 | 171.3 | 27.2 | -31 | 0 | 0 | 0 | 109.2 | ||
| 109 | G | 65.6 | Low | 67.3 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 78% | 0.784 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.2 | -6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G107 R111 | G107-G109 PolarHBondContact O-N 3.42Å; G109-R111 PolarHBondContact O-N 3.06Å |
| 110 | Y | 63.3 | Low | 69.6 | Low | 159 Ų | 159 | 95.1 Ų | 95.1 | 62% | 0.624 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 122.8 | 173.1 | -72.4 | -97.3 | 0 | 0 | 0 | 110.4 | G107 | G107-Y110 VanDerWaalsContact CA-CD2 3.46Å; G107-Y110 VanDerWaalsContact O-CD2 3.29Å; G107-Y110 WeakPolarHBondContact O-CD2 3.29Å; G107-Y110 PolarHBondContact O-N 3.41Å |
| 111 | R | 80.1 | Confident | 72 | Confident | 124 Ų | 124 | 89.9 Ų | 89.9 | 47% | 0.468 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 145 | 169.9 | -68.6 | -159.7 | -88.7 | 165.7 | 1.3 | 110.8 | G109 E115 R116 T119 | G109-R111 PolarHBondContact O-N 3.06Å; R111-E115 WeakPolarHBondContact CA-OE2 3.21Å; R111-E115 HydrophobicContact CB-CB 4.3Å; R111-E115 HydrophobicContact CB-CG 4.2Å; R111-E115 WeakPolarHBondContact CB-OE2 3.44Å; R111-E115 WeakPolarHBondContact CD-OE1 2.88Å; R111-E115 WeakPolarHBondContact CG-OE2 3.46Å; R111-E115 IonicContact NH1-OE1 3.84Å; R111-R116 HydrophobicContact CB-CG 4.11Å; R111-T119 PolarHBondContact NH1-OG1 2.88Å |
| 112 | S | 87.5 | Confident | 74.5 | Confident | 71 Ų | 71 | 93.6 Ų | 93.6 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 151.3 | 177.6 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | A114 E115 R116 | S112-A114 PolarHBondContact O-N 2.9Å; S112-E115 PolarHBondContact N-OE2 3.39Å; S112-E115 WeakPolarHBondContact O-CB 3.36Å; S112-E115 PolarHBondContact O-N 3.46Å; S112-R116 PolarHBondContact O-N 3.28Å |
| 113 | I | 86.5 | Confident | 76.7 | Confident | 111 Ų | 111 | 91 Ų | 91 | 57% | 0.569 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -55.5 | -42.1 | 176.4 | -171.9 | 64.2 | 0 | 0 | 0 | 111.3 | E115 R116 V117 | I113-E115 VanDerWaalsContact C-N 3.28Å; I113-E115 PolarHBondContact O-N 3.2Å; I113-R116 PolarHBondContact O-N 2.77Å; I113-V117 HydrophobicContact CD1-CG2 4.46Å; I113-V117 HydrophobicContact CG1-CG2 4.37Å; I113-V117 VanDerWaalsContact O-CG2 3.31Å; I113-V117 WeakPolarHBondContact O-CG2 3.5Å; I113-V117 PolarHBondContact O-N 2.88Å |
| 114 | A | 87.7 | Confident | 78.9 | Confident | 66 Ų | 66 | 88.5 Ų | 88.5 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S112 V117 A118 | S112-A114 PolarHBondContact O-N 2.9Å; A114-V117 PolarHBondContact O-N 3.47Å; A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.32Å; A114-A118 PolarHBondContact O-N 3Å |
