| 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 | Very low | 51.9 | Low | 234 Ų | 234 | 133.5 Ų | 133.5 | 100% | 1.153 | 83% | 0.827 | S | S | * | * | 0 | 85 | 0 | -63.6 | -61.5 | 162.8 | 0 | 0 | 107.2 | |||||
| 2 | C | 43.3 | Very low | 52.8 | Low | 129 Ų | 129 | 135.8 Ų | 135.8 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | -113.4 | 105.4 | 178.6 | -70.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | E | 50.2 | Low | 53.8 | Low | 196 Ų | 196 | 132.2 Ų | 132.2 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -132.9 | 102 | 178.2 | -72.3 | -89.6 | 157.2 | 0 | 0 | 106.6 | ||||
| 4 | G | 53.5 | Low | 54.9 | Low | 59 Ų | 59 | 127.4 Ų | 127.4 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | trans | -142 | 129.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | S6 | G4-S6 PolarHBondContact O-N 3.5Š| ||
| 5 | P | 50.5 | Low | 55.8 | Low | 131 Ų | 131 | 124.7 Ų | 124.7 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 128.7 | -171 | 27.5 | -32.1 | 0 | 0 | 0 | 110.9 | T7 | P5-T7 PolarHBondContact O-N 2.72Š| ||
| 6 | S | 48.1 | Very low | 56.4 | Low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -78.3 | 114.8 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 110 | G4 I8 | G4-S6 PolarHBondContact O-N 3.5Å; S6-I8 VanDerWaalsContact C-N 3.33Å; S6-I8 PolarHBondContact O-N 3.11Å; S6-I8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | T | 53.7 | Low | 57.2 | Low | 143 Ų | 143 | 119.6 Ų | 119.6 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 70.5 | 175.5 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | P5 | P5-T7 PolarHBondContact O-N 2.72Š|
| 8 | I | 54.9 | Low | 57.7 | Low | 163 Ų | 163 | 120.4 Ų | 120.4 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | -4.5 | 173.3 | -97.9 | 170.9 | 0 | 0 | 0 | 114.7 | S6 G10 | S6-I8 VanDerWaalsContact C-N 3.33Å; S6-I8 PolarHBondContact O-N 3.11Å; S6-I8 VanDerWaalsContact O-N 3.09Å; I8-G10 PolarHBondContact O-N 3Å |
| 9 | S | 46.2 | Very low | 57.9 | Low | 120 Ų | 120 | 118.1 Ų | 118.1 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -92.5 | 99.9 | 178.7 | -162 | 0 | 0 | 0 | 0 | 112 | ||||
| 10 | G | 64.1 | Low | 58.2 | Low | 50 Ų | 50 | 116.2 Ų | 116.2 | 52% | 0.515 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -73.4 | 167.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 111 | I8 | I8-G10 PolarHBondContact O-N 3Š|
| 11 | P | 68.3 | Low | 58.5 | Low | 128 Ų | 128 | 117.3 Ų | 117.3 | 83% | 0.831 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.1 | 176.3 | 25.6 | -32.7 | 0 | 0 | 0 | 110.9 | ||
| 12 | I | 63.1 | Low | 59.8 | Low | 161 Ų | 161 | 115.2 Ų | 115.2 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.5 | 175.6 | -61.2 | 170.4 | 0 | 0 | 0 | 107.7 | ||
| 13 | P | 65.3 | Low | 60.8 | Low | 89 Ų | 89 | 114.2 Ų | 114.2 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 144.7 | -178.1 | 31.2 | -36.7 | 0 | 0 | 0 | 109.9 | Y23 | P13-Y23 WeakPolarHBondContact CB-OH 3.43Š|
| 14 | P | 70 | Confident | 61.4 | Low | 65 Ų | 65 | 111.2 Ų | 111.2 | 42% | 0.422 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 151 | -171.7 | 26.7 | -34.8 | 0 | 0 | 0 | 111.8 | L19 Y23 | P14-L19 HydrophobicContact CB-CD1 4.05Å; P14-L19 HydrophobicContact CG-CD1 4.04Å; P14-Y23 VanDerWaalsContact O-CE2 3.31Å; P14-Y23 WeakPolarHBondContact O-CE2 3.31Å; P14-Y23 PolarHBondContact O-OH 2.77Å |
| 15 | D | 68.4 | Low | 61.7 | Low | 88 Ų | 88 | 118 Ų | 118 | 47% | 0.471 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 125.1 | -178.3 | -169.1 | -34.8 | 0 | 0 | 0 | 111 | S17 L18 L19 | D15-S17 PolarHBondContact O-N 3.23Å; D15-S17 VanDerWaalsContact O-N 3.11Å; D15-S17 WeakPolarHBondContact OD1-CB 3.45Å; D15-S17 PolarHBondContact OD1-N 3.06Å; D15-S17 PolarHBondContact OD1-OG 3.45Å; D15-S17 PolarHBondContact OD2-OG 3.18Å; D15-L18 HydrophobicContact CB-CD1 4.14Å; D15-L18 HydrophobicContact CB-CG 4.23Å; D15-L18 PolarHBondContact O-N 3.43Å; D15-L19 PolarHBondContact O-N 3.03Å |
| 16 | P | 64.9 | Low | 62.1 | Low | 81 Ų | 81 | 115.8 Ų | 115.8 | 53% | 0.526 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -16.4 | -177.3 | 26.3 | -36.3 | 0 | 0 | 0 | 113.9 | Y23 | P16-Y23 HydrophobicContact CB-CD2 3.94Å; P16-Y23 HydrophobicContact CB-CE2 4.01Å |
| 17 | S | 70.1 | Confident | 62.4 | Low | 82 Ų | 82 | 114.7 Ų | 114.7 | 57% | 0.573 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -26.7 | 173.9 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | D15 | D15-S17 PolarHBondContact O-N 3.23Å; D15-S17 VanDerWaalsContact O-N 3.11Å; D15-S17 WeakPolarHBondContact OD1-CB 3.45Å; D15-S17 PolarHBondContact OD1-N 3.06Å; D15-S17 PolarHBondContact OD1-OG 3.45Å; D15-S17 PolarHBondContact OD2-OG 3.18Å |
| 18 | L | 66.2 | Low | 62.7 | Low | 133 Ų | 133 | 113.3 Ų | 113.3 | 70% | 0.696 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -27.3 | -174.6 | -61.5 | 178.9 | 0 | 0 | 0 | 112.9 | D15 | D15-L18 HydrophobicContact CB-CD1 4.14Å; D15-L18 HydrophobicContact CB-CG 4.23Å; D15-L18 PolarHBondContact O-N 3.43Å |
| 19 | L | 61.2 | Low | 62.6 | Low | 77 Ų | 77 | 108.3 Ų | 108.3 | 40% | 0.403 | 62% | 0.617 | S | S | . | * | trans | -133.7 | 72.4 | 178.8 | -67.8 | 173.5 | 0 | 0 | 0 | 112 | P14 D15 E21 Y22 | P14-L19 HydrophobicContact CB-CD1 4.05Å; P14-L19 HydrophobicContact CG-CD1 4.04Å; D15-L19 PolarHBondContact O-N 3.03Å; L19-E21 PolarHBondContact O-N 2.67Å; L19-E21 VanDerWaalsContact O-N 3.1Å; L19-Y22 HydrophobicContact CB-CD2 4.24Å; L19-Y22 HydrophobicContact CD1-CD2 4.24Å; L19-Y22 PolarHBondContact O-N 2.89Å | ||
| 20 | P | 64.2 | Low | 62.9 | Low | 79 Ų | 79 | 111 Ų | 111 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -26.8 | -177.1 | -21 | 31.7 | 0 | 0 | 0 | 113.1 | Y23 K24 | P20-Y23 PolarHBondContact O-N 3.47Å; P20-K24 PolarHBondContact O-N 3.1Å |
| 21 | E | 64.6 | Low | 62.4 | Low | 140 Ų | 140 | 111.8 Ų | 111.8 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -30.5 | -175.3 | -55 | -143.2 | 124.9 | 0 | 0 | 113.7 | L19 Y23 K24 | L19-E21 PolarHBondContact O-N 2.67Å; L19-E21 VanDerWaalsContact O-N 3.1Å; E21-Y23 PolarHBondContact O-N 2.85Å; E21-K24 PolarHBondContact O-N 3.46Å; E21-K24 IonicContact OE1-NZ 3.13Å; E21-K24 PolarHBondContact OE1-NZ 3.29Å |
| 22 | Y | 64.4 | Low | 61.8 | Low | 190 Ų | 190 | 117.3 Ų | 117.3 | 75% | 0.745 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -23.8 | 177.5 | -93.1 | -91.4 | 0 | 0 | 0 | 112.6 | L19 | L19-Y22 HydrophobicContact CB-CD2 4.24Å; L19-Y22 HydrophobicContact CD1-CD2 4.24Å; L19-Y22 PolarHBondContact O-N 2.89Å |
| 23 | Y | 65.5 | Low | 61 | Low | 109 Ų | 109 | 117.8 Ų | 117.8 | 43% | 0.427 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104 | 5.7 | 177.9 | -61.9 | -80.7 | 0 | 0 | 0 | 113.2 | P13 P14 P16 P20 E21 R25 | P13-Y23 WeakPolarHBondContact CB-OH 3.43Å; P14-Y23 VanDerWaalsContact O-CE2 3.31Å; P14-Y23 WeakPolarHBondContact O-CE2 3.31Å; P14-Y23 PolarHBondContact O-OH 2.77Å; P16-Y23 HydrophobicContact CB-CD2 3.94Å; P16-Y23 HydrophobicContact CB-CE2 4.01Å; P20-Y23 PolarHBondContact O-N 3.47Å; E21-Y23 PolarHBondContact O-N 2.85Å; Y23-R25 PolarHBondContact O-N 3.04Å |
| 24 | K | 62.5 | Low | 60.3 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 58% | 0.578 | 63% | 0.626 | S | S | * | * | trans | -64.7 | 110.5 | 174 | -84.6 | 177.5 | -174.1 | 171.2 | 0 | 109.4 | P20 E21 | P20-K24 PolarHBondContact O-N 3.1Å; E21-K24 PolarHBondContact O-N 3.46Å; E21-K24 IonicContact OE1-NZ 3.13Å; E21-K24 PolarHBondContact OE1-NZ 3.29Å | ||
| 25 | R | 60.4 | Low | 59 | Low | 201 Ų | 201 | 120.2 Ų | 120.2 | 76% | 0.758 | 64% | 0.641 | S | S | * | * | trans | -61.5 | 123.8 | 174.6 | -175.3 | 176.4 | -68.9 | 171.5 | 0 | 109.4 | Y23 A29 | Y23-R25 PolarHBondContact O-N 3.04Å; R25-A29 HydrophobicContact CG-CB 3.92Å | ||
| 26 | P | 57.8 | Low | 57.7 | Low | 84 Ų | 84 | 124.4 Ų | 124.4 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | trans | -61.5 | 141.8 | 180 | 21.4 | -30.4 | 0 | 0 | 0 | 111 | S28 A29 | P26-S28 PolarHBondContact O-N 2.65Å; P26-A29 PolarHBondContact O-N 3.49Å | ||
| 27 | A | 54.6 | Low | 56.8 | Low | 93 Ų | 93 | 129.3 Ų | 129.3 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -57.8 | -19.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A29 R30 | A27-A29 VanDerWaalsContact C-N 3.28Å; A27-A29 PolarHBondContact O-N 3.13Å; A27-R30 PolarHBondContact O-N 3.26Å |
| 28 | S | 60.7 | Low | 55.5 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -69 | -20.8 | 174.2 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | P26 | P26-S28 PolarHBondContact O-N 2.65Š|
| 29 | A | 51.2 | Low | 54.3 | Low | 58 Ų | 58 | 131.9 Ų | 131.9 | 48% | 0.479 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -93.1 | 5.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | R25 P26 A27 G31 | R25-A29 HydrophobicContact CG-CB 3.92Å; P26-A29 PolarHBondContact O-N 3.49Å; A27-A29 VanDerWaalsContact C-N 3.28Å; A27-A29 PolarHBondContact O-N 3.13Å; A29-G31 PolarHBondContact O-N 3.44Å |
| 30 | R | 54.3 | Low | 53.5 | Low | 177 Ų | 177 | 133.4 Ų | 133.4 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | -87.1 | 26.7 | 179.2 | -145.5 | -179.3 | -174.4 | 168.3 | 4.4 | 113 | A27 R32 E34 | A27-R30 PolarHBondContact O-N 3.26Å; R30-R32 PolarHBondContact O-N 2.98Å; R30-E34 IonicContact CZ-OE2 3.38Å; R30-E34 IonicContact NE-OE2 2.9Å; R30-E34 PolarHBondContact NE-OE2 3.29Å; R30-E34 IonicContact NH2-OE2 3.4Å; R30-E34 PolarHBondContact NH2-OE2 3.31Å | ||
| 31 | G | 53.6 | Low | 52.5 | Low | 66 Ų | 66 | 136.2 Ų | 136.2 | 68% | 0.68 | 72% | 0.717 | S | S | * | * | trans | -99.6 | 81.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A29 | A29-G31 PolarHBondContact O-N 3.44Š| ||
| 32 | R | 54.1 | Low | 51.7 | Low | 244 Ų | 244 | 134.3 Ų | 134.3 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 178.8 | -14.3 | 140.3 | -111.1 | -176.3 | 170.5 | -172 | -3.2 | 117.1 | R30 | R30-R32 PolarHBondContact O-N 2.98Š|
| 33 | L | 46 | Very low | 51 | Low | 170 Ų | 170 | 130.7 Ų | 130.7 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -131.6 | 3.8 | -167.9 | -77.7 | 171 | 0 | 0 | 0 | 117.6 | ||
| 34 | E | 50.5 | Low | 50.4 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 62% | 0.621 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -121.8 | 109.1 | 171.5 | -71.4 | 180 | 169.2 | 0 | 0 | 109.9 | R30 H36 | R30-E34 IonicContact CZ-OE2 3.38Å; R30-E34 IonicContact NE-OE2 2.9Å; R30-E34 PolarHBondContact NE-OE2 3.29Å; R30-E34 IonicContact NH2-OE2 3.4Å; R30-E34 PolarHBondContact NH2-OE2 3.31Å; E34-H36 PolarHBondContact O-N 3.36Å |
| 35 | G | 44.3 | Very low | 50.1 | Low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -57.7 | 132.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q37 | G35-Q37 VanDerWaalsContact C-N 3.34Å; G35-Q37 PolarHBondContact O-N 3.26Å | ||
| 36 | H | 39.7 | Very low | 50.1 | Low | 176 Ų | 176 | 126.1 Ų | 126.1 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | trans | -68.8 | 89.4 | 176.2 | -167.8 | -25.3 | 0 | 0 | 0 | 109.4 | E34 K38 | E34-H36 PolarHBondContact O-N 3.36Å; H36-K38 PolarHBondContact O-N 2.96Å | ||
| 37 | Q | 46.4 | Very low | 50.3 | Low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -77.4 | 98 | 163.9 | -65.8 | -159.3 | 13.3 | 0 | 0 | 108.3 | G35 | G35-Q37 VanDerWaalsContact C-N 3.34Å; G35-Q37 PolarHBondContact O-N 3.26Å | ||
| 38 | K | 43.3 | Very low | 50.4 | Low | 194 Ų | 194 | 131.8 Ų | 131.8 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | 165.4 | 107.6 | 145.7 | -91.2 | 165.5 | -173.1 | -171.6 | 0 | 109.8 | H36 | H36-K38 PolarHBondContact O-N 2.96Š| ||
| 39 | G | 40.8 | Very low | 50.3 | Low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 144.7 | 87.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L41 | G39-L41 PolarHBondContact O-N 3.22Š|
| 40 | S | 45 | Very low | 51 | Low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -8.7 | 117.2 | 164.1 | -160 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 41 | L | 42.6 | Very low | 51.6 | Low | 138 Ų | 138 | 124.6 Ų | 124.6 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | -151 | 113.5 | 80.6 | -78 | 162.6 | 0 | 0 | 0 | 110.8 | G39 L43 | G39-L41 PolarHBondContact O-N 3.22Å; L41-L43 PolarHBondContact O-N 3.15Å | |||
| 42 | A | 47.5 | Very low | 52.3 | Low | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -77.2 | 69.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 43 | L | 50.8 | Low | 53 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 60% | 0.597 | 70% | 0.703 | S | S | * | * | trans | -157.5 | 112.7 | 164.5 | -63.4 | 176.9 | 0 | 0 | 0 | 104.4 | L41 | L41-L43 PolarHBondContact O-N 3.15Š| ||
| 44 | H | 52.7 | Low | 53.7 | Low | 107 Ų | 107 | 117.3 Ų | 117.3 | 50% | 0.495 | 69% | 0.692 | S | S | . | * | -164.6 | 105.1 | 56.5 | -65.1 | 87.6 | 0 | 0 | 0 | 108.8 | G46 | H44-G46 VanDerWaalsContact C-N 3.28Å; H44-G46 PolarHBondContact O-N 2.74Å | |||
| 45 | L | 55.2 | Low | 54.1 | Low | 197 Ų | 197 | 116.3 Ų | 116.3 | 100% | 1.031 | 68% | 0.683 | S | S | * | * | trans | -85.8 | 69.5 | 166.3 | -92.1 | 98.5 | 0 | 0 | 0 | 109.4 | ||||
| 46 | G | 60.5 | Low | 55 | Low | 44 Ų | 44 | 116.8 Ų | 116.8 | 45% | 0.454 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -130.7 | 152.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | H44 L48 | H44-G46 VanDerWaalsContact C-N 3.28Å; H44-G46 PolarHBondContact O-N 2.74Å; G46-L48 PolarHBondContact O-N 3.24Å; G46-L48 VanDerWaalsContact O-N 3.13Å |
| 47 | P | 63.3 | Low | 55.7 | Low | 144 Ų | 144 | 115.5 Ų | 115.5 | 94% | 0.935 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -70 | -3.1 | 179 | 29.1 | -34.7 | 0 | 0 | 0 | 113.9 | ||
| 48 | L | 56.7 | Low | 56.3 | Low | 151 Ų | 151 | 110.1 Ų | 110.1 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -108.9 | 132.4 | -178.9 | -70.5 | 168 | 0 | 0 | 0 | 110.6 | G46 | G46-L48 PolarHBondContact O-N 3.24Å; G46-L48 VanDerWaalsContact O-N 3.13Å |
| 49 | A | 57.6 | Low | 57 | Low | 82 Ų | 82 | 106.2 Ų | 106.2 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 135.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y59 | A49-Y59 VanDerWaalsContact CB-OH 3.32Å; A49-Y59 WeakPolarHBondContact CB-OH 3.47Å |
| 50 | P | 66.5 | Low | 57.7 | Low | 37 Ų | 37 | 105.7 Ų | 105.7 | 24% | 0.24 | 62% | 0.62 | C | S | . | * | P | Polyproline II helix | trans | -61.1 | 150.6 | -179.7 | 19.8 | -29.4 | 0 | 0 | 0 | 113.4 | Y59 | P50-Y59 WeakPolarHBondContact CD-OH 3.48Å; P50-Y59 HydrophobicContact CG-CE2 4.04Å; P50-Y59 WeakPolarHBondContact CG-OH 3.4Å; P50-Y59 VanDerWaalsContact N-OH 3.15Å; P50-Y59 WeakPolarHBondContact O-CE2 3.16Å; P50-Y59 VanDerWaalsContact O-CZ 3.22Å; P50-Y59 PolarHBondContact O-OH 3.14Å |
| 51 | D | 67.3 | Low | 58 | Low | 80 Ų | 80 | 105.7 Ų | 105.7 | 43% | 0.428 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 124 | -177 | -175.1 | -14 | 0 | 0 | 0 | 111.5 | V53 L54 Y55 | D51-V53 PolarHBondContact O-N 3.18Å; D51-V53 PolarHBondContact OD1-N 3.34Å; D51-L54 HydrophobicContact CB-CD1 4.39Å; D51-L54 PolarHBondContact O-N 3.44Å; D51-Y55 PolarHBondContact O-N 3.46Å; D51-Y55 VanDerWaalsContact O-N 3.15Å |
| 52 | P | 67.4 | Low | 58.3 | Low | 84 Ų | 84 | 109.3 Ų | 109.3 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.7 | -19.7 | -179.6 | 25.1 | -35.1 | 0 | 0 | 0 | 114.4 | Y59 | P52-Y59 HydrophobicContact CB-CD2 4.21Š|
| 53 | V | 68.8 | Low | 58.5 | Low | 118 Ų | 118 | 109 Ų | 109 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -35 | 178.4 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | D51 | D51-V53 PolarHBondContact O-N 3.18Å; D51-V53 PolarHBondContact OD1-N 3.34Å |
| 54 | L | 61.6 | Low | 58.6 | Low | 125 Ų | 125 | 109.1 Ų | 109.1 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -23.6 | -177 | -65.2 | 174.9 | 0 | 0 | 0 | 112.8 | D51 | D51-L54 HydrophobicContact CB-CD1 4.39Å; D51-L54 PolarHBondContact O-N 3.44Å |
| 55 | Y | 58.9 | Low | 58.8 | Low | 112 Ų | 112 | 109.8 Ų | 109.8 | 44% | 0.439 | 65% | 0.647 | S | S | . | * | trans | -134 | 70.5 | -178.6 | -66.9 | -84.9 | 0 | 0 | 0 | 113.5 | D51 D57 S58 | D51-Y55 PolarHBondContact O-N 3.46Å; D51-Y55 VanDerWaalsContact O-N 3.15Å; Y55-D57 VanDerWaalsContact C-N 3.27Å; Y55-D57 PolarHBondContact O-N 2.92Å; Y55-S58 WeakPolarHBondContact CB-OG 3.32Å; Y55-S58 WeakPolarHBondContact O-CB 3.12Å; Y55-S58 PolarHBondContact O-N 3.36Å; Y55-S58 PolarHBondContact O-OG 3.09Å | ||
| 56 | P | 62.8 | Low | 58.9 | Low | 82 Ų | 82 | 109.7 Ų | 109.7 | 53% | 0.532 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.3 | -33.7 | -177.1 | -22 | 33.2 | 0 | 0 | 0 | 113.9 | S58 Y59 S60 | P56-S58 VanDerWaalsContact C-N 3.25Å; P56-S58 PolarHBondContact O-N 3.41Å; P56-Y59 PolarHBondContact O-N 3.13Å; P56-S60 PolarHBondContact O-N 3.38Å |
| 57 | D | 54.8 | Low | 58.8 | Low | 149 Ų | 149 | 118.6 Ų | 118.6 | 80% | 0.797 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.6 | -19.9 | -177.2 | -66 | -28 | 0 | 0 | 0 | 113.3 | Y55 Y59 | Y55-D57 VanDerWaalsContact C-N 3.27Å; Y55-D57 PolarHBondContact O-N 2.92Å; D57-Y59 VanDerWaalsContact C-N 3.31Å |
| 58 | S | 57.9 | Low | 58.8 | Low | 71 Ų | 71 | 115.5 Ų | 115.5 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -76 | -22.8 | -179.9 | -49.1 | 0 | 0 | 0 | 0 | 112.7 | Y55 P56 | Y55-S58 WeakPolarHBondContact CB-OG 3.32Å; Y55-S58 WeakPolarHBondContact O-CB 3.12Å; Y55-S58 PolarHBondContact O-N 3.36Å; Y55-S58 PolarHBondContact O-OG 3.09Å; P56-S58 VanDerWaalsContact C-N 3.25Å; P56-S58 PolarHBondContact O-N 3.41Å |
| 59 | Y | 57.7 | Low | 59.4 | Low | 111 Ų | 111 | 119 Ų | 119 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -110.9 | -5 | -176.4 | -69.8 | -82.3 | 0 | 0 | 0 | 113.1 | A49 P50 P52 P56 D57 A61 | A49-Y59 VanDerWaalsContact CB-OH 3.32Å; A49-Y59 WeakPolarHBondContact CB-OH 3.47Å; P50-Y59 WeakPolarHBondContact CD-OH 3.48Å; P50-Y59 HydrophobicContact CG-CE2 4.04Å; P50-Y59 WeakPolarHBondContact CG-OH 3.4Å; P50-Y59 VanDerWaalsContact N-OH 3.15Å; P50-Y59 WeakPolarHBondContact O-CE2 3.16Å; P50-Y59 VanDerWaalsContact O-CZ 3.22Å; P50-Y59 PolarHBondContact O-OH 3.14Å; P52-Y59 HydrophobicContact CB-CD2 4.21Å; P56-Y59 PolarHBondContact O-N 3.13Å; D57-Y59 VanDerWaalsContact C-N 3.31Å; Y59-A61 PolarHBondContact O-N 3.39Å; Y59-A61 VanDerWaalsContact O-N 3.13Å |
| 60 | S | 57 | Low | 60.4 | Low | 65 Ų | 65 | 117.7 Ų | 117.7 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | trans | -74.8 | 103.7 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | P56 R62 | P56-S60 PolarHBondContact O-N 3.38Å; S60-R62 PolarHBondContact O-N 3.1Å; S60-R62 VanDerWaalsContact O-N 3.1Å; S60-R62 PolarHBondContact OG-N 3.33Å; S60-R62 PolarHBondContact OG-O 2.84Å | ||
