| 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 | 42 | Very low | 35.9 | Very low | 246 Ų | 246 | 164.9 Ų | 164.9 | 100% | 1.212 | 85% | 0.849 | S | S | * | * | 0 | 122.4 | 0 | -80.8 | 166.7 | 159.8 | 0 | 0 | 107.5 | |||||
| 2 | I | 35.7 | Very low | 35.4 | Very low | 159 Ų | 159 | 162.5 Ų | 162.5 | 82% | 0.815 | 84% | 0.839 | S | S | * | * | trans | -77.5 | 119.4 | 176.6 | -66.3 | 161.5 | 0 | 0 | 0 | 106.6 | K4 | I2-K4 HydrophobicContact CG2-CG 4.14Š| ||
| 3 | E | 42.7 | Very low | 35 | Very low | 170 Ų | 170 | 165.2 Ų | 165.2 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | trans | -128.9 | 95.6 | 160.5 | -156.3 | 164.6 | -161.6 | 0 | 0 | 108.2 | ||||
| 4 | K | 37.1 | Very low | 34.7 | Very low | 194 Ų | 194 | 158.8 Ų | 158.8 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -79.7 | 111.5 | 166.8 | -72.7 | -177.6 | 177.9 | 178.8 | 0 | 106.8 | I2 | I2-K4 HydrophobicContact CG2-CG 4.14Š| ||
| 5 | Q | 37.2 | Very low | 34.5 | Very low | 163 Ų | 163 | 155.7 Ų | 155.7 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | -131.6 | 105.5 | 153.8 | -73.5 | -164.6 | -1.7 | 0 | 0 | 109.3 | ||||
| 6 | K | 31.2 | Very low | 34.6 | Very low | 210 Ų | 210 | 154.5 Ų | 154.5 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 121.4 | 151.6 | -81.2 | -178.4 | 172.1 | -176.9 | 0 | 106.7 | ||
| 7 | P | 36.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 146 | 152.3 | 17.8 | -0.6 | 0 | 0 | 0 | 109.8 | ||
| 8 | G | 33.1 | Very low | 34.5 | Very low | 76 Ų | 76 | 153.5 Ų | 153.5 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 144.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | E10 | G8-E10 PolarHBondContact O-N 3.28Å; G8-E10 VanDerWaalsContact O-N 3.07Å |
| 9 | M | 31.8 | Very low | 34.4 | Very low | 187 Ų | 187 | 151.7 Ų | 151.7 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -65.7 | 102.2 | 158.8 | -79 | 174.4 | 165.9 | 0 | 0 | 107.8 | V11 | M9-V11 PolarHBondContact O-N 3.1Š| ||
| 10 | E | 31.1 | Very low | 34.1 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -63.1 | 99.7 | 168.9 | -159.5 | 172.9 | -154.2 | 0 | 0 | 108.1 | G8 N12 | G8-E10 PolarHBondContact O-N 3.28Å; G8-E10 VanDerWaalsContact O-N 3.07Å; E10-N12 PolarHBondContact O-N 3.22Å | ||
| 11 | V | 36.2 | Very low | 33.9 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -69.1 | 92.6 | 169.4 | -177.1 | 0 | 0 | 0 | 0 | 105.8 | M9 K13 | M9-V11 PolarHBondContact O-N 3.1Å; V11-K13 VanDerWaalsContact C-N 3.28Å; V11-K13 PolarHBondContact O-N 2.98Å | ||
| 12 | N | 30.7 | Very low | 33.3 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -54.6 | 95.8 | 166.7 | -83.9 | -75.4 | 0 | 0 | 0 | 108 | E10 A14 | E10-N12 PolarHBondContact O-N 3.22Å; N12-A14 PolarHBondContact O-N 2.95Å | ||
| 13 | K | 30.3 | Very low | 32.9 | Very low | 197 Ų | 197 | 141 Ų | 141 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -66.7 | 87.3 | 162.6 | -77.5 | 179.2 | 178.2 | 174.4 | 0 | 106 | V11 | V11-K13 VanDerWaalsContact C-N 3.28Å; V11-K13 PolarHBondContact O-N 2.98Å | ||
| 14 | A | 30.9 | Very low | 32.5 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 63% | 0.628 | 78% | 0.775 | S | S | * | * | trans | -53.5 | 132.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | N12 V16 | N12-A14 PolarHBondContact O-N 2.95Å; A14-V16 PolarHBondContact O-N 3.07Å; A14-V16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | P | 31.3 | Very low | 31.9 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -59.3 | 121.6 | 179.1 | 23.4 | -30 | 0 | 0 | 0 | 107.2 | D17 | P15-D17 VanDerWaalsContact C-N 3.29Å; P15-D17 PolarHBondContact O-N 3.17Å | ||
| 16 | V | 36.7 | Very low | 31.5 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -62.6 | 102.4 | 166.9 | 177.6 | 0 | 0 | 0 | 0 | 104.4 | A14 R18 | A14-V16 PolarHBondContact O-N 3.07Å; A14-V16 VanDerWaalsContact O-N 3.08Å; V16-R18 PolarHBondContact O-N 2.82Å | ||
| 17 | D | 32.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -55 | 95.3 | 169.4 | -88.8 | -30 | 0 | 0 | 0 | 106.9 | P15 | P15-D17 VanDerWaalsContact C-N 3.29Å; P15-D17 PolarHBondContact O-N 3.17Å | ||
| 18 | R | 34.8 | Very low | 31.2 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 52% | 0.517 | 77% | 0.772 | S | S | . | * | trans | -59.4 | 136.4 | 173.8 | -165.8 | -177.7 | -86.9 | -140.5 | 12.9 | 105.9 | V16 T20 E146 | V16-R18 PolarHBondContact O-N 2.82Å; R18-T20 PolarHBondContact O-N 3.38Å; R18-E146 IonicContact CZ-OE1 3.57Å; R18-E146 IonicContact CZ-OE2 2.85Å; R18-E146 IonicContact NH1-OE1 2.69Å; R18-E146 PolarHBondContact NH1-OE1 2.88Å; R18-E146 IonicContact NH1-OE2 2.75Å; R18-E146 PolarHBondContact NH1-OE2 3.19Å; R18-E146 IonicContact NH2-OE1 3.3Å; R18-E146 IonicContact NH2-OE2 2.9Å; R18-E146 PolarHBondContact NH2-OE2 2.92Å | ||
| 19 | P | 31.4 | Very low | 31.3 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -53.4 | 109.4 | -177.2 | -23 | 31 | 0 | 0 | 0 | 109.6 | L21 | P19-L21 PolarHBondContact O-N 3.15Š| ||
| 20 | T | 29.1 | Very low | 31.9 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -63.4 | 110.9 | 173.2 | 10.7 | 0 | 0 | 0 | 0 | 106 | R18 | R18-T20 PolarHBondContact O-N 3.38Š| ||
| 21 | L | 30.2 | Very low | 33 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 131.1 | 169.8 | -84.5 | 163.3 | 0 | 0 | 0 | 107.3 | P19 | P19-L21 PolarHBondContact O-N 3.15Š|
| 22 | P | 29 | Very low | 34.7 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.8 | -170.2 | 21.1 | -31.8 | 0 | 0 | 0 | 110.8 | Q24 | P22-Q24 PolarHBondContact O-N 2.94Š|
| 23 | P | 27.6 | Very low | 37 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 125.4 | -178.4 | 21.9 | -31.3 | 0 | 0 | 0 | 110.1 | Q25 | P23-Q25 PolarHBondContact O-N 3.13Š|
| 24 | Q | 34.9 | Very low | 39.8 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 94% | 0.944 | 74% | 0.742 | S | S | * | * | trans | -70.7 | 80 | 175.6 | -71.1 | -126.4 | 20.3 | 0 | 0 | 110.1 | P22 | P22-Q24 PolarHBondContact O-N 2.94Š| ||
| 25 | Q | 24.3 | Very low | 42.5 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | -102.6 | 118.8 | 158.5 | -71.5 | -173.1 | 8.9 | 0 | 0 | 108.5 | P23 | P23-Q25 PolarHBondContact O-N 3.13Š| ||
| 26 | G | 27.6 | Very low | 45.2 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 114.9 | 95.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G28 | G26-G28 PolarHBondContact O-N 3.35Š|
| 27 | N | 33.6 | Very low | 47.7 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 98% | 0.984 | 69% | 0.686 | S | S | * | * | trans | 8.8 | 73.5 | 144.4 | -152.7 | 21.4 | 0 | 0 | 0 | 116.2 | ||||
| 28 | G | 28.2 | Very low | 50.5 | Low | 64 Ų | 64 | 120.5 Ų | 120.5 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | trans | -116.4 | 128.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G26 R30 | G26-G28 PolarHBondContact O-N 3.35Å; G28-R30 PolarHBondContact O-N 2.92Å | ||
| 29 | G | 34.1 | Very low | 53.1 | Low | 71 Ų | 71 | 116.3 Ų | 116.3 | 73% | 0.732 | 63% | 0.631 | S | S | * | * | trans | -39.2 | 132.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R31 | G29-R31 VanDerWaalsContact C-N 3.28Å; G29-R31 PolarHBondContact O-N 2.84Å | ||
| 30 | R | 45.3 | Very low | 55.7 | Low | 250 Ų | 250 | 114.9 Ų | 114.9 | 94% | 0.943 | 62% | 0.617 | S | S | * | * | trans | -46.7 | 88.9 | 177.6 | -63.3 | 177 | -171.8 | 174.7 | 1.8 | 109.8 | G28 R32 | G28-R30 PolarHBondContact O-N 2.92Å; R30-R32 PolarHBondContact O-N 3.06Å; R30-R32 VanDerWaalsContact O-N 3.13Å | ||
| 31 | R | 54.9 | Low | 58.5 | Low | 243 Ų | 243 | 109 Ų | 109 | 92% | 0.917 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.7 | 168.6 | -76.5 | -166.9 | 178.4 | -165.3 | 0.4 | 104.8 | G29 | G29-R31 VanDerWaalsContact C-N 3.28Å; G29-R31 PolarHBondContact O-N 2.84Å |
