| 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 | 55.2 | Low | 76 | Confident | 245 Ų | 245 | 139.1 Ų | 139.1 | 100% | 1.207 | 75% | 0.749 | S | S | * | * | 0 | 129.1 | 0 | -78.2 | 166.4 | 123.9 | 0 | 0 | 107.5 | |||||
| 2 | A | 71.7 | Confident | 74.9 | Confident | 81 Ų | 81 | 137.9 Ų | 137.9 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 124.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 3 | Q | 80.9 | Confident | 73.7 | Confident | 195 Ų | 195 | 139.7 Ų | 139.7 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -85 | 116.3 | 174.7 | -170.7 | 160.3 | 5.8 | 0 | 0 | 108.1 | ||
| 4 | Y | 81.5 | Confident | 72.7 | Confident | 201 Ų | 201 | 140.8 Ų | 140.8 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 145 | 173.9 | -68.9 | -80.4 | 0 | 0 | 0 | 109.7 | ||
| 5 | P | 78.4 | Confident | 71.6 | Confident | 103 Ų | 103 | 140.1 Ų | 140.1 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 140.2 | 174 | 25.7 | -32.4 | 0 | 0 | 0 | 110.2 | L7 | P5-L7 PolarHBondContact O-N 3.38Å; P5-L7 VanDerWaalsContact O-N 3.12Å |
| 6 | D | 81.7 | Confident | 70.7 | Confident | 116 Ų | 116 | 139.4 Ų | 139.4 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | trans | -71.3 | 105.5 | 177.1 | -175.3 | 6 | 0 | 0 | 0 | 109.8 | N8 G9 | D6-N8 PolarHBondContact O-N 2.94Å; D6-N8 WeakPolarHBondContact OD1-CB 3.35Å; D6-N8 PolarHBondContact OD1-N 3.17Å; D6-G9 PolarHBondContact O-N 3.36Å | ||
| 7 | L | 80.8 | Confident | 69.9 | Low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -10.9 | 177.6 | -61.6 | 176.5 | 0 | 0 | 0 | 113 | P5 | P5-L7 PolarHBondContact O-N 3.38Å; P5-L7 VanDerWaalsContact O-N 3.12Å |
| 8 | N | 82.4 | Confident | 69.6 | Low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 0.9 | 177.4 | -53.9 | -59.1 | 0 | 0 | 0 | 112.7 | D6 | D6-N8 PolarHBondContact O-N 2.94Å; D6-N8 WeakPolarHBondContact OD1-CB 3.35Å; D6-N8 PolarHBondContact OD1-N 3.17Å |
| 9 | G | 75.4 | Confident | 69.8 | Low | 25 Ų | 25 | 136.6 Ų | 136.6 | 26% | 0.258 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -64 | 153.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | D6 I11 | D6-G9 PolarHBondContact O-N 3.36Å; G9-I11 PolarHBondContact O-N 3.13Å |
| 10 | P | 76.6 | Confident | 70.6 | Confident | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -55.9 | 125.1 | 173.1 | 21 | -29.1 | 0 | 0 | 0 | 109.6 | T12 | P10-T12 PolarHBondContact O-N 3.29Š| ||
| 11 | I | 71.3 | Confident | 71.3 | Confident | 131 Ų | 131 | 134 Ų | 134 | 67% | 0.672 | 71% | 0.707 | S | S | * | * | trans | -65.3 | 106.3 | 175.7 | -60.1 | 171.7 | 0 | 0 | 0 | 107.2 | G9 F13 | G9-I11 PolarHBondContact O-N 3.13Å; I11-F13 HydrophobicContact CB-CE2 4.22Å; I11-F13 HydrophobicContact CB-CZ 4.42Å; I11-F13 HydrophobicContact CG2-CD1 4.27Å; I11-F13 HydrophobicContact CG2-CD2 4.15Å; I11-F13 HydrophobicContact CG2-CE1 3.97Å; I11-F13 HydrophobicContact CG2-CE2 3.84Å; I11-F13 HydrophobicContact CG2-CG 4.36Å; I11-F13 HydrophobicContact CG2-CZ 3.75Å; I11-F13 PolarHBondContact O-N 3.39Å; I11-F13 VanDerWaalsContact O-N 3.17Å | ||
| 12 | T | 63.1 | Low | 72.9 | Confident | 125 Ų | 125 | 128.1 Ų | 128.1 | 77% | 0.767 | 68% | 0.677 | S | S | * | * | trans | -74.7 | 101.8 | 166.3 | 51.5 | 0 | 0 | 0 | 0 | 107.4 | P10 E14 | P10-T12 PolarHBondContact O-N 3.29Å; T12-E14 PolarHBondContact O-N 3.34Å; T12-E14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | F | 59.6 | Low | 73.6 | Confident | 161 Ų | 161 | 129.3 Ų | 129.3 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -70.2 | 103.6 | 159.9 | -61.4 | -81.3 | 0 | 0 | 0 | 105.8 | I11 N15 | I11-F13 HydrophobicContact CB-CE2 4.22Å; I11-F13 HydrophobicContact CB-CZ 4.42Å; I11-F13 HydrophobicContact CG2-CD1 4.27Å; I11-F13 HydrophobicContact CG2-CD2 4.15Å; I11-F13 HydrophobicContact CG2-CE1 3.97Å; I11-F13 HydrophobicContact CG2-CE2 3.84Å; I11-F13 HydrophobicContact CG2-CG 4.36Å; I11-F13 HydrophobicContact CG2-CZ 3.75Å; I11-F13 PolarHBondContact O-N 3.39Å; I11-F13 VanDerWaalsContact O-N 3.17Å; F13-N15 VanDerWaalsContact C-N 3.31Å; F13-N15 PolarHBondContact O-N 3.14Å | ||
| 14 | E | 59.5 | Low | 74.1 | Confident | 155 Ų | 155 | 124 Ų | 124 | 72% | 0.724 | 65% | 0.646 | S | S | * | * | trans | -56.8 | 108.4 | 156.5 | -79.8 | -179.6 | 167.7 | 0 | 0 | 105.2 | T12 N16 | T12-E14 PolarHBondContact O-N 3.34Å; T12-E14 VanDerWaalsContact O-N 3.14Å; E14-N16 PolarHBondContact O-N 2.99Å | ||
| 15 | N | 55.9 | Low | 74.7 | Confident | 131 Ų | 131 | 121.8 Ų | 121.8 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | -63.9 | 81.7 | 169 | -81.8 | -10.7 | 0 | 0 | 0 | 106.7 | F13 E17 | F13-N15 VanDerWaalsContact C-N 3.31Å; F13-N15 PolarHBondContact O-N 3.14Å; N15-E17 PolarHBondContact O-N 3.14Å | ||
| 16 | N | 56.7 | Low | 75.4 | Confident | 128 Ų | 128 | 118.6 Ų | 118.6 | 68% | 0.684 | 63% | 0.626 | S | S | * | * | trans | -73.2 | 55.1 | 162.8 | -76.8 | -23.7 | 0 | 0 | 0 | 107.9 | E14 K18 | E14-N16 PolarHBondContact O-N 2.99Å; N16-K18 PolarHBondContact O-N 2.89Å | ||
| 17 | E | 57.9 | Low | 76 | Confident | 163 Ų | 163 | 117.6 Ų | 117.6 | 76% | 0.762 | 62% | 0.618 | S | S | * | * | trans | -67.1 | 84.2 | 154.5 | -70 | -174.7 | -176.5 | 0 | 0 | 104.8 | N15 S19 | N15-E17 PolarHBondContact O-N 3.14Å; E17-S19 PolarHBondContact O-N 3.49Å | ||
| 18 | K | 64.2 | Low | 76.8 | Confident | 144 Ų | 144 | 114.7 Ų | 114.7 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | trans | -49.8 | 117.9 | 165.2 | -68.5 | -176.3 | 177.5 | -170.7 | 0 | 105.1 | N16 V20 | N16-K18 PolarHBondContact O-N 2.89Å; K18-V20 PolarHBondContact O-N 3.32Å | ||
| 19 | S | 73.5 | Confident | 77.4 | Confident | 58 Ų | 58 | 113.1 Ų | 113.1 | 41% | 0.406 | 59% | 0.59 | S | S | . | * | trans | -51.5 | 141.8 | 177.2 | 178 | 0 | 0 | 0 | 0 | 107.5 | E17 D21 E22 E23 | E17-S19 PolarHBondContact O-N 3.49Å; S19-D21 PolarHBondContact O-N 3.35Å; S19-D21 PolarHBondContact OG-N 3.28Å; S19-D21 PolarHBondContact OG-OD2 3.44Å; S19-E22 WeakPolarHBondContact O-CA 3.48Å; S19-E22 WeakPolarHBondContact O-CB 3.49Å; S19-E22 PolarHBondContact O-N 2.98Å; S19-E23 PolarHBondContact O-N 3.4Å | ||
| 20 | V | 86.7 | Confident | 78.3 | Confident | 101 Ų | 101 | 114.6 Ų | 114.6 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -47.9 | -34.5 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | K18 E23 L24 | K18-V20 PolarHBondContact O-N 3.32Å; V20-E23 PolarHBondContact O-N 2.9Å; V20-L24 HydrophobicContact CG1-CD1 3.88Å; V20-L24 HydrophobicContact CG1-CG 4.3Å; V20-L24 WeakPolarHBondContact O-CB 3.44Å; V20-L24 WeakPolarHBondContact O-CG 3.44Å; V20-L24 PolarHBondContact O-N 3.05Å |