| 115 | E | 91.7 | Very high | 81.3 | Confident | 90 Ų | 90 | 88.3 Ų | 88.3 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 177.7 | -171 | -175.5 | 174.3 | 0 | 0 | 112.1 | R111 S112 I113 A118 T119 | R111-E115 WeakPolarHBondContact CA-OE2 3.21Å; R111-E115 HydrophobicContact CB-CB 4.3Å; R111-E115 HydrophobicContact CB-CG 4.2Å; R111-E115 WeakPolarHBondContact CB-OE2 3.44Å; R111-E115 WeakPolarHBondContact CD-OE1 2.88Å; R111-E115 WeakPolarHBondContact CG-OE2 3.46Å; R111-E115 IonicContact NH1-OE1 3.84Å; S112-E115 PolarHBondContact N-OE2 3.39Å; S112-E115 WeakPolarHBondContact O-CB 3.36Å; S112-E115 PolarHBondContact O-N 3.46Å; I113-E115 VanDerWaalsContact C-N 3.28Å; I113-E115 PolarHBondContact O-N 3.2Å; E115-A118 PolarHBondContact O-N 2.93Å; E115-T119 WeakPolarHBondContact O-CB 3.37Å; E115-T119 PolarHBondContact O-N 3.36Å; E115-T119 PolarHBondContact O-OG1 3.03Å |
| 116 | R | 92.6 | Very high | 83.7 | Confident | 130 Ų | 130 | 95.8 Ų | 95.8 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 174.6 | -69.7 | -167.4 | -66.9 | 173.5 | -1.6 | 111.5 | R111 S112 I113 T119 Y120 | R111-R116 HydrophobicContact CB-CG 4.11Å; S112-R116 PolarHBondContact O-N 3.28Å; I113-R116 PolarHBondContact O-N 2.77Å; R116-T119 PolarHBondContact O-N 3.22Å; R116-Y120 WeakPolarHBondContact O-CB 3.31Å; R116-Y120 PolarHBondContact O-N 3.44Å |
| 117 | V | 91.9 | Very high | 86 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 177 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | I113 A114 Y120 N121 Y135 | I113-V117 HydrophobicContact CD1-CG2 4.46Å; I113-V117 HydrophobicContact CG1-CG2 4.37Å; I113-V117 VanDerWaalsContact O-CG2 3.31Å; I113-V117 WeakPolarHBondContact O-CG2 3.5Å; I113-V117 PolarHBondContact O-N 2.88Å; A114-V117 PolarHBondContact O-N 3.47Å; V117-Y120 PolarHBondContact O-N 2.86Å; V117-N121 WeakPolarHBondContact O-CB 3.31Å; V117-N121 PolarHBondContact O-N 2.84Å; V117-N121 PolarHBondContact O-ND2 3.4Å; V117-Y135 HydrophobicContact CG1-CD2 3.52Å; V117-Y135 HydrophobicContact CG1-CE2 3.77Å |
| 118 | A | 91.5 | Very high | 88.3 | Confident | 39 Ų | 39 | 99.1 Ų | 99.1 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A114 E115 Y120 N121 E122 | A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.32Å; A114-A118 PolarHBondContact O-N 3Å; E115-A118 PolarHBondContact O-N 2.93Å; A118-Y120 PolarHBondContact O-N 2.88Å; A118-N121 PolarHBondContact O-N 3.38Å; A118-E122 PolarHBondContact O-N 3.46Å |
| 119 | T | 93.5 | Very high | 90.1 | Very high | 37 Ų | 37 | 94.7 Ų | 94.7 | 23% | 0.227 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61 | -44 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | R111 E115 R116 N121 E122 V123 | R111-T119 PolarHBondContact NH1-OG1 2.88Å; E115-T119 WeakPolarHBondContact O-CB 3.37Å; E115-T119 PolarHBondContact O-N 3.36Å; E115-T119 PolarHBondContact O-OG1 3.03Å; R116-T119 PolarHBondContact O-N 3.22Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact O-N 2.98Å; T119-E122 PolarHBondContact O-N 2.85Å; T119-V123 WeakPolarHBondContact O-CG2 3.4Å; T119-V123 PolarHBondContact O-N 3.34Å |