| 32 | R | 70.8 | Confident | 61.3 | Low | 232 Ų | 232 | 103 Ų | 103 | 88% | 0.875 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.2 | 169.9 | -74 | -175.1 | 175.6 | -166.6 | -1 | 107.2 | R30 D34 | R30-R32 PolarHBondContact O-N 3.06Å; R30-R32 VanDerWaalsContact O-N 3.13Å; R32-D34 PolarHBondContact O-N 2.95Å |
| 33 | P | 80 | Confident | 64 | Low | 38 Ų | 38 | 102.6 Ų | 102.6 | 25% | 0.247 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 131.5 | 173.9 | -13.6 | 24.6 | 0 | 0 | 0 | 109 | M35 V134 Y137 | P33-M35 HydrophobicContact CB-CE 3.91Å; P33-M35 HydrophobicContact CG-CE 4.28Å; P33-M35 PolarHBondContact O-N 3.11Å; P33-V134 HydrophobicContact CG-CG2 4.49Å; P33-Y137 HydrophobicContact CB-CD1 3.81Å; P33-Y137 HydrophobicContact CB-CD2 3.36Å; P33-Y137 HydrophobicContact CB-CE1 3.94Å; P33-Y137 HydrophobicContact CB-CE2 3.49Å; P33-Y137 VanDerWaalsContact CB-CE2 3.49Å; P33-Y137 HydrophobicContact CB-CG 3.53Å; P33-Y137 HydrophobicContact CG-CD2 4.42Å; P33-Y137 HydrophobicContact CG-CG 4.28Å |
| 34 | D | 88.4 | Confident | 66.6 | Low | 87 Ų | 87 | 99.3 Ų | 99.3 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | trans | -79.8 | 102.6 | 178.8 | -173.3 | -18.3 | 0 | 0 | 0 | 108.4 | R32 D36 A37 L38 Y137 | R32-D34 PolarHBondContact O-N 2.95Å; D34-D36 PolarHBondContact OD1-N 2.96Å; D34-A37 HydrophobicContact CB-CB 3.95Å; D34-A37 PolarHBondContact OD1-N 3.04Å; D34-L38 PolarHBondContact O-N 3.13Å; D34-Y137 PolarHBondContact N-OH 3.4Å; D34-Y137 WeakPolarHBondContact O-CE2 3.34Å; D34-Y137 PolarHBondContact O-OH 2.9Å | ||
| 35 | M | 88.1 | Confident | 68.9 | Low | 18 Ų | 18 | 90.2 Ų | 90.2 | 9% | 0.089 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -74.8 | -30.1 | -176.7 | -65.7 | -58 | 170.9 | 0 | 0 | 112.2 | P33 L38 W39 E58 L61 Y137 | P33-M35 HydrophobicContact CB-CE 3.91Å; P33-M35 HydrophobicContact CG-CE 4.28Å; P33-M35 PolarHBondContact O-N 3.11Å; M35-L38 PolarHBondContact O-N 3.16Å; M35-W39 WeakPolarHBondContact O-CB 3.5Å; M35-W39 PolarHBondContact O-N 3.21Å; M35-E58 HydrophobicContact CE-CG 4.28Å; M35-E58 HydrophobicContact CG-CB 4.3Å; M35-E58 HydrophobicContact CG-CG 4.33Å; M35-E58 HydrophobicContact SD-CB 4.48Å; M35-L61 HydrophobicContact CE-CD1 4.07Å; M35-L61 HydrophobicContact SD-CD1 3.82Å; M35-Y137 HydrophobicContact CE-CD2 3.98Å; M35-Y137 HydrophobicContact SD-CD2 3.89Å; M35-Y137 HydrophobicContact SD-CE2 4.11Å |
| 36 | D | 88.4 | Confident | 71.6 | Confident | 104 Ų | 104 | 84.3 Ų | 84.3 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.4 | -42.8 | 177.5 | -65.7 | -44.8 | 0 | 0 | 0 | 110 | D34 L38 W39 N40 | D34-D36 PolarHBondContact OD1-N 2.96Å; D36-L38 PolarHBondContact O-N 3.33Å; D36-W39 PolarHBondContact O-N 3.35Å; D36-N40 WeakPolarHBondContact O-CB 3.35Å; D36-N40 VanDerWaalsContact O-CG 3.28Å; D36-N40 PolarHBondContact O-N 3.15Å; D36-N40 PolarHBondContact O-ND2 3.32Å; D36-N40 VanDerWaalsContact O-ND2 3.13Å |
| 37 | A | 88.7 | Confident | 74 | Confident | 45 Ų | 45 | 83 Ų | 83 | 37% | 0.372 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D34 N40 A41 | D34-A37 HydrophobicContact CB-CB 3.95Å; D34-A37 PolarHBondContact OD1-N 3.04Å; A37-N40 PolarHBondContact O-N 3.07Å; A37-A41 PolarHBondContact O-N 3.19Å |
| 38 | L | 90.4 | Very high | 75.9 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 179 | -175.8 | 66 | 0 | 0 | 0 | 112.1 | D34 M35 D36 N40 A41 L42 L57 L61 Y137 V140 N141 | D34-L38 PolarHBondContact O-N 3.13Å; M35-L38 PolarHBondContact O-N 3.16Å; D36-L38 PolarHBondContact O-N 3.33Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.33Å; L38-A41 PolarHBondContact O-N 3.33Å; L38-L42 PolarHBondContact O-N 3.31Å; L38-L57 HydrophobicContact CB-CD2 4.31Å; L38-L57 HydrophobicContact CD2-CD2 3.91Å; L38-L57 HydrophobicContact CD2-CG 4.47Å; L38-L57 HydrophobicContact CG-CD2 3.9Å; L38-L61 HydrophobicContact CD2-CD1 3.74Å; L38-Y137 HydrophobicContact CB-CD2 4.42Å; L38-Y137 HydrophobicContact CB-CE2 3.68Å; L38-Y137 HydrophobicContact CD2-CD2 3.53Å; L38-Y137 HydrophobicContact CD2-CE2 3.68Å; L38-Y137 HydrophobicContact CD2-CG 4.41Å; L38-Y137 HydrophobicContact CG-CD2 4.47Å; L38-Y137 HydrophobicContact CG-CE2 4.16Å; L38-V140 HydrophobicContact CD1-CB 4.45Å; L38-V140 HydrophobicContact CD1-CG1 4.07Å; L38-V140 HydrophobicContact CD2-CB 4.39Å; L38-V140 HydrophobicContact CD2-CG1 4.23Å; L38-V140 HydrophobicContact CG-CG1 4.41Å; L38-N141 VanDerWaalsContact CD1-CA 3.48Å; L38-N141 HydrophobicContact CD1-CB 3.69Å |
| 39 | W | 89.7 | Confident | 78.1 | Confident | 50 Ų | 50 | 79 Ų | 79 | 19% | 0.189 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.5 | 177.9 | 79.4 | 0 | 0 | 0 | 111.9 | M35 D36 L42 K43 A54 L57 | M35-W39 WeakPolarHBondContact O-CB 3.5Å; M35-W39 PolarHBondContact O-N 3.21Å; D36-W39 PolarHBondContact O-N 3.35Å; W39-L42 PolarHBondContact O-N 3.3Å; W39-K43 HydrophobicContact CD2-CD 3.93Å; W39-K43 HydrophobicContact CD2-CG 4.42Å; W39-K43 VanDerWaalsContact CE2-CE 3.43Å; W39-K43 HydrophobicContact CE3-CD 3.78Å; W39-K43 HydrophobicContact CH2-CD 4.11Å; W39-K43 HydrophobicContact CZ2-CD 4.11Å; W39-K43 HydrophobicContact CZ3-CD 3.88Å; W39-K43 WeakPolarHBondContact O-CB 3.26Å; W39-K43 WeakPolarHBondContact O-CG 3.48Å; W39-K43 PolarHBondContact O-N 3.21Å; W39-A54 HydrophobicContact CB-CB 3.89Å; W39-A54 HydrophobicContact CD2-CB 4.47Å; W39-A54 HydrophobicContact CG-CB 4.07Å; W39-L57 HydrophobicContact CB-CD2 4.02Å |
| 40 | N | 87.5 | Confident | 80.1 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 48% | 0.476 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 173.1 | -72.8 | -33 | 0 | 0 | 0 | 112.5 | D36 A37 L38 K43 G44 | D36-N40 WeakPolarHBondContact O-CB 3.35Å; D36-N40 VanDerWaalsContact O-CG 3.28Å; D36-N40 PolarHBondContact O-N 3.15Å; D36-N40 PolarHBondContact O-ND2 3.32Å; D36-N40 VanDerWaalsContact O-ND2 3.13Å; A37-N40 PolarHBondContact O-N 3.07Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.33Å; N40-K43 WeakPolarHBondContact O-CB 3.42Å; N40-K43 PolarHBondContact O-N 3.18Å; N40-G44 PolarHBondContact O-N 3.19Å |
| 41 | A | 87.2 | Confident | 82 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 11% | 0.107 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A37 L38 K43 G44 C45 C144 E148 | A37-A41 PolarHBondContact O-N 3.19Å; L38-A41 PolarHBondContact O-N 3.33Å; A41-K43 VanDerWaalsContact C-N 3.29Å; A41-K43 PolarHBondContact O-N 3.36Å; A41-G44 WeakPolarHBondContact O-CA 3.05Å; A41-G44 PolarHBondContact O-N 3.05Å; A41-C45 PolarHBondContact O-N 3.02Å; A41-C45 PolarHBondContact O-SG 3.07Å; A41-C144 HydrophobicContact CB-CB 4.12Å; A41-E148 WeakPolarHBondContact CA-OE1 3.25Å |
| 42 | L | 88.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 176.9 | -172.6 | 66.1 | 0 | 0 | 0 | 112.7 | L38 W39 C45 G46 L47 I51 L57 L73 L77 | L38-L42 PolarHBondContact O-N 3.31Å; W39-L42 PolarHBondContact O-N 3.3Å; L42-C45 WeakPolarHBondContact O-CB 3.33Å; L42-C45 PolarHBondContact O-N 3.27Å; L42-G46 PolarHBondContact O-N 3.41Å; L42-L47 HydrophobicContact CD1-CB 3.97Å; L42-L47 PolarHBondContact O-N 3.02Å; L42-I51 HydrophobicContact CD2-CD1 3.84Å; L42-L57 HydrophobicContact CD2-CD1 4.19Å; L42-L73 HydrophobicContact CD1-CD1 3.9Å; L42-L73 HydrophobicContact CD2-CD1 4.07Å; L42-L77 HydrophobicContact CD1-CD2 4.16Å |