| 61 | A | 51.2 | Low | 61 | Low | 109 Ų | 109 | 117.8 Ų | 117.8 | 90% | 0.901 | 63% | 0.627 | S | S | * | * | trans | -65.7 | -5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y59 | Y59-A61 PolarHBondContact O-N 3.39Å; Y59-A61 VanDerWaalsContact O-N 3.13Å | ||
| 62 | R | 48 | Very low | 61.6 | Low | 214 Ų | 214 | 119.3 Ų | 119.3 | 81% | 0.808 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -98 | 106.1 | 175.2 | -62.4 | -175.4 | -147.1 | -128.4 | 3.4 | 108.5 | S60 | S60-R62 PolarHBondContact O-N 3.1Å; S60-R62 VanDerWaalsContact O-N 3.1Å; S60-R62 PolarHBondContact OG-N 3.33Å; S60-R62 PolarHBondContact OG-O 2.84Å |
| 63 | S | 51.1 | Low | 62.3 | Low | 94 Ų | 94 | 122.2 Ų | 122.2 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | trans | -51.5 | 132.9 | 163.5 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | S65 | S63-S65 PolarHBondContact O-N 3.5Š| ||
| 64 | P | 54.1 | Low | 62.9 | Low | 115 Ų | 115 | 118.3 Ų | 118.3 | 75% | 0.747 | 63% | 0.632 | S | S | * | * | trans | -53.9 | 138.6 | 176.5 | 21.4 | -31.5 | 0 | 0 | 0 | 109.5 | R66 | P64-R66 PolarHBondContact O-N 3.39Š| ||
| 65 | S | 56 | Low | 63.8 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 85% | 0.846 | 62% | 0.621 | S | S | * | * | trans | -55.1 | 104.3 | -173.1 | 59.5 | 0 | 0 | 0 | 0 | 109.6 | S63 R67 | S63-S65 PolarHBondContact O-N 3.5Å; S65-R67 PolarHBondContact O-N 3.29Å | ||
| 66 | R | 57.2 | Low | 65 | Low | 196 Ų | 196 | 117.4 Ų | 117.4 | 74% | 0.74 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 129.4 | 176.8 | -72.9 | -174.3 | 178 | -114 | 4.6 | 107.1 | P64 | P64-R66 PolarHBondContact O-N 3.39Š|
| 67 | R | 58.5 | Low | 65.8 | Low | 230 Ų | 230 | 118 Ų | 118 | 87% | 0.868 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 134.7 | 171.3 | -67.9 | -170.3 | -179.6 | -147.3 | 0.9 | 109 | S65 R69 | S65-R67 PolarHBondContact O-N 3.29Å; R67-R69 PolarHBondContact O-N 2.88Å |
| 68 | P | 64 | Low | 67 | Low | 80 Ų | 80 | 113.8 Ų | 113.8 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 127.7 | -179.5 | 23.6 | -32.3 | 0 | 0 | 0 | 108.7 | V70 L78 | P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 HydrophobicContact CB-CG2 4.08Å; P68-V70 PolarHBondContact O-N 3.21Å; P68-L78 HydrophobicContact CG-CD1 4.11Å; P68-L78 HydrophobicContact CG-CD2 3.9Å |
| 69 | R | 69.4 | Low | 68.1 | Low | 225 Ų | 225 | 115.2 Ų | 115.2 | 85% | 0.849 | 60% | 0.601 | S | S | * | * | trans | -75.1 | 82.1 | -179.6 | -63.3 | -176.9 | -161.4 | 175.9 | 5.3 | 108.6 | R67 | R67-R69 PolarHBondContact O-N 2.88Š| ||
| 70 | V | 79.1 | Confident | 69.2 | Low | 54 Ų | 54 | 119.8 Ų | 119.8 | 33% | 0.327 | 62% | 0.618 | S | S | . | * | trans | -106.7 | 125.1 | 178.9 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | P68 A74 L78 | P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 HydrophobicContact CB-CG2 4.08Å; P68-V70 PolarHBondContact O-N 3.21Å; V70-A74 HydrophobicContact CG1-CB 3.6Å; V70-A74 VanDerWaalsContact CG1-O 3.24Å; V70-A74 WeakPolarHBondContact CG1-O 3.24Å; V70-L78 HydrophobicContact CG1-CB 4.44Å; V70-L78 HydrophobicContact CG2-CB 4.32Å; V70-L78 HydrophobicContact CG2-CD1 4.44Å; V70-L78 HydrophobicContact CG2-CD2 4.01Å; V70-L78 HydrophobicContact CG2-CG 4.49Å | ||
| 71 | G | 79.1 | Confident | 70 | Confident | 39 Ų | 39 | 119 Ų | 119 | 40% | 0.402 | 62% | 0.62 | S | S | . | * | trans | -68.1 | 160.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N73 A74 | G71-N73 PolarHBondContact O-N 2.96Å; G71-N73 VanDerWaalsContact O-N 3.13Å; G71-A74 PolarHBondContact O-N 3.4Å | ||
| 72 | P | 79.1 | Confident | 71.2 | Confident | 111 Ų | 111 | 117.7 Ų | 117.7 | 72% | 0.721 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -55.7 | -35.8 | -173.9 | 17.9 | -29.6 | 0 | 0 | 0 | 113.6 | A74 T75 | P72-A74 VanDerWaalsContact C-N 3.3Å; P72-A74 PolarHBondContact O-N 2.94Å; P72-T75 WeakPolarHBondContact O-CG2 3.49Å; P72-T75 PolarHBondContact O-OG1 3.01Å |
| 73 | N | 81.3 | Confident | 72.6 | Confident | 146 Ų | 146 | 114.8 Ų | 114.8 | 78% | 0.781 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -78.9 | -7.5 | 179.8 | -62.7 | -13.7 | 0 | 0 | 0 | 114.4 | G71 Y76 | G71-N73 PolarHBondContact O-N 2.96Å; G71-N73 VanDerWaalsContact O-N 3.13Å; N73-Y76 VanDerWaalsContact O-CD1 3.32Å; N73-Y76 WeakPolarHBondContact O-CD1 3.11Å; N73-Y76 WeakPolarHBondContact O-CE1 3.38Å |
| 74 | A | 81.4 | Confident | 73.7 | Confident | 35 Ų | 35 | 112.2 Ų | 112.2 | 29% | 0.289 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -111.7 | 5.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V70 G71 P72 Y76 I77 L78 | V70-A74 HydrophobicContact CG1-CB 3.6Å; V70-A74 VanDerWaalsContact CG1-O 3.24Å; V70-A74 WeakPolarHBondContact CG1-O 3.24Å; G71-A74 PolarHBondContact O-N 3.4Å; P72-A74 VanDerWaalsContact C-N 3.3Å; P72-A74 PolarHBondContact O-N 2.94Å; A74-Y76 VanDerWaalsContact C-N 3.3Å; A74-Y76 PolarHBondContact O-N 2.98Å; A74-I77 HydrophobicContact CB-CD1 4.46Å; A74-I77 WeakPolarHBondContact O-CB 3.35Å; A74-I77 PolarHBondContact O-N 3.16Å; A74-L78 PolarHBondContact O-N 3.39Å |
| 75 | T | 81.6 | Confident | 74.7 | Confident | 69 Ų | 69 | 112.6 Ų | 112.6 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.4 | -41.9 | 177.2 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | P72 I77 L78 E79 | P72-T75 WeakPolarHBondContact O-CG2 3.49Å; P72-T75 PolarHBondContact O-OG1 3.01Å; T75-I77 VanDerWaalsContact C-N 3.25Å; T75-I77 PolarHBondContact O-N 3.13Å; T75-L78 WeakPolarHBondContact O-CB 3.32Å; T75-L78 PolarHBondContact O-N 3.24Å; T75-L78 VanDerWaalsContact O-N 3.16Å; T75-E79 PolarHBondContact O-N 2.83Å |
| 76 | Y | 82.6 | Confident | 75.3 | Confident | 150 Ų | 150 | 112 Ų | 112 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.7 | -31.1 | 178.5 | 81.3 | -88.2 | 0 | 0 | 0 | 113.5 | N73 A74 R80 | N73-Y76 VanDerWaalsContact O-CD1 3.32Å; N73-Y76 WeakPolarHBondContact O-CD1 3.11Å; N73-Y76 WeakPolarHBondContact O-CE1 3.38Å; A74-Y76 VanDerWaalsContact C-N 3.3Å; A74-Y76 PolarHBondContact O-N 2.98Å; Y76-R80 VanDerWaalsContact O-CB 3.29Å; Y76-R80 WeakPolarHBondContact O-CB 3.5Å; Y76-R80 PolarHBondContact O-N 3.4Å |
| 77 | I | 80.8 | Confident | 76 | Confident | 94 Ų | 94 | 102.8 Ų | 102.8 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.7 | -42.5 | 178.5 | -57.3 | 175.4 | 0 | 0 | 0 | 109.9 | A74 T75 R80 G81 | A74-I77 HydrophobicContact CB-CD1 4.46Å; A74-I77 WeakPolarHBondContact O-CB 3.35Å; A74-I77 PolarHBondContact O-N 3.16Å; T75-I77 VanDerWaalsContact C-N 3.25Å; T75-I77 PolarHBondContact O-N 3.13Å; I77-R80 PolarHBondContact O-N 2.76Å; I77-G81 PolarHBondContact O-N 3.44Å |
| 78 | L | 79.8 | Confident | 76.5 | Confident | 60 Ų | 60 | 96 Ų | 96 | 31% | 0.314 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 176.2 | -179 | 68 | 0 | 0 | 0 | 110.7 | P68 V70 A74 T75 R80 G81 Q82 | P68-L78 HydrophobicContact CG-CD1 4.11Å; P68-L78 HydrophobicContact CG-CD2 3.9Å; V70-L78 HydrophobicContact CG1-CB 4.44Å; V70-L78 HydrophobicContact CG2-CB 4.32Å; V70-L78 HydrophobicContact CG2-CD1 4.44Å; V70-L78 HydrophobicContact CG2-CD2 4.01Å; V70-L78 HydrophobicContact CG2-CG 4.49Å; A74-L78 PolarHBondContact O-N 3.39Å; T75-L78 WeakPolarHBondContact O-CB 3.32Å; T75-L78 PolarHBondContact O-N 3.24Å; T75-L78 VanDerWaalsContact O-N 3.16Å; L78-R80 VanDerWaalsContact C-N 3.32Å; L78-R80 PolarHBondContact O-N 2.94Å; L78-G81 PolarHBondContact O-N 2.8Å; L78-G81 VanDerWaalsContact O-N 3.16Å; L78-Q82 WeakPolarHBondContact O-CG 3.21Å; L78-Q82 PolarHBondContact O-N 3.42Å |
| 79 | E | 80.8 | Confident | 76.6 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 178 | -73.2 | -169.3 | -169.6 | 0 | 0 | 112.4 | T75 G81 Q82 K83 | T75-E79 PolarHBondContact O-N 2.83Å; E79-G81 VanDerWaalsContact C-N 3.29Å; E79-G81 PolarHBondContact O-N 3.18Å; E79-Q82 PolarHBondContact O-N 2.88Å; E79-K83 WeakPolarHBondContact O-CG 3.45Å; E79-K83 PolarHBondContact O-N 2.92Å; E79-K83 IonicContact OE2-NZ 2.97Å |
| 80 | R | 81.3 | Confident | 76.5 | Confident | 207 Ų | 207 | 92.5 Ų | 92.5 | 78% | 0.781 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -36.4 | 175.1 | -175.8 | -179.7 | 179 | -169.9 | 0.8 | 112.2 | Y76 I77 L78 | Y76-R80 VanDerWaalsContact O-CB 3.29Å; Y76-R80 WeakPolarHBondContact O-CB 3.5Å; Y76-R80 PolarHBondContact O-N 3.4Å; I77-R80 PolarHBondContact O-N 2.76Å; L78-R80 VanDerWaalsContact C-N 3.32Å; L78-R80 PolarHBondContact O-N 2.94Å |
| 81 | G | 73.9 | Confident | 75.8 | Confident | 49 Ų | 49 | 97.5 Ų | 97.5 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.4 | -26.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | I77 L78 E79 | I77-G81 PolarHBondContact O-N 3.44Å; L78-G81 PolarHBondContact O-N 2.8Å; L78-G81 VanDerWaalsContact O-N 3.16Å; E79-G81 VanDerWaalsContact C-N 3.29Å; E79-G81 PolarHBondContact O-N 3.18Å |
| 82 | Q | 76.6 | Confident | 75 | Confident | 80 Ų | 80 | 100.5 Ų | 100.5 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -83.7 | -24.6 | 177 | -72.1 | -177.5 | -1.6 | 0 | 0 | 113.4 | L78 E79 | L78-Q82 WeakPolarHBondContact O-CG 3.21Å; L78-Q82 PolarHBondContact O-N 3.42Å; E79-Q82 PolarHBondContact O-N 2.88Å |
| 83 | K | 77.4 | Confident | 74 | Confident | 154 Ų | 154 | 103.1 Ų | 103.1 | 67% | 0.67 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -88.2 | 115.6 | 179 | -72.1 | 174.3 | 179.6 | 168.9 | 0 | 110.5 | E79 | E79-K83 WeakPolarHBondContact O-CG 3.45Å; E79-K83 PolarHBondContact O-N 2.92Å; E79-K83 IonicContact OE2-NZ 2.97Å |
| 84 | G | 74.7 | Confident | 72.9 | Confident | 39 Ų | 39 | 99.6 Ų | 99.6 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | S | Bend | trans | 128.4 | 172.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | V86 G87 D88 | G84-V86 PolarHBondContact O-N 3.25Å; G84-V86 VanDerWaalsContact O-N 3.08Å; G84-G87 CarbonylContact O-C 3.58Å; G84-G87 WeakPolarHBondContact O-CA 3.25Å; G84-G87 PolarHBondContact O-N 3.01Å; G84-D88 PolarHBondContact O-N 3.29Å |
| 85 | V | 74.9 | Confident | 71.3 | Confident | 124 Ų | 124 | 104.3 Ų | 104.3 | 75% | 0.752 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -52.2 | -38.9 | -172.9 | -178.2 | 0 | 0 | 0 | 0 | 113.1 | L89 | V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 PolarHBondContact O-N 3.28Å |
| 86 | V | 67 | Low | 69.6 | Low | 107 Ų | 107 | 105.9 Ų | 105.9 | 65% | 0.648 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.7 | -37.9 | 177.3 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | G84 L89 L90 | G84-V86 PolarHBondContact O-N 3.25Å; G84-V86 VanDerWaalsContact O-N 3.08Å; V86-L89 WeakPolarHBondContact O-CB 3.25Å; V86-L89 PolarHBondContact O-N 3.08Å; V86-L90 HydrophobicContact CG1-CD1 4.25Å; V86-L90 VanDerWaalsContact O-CG 3.25Å; V86-L90 WeakPolarHBondContact O-CG 3.26Å; V86-L90 PolarHBondContact O-N 3.22Å; V86-L90 VanDerWaalsContact O-N 3.11Å |
| 87 | G | 72 | Confident | 68.1 | Low | 4 Ų | 4 | 104.8 Ų | 104.8 | 4% | 0.041 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -67.1 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G84 L90 R91 | G84-G87 CarbonylContact O-C 3.58Å; G84-G87 WeakPolarHBondContact O-CA 3.25Å; G84-G87 PolarHBondContact O-N 3.01Å; G87-L90 PolarHBondContact O-N 3.23Å; G87-R91 WeakPolarHBondContact O-CG 3.41Å; G87-R91 PolarHBondContact O-N 2.88Å |
| 88 | D | 70.4 | Confident | 66.6 | Low | 88 Ų | 88 | 105.6 Ų | 105.6 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.9 | -39 | 173.8 | -66 | -30.5 | 0 | 0 | 0 | 111.3 | G84 L90 R91 L92 | G84-D88 PolarHBondContact O-N 3.29Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 3Å; D88-R91 PolarHBondContact O-N 2.94Å; D88-L92 PolarHBondContact O-N 3.05Å |
| 89 | L | 66.5 | Low | 65.2 | Low | 97 Ų | 97 | 107.9 Ų | 107.9 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.6 | -37.4 | 174.2 | -151.9 | 94.4 | 0 | 0 | 0 | 112.4 | V85 V86 I97 | V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 PolarHBondContact O-N 3.28Å; V86-L89 WeakPolarHBondContact O-CB 3.25Å; V86-L89 PolarHBondContact O-N 3.08Å; L89-I97 HydrophobicContact CD2-CD1 3.96Å |
| 90 | L | 66.8 | Low | 63.9 | Low | 134 Ų | 134 | 109 Ų | 109 | 70% | 0.702 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.3 | -20.2 | 179.1 | -68 | 170.5 | 0 | 0 | 0 | 113.2 | V86 G87 D88 L92 | V86-L90 HydrophobicContact CG1-CD1 4.25Å; V86-L90 VanDerWaalsContact O-CG 3.25Å; V86-L90 WeakPolarHBondContact O-CG 3.26Å; V86-L90 PolarHBondContact O-N 3.22Å; V86-L90 VanDerWaalsContact O-N 3.11Å; G87-L90 PolarHBondContact O-N 3.23Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 3Å; L90-L92 VanDerWaalsContact C-N 3.33Å |
| 91 | R | 64.9 | Low | 62.6 | Low | 159 Ų | 159 | 104.4 Ų | 104.4 | 60% | 0.6 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.9 | -13.6 | 173.9 | -84.5 | 176.8 | 149.9 | -169.7 | -6.3 | 113.7 | G87 D88 D93 | G87-R91 WeakPolarHBondContact O-CG 3.41Å; G87-R91 PolarHBondContact O-N 2.88Å; D88-R91 PolarHBondContact O-N 2.94Å; R91-D93 PolarHBondContact O-N 2.92Å |
| 92 | L | 62.2 | Low | 62.1 | Low | 102 Ų | 102 | 111.2 Ų | 111.2 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | trans | -71.1 | 81.6 | 173.8 | -64.1 | 175.6 | 0 | 0 | 0 | 109 | D88 L90 G94 L95 | D88-L92 PolarHBondContact O-N 3.05Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L92-G94 PolarHBondContact O-N 3.22Å; L92-L95 HydrophobicContact CD1-CD1 4.41Å | ||
| 93 | D | 56.4 | Low | 61.4 | Low | 166 Ų | 166 | 116.5 Ų | 116.5 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 104 | 168.4 | -79.1 | -31.3 | 0 | 0 | 0 | 108.8 | R91 | R91-D93 PolarHBondContact O-N 2.92Š|
| 94 | G | 58.3 | Low | 60.7 | Low | 72 Ų | 72 | 118.4 Ų | 118.4 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.6 | -5.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | L92 S96 | L92-G94 PolarHBondContact O-N 3.22Å; G94-S96 PolarHBondContact O-N 3.43Å |
| 95 | L | 48.4 | Very low | 60.3 | Low | 133 Ų | 133 | 125.3 Ų | 125.3 | 70% | 0.696 | 68% | 0.678 | S | S | * | * | trans | -96.9 | 91.3 | 173.8 | -62.3 | -179.4 | 0 | 0 | 0 | 110.4 | L92 I97 | L92-L95 HydrophobicContact CD1-CD1 4.41Å; L95-I97 VanDerWaalsContact C-N 3.28Å; L95-I97 PolarHBondContact O-N 3.05Å | ||
| 96 | S | 47 | Very low | 60.1 | Low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | trans | -65.9 | 90.6 | 167.5 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | G94 T98 | G94-S96 PolarHBondContact O-N 3.43Å; S96-T98 PolarHBondContact O-N 3.16Å | ||
| 97 | I | 50.6 | Low | 60.6 | Low | 127 Ų | 127 | 130.4 Ų | 130.4 | 65% | 0.651 | 69% | 0.692 | S | S | * | * | trans | -65 | 94.8 | 156.6 | -59.9 | 168.6 | 0 | 0 | 0 | 104.2 | L89 L95 P99 | L89-I97 HydrophobicContact CD2-CD1 3.96Å; L95-I97 VanDerWaalsContact C-N 3.28Å; L95-I97 PolarHBondContact O-N 3.05Å; I97-P99 WeakPolarHBondContact O-CD 3.1Å; I97-P99 VanDerWaalsContact O-N 3.14Å | ||
| 98 | T | 48.1 | Very low | 61 | Low | 110 Ų | 110 | 135.6 Ų | 135.6 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | trans | -66.1 | 108.1 | 166.3 | 47.2 | 0 | 0 | 0 | 0 | 105.9 | S96 V100 | S96-T98 PolarHBondContact O-N 3.16Å; T98-V100 PolarHBondContact O-N 3.03Å | ||
| 99 | P | 50.2 | Low | 61.8 | Low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -61.8 | 120.4 | 170 | 27.6 | -31.6 | 0 | 0 | 0 | 105.9 | I97 P101 | I97-P99 WeakPolarHBondContact O-CD 3.1Å; I97-P99 VanDerWaalsContact O-N 3.14Å; P99-P101 VanDerWaalsContact O-CD 3.29Å; P99-P101 WeakPolarHBondContact O-CD 3.47Å | ||
| 100 | V | 55.3 | Low | 62.9 | Low | 126 Ų | 126 | 137 Ų | 137 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | -52.6 | 116.9 | 168.7 | 175 | 0 | 0 | 0 | 0 | 105.9 | T98 K102 | T98-V100 PolarHBondContact O-N 3.03Å; V100-K102 PolarHBondContact O-N 3.41Å | ||
| 101 | P | 54 | Low | 64 | Low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | trans | -64.5 | 112.1 | -177.5 | 24.4 | -30.8 | 0 | 0 | 0 | 106.6 | P99 Q103 | P99-P101 VanDerWaalsContact O-CD 3.29Å; P99-P101 WeakPolarHBondContact O-CD 3.47Å; P101-Q103 PolarHBondContact O-N 3.43Å | ||
| 102 | K | 61.9 | Low | 65.3 | Low | 193 Ų | 193 | 132.7 Ų | 132.7 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | trans | -49.9 | 119 | 164.3 | -67.5 | -176.6 | 179.2 | -178.1 | 0 | 105.7 | V100 K104 | V100-K102 PolarHBondContact O-N 3.41Å; K102-K104 PolarHBondContact O-N 2.8Å | ||
| 103 | Q | 61.6 | Low | 66.7 | Low | 190 Ų | 190 | 130 Ų | 130 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | trans | -53.5 | 107.8 | 175.4 | -81.3 | -176.3 | -11.9 | 0 | 0 | 106.7 | P101 Q105 | P101-Q103 PolarHBondContact O-N 3.43Å; Q103-Q105 PolarHBondContact O-N 3.02Å; Q103-Q105 VanDerWaalsContact O-N 3.16Å | ||
| 104 | K | 63.7 | Low | 68.5 | Low | 195 Ų | 195 | 126.7 Ų | 126.7 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | trans | -56.8 | 125.6 | 172.7 | -68.9 | -178 | 179.2 | -179.8 | 0 | 105.4 | K102 K106 | K102-K104 PolarHBondContact O-N 2.8Å; K104-K106 PolarHBondContact O-N 3.21Å | ||
| 105 | Q | 65.3 | Low | 70.3 | Confident | 184 Ų | 184 | 126.9 Ų | 126.9 | 86% | 0.86 | 66% | 0.662 | S | S | * | * | trans | -50 | 122.1 | 170.9 | -73.5 | -178 | -14.6 | 0 | 0 | 107.1 | Q103 V107 | Q103-Q105 PolarHBondContact O-N 3.02Å; Q103-Q105 VanDerWaalsContact O-N 3.16Å; Q105-V107 PolarHBondContact O-N 3.33Å | ||
| 106 | K | 71.9 | Confident | 72.5 | Confident | 207 Ų | 207 | 128.9 Ų | 128.9 | 90% | 0.9 | 66% | 0.66 | S | S | * | * | trans | -58.8 | 109.7 | 177.2 | -108.1 | 175.5 | 176.8 | 174.1 | 0 | 106.6 | K104 H108 | K104-K106 PolarHBondContact O-N 3.21Å; K106-H108 PolarHBondContact O-N 3.42Å | ||
| 107 | V | 77.3 | Confident | 74.9 | Confident | 130 Ų | 130 | 131.8 Ų | 131.8 | 79% | 0.788 | 66% | 0.655 | S | S | * | * | trans | -60.9 | 122.9 | 172.3 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | Q105 D109 | Q105-V107 PolarHBondContact O-N 3.33Å; V107-D109 PolarHBondContact O-N 2.8Å | ||
| 108 | H | 81.3 | Confident | 77 | Confident | 113 Ų | 113 | 130.5 Ų | 130.5 | 52% | 0.523 | 65% | 0.649 | S | S | . | * | trans | -73.7 | 126.6 | -175.5 | -159.2 | 10.4 | 0 | 0 | 0 | 109.7 | K106 F110 D113 | K106-H108 PolarHBondContact O-N 3.42Å; H108-F110 VanDerWaalsContact C-N 3.27Å; H108-F110 HydrophobicContact CB-CE1 4.49Å; H108-F110 HydrophobicContact CB-CE2 4.17Å; H108-F110 HydrophobicContact CB-CZ 4.11Å; H108-F110 VanDerWaalsContact O-CD2 3.24Å; H108-F110 WeakPolarHBondContact O-CD2 3.39Å; H108-F110 PolarHBondContact O-N 2.93Å; H108-D113 IonicContact CD2-OD2 2.76Å; H108-D113 IonicContact CE1-OD2 2.83Å; H108-D113 PolarHBondContact CE1-OD2 3.01Å; H108-D113 IonicContact CG-OD2 3.28Å; H108-D113 IonicContact ND1-OD2 3.69Å; H108-D113 PolarHBondContact ND1-OD2 3.32Å; H108-D113 IonicContact NE2-OD2 2.77Å; H108-D113 PolarHBondContact NE2-OD2 3.14Å | ||