| 21 | D | 85.3 | Confident | 79.3 | Confident | 117 Ų | 117 | 112.7 Ų | 112.7 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65 | -40.9 | 175.9 | -56.2 | -35.5 | 0 | 0 | 0 | 113.5 | S19 K25 | S19-D21 PolarHBondContact O-N 3.35Å; S19-D21 PolarHBondContact OG-N 3.28Å; S19-D21 PolarHBondContact OG-OD2 3.44Å; D21-K25 VanDerWaalsContact O-CB 3.24Å; D21-K25 WeakPolarHBondContact O-CB 3.43Å; D21-K25 PolarHBondContact O-N 3.04Å |
| 22 | E | 87.6 | Confident | 80.4 | Confident | 122 Ų | 122 | 111.9 Ų | 111.9 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.5 | -40.2 | 178.4 | -170.2 | -177.9 | -175.2 | 0 | 0 | 110.8 | S19 K25 G26 | S19-E22 WeakPolarHBondContact O-CA 3.48Å; S19-E22 WeakPolarHBondContact O-CB 3.49Å; S19-E22 PolarHBondContact O-N 2.98Å; E22-K25 PolarHBondContact O-N 2.93Å; E22-G26 PolarHBondContact O-N 3.4Å |
| 23 | E | 87 | Confident | 81.9 | Confident | 106 Ų | 106 | 111 Ų | 111 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -50.1 | 173.5 | -175 | -179.9 | 174.6 | 0 | 0 | 111.1 | S19 V20 K25 G26 Q27 | S19-E23 PolarHBondContact O-N 3.4Å; V20-E23 PolarHBondContact O-N 2.9Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.28Å; E23-G26 PolarHBondContact O-N 2.93Å; E23-Q27 WeakPolarHBondContact O-CG 3.39Å; E23-Q27 PolarHBondContact O-N 3.02Å; E23-Q27 PolarHBondContact OE1-NE2 2.93Å |
| 24 | L | 92 | Very high | 83.6 | Confident | 84 Ų | 84 | 111.3 Ų | 111.3 | 44% | 0.44 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.4 | -44.2 | 177.8 | -74.8 | 172.8 | 0 | 0 | 0 | 111.5 | V20 G26 Q27 I28 | V20-L24 HydrophobicContact CG1-CD1 3.88Å; V20-L24 HydrophobicContact CG1-CG 4.3Å; V20-L24 WeakPolarHBondContact O-CB 3.44Å; V20-L24 WeakPolarHBondContact O-CG 3.44Å; V20-L24 PolarHBondContact O-N 3.05Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-G26 PolarHBondContact O-N 3.39Å; L24-Q27 PolarHBondContact O-N 3.43Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.29Å; L24-I28 PolarHBondContact O-N 2.88Å |
| 25 | K | 93 | Very high | 85.2 | Confident | 154 Ų | 154 | 108.9 Ų | 108.9 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.6 | -44.4 | 176.1 | -174.5 | 176.4 | -178.3 | 176.8 | 0 | 111.7 | D21 E22 E23 I28 Q29 | D21-K25 VanDerWaalsContact O-CB 3.24Å; D21-K25 WeakPolarHBondContact O-CB 3.43Å; D21-K25 PolarHBondContact O-N 3.04Å; E22-K25 PolarHBondContact O-N 2.93Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.28Å; K25-I28 PolarHBondContact O-N 3.14Å; K25-Q29 WeakPolarHBondContact O-CB 3.35Å; K25-Q29 PolarHBondContact O-N 3Å |
| 26 | G | 93.4 | Very high | 87 | Confident | 36 Ų | 36 | 107 Ų | 107 | 37% | 0.371 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E22 E23 L24 A30 | E22-G26 PolarHBondContact O-N 3.4Å; E23-G26 PolarHBondContact O-N 2.93Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-G26 PolarHBondContact O-N 3.39Å; G26-A30 WeakPolarHBondContact O-CB 3.43Å; G26-A30 PolarHBondContact O-N 3.35Å |
| 27 | Q | 95.3 | Very high | 88.7 | Confident | 96 Ų | 96 | 105.8 Ų | 105.8 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 176.2 | -69.7 | -177.1 | 29 | 0 | 0 | 112.4 | E23 L24 A30 N31 | E23-Q27 WeakPolarHBondContact O-CG 3.39Å; E23-Q27 PolarHBondContact O-N 3.02Å; E23-Q27 PolarHBondContact OE1-NE2 2.93Å; L24-Q27 PolarHBondContact O-N 3.43Å; Q27-A30 PolarHBondContact O-N 3.07Å; Q27-N31 PolarHBondContact O-N 3.25Å; Q27-N31 PolarHBondContact O-ND2 3.21Å |
| 28 | I | 95.7 | Very high | 90.4 | Very high | 97 Ų | 97 | 102.1 Ų | 102.1 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -51.7 | 175.3 | -70.5 | 164.6 | 0 | 0 | 0 | 109.7 | L24 K25 A30 N31 E32 | L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.29Å; L24-I28 PolarHBondContact O-N 2.88Å; K25-I28 PolarHBondContact O-N 3.14Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.34Å; I28-N31 WeakPolarHBondContact O-CB 3.43Å; I28-N31 PolarHBondContact O-N 3.37Å; I28-E32 HydrophobicContact CG2-CG 4.45Å; I28-E32 WeakPolarHBondContact O-CG 3.47Å; I28-E32 PolarHBondContact O-N 3.47Å |
| 29 | Q | 95.8 | Very high | 91.8 | Very high | 117 Ų | 117 | 99.8 Ų | 99.8 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59 | -40.8 | 179.2 | -170.8 | -178.6 | 11.8 | 0 | 0 | 112.1 | K25 N31 E32 L33 | K25-Q29 WeakPolarHBondContact O-CB 3.35Å; K25-Q29 PolarHBondContact O-N 3Å; Q29-N31 VanDerWaalsContact C-N 3.33Å; Q29-N31 PolarHBondContact O-N 3.29Å; Q29-E32 PolarHBondContact O-N 3.22Å; Q29-L33 WeakPolarHBondContact O-CG 3.42Å; Q29-L33 PolarHBondContact O-N 3.04Å; Q29-L33 VanDerWaalsContact O-N 3.15Å |
| 30 | A | 94 | Very high | 92.7 | Very high | 55 Ų | 55 | 101.1 Ų | 101.1 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G26 Q27 I28 R34 | G26-A30 WeakPolarHBondContact O-CB 3.43Å; G26-A30 PolarHBondContact O-N 3.35Å; Q27-A30 PolarHBondContact O-N 3.07Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.34Å; A30-R34 WeakPolarHBondContact O-CB 3.39Å; A30-R34 PolarHBondContact O-N 3.35Å |
| 31 | N | 97.5 | Very high | 93.1 | Very high | 85 Ų | 85 | 101.6 Ų | 101.6 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 177 | -75.6 | -28.1 | 0 | 0 | 0 | 112.4 | Q27 I28 Q29 L33 R34 I35 | Q27-N31 PolarHBondContact O-N 3.25Å; Q27-N31 PolarHBondContact O-ND2 3.21Å; I28-N31 WeakPolarHBondContact O-CB 3.43Å; I28-N31 PolarHBondContact O-N 3.37Å; Q29-N31 VanDerWaalsContact C-N 3.33Å; Q29-N31 PolarHBondContact O-N 3.29Å; N31-L33 PolarHBondContact O-N 3.02Å; N31-R34 WeakPolarHBondContact O-CB 3.4Å; N31-R34 PolarHBondContact O-N 2.77Å; N31-I35 VanDerWaalsContact O-CG1 3.3Å; N31-I35 WeakPolarHBondContact O-CG1 3.38Å; N31-I35 PolarHBondContact O-N 2.96Å |
| 32 | E | 94.2 | Very high | 93.4 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 173.9 | -71 | 173.1 | 167.3 | 0 | 0 | 111.9 | I28 Q29 R34 I35 T36 | I28-E32 HydrophobicContact CG2-CG 4.45Å; I28-E32 WeakPolarHBondContact O-CG 3.47Å; I28-E32 PolarHBondContact O-N 3.47Å; Q29-E32 PolarHBondContact O-N 3.22Å; E32-R34 VanDerWaalsContact C-N 3.33Å; E32-R34 PolarHBondContact O-N 3.26Å; E32-I35 PolarHBondContact O-N 3.39Å; E32-T36 PolarHBondContact O-N 2.95Å; E32-T36 PolarHBondContact O-OG1 2.92Å |
| 33 | L | 95.5 | Very high | 93.6 | Very high | 108 Ų | 108 | 99.5 Ų | 99.5 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 175.4 | -70.3 | 172.9 | 0 | 0 | 0 | 111.5 | Q29 N31 T36 L37 | Q29-L33 WeakPolarHBondContact O-CG 3.42Å; Q29-L33 PolarHBondContact O-N 3.04Å; Q29-L33 VanDerWaalsContact O-N 3.15Å; N31-L33 PolarHBondContact O-N 3.02Å; L33-T36 PolarHBondContact O-N 3.07Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.06Å |