| 43 | K | 86.4 | Confident | 84.1 | Confident | 96 Ų | 96 | 54 Ų | 54 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 169.1 | -82.1 | 176.3 | 156.1 | -170.1 | 0 | 112.4 | W39 N40 A41 C45 G46 T48 | W39-K43 HydrophobicContact CD2-CD 3.93Å; W39-K43 HydrophobicContact CD2-CG 4.42Å; W39-K43 VanDerWaalsContact CE2-CE 3.43Å; W39-K43 HydrophobicContact CE3-CD 3.78Å; W39-K43 HydrophobicContact CH2-CD 4.11Å; W39-K43 HydrophobicContact CZ2-CD 4.11Å; W39-K43 HydrophobicContact CZ3-CD 3.88Å; W39-K43 WeakPolarHBondContact O-CB 3.26Å; W39-K43 WeakPolarHBondContact O-CG 3.48Å; W39-K43 PolarHBondContact O-N 3.21Å; N40-K43 WeakPolarHBondContact O-CB 3.42Å; N40-K43 PolarHBondContact O-N 3.18Å; A41-K43 VanDerWaalsContact C-N 3.29Å; A41-K43 PolarHBondContact O-N 3.36Å; K43-C45 PolarHBondContact O-N 3.02Å; K43-G46 PolarHBondContact O-N 3.22Å; K43-T48 HydrophobicContact CB-CG2 4.07Å; K43-T48 HydrophobicContact CG-CG2 3.47Å; K43-T48 VanDerWaalsContact CG-CG2 3.47Å |
| 44 | G | 81.5 | Confident | 84.5 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.3 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | N40 A41 G46 | N40-G44 PolarHBondContact O-N 3.19Å; A41-G44 WeakPolarHBondContact O-CA 3.05Å; A41-G44 PolarHBondContact O-N 3.05Å; G44-G46 VanDerWaalsContact C-N 3.25Å; G44-G46 PolarHBondContact O-N 2.98Å |
| 45 | C | 83.8 | Confident | 84.5 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -11 | 175.9 | -62.2 | 0 | 0 | 0 | 0 | 115 | A41 L42 K43 L47 L147 | A41-C45 PolarHBondContact O-N 3.02Å; A41-C45 PolarHBondContact O-SG 3.07Å; L42-C45 WeakPolarHBondContact O-CB 3.33Å; L42-C45 PolarHBondContact O-N 3.27Å; K43-C45 PolarHBondContact O-N 3.02Å; C45-L47 VanDerWaalsContact C-N 3.32Å; C45-L47 HydrophobicContact CB-CD1 4.46Å; C45-L47 PolarHBondContact O-N 3.09Å; C45-L147 HydrophobicContact CB-CD2 3.7Å; C45-L147 HydrophobicContact CB-CG 4.47Å |
| 46 | G | 80.5 | Confident | 84.6 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 11.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | L42 K43 G44 T48 | L42-G46 PolarHBondContact O-N 3.41Å; K43-G46 PolarHBondContact O-N 3.22Å; G44-G46 VanDerWaalsContact C-N 3.25Å; G44-G46 PolarHBondContact O-N 2.98Å; G46-T48 PolarHBondContact O-N 2.64Å |
| 47 | L | 77.4 | Confident | 84.7 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | trans | -99.2 | 35.4 | -173.3 | -74.6 | 168 | 0 | 0 | 0 | 113.6 | L42 C45 N76 L77 A80 L147 | L42-L47 HydrophobicContact CD1-CB 3.97Å; L42-L47 PolarHBondContact O-N 3.02Å; C45-L47 VanDerWaalsContact C-N 3.32Å; C45-L47 HydrophobicContact CB-CD1 4.46Å; C45-L47 PolarHBondContact O-N 3.09Å; L47-N76 HydrophobicContact CD2-CB 4.05Å; L47-L77 HydrophobicContact CD1-CD2 3.46Å; L47-L77 VanDerWaalsContact CD1-CD2 3.46Å; L47-L77 HydrophobicContact CD1-CG 3.9Å; L47-A80 HydrophobicContact CD1-CB 4.16Å; L47-L147 HydrophobicContact CD1-CD2 4.19Å | ||
| 48 | T | 74.6 | Confident | 84.9 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | trans | -94.3 | -5.8 | -172.9 | 55.2 | 0 | 0 | 0 | 0 | 115 | K43 G46 S50 I51 | K43-T48 HydrophobicContact CB-CG2 4.07Å; K43-T48 HydrophobicContact CG-CG2 3.47Å; K43-T48 VanDerWaalsContact CG-CG2 3.47Å; G46-T48 PolarHBondContact O-N 2.64Å; T48-S50 PolarHBondContact O-N 3Å; T48-I51 CarbonylContact O-C 3.58Å; T48-I51 PolarHBondContact O-N 3.39Å; T48-I51 VanDerWaalsContact O-O 3.08Å | ||
| 49 | A | 74.2 | Confident | 84.9 | Confident | 112 Ų | 112 | 55 Ų | 55 | 93% | 0.926 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 50 | S | 76.6 | Confident | 85 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 60% | 0.601 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -5.6 | 179 | -167 | 0 | 0 | 0 | 0 | 114.4 | T48 | T48-S50 PolarHBondContact O-N 3Š|
| 51 | I | 84.4 | Confident | 85.2 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | trans | -134.6 | 105.7 | -169.8 | -54.9 | -179.4 | 0 | 0 | 0 | 109.9 | L42 T48 A56 L57 I60 L73 | L42-I51 HydrophobicContact CD2-CD1 3.84Å; T48-I51 CarbonylContact O-C 3.58Å; T48-I51 PolarHBondContact O-N 3.39Å; T48-I51 VanDerWaalsContact O-O 3.08Å; I51-A56 HydrophobicContact CG2-CB 4.14Å; I51-L57 HydrophobicContact CD1-CD1 4.07Å; I51-L57 HydrophobicContact CG2-CB 3.95Å; I51-I60 HydrophobicContact CD1-CD1 3.55Å; I51-I60 HydrophobicContact CG1-CD1 3.63Å; I51-I60 HydrophobicContact CG2-CD1 4.42Å; I51-L73 HydrophobicContact CD1-CD1 3.92Å; I51-L73 HydrophobicContact CD1-CD2 4.03Å; I51-L73 HydrophobicContact CD1-CG 4.49Å | ||
| 52 | P | 82.2 | Confident | 85.4 | Confident | 105 Ų | 105 | 51.7 Ų | 51.7 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | trans | -72.7 | -40.8 | -171.6 | 26.5 | -34.2 | 0 | 0 | 0 | 113.9 | A56 | P52-A56 HydrophobicContact CG-CB 3.83Š| ||
| 53 | D | 86.4 | Confident | 85.3 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -146.9 | 171.3 | -171.7 | 64.2 | -1.5 | 0 | 0 | 0 | 112.6 | V55 A56 L57 | D53-V55 PolarHBondContact O-N 2.76Å; D53-A56 PolarHBondContact O-N 3.11Å; D53-A56 WeakPolarHBondContact OD1-CB 3.37Å; D53-A56 PolarHBondContact OD1-N 2.95Å; D53-L57 PolarHBondContact O-N 3.47Å; D53-L57 VanDerWaalsContact O-N 3.13Å |
| 54 | A | 88.5 | Confident | 85.4 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -28.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W39 L57 E58 | W39-A54 HydrophobicContact CB-CB 3.89Å; W39-A54 HydrophobicContact CD2-CB 4.47Å; W39-A54 HydrophobicContact CG-CB 4.07Å; A54-L57 PolarHBondContact O-N 3.33Å; A54-E58 WeakPolarHBondContact O-CB 3.29Å; A54-E58 PolarHBondContact O-N 2.9Å |
| 55 | V | 90.3 | Very high | 85.7 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | D53 L57 E58 K59 | D53-V55 PolarHBondContact O-N 2.76Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-E58 PolarHBondContact O-N 2.84Å; V55-K59 WeakPolarHBondContact O-CG 3.33Å; V55-K59 PolarHBondContact O-N 3.45Å |
| 56 | A | 89.6 | Confident | 85.7 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I51 P52 D53 E58 K59 I60 | I51-A56 HydrophobicContact CG2-CB 4.14Å; P52-A56 HydrophobicContact CG-CB 3.83Å; D53-A56 PolarHBondContact O-N 3.11Å; D53-A56 WeakPolarHBondContact OD1-CB 3.37Å; D53-A56 PolarHBondContact OD1-N 2.95Å; A56-E58 VanDerWaalsContact C-N 3.32Å; A56-E58 PolarHBondContact O-N 3.32Å; A56-K59 PolarHBondContact O-N 3.09Å; A56-I60 WeakPolarHBondContact O-CG1 3.34Å; A56-I60 PolarHBondContact O-N 3.26Å |
| 57 | L | 90.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 173.5 | -178.8 | 59.9 | 0 | 0 | 0 | 111.5 | L38 W39 L42 I51 D53 A54 V55 K59 I60 L61 L73 | L38-L57 HydrophobicContact CB-CD2 4.31Å; L38-L57 HydrophobicContact CD2-CD2 3.91Å; L38-L57 HydrophobicContact CD2-CG 4.47Å; L38-L57 HydrophobicContact CG-CD2 3.9Å; W39-L57 HydrophobicContact CB-CD2 4.02Å; L42-L57 HydrophobicContact CD2-CD1 4.19Å; I51-L57 HydrophobicContact CD1-CD1 4.07Å; I51-L57 HydrophobicContact CG2-CB 3.95Å; D53-L57 PolarHBondContact O-N 3.47Å; D53-L57 VanDerWaalsContact O-N 3.13Å; A54-L57 PolarHBondContact O-N 3.33Å; V55-L57 VanDerWaalsContact C-N 3.34Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.45Å; L57-I60 PolarHBondContact O-N 3.38Å; L57-L61 HydrophobicContact CG-CD1 4.44Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 2.98Å; L57-L73 HydrophobicContact CD1-CD2 4Å |
| 58 | E | 91.6 | Very high | 86.6 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 177.3 | -173.8 | 169.7 | -163.4 | 0 | 0 | 112 | M35 A54 V55 A56 L61 D62 K133 | M35-E58 HydrophobicContact CE-CG 4.28Å; M35-E58 HydrophobicContact CG-CB 4.3Å; M35-E58 HydrophobicContact CG-CG 4.33Å; M35-E58 HydrophobicContact SD-CB 4.48Å; A54-E58 WeakPolarHBondContact O-CB 3.29Å; A54-E58 PolarHBondContact O-N 2.9Å; V55-E58 PolarHBondContact O-N 2.84Å; A56-E58 VanDerWaalsContact C-N 3.32Å; A56-E58 PolarHBondContact O-N 3.32Å; E58-L61 PolarHBondContact O-N 3.26Å; E58-D62 PolarHBondContact O-N 3.36Å; E58-K133 IonicContact OE1-NZ 3.79Å; E58-K133 PolarHBondContact OE1-NZ 3.31Å |