| 109 | D | 85.9 | Confident | 79.3 | Confident | 78 Ų | 78 | 133.4 Ų | 133.4 | 42% | 0.417 | 65% | 0.648 | S | S | . | * | trans | -75.2 | 76 | 178.1 | -74.4 | -14.2 | 0 | 0 | 0 | 111.1 | V107 S111 K112 D113 | V107-D109 PolarHBondContact O-N 2.8Å; D109-S111 PolarHBondContact O-N 2.92Å; D109-K112 HydrophobicContact CB-CB 4.19Å; D109-K112 HydrophobicContact CB-CD 3.98Å; D109-K112 HydrophobicContact CB-CG 4.17Å; D109-K112 PolarHBondContact O-N 3.27Å; D109-K112 WeakPolarHBondContact OD2-CE 3.27Å; D109-K112 IonicContact OD2-NZ 2.85Å; D109-K112 PolarHBondContact OD2-NZ 2.9Å; D109-D113 PolarHBondContact O-N 2.89Å | ||
| 110 | F | 90.1 | Very high | 81.5 | Confident | 136 Ų | 136 | 134.5 Ų | 134.5 | 60% | 0.596 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -56 | -26.8 | 179.3 | -65.5 | -74.3 | 0 | 0 | 0 | 113.4 | H108 D113 N114 | H108-F110 VanDerWaalsContact C-N 3.27Å; H108-F110 HydrophobicContact CB-CE1 4.49Å; H108-F110 HydrophobicContact CB-CE2 4.17Å; H108-F110 HydrophobicContact CB-CZ 4.11Å; H108-F110 VanDerWaalsContact O-CD2 3.24Å; H108-F110 WeakPolarHBondContact O-CD2 3.39Å; H108-F110 PolarHBondContact O-N 2.93Å; F110-D113 PolarHBondContact O-N 3.22Å; F110-N114 WeakPolarHBondContact O-CB 3.33Å; F110-N114 PolarHBondContact O-N 3.21Å; F110-N114 PolarHBondContact O-ND2 3.47Å; F110-N114 VanDerWaalsContact O-ND2 3.12Å |
| 111 | S | 88.7 | Confident | 83.5 | Confident | 82 Ų | 82 | 132.6 Ų | 132.6 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.1 | -41.9 | 174.3 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | D109 V115 | D109-S111 PolarHBondContact O-N 2.92Å; S111-V115 VanDerWaalsContact O-CG2 3.25Å; S111-V115 WeakPolarHBondContact O-CG2 3.28Å; S111-V115 PolarHBondContact O-N 3.41Å; S111-V115 VanDerWaalsContact O-N 3.14Å |
| 112 | K | 93.2 | Very high | 85.4 | Confident | 122 Ų | 122 | 132.9 Ų | 132.9 | 53% | 0.53 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.1 | -40.1 | 178.4 | -70.4 | 178 | -175.9 | 154.1 | 0 | 111.4 | D109 V115 R116 | D109-K112 HydrophobicContact CB-CB 4.19Å; D109-K112 HydrophobicContact CB-CD 3.98Å; D109-K112 HydrophobicContact CB-CG 4.17Å; D109-K112 PolarHBondContact O-N 3.27Å; D109-K112 WeakPolarHBondContact OD2-CE 3.27Å; D109-K112 IonicContact OD2-NZ 2.85Å; D109-K112 PolarHBondContact OD2-NZ 2.9Å; K112-V115 PolarHBondContact O-N 3.02Å; K112-R116 WeakPolarHBondContact O-CG 3.35Å; K112-R116 PolarHBondContact O-N 3.29Å |
| 113 | D | 92.3 | Very high | 87.1 | Confident | 45 Ų | 45 | 131.5 Ų | 131.5 | 24% | 0.241 | 61% | 0.61 | C | S | . | * | H | α-helix | trans | -70.3 | -36.8 | 178.9 | -62.1 | -42.6 | 0 | 0 | 0 | 112.1 | H108 D109 F110 V115 R116 R117 | H108-D113 IonicContact CD2-OD2 2.76Å; H108-D113 IonicContact CE1-OD2 2.83Å; H108-D113 PolarHBondContact CE1-OD2 3.01Å; H108-D113 IonicContact CG-OD2 3.28Å; H108-D113 IonicContact ND1-OD2 3.69Å; H108-D113 PolarHBondContact ND1-OD2 3.32Å; H108-D113 IonicContact NE2-OD2 2.77Å; H108-D113 PolarHBondContact NE2-OD2 3.14Å; D109-D113 PolarHBondContact O-N 2.89Å; F110-D113 PolarHBondContact O-N 3.22Å; D113-V115 VanDerWaalsContact C-N 3.32Å; D113-V115 PolarHBondContact O-N 3.44Å; D113-R116 PolarHBondContact O-N 2.79Å; D113-R117 VanDerWaalsContact O-CB 3.22Å; D113-R117 WeakPolarHBondContact O-CB 3.31Å; D113-R117 PolarHBondContact O-N 3.26Å |
| 114 | N | 93.4 | Very high | 88.7 | Confident | 97 Ų | 97 | 130.3 Ų | 130.3 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.9 | -40.8 | 171.7 | -73.2 | -21.6 | 0 | 0 | 0 | 111.6 | F110 R117 L118 | F110-N114 WeakPolarHBondContact O-CB 3.33Å; F110-N114 PolarHBondContact O-N 3.21Å; F110-N114 PolarHBondContact O-ND2 3.47Å; F110-N114 VanDerWaalsContact O-ND2 3.12Å; N114-R117 PolarHBondContact O-N 3.37Å; N114-L118 VanDerWaalsContact O-CB 3.29Å; N114-L118 WeakPolarHBondContact O-CB 3.46Å; N114-L118 PolarHBondContact O-N 2.92Å |
| 115 | V | 96.7 | Very high | 90.1 | Very high | 75 Ų | 75 | 124.2 Ų | 124.2 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 175 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | S111 K112 D113 L118 R119 | S111-V115 VanDerWaalsContact O-CG2 3.25Å; S111-V115 WeakPolarHBondContact O-CG2 3.28Å; S111-V115 PolarHBondContact O-N 3.41Å; S111-V115 VanDerWaalsContact O-N 3.14Å; K112-V115 PolarHBondContact O-N 3.02Å; D113-V115 VanDerWaalsContact C-N 3.32Å; D113-V115 PolarHBondContact O-N 3.44Å; V115-L118 PolarHBondContact O-N 2.99Å; V115-R119 WeakPolarHBondContact O-CG 3.1Å; V115-R119 PolarHBondContact O-N 3.39Å |
| 116 | R | 94.8 | Very high | 91.5 | Very high | 176 Ų | 176 | 123 Ų | 123 | 66% | 0.664 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.5 | -48.1 | 175.6 | -74.9 | 174.8 | 176.9 | -168.4 | -2.7 | 111.2 | K112 D113 L118 R119 E120 | K112-R116 WeakPolarHBondContact O-CG 3.35Å; K112-R116 PolarHBondContact O-N 3.29Å; D113-R116 PolarHBondContact O-N 2.79Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 3.45Å; R116-R119 PolarHBondContact O-N 3.48Å; R116-E120 WeakPolarHBondContact O-CB 3.29Å; R116-E120 PolarHBondContact O-N 3.31Å |
| 117 | R | 96.3 | Very high | 92.6 | Very high | 164 Ų | 164 | 117.9 Ų | 117.9 | 62% | 0.619 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 176.8 | -172.6 | -179.7 | -178.5 | -151.1 | 0.4 | 111.7 | D113 N114 E120 I121 | D113-R117 VanDerWaalsContact O-CB 3.22Å; D113-R117 WeakPolarHBondContact O-CB 3.31Å; D113-R117 PolarHBondContact O-N 3.26Å; N114-R117 PolarHBondContact O-N 3.37Å; R117-E120 PolarHBondContact O-N 2.9Å; R117-I121 HydrophobicContact CG-CD1 4.1Å; R117-I121 VanDerWaalsContact O-CG1 3.25Å; R117-I121 WeakPolarHBondContact O-CG1 3.29Å; R117-I121 PolarHBondContact O-N 2.93Å |
| 118 | L | 95.8 | Very high | 93 | Very high | 99 Ų | 99 | 115.8 Ų | 115.8 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177 | -170.2 | 71 | 0 | 0 | 0 | 111.4 | N114 V115 R116 E120 I121 Q122 | N114-L118 VanDerWaalsContact O-CB 3.29Å; N114-L118 WeakPolarHBondContact O-CB 3.46Å; N114-L118 PolarHBondContact O-N 2.92Å; V115-L118 PolarHBondContact O-N 2.99Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 3.45Å; L118-E120 VanDerWaalsContact C-N 3.32Å; L118-E120 PolarHBondContact O-N 3.48Å; L118-I121 PolarHBondContact O-N 2.85Å; L118-Q122 WeakPolarHBondContact O-CB 3.42Å; L118-Q122 VanDerWaalsContact O-CG 3.3Å; L118-Q122 WeakPolarHBondContact O-CG 3.4Å; L118-Q122 PolarHBondContact O-N 3.49Å |
| 119 | R | 96.6 | Very high | 93.1 | Very high | 172 Ų | 172 | 116.2 Ų | 116.2 | 65% | 0.649 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -37.5 | 175.8 | -73.4 | -179.5 | -177.3 | -137.9 | 1.5 | 112.3 | V115 R116 Q122 R123 | V115-R119 WeakPolarHBondContact O-CG 3.1Å; V115-R119 PolarHBondContact O-N 3.39Å; R116-R119 PolarHBondContact O-N 3.48Å; R119-Q122 PolarHBondContact O-N 2.85Å; R119-R123 WeakPolarHBondContact O-CB 3.43Å; R119-R123 PolarHBondContact O-N 3.06Å |
| 120 | E | 96.5 | Very high | 93.2 | Very high | 131 Ų | 131 | 114.4 Ų | 114.4 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -43.3 | 176 | -172.8 | 173.6 | -159.8 | 0 | 0 | 111.6 | R116 R117 L118 Q122 R123 R124 | R116-E120 WeakPolarHBondContact O-CB 3.29Å; R116-E120 PolarHBondContact O-N 3.31Å; R117-E120 PolarHBondContact O-N 2.9Å; L118-E120 VanDerWaalsContact C-N 3.32Å; L118-E120 PolarHBondContact O-N 3.48Å; E120-Q122 PolarHBondContact O-N 3.49Å; E120-R123 WeakPolarHBondContact O-CB 3.45Å; E120-R123 PolarHBondContact O-N 2.93Å; E120-R124 WeakPolarHBondContact O-CB 3.35Å; E120-R124 PolarHBondContact O-N 3.01Å |
| 121 | I | 95.4 | Very high | 92.9 | Very high | 85 Ų | 85 | 114 Ų | 114 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.1 | -69.5 | 164.9 | 0 | 0 | 0 | 110.4 | R117 L118 R123 R124 C125 | R117-I121 HydrophobicContact CG-CD1 4.1Å; R117-I121 VanDerWaalsContact O-CG1 3.25Å; R117-I121 WeakPolarHBondContact O-CG1 3.29Å; R117-I121 PolarHBondContact O-N 2.93Å; L118-I121 PolarHBondContact O-N 2.85Å; I121-R123 VanDerWaalsContact C-N 3.32Å; I121-R123 PolarHBondContact O-N 3.14Å; I121-R124 PolarHBondContact O-N 3.4Å; I121-C125 WeakPolarHBondContact O-CB 3.49Å; I121-C125 PolarHBondContact O-N 3.39Å; I121-C125 PolarHBondContact O-SG 2.9Å; I121-C125 VanDerWaalsContact O-SG 3.34Å |
| 122 | Q | 95.4 | Very high | 92.4 | Very high | 116 Ų | 116 | 118.1 Ų | 118.1 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 177.4 | -75.1 | 174.5 | -20.6 | 0 | 0 | 112 | L118 R119 E120 K126 | L118-Q122 WeakPolarHBondContact O-CB 3.42Å; L118-Q122 VanDerWaalsContact O-CG 3.3Å; L118-Q122 WeakPolarHBondContact O-CG 3.4Å; L118-Q122 PolarHBondContact O-N 3.49Å; R119-Q122 PolarHBondContact O-N 2.85Å; E120-Q122 PolarHBondContact O-N 3.49Å; Q122-K126 WeakPolarHBondContact O-CB 3.37Å; Q122-K126 PolarHBondContact O-N 3.25Å |
| 123 | R | 96.4 | Very high | 91.5 | Very high | 165 Ų | 165 | 118.2 Ų | 118.2 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.6 | -51 | 175.6 | -174 | -169.7 | -58.8 | 179.3 | 0.5 | 111 | R119 E120 I121 C125 K126 E127 | R119-R123 WeakPolarHBondContact O-CB 3.43Å; R119-R123 PolarHBondContact O-N 3.06Å; E120-R123 WeakPolarHBondContact O-CB 3.45Å; E120-R123 PolarHBondContact O-N 2.93Å; I121-R123 VanDerWaalsContact C-N 3.32Å; I121-R123 PolarHBondContact O-N 3.14Å; R123-C125 VanDerWaalsContact C-N 3.34Å; R123-C125 PolarHBondContact O-N 3.04Å; R123-K126 WeakPolarHBondContact O-CB 3.02Å; R123-K126 PolarHBondContact O-N 3.12Å; R123-K126 VanDerWaalsContact O-N 3.11Å; R123-E127 WeakPolarHBondContact CD-OE1 3.29Å; R123-E127 HydrophobicContact CG-CG 4.49Å; R123-E127 VanDerWaalsContact CG-OE1 3.31Å; R123-E127 WeakPolarHBondContact CG-OE1 3.19Å; R123-E127 WeakPolarHBondContact O-CG 3.24Å; R123-E127 PolarHBondContact O-N 2.88Å |
| 124 | R | 96 | Very high | 90.6 | Very high | 164 Ų | 164 | 124.1 Ų | 124.1 | 62% | 0.619 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -41 | -179.4 | -172.2 | -179.6 | -179.8 | -173.8 | 0.8 | 112.2 | E120 I121 K126 E127 Q128 | E120-R124 WeakPolarHBondContact O-CB 3.35Å; E120-R124 PolarHBondContact O-N 3.01Å; I121-R124 PolarHBondContact O-N 3.4Å; R124-K126 VanDerWaalsContact C-N 3.33Å; R124-E127 PolarHBondContact O-N 3.25Å; R124-Q128 WeakPolarHBondContact O-CB 3.22Å; R124-Q128 VanDerWaalsContact O-CG 3.3Å; R124-Q128 WeakPolarHBondContact O-CG 3.3Å; R124-Q128 PolarHBondContact O-N 3.5Å |
| 125 | C | 93.6 | Very high | 89.8 | Confident | 68 Ų | 68 | 123.4 Ų | 123.4 | 46% | 0.459 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -40.9 | 175.1 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | I121 R123 Q128 E129 | I121-C125 WeakPolarHBondContact O-CB 3.49Å; I121-C125 PolarHBondContact O-N 3.39Å; I121-C125 PolarHBondContact O-SG 2.9Å; I121-C125 VanDerWaalsContact O-SG 3.34Å; R123-C125 VanDerWaalsContact C-N 3.34Å; R123-C125 PolarHBondContact O-N 3.04Å; C125-Q128 PolarHBondContact O-N 3.08Å; C125-E129 WeakPolarHBondContact O-CB 3.49Å; C125-E129 PolarHBondContact O-N 2.87Å |
| 126 | K | 94.5 | Very high | 88.4 | Confident | 159 Ų | 159 | 121.2 Ų | 121.2 | 69% | 0.691 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -39.8 | 176.5 | -170.3 | 179.6 | -178.8 | -177.8 | 0 | 112.2 | Q122 R123 R124 E129 A130 | Q122-K126 WeakPolarHBondContact O-CB 3.37Å; Q122-K126 PolarHBondContact O-N 3.25Å; R123-K126 WeakPolarHBondContact O-CB 3.02Å; R123-K126 PolarHBondContact O-N 3.12Å; R123-K126 VanDerWaalsContact O-N 3.11Å; R124-K126 VanDerWaalsContact C-N 3.33Å; K126-E129 PolarHBondContact O-N 3.11Å; K126-A130 WeakPolarHBondContact O-CB 3.23Å; K126-A130 PolarHBondContact O-N 2.99Å |
| 127 | E | 93.6 | Very high | 87.1 | Confident | 99 Ų | 99 | 119.3 Ų | 119.3 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -47.5 | 174 | -74.3 | 166.6 | -176.3 | 0 | 0 | 111 | R123 R124 E129 A130 E131 | R123-E127 WeakPolarHBondContact CD-OE1 3.29Å; R123-E127 HydrophobicContact CG-CG 4.49Å; R123-E127 VanDerWaalsContact CG-OE1 3.31Å; R123-E127 WeakPolarHBondContact CG-OE1 3.19Å; R123-E127 WeakPolarHBondContact O-CG 3.24Å; R123-E127 PolarHBondContact O-N 2.88Å; R124-E127 PolarHBondContact O-N 3.25Å; E127-E129 VanDerWaalsContact C-N 3.29Å; E127-E129 PolarHBondContact O-N 3.08Å; E127-A130 WeakPolarHBondContact O-CB 3.36Å; E127-A130 PolarHBondContact O-N 2.84Å; E127-A130 VanDerWaalsContact O-N 3.15Å; E127-E131 WeakPolarHBondContact O-CG 3.4Å; E127-E131 PolarHBondContact O-N 3.07Å |
| 128 | Q | 87.3 | Confident | 85.6 | Confident | 86 Ų | 86 | 115.5 Ų | 115.5 | 40% | 0.402 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.9 | -38.2 | 175.1 | -75.1 | 179.2 | 0.5 | 0 | 0 | 112.4 | R124 C125 R132 | R124-Q128 WeakPolarHBondContact O-CB 3.22Å; R124-Q128 VanDerWaalsContact O-CG 3.3Å; R124-Q128 WeakPolarHBondContact O-CG 3.3Å; R124-Q128 PolarHBondContact O-N 3.5Å; C125-Q128 PolarHBondContact O-N 3.08Å; Q128-R132 WeakPolarHBondContact O-CB 3.31Å; Q128-R132 WeakPolarHBondContact O-CG 3.48Å; Q128-R132 PolarHBondContact O-N 3.4Å |
| 129 | E | 82.8 | Confident | 84.2 | Confident | 121 Ų | 121 | 115.3 Ų | 115.3 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.3 | -41.1 | 175.4 | -169.5 | 172.2 | -165.7 | 0 | 0 | 111.4 | C125 K126 E127 R132 I133 | C125-E129 WeakPolarHBondContact O-CB 3.49Å; C125-E129 PolarHBondContact O-N 2.87Å; K126-E129 PolarHBondContact O-N 3.11Å; E127-E129 VanDerWaalsContact C-N 3.29Å; E127-E129 PolarHBondContact O-N 3.08Å; E129-R132 PolarHBondContact O-N 3.15Å; E129-I133 HydrophobicContact CG-CD1 4.19Å; E129-I133 WeakPolarHBondContact O-CD1 3.4Å; E129-I133 WeakPolarHBondContact O-CG1 3.45Å; E129-I133 PolarHBondContact O-N 3.37Å |
| 130 | A | 87.1 | Confident | 82.4 | Confident | 40 Ų | 40 | 114.5 Ų | 114.5 | 33% | 0.331 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.3 | -45.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K126 E127 R132 I133 H134 | K126-A130 WeakPolarHBondContact O-CB 3.23Å; K126-A130 PolarHBondContact O-N 2.99Å; E127-A130 WeakPolarHBondContact O-CB 3.36Å; E127-A130 PolarHBondContact O-N 2.84Å; E127-A130 VanDerWaalsContact O-N 3.15Å; A130-R132 VanDerWaalsContact C-N 3.31Å; A130-R132 PolarHBondContact O-N 3.16Å; A130-I133 PolarHBondContact O-N 3.02Å; A130-H134 WeakPolarHBondContact O-CB 3.31Å; A130-H134 PolarHBondContact O-CD2 2.72Å; A130-H134 PolarHBondContact O-N 3.35Å |
| 131 | E | 85.3 | Confident | 80.7 | Confident | 129 Ų | 129 | 117.6 Ų | 117.6 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.9 | -41.1 | 173.4 | -73.6 | 174.7 | 179.4 | 0 | 0 | 111.6 | E127 H134 A135 | E127-E131 WeakPolarHBondContact O-CG 3.4Å; E127-E131 PolarHBondContact O-N 3.07Å; E131-H134 CarbonylContact O-C 3.56Å; E131-H134 PolarHBondContact O-N 3.07Å; E131-A135 VanDerWaalsContact O-CB 3.22Å; E131-A135 WeakPolarHBondContact O-CB 3.43Å; E131-A135 PolarHBondContact O-N 2.98Å |
| 132 | R | 77.9 | Confident | 79.3 | Confident | 167 Ų | 167 | 116.8 Ų | 116.8 | 63% | 0.63 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.6 | -35.9 | 175.7 | -74.4 | 178.1 | 75.4 | -163.2 | 1.7 | 112.8 | Q128 E129 A130 A135 | Q128-R132 WeakPolarHBondContact O-CB 3.31Å; Q128-R132 WeakPolarHBondContact O-CG 3.48Å; Q128-R132 PolarHBondContact O-N 3.4Å; E129-R132 PolarHBondContact O-N 3.15Å; A130-R132 VanDerWaalsContact C-N 3.31Å; A130-R132 PolarHBondContact O-N 3.16Å; R132-A135 PolarHBondContact O-N 3.21Å |
| 133 | I | 74.6 | Confident | 77.8 | Confident | 125 Ų | 125 | 118.1 Ų | 118.1 | 64% | 0.641 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.4 | -42 | 173.4 | -68.1 | 162.4 | 0 | 0 | 0 | 109.8 | E129 A130 G136 | E129-I133 HydrophobicContact CG-CD1 4.19Å; E129-I133 WeakPolarHBondContact O-CD1 3.4Å; E129-I133 WeakPolarHBondContact O-CG1 3.45Å; E129-I133 PolarHBondContact O-N 3.37Å; A130-I133 PolarHBondContact O-N 3.02Å; I133-G136 PolarHBondContact O-N 2.89Å |
| 134 | H | 73.3 | Confident | 76 | Confident | 169 Ų | 169 | 121.5 Ų | 121.5 | 78% | 0.782 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67 | -32.8 | 174.9 | -74.3 | -60.5 | 0 | 0 | 0 | 113 | A130 E131 G136 | A130-H134 WeakPolarHBondContact O-CB 3.31Å; A130-H134 PolarHBondContact O-CD2 2.72Å; A130-H134 PolarHBondContact O-N 3.35Å; E131-H134 CarbonylContact O-C 3.56Å; E131-H134 PolarHBondContact O-N 3.07Å; H134-G136 PolarHBondContact O-N 3.15Å |
| 135 | A | 76.8 | Confident | 74.5 | Confident | 82 Ų | 82 | 118.8 Ų | 118.8 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -1.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E131 R132 | E131-A135 VanDerWaalsContact O-CB 3.22Å; E131-A135 WeakPolarHBondContact O-CB 3.43Å; E131-A135 PolarHBondContact O-N 2.98Å; R132-A135 PolarHBondContact O-N 3.21Å |
| 136 | G | 67.1 | Low | 73.6 | Confident | 29 Ų | 29 | 118.1 Ų | 118.1 | 30% | 0.299 | 63% | 0.625 | S | S | . | * | trans | 83.1 | 171.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I133 H134 V138 | I133-G136 PolarHBondContact O-N 2.89Å; H134-G136 PolarHBondContact O-N 3.15Å; G136-V138 PolarHBondContact O-N 3.28Å | ||
| 137 | P | 67.9 | Low | 72.8 | Confident | 136 Ų | 136 | 115.3 Ų | 115.3 | 88% | 0.883 | 63% | 0.626 | S | S | * | * | trans | -69.6 | 102.6 | -171.2 | 27 | -32.9 | 0 | 0 | 0 | 111.6 | ||||
| 138 | V | 64.3 | Low | 72.1 | Confident | 83 Ų | 83 | 118.5 Ų | 118.5 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | trans | -68.8 | 122.1 | 168.1 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | G136 V140 A142 | G136-V138 PolarHBondContact O-N 3.28Å; V138-V140 PolarHBondContact O-N 3.28Å; V138-A142 HydrophobicContact CG1-CB 4.49Å | ||
| 139 | P | 66.5 | Low | 71.3 | Confident | 96 Ų | 96 | 121.2 Ų | 121.2 | 62% | 0.623 | 65% | 0.646 | S | S | * | * | trans | -61 | 133.5 | -179.2 | 23.2 | -32 | 0 | 0 | 0 | 110.4 | K141 A142 | P139-K141 PolarHBondContact O-N 3.29Å; P139-A142 PolarHBondContact O-N 3.08Å; P139-A142 VanDerWaalsContact O-N 3.1Å | ||
| 140 | V | 58.5 | Low | 71 | Confident | 154 Ų | 154 | 122.3 Ų | 122.3 | 93% | 0.933 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -8.3 | -174 | -177.8 | 0 | 0 | 0 | 0 | 113.5 | V138 | V138-V140 PolarHBondContact O-N 3.28Š|
| 141 | K | 61 | Low | 70.5 | Confident | 196 Ų | 196 | 127.5 Ų | 127.5 | 85% | 0.852 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 48.8 | 176.2 | -67.1 | -179.6 | 172.8 | 176.2 | 0 | 112.3 | P139 L143 | P139-K141 PolarHBondContact O-N 3.29Å; K141-L143 PolarHBondContact O-N 2.98Å |
| 142 | A | 64.5 | Low | 70.4 | Confident | 69 Ų | 69 | 126.2 Ų | 126.2 | 57% | 0.57 | 67% | 0.673 | S | S | * | * | trans | -69 | 102.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | V138 P139 W144 | V138-A142 HydrophobicContact CG1-CB 4.49Å; P139-A142 PolarHBondContact O-N 3.08Å; P139-A142 VanDerWaalsContact O-N 3.1Å; A142-W144 PolarHBondContact O-N 3.11Å | ||