| 120 | Y | 95.3 | Very high | 91.3 | Very high | 122 Ų | 122 | 94 Ų | 94 | 48% | 0.478 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 176.7 | 175.4 | -100.7 | 0 | 0 | 0 | 111.4 | R116 V117 A118 V123 R124 | R116-Y120 WeakPolarHBondContact O-CB 3.31Å; R116-Y120 PolarHBondContact O-N 3.44Å; V117-Y120 PolarHBondContact O-N 2.86Å; A118-Y120 PolarHBondContact O-N 2.88Å; Y120-V123 PolarHBondContact O-N 3.01Å; Y120-R124 VanDerWaalsContact O-CB 3.32Å; Y120-R124 WeakPolarHBondContact O-CB 3.34Å; Y120-R124 PolarHBondContact O-N 3.41Å; Y120-R124 PolarHBondContact OH-NH1 3.07Å |
| 121 | N | 94.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 88 Ų | 88 | 3% | 0.032 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 179.9 | -84.8 | -75.6 | 0 | 0 | 0 | 113.3 | V117 A118 T119 R124 F125 D132 Y135 | V117-N121 WeakPolarHBondContact O-CB 3.31Å; V117-N121 PolarHBondContact O-N 2.84Å; V117-N121 PolarHBondContact O-ND2 3.4Å; A118-N121 PolarHBondContact O-N 3.38Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact O-N 2.98Å; N121-R124 PolarHBondContact O-N 3.3Å; N121-F125 WeakPolarHBondContact O-CB 3.48Å; N121-F125 PolarHBondContact O-N 2.87Å; N121-D132 WeakPolarHBondContact OD1-CB 3.32Å; N121-D132 PolarHBondContact OD1-N 3.38Å; N121-Y135 HydrophobicContact CB-CD1 3.78Å; N121-Y135 HydrophobicContact CB-CE1 3.89Å; N121-Y135 HydrophobicContact CB-CG 4.11Å; N121-Y135 VanDerWaalsContact CG-CB 3.46Å; N121-Y135 VanDerWaalsContact ND2-CB 3.32Å; N121-Y135 WeakPolarHBondContact ND2-CB 3.4Å; N121-Y135 WeakPolarHBondContact ND2-CD2 3.43Å; N121-Y135 WeakPolarHBondContact OD1-CB 3.49Å; N121-Y135 WeakPolarHBondContact OD1-CD1 3.49Å |
| 122 | E | 94.9 | Very high | 93.2 | Very high | 143 Ų | 143 | 83.7 Ų | 83.7 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 173.5 | -177.3 | 174.8 | -168 | 0 | 0 | 111.6 | A118 T119 R124 F125 R126 | A118-E122 PolarHBondContact O-N 3.46Å; T119-E122 PolarHBondContact O-N 2.85Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 3.01Å; E122-F125 PolarHBondContact O-N 3.48Å; E122-R126 PolarHBondContact O-N 3.22Å |
| 123 | V | 97.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 84.2 Ų | 84.2 | 32% | 0.321 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 177 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | T119 Y120 R126 I127 | T119-V123 WeakPolarHBondContact O-CG2 3.4Å; T119-V123 PolarHBondContact O-N 3.34Å; Y120-V123 PolarHBondContact O-N 3.01Å; V123-R126 WeakPolarHBondContact O-CB 3.11Å; V123-R126 PolarHBondContact O-N 3.06Å; V123-I127 HydrophobicContact CG1-CD1 3.67Å; V123-I127 HydrophobicContact CG1-CG1 4.38Å; V123-I127 WeakPolarHBondContact O-CG1 3.37Å; V123-I127 PolarHBondContact O-N 3.4Å |
| 124 | R | 96.3 | Very high | 93.3 | Very high | 73 Ų | 73 | 86 Ų | 86 | 28% | 0.275 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.3 | -168 | -179.5 | 178.9 | 104.7 | -0.8 | 111.4 | Y120 N121 E122 R126 I127 F128 S130 | Y120-R124 VanDerWaalsContact O-CB 3.32Å; Y120-R124 WeakPolarHBondContact O-CB 3.34Å; Y120-R124 PolarHBondContact O-N 3.41Å; Y120-R124 PolarHBondContact OH-NH1 3.07Å; N121-R124 PolarHBondContact O-N 3.3Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 3.01Å; R124-R126 VanDerWaalsContact C-N 3.29Å; R124-R126 PolarHBondContact O-N 3.23Å; R124-I127 PolarHBondContact O-N 3.27Å; R124-F128 HydrophobicContact CG-CD2 3.81Å; R124-F128 WeakPolarHBondContact O-CB 3.21Å; R124-F128 PolarHBondContact O-N 3.45Å; R124-S130 CarbonylContact C-O 3.51Å |