| 59 | K | 91.7 | Very high | 87.3 | Confident | 131 Ų | 131 | 61.2 Ų | 61.2 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 174.8 | -70.7 | 174.6 | -176.8 | 175.9 | 0 | 112.3 | V55 A56 L57 L61 D62 E63 | V55-K59 WeakPolarHBondContact O-CG 3.33Å; V55-K59 PolarHBondContact O-N 3.45Å; A56-K59 PolarHBondContact O-N 3.09Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.45Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.28Å; K59-D62 WeakPolarHBondContact O-CB 3.26Å; K59-D62 PolarHBondContact O-N 3.35Å; K59-E63 WeakPolarHBondContact O-CG 3.35Å; K59-E63 PolarHBondContact O-N 3.12Å; K59-E63 VanDerWaalsContact O-N 3.13Å |
| 60 | I | 91.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.3 | -68.2 | 166.4 | 0 | 0 | 0 | 110.6 | I51 A56 L57 D62 E63 G64 Q69 F70 L73 | I51-I60 HydrophobicContact CD1-CD1 3.55Å; I51-I60 HydrophobicContact CG1-CD1 3.63Å; I51-I60 HydrophobicContact CG2-CD1 4.42Å; A56-I60 WeakPolarHBondContact O-CG1 3.34Å; A56-I60 PolarHBondContact O-N 3.26Å; L57-I60 PolarHBondContact O-N 3.38Å; I60-D62 VanDerWaalsContact C-N 3.26Å; I60-D62 PolarHBondContact O-N 2.9Å; I60-E63 PolarHBondContact O-N 3.23Å; I60-G64 PolarHBondContact O-N 3.15Å; I60-G64 VanDerWaalsContact O-N 3.11Å; I60-Q69 HydrophobicContact CD1-CB 4.31Å; I60-Q69 HydrophobicContact CG1-CB 4.01Å; I60-Q69 VanDerWaalsContact CG1-OE1 3.26Å; I60-Q69 HydrophobicContact CG2-CB 4.27Å; I60-F70 HydrophobicContact CG2-CB 3.86Å; I60-F70 HydrophobicContact CG2-CD2 4.3Å; I60-L73 HydrophobicContact CG2-CD2 4.42Å |
| 61 | L | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -25.3 | 175.7 | -71.2 | 179.5 | 0 | 0 | 0 | 113 | M35 L38 L57 E58 K59 F70 R136 Y137 V140 | M35-L61 HydrophobicContact CE-CD1 4.07Å; M35-L61 HydrophobicContact SD-CD1 3.82Å; L38-L61 HydrophobicContact CD2-CD1 3.74Å; L57-L61 HydrophobicContact CG-CD1 4.44Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 2.98Å; E58-L61 PolarHBondContact O-N 3.26Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.28Å; L61-F70 HydrophobicContact CD2-CD2 4.25Å; L61-F70 HydrophobicContact CD2-CE2 3.92Å; L61-R136 HydrophobicContact CD2-CB 4.08Å; L61-R136 WeakPolarHBondContact O-CD 3.42Å; L61-R136 PolarHBondContact O-NE 3.16Å; L61-R136 PolarHBondContact O-NH1 3.44Å; L61-R136 PolarHBondContact O-NH2 3.38Å; L61-Y137 HydrophobicContact CD1-CD2 4.3Å; L61-V140 HydrophobicContact CD2-CG2 3.87Å |
| 62 | D | 90.7 | Very high | 89.1 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -77.7 | -28.8 | 176.1 | -79.4 | -29.4 | 0 | 0 | 0 | 112.9 | E58 K59 I60 K133 R136 | E58-D62 PolarHBondContact O-N 3.36Å; K59-D62 WeakPolarHBondContact O-CB 3.26Å; K59-D62 PolarHBondContact O-N 3.35Å; I60-D62 VanDerWaalsContact C-N 3.26Å; I60-D62 PolarHBondContact O-N 2.9Å; D62-K133 WeakPolarHBondContact OD1-CD 3.44Å; D62-K133 WeakPolarHBondContact OD1-CE 3.22Å; D62-K133 IonicContact OD1-NZ 3.83Å; D62-K133 PolarHBondContact OD1-NZ 2.71Å; D62-K133 IonicContact OD2-NZ 3.09Å; D62-K133 PolarHBondContact OD2-NZ 2.77Å; D62-R136 PolarHBondContact O-NH1 3.37Å; D62-R136 PolarHBondContact O-NH2 3.35Å |
| 63 | E | 88.3 | Confident | 89.5 | Confident | 105 Ų | 105 | 51.5 Ų | 51.5 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -81.5 | -38.1 | 176.3 | -60.2 | 174.5 | 178.8 | 0 | 0 | 113 | K59 I60 S67 | K59-E63 WeakPolarHBondContact O-CG 3.35Å; K59-E63 PolarHBondContact O-N 3.12Å; K59-E63 VanDerWaalsContact O-N 3.13Å; I60-E63 PolarHBondContact O-N 3.23Å; E63-S67 VanDerWaalsContact CB-CB 3.48Å; E63-S67 WeakPolarHBondContact OE2-CB 3.4Å; E63-S67 PolarHBondContact OE2-OG 3.06Å |
| 64 | G | 88.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | 66.3 | -151.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I60 R66 S67 F70 R136 | I60-G64 PolarHBondContact O-N 3.15Å; I60-G64 VanDerWaalsContact O-N 3.11Å; G64-R66 PolarHBondContact O-N 3.18Å; G64-S67 WeakPolarHBondContact O-CB 3.36Å; G64-S67 PolarHBondContact O-N 3.4Å; G64-F70 VanDerWaalsContact C-CD1 3.42Å; G64-F70 WeakPolarHBondContact O-CB 3.37Å; G64-F70 WeakPolarHBondContact O-CG 3.24Å; G64-R136 VanDerWaalsContact CA-CD 3.4Å |
| 65 | P | 86.1 | Confident | 89.9 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -66.8 | -10 | -165.5 | 27.9 | -36.6 | 0 | 0 | 0 | 115.4 | S67 F70 T71 V100 L130 | P65-S67 VanDerWaalsContact C-N 3.34Å; P65-F70 HydrophobicContact CB-CE1 4.47Å; P65-T71 WeakPolarHBondContact O-CG2 3.19Å; P65-V100 HydrophobicContact CB-CG1 3.94Å; P65-L130 HydrophobicContact CB-CD1 4.4Å; P65-L130 HydrophobicContact CG-CB 4.13Å |
| 66 | R | 85 | Confident | 90 | Very high | 208 Ų | 208 | 46.5 Ų | 46.5 | 79% | 0.785 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -86.2 | -7.6 | 173.7 | -64.2 | -175.5 | -178.4 | -173.7 | -0.7 | 113 | G64 | G64-R66 PolarHBondContact O-N 3.18Š|
| 67 | S | 88.5 | Confident | 90 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -97.8 | 132.1 | 176.4 | 176 | 0 | 0 | 0 | 0 | 111.1 | E63 G64 P65 Q69 F70 T71 | E63-S67 VanDerWaalsContact CB-CB 3.48Å; E63-S67 WeakPolarHBondContact OE2-CB 3.4Å; E63-S67 PolarHBondContact OE2-OG 3.06Å; G64-S67 WeakPolarHBondContact O-CB 3.36Å; G64-S67 PolarHBondContact O-N 3.4Å; P65-S67 VanDerWaalsContact C-N 3.34Å; S67-Q69 PolarHBondContact O-N 3.43Å; S67-Q69 PolarHBondContact OG-N 3.49Å; S67-F70 PolarHBondContact O-N 3.29Å; S67-T71 PolarHBondContact O-N 3.49Å; S67-T71 VanDerWaalsContact O-N 3.16Å; S67-T71 PolarHBondContact O-OG1 3.31Å |
| 68 | A | 88.4 | Confident | 90 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 41% | 0.405 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.4 | -35.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T71 Q72 L97 | A68-T71 PolarHBondContact O-OG1 3.45Å; A68-T71 VanDerWaalsContact O-OG1 3.1Å; A68-Q72 WeakPolarHBondContact O-CB 3.5Å; A68-Q72 PolarHBondContact O-N 3.36Å; A68-L97 HydrophobicContact CB-CD1 4.24Å |
| 69 | Q | 88.6 | Confident | 89.9 | Confident | 102 Ų | 102 | 46.2 Ų | 46.2 | 48% | 0.477 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.6 | -41.6 | -178.3 | -64.4 | -173.1 | -3.2 | 0 | 0 | 111.6 | I60 S67 L73 | I60-Q69 HydrophobicContact CD1-CB 4.31Å; I60-Q69 HydrophobicContact CG1-CB 4.01Å; I60-Q69 VanDerWaalsContact CG1-OE1 3.26Å; I60-Q69 HydrophobicContact CG2-CB 4.27Å; S67-Q69 PolarHBondContact O-N 3.43Å; S67-Q69 PolarHBondContact OG-N 3.49Å; Q69-L73 WeakPolarHBondContact O-CB 3.41Å; Q69-L73 PolarHBondContact O-N 3.43Å |
| 70 | F | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.7 | -46.4 | 178.4 | 177.4 | -90.7 | 0 | 0 | 0 | 111.6 | I60 L61 G64 P65 S67 Q72 L73 V74 L130 R136 L139 V140 | I60-F70 HydrophobicContact CG2-CB 3.86Å; I60-F70 HydrophobicContact CG2-CD2 4.3Å; L61-F70 HydrophobicContact CD2-CD2 4.25Å; L61-F70 HydrophobicContact CD2-CE2 3.92Å; G64-F70 VanDerWaalsContact C-CD1 3.42Å; G64-F70 WeakPolarHBondContact O-CB 3.37Å; G64-F70 WeakPolarHBondContact O-CG 3.24Å; P65-F70 HydrophobicContact CB-CE1 4.47Å; S67-F70 PolarHBondContact O-N 3.29Å; F70-Q72 VanDerWaalsContact C-N 3.29Å; F70-Q72 PolarHBondContact O-N 2.7Å; F70-L73 WeakPolarHBondContact O-CB 3.42Å; F70-L73 PolarHBondContact O-N 3.36Å; F70-V74 HydrophobicContact CD1-CG2 4.4Å; F70-V74 HydrophobicContact CE1-CG2 3.96Å; F70-V74 HydrophobicContact CE2-CG2 4.48Å; F70-V74 HydrophobicContact CZ-CG2 4.01Å; F70-V74 WeakPolarHBondContact O-CG2 3.32Å; F70-V74 PolarHBondContact O-N 2.9Å; F70-L130 HydrophobicContact CE1-CD1 3.99Å; F70-L130 HydrophobicContact CZ-CD1 4.26Å; F70-R136 HydrophobicContact CE2-CB 3.93Å; F70-R136 HydrophobicContact CE2-CG 4.09Å; F70-R136 HydrophobicContact CZ-CB 4.2Å; F70-R136 HydrophobicContact CZ-CG 4Å; F70-L139 HydrophobicContact CZ-CD2 4.11Å; F70-V140 HydrophobicContact CE2-CG2 4.32Å |