| 34 | R | 94.6 | Very high | 93.7 | Very high | 166 Ų | 166 | 102 Ų | 102 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | 176.4 | -175.5 | 178.9 | 179.7 | 179.1 | -0.1 | 111.9 | A30 N31 E32 T36 L37 L38 | A30-R34 WeakPolarHBondContact O-CB 3.39Å; A30-R34 PolarHBondContact O-N 3.35Å; N31-R34 WeakPolarHBondContact O-CB 3.4Å; N31-R34 PolarHBondContact O-N 2.77Å; E32-R34 VanDerWaalsContact C-N 3.33Å; E32-R34 PolarHBondContact O-N 3.26Å; R34-T36 VanDerWaalsContact C-N 3.35Å; R34-L37 PolarHBondContact O-N 3.46Å; R34-L38 HydrophobicContact CG-CD1 4.35Å; R34-L38 WeakPolarHBondContact O-CG 3.43Å; R34-L38 PolarHBondContact O-N 2.86Å; R34-L38 VanDerWaalsContact O-N 3.08Å |
| 35 | I | 93.2 | Very high | 93.8 | Very high | 105 Ų | 105 | 104 Ų | 104 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.2 | -70.3 | 164.9 | 0 | 0 | 0 | 110.1 | N31 E32 L37 L38 V39 | N31-I35 VanDerWaalsContact O-CG1 3.3Å; N31-I35 WeakPolarHBondContact O-CG1 3.38Å; N31-I35 PolarHBondContact O-N 2.96Å; E32-I35 PolarHBondContact O-N 3.39Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 2.87Å; I35-L38 PolarHBondContact O-N 3.04Å; I35-L38 VanDerWaalsContact O-N 3.13Å; I35-V39 HydrophobicContact CG2-CG2 4.32Å; I35-V39 WeakPolarHBondContact O-CG2 3.4Å; I35-V39 PolarHBondContact O-N 3.43Å |
| 36 | T | 93 | Very high | 93.8 | Very high | 91 Ų | 91 | 103.6 Ų | 103.6 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.4 | -45.8 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | E32 L33 R34 L38 V39 E40 | E32-T36 PolarHBondContact O-N 2.95Å; E32-T36 PolarHBondContact O-OG1 2.92Å; L33-T36 PolarHBondContact O-N 3.07Å; R34-T36 VanDerWaalsContact C-N 3.35Å; T36-L38 PolarHBondContact O-N 3.22Å; T36-V39 PolarHBondContact O-N 3.44Å; T36-E40 PolarHBondContact O-N 3.18Å |
| 37 | L | 94 | Very high | 93.6 | Very high | 103 Ų | 103 | 106 Ų | 106 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.5 | -74 | 167.4 | 0 | 0 | 0 | 112.4 | L33 R34 I35 E40 Q41 | L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.06Å; R34-L37 PolarHBondContact O-N 3.46Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 2.87Å; L37-E40 PolarHBondContact O-N 3.21Å; L37-Q41 WeakPolarHBondContact O-CG 3.37Å; L37-Q41 PolarHBondContact O-N 3.34Å |
| 38 | L | 93.9 | Very high | 93.2 | Very high | 86 Ų | 86 | 103.7 Ų | 103.7 | 45% | 0.45 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 178.4 | -72.2 | 171.3 | 0 | 0 | 0 | 112.1 | R34 I35 T36 Q41 T42 | R34-L38 HydrophobicContact CG-CD1 4.35Å; R34-L38 WeakPolarHBondContact O-CG 3.43Å; R34-L38 PolarHBondContact O-N 2.86Å; R34-L38 VanDerWaalsContact O-N 3.08Å; I35-L38 PolarHBondContact O-N 3.04Å; I35-L38 VanDerWaalsContact O-N 3.13Å; T36-L38 PolarHBondContact O-N 3.22Å; L38-Q41 PolarHBondContact O-N 3.35Å; L38-T42 WeakPolarHBondContact O-CB 3.49Å; L38-T42 PolarHBondContact O-N 2.95Å; L38-T42 PolarHBondContact O-OG1 3.35Å |
| 39 | V | 93.1 | Very high | 92.9 | Very high | 94 Ų | 94 | 104 Ų | 104 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | I35 T36 T42 K43 | I35-V39 HydrophobicContact CG2-CG2 4.32Å; I35-V39 WeakPolarHBondContact O-CG2 3.4Å; I35-V39 PolarHBondContact O-N 3.43Å; T36-V39 PolarHBondContact O-N 3.44Å; V39-T42 PolarHBondContact O-N 2.82Å; V39-K43 PolarHBondContact O-N 3.49Å |
| 40 | E | 92.2 | Very high | 92.4 | Very high | 87 Ų | 87 | 103.1 Ų | 103.1 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.9 | -160.7 | -165.2 | 165.5 | 0 | 0 | 112.2 | T36 L37 T42 K43 R44 | T36-E40 PolarHBondContact O-N 3.18Å; L37-E40 PolarHBondContact O-N 3.21Å; E40-T42 VanDerWaalsContact C-N 3.33Å; E40-T42 PolarHBondContact O-N 2.79Å; E40-K43 WeakPolarHBondContact O-CB 3.46Å; E40-K43 PolarHBondContact O-N 2.92Å; E40-R44 WeakPolarHBondContact O-CG 3.46Å; E40-R44 PolarHBondContact O-N 3.46Å; E40-R44 IonicContact OE1-CZ 3.36Å; E40-R44 IonicContact OE1-NE 3.29Å; E40-R44 PolarHBondContact OE1-NE 3.17Å; E40-R44 IonicContact OE1-NH2 2.66Å; E40-R44 PolarHBondContact OE1-NH2 2.99Å; E40-R44 IonicContact OE2-NH2 3.78Å |
| 41 | Q | 94.6 | Very high | 91.9 | Very high | 110 Ų | 110 | 105.1 Ų | 105.1 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 174.7 | -74.8 | 178.4 | -10.3 | 0 | 0 | 111.6 | L37 L38 K43 R44 L45 | L37-Q41 WeakPolarHBondContact O-CG 3.37Å; L37-Q41 PolarHBondContact O-N 3.34Å; L38-Q41 PolarHBondContact O-N 3.35Å; Q41-K43 VanDerWaalsContact C-N 3.31Å; Q41-K43 PolarHBondContact O-N 3.34Å; Q41-R44 PolarHBondContact O-N 3.44Å; Q41-L45 WeakPolarHBondContact O-CG 3.3Å; Q41-L45 PolarHBondContact O-N 3.41Å |
| 42 | T | 93 | Very high | 91.3 | Very high | 60 Ų | 60 | 106.2 Ų | 106.2 | 37% | 0.368 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | L38 V39 E40 R44 L45 R46 | L38-T42 WeakPolarHBondContact O-CB 3.49Å; L38-T42 PolarHBondContact O-N 2.95Å; L38-T42 PolarHBondContact O-OG1 3.35Å; V39-T42 PolarHBondContact O-N 2.82Å; E40-T42 VanDerWaalsContact C-N 3.33Å; E40-T42 PolarHBondContact O-N 2.79Å; T42-R44 PolarHBondContact O-N 2.95Å; T42-L45 PolarHBondContact O-N 3.44Å; T42-R46 WeakPolarHBondContact O-CG 3.48Å; T42-R46 PolarHBondContact O-N 2.66Å |
| 43 | K | 91.7 | Very high | 90.7 | Very high | 136 Ų | 136 | 103.1 Ų | 103.1 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 175.3 | -174.7 | 178.6 | -179.7 | 177.6 | 0 | 111.9 | V39 E40 Q41 R46 N47 | V39-K43 PolarHBondContact O-N 3.49Å; E40-K43 WeakPolarHBondContact O-CB 3.46Å; E40-K43 PolarHBondContact O-N 2.92Å; Q41-K43 VanDerWaalsContact C-N 3.31Å; Q41-K43 PolarHBondContact O-N 3.34Å; K43-R46 PolarHBondContact O-N 3.29Å; K43-N47 VanDerWaalsContact O-CG 3.31Å; K43-N47 PolarHBondContact O-N 3.3Å |
| 44 | R | 88.5 | Confident | 89.8 | Confident | 158 Ų | 158 | 102.7 Ų | 102.7 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 177.3 | -68 | 175 | -173.6 | -167.3 | 3.4 | 111.9 | E40 Q41 T42 N47 A48 | E40-R44 WeakPolarHBondContact O-CG 3.46Å; E40-R44 PolarHBondContact O-N 3.46Å; E40-R44 IonicContact OE1-CZ 3.36Å; E40-R44 IonicContact OE1-NE 3.29Å; E40-R44 PolarHBondContact OE1-NE 3.17Å; E40-R44 IonicContact OE1-NH2 2.66Å; E40-R44 PolarHBondContact OE1-NH2 2.99Å; E40-R44 IonicContact OE2-NH2 3.78Å; Q41-R44 PolarHBondContact O-N 3.44Å; T42-R44 PolarHBondContact O-N 2.95Å; R44-N47 PolarHBondContact O-N 2.94Å; R44-A48 PolarHBondContact O-N 2.94Å |
| 45 | L | 94.8 | Very high | 88.9 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 177.2 | -70.9 | 174.3 | 0 | 0 | 0 | 112.1 | Q41 T42 N47 A48 L49 | Q41-L45 WeakPolarHBondContact O-CG 3.3Å; Q41-L45 PolarHBondContact O-N 3.41Å; T42-L45 PolarHBondContact O-N 3.44Å; L45-N47 VanDerWaalsContact C-N 3.34Å; L45-N47 PolarHBondContact O-N 3.22Å; L45-A48 PolarHBondContact O-N 2.97Å; L45-L49 PolarHBondContact O-N 3.03Å |
| 46 | R | 91.2 | Very high | 87.9 | Confident | 146 Ų | 146 | 101.6 Ų | 101.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 174.3 | -74.4 | 177.9 | -179.9 | 160 | -0 | 111.7 | T42 K43 A48 L49 L50 | T42-R46 WeakPolarHBondContact O-CG 3.48Å; T42-R46 PolarHBondContact O-N 2.66Å; K43-R46 PolarHBondContact O-N 3.29Å; R46-A48 VanDerWaalsContact C-N 3.35Å; R46-A48 PolarHBondContact O-N 3.12Å; R46-L49 WeakPolarHBondContact O-CB 3.43Å; R46-L49 PolarHBondContact O-N 3.08Å; R46-L50 WeakPolarHBondContact O-CG 3.37Å; R46-L50 PolarHBondContact O-N 3.39Å |