| 125 | F | 96.2 | Very high | 93.3 | Very high | 122 Ų | 122 | 85.7 Ų | 85.7 | 54% | 0.535 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 173.7 | -177.8 | -98.7 | 0 | 0 | 0 | 111.6 | N121 E122 I127 G129 S130 | N121-F125 WeakPolarHBondContact O-CB 3.48Å; N121-F125 PolarHBondContact O-N 2.87Å; E122-F125 PolarHBondContact O-N 3.48Å; F125-I127 PolarHBondContact O-N 3.04Å; F125-G129 WeakPolarHBondContact CE2-O 3.37Å; F125-G129 WeakPolarHBondContact O-CA 3.42Å; F125-G129 PolarHBondContact O-N 2.88Å; F125-S130 PolarHBondContact N-O 3.17Å |
| 126 | R | 97 | Very high | 93 | Very high | 199 Ų | 199 | 85.2 Ų | 85.2 | 75% | 0.751 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.4 | -35.3 | 177.8 | -171 | 173.4 | 66.7 | -172.9 | 1 | 113.5 | E122 V123 R124 | E122-R126 PolarHBondContact O-N 3.22Å; V123-R126 WeakPolarHBondContact O-CB 3.11Å; V123-R126 PolarHBondContact O-N 3.06Å; R124-R126 VanDerWaalsContact C-N 3.29Å; R124-R126 PolarHBondContact O-N 3.23Å |
| 127 | I | 96.7 | Very high | 92.8 | Very high | 111 Ų | 111 | 82.4 Ų | 82.4 | 57% | 0.569 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -85 | -42.8 | -177.1 | -65.2 | 172.1 | 0 | 0 | 0 | 111.6 | V123 R124 F125 | V123-I127 HydrophobicContact CG1-CD1 3.67Å; V123-I127 HydrophobicContact CG1-CG1 4.38Å; V123-I127 WeakPolarHBondContact O-CG1 3.37Å; V123-I127 PolarHBondContact O-N 3.4Å; R124-I127 PolarHBondContact O-N 3.27Å; F125-I127 PolarHBondContact O-N 3.04Å |
| 128 | F | 96.5 | Very high | 92.5 | Very high | 143 Ų | 143 | 83.1 Ų | 83.1 | 63% | 0.627 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -112.3 | -2.9 | -170 | -62.4 | -74.5 | 0 | 0 | 0 | 114 | R124 S130 | R124-F128 HydrophobicContact CG-CD2 3.81Å; R124-F128 WeakPolarHBondContact O-CB 3.21Å; R124-F128 PolarHBondContact O-N 3.45Å; F128-S130 PolarHBondContact O-N 2.87Å |
| 129 | G | 96 | Very high | 92 | Very high | 55 Ų | 55 | 85.4 Ų | 85.4 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 72.2 | 3.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F125 | F125-G129 WeakPolarHBondContact CE2-O 3.37Å; F125-G129 WeakPolarHBondContact O-CA 3.42Å; F125-G129 PolarHBondContact O-N 2.88Å |
| 130 | S | 91.2 | Very high | 91.5 | Very high | 62 Ų | 62 | 90.2 Ų | 90.2 | 43% | 0.434 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -144.3 | 143.5 | 177.5 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | R124 F125 F128 | R124-S130 CarbonylContact C-O 3.51Å; F125-S130 PolarHBondContact N-O 3.17Å; F128-S130 PolarHBondContact O-N 2.87Å |
| 131 | P | 91.8 | Very high | 90.9 | Very high | 31 Ų | 31 | 89.2 Ų | 89.2 | 20% | 0.201 | 47% | 0.47 | C | S | . | . | trans | -72.9 | 174.7 | 171.9 | 34 | -34 | 0 | 0 | 0 | 110.1 | Y135 L136 | P131-Y135 HydrophobicContact CB-CD1 4.49Å; P131-L136 HydrophobicContact CB-CG 4.49Å; P131-L136 HydrophobicContact CG-CD1 3.7Å; P131-L136 HydrophobicContact CG-CD2 3.71Å; P131-L136 HydrophobicContact CG-CG 3.67Å | ||