| 143 | L | 65.5 | Low | 70.2 | Confident | 143 Ų | 143 | 123 Ų | 123 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | -54 | 131.4 | 160.1 | -65.7 | 169.9 | 0 | 0 | 0 | 106.5 | K141 T145 | K141-L143 PolarHBondContact O-N 2.98Å; L143-T145 WeakPolarHBondContact O-CG2 3.44Å; L143-T145 PolarHBondContact O-N 2.98Å | ||
| 144 | W | 57.4 | Low | 70.4 | Confident | 237 Ų | 237 | 120.1 Ų | 120.1 | 90% | 0.898 | 67% | 0.665 | S | S | * | * | trans | -50 | 102.1 | 178 | 47.2 | -73.2 | 0 | 0 | 0 | 109.7 | A142 | A142-W144 PolarHBondContact O-N 3.11Š| ||
| 145 | T | 66.1 | Low | 70.6 | Confident | 106 Ų | 106 | 122.5 Ų | 122.5 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | trans | -85.5 | 121.8 | 174.7 | 51.9 | 0 | 0 | 0 | 0 | 107.3 | L143 | L143-T145 WeakPolarHBondContact O-CG2 3.44Å; L143-T145 PolarHBondContact O-N 2.98Å | ||
| 146 | S | 74.4 | Confident | 70.3 | Confident | 55 Ų | 55 | 122.8 Ų | 122.8 | 39% | 0.385 | 66% | 0.661 | S | S | . | * | trans | -66.7 | 146.9 | 171.2 | 63 | 0 | 0 | 0 | 0 | 109.3 | K148 Y149 | S146-K148 PolarHBondContact O-N 3.19Å; S146-Y149 PolarHBondContact O-N 3.01Å; S146-Y149 VanDerWaalsContact OG-CD2 3.27Å; S146-Y149 WeakPolarHBondContact OG-CD2 3.46Å | ||
| 147 | S | 77 | Confident | 70.6 | Confident | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -50.7 | -28.2 | -179.9 | 173.8 | 0 | 0 | 0 | 0 | 113 | Y149 Q150 | S147-Y149 PolarHBondContact O-N 2.81Å; S147-Y149 VanDerWaalsContact O-N 3.1Å; S147-Q150 PolarHBondContact O-N 3.41Å |
| 148 | K | 79.5 | Confident | 70.6 | Confident | 165 Ų | 165 | 122.7 Ų | 122.7 | 72% | 0.717 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -55.1 | -26.3 | 176 | -164.8 | 175.5 | -164.5 | 179.8 | 0 | 114.5 | S146 | S146-K148 PolarHBondContact O-N 3.19Š|
| 149 | Y | 70.2 | Confident | 70.8 | Confident | 144 Ų | 144 | 125.5 Ų | 125.5 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -117.9 | 8.5 | -174.2 | -57.6 | -72.6 | 0 | 0 | 0 | 114 | S146 S147 N151 V152 | S146-Y149 PolarHBondContact O-N 3.01Å; S146-Y149 VanDerWaalsContact OG-CD2 3.27Å; S146-Y149 WeakPolarHBondContact OG-CD2 3.46Å; S147-Y149 PolarHBondContact O-N 2.81Å; S147-Y149 VanDerWaalsContact O-N 3.1Å; Y149-N151 VanDerWaalsContact C-N 3.29Å; Y149-N151 PolarHBondContact O-N 2.83Å; Y149-V152 HydrophobicContact CD1-CG2 4.29Å |
| 150 | Q | 76 | Confident | 70.5 | Confident | 143 Ų | 143 | 125.9 Ų | 125.9 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -29.4 | -176.6 | -168.8 | 159 | 6.7 | 0 | 0 | 113.1 | S147 | S147-Q150 PolarHBondContact O-N 3.41Š|
| 151 | N | 77.4 | Confident | 70.8 | Confident | 150 Ų | 150 | 126.1 Ų | 126.1 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 16.7 | -176.5 | -59.7 | -32.6 | 0 | 0 | 0 | 113.3 | Y149 P153 | Y149-N151 VanDerWaalsContact C-N 3.29Å; Y149-N151 PolarHBondContact O-N 2.83Å; N151-P153 WeakPolarHBondContact O-CD 3.46Å |
| 152 | V | 81.6 | Confident | 70.7 | Confident | 101 Ų | 101 | 123 Ų | 123 | 61% | 0.612 | 64% | 0.642 | S | S | * | * | trans | -91 | 103.9 | 178.5 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | Y149 | Y149-V152 HydrophobicContact CD1-CG2 4.29Š| ||
| 153 | P | 75.2 | Confident | 70.6 | Confident | 101 Ų | 101 | 123.4 Ų | 123.4 | 66% | 0.656 | 64% | 0.641 | S | S | * | * | trans | -65.3 | 144.4 | 179.4 | 28.2 | -35 | 0 | 0 | 0 | 110.2 | N151 R155 | N151-P153 WeakPolarHBondContact O-CD 3.46Å; P153-R155 PolarHBondContact O-N 3.33Å | ||
| 154 | S | 78.9 | Confident | 70 | Confident | 63 Ų | 63 | 123.2 Ų | 123.2 | 44% | 0.441 | 64% | 0.639 | S | S | . | * | trans | -61.5 | 125.4 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | V156 M157 A158 | S154-V156 PolarHBondContact O-N 3.28Å; S154-V156 VanDerWaalsContact O-N 3.13Å; S154-V156 PolarHBondContact OG-N 2.89Å; S154-M157 PolarHBondContact O-N 2.86Å; S154-A158 PolarHBondContact O-N 3.15Å | ||
| 155 | R | 77.9 | Confident | 70.1 | Confident | 219 Ų | 219 | 116.5 Ų | 116.5 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -58.2 | -26 | 174.2 | -69.9 | -174.6 | 176.5 | -171.8 | -2.3 | 112.4 | P153 Q159 | P153-R155 PolarHBondContact O-N 3.33Å; R155-Q159 WeakPolarHBondContact O-CG 3.43Å; R155-Q159 PolarHBondContact O-N 3.36Å |
| 156 | V | 69.8 | Low | 69.4 | Low | 89 Ų | 89 | 117.4 Ų | 117.4 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.5 | -38.5 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | S154 Q159 L160 | S154-V156 PolarHBondContact O-N 3.28Å; S154-V156 VanDerWaalsContact O-N 3.13Å; S154-V156 PolarHBondContact OG-N 2.89Å; V156-Q159 PolarHBondContact O-N 3.41Å; V156-L160 HydrophobicContact CG1-CD1 4.45Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.4Å |
| 157 | M | 73.1 | Confident | 68.2 | Low | 112 Ų | 112 | 121.2 Ų | 121.2 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.7 | -40.2 | 176 | -74.1 | -69.1 | 157.6 | 0 | 0 | 111.5 | S154 Q159 L160 E161 | S154-M157 PolarHBondContact O-N 2.86Å; M157-Q159 VanDerWaalsContact C-N 3.25Å; M157-Q159 PolarHBondContact O-N 3.11Å; M157-L160 PolarHBondContact O-N 3.44Å; M157-L160 VanDerWaalsContact O-N 3.11Å; M157-L160 HydrophobicContact SD-CD1 4.36Å; M157-E161 PolarHBondContact O-N 2.89Å |
| 158 | A | 68.7 | Low | 67 | Low | 50 Ų | 50 | 125.4 Ų | 125.4 | 41% | 0.413 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -61.2 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | S154 V162 | S154-A158 PolarHBondContact O-N 3.15Å; A158-V162 VanDerWaalsContact O-CG2 3.29Å; A158-V162 WeakPolarHBondContact O-CG2 3.5Å; A158-V162 PolarHBondContact O-N 2.9Å |
| 159 | Q | 67.6 | Low | 65.8 | Low | 142 Ų | 142 | 123.8 Ų | 123.8 | 66% | 0.664 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76 | -28.6 | 175.8 | -74.8 | -179.7 | -15.6 | 0 | 0 | 113.3 | R155 V156 M157 S163 | R155-Q159 WeakPolarHBondContact O-CG 3.43Å; R155-Q159 PolarHBondContact O-N 3.36Å; V156-Q159 PolarHBondContact O-N 3.41Å; M157-Q159 VanDerWaalsContact C-N 3.25Å; M157-Q159 PolarHBondContact O-N 3.11Å; Q159-S163 PolarHBondContact O-OG 3.36Å |
| 160 | L | 60.8 | Low | 65.1 | Low | 104 Ų | 104 | 125.3 Ų | 125.3 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -76.1 | -33.6 | 176.5 | -70.2 | 170.6 | 0 | 0 | 0 | 112.4 | V156 M157 | V156-L160 HydrophobicContact CG1-CD1 4.45Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.4Å; M157-L160 PolarHBondContact O-N 3.44Å; M157-L160 VanDerWaalsContact O-N 3.11Å; M157-L160 HydrophobicContact SD-CD1 4.36Å |
| 161 | E | 64.3 | Low | 63.9 | Low | 160 Ų | 160 | 122.8 Ų | 122.8 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.6 | -30.6 | 176.6 | -72.2 | -179.2 | 176.6 | 0 | 0 | 113.1 | M157 S163 | M157-E161 PolarHBondContact O-N 2.89Å; E161-S163 VanDerWaalsContact C-N 3.34Å |
| 162 | V | 59.3 | Low | 63 | Low | 131 Ų | 131 | 124.4 Ų | 124.4 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -82.5 | -9.9 | -177.8 | 175.5 | 0 | 0 | 0 | 0 | 113 | A158 | A158-V162 VanDerWaalsContact O-CG2 3.29Å; A158-V162 WeakPolarHBondContact O-CG2 3.5Å; A158-V162 PolarHBondContact O-N 2.9Å |
| 163 | S | 62.5 | Low | 62.1 | Low | 77 Ų | 77 | 125.9 Ų | 125.9 | 54% | 0.538 | 69% | 0.688 | S | S | . | * | trans | -127.6 | 74.2 | -178.9 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | Q159 E161 P165 | Q159-S163 PolarHBondContact O-OG 3.36Å; E161-S163 VanDerWaalsContact C-N 3.34Å; S163-P165 VanDerWaalsContact C-CD 3.47Å | ||
| 164 | I | 52.6 | Low | 61.2 | Low | 138 Ų | 138 | 129 Ų | 129 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -121.5 | 78.9 | 160.1 | -46.3 | 174.7 | 0 | 0 | 0 | 109.7 | ||||
| 165 | P | 60.4 | Low | 59.9 | Low | 96 Ų | 96 | 134.3 Ų | 134.3 | 62% | 0.623 | 71% | 0.714 | S | S | * | * | trans | -70.2 | 145.3 | 151.9 | 30.5 | -29.6 | 0 | 0 | 0 | 109 | S163 V167 | S163-P165 VanDerWaalsContact C-CD 3.47Å; P165-V167 PolarHBondContact O-N 3.41Å | ||
| 166 | P | 50.6 | Low | 59.1 | Low | 126 Ų | 126 | 134.1 Ų | 134.1 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -61 | 125.4 | -176.4 | 24.4 | -33.1 | 0 | 0 | 0 | 111.1 | K168 | P166-K168 PolarHBondContact O-N 2.89Š| ||
| 167 | V | 49.7 | Very low | 58.2 | Low | 134 Ų | 134 | 133.6 Ų | 133.6 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -64.3 | 110.8 | -178.9 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | P165 | P165-V167 PolarHBondContact O-N 3.41Š| ||
| 168 | K | 50.8 | Low | 56.8 | Low | 188 Ų | 188 | 137.3 Ų | 137.3 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | -75.7 | 133.9 | 155.5 | -73.8 | -178.3 | 178.7 | 177.4 | 0 | 108.2 | P166 Q170 | P166-K168 PolarHBondContact O-N 2.89Å; K168-Q170 VanDerWaalsContact C-N 3.32Å; K168-Q170 PolarHBondContact O-N 3.25Å | ||
| 169 | P | 55.1 | Low | 55.7 | Low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -84.8 | 78.1 | -175.1 | 35.3 | -32.5 | 0 | 0 | 0 | 109.2 | ||
| 170 | Q | 56.1 | Low | 54.5 | Low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -148.6 | 109.2 | 167.2 | -161.7 | 159 | 13.8 | 0 | 0 | 108 | K168 | K168-Q170 VanDerWaalsContact C-N 3.32Å; K168-Q170 PolarHBondContact O-N 3.25Å | ||
| 171 | C | 49.8 | Very low | 53.7 | Low | 91 Ų | 91 | 141.6 Ų | 141.6 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | 152.1 | 61.6 | 155.8 | -77.1 | 0 | 0 | 0 | 0 | 109.6 | F174 | C171-F174 HydrophobicContact CB-CD2 4.18Å; C171-F174 HydrophobicContact CB-CE2 3.49Å; C171-F174 VanDerWaalsContact CB-CE2 3.49Å; C171-F174 HydrophobicContact CB-CZ 4.31Å; C171-F174 WeakPolarHBondContact SG-CE2 3.36Å | ||
| 172 | Q | 57.9 | Low | 52.6 | Low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -70.7 | 143 | 149.6 | -66 | -174.3 | 18.1 | 0 | 0 | 106.8 | ||||
| 173 | T | 62.9 | Low | 51.7 | Low | 132 Ų | 132 | 137.3 Ų | 137.3 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 86 | 61.3 | 177.9 | 61.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 174 | F | 56.6 | Low | 50.6 | Low | 165 Ų | 165 | 138.7 Ų | 138.7 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -130.1 | 94.3 | 147.3 | -49.4 | -66.3 | 0 | 0 | 0 | 108.8 | C171 | C171-F174 HydrophobicContact CB-CD2 4.18Å; C171-F174 HydrophobicContact CB-CE2 3.49Å; C171-F174 VanDerWaalsContact CB-CE2 3.49Å; C171-F174 HydrophobicContact CB-CZ 4.31Å; C171-F174 WeakPolarHBondContact SG-CE2 3.36Å | ||
| 175 | L | 52.6 | Low | 50.2 | Low | 176 Ų | 176 | 136.4 Ų | 136.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 177.3 | 70.7 | 149.9 | -91.8 | -179.1 | 0 | 0 | 0 | 108 | ||||
| 176 | K | 61.2 | Low | 49.7 | Very low | 215 Ų | 215 | 137.6 Ų | 137.6 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -148.6 | 66.5 | 155.3 | -161.2 | 125.3 | -179.3 | 178.2 | 0 | 110 | ||||
| 177 | A | 49.6 | Very low | 50.3 | Low | 77 Ų | 77 | 137.1 Ų | 137.1 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -122.5 | 120.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 178 | H | 44.6 | Very low | 49.7 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | 143.5 | 127.3 | 157.4 | -65.1 | -42.6 | 0 | 0 | 0 | 109.4 | ||||
| 179 | S | 44.6 | Very low | 49.6 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | 87.8 | 88 | -165.2 | -173.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 180 | K | 43.7 | Very low | 48.4 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | -144.1 | 154.5 | 60.8 | -64.6 | -77.1 | -179.5 | 168.2 | 0 | 112.6 | |||||
| 181 | G | 43.3 | Very low | 48.3 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -88.2 | 173.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 182 | G | 40.3 | Very low | 47.7 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 93.8 | 111.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 183 | S | 41.4 | Very low | 46.7 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 68 | 117 | 143.9 | -161.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 184 | S | 38.7 | Very low | 45.4 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 51.6 | 101.1 | 136.8 | -173.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 185 | A | 44.1 | Very low | 44.4 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | 34.6 | 163.9 | 126.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 186 | P | 50.7 | Low | 43.6 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | -134.9 | -152.9 | -62.8 | 46.4 | -27.2 | 0 | 0 | 0 | 112 | |||||
| 187 | P | 62.2 | Low | 42.8 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | -134.8 | 171.1 | -111.8 | 37.9 | -15.6 | 0 | 0 | 0 | 117.9 | |||||
| 188 | R | 36.9 | Very low | 42.2 | Very low | 244 Ų | 244 | 129.2 Ų | 129.2 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | 172.1 | 168.9 | 141.2 | -113.9 | -162.3 | 165.4 | -167.5 | -1.6 | 114.6 | ||||
| 189 | P | 49.5 | Very low | 41.8 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | -133.7 | 162.8 | -115.7 | 41.8 | -21.6 | 0 | 0 | 0 | 118.8 | |||||
| 190 | S | 30.9 | Very low | 41.2 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | 70.5 | 165.6 | 143 | 81.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 191 | P | 53.6 | Low | 41 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | cis | -140.1 | -172.7 | -16 | 25.2 | 0.8 | 0 | 0 | 0 | 115.5 | ||||
| 192 | V | 37.3 | Very low | 40.7 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | 81.5 | 102.7 | 153.6 | -157.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 193 | A | 36.3 | Very low | 41.1 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | 65.8 | 134.1 | 89.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 194 | F | 34.6 | Very low | 41.2 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | cis | -161 | 155 | 38.4 | -89.8 | -83.2 | 0 | 0 | 0 | 111.5 | ||||
| 195 | Q | 36.1 | Very low | 41.6 | Very low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 67.6 | 127.7 | 141 | -67.6 | 176.5 | 49.9 | 0 | 0 | 122.7 | ||||
| 196 | R | 35.5 | Very low | 42 | Very low | 224 Ų | 224 | 130.4 Ų | 130.4 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | -76 | 156 | 162.8 | -143.1 | -172.3 | -167.9 | 157.1 | 3.5 | 109.5 | ||||
| 197 | P | 45.5 | Very low | 42.2 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | -141.9 | 136.8 | 85.1 | 26.7 | -5.5 | 0 | 0 | 0 | 112.9 | |||||
| 198 | A | 35.8 | Very low | 41.9 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 58% | 0.579 | 74% | 0.736 | S | S | * | * | 72.6 | 116.3 | 106 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 199 | S | 36.6 | Very low | 42.4 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | 73.7 | 128.2 | 148.4 | 34.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 200 | S | 31.6 | Very low | 42.8 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | 93.6 | 128.7 | 140.3 | 73 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 201 | S | 40.8 | Very low | 43.9 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | 53.1 | 109.1 | 155.6 | 61.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 202 | S | 37.4 | Very low | 44.1 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | -170.3 | 125.5 | 124.2 | -163.6 | 0 | 0 | 0 | 0 | 109.7 | K204 | S202-K204 PolarHBondContact O-N 2.87Š| |||
| 203 | S | 48.4 | Very low | 45.4 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -46.8 | 100 | 161.1 | 44 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 204 | K | 42.9 | Very low | 47.1 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -137 | 113 | 155 | -67.2 | -170.7 | -178.5 | 178.4 | 0 | 107.8 | S202 L206 | S202-K204 PolarHBondContact O-N 2.87Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.5Å | ||
| 205 | V | 47.8 | Very low | 49 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | trans | -56.4 | 99.9 | 168.1 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | D207 | V205-D207 PolarHBondContact O-N 2.89Š| ||
| 206 | L | 51.8 | Low | 51.3 | Low | 143 Ų | 143 | 118.4 Ų | 118.4 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | trans | -77.4 | 102.7 | 167.3 | -71.5 | 172.3 | 0 | 0 | 0 | 105.8 | K204 L208 | K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.5Å; L206-L208 VanDerWaalsContact C-N 3.26Å; L206-L208 PolarHBondContact O-N 2.89Å | ||
| 207 | D | 54.6 | Low | 53.7 | Low | 103 Ų | 103 | 113.2 Ų | 113.2 | 55% | 0.551 | 66% | 0.664 | S | S | * | * | trans | -61.4 | 95.5 | 164.7 | -115.2 | -7.3 | 0 | 0 | 0 | 107.4 | V205 M209 T214 | V205-D207 PolarHBondContact O-N 2.89Å; D207-M209 VanDerWaalsContact C-N 3.34Å; D207-M209 PolarHBondContact O-N 3.34Å; D207-T214 VanDerWaalsContact OD2-CG2 3.26Å; D207-T214 WeakPolarHBondContact OD2-CG2 3.3Å | ||
| 208 | L | 55.5 | Low | 55.7 | Low | 131 Ų | 131 | 112.9 Ų | 112.9 | 69% | 0.686 | 66% | 0.659 | S | S | * | * | trans | -73.6 | 91.9 | 175.8 | -79 | 157.8 | 0 | 0 | 0 | 107.6 | L206 V210 | L206-L208 VanDerWaalsContact C-N 3.26Å; L206-L208 PolarHBondContact O-N 2.89Å; L208-V210 PolarHBondContact O-N 2.88Å | ||
| 209 | M | 47 | Very low | 58.2 | Low | 133 Ų | 133 | 115.9 Ų | 115.9 | 66% | 0.655 | 66% | 0.659 | S | S | * | * | trans | -62 | 118.8 | 175.4 | -68.1 | 179.9 | 102.1 | 0 | 0 | 110.2 | D207 | D207-M209 VanDerWaalsContact C-N 3.34Å; D207-M209 PolarHBondContact O-N 3.34Å | ||
| 210 | V | 57.8 | Low | 60.7 | Low | 94 Ų | 94 | 116.4 Ų | 116.4 | 57% | 0.57 | 65% | 0.649 | S | S | * | * | B | Isolated β-bridge | trans | -116.3 | 111.6 | 165.4 | 179.5 | 0 | 0 | 0 | 0 | 106.5 | L208 | L208-V210 PolarHBondContact O-N 2.88Å |
| 211 | Q | 56 | Low | 63.5 | Low | 183 Ų | 183 | 116.6 Ų | 116.6 | 86% | 0.855 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.2 | 48.8 | 178.8 | -60.2 | -172 | -6.3 | 0 | 0 | 115.8 | H213 | Q211-H213 PolarHBondContact O-N 3.36Å; Q211-H213 PolarHBondContact O-ND1 2.92Å |
| 212 | G | 57.6 | Low | 65.8 | Low | 58 Ų | 58 | 113.7 Ų | 113.7 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 1.1 | 163 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 213 | H | 62.9 | Low | 68.3 | Low | 144 Ų | 144 | 117.7 Ų | 117.7 | 67% | 0.667 | 62% | 0.624 | S | S | * | * | B | Isolated β-bridge | trans | -123.9 | 132.9 | 174 | -62.3 | 80.1 | 0 | 0 | 0 | 109.8 | Q211 V215 | Q211-H213 PolarHBondContact O-N 3.36Å; Q211-H213 PolarHBondContact O-ND1 2.92Å; H213-V215 PolarHBondContact O-N 3Å; H213-V215 VanDerWaalsContact O-N 3.08Å |
| 214 | T | 73.2 | Confident | 70.2 | Confident | 94 Ų | 94 | 114 Ų | 114 | 58% | 0.577 | 60% | 0.601 | S | S | * | * | trans | -68.6 | 101.4 | 173.7 | 44.6 | 0 | 0 | 0 | 0 | 109.3 | D207 D216 | D207-T214 VanDerWaalsContact OD2-CG2 3.26Å; D207-T214 WeakPolarHBondContact OD2-CG2 3.3Å; T214-D216 PolarHBondContact O-N 2.82Å | ||