| 47 | N | 89.6 | Confident | 86.5 | Confident | 87 Ų | 87 | 101.8 Ų | 101.8 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 175.8 | -71 | -7.9 | 0 | 0 | 0 | 112.2 | K43 R44 L45 L49 L50 V51 | K43-N47 VanDerWaalsContact O-CG 3.31Å; K43-N47 PolarHBondContact O-N 3.3Å; R44-N47 PolarHBondContact O-N 2.94Å; L45-N47 VanDerWaalsContact C-N 3.34Å; L45-N47 PolarHBondContact O-N 3.22Å; N47-L49 VanDerWaalsContact C-N 3.34Å; N47-L50 PolarHBondContact O-N 3.32Å; N47-V51 WeakPolarHBondContact O-CG2 3.43Å; N47-V51 PolarHBondContact O-N 3.1Å; N47-V51 VanDerWaalsContact O-N 3.07Å |
| 48 | A | 87.4 | Confident | 85.1 | Confident | 47 Ų | 47 | 102.4 Ų | 102.4 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | R44 L45 R46 V51 I52 | R44-A48 PolarHBondContact O-N 2.94Å; L45-A48 PolarHBondContact O-N 2.97Å; R46-A48 VanDerWaalsContact C-N 3.35Å; R46-A48 PolarHBondContact O-N 3.12Å; A48-V51 PolarHBondContact O-N 2.8Å; A48-I52 VanDerWaalsContact O-CG1 3.29Å; A48-I52 WeakPolarHBondContact O-CG1 3.28Å; A48-I52 PolarHBondContact O-N 3.07Å |
| 49 | L | 88.5 | Confident | 83.5 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 175 | -170.7 | 81.3 | 0 | 0 | 0 | 111.5 | L45 R46 N47 I52 N53 | L45-L49 PolarHBondContact O-N 3.03Å; R46-L49 WeakPolarHBondContact O-CB 3.43Å; R46-L49 PolarHBondContact O-N 3.08Å; N47-L49 VanDerWaalsContact C-N 3.34Å; L49-I52 PolarHBondContact O-N 3.5Å; L49-N53 WeakPolarHBondContact O-CB 3.35Å; L49-N53 PolarHBondContact O-N 3.13Å |
| 50 | L | 86.2 | Confident | 81.8 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 176 | -68.2 | 173.2 | 0 | 0 | 0 | 111.4 | R46 N47 I52 N53 D54 | R46-L50 WeakPolarHBondContact O-CG 3.37Å; R46-L50 PolarHBondContact O-N 3.39Å; N47-L50 PolarHBondContact O-N 3.32Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.37Å; L50-N53 PolarHBondContact O-N 2.93Å; L50-N53 VanDerWaalsContact O-N 3.14Å; L50-D54 PolarHBondContact O-N 3.36Å |
| 51 | V | 83.9 | Confident | 80 | Confident | 97 Ų | 97 | 104.8 Ų | 104.8 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -39.7 | 178 | 172.4 | 0 | 0 | 0 | 0 | 112.2 | N47 A48 K55 | N47-V51 WeakPolarHBondContact O-CG2 3.43Å; N47-V51 PolarHBondContact O-N 3.1Å; N47-V51 VanDerWaalsContact O-N 3.07Å; A48-V51 PolarHBondContact O-N 2.8Å; V51-K55 WeakPolarHBondContact O-CB 3.44Å; V51-K55 PolarHBondContact O-N 3.03Å; V51-K55 VanDerWaalsContact O-N 3.07Å |
| 52 | I | 83.6 | Confident | 78.1 | Confident | 107 Ų | 107 | 105.9 Ų | 105.9 | 55% | 0.549 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 176.2 | -69.5 | 165.5 | 0 | 0 | 0 | 110.6 | A48 L49 L50 K55 R56 | A48-I52 VanDerWaalsContact O-CG1 3.29Å; A48-I52 WeakPolarHBondContact O-CG1 3.28Å; A48-I52 PolarHBondContact O-N 3.07Å; L49-I52 PolarHBondContact O-N 3.5Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.37Å; I52-K55 PolarHBondContact O-N 2.92Å; I52-R56 WeakPolarHBondContact O-CB 3.49Å; I52-R56 PolarHBondContact O-N 3.03Å |
| 53 | N | 82.1 | Confident | 76.2 | Confident | 49 Ų | 49 | 110.5 Ų | 110.5 | 26% | 0.262 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 179.1 | -75.9 | -20.6 | 0 | 0 | 0 | 111.7 | L49 L50 K55 R56 Q57 | L49-N53 WeakPolarHBondContact O-CB 3.35Å; L49-N53 PolarHBondContact O-N 3.13Å; L50-N53 PolarHBondContact O-N 2.93Å; L50-N53 VanDerWaalsContact O-N 3.14Å; N53-K55 VanDerWaalsContact C-N 3.31Å; N53-K55 PolarHBondContact O-N 3.07Å; N53-R56 WeakPolarHBondContact O-CB 3.21Å; N53-R56 PolarHBondContact O-N 2.92Å; N53-R56 VanDerWaalsContact O-N 3.14Å; N53-R56 PolarHBondContact OD1-NH2 2.91Å; N53-Q57 WeakPolarHBondContact O-CG 3.35Å; N53-Q57 PolarHBondContact O-N 3.4Å |
| 54 | D | 77.1 | Confident | 73.8 | Confident | 99 Ų | 99 | 110.7 Ų | 110.7 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.4 | -42.9 | 175.6 | -68.7 | -16.9 | 0 | 0 | 0 | 111.3 | L50 R56 Q57 N58 | L50-D54 PolarHBondContact O-N 3.36Å; D54-R56 PolarHBondContact O-N 3.36Å; D54-Q57 PolarHBondContact O-N 3.49Å; D54-N58 WeakPolarHBondContact O-CB 3.24Å; D54-N58 PolarHBondContact O-N 2.88Å; D54-N58 PolarHBondContact O-ND2 3.06Å |
| 55 | K | 76 | Confident | 71.6 | Confident | 135 Ų | 135 | 110.2 Ų | 110.2 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.4 | -38 | 176.5 | -170.4 | 177.4 | 179 | -175.9 | 0 | 112.1 | V51 I52 N53 N58 M59 | V51-K55 WeakPolarHBondContact O-CB 3.44Å; V51-K55 PolarHBondContact O-N 3.03Å; V51-K55 VanDerWaalsContact O-N 3.07Å; I52-K55 PolarHBondContact O-N 2.92Å; N53-K55 VanDerWaalsContact C-N 3.31Å; N53-K55 PolarHBondContact O-N 3.07Å; K55-N58 PolarHBondContact O-N 3.23Å; K55-M59 HydrophobicContact CG-CE 4.26Å; K55-M59 WeakPolarHBondContact O-CG 3.49Å; K55-M59 PolarHBondContact O-N 3.03Å |
| 56 | R | 71.5 | Confident | 68.9 | Low | 113 Ų | 113 | 113.4 Ų | 113.4 | 43% | 0.426 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.6 | -42.9 | 176.3 | -172.6 | 177.8 | 65.1 | -173.8 | -0.6 | 111.2 | I52 N53 D54 M59 N60 | I52-R56 WeakPolarHBondContact O-CB 3.49Å; I52-R56 PolarHBondContact O-N 3.03Å; N53-R56 WeakPolarHBondContact O-CB 3.21Å; N53-R56 PolarHBondContact O-N 2.92Å; N53-R56 VanDerWaalsContact O-N 3.14Å; N53-R56 PolarHBondContact OD1-NH2 2.91Å; D54-R56 PolarHBondContact O-N 3.36Å; R56-M59 PolarHBondContact O-N 3.47Å; R56-N60 WeakPolarHBondContact O-CB 3.48Å; R56-N60 PolarHBondContact O-N 3.33Å |
| 57 | Q | 64.4 | Low | 66.9 | Low | 96 Ų | 96 | 112.4 Ų | 112.4 | 45% | 0.449 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63 | -42.7 | 175.2 | -64.8 | -60.4 | -10.9 | 0 | 0 | 111.6 | N53 D54 M59 N60 N61 | N53-Q57 WeakPolarHBondContact O-CG 3.35Å; N53-Q57 PolarHBondContact O-N 3.4Å; D54-Q57 PolarHBondContact O-N 3.49Å; Q57-M59 VanDerWaalsContact C-N 3.29Å; Q57-M59 PolarHBondContact O-N 3Å; Q57-N60 PolarHBondContact O-N 3.33Å; Q57-N61 WeakPolarHBondContact O-CB 3.45Å; Q57-N61 VanDerWaalsContact O-CG 3.29Å; Q57-N61 PolarHBondContact O-N 3.06Å |
| 58 | N | 63.8 | Low | 64.6 | Low | 115 Ų | 115 | 117.4 Ų | 117.4 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.5 | -29.5 | 177.3 | -70.6 | -22.4 | 0 | 0 | 0 | 113.4 | D54 K55 | D54-N58 WeakPolarHBondContact O-CB 3.24Å; D54-N58 PolarHBondContact O-N 2.88Å; D54-N58 PolarHBondContact O-ND2 3.06Å; K55-N58 PolarHBondContact O-N 3.23Å |
| 59 | M | 60.6 | Low | 62.6 | Low | 114 Ų | 114 | 121.9 Ų | 121.9 | 56% | 0.562 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -80.5 | -39 | 174.4 | -69.9 | -172.9 | -55.6 | 0 | 0 | 112.2 | K55 R56 Q57 N62 | K55-M59 HydrophobicContact CG-CE 4.26Å; K55-M59 WeakPolarHBondContact O-CG 3.49Å; K55-M59 PolarHBondContact O-N 3.03Å; R56-M59 PolarHBondContact O-N 3.47Å; Q57-M59 VanDerWaalsContact C-N 3.29Å; Q57-M59 PolarHBondContact O-N 3Å; M59-N62 PolarHBondContact O-N 2.98Å |