| 132 | D | 90.7 | Very high | 89.9 | Confident | 34 Ų | 34 | 96.6 Ų | 96.6 | 18% | 0.182 | 51% | 0.506 | C | S | . | . | trans | -66 | 128 | 176.8 | -165.9 | 14.2 | 0 | 0 | 0 | 110 | N121 E134 Y135 L136 | N121-D132 WeakPolarHBondContact OD1-CB 3.32Å; N121-D132 PolarHBondContact OD1-N 3.38Å; D132-E134 PolarHBondContact O-N 2.82Å; D132-Y135 WeakPolarHBondContact O-CB 3.35Å; D132-Y135 PolarHBondContact O-N 3.48Å; D132-L136 PolarHBondContact O-N 2.98Å; D132-L136 VanDerWaalsContact O-N 3.17Å | ||
| 133 | P | 88.6 | Confident | 88.1 | Confident | 83 Ų | 83 | 100.8 Ų | 100.8 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.3 | -33.5 | 178.5 | 20.2 | -35 | 0 | 0 | 0 | 113.2 | L136 S137 | P133-L136 PolarHBondContact O-N 3.36Å; P133-S137 PolarHBondContact O-N 3.49Å; P133-S137 PolarHBondContact O-OG 3Å |
| 134 | E | 87.9 | Confident | 87.6 | Confident | 148 Ų | 148 | 103.2 Ų | 103.2 | 69% | 0.692 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.4 | -36.8 | 176.5 | -64.3 | -172.9 | -178.6 | 0 | 0 | 112 | D132 S137 S138 | D132-E134 PolarHBondContact O-N 2.82Å; E134-S137 PolarHBondContact O-N 3.39Å; E134-S138 WeakPolarHBondContact O-CB 3.18Å; E134-S138 PolarHBondContact O-N 3.22Å |
| 135 | Y | 87.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 104.8 Ų | 104.8 | 24% | 0.235 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.2 | 178.9 | -109 | 0 | 0 | 0 | 112 | V117 N121 P131 D132 S137 S138 L139 | V117-Y135 HydrophobicContact CG1-CD2 3.52Å; V117-Y135 HydrophobicContact CG1-CE2 3.77Å; N121-Y135 HydrophobicContact CB-CD1 3.78Å; N121-Y135 HydrophobicContact CB-CE1 3.89Å; N121-Y135 HydrophobicContact CB-CG 4.11Å; N121-Y135 VanDerWaalsContact CG-CB 3.46Å; N121-Y135 VanDerWaalsContact ND2-CB 3.32Å; N121-Y135 WeakPolarHBondContact ND2-CB 3.4Å; N121-Y135 WeakPolarHBondContact ND2-CD2 3.43Å; N121-Y135 WeakPolarHBondContact OD1-CB 3.49Å; N121-Y135 WeakPolarHBondContact OD1-CD1 3.49Å; P131-Y135 HydrophobicContact CB-CD1 4.49Å; D132-Y135 WeakPolarHBondContact O-CB 3.35Å; D132-Y135 PolarHBondContact O-N 3.48Å; Y135-S137 VanDerWaalsContact C-N 3.32Å; Y135-S137 PolarHBondContact O-N 3.19Å; Y135-S138 PolarHBondContact O-N 2.81Å; Y135-L139 HydrophobicContact CD1-CD1 4.05Å; Y135-L139 HydrophobicContact CE1-CD1 3.53Å; Y135-L139 HydrophobicContact CE1-CG 4.31Å; Y135-L139 PolarHBondContact O-N 3.49Å |
| 136 | L | 85.7 | Confident | 86.7 | Confident | 80 Ų | 80 | 103.8 Ų | 103.8 | 42% | 0.419 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.9 | -42.5 | 174.4 | -69.3 | -178.8 | 0 | 0 | 0 | 111.8 | P131 D132 P133 S138 L139 Q140 | P131-L136 HydrophobicContact CB-CG 4.49Å; P131-L136 HydrophobicContact CG-CD1 3.7Å; P131-L136 HydrophobicContact CG-CD2 3.71Å; P131-L136 HydrophobicContact CG-CG 3.67Å; D132-L136 PolarHBondContact O-N 2.98Å; D132-L136 VanDerWaalsContact O-N 3.17Å; P133-L136 PolarHBondContact O-N 3.36Å; L136-S138 VanDerWaalsContact C-N 3.3Å; L136-S138 PolarHBondContact O-N 3.07Å; L136-L139 PolarHBondContact O-N 3.33Å; L136-Q140 WeakPolarHBondContact O-CG 3.47Å; L136-Q140 PolarHBondContact O-N 3.26Å |