| 215 | V | 75.1 | Confident | 72.2 | Confident | 61 Ų | 61 | 108.4 Ų | 108.4 | 37% | 0.37 | 59% | 0.587 | S | S | . | * | trans | -84.9 | 113.2 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 109 | H213 F217 | H213-V215 PolarHBondContact O-N 3Å; H213-V215 VanDerWaalsContact O-N 3.08Å; V215-F217 HydrophobicContact CB-CZ 4.35Å; V215-F217 HydrophobicContact CG1-CD1 4.41Å; V215-F217 HydrophobicContact CG1-CE1 4.31Å; V215-F217 VanDerWaalsContact O-CD2 3.23Å; V215-F217 WeakPolarHBondContact O-CD2 3.36Å; V215-F217 PolarHBondContact O-N 3.28Å | ||
| 216 | D | 84.1 | Confident | 73.9 | Confident | 67 Ų | 67 | 112.7 Ų | 112.7 | 36% | 0.358 | 59% | 0.588 | S | S | . | * | trans | -70.9 | 92.2 | 171.1 | -175.6 | -21.2 | 0 | 0 | 0 | 109.5 | T214 V218 K219 H220 | T214-D216 PolarHBondContact O-N 2.82Å; D216-V218 PolarHBondContact O-N 3.2Å; D216-V218 WeakPolarHBondContact OD1-CB 3.22Å; D216-V218 PolarHBondContact OD1-N 3.21Å; D216-V218 VanDerWaalsContact OD1-N 3.08Å; D216-K219 HydrophobicContact CB-CB 4.23Å; D216-K219 HydrophobicContact CB-CD 4.33Å; D216-K219 HydrophobicContact CB-CG 4.45Å; D216-K219 PolarHBondContact O-N 3.16Å; D216-K219 PolarHBondContact OD1-N 3.22Å; D216-K219 WeakPolarHBondContact OD2-CD 3.44Å; D216-K219 WeakPolarHBondContact OD2-CE 3.45Å; D216-K219 VanDerWaalsContact OD2-CG 3.28Å; D216-K219 WeakPolarHBondContact OD2-CG 3.46Å; D216-K219 IonicContact OD2-NZ 2.67Å; D216-K219 PolarHBondContact OD2-NZ 3.04Å; D216-H220 WeakPolarHBondContact O-CB 3.43Å; D216-H220 PolarHBondContact O-N 3.05Å | ||
| 217 | F | 84.4 | Confident | 75.4 | Confident | 116 Ų | 116 | 114.2 Ų | 114.2 | 51% | 0.509 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.2 | -26.8 | -179.7 | -67.5 | -76.2 | 0 | 0 | 0 | 112.6 | V215 N221 | V215-F217 HydrophobicContact CB-CZ 4.35Å; V215-F217 HydrophobicContact CG1-CD1 4.41Å; V215-F217 HydrophobicContact CG1-CE1 4.31Å; V215-F217 VanDerWaalsContact O-CD2 3.23Å; V215-F217 WeakPolarHBondContact O-CD2 3.36Å; V215-F217 PolarHBondContact O-N 3.28Å; F217-N221 WeakPolarHBondContact O-CB 3.41Å; F217-N221 PolarHBondContact O-N 2.76Å |
| 218 | V | 88 | Confident | 76.7 | Confident | 117 Ų | 117 | 114.1 Ų | 114.1 | 71% | 0.709 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.5 | -48.3 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | D216 A222 | D216-V218 PolarHBondContact O-N 3.2Å; D216-V218 WeakPolarHBondContact OD1-CB 3.22Å; D216-V218 PolarHBondContact OD1-N 3.21Å; D216-V218 VanDerWaalsContact OD1-N 3.08Å; V218-A222 VanDerWaalsContact O-CB 3.27Å; V218-A222 WeakPolarHBondContact O-CB 3.37Å; V218-A222 PolarHBondContact O-N 3.19Å |
| 219 | K | 89.1 | Confident | 77.8 | Confident | 133 Ų | 133 | 113.9 Ų | 113.9 | 58% | 0.578 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.8 | -39.4 | 175.5 | -72.8 | 178.8 | -168.4 | 133.1 | 0 | 112.5 | D216 R223 | D216-K219 HydrophobicContact CB-CB 4.23Å; D216-K219 HydrophobicContact CB-CD 4.33Å; D216-K219 HydrophobicContact CB-CG 4.45Å; D216-K219 PolarHBondContact O-N 3.16Å; D216-K219 PolarHBondContact OD1-N 3.22Å; D216-K219 WeakPolarHBondContact OD2-CD 3.44Å; D216-K219 WeakPolarHBondContact OD2-CE 3.45Å; D216-K219 VanDerWaalsContact OD2-CG 3.28Å; D216-K219 WeakPolarHBondContact OD2-CG 3.46Å; D216-K219 IonicContact OD2-NZ 2.67Å; D216-K219 PolarHBondContact OD2-NZ 3.04Å; K219-R223 WeakPolarHBondContact O-CB 3.16Å; K219-R223 VanDerWaalsContact O-CG 3.31Å; K219-R223 WeakPolarHBondContact O-CG 3.25Å; K219-R223 PolarHBondContact O-N 3.22Å |
| 220 | H | 88.8 | Confident | 79.1 | Confident | 122 Ų | 122 | 115.8 Ų | 115.8 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.7 | -47.1 | 177.6 | -178.4 | 68.6 | 0 | 0 | 0 | 111.5 | D216 R223 A224 | D216-H220 WeakPolarHBondContact O-CB 3.43Å; D216-H220 PolarHBondContact O-N 3.05Å; H220-R223 PolarHBondContact O-N 3.15Å; H220-A224 WeakPolarHBondContact O-CB 3.27Å; H220-A224 PolarHBondContact O-N 2.89Å |
| 221 | N | 89.8 | Confident | 79.8 | Confident | 112 Ų | 112 | 120.9 Ų | 120.9 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.3 | -38.3 | 179.9 | -154.8 | -23.3 | 0 | 0 | 0 | 111.6 | F217 R223 A224 A225 | F217-N221 WeakPolarHBondContact O-CB 3.41Å; F217-N221 PolarHBondContact O-N 2.76Å; N221-R223 VanDerWaalsContact C-N 3.34Å; N221-R223 PolarHBondContact O-N 3.03Å; N221-A224 PolarHBondContact O-N 3.48Å; N221-A225 WeakPolarHBondContact O-CB 3.39Å; N221-A225 PolarHBondContact O-N 3.47Å |
| 222 | A | 90.1 | Very high | 80.6 | Confident | 51 Ų | 51 | 118.2 Ų | 118.2 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.8 | -41.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V218 R226 | V218-A222 VanDerWaalsContact O-CB 3.27Å; V218-A222 WeakPolarHBondContact O-CB 3.37Å; V218-A222 PolarHBondContact O-N 3.19Å; A222-R226 WeakPolarHBondContact O-CG 3.22Å; A222-R226 PolarHBondContact O-N 3.26Å; A222-R226 VanDerWaalsContact O-N 3.14Å |
| 223 | R | 89.6 | Confident | 81.7 | Confident | 181 Ų | 181 | 118.3 Ų | 118.3 | 68% | 0.683 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.8 | -38.1 | 174.6 | -73 | 177 | 178.5 | -161.3 | -0.1 | 112 | K219 H220 N221 K227 | K219-R223 WeakPolarHBondContact O-CB 3.16Å; K219-R223 VanDerWaalsContact O-CG 3.31Å; K219-R223 WeakPolarHBondContact O-CG 3.25Å; K219-R223 PolarHBondContact O-N 3.22Å; H220-R223 PolarHBondContact O-N 3.15Å; N221-R223 VanDerWaalsContact C-N 3.34Å; N221-R223 PolarHBondContact O-N 3.03Å; R223-K227 WeakPolarHBondContact O-CG 3.39Å; R223-K227 PolarHBondContact O-N 3.35Å |
| 224 | A | 87.4 | Confident | 82.1 | Confident | 41 Ų | 41 | 118 Ų | 118 | 34% | 0.339 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.4 | -49.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H220 N221 R226 K227 T228 | H220-A224 WeakPolarHBondContact O-CB 3.27Å; H220-A224 PolarHBondContact O-N 2.89Å; N221-A224 PolarHBondContact O-N 3.48Å; A224-R226 VanDerWaalsContact C-N 3.33Å; A224-R226 PolarHBondContact O-N 3.17Å; A224-K227 PolarHBondContact O-N 2.79Å; A224-T228 VanDerWaalsContact O-CG2 3.31Å; A224-T228 WeakPolarHBondContact O-CG2 3.43Å; A224-T228 PolarHBondContact O-N 3.27Å |
| 225 | A | 85.3 | Confident | 82 | Confident | 54 Ų | 54 | 117 Ų | 117 | 45% | 0.446 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -57.7 | -42.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N221 K227 T228 | N221-A225 WeakPolarHBondContact O-CB 3.39Å; N221-A225 PolarHBondContact O-N 3.47Å; A225-K227 VanDerWaalsContact C-N 3.26Å; A225-K227 PolarHBondContact O-N 2.97Å; A225-T228 PolarHBondContact O-N 3.1Å; A225-T228 PolarHBondContact O-OG1 2.83Å |
| 226 | R | 83.5 | Confident | 81.6 | Confident | 228 Ų | 228 | 117.8 Ų | 117.8 | 86% | 0.86 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -28 | 175.1 | -75 | -178.9 | 178.5 | -136.6 | 1.2 | 113.8 | A222 A224 | A222-R226 WeakPolarHBondContact O-CG 3.22Å; A222-R226 PolarHBondContact O-N 3.26Å; A222-R226 VanDerWaalsContact O-N 3.14Å; A224-R226 VanDerWaalsContact C-N 3.33Å; A224-R226 PolarHBondContact O-N 3.17Å |
| 227 | K | 84.5 | Confident | 80.9 | Confident | 176 Ų | 176 | 117.1 Ų | 117.1 | 77% | 0.765 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -85.8 | -17.5 | 177.4 | -71.1 | 178.9 | 179.6 | -172.7 | 0 | 112.9 | R223 A224 A225 T229 | R223-K227 WeakPolarHBondContact O-CG 3.39Å; R223-K227 PolarHBondContact O-N 3.35Å; A224-K227 PolarHBondContact O-N 2.79Å; A225-K227 VanDerWaalsContact C-N 3.26Å; A225-K227 PolarHBondContact O-N 2.97Å; K227-T229 PolarHBondContact O-N 3.06Å |
| 228 | T | 80.4 | Confident | 80 | Confident | 101 Ų | 101 | 116.1 Ų | 116.1 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | trans | -71.5 | 117.1 | 176.8 | 66.4 | 0 | 0 | 0 | 0 | 110.1 | A224 A225 | A224-T228 VanDerWaalsContact O-CG2 3.31Å; A224-T228 WeakPolarHBondContact O-CG2 3.43Å; A224-T228 PolarHBondContact O-N 3.27Å; A225-T228 PolarHBondContact O-N 3.1Å; A225-T228 PolarHBondContact O-OG1 2.83Å | ||
| 229 | T | 78.6 | Confident | 79 | Confident | 125 Ų | 125 | 115.6 Ų | 115.6 | 77% | 0.767 | 58% | 0.579 | S | S | * | * | trans | -89.1 | 132.4 | 170 | 51.7 | 0 | 0 | 0 | 0 | 109 | K227 R231 | K227-T229 PolarHBondContact O-N 3.06Å; T229-R231 PolarHBondContact O-N 3.49Å | ||
| 230 | L | 75.1 | Confident | 77.8 | Confident | 174 Ų | 174 | 118.4 Ų | 118.4 | 91% | 0.911 | 59% | 0.586 | S | S | * | * | trans | -65.7 | 107.9 | 176.2 | -70.3 | 173.6 | 0 | 0 | 0 | 109 | R232 | L230-R232 PolarHBondContact O-N 3.25Å; L230-R232 VanDerWaalsContact O-N 3.15Å | ||
| 231 | R | 72.6 | Confident | 77 | Confident | 200 Ų | 200 | 118.1 Ų | 118.1 | 76% | 0.755 | 59% | 0.588 | S | S | * | * | trans | -72.9 | 107 | 176.9 | -123.1 | -72.8 | 166.8 | 177.7 | -3.3 | 108.9 | T229 | T229-R231 PolarHBondContact O-N 3.49Š| ||
| 232 | R | 73.1 | Confident | 75.9 | Confident | 128 Ų | 128 | 120.6 Ų | 120.6 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | trans | -61.4 | 138.4 | 170.9 | -162.2 | 175.4 | -169.9 | -140.9 | 0.7 | 109.4 | L230 Q234 L236 | L230-R232 PolarHBondContact O-N 3.25Å; L230-R232 VanDerWaalsContact O-N 3.15Å; R232-Q234 PolarHBondContact O-N 3.2Å; R232-L236 HydrophobicContact CG-CB 4.5Å | ||
| 233 | S | 79.3 | Confident | 74.7 | Confident | 59 Ų | 59 | 123.4 Ų | 123.4 | 41% | 0.413 | 61% | 0.608 | S | S | . | * | trans | -59.5 | 136.2 | 178.7 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | S235 L236 | S233-S235 PolarHBondContact O-N 2.99Å; S233-S235 VanDerWaalsContact O-N 3.16Å; S233-S235 PolarHBondContact OG-OG 2.91Å; S233-L236 PolarHBondContact O-N 2.97Å; S233-L236 VanDerWaalsContact O-N 3.15Å | ||
| 234 | Q | 71.6 | Confident | 73.5 | Confident | 138 Ų | 138 | 120.1 Ų | 120.1 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59 | -29.1 | -178.5 | -69.3 | -177.6 | -3.3 | 0 | 0 | 112.2 | R232 L236 T237 N238 | R232-Q234 PolarHBondContact O-N 3.2Å; Q234-L236 PolarHBondContact O-N 3.02Å; Q234-T237 PolarHBondContact O-N 3.05Å; Q234-N238 WeakPolarHBondContact O-CB 3.42Å; Q234-N238 PolarHBondContact O-N 3.09Å; Q234-N238 PolarHBondContact O-ND2 2.85Å |
| 235 | S | 71.8 | Confident | 72.4 | Confident | 73 Ų | 73 | 124 Ų | 124 | 51% | 0.51 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -59.9 | -38.5 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | S233 L239 | S233-S235 PolarHBondContact O-N 2.99Å; S233-S235 VanDerWaalsContact O-N 3.16Å; S233-S235 PolarHBondContact OG-OG 2.91Å; S235-L239 PolarHBondContact O-N 3.01Å |
| 236 | L | 67.3 | Low | 71.6 | Confident | 77 Ų | 77 | 126 Ų | 126 | 40% | 0.403 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76.8 | -25.3 | 177.5 | -75.5 | -175 | 0 | 0 | 0 | 113.3 | R232 S233 Q234 L239 | R232-L236 HydrophobicContact CG-CB 4.5Å; S233-L236 PolarHBondContact O-N 2.97Å; S233-L236 VanDerWaalsContact O-N 3.15Å; Q234-L236 PolarHBondContact O-N 3.02Å; L236-L239 HydrophobicContact CD2-CD1 4.33Å |
| 237 | T | 68.1 | Low | 71.1 | Confident | 53 Ų | 53 | 119.1 Ų | 119.1 | 33% | 0.325 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.9 | -44.9 | 172.2 | -43.8 | 0 | 0 | 0 | 0 | 110 | Q234 L239 R240 D241 | Q234-T237 PolarHBondContact O-N 3.05Å; T237-L239 VanDerWaalsContact C-N 3.29Å; T237-L239 PolarHBondContact O-N 2.8Å; T237-R240 PolarHBondContact O-N 2.94Å; T237-D241 PolarHBondContact O-N 3.39Å |
| 238 | N | 67.1 | Low | 70.8 | Confident | 96 Ų | 96 | 115.2 Ų | 115.2 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -60.3 | -33.4 | 178.3 | -69.4 | -32.2 | 0 | 0 | 0 | 113.7 | Q234 R240 K242 | Q234-N238 WeakPolarHBondContact O-CB 3.42Å; Q234-N238 PolarHBondContact O-N 3.09Å; Q234-N238 PolarHBondContact O-ND2 2.85Å; N238-R240 VanDerWaalsContact C-N 3.33Å; N238-K242 PolarHBondContact O-N 2.92Å; N238-K242 VanDerWaalsContact O-N 3.15Å |
| 239 | L | 65.1 | Low | 70.9 | Confident | 105 Ų | 105 | 120 Ų | 120 | 55% | 0.55 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.8 | -26.5 | 174.5 | -85.5 | 157.9 | 0 | 0 | 0 | 113.6 | S235 L236 T237 V244 | S235-L239 PolarHBondContact O-N 3.01Å; L236-L239 HydrophobicContact CD2-CD1 4.33Å; T237-L239 VanDerWaalsContact C-N 3.29Å; T237-L239 PolarHBondContact O-N 2.8Å; L239-V244 HydrophobicContact CD2-CG2 4.44Å |
| 240 | R | 65.4 | Low | 71.2 | Confident | 193 Ų | 193 | 118.1 Ų | 118.1 | 73% | 0.728 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -80 | -37 | 175.7 | -77.6 | -149.4 | 172.7 | -165.7 | -0.3 | 112.2 | T237 N238 | T237-R240 PolarHBondContact O-N 2.94Å; N238-R240 VanDerWaalsContact C-N 3.33Å |
| 241 | D | 70.5 | Confident | 71.7 | Confident | 116 Ų | 116 | 116.7 Ų | 116.7 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.2 | -21.4 | -176.3 | -59 | -29 | 0 | 0 | 0 | 112.6 | T237 | T237-D241 PolarHBondContact O-N 3.39Å |
| 242 | K | 67.7 | Low | 72.5 | Confident | 164 Ų | 164 | 110.3 Ų | 110.3 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -132 | 93.9 | 177.4 | -63.9 | -178 | -175.9 | -177.8 | 0 | 110.1 | N238 V244 | N238-K242 PolarHBondContact O-N 2.92Å; N238-K242 VanDerWaalsContact O-N 3.15Å; K242-V244 PolarHBondContact O-N 3.42Å |
| 243 | P | 64.8 | Low | 73.4 | Confident | 110 Ų | 110 | 107.1 Ų | 107.1 | 71% | 0.714 | 61% | 0.608 | S | S | * | * | trans | -58.4 | 125.7 | 167.9 | 23.1 | -29.6 | 0 | 0 | 0 | 108.1 | ||||
| 244 | V | 64.2 | Low | 73.9 | Confident | 111 Ų | 111 | 111.4 Ų | 111.4 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | trans | -52.8 | 129.8 | 172 | 179 | 0 | 0 | 0 | 0 | 106.7 | L239 K242 S246 | L239-V244 HydrophobicContact CD2-CG2 4.44Å; K242-V244 PolarHBondContact O-N 3.42Å; V244-S246 VanDerWaalsContact C-N 3.28Å; V244-S246 PolarHBondContact O-N 3.39Å | ||
| 245 | P | 65.4 | Low | 75 | Confident | 122 Ų | 122 | 111.8 Ų | 111.8 | 79% | 0.792 | 62% | 0.618 | S | S | * | * | trans | -62.4 | 97.3 | 179.3 | 24 | -31 | 0 | 0 | 0 | 107.8 | A247 | P245-A247 PolarHBondContact O-N 2.96Š| ||
| 246 | S | 68.3 | Low | 76.1 | Confident | 98 Ų | 98 | 111.6 Ų | 111.6 | 69% | 0.685 | 61% | 0.611 | S | S | * | * | trans | -61.5 | 112.3 | 169 | 169.7 | 0 | 0 | 0 | 0 | 105.2 | V244 V248 | V244-S246 VanDerWaalsContact C-N 3.28Å; V244-S246 PolarHBondContact O-N 3.39Å; S246-V248 PolarHBondContact O-N 3.42Å; S246-V248 VanDerWaalsContact O-N 3.11Å | ||
| 247 | A | 72.1 | Confident | 77.4 | Confident | 82 Ų | 82 | 112.3 Ų | 112.3 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | trans | -44.8 | 124.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | P245 K249 | P245-A247 PolarHBondContact O-N 2.96Å; A247-K249 PolarHBondContact O-N 2.85Å | ||
| 248 | V | 77.6 | Confident | 78.8 | Confident | 95 Ų | 95 | 114.9 Ų | 114.9 | 58% | 0.576 | 62% | 0.621 | S | S | * | * | trans | -60.2 | 112.5 | -177.1 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | S246 G250 Q251 | S246-V248 PolarHBondContact O-N 3.42Å; S246-V248 VanDerWaalsContact O-N 3.11Å; V248-G250 PolarHBondContact O-N 3.32Å; V248-Q251 HydrophobicContact CB-CB 4.44Å; V248-Q251 HydrophobicContact CB-CG 4.3Å; V248-Q251 HydrophobicContact CG1-CG 4.13Å; V248-Q251 PolarHBondContact O-N 2.99Å; V248-Q251 VanDerWaalsContact O-N 3.08Å | ||
| 249 | K | 82.3 | Confident | 80.2 | Confident | 200 Ų | 200 | 116.4 Ų | 116.4 | 87% | 0.87 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 130.4 | -179.2 | -72 | -178.8 | 179.3 | 179.4 | 0 | 108.7 | A247 | A247-K249 PolarHBondContact O-N 2.85Š|
| 250 | G | 84.9 | Confident | 81.7 | Confident | 87 Ų | 87 | 117 Ų | 117 | 90% | 0.897 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.1 | -10.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | V248 | V248-G250 PolarHBondContact O-N 3.32Š|
| 251 | Q | 87.6 | Confident | 83.2 | Confident | 144 Ų | 144 | 113.6 Ų | 113.6 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 139.4 | 169.9 | -71.4 | -165.1 | -5.3 | 0 | 0 | 111.8 | V248 P253 | V248-Q251 HydrophobicContact CB-CB 4.44Å; V248-Q251 HydrophobicContact CB-CG 4.3Å; V248-Q251 HydrophobicContact CG1-CG 4.13Å; V248-Q251 PolarHBondContact O-N 2.99Å; V248-Q251 VanDerWaalsContact O-N 3.08Å; Q251-P253 WeakPolarHBondContact O-CD 3.5Å |
| 252 | V | 88.8 | Confident | 84.5 | Confident | 66 Ų | 66 | 112.8 Ų | 112.8 | 40% | 0.4 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 127.2 | 174.5 | 176.3 | 0 | 0 | 0 | 0 | 108.1 | L256 E257 | V252-L256 HydrophobicContact CG1-CB 3.64Å; V252-L256 HydrophobicContact CG1-CD1 4.08Å; V252-L256 HydrophobicContact CG1-CG 4.47Å; V252-E257 HydrophobicContact CB-CG 4.42Å; V252-E257 HydrophobicContact CG1-CG 3.99Å |
| 253 | P | 92.1 | Very high | 85.8 | Confident | 60 Ų | 60 | 112.7 Ų | 112.7 | 39% | 0.39 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 139.8 | 173.8 | -30.1 | 35.7 | 0 | 0 | 0 | 113 | Q251 Y255 L256 | Q251-P253 WeakPolarHBondContact O-CD 3.5Å; P253-Y255 HydrophobicContact CB-CD1 3.46Å; P253-Y255 VanDerWaalsContact CB-CD1 3.46Å; P253-Y255 HydrophobicContact CB-CE1 3.25Å; P253-Y255 HydrophobicContact CG-CE1 3.9Å; P253-Y255 PolarHBondContact O-N 3.26Å; P253-Y255 VanDerWaalsContact O-N 3.09Å; P253-L256 WeakPolarHBondContact O-CB 3.29Å; P253-L256 PolarHBondContact O-N 2.88Å |
| 254 | Q | 90.1 | Very high | 87.3 | Confident | 150 Ų | 150 | 113.6 Ų | 113.6 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -50 | -40.8 | -176.7 | -70.6 | 176.7 | -13 | 0 | 0 | 113.3 | L256 E257 E258 | Q254-L256 PolarHBondContact O-N 3.49Å; Q254-E257 WeakPolarHBondContact O-CB 3.43Å; Q254-E257 PolarHBondContact O-N 3.47Å; Q254-E258 WeakPolarHBondContact O-CG 3.34Å; Q254-E258 PolarHBondContact O-N 2.93Å |
| 255 | Y | 94 | Very high | 88.8 | Confident | 146 Ų | 146 | 115 Ų | 115 | 57% | 0.573 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.3 | -29.5 | -179.7 | 77.4 | -93 | 0 | 0 | 0 | 113.4 | P253 R259 | P253-Y255 HydrophobicContact CB-CD1 3.46Å; P253-Y255 VanDerWaalsContact CB-CD1 3.46Å; P253-Y255 HydrophobicContact CB-CE1 3.25Å; P253-Y255 HydrophobicContact CG-CE1 3.9Å; P253-Y255 PolarHBondContact O-N 3.26Å; P253-Y255 VanDerWaalsContact O-N 3.09Å; Y255-R259 VanDerWaalsContact O-CB 3.27Å; Y255-R259 WeakPolarHBondContact O-CB 3.49Å; Y255-R259 PolarHBondContact O-N 3.24Å |
| 256 | L | 95.5 | Very high | 90.1 | Very high | 68 Ų | 68 | 113.8 Ų | 113.8 | 36% | 0.356 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -76 | -35 | 176.2 | -68.7 | 178.9 | 0 | 0 | 0 | 111.3 | V252 P253 Q254 R259 K260 | V252-L256 HydrophobicContact CG1-CB 3.64Å; V252-L256 HydrophobicContact CG1-CD1 4.08Å; V252-L256 HydrophobicContact CG1-CG 4.47Å; P253-L256 WeakPolarHBondContact O-CB 3.29Å; P253-L256 PolarHBondContact O-N 2.88Å; Q254-L256 PolarHBondContact O-N 3.49Å; L256-R259 PolarHBondContact O-N 3.25Å; L256-K260 WeakPolarHBondContact O-CG 3.35Å; L256-K260 PolarHBondContact O-N 2.96Å |