| 60 | N | 56.6 | Low | 60.6 | Low | 72 Ų | 72 | 125.8 Ų | 125.8 | 39% | 0.385 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.7 | -33.4 | 179 | -79.4 | 6.2 | 0 | 0 | 0 | 112.7 | R56 Q57 N62 H63 | R56-N60 WeakPolarHBondContact O-CB 3.48Å; R56-N60 PolarHBondContact O-N 3.33Å; Q57-N60 PolarHBondContact O-N 3.33Å; N60-N62 PolarHBondContact O-N 3.47Å; N60-N62 VanDerWaalsContact O-N 3.13Å; N60-H63 PolarHBondContact O-N 2.93Å |
| 61 | N | 55.2 | Low | 58.9 | Low | 131 Ų | 131 | 129.5 Ų | 129.5 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -10 | 177 | -72.6 | -11.3 | 0 | 0 | 0 | 113.9 | Q57 | Q57-N61 WeakPolarHBondContact O-CB 3.45Å; Q57-N61 VanDerWaalsContact O-CG 3.29Å; Q57-N61 PolarHBondContact O-N 3.06Å |
| 62 | N | 55.1 | Low | 57.2 | Low | 133 Ų | 133 | 132.9 Ų | 132.9 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -3.9 | -178.4 | -121.7 | -5.2 | 0 | 0 | 0 | 113.6 | M59 N60 | M59-N62 PolarHBondContact O-N 2.98Å; N60-N62 PolarHBondContact O-N 3.47Å; N60-N62 VanDerWaalsContact O-N 3.13Å |
| 63 | H | 51.4 | Low | 55.2 | Low | 157 Ų | 157 | 134.4 Ų | 134.4 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -135.3 | 90.2 | 178.3 | -80.4 | 30.9 | 0 | 0 | 0 | 109.2 | N60 | N60-H63 PolarHBondContact O-N 2.93Š|
| 64 | N | 41.2 | Very low | 53.6 | Low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | trans | 34.9 | 115.1 | 146.7 | -56.3 | -22.3 | 0 | 0 | 0 | 118.3 | ||||
| 65 | N | 42.4 | Very low | 52 | Low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 64.4 | 112.7 | 139.5 | -55.2 | -16.3 | 0 | 0 | 0 | 117.8 | ||
| 66 | E | 39 | Very low | 50.6 | Low | 193 Ų | 193 | 140.1 Ų | 140.1 | 90% | 0.902 | 69% | 0.693 | S | S | * | * | trans | 68.9 | 78.1 | 142.5 | -151.4 | 171.3 | -138.2 | 0 | 0 | 116.9 | ||||
| 67 | I | 49 | Very low | 49.4 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 64% | 0.641 | 71% | 0.713 | S | S | * | * | trans | -133.6 | 104.3 | 154.6 | -54.5 | 179.5 | 0 | 0 | 0 | 109 | F69 | I67-F69 HydrophobicContact CB-CD2 4.45Å; I67-F69 HydrophobicContact CB-CE2 3.92Å; I67-F69 HydrophobicContact CB-CZ 4.45Å; I67-F69 HydrophobicContact CG2-CD2 3.89Å; I67-F69 HydrophobicContact CG2-CE1 4.16Å; I67-F69 HydrophobicContact CG2-CE2 3.38Å; I67-F69 HydrophobicContact CG2-CG 4.48Å; I67-F69 HydrophobicContact CG2-CZ 3.54Å; I67-F69 PolarHBondContact O-N 3.15Å | ||
| 68 | Q | 41.4 | Very low | 48.6 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | -63 | 116.4 | 164.9 | -75.8 | 175.8 | -8.3 | 0 | 0 | 108.8 | ||||
| 69 | F | 46.1 | Very low | 48.1 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 62% | 0.618 | 73% | 0.729 | S | S | * | * | trans | -101.5 | 114.9 | 164 | -74.1 | -77.9 | 0 | 0 | 0 | 108.3 | I67 E71 | I67-F69 HydrophobicContact CB-CD2 4.45Å; I67-F69 HydrophobicContact CB-CE2 3.92Å; I67-F69 HydrophobicContact CB-CZ 4.45Å; I67-F69 HydrophobicContact CG2-CD2 3.89Å; I67-F69 HydrophobicContact CG2-CE1 4.16Å; I67-F69 HydrophobicContact CG2-CE2 3.38Å; I67-F69 HydrophobicContact CG2-CG 4.48Å; I67-F69 HydrophobicContact CG2-CZ 3.54Å; I67-F69 PolarHBondContact O-N 3.15Å; F69-E71 PolarHBondContact O-N 3.18Å | ||
| 70 | M | 45.3 | Very low | 47.5 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 91% | 0.906 | 74% | 0.742 | S | S | * | * | trans | -53.5 | 127.5 | 170.3 | -73.2 | -89.9 | -75.8 | 0 | 0 | 109.5 | E72 | M70-E72 PolarHBondContact O-N 3.36Š| ||
| 71 | E | 50.7 | Low | 47.2 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -71.1 | 94.9 | 177.4 | -150.2 | 166.2 | -151.9 | 0 | 0 | 108.4 | F69 N73 | F69-E71 PolarHBondContact O-N 3.18Å; E71-N73 PolarHBondContact O-N 3.4Å | ||
| 72 | E | 47.9 | Very low | 46.8 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -78.8 | 99.8 | 171.1 | -165.1 | 174 | -158 | 0 | 0 | 107.7 | M70 T74 | M70-E72 PolarHBondContact O-N 3.36Å; E72-T74 HydrophobicContact CG-CG2 4.41Å; E72-T74 PolarHBondContact O-N 3.04Å | ||
| 73 | N | 42.3 | Very low | 46.4 | Very low | 139 Ų | 139 | 150.4 Ų | 150.4 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -59.6 | 82.8 | 171.7 | -71.5 | -30.7 | 0 | 0 | 0 | 110.1 | E71 E75 | E71-N73 PolarHBondContact O-N 3.4Å; N73-E75 PolarHBondContact O-N 3.36Å | ||
| 74 | T | 47.8 | Very low | 46.3 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 61% | 0.607 | 75% | 0.754 | S | S | * | * | trans | -78.8 | 73.1 | 166.2 | 61.2 | 0 | 0 | 0 | 0 | 108.4 | E72 L76 | E72-T74 HydrophobicContact CG-CG2 4.41Å; E72-T74 PolarHBondContact O-N 3.04Å; T74-L76 PolarHBondContact O-N 2.87Å | ||
| 75 | E | 43.8 | Very low | 46.5 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -63.2 | 80.2 | 156.1 | -84.3 | -174.8 | 161.5 | 0 | 0 | 107.6 | N73 L77 | N73-E75 PolarHBondContact O-N 3.36Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.04Å | ||
| 76 | L | 47.3 | Very low | 46.6 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -68.7 | 98.2 | 167.1 | -67.1 | 176.7 | 0 | 0 | 0 | 106.4 | T74 S78 | T74-L76 PolarHBondContact O-N 2.87Å; L76-S78 VanDerWaalsContact C-N 3.35Å; L76-S78 PolarHBondContact O-N 3.38Å | ||
| 77 | L | 45.9 | Very low | 46.9 | Very low | 164 Ų | 164 | 145 Ų | 145 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -41.8 | 101.4 | 166.1 | -91.6 | 84.9 | 0 | 0 | 0 | 108.4 | E75 | E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.04Å | ||
| 78 | S | 48.9 | Very low | 46.4 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -68.8 | 126.3 | 166.3 | -66.6 | 0 | 0 | 0 | 0 | 106.1 | L76 K80 | L76-S78 VanDerWaalsContact C-N 3.35Å; L76-S78 PolarHBondContact O-N 3.38Å; S78-K80 PolarHBondContact O-N 3.21Å | ||
| 79 | P | 51.6 | Low | 46.5 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -58.7 | 118.1 | 166.8 | -10.5 | 24 | 0 | 0 | 0 | 106.1 | I81 | P79-I81 VanDerWaalsContact C-N 3.3Å; P79-I81 PolarHBondContact O-N 3.37Å | ||
| 80 | K | 48.5 | Very low | 46.2 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -60.1 | 101.1 | 163.2 | -93.8 | 170.1 | 172.6 | 173.6 | 0 | 105.8 | S78 D82 | S78-K80 PolarHBondContact O-N 3.21Å; K80-D82 PolarHBondContact O-N 3.44Å | ||
| 81 | I | 51.4 | Low | 46.2 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | trans | -82.5 | 102.9 | 167.7 | -63.7 | 168.4 | 0 | 0 | 0 | 104.2 | P79 H83 | P79-I81 VanDerWaalsContact C-N 3.3Å; P79-I81 PolarHBondContact O-N 3.37Å; I81-H83 PolarHBondContact O-CD2 3.31Å; I81-H83 PolarHBondContact O-N 3.01Å | ||
| 82 | D | 45.2 | Very low | 45.8 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | -64.9 | 104.8 | 169.9 | -69.3 | -30.4 | 0 | 0 | 0 | 107.7 | K80 S84 | K80-D82 PolarHBondContact O-N 3.44Å; D82-S84 PolarHBondContact O-N 2.91Å | ||