| 71 | T | 91.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -35.5 | 179.2 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | P65 S67 A68 V74 S75 P94 F103 | P65-T71 WeakPolarHBondContact O-CG2 3.19Å; S67-T71 PolarHBondContact O-N 3.49Å; S67-T71 VanDerWaalsContact O-N 3.16Å; S67-T71 PolarHBondContact O-OG1 3.31Å; A68-T71 PolarHBondContact O-OG1 3.45Å; A68-T71 VanDerWaalsContact O-OG1 3.1Å; T71-V74 PolarHBondContact O-N 3.44Å; T71-S75 VanDerWaalsContact O-CB 3.25Å; T71-S75 WeakPolarHBondContact O-CB 2.97Å; T71-S75 PolarHBondContact O-N 2.89Å; T71-P94 HydrophobicContact CG2-CG 3.95Å; T71-F103 HydrophobicContact CG2-CD2 4.45Å; T71-F103 HydrophobicContact CG2-CE1 4.27Å; T71-F103 HydrophobicContact CG2-CE2 4.16Å; T71-F103 HydrophobicContact CG2-CZ 4.07Å |
| 72 | Q | 90.5 | Very high | 89.2 | Confident | 96 Ų | 96 | 42.4 Ų | 42.4 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 174.9 | -173.2 | 162.7 | 11.1 | 0 | 0 | 112.2 | A68 F70 S75 N76 | A68-Q72 WeakPolarHBondContact O-CB 3.5Å; A68-Q72 PolarHBondContact O-N 3.36Å; F70-Q72 VanDerWaalsContact C-N 3.29Å; F70-Q72 PolarHBondContact O-N 2.7Å; Q72-S75 PolarHBondContact O-N 3.41Å; Q72-N76 WeakPolarHBondContact O-CB 3.37Å; Q72-N76 PolarHBondContact O-N 3.16Å; Q72-N76 PolarHBondContact O-ND2 3.02Å; Q72-N76 PolarHBondContact O-OD1 2.88Å |
| 73 | L | 91.1 | Very high | 88.9 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 173.3 | 177.1 | 62.8 | 0 | 0 | 0 | 111.5 | L42 I51 L57 I60 Q69 F70 N76 L77 V140 | L42-L73 HydrophobicContact CD1-CD1 3.9Å; L42-L73 HydrophobicContact CD2-CD1 4.07Å; I51-L73 HydrophobicContact CD1-CD1 3.92Å; I51-L73 HydrophobicContact CD1-CD2 4.03Å; I51-L73 HydrophobicContact CD1-CG 4.49Å; L57-L73 HydrophobicContact CD1-CD2 4Å; I60-L73 HydrophobicContact CG2-CD2 4.42Å; Q69-L73 WeakPolarHBondContact O-CB 3.41Å; Q69-L73 PolarHBondContact O-N 3.43Å; F70-L73 WeakPolarHBondContact O-CB 3.42Å; F70-L73 PolarHBondContact O-N 3.36Å; L73-N76 PolarHBondContact O-N 3.12Å; L73-L77 HydrophobicContact CD1-CD1 4.24Å; L73-L77 HydrophobicContact CG-CD1 4.18Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.37Å; L73-V140 HydrophobicContact CD2-CG1 4.32Å; L73-V140 HydrophobicContact CD2-CG2 4.23Å |
| 74 | V | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | F70 T71 L77 S78 V91 F103 L107 L139 L143 | F70-V74 HydrophobicContact CD1-CG2 4.4Å; F70-V74 HydrophobicContact CE1-CG2 3.96Å; F70-V74 HydrophobicContact CE2-CG2 4.48Å; F70-V74 HydrophobicContact CZ-CG2 4.01Å; F70-V74 WeakPolarHBondContact O-CG2 3.32Å; F70-V74 PolarHBondContact O-N 2.9Å; T71-V74 PolarHBondContact O-N 3.44Å; V74-L77 PolarHBondContact O-N 2.85Å; V74-S78 WeakPolarHBondContact O-CB 3.47Å; V74-S78 PolarHBondContact O-N 3.08Å; V74-V91 HydrophobicContact CG1-CG1 4.36Å; V74-F103 HydrophobicContact CB-CE2 4.28Å; V74-F103 HydrophobicContact CB-CZ 3.97Å; V74-F103 HydrophobicContact CG1-CE2 4.15Å; V74-F103 HydrophobicContact CG1-CZ 3.84Å; V74-F103 HydrophobicContact CG2-CZ 4.42Å; V74-L107 HydrophobicContact CG1-CD1 3.84Å; V74-L139 HydrophobicContact CG1-CD2 4.42Å; V74-L139 HydrophobicContact CG2-CD2 3.92Å; V74-L143 HydrophobicContact CG1-CD1 4.06Å |
| 75 | S | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 112 | T71 Q72 L77 S78 K79 V91 C93 | T71-S75 VanDerWaalsContact O-CB 3.25Å; T71-S75 WeakPolarHBondContact O-CB 2.97Å; T71-S75 PolarHBondContact O-N 2.89Å; Q72-S75 PolarHBondContact O-N 3.41Å; S75-L77 PolarHBondContact O-N 3.27Å; S75-S78 PolarHBondContact O-N 3.44Å; S75-K79 WeakPolarHBondContact O-CG 3.25Å; S75-K79 PolarHBondContact O-N 3.38Å; S75-V91 WeakPolarHBondContact CA-O 3.38Å; S75-V91 WeakPolarHBondContact CB-O 3.12Å; S75-V91 PolarHBondContact OG-O 3.19Å; S75-C93 VanDerWaalsContact CB-SG 3.52Å; S75-C93 PolarHBondContact OG-SG 2.87Å; S75-C93 VanDerWaalsContact OG-SG 3.38Å |
| 76 | N | 91.4 | Very high | 87.3 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.9 | -70.5 | -14.4 | 0 | 0 | 0 | 112.1 | L47 Q72 L73 K79 A80 | L47-N76 HydrophobicContact CD2-CB 4.05Å; Q72-N76 WeakPolarHBondContact O-CB 3.37Å; Q72-N76 PolarHBondContact O-N 3.16Å; Q72-N76 PolarHBondContact O-ND2 3.02Å; Q72-N76 PolarHBondContact O-OD1 2.88Å; L73-N76 PolarHBondContact O-N 3.12Å; N76-K79 PolarHBondContact O-N 3.26Å; N76-A80 WeakPolarHBondContact O-CB 3.29Å; N76-A80 PolarHBondContact O-N 3.03Å |
| 77 | L | 90.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 175.2 | -76.9 | 165.6 | 0 | 0 | 0 | 111.8 | L42 L47 L73 V74 S75 A80 L81 V140 L143 L147 | L42-L77 HydrophobicContact CD1-CD2 4.16Å; L47-L77 HydrophobicContact CD1-CD2 3.46Å; L47-L77 VanDerWaalsContact CD1-CD2 3.46Å; L47-L77 HydrophobicContact CD1-CG 3.9Å; L73-L77 HydrophobicContact CD1-CD1 4.24Å; L73-L77 HydrophobicContact CG-CD1 4.18Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.37Å; V74-L77 PolarHBondContact O-N 2.85Å; S75-L77 PolarHBondContact O-N 3.27Å; L77-A80 PolarHBondContact O-N 2.8Å; L77-L81 WeakPolarHBondContact O-CG 3.46Å; L77-L81 PolarHBondContact O-N 3.32Å; L77-V140 HydrophobicContact CD1-CG1 4.09Å; L77-L143 HydrophobicContact CB-CB 4.18Å; L77-L143 HydrophobicContact CB-CD1 4.17Å; L77-L143 HydrophobicContact CD1-CB 4.16Å; L77-L143 HydrophobicContact CD1-CD1 4.35Å; L77-L147 HydrophobicContact CD2-CD2 4.11Å |
| 78 | S | 90.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | V74 S75 A80 L81 C82 Q90 V91 | V74-S78 WeakPolarHBondContact O-CB 3.47Å; V74-S78 PolarHBondContact O-N 3.08Å; S75-S78 PolarHBondContact O-N 3.44Å; S78-A80 PolarHBondContact O-N 3.48Å; S78-L81 WeakPolarHBondContact O-CB 3.25Å; S78-L81 PolarHBondContact O-N 2.89Å; S78-C82 PolarHBondContact O-N 3.02Å; S78-C82 PolarHBondContact O-SG 3.36Å; S78-Q90 WeakPolarHBondContact OG-CA 3.19Å; S78-V91 PolarHBondContact OG-N 3.35Å |
| 79 | K | 89.6 | Confident | 85.6 | Confident | 85 Ų | 85 | 53 Ų | 53 | 37% | 0.37 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 177.2 | -71.3 | 173.9 | -176 | -179.6 | 0 | 112.5 | S75 N76 L81 C82 L83 | S75-K79 WeakPolarHBondContact O-CG 3.25Å; S75-K79 PolarHBondContact O-N 3.38Å; N76-K79 PolarHBondContact O-N 3.26Å; K79-L81 VanDerWaalsContact C-N 3.28Å; K79-L81 PolarHBondContact O-N 2.89Å; K79-C82 PolarHBondContact O-N 3.33Å; K79-L83 WeakPolarHBondContact O-CG 3.46Å; K79-L83 PolarHBondContact O-N 3.48Å; K79-L83 VanDerWaalsContact O-N 3.11Å |
| 80 | A | 86.7 | Confident | 85.2 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 17% | 0.174 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L47 N76 L77 S78 L83 E84 L147 | L47-A80 HydrophobicContact CD1-CB 4.16Å; N76-A80 WeakPolarHBondContact O-CB 3.29Å; N76-A80 PolarHBondContact O-N 3.03Å; L77-A80 PolarHBondContact O-N 2.8Å; S78-A80 PolarHBondContact O-N 3.48Å; A80-L83 PolarHBondContact O-N 2.91Å; A80-E84 PolarHBondContact O-N 3.49Å; A80-L147 HydrophobicContact CB-CD1 4Å; A80-L147 HydrophobicContact CB-CD2 3.7Å |
| 81 | L | 87.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 172.8 | -81.2 | 164 | 0 | 0 | 0 | 111.7 | L77 S78 K79 L83 E84 T85 L87 L143 E146 L147 | L77-L81 WeakPolarHBondContact O-CG 3.46Å; L77-L81 PolarHBondContact O-N 3.32Å; S78-L81 WeakPolarHBondContact O-CB 3.25Å; S78-L81 PolarHBondContact O-N 2.89Å; K79-L81 VanDerWaalsContact C-N 3.28Å; K79-L81 PolarHBondContact O-N 2.89Å; L81-L83 PolarHBondContact O-N 3.46Å; L81-E84 PolarHBondContact O-N 3.49Å; L81-E84 VanDerWaalsContact O-N 3.07Å; L81-T85 WeakPolarHBondContact O-CB 3.2Å; L81-T85 PolarHBondContact O-N 2.92Å; L81-T85 PolarHBondContact O-OG1 3.3Å; L81-L87 HydrophobicContact CB-CD1 4.37Å; L81-L143 HydrophobicContact CD1-CB 4.35Å; L81-L143 HydrophobicContact CD1-CD2 3.76Å; L81-E146 HydrophobicContact CD2-CB 3.97Å; L81-L147 HydrophobicContact CD2-CB 3.86Å; L81-L147 HydrophobicContact CD2-CD1 4.18Å; L81-L147 HydrophobicContact CG-CB 4.1Å; L81-L147 HydrophobicContact CG-CD1 4.22Å |