| 137 | S | 87.7 | Confident | 86.1 | Confident | 70 Ų | 70 | 98.2 Ų | 98.2 | 49% | 0.49 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 176.7 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | P133 E134 Y135 Q140 S141 | P133-S137 PolarHBondContact O-N 3.49Å; P133-S137 PolarHBondContact O-OG 3Å; E134-S137 PolarHBondContact O-N 3.39Å; Y135-S137 VanDerWaalsContact C-N 3.32Å; Y135-S137 PolarHBondContact O-N 3.19Å; S137-Q140 PolarHBondContact O-N 3.48Å; S137-S141 PolarHBondContact O-N 3.26Å |
| 138 | S | 85.4 | Confident | 85.4 | Confident | 74 Ų | 74 | 97.4 Ų | 97.4 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | 176 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | E134 Y135 L136 M142 | E134-S138 WeakPolarHBondContact O-CB 3.18Å; E134-S138 PolarHBondContact O-N 3.22Å; Y135-S138 PolarHBondContact O-N 2.81Å; L136-S138 VanDerWaalsContact C-N 3.3Å; L136-S138 PolarHBondContact O-N 3.07Å; S138-M142 WeakPolarHBondContact O-CG 3.12Å |
| 139 | L | 81.4 | Confident | 84.6 | Confident | 88 Ų | 88 | 94.4 Ų | 94.4 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 176 | -73.3 | 175.9 | 0 | 0 | 0 | 112 | Y135 L136 S141 M142 | Y135-L139 HydrophobicContact CD1-CD1 4.05Å; Y135-L139 HydrophobicContact CE1-CD1 3.53Å; Y135-L139 HydrophobicContact CE1-CG 4.31Å; Y135-L139 PolarHBondContact O-N 3.49Å; L136-L139 PolarHBondContact O-N 3.33Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-M142 PolarHBondContact O-N 2.84Å |
| 140 | Q | 82.9 | Confident | 83.8 | Confident | 137 Ų | 137 | 97.2 Ų | 97.2 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -35.4 | 176.1 | -73.4 | 177.4 | -20.3 | 0 | 0 | 112.3 | L136 S137 M142 Q143 | L136-Q140 WeakPolarHBondContact O-CG 3.47Å; L136-Q140 PolarHBondContact O-N 3.26Å; S137-Q140 PolarHBondContact O-N 3.48Å; Q140-M142 PolarHBondContact O-N 3.02Å; Q140-Q143 PolarHBondContact O-N 3.21Å |
| 141 | S | 82.5 | Confident | 83.3 | Confident | 101 Ų | 101 | 99.9 Ų | 99.9 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -13.2 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 114 | S137 L139 | S137-S141 PolarHBondContact O-N 3.26Å; L139-S141 VanDerWaalsContact C-N 3.33Å |
| 142 | M | 72.9 | Confident | 82.6 | Confident | 162 Ų | 162 | 105.7 Ų | 105.7 | 80% | 0.798 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -3.7 | 179.4 | -68.9 | -71.6 | -64.2 | 0 | 0 | 113.1 | S138 L139 Q140 | S138-M142 WeakPolarHBondContact O-CG 3.12Å; L139-M142 PolarHBondContact O-N 2.84Å; Q140-M142 PolarHBondContact O-N 3.02Å |
| 143 | Q | 57.5 | Low | 81.8 | Confident | 231 Ų | 231 | 112.2 Ų | 112.2 | 100% | 1.079 | 60% | 0.598 | S | S | * | * | trans | -95.6 | 0 | 172.1 | -94.4 | -176 | -29.7 | 0 | 0 | 111.2 | Q140 | Q140-Q143 PolarHBondContact O-N 3.21Š|
Retrieved 143 of 143 residues in 48.6 ms
(Link to these results)