| 83 | H | 47.4 | Very low | 45.4 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | trans | -74.8 | 68.8 | 175 | -55.9 | -67.6 | 0 | 0 | 0 | 109.4 | I81 | I81-H83 PolarHBondContact O-CD2 3.31Å; I81-H83 PolarHBondContact O-N 3.01Å | ||
| 84 | S | 48.3 | Very low | 45.3 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | -143.9 | 42.8 | -176.7 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | D82 | D82-S84 PolarHBondContact O-N 2.91Š| ||
| 85 | I | 45.5 | Very low | 44.8 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | -148.3 | 60.7 | 166.4 | -42.6 | 174.2 | 0 | 0 | 0 | 110.1 | ||||
| 86 | L | 45.4 | Very low | 44.4 | Very low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -147.5 | 61.1 | 161 | -74.8 | 179.4 | 0 | 0 | 0 | 107.7 | ||||
| 87 | S | 45 | Very low | 43.6 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -97.2 | 100.8 | 157.4 | -66.9 | 0 | 0 | 0 | 0 | 105.7 | D89 | S87-D89 PolarHBondContact O-N 3.21Š| ||
| 88 | D | 39.4 | Very low | 43.3 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -62.4 | 85 | 164.8 | -76.2 | -37.1 | 0 | 0 | 0 | 108.3 | N90 | D88-N90 PolarHBondContact O-N 3.01Š| ||
| 89 | D | 43.1 | Very low | 42.7 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -77.3 | 77.1 | 164.7 | -80.5 | -18.1 | 0 | 0 | 0 | 108.4 | S87 N91 | S87-D89 PolarHBondContact O-N 3.21Å; D89-N91 VanDerWaalsContact C-N 3.3Å; D89-N91 PolarHBondContact O-N 2.96Å | ||
| 90 | N | 39.8 | Very low | 42.2 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -64.9 | 94.4 | 153.9 | -76.9 | -47.7 | 0 | 0 | 0 | 107.6 | D88 | D88-N90 PolarHBondContact O-N 3.01Š| ||
| 91 | N | 44.8 | Very low | 41.7 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -128.4 | 103.4 | 160 | -110.8 | -13.8 | 0 | 0 | 0 | 110.9 | D89 | D89-N91 VanDerWaalsContact C-N 3.3Å; D89-N91 PolarHBondContact O-N 2.96Å | ||
| 92 | N | 43.2 | Very low | 41.4 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -55.6 | 142.3 | 164 | -62.8 | -62.8 | 0 | 0 | 0 | 110.3 | ||||
| 93 | N | 39.1 | Very low | 41.3 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 50.7 | 106 | 148.1 | -48.9 | -28.6 | 0 | 0 | 0 | 116.9 | ||||
| 94 | D | 40.5 | Very low | 41 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | -174.3 | 149.1 | 113.5 | -140.8 | -13.9 | 0 | 0 | 0 | 110.3 | |||||
| 95 | D | 37.3 | Very low | 40.2 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -60.2 | 136.2 | 179.1 | -67.6 | -57.4 | 0 | 0 | 0 | 112.8 | ||||
| 96 | G | 35.3 | Very low | 39.9 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 146.9 | 115.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 97 | D | 30.9 | Very low | 39.9 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | 20.7 | 111.3 | 146.6 | -85 | -26.2 | 0 | 0 | 0 | 118.3 | ||||
| 98 | A | 39.4 | Very low | 39.5 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | 172.5 | 117.3 | 117.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S100 | A98-S100 PolarHBondContact O-N 3.5Š| |||
| 99 | T | 35.7 | Very low | 39.5 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -47.6 | 120.9 | 158.6 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 100 | S | 41.3 | Very low | 39.3 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | -154.2 | 101.2 | 148.6 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | A98 I102 | A98-S100 PolarHBondContact O-N 3.5Å; S100-I102 PolarHBondContact O-N 3.36Å | ||
| 101 | I | 37.4 | Very low | 39.4 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -73.2 | 99.9 | 164.5 | -62.7 | 168.4 | 0 | 0 | 0 | 106.1 | R103 | I101-R103 PolarHBondContact O-N 2.9Š| ||
| 102 | I | 45.9 | Very low | 39 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -78.9 | 105.6 | 177.5 | -60.5 | 175.6 | 0 | 0 | 0 | 108.6 | S100 | S100-I102 PolarHBondContact O-N 3.36Š| ||
| 103 | R | 42 | Very low | 39.1 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -86.9 | 128 | 168.7 | -73.8 | 179.3 | 170.3 | -162.9 | -2.4 | 109.8 | I101 N105 | I101-R103 PolarHBondContact O-N 2.9Å; R103-N105 PolarHBondContact O-N 3.38Å | ||
| 104 | P | 40.8 | Very low | 39.2 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -90.2 | 81 | 167.7 | 34.2 | -28.6 | 0 | 0 | 0 | 109.8 | ||||
| 105 | N | 33.4 | Very low | 39.3 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -115.3 | 88.8 | 159.7 | -84.7 | -1.9 | 0 | 0 | 0 | 107.2 | R103 | R103-N105 PolarHBondContact O-N 3.38Š| ||
| 106 | S | 39.1 | Very low | 39.7 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 178.8 | 88.3 | 160.8 | -77.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 107 | L | 43.6 | Very low | 40.1 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 97% | 0.974 | 79% | 0.792 | S | S | * | * | trans | -122.6 | 83 | 156.4 | -74 | 175 | 0 | 0 | 0 | 107.5 | ||||
| 108 | S | 37.6 | Very low | 40.9 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -87.9 | 139.6 | 165.8 | 51.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 109 | S | 38.5 | Very low | 41 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | 72.7 | 93.3 | 164.7 | -132.6 | 0 | 0 | 0 | 0 | 117.5 | D111 | S109-D111 PolarHBondContact O-N 2.9Å; S109-D111 PolarHBondContact OG-OD2 2.87Å | ||
| 110 | L | 39.7 | Very low | 41.8 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 96.5 | 161.7 | -159.8 | 92.1 | 0 | 0 | 0 | 107.7 | ||||
| 111 | D | 42 | Very low | 42.1 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -95.4 | 112.7 | 169.4 | -77.4 | -49.5 | 0 | 0 | 0 | 109.9 | S109 M113 | S109-D111 PolarHBondContact O-N 2.9Å; S109-D111 PolarHBondContact OG-OD2 2.87Å; D111-M113 PolarHBondContact O-N 3Å | ||
| 112 | N | 37.5 | Very low | 42.6 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -49.2 | 118.6 | 173.3 | -95.1 | -23.5 | 0 | 0 | 0 | 111.7 | ||||
| 113 | M | 45 | Very low | 42.7 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -130.3 | 122.9 | 155.5 | -74 | -63.6 | 145.1 | 0 | 0 | 111.1 | D111 | D111-M113 PolarHBondContact O-N 3Š| ||
| 114 | S | 40.8 | Very low | 43.1 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -67.5 | 148.4 | -170.9 | -176.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 115 | S | 42.6 | Very low | 43.5 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | 46.1 | 121.5 | 143.2 | 62.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 116 | D | 45.3 | Very low | 44.3 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | -165.2 | 105.4 | 126.4 | -94.8 | -19.9 | 0 | 0 | 0 | 111.6 | R118 | D116-R118 PolarHBondContact O-N 3.34Š| |||
| 117 | N | 43.1 | Very low | 44.8 | Very low | 175 Ų | 175 | 151.6 Ų | 151.6 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -70.5 | 101.3 | 171.1 | -71 | -32.6 | 0 | 0 | 0 | 109.6 | ||||