| 82 | C | 85.7 | Confident | 84.7 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -22 | 179 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | S78 K79 T85 E89 | S78-C82 PolarHBondContact O-N 3.02Å; S78-C82 PolarHBondContact O-SG 3.36Å; K79-C82 PolarHBondContact O-N 3.33Å; C82-T85 CarbonylContact C-O 3.19Å; C82-E89 PolarHBondContact SG-O 3.08Å |
| 83 | L | 83.8 | Confident | 84.3 | Confident | 149 Ų | 149 | 53.5 Ų | 53.5 | 78% | 0.78 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -77.1 | -33.5 | 174.2 | -71.9 | 173.2 | 0 | 0 | 0 | 112.5 | K79 A80 L81 | K79-L83 WeakPolarHBondContact O-CG 3.46Å; K79-L83 PolarHBondContact O-N 3.48Å; K79-L83 VanDerWaalsContact O-N 3.11Å; A80-L83 PolarHBondContact O-N 2.91Å; L81-L83 PolarHBondContact O-N 3.46Å |
| 84 | E | 77.7 | Confident | 83.8 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -95.5 | -16.3 | -176.9 | -65.8 | -65.8 | 161.9 | 0 | 0 | 113.2 | A80 L81 L147 Q151 S154 | A80-E84 PolarHBondContact O-N 3.49Å; L81-E84 PolarHBondContact O-N 3.49Å; L81-E84 VanDerWaalsContact O-N 3.07Å; E84-L147 HydrophobicContact CG-CD1 4.35Å; E84-Q151 HydrophobicContact CG-CG 4.29Å; E84-S154 WeakPolarHBondContact OE2-CB 3.13Å; E84-S154 PolarHBondContact OE2-OG 3.39Å |
| 85 | T | 76.1 | Confident | 83.1 | Confident | 33 Ų | 33 | 60 Ų | 60 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -126.7 | 149.7 | -177 | 60.8 | 0 | 0 | 0 | 0 | 110.6 | L81 C82 L87 S150 | L81-T85 WeakPolarHBondContact O-CB 3.2Å; L81-T85 PolarHBondContact O-N 2.92Å; L81-T85 PolarHBondContact O-OG1 3.3Å; C82-T85 CarbonylContact C-O 3.19Å; T85-L87 PolarHBondContact O-N 2.95Å; T85-L87 WeakPolarHBondContact OG1-CD1 3.3Å; T85-L87 WeakPolarHBondContact OG1-CG 3.37Å; T85-S150 WeakPolarHBondContact CG2-OG 3.47Å |
| 86 | D | 75 | Confident | 82.5 | Confident | 165 Ų | 165 | 64.7 Ų | 64.7 | 88% | 0.882 | 36% | 0.356 | S | S | * | . | trans | -76.3 | 44.2 | 175.1 | -57.8 | -46.7 | 0 | 0 | 0 | 111.4 | ||||
| 87 | L | 75.2 | Confident | 81.8 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | trans | -81.6 | 138 | 178.2 | -70.2 | 170.1 | 0 | 0 | 0 | 110.6 | L81 T85 L110 E113 M114 | L81-L87 HydrophobicContact CB-CD1 4.37Å; T85-L87 PolarHBondContact O-N 2.95Å; T85-L87 WeakPolarHBondContact OG1-CD1 3.3Å; T85-L87 WeakPolarHBondContact OG1-CG 3.37Å; L87-L110 HydrophobicContact CD1-CD1 4.03Å; L87-E113 VanDerWaalsContact CD2-CD 3.45Å; L87-E113 HydrophobicContact CD2-CG 3.81Å; L87-E113 WeakPolarHBondContact CD2-OE1 3.35Å; L87-M114 HydrophobicContact CD1-CG 4.15Å; L87-M114 HydrophobicContact CD1-SD 3.51Å; L87-M114 VanDerWaalsContact CD1-SD 3.51Å; L87-M114 HydrophobicContact CD2-CG 4.34Å; L87-M114 HydrophobicContact CD2-SD 3.66Å; L87-M114 HydrophobicContact CG-SD 4.13Å | ||
| 88 | E | 73.3 | Confident | 81 | Confident | 177 Ų | 177 | 69.6 Ų | 69.6 | 83% | 0.827 | 39% | 0.394 | S | S | * | . | trans | -85.9 | -32.5 | 177.5 | -63.4 | -176.5 | 176.4 | 0 | 0 | 111.7 | ||||
| 89 | E | 79.2 | Confident | 80.5 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | trans | -87.1 | 133.1 | -174.2 | -64.2 | -75.9 | 166.2 | 0 | 0 | 111.7 | C82 S109 L110 E113 | C82-E89 PolarHBondContact SG-O 3.08Å; E89-S109 WeakPolarHBondContact OE2-CB 3.14Å; E89-S109 PolarHBondContact OE2-OG 2.87Å; E89-L110 HydrophobicContact CB-CB 4.45Å; E89-L110 HydrophobicContact CB-CD1 4.46Å; E89-E113 WeakPolarHBondContact CB-OE2 3.43Å; E89-E113 VanDerWaalsContact CG-OE2 3.22Å; E89-E113 WeakPolarHBondContact CG-OE2 3.38Å | ||
| 90 | Q | 80.5 | Confident | 80.3 | Confident | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | trans | -132.5 | 144.6 | 173.7 | 66.5 | -177.1 | -45 | 0 | 0 | 110.6 | S78 | S78-Q90 WeakPolarHBondContact OG-CA 3.19Š| ||
| 91 | V | 84.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 119.4 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | V74 S75 S78 F103 E106 L107 L110 | V74-V91 HydrophobicContact CG1-CG1 4.36Å; S75-V91 WeakPolarHBondContact CA-O 3.38Å; S75-V91 WeakPolarHBondContact CB-O 3.12Å; S75-V91 PolarHBondContact OG-O 3.19Å; S78-V91 PolarHBondContact OG-N 3.35Å; V91-F103 HydrophobicContact CG1-CD2 3.46Å; V91-F103 VanDerWaalsContact CG1-CD2 3.46Å; V91-F103 HydrophobicContact CG1-CE2 3.34Å; V91-F103 HydrophobicContact CG1-CG 4.41Å; V91-F103 HydrophobicContact CG1-CZ 4.22Å; V91-E106 HydrophobicContact CG2-CB 4.32Å; V91-L107 HydrophobicContact CG2-CB 4.25Å; V91-L107 HydrophobicContact CG2-CD1 4.04Å; V91-L110 HydrophobicContact CG2-CB 4.26Å; V91-L110 HydrophobicContact CG2-CD2 3.79Å |
| 92 | N | 86.2 | Confident | 80.3 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 33% | 0.326 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 154.3 | 178.2 | -68.4 | -54.7 | 0 | 0 | 0 | 111.6 | F103 E106 | N92-F103 WeakPolarHBondContact O-CD2 3.43Å; N92-E106 PolarHBondContact N-OE2 3.15Å |
| 93 | C | 83.7 | Confident | 80.5 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 132.4 | 171.5 | -65.2 | 0 | 0 | 0 | 0 | 109.1 | S75 A95 | S75-C93 VanDerWaalsContact CB-SG 3.52Å; S75-C93 PolarHBondContact OG-SG 2.87Å; S75-C93 VanDerWaalsContact OG-SG 3.38Å; C93-A95 PolarHBondContact O-N 2.95Å |
| 94 | P | 80.2 | Confident | 80.8 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.3 | 175.4 | 25.9 | -31.7 | 0 | 0 | 0 | 110 | T71 D96 L97 F103 | T71-P94 HydrophobicContact CG2-CG 3.95Å; P94-D96 VanDerWaalsContact C-N 3.33Å; P94-L97 HydrophobicContact CG-CD2 4.21Å; P94-F103 HydrophobicContact CB-CB 4.32Å; P94-F103 HydrophobicContact CG-CB 4.42Å |
| 95 | A | 77.5 | Confident | 81.3 | Confident | 120 Ų | 120 | 69.6 Ų | 69.6 | 99% | 0.992 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -70 | -33.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | C93 | C93-A95 PolarHBondContact O-N 2.95Š|
| 96 | D | 77.6 | Confident | 82 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | trans | -123.6 | 123 | 173.9 | -175.4 | 4.2 | 0 | 0 | 0 | 109.8 | P94 A98 D99 | P94-D96 VanDerWaalsContact C-N 3.33Å; D96-A98 PolarHBondContact O-N 3.31Å; D96-A98 WeakPolarHBondContact OD1-CB 3.49Å; D96-A98 PolarHBondContact OD1-N 2.74Å; D96-D99 CarbonylContact O-C 3.31Å; D96-D99 PolarHBondContact O-N 3.47Å | ||
| 97 | L | 76.5 | Confident | 82.8 | Confident | 72 Ų | 72 | 63 Ų | 63 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.7 | 177.3 | -67.6 | 170 | 0 | 0 | 0 | 112.6 | A68 P94 V100 | A68-L97 HydrophobicContact CB-CD1 4.24Å; P94-L97 HydrophobicContact CG-CD2 4.21Å; L97-V100 WeakPolarHBondContact O-CG2 3.32Å |
| 98 | A | 73.3 | Confident | 83.5 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 73% | 0.727 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -30.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D96 | D96-A98 PolarHBondContact O-N 3.31Å; D96-A98 WeakPolarHBondContact OD1-CB 3.49Å; D96-A98 PolarHBondContact OD1-N 2.74Å |
| 99 | D | 81.2 | Confident | 84.3 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | trans | -112.3 | 82.7 | 176.7 | -171.9 | 15.5 | 0 | 0 | 0 | 112.3 | D96 S101 | D96-D99 CarbonylContact O-C 3.31Å; D96-D99 PolarHBondContact O-N 3.47Å; D99-S101 PolarHBondContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.46Å; D99-S101 PolarHBondContact OD1-N 3.2Å; D99-S101 VanDerWaalsContact OD1-N 3.08Å; D99-S101 PolarHBondContact OD1-OG 3.48Å | ||