| 257 | E | 94.4 | Very high | 91.2 | Very high | 93 Ų | 93 | 113.1 Ų | 113.1 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.8 | -44.9 | 174 | -57.7 | -173.4 | 162.9 | 0 | 0 | 110.9 | V252 Q254 R259 K260 K261 | V252-E257 HydrophobicContact CB-CG 4.42Å; V252-E257 HydrophobicContact CG1-CG 3.99Å; Q254-E257 WeakPolarHBondContact O-CB 3.43Å; Q254-E257 PolarHBondContact O-N 3.47Å; E257-R259 VanDerWaalsContact C-N 3.31Å; E257-R259 PolarHBondContact O-N 3.23Å; E257-K260 PolarHBondContact O-N 2.94Å; E257-K261 WeakPolarHBondContact O-CG 3.35Å; E257-K261 PolarHBondContact O-N 3.45Å |
| 258 | E | 96.1 | Very high | 92.2 | Very high | 107 Ų | 107 | 114 Ų | 114 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 173.5 | -70.5 | 172.6 | -176.9 | 0 | 0 | 111.4 | Q254 K260 K261 Q262 | Q254-E258 WeakPolarHBondContact O-CG 3.34Å; Q254-E258 PolarHBondContact O-N 2.93Å; E258-K260 PolarHBondContact O-N 2.81Å; E258-K261 WeakPolarHBondContact O-CB 3.42Å; E258-K261 PolarHBondContact O-N 3.44Å; E258-Q262 WeakPolarHBondContact O-CG 3.18Å; E258-Q262 PolarHBondContact O-N 3.17Å |
| 259 | R | 97.9 | Very high | 92.8 | Very high | 127 Ų | 127 | 115 Ų | 115 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.7 | -176.6 | 120.8 | -70.7 | 171.3 | -3.2 | 112.4 | Y255 L256 E257 K261 Q262 W263 | Y255-R259 VanDerWaalsContact O-CB 3.27Å; Y255-R259 WeakPolarHBondContact O-CB 3.49Å; Y255-R259 PolarHBondContact O-N 3.24Å; L256-R259 PolarHBondContact O-N 3.25Å; E257-R259 VanDerWaalsContact C-N 3.31Å; E257-R259 PolarHBondContact O-N 3.23Å; R259-K261 VanDerWaalsContact C-N 3.33Å; R259-K261 PolarHBondContact O-N 3.18Å; R259-Q262 VanDerWaalsContact NH2-OE1 3.16Å; R259-Q262 WeakPolarHBondContact O-CB 3.49Å; R259-Q262 PolarHBondContact O-N 2.87Å; R259-W263 HydrophobicContact CG-CD2 4.3Å; R259-W263 HydrophobicContact CG-CH2 4.27Å; R259-W263 HydrophobicContact CG-CZ2 4.04Å; R259-W263 HydrophobicContact CG-CZ3 4.5Å; R259-W263 PolarHBondContact O-N 3.46Å |
| 260 | K | 96.9 | Very high | 93.1 | Very high | 118 Ų | 118 | 111.9 Ų | 111.9 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.3 | -74.6 | 176.4 | -179.7 | -178.4 | 0 | 111.5 | L256 E257 E258 Q262 W263 Q264 | L256-K260 WeakPolarHBondContact O-CG 3.35Å; L256-K260 PolarHBondContact O-N 2.96Å; E257-K260 PolarHBondContact O-N 2.94Å; E258-K260 PolarHBondContact O-N 2.81Å; K260-Q262 VanDerWaalsContact C-N 3.33Å; K260-Q262 PolarHBondContact O-N 3.45Å; K260-W263 PolarHBondContact O-N 2.83Å; K260-Q264 WeakPolarHBondContact O-CG 3.22Å; K260-Q264 PolarHBondContact O-N 3.24Å |
| 261 | K | 96.8 | Very high | 93 | Very high | 121 Ų | 121 | 114.4 Ų | 114.4 | 53% | 0.526 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 175.4 | -69.1 | 171.8 | -176.7 | 173.1 | 0 | 111.6 | E257 E258 R259 Q264 K265 | E257-K261 WeakPolarHBondContact O-CG 3.35Å; E257-K261 PolarHBondContact O-N 3.45Å; E258-K261 WeakPolarHBondContact O-CB 3.42Å; E258-K261 PolarHBondContact O-N 3.44Å; R259-K261 VanDerWaalsContact C-N 3.33Å; R259-K261 PolarHBondContact O-N 3.18Å; K261-Q264 PolarHBondContact O-N 3.46Å; K261-K265 WeakPolarHBondContact O-CG 3.38Å; K261-K265 PolarHBondContact O-N 3.29Å |
| 262 | Q | 96.8 | Very high | 92.7 | Very high | 99 Ų | 99 | 116.2 Ų | 116.2 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 174.4 | -73.9 | 171.3 | -4.7 | 0 | 0 | 111.2 | E258 R259 K260 Q264 K265 E266 | E258-Q262 WeakPolarHBondContact O-CG 3.18Å; E258-Q262 PolarHBondContact O-N 3.17Å; R259-Q262 VanDerWaalsContact NH2-OE1 3.16Å; R259-Q262 WeakPolarHBondContact O-CB 3.49Å; R259-Q262 PolarHBondContact O-N 2.87Å; K260-Q262 VanDerWaalsContact C-N 3.33Å; K260-Q262 PolarHBondContact O-N 3.45Å; Q262-Q264 VanDerWaalsContact C-N 3.33Å; Q262-Q264 PolarHBondContact O-N 3.02Å; Q262-K265 PolarHBondContact O-N 2.84Å; Q262-E266 WeakPolarHBondContact O-CB 3.32Å; Q262-E266 PolarHBondContact O-N 3.44Å |
| 263 | W | 96.1 | Very high | 92.3 | Very high | 162 Ų | 162 | 119.4 Ų | 119.4 | 61% | 0.614 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -38.8 | 177.7 | -72.4 | -26 | 0 | 0 | 0 | 113.3 | R259 K260 E266 E267 | R259-W263 HydrophobicContact CG-CD2 4.3Å; R259-W263 HydrophobicContact CG-CH2 4.27Å; R259-W263 HydrophobicContact CG-CZ2 4.04Å; R259-W263 HydrophobicContact CG-CZ3 4.5Å; R259-W263 PolarHBondContact O-N 3.46Å; K260-W263 PolarHBondContact O-N 2.83Å; W263-E266 PolarHBondContact O-N 3.49Å; W263-E267 VanDerWaalsContact O-CB 3.29Å; W263-E267 WeakPolarHBondContact O-CB 3.42Å; W263-E267 PolarHBondContact O-N 2.87Å |
| 264 | Q | 95.8 | Very high | 91.7 | Very high | 130 Ų | 130 | 119 Ų | 119 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 175.5 | -75.2 | 175.2 | -14.8 | 0 | 0 | 111.7 | K260 K261 Q262 E267 E268 | K260-Q264 WeakPolarHBondContact O-CG 3.22Å; K260-Q264 PolarHBondContact O-N 3.24Å; K261-Q264 PolarHBondContact O-N 3.46Å; Q262-Q264 VanDerWaalsContact C-N 3.33Å; Q262-Q264 PolarHBondContact O-N 3.02Å; Q264-E267 PolarHBondContact O-N 2.68Å; Q264-E268 WeakPolarHBondContact O-CB 3.44Å; Q264-E268 PolarHBondContact O-N 3.38Å |
| 265 | K | 95.3 | Very high | 90.9 | Very high | 139 Ų | 139 | 117.2 Ų | 117.2 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 175.8 | -72.7 | 179.2 | 179.1 | -172.1 | 0 | 111.7 | K261 Q262 E267 E268 E269 | K261-K265 WeakPolarHBondContact O-CG 3.38Å; K261-K265 PolarHBondContact O-N 3.29Å; Q262-K265 PolarHBondContact O-N 2.84Å; K265-E267 VanDerWaalsContact C-N 3.34Å; K265-E267 PolarHBondContact O-N 3.07Å; K265-E268 PolarHBondContact O-N 3.23Å; K265-E269 WeakPolarHBondContact O-CG 3.48Å; K265-E269 PolarHBondContact O-N 3.13Å |
| 266 | E | 93.8 | Very high | 89.9 | Confident | 98 Ų | 98 | 114.6 Ų | 114.6 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 179.4 | -165.8 | -162.5 | 138 | 0 | 0 | 111.8 | Q262 W263 E269 R270 | Q262-E266 WeakPolarHBondContact O-CB 3.32Å; Q262-E266 PolarHBondContact O-N 3.44Å; W263-E266 PolarHBondContact O-N 3.49Å; E266-E269 PolarHBondContact O-N 3.32Å; E266-R270 WeakPolarHBondContact O-CB 3.43Å; E266-R270 PolarHBondContact O-N 3.38Å; E266-R270 IonicContact OE1-NH2 2.76Å; E266-R270 PolarHBondContact OE1-NH2 3.32Å |
| 267 | E | 91.6 | Very high | 88.9 | Confident | 84 Ų | 84 | 117.7 Ų | 117.7 | 39% | 0.393 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.8 | -36.5 | 175.7 | -169.6 | -179.1 | 167.2 | 0 | 0 | 111.9 | W263 Q264 K265 R270 K271 | W263-E267 VanDerWaalsContact O-CB 3.29Å; W263-E267 WeakPolarHBondContact O-CB 3.42Å; W263-E267 PolarHBondContact O-N 2.87Å; Q264-E267 PolarHBondContact O-N 2.68Å; K265-E267 VanDerWaalsContact C-N 3.34Å; K265-E267 PolarHBondContact O-N 3.07Å; E267-R270 PolarHBondContact O-N 3.11Å; E267-K271 HydrophobicContact CG-CD 4.5Å; E267-K271 WeakPolarHBondContact O-CB 3.4Å; E267-K271 VanDerWaalsContact O-CG 3.32Å; E267-K271 WeakPolarHBondContact O-CG 3.14Å; E267-K271 PolarHBondContact O-N 3.38Å; E267-K271 WeakPolarHBondContact OE1-CE 3.27Å; E267-K271 IonicContact OE1-NZ 3.2Å; E267-K271 PolarHBondContact OE1-NZ 3.14Å |
| 268 | E | 92.1 | Very high | 88.1 | Confident | 99 Ų | 99 | 122.7 Ų | 122.7 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.3 | -46.4 | 173.8 | -168.5 | -177.6 | 171.2 | 0 | 0 | 111.4 | Q264 K265 R270 K271 R272 | Q264-E268 WeakPolarHBondContact O-CB 3.44Å; Q264-E268 PolarHBondContact O-N 3.38Å; K265-E268 PolarHBondContact O-N 3.23Å; E268-R270 VanDerWaalsContact C-N 3.31Å; E268-R270 PolarHBondContact O-N 2.97Å; E268-K271 PolarHBondContact O-N 2.94Å; E268-R272 VanDerWaalsContact O-CG 3.3Å; E268-R272 WeakPolarHBondContact O-CG 3.3Å; E268-R272 PolarHBondContact O-N 3.26Å; E268-R272 IonicContact OE1-CZ 3.78Å; E268-R272 IonicContact OE1-NE 3.23Å; E268-R272 PolarHBondContact OE1-NE 3.18Å; E268-R272 IonicContact OE1-NH2 3.37Å; E268-R272 PolarHBondContact OE1-NH2 2.97Å |
| 269 | E | 90.3 | Very high | 87.5 | Confident | 117 Ų | 117 | 119.6 Ų | 119.6 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.7 | -42.6 | 173.4 | -74.6 | 176.8 | -176.7 | 0 | 0 | 111.3 | K265 E266 K271 R272 N273 | K265-E269 WeakPolarHBondContact O-CG 3.48Å; K265-E269 PolarHBondContact O-N 3.13Å; E266-E269 PolarHBondContact O-N 3.32Å; E269-K271 VanDerWaalsContact C-N 3.34Å; E269-K271 PolarHBondContact O-N 2.97Å; E269-R272 PolarHBondContact O-N 3.48Å; E269-N273 VanDerWaalsContact O-CB 3.28Å; E269-N273 WeakPolarHBondContact O-CB 3.43Å; E269-N273 PolarHBondContact O-N 2.91Å; E269-N273 PolarHBondContact O-ND2 3.4Å |
| 270 | R | 88.2 | Confident | 87 | Confident | 134 Ų | 134 | 116.1 Ų | 116.1 | 51% | 0.506 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.5 | -39.9 | 175.1 | -166.9 | -170 | -50.8 | 121.8 | 5.6 | 111.8 | E266 E267 E268 A274 | E266-R270 WeakPolarHBondContact O-CB 3.43Å; E266-R270 PolarHBondContact O-N 3.38Å; E266-R270 IonicContact OE1-NH2 2.76Å; E266-R270 PolarHBondContact OE1-NH2 3.32Å; E267-R270 PolarHBondContact O-N 3.11Å; E268-R270 VanDerWaalsContact C-N 3.31Å; E268-R270 PolarHBondContact O-N 2.97Å; R270-A274 WeakPolarHBondContact O-CA 3.33Å; R270-A274 WeakPolarHBondContact O-CB 3.47Å; R270-A274 PolarHBondContact O-N 3.1Å |
| 271 | K | 82.5 | Confident | 86.4 | Confident | 140 Ų | 140 | 116.4 Ų | 116.4 | 61% | 0.609 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.4 | -38 | 175.9 | -78.2 | 173.8 | -175.2 | 162.1 | 0 | 112.2 | E267 E268 E269 A274 | E267-K271 HydrophobicContact CG-CD 4.5Å; E267-K271 WeakPolarHBondContact O-CB 3.4Å; E267-K271 VanDerWaalsContact O-CG 3.32Å; E267-K271 WeakPolarHBondContact O-CG 3.14Å; E267-K271 PolarHBondContact O-N 3.38Å; E267-K271 WeakPolarHBondContact OE1-CE 3.27Å; E267-K271 IonicContact OE1-NZ 3.2Å; E267-K271 PolarHBondContact OE1-NZ 3.14Å; E268-K271 PolarHBondContact O-N 2.94Å; E269-K271 VanDerWaalsContact C-N 3.34Å; E269-K271 PolarHBondContact O-N 2.97Å; K271-A274 PolarHBondContact O-N 3.48Å |
| 272 | R | 82.8 | Confident | 85.9 | Confident | 183 Ų | 183 | 113.3 Ų | 113.3 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.9 | -40.7 | 174.8 | -72 | 174.9 | -176.2 | -159.4 | 2.6 | 111.9 | E268 E269 | E268-R272 VanDerWaalsContact O-CG 3.3Å; E268-R272 WeakPolarHBondContact O-CG 3.3Å; E268-R272 PolarHBondContact O-N 3.26Å; E268-R272 IonicContact OE1-CZ 3.78Å; E268-R272 IonicContact OE1-NE 3.23Å; E268-R272 PolarHBondContact OE1-NE 3.18Å; E268-R272 IonicContact OE1-NH2 3.37Å; E268-R272 PolarHBondContact OE1-NH2 2.97Å; E269-R272 PolarHBondContact O-N 3.48Å |
| 273 | N | 79.8 | Confident | 85.6 | Confident | 133 Ų | 133 | 111.9 Ų | 111.9 | 71% | 0.711 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -84.4 | -14.6 | 179.6 | -65.6 | -22.6 | 0 | 0 | 0 | 113 | E269 P275 | E269-N273 VanDerWaalsContact O-CB 3.28Å; E269-N273 WeakPolarHBondContact O-CB 3.43Å; E269-N273 PolarHBondContact O-N 2.91Å; E269-N273 PolarHBondContact O-ND2 3.4Å; N273-P275 WeakPolarHBondContact O-CD 3.34Å |
| 274 | A | 78.4 | Confident | 85.3 | Confident | 52 Ų | 52 | 110 Ų | 110 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -64.2 | 119.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108 | R270 K271 D276 | R270-A274 WeakPolarHBondContact O-CA 3.33Å; R270-A274 WeakPolarHBondContact O-CB 3.47Å; R270-A274 PolarHBondContact O-N 3.1Å; K271-A274 PolarHBondContact O-N 3.48Å; A274-D276 PolarHBondContact O-N 3.27Å |
| 275 | P | 73.8 | Confident | 85.1 | Confident | 112 Ų | 112 | 108.2 Ų | 108.2 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 137.5 | 175 | 25.8 | -32.8 | 0 | 0 | 0 | 108.7 | N273 | N273-P275 WeakPolarHBondContact O-CD 3.34Š|
| 276 | D | 72.6 | Confident | 84.9 | Confident | 91 Ų | 91 | 102.9 Ų | 102.9 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 127.2 | -179.1 | -102.2 | -11.2 | 0 | 0 | 0 | 109.7 | A274 R278 V279 | A274-D276 PolarHBondContact O-N 3.27Å; D276-R278 PolarHBondContact O-N 2.86Å; D276-V279 HydrophobicContact CB-CG2 3.64Å; D276-V279 WeakPolarHBondContact O-CB 3.28Å; D276-V279 PolarHBondContact O-N 3.29Å |
| 277 | P | 75.3 | Confident | 85 | Confident | 132 Ų | 132 | 101.2 Ų | 101.2 | 86% | 0.857 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.7 | -176.4 | 26 | -35 | 0 | 0 | 0 | 113.4 | ||
| 278 | R | 77.7 | Confident | 85.2 | Confident | 199 Ų | 199 | 101.4 Ų | 101.4 | 75% | 0.751 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -19.3 | 173.8 | -69.5 | -172.6 | 178.5 | -134.6 | 1.9 | 113.2 | D276 P280 | D276-R278 PolarHBondContact O-N 2.86Å; R278-P280 WeakPolarHBondContact O-CD 3.47Å |
| 279 | V | 83 | Confident | 85.3 | Confident | 42 Ų | 42 | 98.6 Ų | 98.6 | 26% | 0.255 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -78.7 | 119.3 | -177.8 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | D276 H283 Y348 | D276-V279 HydrophobicContact CB-CG2 3.64Å; D276-V279 WeakPolarHBondContact O-CB 3.28Å; D276-V279 PolarHBondContact O-N 3.29Å; V279-H283 VanDerWaalsContact CG1-O 3.28Å; V279-H283 WeakPolarHBondContact CG1-O 3.28Å; V279-Y348 HydrophobicContact CB-CE1 4.35Å; V279-Y348 HydrophobicContact CG1-CD1 4.18Å; V279-Y348 HydrophobicContact CG1-CE1 4.3Å; V279-Y348 HydrophobicContact CG2-CD1 4.41Å; V279-Y348 HydrophobicContact CG2-CE1 3.71Å |
| 280 | P | 87 | Confident | 85.6 | Confident | 53 Ų | 53 | 97.9 Ų | 97.9 | 34% | 0.344 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 143.8 | 175.1 | -22.2 | 34.5 | 0 | 0 | 0 | 111.1 | R278 G282 H283 | R278-P280 WeakPolarHBondContact O-CD 3.47Å; P280-G282 PolarHBondContact O-N 3.48Å; P280-H283 HydrophobicContact CB-CB 4.32Å; P280-H283 WeakPolarHBondContact O-CB 3.29Å; P280-H283 PolarHBondContact O-N 3.22Å; P280-H283 VanDerWaalsContact O-N 3.14Å |
| 281 | P | 85.4 | Confident | 86 | Confident | 125 Ų | 125 | 92.6 Ų | 92.6 | 81% | 0.812 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 139.8 | 175.5 | -24.4 | 33.2 | 0 | 0 | 0 | 112 | H283 | P281-H283 PolarHBondContact O-N 3.29Å; P281-H283 PolarHBondContact O-ND1 3Å |
| 282 | G | 86.8 | Confident | 86.6 | Confident | 55 Ų | 55 | 90.3 Ų | 90.3 | 57% | 0.567 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 10.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P280 V351 | P280-G282 PolarHBondContact O-N 3.48Å; G282-V351 PolarHBondContact O-N 2.93Å |
| 283 | H | 89.9 | Confident | 87.3 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 32% | 0.324 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 150.4 | 174.2 | -61.9 | 63.7 | 0 | 0 | 0 | 110.4 | V279 P280 P281 V349 | V279-H283 VanDerWaalsContact CG1-O 3.28Å; V279-H283 WeakPolarHBondContact CG1-O 3.28Å; P280-H283 HydrophobicContact CB-CB 4.32Å; P280-H283 WeakPolarHBondContact O-CB 3.29Å; P280-H283 PolarHBondContact O-N 3.22Å; P280-H283 VanDerWaalsContact O-N 3.14Å; P281-H283 PolarHBondContact O-N 3.29Å; P281-H283 PolarHBondContact O-ND1 3Å; H283-V349 CarbonylContact C-O 3.54Å; H283-V349 VanDerWaalsContact CA-O 3.26Å; H283-V349 WeakPolarHBondContact CA-O 3.26Å |
| 284 | M | 89.8 | Confident | 88.1 | Confident | 121 Ų | 121 | 84.1 Ų | 84.1 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.6 | 175.6 | -175.3 | 169.3 | 63.4 | 0 | 0 | 109.3 | L286 Y348 V349 V351 | M284-L286 PolarHBondContact O-N 3.02Å; M284-Y348 CarbonylContact O-C 3.57Å; M284-Y348 WeakPolarHBondContact O-CA 3.42Å; M284-V349 PolarHBondContact N-O 3.01Å; M284-V349 PolarHBondContact O-N 2.84Å; M284-V351 HydrophobicContact CB-CG2 3.72Å |
| 285 | M | 90.5 | Very high | 89 | Confident | 94 Ų | 94 | 82.7 Ų | 82.7 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.2 | 173.7 | -168.9 | 177.2 | 75.6 | 0 | 0 | 109.3 | Y348 | M285-Y348 HydrophobicContact CB-CD1 3.99Å; M285-Y348 HydrophobicContact CB-CE1 3.84Å; M285-Y348 HydrophobicContact CG-CD1 4.32Å; M285-Y348 HydrophobicContact CG-CE1 3.96Å |
| 286 | L | 92.9 | Very high | 90.2 | Very high | 27 Ų | 27 | 83.4 Ų | 83.4 | 14% | 0.141 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 128.5 | 175 | -169.7 | 68 | 0 | 0 | 0 | 109.4 | M284 E290 R291 F342 V347 V349 | M284-L286 PolarHBondContact O-N 3.02Å; L286-E290 HydrophobicContact CD1-CB 4.13Å; L286-E290 VanDerWaalsContact CD1-OE2 3.3Å; L286-E290 WeakPolarHBondContact CD1-OE2 3.31Å; L286-E290 HydrophobicContact CG-CB 4.27Å; L286-R291 HydrophobicContact CD2-CB 4Å; L286-R291 HydrophobicContact CG-CB 4.4Å; L286-F342 HydrophobicContact CD2-CD1 4.18Å; L286-F342 HydrophobicContact CD2-CE1 3.62Å; L286-V347 HydrophobicContact CB-CB 4.3Å; L286-V347 HydrophobicContact CD2-CG1 4.47Å; L286-V347 PolarHBondContact N-O 3Å; L286-V349 HydrophobicContact CB-CG2 4.12Å; L286-V349 HydrophobicContact CD1-CG2 4.2Å; L286-V349 HydrophobicContact CD2-CG2 4.34Å; L286-V349 HydrophobicContact CG-CG2 4.47Å |
| 287 | P | 95.4 | Very high | 91.4 | Very high | 62 Ų | 62 | 82.3 Ų | 82.3 | 40% | 0.403 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -57 | 147 | 175.2 | -24.4 | 34.3 | 0 | 0 | 0 | 112.5 | G289 E290 R291 | P287-G289 VanDerWaalsContact C-N 3.28Å; P287-G289 PolarHBondContact O-N 3.33Å; P287-E290 HydrophobicContact CB-CG 4.48Å; P287-E290 PolarHBondContact O-N 3.43Å; P287-R291 WeakPolarHBondContact O-CB 3.34Å; P287-R291 PolarHBondContact O-N 3Å |
| 288 | D | 94.1 | Very high | 92.5 | Very high | 88 Ų | 88 | 77.6 Ų | 77.6 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.5 | -32.3 | -176.7 | -84.1 | -47.6 | 0 | 0 | 0 | 113.9 | R291 Q292 | D288-R291 IonicContact OD1-CZ 3.93Å; D288-R291 IonicContact OD1-NE 3.01Å; D288-R291 PolarHBondContact OD1-NE 3.19Å; D288-R291 IonicContact OD1-NH2 3.9Å; D288-R291 PolarHBondContact OD1-NH2 2.86Å; D288-Q292 WeakPolarHBondContact O-CB 3.44Å; D288-Q292 WeakPolarHBondContact O-CG 3.47Å; D288-Q292 PolarHBondContact O-N 3.44Å |
| 289 | G | 95.4 | Very high | 93.5 | Very high | 40 Ų | 40 | 73.5 Ų | 73.5 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -56.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P287 R291 Q292 E293 | P287-G289 VanDerWaalsContact C-N 3.28Å; P287-G289 PolarHBondContact O-N 3.33Å; G289-R291 VanDerWaalsContact C-N 3.28Å; G289-R291 PolarHBondContact O-N 2.99Å; G289-Q292 PolarHBondContact O-N 3.27Å; G289-Q292 VanDerWaalsContact O-N 3.11Å; G289-E293 WeakPolarHBondContact O-CG 3.42Å; G289-E293 PolarHBondContact O-N 3.11Å |
| 290 | E | 95.8 | Very high | 94.2 | Very high | 103 Ų | 103 | 76.8 Ų | 76.8 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 178.2 | -63.7 | 176.7 | -167.7 | 0 | 0 | 111.9 | L286 P287 E293 T294 | L286-E290 HydrophobicContact CD1-CB 4.13Å; L286-E290 VanDerWaalsContact CD1-OE2 3.3Å; L286-E290 WeakPolarHBondContact CD1-OE2 3.31Å; L286-E290 HydrophobicContact CG-CB 4.27Å; P287-E290 HydrophobicContact CB-CG 4.48Å; P287-E290 PolarHBondContact O-N 3.43Å; E290-E293 PolarHBondContact O-N 2.84Å; E290-T294 PolarHBondContact O-N 3.39Å; E290-T294 PolarHBondContact O-OG1 3.48Å |