| 118 | R | 47.7 | Very low | 45.2 | Very low | 221 Ų | 221 | 153 Ų | 153 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -102.7 | 104.1 | 165.9 | -74.5 | -168.7 | 179.6 | -163.7 | 1.5 | 110.9 | D116 V120 | D116-R118 PolarHBondContact O-N 3.34Å; R118-V120 PolarHBondContact O-N 3.47Å | ||
| 119 | S | 43.1 | Very low | 45.7 | Very low | 120 Ų | 120 | 156.5 Ų | 156.5 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -52.1 | 118.1 | 164.8 | 164.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 120 | V | 50.7 | Low | 46.8 | Very low | 137 Ų | 137 | 159.5 Ų | 159.5 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -112.2 | 127.8 | 170 | -174.4 | 0 | 0 | 0 | 0 | 109 | R118 | R118-V120 PolarHBondContact O-N 3.47Š| ||
| 121 | K | 48.7 | Very low | 47.2 | Very low | 197 Ų | 197 | 158.2 Ų | 158.2 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -64.7 | 153.6 | -171.7 | -72.4 | 172.6 | 170.9 | 178.2 | 0 | 113.7 | ||||
| 122 | E | 48.1 | Very low | 47.6 | Very low | 164 Ų | 164 | 161.5 Ų | 161.5 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -62.2 | 133 | -177.9 | -61.7 | 142.9 | 170.2 | 0 | 0 | 114.4 | ||||
| 123 | D | 48.5 | Very low | 48.4 | Very low | 163 Ų | 163 | 161.2 Ų | 161.2 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -106.7 | 105.5 | 156.2 | -89.8 | -28.7 | 0 | 0 | 0 | 109.4 | C125 | D123-C125 PolarHBondContact O-N 3.48Š| ||
| 124 | N | 49.9 | Very low | 48.7 | Very low | 141 Ų | 141 | 162.3 Ų | 162.3 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | -73.9 | 85.8 | -176.3 | -76.8 | -47.4 | 0 | 0 | 0 | 112.3 | R126 | N124-R126 PolarHBondContact O-N 3.43Å; N124-R126 VanDerWaalsContact O-N 3.07Å | ||
| 125 | C | 48.3 | Very low | 49.2 | Very low | 121 Ų | 121 | 161.7 Ų | 161.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -72.8 | 95.8 | 164.8 | -94.4 | 0 | 0 | 0 | 0 | 110.5 | D123 I127 | D123-C125 PolarHBondContact O-N 3.48Å; C125-I127 PolarHBondContact O-N 2.99Å | ||
| 126 | R | 50.5 | Low | 49.5 | Very low | 232 Ų | 232 | 164.5 Ų | 164.5 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -62.8 | 87.9 | 179.3 | -172 | 176.8 | -178.1 | 174.9 | 0.3 | 112.2 | N124 R128 | N124-R126 PolarHBondContact O-N 3.43Å; N124-R126 VanDerWaalsContact O-N 3.07Å; R126-R128 PolarHBondContact O-N 2.82Å | ||
| 127 | I | 49.4 | Very low | 49.6 | Very low | 150 Ų | 150 | 164.2 Ų | 164.2 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -74 | 110.7 | 169.4 | -63.4 | 167.9 | 0 | 0 | 0 | 108.6 | C125 Q129 | C125-I127 PolarHBondContact O-N 2.99Å; I127-Q129 PolarHBondContact O-N 3.06Å; I127-Q129 VanDerWaalsContact O-N 3.12Å | ||
| 128 | R | 51.4 | Low | 49.8 | Very low | 214 Ų | 214 | 161.8 Ų | 161.8 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 102.1 | 171.7 | -67.2 | 175.6 | 109.9 | -100.4 | 5.3 | 109.2 | R126 | R126-R128 PolarHBondContact O-N 2.82Š| ||
| 129 | Q | 49.5 | Very low | 49.7 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 128.1 | 167.6 | -66.9 | -174.1 | 1.7 | 0 | 0 | 109.6 | I127 | I127-Q129 PolarHBondContact O-N 3.06Å; I127-Q129 VanDerWaalsContact O-N 3.12Å |
| 130 | K | 60.6 | Low | 49.7 | Very low | 163 Ų | 163 | 155.8 Ų | 155.8 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 117.1 | 169.2 | -69.1 | -177.3 | 179.8 | 179.6 | 0 | 108.4 | Y132 | K130-Y132 HydrophobicContact CB-CE2 4.27Š|
| 131 | T | 49.2 | Very low | 49.3 | Very low | 140 Ų | 140 | 158.3 Ų | 158.3 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 118.8 | 167.3 | 17.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 132 | Y | 49 | Very low | 49.2 | Very low | 202 Ų | 202 | 155.2 Ų | 155.2 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -92.9 | 115.4 | 165.3 | -69.1 | -85.5 | 0 | 0 | 0 | 108.2 | K130 | K130-Y132 HydrophobicContact CB-CE2 4.27Š| ||
| 133 | T | 54.8 | Low | 48.9 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 128.8 | 169.6 | 38.3 | 0 | 0 | 0 | 0 | 109.2 | S135 | T133-S135 PolarHBondContact O-N 2.86Š|
| 134 | K | 52.1 | Low | 48.6 | Very low | 209 Ų | 209 | 150.6 Ų | 150.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128.6 | 172.5 | -91.6 | -178.9 | 172 | -177.5 | 0 | 109.3 | ||
| 135 | S | 51.3 | Low | 48.3 | Very low | 92 Ų | 92 | 151.6 Ų | 151.6 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.1 | 162.7 | 50.7 | 0 | 0 | 0 | 0 | 109.2 | T133 I137 | T133-S135 PolarHBondContact O-N 2.86Å; S135-I137 PolarHBondContact O-N 2.72Å; S135-I137 VanDerWaalsContact O-N 3.17Å |
| 136 | N | 47.6 | Very low | 48.6 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -78.8 | 91.7 | 173.1 | -156.7 | 14.2 | 0 | 0 | 0 | 107.1 | ||||
| 137 | I | 47.8 | Very low | 48.9 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | trans | -89.8 | 111.4 | 175.6 | -58 | 174.1 | 0 | 0 | 0 | 106.7 | S135 S139 | S135-I137 PolarHBondContact O-N 2.72Å; S135-I137 VanDerWaalsContact O-N 3.17Å; I137-S139 PolarHBondContact O-N 2.88Å | ||
| 138 | N | 48.2 | Very low | 49.1 | Very low | 123 Ų | 123 | 147 Ų | 147 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | trans | -61.2 | 126.3 | 177.4 | -64.3 | -19.4 | 0 | 0 | 0 | 109.8 | S140 | N138-S140 VanDerWaalsContact C-N 3.29Å; N138-S140 PolarHBondContact O-N 2.95Å | ||
| 139 | S | 44.9 | Very low | 49.6 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -74.2 | 75.4 | -179.6 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | I137 | I137-S139 PolarHBondContact O-N 2.88Š|
| 140 | S | 43.6 | Very low | 50.4 | Low | 86 Ų | 86 | 141.4 Ų | 141.4 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | trans | -160.1 | 128 | 161.8 | 56.4 | 0 | 0 | 0 | 0 | 106.9 | N138 | N138-S140 VanDerWaalsContact C-N 3.29Å; N138-S140 PolarHBondContact O-N 2.95Å | ||
| 141 | E | 41.4 | Very low | 51.1 | Low | 190 Ų | 190 | 140.2 Ų | 140.2 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | 93 | 70.9 | -174.9 | -51.6 | 175.5 | -176.2 | 0 | 0 | 114.9 | ||||
| 142 | V | 47.7 | Very low | 52.2 | Low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -114.4 | 72.5 | 157 | -169.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 143 | N | 41.8 | Very low | 53.4 | Low | 168 Ų | 168 | 140.9 Ų | 140.9 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -133.7 | 104.5 | 162.6 | -160 | 11.3 | 0 | 0 | 0 | 106.9 | ||||
| 144 | G | 42.2 | Very low | 54.3 | Low | 61 Ų | 61 | 136 Ų | 136 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 112.9 | 115.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 145 | N | 43.2 | Very low | 55.3 | Low | 162 Ų | 162 | 131.7 Ų | 131.7 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | 63.8 | 74.4 | 149.2 | -59.8 | -8.3 | 0 | 0 | 0 | 118.1 | ||||