| 100 | V | 83.8 | Confident | 84.8 | Confident | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | trans | -78.7 | 2.8 | 176 | -161.7 | 0 | 0 | 0 | 0 | 111.7 | P65 L97 A102 F103 M104 | P65-V100 HydrophobicContact CB-CG1 3.94Å; L97-V100 WeakPolarHBondContact O-CG2 3.32Å; V100-A102 PolarHBondContact O-N 2.88Å; V100-F103 HydrophobicContact CG1-CB 4.21Å; V100-F103 HydrophobicContact CG1-CD1 3.75Å; V100-F103 HydrophobicContact CG1-CG 4.33Å; V100-F103 PolarHBondContact O-N 3.24Å; V100-M104 HydrophobicContact CG1-CG 4.04Å; V100-M104 WeakPolarHBondContact O-CG 3.46Å; V100-M104 PolarHBondContact O-N 3.14Å | ||
| 101 | S | 87.2 | Confident | 85.4 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 46% | 0.462 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | -171.3 | -49.5 | 0 | 0 | 0 | 0 | 112.2 | D99 M104 L105 | D99-S101 PolarHBondContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.46Å; D99-S101 PolarHBondContact OD1-N 3.2Å; D99-S101 VanDerWaalsContact OD1-N 3.08Å; D99-S101 PolarHBondContact OD1-OG 3.48Å; S101-M104 PolarHBondContact O-N 3.02Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 3.35Å; S101-L105 VanDerWaalsContact O-N 3.09Å |
| 102 | A | 87.1 | Confident | 85.6 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V100 M104 L105 E106 | V100-A102 PolarHBondContact O-N 2.88Å; A102-M104 VanDerWaalsContact C-N 3.31Å; A102-M104 PolarHBondContact O-N 3.46Å; A102-L105 PolarHBondContact O-N 3.02Å; A102-L105 VanDerWaalsContact O-N 3.08Å; A102-E106 PolarHBondContact O-N 3.48Å |
| 103 | F | 90.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.3 | -44.4 | 175.7 | 171 | -93.4 | 0 | 0 | 0 | 112.3 | T71 V74 V91 N92 P94 V100 L105 L107 L130 | T71-F103 HydrophobicContact CG2-CD2 4.45Å; T71-F103 HydrophobicContact CG2-CE1 4.27Å; T71-F103 HydrophobicContact CG2-CE2 4.16Å; T71-F103 HydrophobicContact CG2-CZ 4.07Å; V74-F103 HydrophobicContact CB-CE2 4.28Å; V74-F103 HydrophobicContact CB-CZ 3.97Å; V74-F103 HydrophobicContact CG1-CE2 4.15Å; V74-F103 HydrophobicContact CG1-CZ 3.84Å; V74-F103 HydrophobicContact CG2-CZ 4.42Å; V91-F103 HydrophobicContact CG1-CD2 3.46Å; V91-F103 VanDerWaalsContact CG1-CD2 3.46Å; V91-F103 HydrophobicContact CG1-CE2 3.34Å; V91-F103 HydrophobicContact CG1-CG 4.41Å; V91-F103 HydrophobicContact CG1-CZ 4.22Å; N92-F103 WeakPolarHBondContact O-CD2 3.43Å; P94-F103 HydrophobicContact CB-CB 4.32Å; P94-F103 HydrophobicContact CG-CB 4.42Å; V100-F103 HydrophobicContact CG1-CB 4.21Å; V100-F103 HydrophobicContact CG1-CD1 3.75Å; V100-F103 HydrophobicContact CG1-CG 4.33Å; V100-F103 PolarHBondContact O-N 3.24Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 3.3Å; F103-L107 HydrophobicContact CE1-CD2 4.25Å; F103-L107 VanDerWaalsContact O-CB 3.26Å; F103-L107 WeakPolarHBondContact O-CB 3.43Å; F103-L107 PolarHBondContact O-N 3.45Å; F103-L130 HydrophobicContact CE1-CD1 4.47Å |
| 104 | M | 89.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.054 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.5 | -28.1 | 179.8 | -70.3 | -54.6 | -66.9 | 0 | 0 | 113.2 | V100 S101 A102 L107 S108 S126 R129 L130 | V100-M104 HydrophobicContact CG1-CG 4.04Å; V100-M104 WeakPolarHBondContact O-CG 3.46Å; V100-M104 PolarHBondContact O-N 3.14Å; S101-M104 PolarHBondContact O-N 3.02Å; A102-M104 VanDerWaalsContact C-N 3.31Å; A102-M104 PolarHBondContact O-N 3.46Å; M104-L107 HydrophobicContact CE-CD2 4.47Å; M104-L107 HydrophobicContact SD-CD2 4.34Å; M104-S108 WeakPolarHBondContact O-CB 3.13Å; M104-S108 PolarHBondContact O-N 3.43Å; M104-S108 VanDerWaalsContact O-N 3.09Å; M104-S108 PolarHBondContact O-OG 3.25Å; M104-S126 WeakPolarHBondContact CE-O 3.48Å; M104-R129 HydrophobicContact CE-CB 4.33Å; M104-L130 HydrophobicContact CE-CD1 3.77Å; M104-L130 HydrophobicContact CE-CG 3.76Å; M104-L130 HydrophobicContact SD-CD1 3.61Å; M104-L130 HydrophobicContact SD-CG 4.24Å |
| 105 | L | 89.2 | Confident | 86 | Confident | 115 Ų | 115 | 57 Ų | 57 | 60% | 0.602 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.2 | -48 | 175.6 | -73.6 | 173.2 | 0 | 0 | 0 | 111.3 | S101 A102 F103 L107 S108 S109 | S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 3.35Å; S101-L105 VanDerWaalsContact O-N 3.09Å; A102-L105 PolarHBondContact O-N 3.02Å; A102-L105 VanDerWaalsContact O-N 3.08Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 3.3Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.4Å; L105-S108 WeakPolarHBondContact O-CA 3.15Å; L105-S108 WeakPolarHBondContact O-CB 3.37Å; L105-S108 PolarHBondContact O-N 3.4Å; L105-S109 PolarHBondContact O-N 3.36Å |
| 106 | E | 90.8 | Very high | 86.5 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 173.9 | -66.7 | 175.1 | 178.9 | 0 | 0 | 111.2 | V91 N92 A102 S108 S109 L110 | V91-E106 HydrophobicContact CG2-CB 4.32Å; N92-E106 PolarHBondContact N-OE2 3.15Å; A102-E106 PolarHBondContact O-N 3.48Å; E106-S108 VanDerWaalsContact C-N 3.26Å; E106-S108 PolarHBondContact O-N 3.26Å; E106-S109 WeakPolarHBondContact CA-OG 3.48Å; E106-S109 PolarHBondContact O-N 3.49Å; E106-S109 PolarHBondContact O-OG 3.17Å; E106-L110 WeakPolarHBondContact O-CB 3.47Å; E106-L110 PolarHBondContact O-N 3.42Å |
| 107 | L | 91.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -36 | 174.9 | -174.1 | 64.2 | 0 | 0 | 0 | 111.7 | V74 V91 F103 M104 L105 L111 L130 L139 | V74-L107 HydrophobicContact CG1-CD1 3.84Å; V91-L107 HydrophobicContact CG2-CB 4.25Å; V91-L107 HydrophobicContact CG2-CD1 4.04Å; F103-L107 HydrophobicContact CE1-CD2 4.25Å; F103-L107 VanDerWaalsContact O-CB 3.26Å; F103-L107 WeakPolarHBondContact O-CB 3.43Å; F103-L107 PolarHBondContact O-N 3.45Å; M104-L107 HydrophobicContact CE-CD2 4.47Å; M104-L107 HydrophobicContact SD-CD2 4.34Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.4Å; L107-L111 HydrophobicContact CD1-CD1 4.35Å; L107-L111 HydrophobicContact CD1-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.01Å; L107-L111 HydrophobicContact CG-CG 4.4Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 WeakPolarHBondContact O-CG 2.8Å; L107-L111 PolarHBondContact O-N 3.46Å; L107-L130 HydrophobicContact CD2-CD1 3.93Å; L107-L139 HydrophobicContact CD1-CD1 4.01Å; L107-L139 HydrophobicContact CD1-CD2 4.37Å; L107-L139 HydrophobicContact CD2-CD1 4.3Å; L107-L139 HydrophobicContact CD2-CD2 3.77Å; L107-L139 HydrophobicContact CG-CD1 4.49Å |
| 108 | S | 90 | Very high | 87.4 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.4 | -35.8 | 178.6 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | M104 L105 E106 K112 R129 | M104-S108 WeakPolarHBondContact O-CB 3.13Å; M104-S108 PolarHBondContact O-N 3.43Å; M104-S108 VanDerWaalsContact O-N 3.09Å; M104-S108 PolarHBondContact O-OG 3.25Å; L105-S108 WeakPolarHBondContact O-CA 3.15Å; L105-S108 WeakPolarHBondContact O-CB 3.37Å; L105-S108 PolarHBondContact O-N 3.4Å; E106-S108 VanDerWaalsContact C-N 3.26Å; E106-S108 PolarHBondContact O-N 3.26Å; S108-K112 WeakPolarHBondContact O-CB 3.4Å; S108-K112 VanDerWaalsContact O-CG 3.24Å; S108-K112 WeakPolarHBondContact O-CG 3.23Å; S108-K112 PolarHBondContact O-N 3.29Å; S108-R129 PolarHBondContact OG-NH1 2.97Å |
| 109 | S | 89.5 | Confident | 88 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -50.1 | 174.5 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | E89 L105 E106 L111 K112 E113 | E89-S109 WeakPolarHBondContact OE2-CB 3.14Å; E89-S109 PolarHBondContact OE2-OG 2.87Å; L105-S109 PolarHBondContact O-N 3.36Å; E106-S109 WeakPolarHBondContact CA-OG 3.48Å; E106-S109 PolarHBondContact O-N 3.49Å; E106-S109 PolarHBondContact O-OG 3.17Å; S109-L111 PolarHBondContact O-N 2.9Å; S109-K112 PolarHBondContact O-N 2.95Å; S109-K112 VanDerWaalsContact O-N 3.15Å; S109-E113 PolarHBondContact O-N 3.13Å |