| 291 | R | 96.2 | Very high | 94.8 | Very high | 22 Ų | 22 | 76.9 Ų | 76.9 | 8% | 0.083 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 174.9 | -176.8 | -175.6 | 65.5 | 83.5 | -3.8 | 112.2 | L286 P287 D288 G289 T294 L295 F342 R344 V347 | L286-R291 HydrophobicContact CD2-CB 4Å; L286-R291 HydrophobicContact CG-CB 4.4Å; P287-R291 WeakPolarHBondContact O-CB 3.34Å; P287-R291 PolarHBondContact O-N 3Å; D288-R291 IonicContact OD1-CZ 3.93Å; D288-R291 IonicContact OD1-NE 3.01Å; D288-R291 PolarHBondContact OD1-NE 3.19Å; D288-R291 IonicContact OD1-NH2 3.9Å; D288-R291 PolarHBondContact OD1-NH2 2.86Å; G289-R291 VanDerWaalsContact C-N 3.28Å; G289-R291 PolarHBondContact O-N 2.99Å; R291-T294 WeakPolarHBondContact CA-OG1 3.29Å; R291-T294 PolarHBondContact O-OG1 3.42Å; R291-L295 VanDerWaalsContact O-CB 3.28Å; R291-L295 WeakPolarHBondContact O-CB 3.43Å; R291-L295 PolarHBondContact O-N 2.89Å; R291-F342 HydrophobicContact CG-CD1 4.24Å; R291-F342 PolarHBondContact NH1-O 3.19Å; R291-R344 WeakPolarHBondContact CD-O 3.24Å; R291-R344 PolarHBondContact NH1-O 3.09Å; R291-V347 HydrophobicContact CG-CG2 4.07Å |
| 292 | Q | 96.9 | Very high | 95.4 | Very high | 93 Ų | 93 | 73.4 Ų | 73.4 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.7 | -36.8 | 179.6 | -74 | 175.7 | 18.7 | 0 | 0 | 111.9 | D288 G289 L295 K296 | D288-Q292 WeakPolarHBondContact O-CB 3.44Å; D288-Q292 WeakPolarHBondContact O-CG 3.47Å; D288-Q292 PolarHBondContact O-N 3.44Å; G289-Q292 PolarHBondContact O-N 3.27Å; G289-Q292 VanDerWaalsContact O-N 3.11Å; Q292-L295 PolarHBondContact O-N 3.38Å; Q292-K296 VanDerWaalsContact O-CG 3.27Å; Q292-K296 WeakPolarHBondContact O-CG 3.41Å; Q292-K296 PolarHBondContact O-N 2.88Å |
| 293 | E | 97.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 72.2 Ų | 72.2 | 61% | 0.607 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.6 | -49.1 | 175.6 | -72.4 | 173 | -170.7 | 0 | 0 | 111.6 | G289 E290 L295 K296 S297 | G289-E293 WeakPolarHBondContact O-CG 3.42Å; G289-E293 PolarHBondContact O-N 3.11Å; E290-E293 PolarHBondContact O-N 2.84Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 3.31Å; E293-K296 PolarHBondContact O-N 2.96Å; E293-S297 PolarHBondContact O-N 3.39Å |
| 294 | T | 96.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 72.6 Ų | 72.6 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 174.2 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | E290 R291 K296 S297 L298 | E290-T294 PolarHBondContact O-N 3.39Å; E290-T294 PolarHBondContact O-OG1 3.48Å; R291-T294 WeakPolarHBondContact CA-OG1 3.29Å; R291-T294 PolarHBondContact O-OG1 3.42Å; T294-K296 VanDerWaalsContact C-N 3.33Å; T294-K296 PolarHBondContact O-N 3.29Å; T294-S297 PolarHBondContact O-N 2.99Å; T294-L298 WeakPolarHBondContact O-CB 3.47Å; T294-L298 VanDerWaalsContact O-CG 3.3Å; T294-L298 WeakPolarHBondContact O-CG 3.46Å; T294-L298 PolarHBondContact O-N 3.4Å |
| 295 | L | 97.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 68 Ų | 68 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | 175.7 | -177.6 | 63.8 | 0 | 0 | 0 | 112.7 | R291 Q292 E293 K299 I339 F342 | R291-L295 VanDerWaalsContact O-CB 3.28Å; R291-L295 WeakPolarHBondContact O-CB 3.43Å; R291-L295 PolarHBondContact O-N 2.89Å; Q292-L295 PolarHBondContact O-N 3.38Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 3.31Å; L295-K299 WeakPolarHBondContact O-CG 3.12Å; L295-K299 PolarHBondContact O-N 3.45Å; L295-K299 VanDerWaalsContact O-N 3.09Å; L295-I339 HydrophobicContact CD1-CG2 4.02Å; L295-F342 HydrophobicContact CB-CB 4.26Å; L295-F342 HydrophobicContact CD1-CB 4.08Å |
| 296 | K | 98.1 | Very high | 97 | Very high | 127 Ų | 127 | 65.8 Ų | 65.8 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.8 | -50.1 | 175.3 | -74.1 | 169.4 | -176.6 | 176.6 | 0 | 110.7 | Q292 E293 T294 L298 K299 D300 | Q292-K296 VanDerWaalsContact O-CG 3.27Å; Q292-K296 WeakPolarHBondContact O-CG 3.41Å; Q292-K296 PolarHBondContact O-N 2.88Å; E293-K296 PolarHBondContact O-N 2.96Å; T294-K296 VanDerWaalsContact C-N 3.33Å; T294-K296 PolarHBondContact O-N 3.29Å; K296-L298 VanDerWaalsContact C-N 3.29Å; K296-L298 PolarHBondContact O-N 3.2Å; K296-K299 WeakPolarHBondContact O-CB 3.22Å; K296-K299 PolarHBondContact O-N 3.22Å; K296-D300 VanDerWaalsContact O-CG 3.26Å; K296-D300 PolarHBondContact O-N 2.9Å |
| 297 | S | 98.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 68.2 Ų | 68.2 | 48% | 0.483 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | E293 T294 K299 D300 T301 | E293-S297 PolarHBondContact O-N 3.39Å; T294-S297 PolarHBondContact O-N 2.99Å; S297-K299 PolarHBondContact O-N 2.85Å; S297-D300 PolarHBondContact O-N 2.87Å; S297-T301 WeakPolarHBondContact O-CG2 3.41Å; S297-T301 PolarHBondContact O-N 2.8Å; S297-T301 PolarHBondContact O-OG1 2.67Å |
| 298 | L | 98.1 | Very high | 97.3 | Very high | 32 Ų | 32 | 68.3 Ų | 68.3 | 17% | 0.168 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65 | -37 | 175.5 | -71.1 | 171.5 | 0 | 0 | 0 | 112.8 | T294 K296 T301 H302 I335 A338 I339 F342 | T294-L298 WeakPolarHBondContact O-CB 3.47Å; T294-L298 VanDerWaalsContact O-CG 3.3Å; T294-L298 WeakPolarHBondContact O-CG 3.46Å; T294-L298 PolarHBondContact O-N 3.4Å; K296-L298 VanDerWaalsContact C-N 3.29Å; K296-L298 PolarHBondContact O-N 3.2Å; L298-T301 VanDerWaalsContact CA-OG1 3.31Å; L298-T301 WeakPolarHBondContact CA-OG1 3.41Å; L298-T301 PolarHBondContact O-OG1 3.48Å; L298-H302 VanDerWaalsContact O-CB 3.23Å; L298-H302 WeakPolarHBondContact O-CB 3.43Å; L298-H302 PolarHBondContact O-N 3.39Å; L298-I335 HydrophobicContact CB-CG2 4.49Å; L298-I335 HydrophobicContact CD2-CG2 4.37Å; L298-I335 WeakPolarHBondContact O-CG2 3.4Å; L298-A338 HydrophobicContact CD1-CB 3.74Å; L298-A338 HydrophobicContact CD2-CB 4Å; L298-I339 HydrophobicContact CB-CD1 4.34Å; L298-I339 HydrophobicContact CB-CG1 3.66Å; L298-I339 HydrophobicContact CD1-CG1 4.44Å; L298-F342 HydrophobicContact CD1-CB 4.43Å; L298-F342 HydrophobicContact CD1-CD2 3.51Å; L298-F342 HydrophobicContact CD1-CE2 4.1Å; L298-F342 HydrophobicContact CD1-CG 4.2Å |
| 299 | K | 98.1 | Very high | 97.3 | Very high | 113 Ų | 113 | 65.8 Ų | 65.8 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.3 | -39.9 | 175.7 | -74.2 | 175.1 | 177.6 | -176.3 | 0 | 112.4 | L295 K296 S297 H302 G303 I339 | L295-K299 WeakPolarHBondContact O-CG 3.12Å; L295-K299 PolarHBondContact O-N 3.45Å; L295-K299 VanDerWaalsContact O-N 3.09Å; K296-K299 WeakPolarHBondContact O-CB 3.22Å; K296-K299 PolarHBondContact O-N 3.22Å; S297-K299 PolarHBondContact O-N 2.85Å; K299-H302 PolarHBondContact O-N 3.01Å; K299-G303 PolarHBondContact O-N 3.21Å; K299-I339 HydrophobicContact CG-CD1 4.34Å |
| 300 | D | 98.3 | Very high | 97.2 | Very high | 111 Ų | 111 | 70.1 Ų | 70.1 | 59% | 0.594 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | 178.8 | -62.1 | -25.2 | 0 | 0 | 0 | 111 | K296 S297 G303 S304 | K296-D300 VanDerWaalsContact O-CG 3.26Å; K296-D300 PolarHBondContact O-N 2.9Å; S297-D300 PolarHBondContact O-N 2.87Å; D300-G303 PolarHBondContact O-N 3.38Å; D300-S304 PolarHBondContact O-N 3.04Å; D300-S304 PolarHBondContact O-OG 3.15Å |
| 301 | T | 98.3 | Very high | 97.2 | Very high | 55 Ų | 55 | 69.4 Ų | 69.4 | 34% | 0.337 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 174.1 | 50.9 | 0 | 0 | 0 | 0 | 112 | S297 L298 G303 S304 L305 | S297-T301 WeakPolarHBondContact O-CG2 3.41Å; S297-T301 PolarHBondContact O-N 2.8Å; S297-T301 PolarHBondContact O-OG1 2.67Å; L298-T301 VanDerWaalsContact CA-OG1 3.31Å; L298-T301 WeakPolarHBondContact CA-OG1 3.41Å; L298-T301 PolarHBondContact O-OG1 3.48Å; T301-G303 PolarHBondContact O-N 2.97Å; T301-S304 WeakPolarHBondContact O-CB 3.48Å; T301-S304 PolarHBondContact O-N 3.11Å; T301-L305 WeakPolarHBondContact O-CG 3.46Å; T301-L305 PolarHBondContact O-N 3.37Å |
| 302 | H | 98.2 | Very high | 97 | Very high | 52 Ų | 52 | 69.6 Ų | 69.6 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.4 | -50.6 | 172.3 | 172.6 | -85.1 | 0 | 0 | 0 | 111.6 | L298 K299 S304 L305 V306 I335 E336 I339 | L298-H302 VanDerWaalsContact O-CB 3.23Å; L298-H302 WeakPolarHBondContact O-CB 3.43Å; L298-H302 PolarHBondContact O-N 3.39Å; K299-H302 PolarHBondContact O-N 3.01Å; H302-S304 VanDerWaalsContact C-N 3.26Å; H302-S304 PolarHBondContact O-N 3Å; H302-L305 PolarHBondContact O-N 3.47Å; H302-V306 WeakPolarHBondContact O-CG2 3.32Å; H302-V306 PolarHBondContact O-N 2.83Å; H302-I335 HydrophobicContact CB-CG2 3.86Å; H302-E336 IonicContact NE2-OE1 2.69Å; H302-I339 HydrophobicContact CB-CD1 3.98Å |
| 303 | G | 98.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 69 Ų | 69 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | K299 D300 T301 S307 | K299-G303 PolarHBondContact O-N 3.21Å; D300-G303 PolarHBondContact O-N 3.38Å; T301-G303 PolarHBondContact O-N 2.97Å; G303-S307 WeakPolarHBondContact O-CB 3.28Å; G303-S307 PolarHBondContact O-N 2.78Å; G303-S307 PolarHBondContact O-OG 2.72Å |
| 304 | S | 97.9 | Very high | 96 | Very high | 77 Ų | 77 | 71 Ų | 71 | 54% | 0.538 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 175.9 | -56.1 | 0 | 0 | 0 | 0 | 112 | D300 T301 H302 S307 E308 | D300-S304 PolarHBondContact O-N 3.04Å; D300-S304 PolarHBondContact O-OG 3.15Å; T301-S304 WeakPolarHBondContact O-CB 3.48Å; T301-S304 PolarHBondContact O-N 3.11Å; H302-S304 VanDerWaalsContact C-N 3.26Å; H302-S304 PolarHBondContact O-N 3Å; S304-S307 WeakPolarHBondContact O-CB 3.36Å; S304-S307 PolarHBondContact O-N 3.41Å; S304-E308 PolarHBondContact O-N 2.95Å |
| 305 | L | 97.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 78.7 Ų | 78.7 | 13% | 0.131 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 177.3 | -70 | -174.8 | 0 | 0 | 0 | 112.6 | T301 H302 S307 E308 L309 L328 K331 L332 I335 | T301-L305 WeakPolarHBondContact O-CG 3.46Å; T301-L305 PolarHBondContact O-N 3.37Å; H302-L305 PolarHBondContact O-N 3.47Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-E308 PolarHBondContact O-N 2.97Å; L305-L309 WeakPolarHBondContact O-CB 3.47Å; L305-L309 PolarHBondContact O-N 3.34Å; L305-L328 HydrophobicContact CD2-CD2 3.89Å; L305-K331 HydrophobicContact CD1-CB 3.86Å; L305-L332 HydrophobicContact CB-CD2 3.77Å; L305-L332 HydrophobicContact CB-CG 4.07Å; L305-L332 HydrophobicContact CD1-CD2 4.28Å; L305-L332 HydrophobicContact CD1-CG 4.31Å; L305-I335 HydrophobicContact CD1-CD1 3.49Å; L305-I335 VanDerWaalsContact CD1-CD1 3.49Å; L305-I335 HydrophobicContact CG-CD1 4.47Å |
| 306 | V | 97.7 | Very high | 93.8 | Very high | 48 Ų | 48 | 79.1 Ų | 79.1 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 173.6 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | H302 E308 L309 L310 L332 | H302-V306 WeakPolarHBondContact O-CG2 3.32Å; H302-V306 PolarHBondContact O-N 2.83Å; V306-E308 VanDerWaalsContact C-N 3.31Å; V306-E308 PolarHBondContact O-N 3.43Å; V306-L309 PolarHBondContact O-N 3.27Å; V306-L310 HydrophobicContact CG1-CD1 3.88Å; V306-L310 HydrophobicContact CG1-CG 4.3Å; V306-L310 WeakPolarHBondContact O-CB 3.3Å; V306-L310 VanDerWaalsContact O-CG 3.24Å; V306-L310 WeakPolarHBondContact O-CG 3.49Å; V306-L310 PolarHBondContact O-N 3.45Å; V306-L332 HydrophobicContact CG2-CD1 4.41Å; V306-L332 HydrophobicContact CG2-CD2 3.8Å |
| 307 | S | 97.7 | Very high | 92.6 | Very high | 77 Ų | 77 | 80.1 Ų | 80.1 | 54% | 0.538 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 176.7 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | G303 S304 L305 L310 S311 | G303-S307 WeakPolarHBondContact O-CB 3.28Å; G303-S307 PolarHBondContact O-N 2.78Å; G303-S307 PolarHBondContact O-OG 2.72Å; S304-S307 WeakPolarHBondContact O-CB 3.36Å; S304-S307 PolarHBondContact O-N 3.41Å; L305-S307 VanDerWaalsContact C-N 3.32Å; S307-L310 PolarHBondContact O-N 3.45Å; S307-S311 PolarHBondContact O-N 2.94Å; S307-S311 VanDerWaalsContact O-N 3.09Å |
| 308 | E | 96.3 | Very high | 92.3 | Very high | 64 Ų | 64 | 78.7 Ų | 78.7 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 174.9 | -170.3 | -178 | 167.4 | 0 | 0 | 111.7 | S304 L305 V306 L310 S311 L312 R324 L328 | S304-E308 PolarHBondContact O-N 2.95Å; L305-E308 PolarHBondContact O-N 2.97Å; V306-E308 VanDerWaalsContact C-N 3.31Å; V306-E308 PolarHBondContact O-N 3.43Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 2.98Å; E308-S311 WeakPolarHBondContact O-CB 3.5Å; E308-S311 PolarHBondContact O-N 2.96Å; E308-S311 VanDerWaalsContact O-N 3.11Å; E308-S311 PolarHBondContact O-OG 3.33Å; E308-L312 PolarHBondContact O-N 3.11Å; E308-R324 IonicContact OE1-CZ 2.8Å; E308-R324 IonicContact OE1-NE 3.39Å; E308-R324 PolarHBondContact OE1-NE 3Å; E308-R324 IonicContact OE1-NH2 2.68Å; E308-R324 PolarHBondContact OE1-NH2 2.92Å; E308-L328 HydrophobicContact CB-CD1 4.4Å; E308-L328 HydrophobicContact CG-CD1 3.98Å; E308-L328 HydrophobicContact CG-CD2 4.33Å |
| 309 | L | 94.8 | Very high | 91.9 | Very high | 36 Ų | 36 | 83.6 Ų | 83.6 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 178.6 | -175.9 | 133.6 | 0 | 0 | 0 | 111.9 | L305 V306 S311 L312 L328 D329 L332 | L305-L309 WeakPolarHBondContact O-CB 3.47Å; L305-L309 PolarHBondContact O-N 3.34Å; V306-L309 PolarHBondContact O-N 3.27Å; L309-S311 VanDerWaalsContact C-N 3.25Å; L309-S311 PolarHBondContact O-N 3.09Å; L309-L312 WeakPolarHBondContact O-CB 3.37Å; L309-L312 PolarHBondContact O-N 2.97Å; L309-L328 HydrophobicContact CB-CD1 4.17Å; L309-L328 HydrophobicContact CD1-CB 4.06Å; L309-D329 WeakPolarHBondContact CD1-OD1 3.49Å; L309-L332 HydrophobicContact CD1-CD1 4.08Å |
| 310 | L | 94.3 | Very high | 91.6 | Very high | 131 Ų | 131 | 82.6 Ų | 82.6 | 69% | 0.686 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69 | -22.5 | 175.9 | -67.9 | 174.7 | 0 | 0 | 0 | 113 | V306 S307 E308 L312 | V306-L310 HydrophobicContact CG1-CD1 3.88Å; V306-L310 HydrophobicContact CG1-CG 4.3Å; V306-L310 WeakPolarHBondContact O-CB 3.3Å; V306-L310 VanDerWaalsContact O-CG 3.24Å; V306-L310 WeakPolarHBondContact O-CG 3.49Å; V306-L310 PolarHBondContact O-N 3.45Å; S307-L310 PolarHBondContact O-N 3.45Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 2.98Å; L310-L312 VanDerWaalsContact C-N 3.3Å |
| 311 | S | 94.2 | Very high | 91.3 | Very high | 87 Ų | 87 | 79.3 Ų | 79.3 | 61% | 0.608 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -77.6 | -12.7 | 175.5 | 78.7 | 0 | 0 | 0 | 0 | 113.9 | S307 E308 L309 | S307-S311 PolarHBondContact O-N 2.94Å; S307-S311 VanDerWaalsContact O-N 3.09Å; E308-S311 WeakPolarHBondContact O-CB 3.5Å; E308-S311 PolarHBondContact O-N 2.96Å; E308-S311 VanDerWaalsContact O-N 3.11Å; E308-S311 PolarHBondContact O-OG 3.33Å; L309-S311 VanDerWaalsContact C-N 3.25Å; L309-S311 PolarHBondContact O-N 3.09Å |
| 312 | L | 92.5 | Very high | 91 | Very high | 26 Ų | 26 | 84.2 Ų | 84.2 | 14% | 0.136 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -70 | 145.3 | 179.6 | -64.6 | -178.2 | 0 | 0 | 0 | 111.8 | E308 L309 L310 L314 R325 L328 | E308-L312 PolarHBondContact O-N 3.11Å; L309-L312 WeakPolarHBondContact O-CB 3.37Å; L309-L312 PolarHBondContact O-N 2.97Å; L310-L312 VanDerWaalsContact C-N 3.3Å; L312-L314 PolarHBondContact O-N 2.97Å; L312-R325 HydrophobicContact CD1-CB 3.9Å; L312-R325 HydrophobicContact CD1-CG 4.37Å; L312-L328 HydrophobicContact CD1-CD1 3.94Å; L312-L328 HydrophobicContact CG-CD1 4.5Å |
| 313 | P | 91.9 | Very high | 90.8 | Very high | 80 Ų | 80 | 85.3 Ų | 85.3 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | trans | -58.9 | 135.5 | 177 | -22.7 | 32.2 | 0 | 0 | 0 | 113 | R315 | P313-R315 PolarHBondContact O-N 3.49Š| ||
| 314 | L | 82.6 | Confident | 90.6 | Very high | 172 Ų | 172 | 89.5 Ų | 89.5 | 90% | 0.901 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -62.8 | -37.9 | -178.5 | -70.7 | 167.5 | 0 | 0 | 0 | 113.4 | L312 | L312-L314 PolarHBondContact O-N 2.97Š|
| 315 | R | 81.8 | Confident | 90.5 | Very high | 218 Ų | 218 | 91.5 Ų | 91.5 | 82% | 0.823 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -98.3 | 116.6 | 174.6 | -66.1 | -179.7 | 78.4 | 145.5 | 1.7 | 108.4 | P313 | P313-R315 PolarHBondContact O-N 3.49Š|
| 316 | S | 65.3 | Low | 90.4 | Very high | 31 Ų | 31 | 92.7 Ų | 92.7 | 22% | 0.217 | 49% | 0.493 | C | S | . | . | trans | -127.4 | 72.4 | -169.8 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | G318 | S316-G318 VanDerWaalsContact C-N 3.31Š| ||
| 317 | D | 73.5 | Confident | 90.3 | Very high | 148 Ų | 148 | 95.8 Ų | 95.8 | 79% | 0.791 | 51% | 0.505 | S | S | * | . | trans | -78.6 | -18.8 | 178.3 | -60.2 | -31.7 | 0 | 0 | 0 | 112.1 | ||||
| 318 | G | 90.6 | Very high | 90.3 | Very high | 38 Ų | 38 | 92.4 Ų | 92.4 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -81.5 | 130.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S316 S320 V321 R322 | S316-G318 VanDerWaalsContact C-N 3.31Å; G318-S320 PolarHBondContact O-N 2.94Å; G318-V321 PolarHBondContact O-N 3.29Å; G318-V321 VanDerWaalsContact O-N 3.11Å; G318-R322 PolarHBondContact O-N 3.3Å |
| 319 | L | 91.6 | Very high | 90.3 | Very high | 135 Ų | 135 | 92.9 Ų | 92.9 | 71% | 0.707 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -52.5 | -38.2 | 177.1 | -71.2 | 171.3 | 0 | 0 | 0 | 113.1 | V321 R322 T323 | L319-V321 PolarHBondContact O-N 3.31Å; L319-R322 PolarHBondContact O-N 3.04Å; L319-T323 WeakPolarHBondContact O-CG2 3.28Å; L319-T323 PolarHBondContact O-N 2.97Å; L319-T323 PolarHBondContact O-OG1 3.02Å |
| 320 | S | 90.7 | Very high | 90.4 | Very high | 93 Ų | 93 | 94.4 Ų | 94.4 | 65% | 0.65 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 113.5 | G318 T323 R324 | G318-S320 PolarHBondContact O-N 2.94Å; S320-T323 WeakPolarHBondContact CA-OG1 3.3Å; S320-T323 PolarHBondContact O-OG1 3.35Å; S320-R324 WeakPolarHBondContact O-CB 3.27Å; S320-R324 PolarHBondContact O-N 2.84Å |
| 321 | V | 92.2 | Very high | 90.6 | Very high | 41 Ų | 41 | 93.1 Ų | 93.1 | 25% | 0.248 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | G318 L319 R325 | G318-V321 PolarHBondContact O-N 3.29Å; G318-V321 VanDerWaalsContact O-N 3.11Å; L319-V321 PolarHBondContact O-N 3.31Å; V321-R325 WeakPolarHBondContact O-CB 3.39Å; V321-R325 PolarHBondContact O-N 3.44Å |
| 322 | R | 92.3 | Very high | 90.8 | Very high | 158 Ų | 158 | 89.8 Ų | 89.8 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 177.1 | -61.7 | 179.6 | 77 | -175.8 | 4.9 | 111.9 | G318 L319 R325 A326 | G318-R322 PolarHBondContact O-N 3.3Å; L319-R322 PolarHBondContact O-N 3.04Å; R322-R325 PolarHBondContact O-N 3.5Å; R322-A326 WeakPolarHBondContact O-CB 3.37Å; R322-A326 PolarHBondContact O-N 3.45Å |
| 323 | T | 94.1 | Very high | 91 | Very high | 75 Ų | 75 | 91.3 Ų | 91.3 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 176.6 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | L319 S320 R325 A326 Q327 | L319-T323 WeakPolarHBondContact O-CG2 3.28Å; L319-T323 PolarHBondContact O-N 2.97Å; L319-T323 PolarHBondContact O-OG1 3.02Å; S320-T323 WeakPolarHBondContact CA-OG1 3.3Å; S320-T323 PolarHBondContact O-OG1 3.35Å; T323-R325 VanDerWaalsContact C-N 3.34Å; T323-R325 PolarHBondContact O-N 2.91Å; T323-A326 PolarHBondContact O-N 3.1Å; T323-Q327 VanDerWaalsContact O-CG 3.3Å; T323-Q327 WeakPolarHBondContact O-CG 3.34Å; T323-Q327 PolarHBondContact O-N 2.9Å |