| 146 | H | 53.8 | Low | 55.6 | Low | 157 Ų | 157 | 134.4 Ų | 134.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -74.7 | 137.6 | 149.9 | -68.4 | -62.7 | 0 | 0 | 0 | 109.7 | N148 | H146-N148 PolarHBondContact O-N 3.14Å; H146-N148 VanDerWaalsContact O-N 3.14Å | ||
| 147 | P | 57.4 | Low | 56 | Low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | trans | -60.8 | 121.3 | 172.2 | 25.6 | -31.4 | 0 | 0 | 0 | 108.4 | V149 | P147-V149 PolarHBondContact O-N 3.17Š| ||
| 148 | N | 54.4 | Low | 56.2 | Low | 135 Ų | 135 | 132.2 Ų | 132.2 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -52.2 | 107 | -176.4 | -155.7 | 9.4 | 0 | 0 | 0 | 110.1 | H146 Q150 | H146-N148 PolarHBondContact O-N 3.14Å; H146-N148 VanDerWaalsContact O-N 3.14Å; N148-Q150 PolarHBondContact O-N 3.17Å | ||
| 149 | V | 60.6 | Low | 56.3 | Low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -71.9 | 90.2 | 167.3 | 178.7 | 0 | 0 | 0 | 0 | 106.2 | P147 L151 | P147-V149 PolarHBondContact O-N 3.17Å; V149-L151 HydrophobicContact CG1-CD2 4.47Å; V149-L151 PolarHBondContact O-N 3.01Å | ||
| 150 | Q | 66.9 | Low | 56.6 | Low | 158 Ų | 158 | 141.1 Ų | 141.1 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 95.2 | 176.6 | -163.4 | 97.3 | 30.3 | 0 | 0 | 108.5 | N148 | N148-Q150 PolarHBondContact O-N 3.17Š| ||
| 151 | L | 74.3 | Confident | 56.5 | Low | 137 Ų | 137 | 140.8 Ų | 140.8 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | -68 | 134.1 | 166.9 | -67.1 | 171.5 | 0 | 0 | 0 | 108.7 | V149 S153 | V149-L151 HydrophobicContact CG1-CD2 4.47Å; V149-L151 PolarHBondContact O-N 3.01Å; L151-S153 PolarHBondContact O-N 3.28Å | ||
| 152 | W | 73.5 | Confident | 56.9 | Low | 241 Ų | 241 | 136.5 Ų | 136.5 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | trans | -68.5 | 118.6 | 176.6 | 179 | 25.2 | 0 | 0 | 0 | 110.3 | G154 | W152-G154 VanDerWaalsContact C-N 3.33Å; W152-G154 PolarHBondContact O-N 2.91Å | ||
| 153 | S | 74.1 | Confident | 57.1 | Low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -87.1 | 11.1 | -175.6 | -39 | 0 | 0 | 0 | 0 | 115.2 | L151 | L151-S153 PolarHBondContact O-N 3.28Š| ||
| 154 | G | 73.7 | Confident | 57.3 | Low | 36 Ų | 36 | 138.2 Ų | 138.2 | 37% | 0.371 | 76% | 0.758 | S | S | . | * | trans | 65.8 | 178.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | W152 | W152-G154 VanDerWaalsContact C-N 3.33Å; W152-G154 PolarHBondContact O-N 2.91Å | ||
| 155 | P | 72.2 | Confident | 58 | Low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | -71.7 | 128.2 | 179.4 | 26.9 | -31.3 | 0 | 0 | 0 | 111.7 | T157 | P155-T157 PolarHBondContact O-N 3.29Š| ||
| 156 | N | 58.2 | Low | 58.8 | Low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -69.3 | 111.2 | 179 | -129.1 | -21.1 | 0 | 0 | 0 | 110.2 | T158 | N156-T158 PolarHBondContact O-N 3.5Š| ||
| 157 | T | 56 | Low | 58.9 | Low | 137 Ų | 137 | 140 Ų | 140 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -82 | 44.8 | 174 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | P155 R159 | P155-T157 PolarHBondContact O-N 3.29Å; T157-R159 PolarHBondContact O-N 3.12Å | ||
| 158 | T | 52.7 | Low | 58.9 | Low | 104 Ų | 104 | 144 Ų | 144 | 64% | 0.638 | 77% | 0.773 | S | S | * | * | trans | -81.5 | 92.6 | 170.4 | -24.3 | 0 | 0 | 0 | 0 | 108.2 | N156 K160 | N156-T158 PolarHBondContact O-N 3.5Å; T158-K160 PolarHBondContact O-N 3.22Å | ||
| 159 | R | 49.2 | Very low | 59 | Low | 243 Ų | 243 | 147.3 Ų | 147.3 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -46 | 100.9 | 167.6 | -169.6 | -177.1 | -152.6 | -140.1 | 5.7 | 108.6 | T157 G161 | T157-R159 PolarHBondContact O-N 3.12Å; R159-G161 VanDerWaalsContact C-N 3.3Å; R159-G161 PolarHBondContact O-N 3.26Å | ||
| 160 | K | 52.7 | Low | 59 | Low | 197 Ų | 197 | 153 Ų | 153 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -65.2 | 96.7 | 168.8 | -77 | -151.5 | 178.7 | -174.4 | 0 | 107.5 | T158 S162 | T158-K160 PolarHBondContact O-N 3.22Å; K160-S162 PolarHBondContact O-N 3.34Å; K160-S162 VanDerWaalsContact O-N 3.1Å | ||
| 161 | G | 40.9 | Very low | 58.6 | Low | 78 Ų | 78 | 158.8 Ų | 158.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -65 | 100.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | R159 | R159-G161 VanDerWaalsContact C-N 3.3Å; R159-G161 PolarHBondContact O-N 3.26Å | ||
| 162 | S | 49.4 | Very low | 57.8 | Low | 100 Ų | 100 | 159.9 Ų | 159.9 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -103.9 | 102.3 | 164 | 55.1 | 0 | 0 | 0 | 0 | 108.9 | K160 | K160-S162 PolarHBondContact O-N 3.34Å; K160-S162 VanDerWaalsContact O-N 3.1Å | ||
| 163 | S | 51 | Low | 57 | Low | 106 Ų | 106 | 155.6 Ų | 155.6 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | 46.1 | 98.9 | 143.7 | 58.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 164 | R | 48 | Very low | 56 | Low | 231 Ų | 231 | 157.9 Ų | 157.9 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.9 | 152.8 | -175.4 | 177.8 | 177.5 | -168.1 | 0.8 | 109.2 | Q166 | R164-Q166 PolarHBondContact O-N 3.19Š|
| 165 | P | 56.9 | Low | 55 | Low | 118 Ų | 118 | 165.1 Ų | 165.1 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -69 | 125.4 | 172.4 | 27.1 | -30.3 | 0 | 0 | 0 | 109 | S167 | P165-S167 PolarHBondContact O-N 2.9Š|
| 166 | Q | 58.1 | Low | 53.9 | Low | 186 Ų | 186 | 168 Ų | 168 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -70 | 119.4 | 170 | -74.7 | -146.6 | -18.2 | 0 | 0 | 109.7 | R164 K168 | R164-Q166 PolarHBondContact O-N 3.19Å; Q166-K168 PolarHBondContact O-N 2.95Å |
| 167 | S | 55.7 | Low | 53.6 | Low | 113 Ų | 113 | 169.2 Ų | 169.2 | 79% | 0.79 | 85% | 0.845 | S | S | * | * | trans | -65.8 | 108.3 | 166.3 | 27 | 0 | 0 | 0 | 0 | 109.6 | P165 K169 | P165-S167 PolarHBondContact O-N 2.9Å; S167-K169 PolarHBondContact O-N 3.33Å | ||
| 168 | K | 57.4 | Low | 53.4 | Low | 198 Ų | 198 | 171.5 Ų | 171.5 | 86% | 0.861 | 85% | 0.845 | S | S | * | * | trans | -71.3 | 102.4 | 166.7 | -73.4 | -177.6 | 178.7 | 174.8 | 0 | 109 | Q166 R170 | Q166-K168 PolarHBondContact O-N 2.95Å; K168-R170 PolarHBondContact O-N 3.07Å | ||
| 169 | K | 58.4 | Low | 53.5 | Low | 206 Ų | 206 | 176.7 Ų | 176.7 | 90% | 0.896 | 86% | 0.861 | S | S | * | * | trans | -73.1 | 112.8 | 153.3 | -98.2 | -176 | 174.1 | -179.2 | 0 | 107.3 | S167 | S167-K169 PolarHBondContact O-N 3.33Š| ||
| 170 | R | 59.9 | Low | 53.8 | Low | 241 Ų | 241 | 171.2 Ų | 171.2 | 91% | 0.909 | 86% | 0.857 | S | S | * | * | trans | -83.1 | 143.5 | 160.4 | -85.8 | -177.8 | 145.7 | 170 | -7.1 | 108.8 | K168 | K168-R170 PolarHBondContact O-N 3.07Š| ||
| 171 | K | 57.7 | Low | 54 | Low | 280 Ų | 280 | 168.8 Ų | 168.8 | 100% | 1.217 | 86% | 0.857 | S | S | * | * | trans | -55.8 | 0 | 179.9 | -159.9 | 178.2 | -173.3 | -178.9 | 0 | 112.3 |
Retrieved 171 of 171 residues in 24.9 ms
(Link to these results)