| 324 | R | 94.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 93.6 Ų | 93.6 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.7 | -174.6 | 175.4 | -179.8 | -178.3 | 1.2 | 111.7 | E308 S320 Q327 L328 | E308-R324 IonicContact OE1-CZ 2.8Å; E308-R324 IonicContact OE1-NE 3.39Å; E308-R324 PolarHBondContact OE1-NE 3Å; E308-R324 IonicContact OE1-NH2 2.68Å; E308-R324 PolarHBondContact OE1-NH2 2.92Å; S320-R324 WeakPolarHBondContact O-CB 3.27Å; S320-R324 PolarHBondContact O-N 2.84Å; R324-Q327 WeakPolarHBondContact O-CB 3.21Å; R324-Q327 PolarHBondContact O-N 3.29Å; R324-L328 WeakPolarHBondContact O-CG 3.41Å; R324-L328 PolarHBondContact O-N 3.29Å |
| 325 | R | 94.4 | Very high | 92 | Very high | 119 Ų | 119 | 86.7 Ų | 86.7 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.3 | -50 | 175.4 | -176.8 | 173.5 | 179.6 | 162.4 | 2.6 | 111.8 | L312 V321 R322 T323 Q327 L328 D329 | L312-R325 HydrophobicContact CD1-CB 3.9Å; L312-R325 HydrophobicContact CD1-CG 4.37Å; V321-R325 WeakPolarHBondContact O-CB 3.39Å; V321-R325 PolarHBondContact O-N 3.44Å; R322-R325 PolarHBondContact O-N 3.5Å; T323-R325 VanDerWaalsContact C-N 3.34Å; T323-R325 PolarHBondContact O-N 2.91Å; R325-Q327 VanDerWaalsContact C-N 3.27Å; R325-Q327 PolarHBondContact O-N 2.98Å; R325-L328 PolarHBondContact O-N 2.93Å; R325-L328 VanDerWaalsContact O-N 3.1Å; R325-D329 PolarHBondContact O-N 3.42Å |
| 326 | A | 95.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 81.3 Ų | 81.3 | 41% | 0.405 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.6 | -37.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R322 T323 D329 C330 | R322-A326 WeakPolarHBondContact O-CB 3.37Å; R322-A326 PolarHBondContact O-N 3.45Å; T323-A326 PolarHBondContact O-N 3.1Å; A326-D329 PolarHBondContact O-N 2.92Å; A326-C330 PolarHBondContact O-N 2.89Å; A326-C330 PolarHBondContact O-SG 3.01Å |
| 327 | Q | 96.6 | Very high | 94.3 | Very high | 114 Ų | 114 | 86.2 Ų | 86.2 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.6 | -72.5 | 171.4 | -1.7 | 0 | 0 | 112.5 | T323 R324 R325 C330 K331 | T323-Q327 VanDerWaalsContact O-CG 3.3Å; T323-Q327 WeakPolarHBondContact O-CG 3.34Å; T323-Q327 PolarHBondContact O-N 2.9Å; R324-Q327 WeakPolarHBondContact O-CB 3.21Å; R324-Q327 PolarHBondContact O-N 3.29Å; R325-Q327 VanDerWaalsContact C-N 3.27Å; R325-Q327 PolarHBondContact O-N 2.98Å; Q327-C330 PolarHBondContact O-N 3.4Å; Q327-K331 WeakPolarHBondContact O-CG 3.5Å; Q327-K331 PolarHBondContact O-N 3.49Å |
| 328 | L | 96.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 80.3 Ų | 80.3 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.3 | -69.4 | 174.9 | 0 | 0 | 0 | 111.4 | L305 E308 L309 L312 R324 R325 C330 K331 L332 | L305-L328 HydrophobicContact CD2-CD2 3.89Å; E308-L328 HydrophobicContact CB-CD1 4.4Å; E308-L328 HydrophobicContact CG-CD1 3.98Å; E308-L328 HydrophobicContact CG-CD2 4.33Å; L309-L328 HydrophobicContact CB-CD1 4.17Å; L309-L328 HydrophobicContact CD1-CB 4.06Å; L312-L328 HydrophobicContact CD1-CD1 3.94Å; L312-L328 HydrophobicContact CG-CD1 4.5Å; R324-L328 WeakPolarHBondContact O-CG 3.41Å; R324-L328 PolarHBondContact O-N 3.29Å; R325-L328 PolarHBondContact O-N 2.93Å; R325-L328 VanDerWaalsContact O-N 3.1Å; L328-C330 PolarHBondContact O-N 3.31Å; L328-K331 PolarHBondContact O-N 2.96Å; L328-L332 WeakPolarHBondContact O-CB 3.3Å; L328-L332 WeakPolarHBondContact O-CG 3.32Å; L328-L332 PolarHBondContact O-N 3.4Å |
| 329 | D | 96.1 | Very high | 95.8 | Very high | 74 Ų | 74 | 80 Ų | 80 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 176.3 | -70.2 | -36.3 | 0 | 0 | 0 | 111.6 | L309 R325 A326 L332 S333 | L309-D329 WeakPolarHBondContact CD1-OD1 3.49Å; R325-D329 PolarHBondContact O-N 3.42Å; A326-D329 PolarHBondContact O-N 2.92Å; D329-L332 PolarHBondContact O-N 3.38Å; D329-S333 PolarHBondContact O-N 2.94Å |
| 330 | C | 97.8 | Very high | 96.1 | Very high | 69 Ų | 69 | 80.3 Ų | 80.3 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 175.8 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | A326 Q327 L328 L332 S333 E334 | A326-C330 PolarHBondContact O-N 2.89Å; A326-C330 PolarHBondContact O-SG 3.01Å; Q327-C330 PolarHBondContact O-N 3.4Å; L328-C330 PolarHBondContact O-N 3.31Å; C330-L332 VanDerWaalsContact C-N 3.3Å; C330-L332 PolarHBondContact O-N 2.94Å; C330-S333 PolarHBondContact O-N 3.2Å; C330-S333 VanDerWaalsContact O-N 3.15Å; C330-S333 PolarHBondContact O-OG 3.3Å; C330-E334 WeakPolarHBondContact O-CG 3.35Å; C330-E334 PolarHBondContact O-N 3.44Å |
| 331 | K | 97.9 | Very high | 96.3 | Very high | 104 Ų | 104 | 79.9 Ų | 79.9 | 45% | 0.452 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 177.8 | -72.3 | 176.1 | -179.5 | -179.6 | 0 | 112.4 | L305 Q327 L328 E334 I335 | L305-K331 HydrophobicContact CD1-CB 3.86Å; Q327-K331 WeakPolarHBondContact O-CG 3.5Å; Q327-K331 PolarHBondContact O-N 3.49Å; L328-K331 PolarHBondContact O-N 2.96Å; K331-E334 PolarHBondContact O-N 3.11Å; K331-I335 WeakPolarHBondContact O-CG1 3.15Å; K331-I335 PolarHBondContact O-N 3.01Å |
| 332 | L | 97.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 80 Ų | 80 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 174.7 | -83.7 | 168.9 | 0 | 0 | 0 | 110.8 | L305 V306 L309 L328 D329 C330 E334 I335 E336 | L305-L332 HydrophobicContact CB-CD2 3.77Å; L305-L332 HydrophobicContact CB-CG 4.07Å; L305-L332 HydrophobicContact CD1-CD2 4.28Å; L305-L332 HydrophobicContact CD1-CG 4.31Å; V306-L332 HydrophobicContact CG2-CD1 4.41Å; V306-L332 HydrophobicContact CG2-CD2 3.8Å; L309-L332 HydrophobicContact CD1-CD1 4.08Å; L328-L332 WeakPolarHBondContact O-CB 3.3Å; L328-L332 WeakPolarHBondContact O-CG 3.32Å; L328-L332 PolarHBondContact O-N 3.4Å; D329-L332 PolarHBondContact O-N 3.38Å; C330-L332 VanDerWaalsContact C-N 3.3Å; C330-L332 PolarHBondContact O-N 2.94Å; L332-E334 VanDerWaalsContact C-N 3.34Å; L332-E334 PolarHBondContact O-N 3.18Å; L332-I335 PolarHBondContact O-N 2.94Å; L332-E336 WeakPolarHBondContact O-CB 3.38Å; L332-E336 VanDerWaalsContact O-CG 3.32Å; L332-E336 WeakPolarHBondContact O-CG 3.39Å; L332-E336 PolarHBondContact O-N 2.94Å |
| 333 | S | 97.9 | Very high | 96.6 | Very high | 59 Ų | 59 | 75.5 Ų | 75.5 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 177.4 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | D329 C330 E336 E337 | D329-S333 PolarHBondContact O-N 2.94Å; C330-S333 PolarHBondContact O-N 3.2Å; C330-S333 VanDerWaalsContact O-N 3.15Å; C330-S333 PolarHBondContact O-OG 3.3Å; S333-E336 PolarHBondContact O-N 2.88Å; S333-E337 WeakPolarHBondContact O-CG 3.31Å; S333-E337 PolarHBondContact O-N 3.23Å |
| 334 | E | 97.9 | Very high | 96.7 | Very high | 128 Ų | 128 | 79 Ų | 79 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 175.1 | -69.1 | 170.5 | -168.6 | 0 | 0 | 111.8 | C330 K331 L332 E337 A338 | C330-E334 WeakPolarHBondContact O-CG 3.35Å; C330-E334 PolarHBondContact O-N 3.44Å; K331-E334 PolarHBondContact O-N 3.11Å; L332-E334 VanDerWaalsContact C-N 3.34Å; L332-E334 PolarHBondContact O-N 3.18Å; E334-E337 PolarHBondContact O-N 3.2Å; E334-A338 PolarHBondContact O-N 3.49Å |
| 335 | I | 98.1 | Very high | 96.5 | Very high | 27 Ų | 27 | 79.6 Ų | 79.6 | 14% | 0.138 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69 | -39.6 | 178.5 | -68.7 | -179.1 | 0 | 0 | 0 | 111.3 | L298 H302 L305 K331 L332 E337 A338 I339 | L298-I335 HydrophobicContact CB-CG2 4.49Å; L298-I335 HydrophobicContact CD2-CG2 4.37Å; L298-I335 WeakPolarHBondContact O-CG2 3.4Å; H302-I335 HydrophobicContact CB-CG2 3.86Å; L305-I335 HydrophobicContact CD1-CD1 3.49Å; L305-I335 VanDerWaalsContact CD1-CD1 3.49Å; L305-I335 HydrophobicContact CG-CD1 4.47Å; K331-I335 WeakPolarHBondContact O-CG1 3.15Å; K331-I335 PolarHBondContact O-N 3.01Å; L332-I335 PolarHBondContact O-N 2.94Å; I335-E337 VanDerWaalsContact C-N 3.33Å; I335-E337 PolarHBondContact O-N 3.46Å; I335-A338 CarbonylContact O-C 3.59Å; I335-A338 WeakPolarHBondContact O-CB 3.23Å; I335-A338 PolarHBondContact O-N 3.44Å; I335-I339 HydrophobicContact CG2-CD1 3.78Å; I335-I339 HydrophobicContact CG2-CG1 4.19Å; I335-I339 WeakPolarHBondContact O-CB 3.36Å; I335-I339 VanDerWaalsContact O-CG1 3.28Å; I335-I339 WeakPolarHBondContact O-CG1 3.42Å; I335-I339 PolarHBondContact O-N 3.47Å |
| 336 | E | 97.4 | Very high | 96.4 | Very high | 105 Ų | 105 | 80.5 Ų | 80.5 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.4 | -75.5 | 177.8 | 177.1 | 0 | 0 | 111.7 | H302 L332 S333 I339 K340 | H302-E336 IonicContact NE2-OE1 2.69Å; L332-E336 WeakPolarHBondContact O-CB 3.38Å; L332-E336 VanDerWaalsContact O-CG 3.32Å; L332-E336 WeakPolarHBondContact O-CG 3.39Å; L332-E336 PolarHBondContact O-N 2.94Å; S333-E336 PolarHBondContact O-N 2.88Å; E336-I339 PolarHBondContact O-N 3.42Å; E336-K340 VanDerWaalsContact O-CB 3.29Å; E336-K340 WeakPolarHBondContact O-CB 3.38Å; E336-K340 PolarHBondContact O-N 2.62Å |
| 337 | E | 97.8 | Very high | 96.3 | Very high | 134 Ų | 134 | 78.5 Ų | 78.5 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 171.8 | -74.1 | -170 | 170.9 | 0 | 0 | 111.6 | S333 E334 I335 K340 I341 | S333-E337 WeakPolarHBondContact O-CG 3.31Å; S333-E337 PolarHBondContact O-N 3.23Å; E334-E337 PolarHBondContact O-N 3.2Å; I335-E337 VanDerWaalsContact C-N 3.33Å; I335-E337 PolarHBondContact O-N 3.46Å; E337-K340 WeakPolarHBondContact O-CB 3.44Å; E337-K340 PolarHBondContact O-N 3.11Å; E337-I341 VanDerWaalsContact O-CG1 3.31Å; E337-I341 WeakPolarHBondContact O-CG1 3.43Å; E337-I341 PolarHBondContact O-N 3.27Å |
| 338 | A | 97 | Very high | 96.1 | Very high | 24 Ų | 24 | 76 Ų | 76 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61 | -48.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L298 E334 I335 K340 I341 F342 | L298-A338 HydrophobicContact CD1-CB 3.74Å; L298-A338 HydrophobicContact CD2-CB 4Å; E334-A338 PolarHBondContact O-N 3.49Å; I335-A338 CarbonylContact O-C 3.59Å; I335-A338 WeakPolarHBondContact O-CB 3.23Å; I335-A338 PolarHBondContact O-N 3.44Å; A338-K340 VanDerWaalsContact C-N 3.25Å; A338-K340 PolarHBondContact O-N 2.86Å; A338-I341 WeakPolarHBondContact O-CA 3.44Å; A338-I341 WeakPolarHBondContact O-CB 3.45Å; A338-I341 PolarHBondContact O-N 3.29Å; A338-F342 WeakPolarHBondContact O-CD2 3.34Å; A338-F342 PolarHBondContact O-N 3.23Å |
| 339 | I | 97.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.159 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.8 | -41.8 | 176 | -70.2 | 170.3 | 0 | 0 | 0 | 110.4 | L295 L298 K299 H302 I335 E336 I341 F342 S343 | L295-I339 HydrophobicContact CD1-CG2 4.02Å; L298-I339 HydrophobicContact CB-CD1 4.34Å; L298-I339 HydrophobicContact CB-CG1 3.66Å; L298-I339 HydrophobicContact CD1-CG1 4.44Å; K299-I339 HydrophobicContact CG-CD1 4.34Å; H302-I339 HydrophobicContact CB-CD1 3.98Å; I335-I339 HydrophobicContact CG2-CD1 3.78Å; I335-I339 HydrophobicContact CG2-CG1 4.19Å; I335-I339 WeakPolarHBondContact O-CB 3.36Å; I335-I339 VanDerWaalsContact O-CG1 3.28Å; I335-I339 WeakPolarHBondContact O-CG1 3.42Å; I335-I339 PolarHBondContact O-N 3.47Å; E336-I339 PolarHBondContact O-N 3.42Å; I339-I341 VanDerWaalsContact C-N 3.28Å; I339-I341 PolarHBondContact O-N 3.43Å; I339-F342 PolarHBondContact O-N 3.28Å; I339-S343 WeakPolarHBondContact O-CB 3.46Å; I339-S343 PolarHBondContact O-N 2.92Å; I339-S343 PolarHBondContact O-OG 3.41Å |
| 340 | K | 97.6 | Very high | 95.7 | Very high | 142 Ų | 142 | 82 Ų | 82 | 62% | 0.617 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.3 | -32.4 | 176 | -176.4 | -179.3 | -179.8 | -179.7 | 0 | 112.8 | E336 E337 A338 S343 | E336-K340 VanDerWaalsContact O-CB 3.29Å; E336-K340 WeakPolarHBondContact O-CB 3.38Å; E336-K340 PolarHBondContact O-N 2.62Å; E337-K340 WeakPolarHBondContact O-CB 3.44Å; E337-K340 PolarHBondContact O-N 3.11Å; A338-K340 VanDerWaalsContact C-N 3.25Å; A338-K340 PolarHBondContact O-N 2.86Å; K340-S343 WeakPolarHBondContact CA-OG 3.44Å; K340-S343 PolarHBondContact O-OG 3.25Å |
| 341 | I | 95.8 | Very high | 95.2 | Very high | 83 Ų | 83 | 82 Ų | 82 | 43% | 0.426 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -73.2 | -50.7 | 174.3 | -66.1 | 162.5 | 0 | 0 | 0 | 110.2 | E337 A338 I339 S343 R344 V347 | E337-I341 VanDerWaalsContact O-CG1 3.31Å; E337-I341 WeakPolarHBondContact O-CG1 3.43Å; E337-I341 PolarHBondContact O-N 3.27Å; A338-I341 WeakPolarHBondContact O-CA 3.44Å; A338-I341 WeakPolarHBondContact O-CB 3.45Å; A338-I341 PolarHBondContact O-N 3.29Å; I339-I341 VanDerWaalsContact C-N 3.28Å; I339-I341 PolarHBondContact O-N 3.43Å; I341-S343 VanDerWaalsContact C-N 3.34Å; I341-S343 PolarHBondContact O-N 2.93Å; I341-R344 WeakPolarHBondContact O-CB 3.49Å; I341-R344 WeakPolarHBondContact O-CG 3.45Å; I341-R344 PolarHBondContact O-N 2.93Å; I341-V347 HydrophobicContact CG2-CG1 4.26Å; I341-V347 WeakPolarHBondContact O-CG2 3.46Å |
| 342 | F | 96.2 | Very high | 94.1 | Very high | 43 Ų | 43 | 84.1 Ų | 84.1 | 19% | 0.189 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -76.3 | -17.8 | -175 | -73.6 | -80.6 | 0 | 0 | 0 | 114.6 | L286 R291 L295 L298 A338 I339 R344 V347 | L286-F342 HydrophobicContact CD2-CD1 4.18Å; L286-F342 HydrophobicContact CD2-CE1 3.62Å; R291-F342 HydrophobicContact CG-CD1 4.24Å; R291-F342 PolarHBondContact NH1-O 3.19Å; L295-F342 HydrophobicContact CB-CB 4.26Å; L295-F342 HydrophobicContact CD1-CB 4.08Å; L298-F342 HydrophobicContact CD1-CB 4.43Å; L298-F342 HydrophobicContact CD1-CD2 3.51Å; L298-F342 HydrophobicContact CD1-CE2 4.1Å; L298-F342 HydrophobicContact CD1-CG 4.2Å; A338-F342 WeakPolarHBondContact O-CD2 3.34Å; A338-F342 PolarHBondContact O-N 3.23Å; I339-F342 PolarHBondContact O-N 3.28Å; F342-R344 PolarHBondContact O-N 3.47Å; F342-V347 HydrophobicContact CD1-CG1 4.31Å; F342-V347 HydrophobicContact CD1-CG2 4.36Å; F342-V347 HydrophobicContact CE1-CG1 4.14Å |
| 343 | S | 95.4 | Very high | 92.2 | Very high | 64 Ų | 64 | 92 Ų | 92 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.5 | 171.7 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | I339 K340 I341 | I339-S343 WeakPolarHBondContact O-CB 3.46Å; I339-S343 PolarHBondContact O-N 2.92Å; I339-S343 PolarHBondContact O-OG 3.41Å; K340-S343 WeakPolarHBondContact CA-OG 3.44Å; K340-S343 PolarHBondContact O-OG 3.25Å; I341-S343 VanDerWaalsContact C-N 3.34Å; I341-S343 PolarHBondContact O-N 2.93Å |
| 344 | R | 94.3 | Very high | 91.9 | Very high | 150 Ų | 150 | 93.6 Ų | 93.6 | 57% | 0.566 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -70.8 | 148.6 | 174.4 | -60.9 | 177.5 | -179.2 | -178.1 | 0 | 110.5 | R291 I341 F342 R346 | R291-R344 WeakPolarHBondContact CD-O 3.24Å; R291-R344 PolarHBondContact NH1-O 3.09Å; I341-R344 WeakPolarHBondContact O-CB 3.49Å; I341-R344 WeakPolarHBondContact O-CG 3.45Å; I341-R344 PolarHBondContact O-N 2.93Å; F342-R344 PolarHBondContact O-N 3.47Å; R344-R346 VanDerWaalsContact C-N 3.26Å; R344-R346 PolarHBondContact O-N 2.76Å |
| 345 | D | 92.1 | Very high | 91.6 | Very high | 131 Ų | 131 | 91.8 Ų | 91.8 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -62.4 | -34.4 | 178.4 | -65.4 | -9.5 | 0 | 0 | 0 | 112.7 | ||
| 346 | R | 90.7 | Very high | 91.2 | Very high | 138 Ų | 138 | 95.4 Ų | 95.4 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | trans | -123.4 | 120.5 | -178.6 | -57.6 | -176.1 | -172 | -159.8 | -1.4 | 110 | R344 | R344-R346 VanDerWaalsContact C-N 3.26Å; R344-R346 PolarHBondContact O-N 2.76Å | ||
| 347 | V | 93.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 94.8 Ų | 94.8 | 5% | 0.048 | 48% | 0.483 | C | S | . | . | trans | -118.7 | 132.9 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | L286 R291 I341 F342 V349 | L286-V347 HydrophobicContact CB-CB 4.3Å; L286-V347 HydrophobicContact CD2-CG1 4.47Å; L286-V347 PolarHBondContact N-O 3Å; R291-V347 HydrophobicContact CG-CG2 4.07Å; I341-V347 HydrophobicContact CG2-CG1 4.26Å; I341-V347 WeakPolarHBondContact O-CG2 3.46Å; F342-V347 HydrophobicContact CD1-CG1 4.31Å; F342-V347 HydrophobicContact CD1-CG2 4.36Å; F342-V347 HydrophobicContact CE1-CG1 4.14Å; V347-V349 HydrophobicContact CG1-CG2 4.44Å | ||
| 348 | Y | 92.1 | Very high | 90.4 | Very high | 61 Ų | 61 | 92.4 Ų | 92.4 | 24% | 0.239 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.8 | 177.8 | -60.2 | -69.6 | 0 | 0 | 0 | 108.7 | V279 M284 M285 | V279-Y348 HydrophobicContact CB-CE1 4.35Å; V279-Y348 HydrophobicContact CG1-CD1 4.18Å; V279-Y348 HydrophobicContact CG1-CE1 4.3Å; V279-Y348 HydrophobicContact CG2-CD1 4.41Å; V279-Y348 HydrophobicContact CG2-CE1 3.71Å; M284-Y348 CarbonylContact O-C 3.57Å; M284-Y348 WeakPolarHBondContact O-CA 3.42Å; M285-Y348 HydrophobicContact CB-CD1 3.99Å; M285-Y348 HydrophobicContact CB-CE1 3.84Å; M285-Y348 HydrophobicContact CG-CD1 4.32Å; M285-Y348 HydrophobicContact CG-CE1 3.96Å |
| 349 | V | 91.9 | Very high | 90 | Very high | 67 Ų | 67 | 96.9 Ų | 96.9 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.9 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | H283 M284 L286 V347 | H283-V349 CarbonylContact C-O 3.54Å; H283-V349 VanDerWaalsContact CA-O 3.26Å; H283-V349 WeakPolarHBondContact CA-O 3.26Å; M284-V349 PolarHBondContact N-O 3.01Å; M284-V349 PolarHBondContact O-N 2.84Å; L286-V349 HydrophobicContact CB-CG2 4.12Å; L286-V349 HydrophobicContact CD1-CG2 4.2Å; L286-V349 HydrophobicContact CD2-CG2 4.34Å; L286-V349 HydrophobicContact CG-CG2 4.47Å; V347-V349 HydrophobicContact CG1-CG2 4.44Å |
| 350 | K | 92.3 | Very high | 89.5 | Confident | 139 Ų | 139 | 101.6 Ų | 101.6 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 131.4 | 175.9 | -171.7 | -177.1 | 176.2 | -167.7 | 0 | 108.7 | D352 | K350-D352 PolarHBondContact O-N 2.69Å |
| 351 | V | 88.1 | Confident | 88.8 | Confident | 69 Ų | 69 | 98.5 Ų | 98.5 | 42% | 0.418 | 51% | 0.509 | S | S | . | . | trans | -83.5 | 113.3 | 176.7 | -164.2 | 0 | 0 | 0 | 0 | 107.3 | G282 M284 S353 | G282-V351 PolarHBondContact O-N 2.93Å; M284-V351 HydrophobicContact CB-CG2 3.72Å; V351-S353 PolarHBondContact O-N 3.23Å; V351-S353 VanDerWaalsContact O-N 3.11Å | ||
| 352 | D | 75.4 | Confident | 88.3 | Confident | 148 Ų | 148 | 99.8 Ų | 99.8 | 79% | 0.791 | 52% | 0.516 | S | S | * | . | trans | -69.8 | 106.8 | 172.9 | -65.5 | -32.8 | 0 | 0 | 0 | 107.6 | K350 | K350-D352 PolarHBondContact O-N 2.69Š| ||
| 353 | S | 57.2 | Low | 87.5 | Confident | 180 Ų | 180 | 105 Ų | 105 | 100% | 1.259 | 55% | 0.546 | S | S | * | . | trans | -97 | 0 | 176.7 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | V351 | V351-S353 PolarHBondContact O-N 3.23Å; V351-S353 VanDerWaalsContact O-N 3.11Å |
Retrieved 353 of 353 residues in 513.8 ms
(Link to these results)