| 110 | L | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.4 | -48.7 | 176.8 | -179.7 | 70.5 | 0 | 0 | 0 | 112.5 | L87 E89 V91 E106 K112 E113 M114 L143 | L87-L110 HydrophobicContact CD1-CD1 4.03Å; E89-L110 HydrophobicContact CB-CB 4.45Å; E89-L110 HydrophobicContact CB-CD1 4.46Å; V91-L110 HydrophobicContact CG2-CB 4.26Å; V91-L110 HydrophobicContact CG2-CD2 3.79Å; E106-L110 WeakPolarHBondContact O-CB 3.47Å; E106-L110 PolarHBondContact O-N 3.42Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 3.34Å; L110-E113 PolarHBondContact O-N 3.36Å; L110-M114 HydrophobicContact CD1-CG 4.33Å; L110-M114 WeakPolarHBondContact O-CB 3.43Å; L110-M114 WeakPolarHBondContact O-CG 3.34Å; L110-M114 PolarHBondContact O-N 2.96Å; L110-L143 HydrophobicContact CD2-CD2 4.23Å |
| 111 | L | 91.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -29 | -178.2 | -70.9 | 175.8 | 0 | 0 | 0 | 113.2 | L107 S109 S115 C116 L121 I122 L139 F142 | L107-L111 HydrophobicContact CD1-CD1 4.35Å; L107-L111 HydrophobicContact CD1-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.01Å; L107-L111 HydrophobicContact CG-CG 4.4Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 WeakPolarHBondContact O-CG 2.8Å; L107-L111 PolarHBondContact O-N 3.46Å; S109-L111 PolarHBondContact O-N 2.9Å; L111-S115 PolarHBondContact O-N 3.4Å; L111-C116 HydrophobicContact CB-CB 4.12Å; L111-C116 HydrophobicContact CD2-CB 4.03Å; L111-C116 WeakPolarHBondContact O-CB 3.25Å; L111-C116 PolarHBondContact O-N 3.13Å; L111-L121 HydrophobicContact CD1-CB 4.04Å; L111-I122 HydrophobicContact CB-CG1 4.31Å; L111-L139 HydrophobicContact CD1-CD1 3.9Å; L111-L139 HydrophobicContact CD2-CD1 3.9Å; L111-L139 HydrophobicContact CG-CD1 4.37Å; L111-F142 HydrophobicContact CD2-CD1 3.71Å; L111-F142 HydrophobicContact CD2-CE1 3.74Å |
| 112 | K | 89.1 | Confident | 88.2 | Confident | 134 Ų | 134 | 47 Ų | 47 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -73.5 | -43.5 | 174.3 | -78 | 176.1 | -179.2 | -177.8 | 0 | 111.3 | S108 S109 L110 M114 S115 I122 | S108-K112 WeakPolarHBondContact O-CB 3.4Å; S108-K112 VanDerWaalsContact O-CG 3.24Å; S108-K112 WeakPolarHBondContact O-CG 3.23Å; S108-K112 PolarHBondContact O-N 3.29Å; S109-K112 PolarHBondContact O-N 2.95Å; S109-K112 VanDerWaalsContact O-N 3.15Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 3.34Å; K112-M114 VanDerWaalsContact C-N 3.34Å; K112-S115 PolarHBondContact O-N 2.99Å; K112-S115 VanDerWaalsContact O-N 3.13Å; K112-I122 HydrophobicContact CG-CG2 3.84Å |
| 113 | E | 89.1 | Confident | 88.1 | Confident | 79 Ų | 79 | 50.2 Ų | 50.2 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 175.7 | -170 | 178.1 | 179.1 | 0 | 0 | 110.8 | L87 E89 S109 L110 S115 | L87-E113 VanDerWaalsContact CD2-CD 3.45Å; L87-E113 HydrophobicContact CD2-CG 3.81Å; L87-E113 WeakPolarHBondContact CD2-OE1 3.35Å; E89-E113 WeakPolarHBondContact CB-OE2 3.43Å; E89-E113 VanDerWaalsContact CG-OE2 3.22Å; E89-E113 WeakPolarHBondContact CG-OE2 3.38Å; S109-E113 PolarHBondContact O-N 3.13Å; L110-E113 PolarHBondContact O-N 3.36Å; E113-S115 PolarHBondContact O-N 3.49Å; E113-S115 VanDerWaalsContact O-N 3.12Å |
| 114 | M | 85.8 | Confident | 87.8 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 1.9 | 176.9 | -68.9 | -63.4 | -72.3 | 0 | 0 | 114.7 | L87 L110 K112 C116 F142 E146 | L87-M114 HydrophobicContact CD1-CG 4.15Å; L87-M114 HydrophobicContact CD1-SD 3.51Å; L87-M114 VanDerWaalsContact CD1-SD 3.51Å; L87-M114 HydrophobicContact CD2-CG 4.34Å; L87-M114 HydrophobicContact CD2-SD 3.66Å; L87-M114 HydrophobicContact CG-SD 4.13Å; L110-M114 HydrophobicContact CD1-CG 4.33Å; L110-M114 WeakPolarHBondContact O-CB 3.43Å; L110-M114 WeakPolarHBondContact O-CG 3.34Å; L110-M114 PolarHBondContact O-N 2.96Å; K112-M114 VanDerWaalsContact C-N 3.34Å; M114-C116 VanDerWaalsContact C-N 3.34Å; M114-C116 PolarHBondContact O-N 2.92Å; M114-F142 HydrophobicContact CB-CE1 4.12Å; M114-F142 HydrophobicContact CB-CZ 4.09Å; M114-E146 HydrophobicContact CE-CB 3.61Å; M114-E146 HydrophobicContact CE-CG 3.61Å |
| 115 | S | 85.4 | Confident | 87.4 | Confident | 99 Ų | 99 | 56 Ų | 56 | 69% | 0.692 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 47.5 | 180 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | L111 K112 E113 | L111-S115 PolarHBondContact O-N 3.4Å; K112-S115 PolarHBondContact O-N 2.99Å; K112-S115 VanDerWaalsContact O-N 3.13Å; E113-S115 PolarHBondContact O-N 3.49Å; E113-S115 VanDerWaalsContact O-N 3.12Å |
| 116 | C | 87.3 | Confident | 87.1 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | trans | -58 | 131.6 | -176.4 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | L111 M114 Y118 I122 F142 | L111-C116 HydrophobicContact CB-CB 4.12Å; L111-C116 HydrophobicContact CD2-CB 4.03Å; L111-C116 WeakPolarHBondContact O-CB 3.25Å; L111-C116 PolarHBondContact O-N 3.13Å; M114-C116 VanDerWaalsContact C-N 3.34Å; M114-C116 PolarHBondContact O-N 2.92Å; C116-Y118 VanDerWaalsContact C-N 3.26Å; C116-Y118 PolarHBondContact O-N 3.44Å; C116-I122 HydrophobicContact CB-CD1 3.81Å; C116-I122 HydrophobicContact CB-CG1 4.38Å; C116-I122 WeakPolarHBondContact O-CD1 3.38Å; C116-F142 HydrophobicContact CB-CD1 4.28Å; C116-F142 HydrophobicContact CB-CE1 3.72Å; C116-F142 HydrophobicContact CB-CE2 4.26Å; C116-F142 HydrophobicContact CB-CZ 3.71Å | ||
| 117 | P | 86.8 | Confident | 86.5 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -78.4 | -7.3 | -176.6 | 31.4 | -36.5 | 0 | 0 | 0 | 113.8 | N119 | P117-N119 PolarHBondContact O-N 3.36Š|
| 118 | Y | 87 | Confident | 86.1 | Confident | 54 Ų | 54 | 57 Ų | 57 | 21% | 0.212 | 34% | 0.335 | C | S | . | . | trans | -91 | 93.5 | -176.2 | -60 | -62.8 | 0 | 0 | 0 | 111 | C116 N120 L121 N138 F142 | C116-Y118 VanDerWaalsContact C-N 3.26Å; C116-Y118 PolarHBondContact O-N 3.44Å; Y118-N120 PolarHBondContact O-N 2.93Å; Y118-N120 VanDerWaalsContact O-N 3.09Å; Y118-L121 HydrophobicContact CD2-CD1 4.06Å; Y118-L121 HydrophobicContact CG-CD1 4.28Å; Y118-L121 WeakPolarHBondContact O-CB 3.42Å; Y118-L121 PolarHBondContact O-N 3.43Å; Y118-N138 HydrophobicContact CD2-CB 4.22Å; Y118-N138 HydrophobicContact CE1-CB 4.45Å; Y118-N138 HydrophobicContact CE2-CB 4.18Å; Y118-N138 HydrophobicContact CG-CB 4.4Å; Y118-F142 HydrophobicContact CD2-CB 4.35Å; Y118-F142 HydrophobicContact CE2-CB 4.01Å; Y118-F142 HydrophobicContact CE2-CD2 4.35Å; Y118-F142 HydrophobicContact CE2-CG 4.48Å | ||
| 119 | N | 84.1 | Confident | 86.1 | Confident | 97 Ų | 97 | 58.1 Ų | 58.1 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.6 | -32.8 | 179.5 | -63 | -11.8 | 0 | 0 | 0 | 112.8 | P117 L121 I122 E123 | P117-N119 PolarHBondContact O-N 3.36Å; N119-L121 PolarHBondContact O-N 2.93Å; N119-L121 VanDerWaalsContact O-N 3.17Å; N119-I122 PolarHBondContact O-N 3.24Å; N119-E123 HydrophobicContact CB-CG 4.47Å; N119-E123 WeakPolarHBondContact O-CB 3.39Å; N119-E123 PolarHBondContact O-N 3.48Å |
| 120 | N | 85.3 | Confident | 86.1 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.4 | -12.1 | 177.2 | 67.6 | -73.5 | 0 | 0 | 0 | 114.4 | Y118 | Y118-N120 PolarHBondContact O-N 2.93Å; Y118-N120 VanDerWaalsContact O-N 3.09Å |
| 121 | L | 87.3 | Confident | 85.9 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -98.5 | -18.8 | 174.8 | -62.4 | -178.7 | 0 | 0 | 0 | 113 | L111 Y118 N119 R129 L130 A135 N138 L139 | L111-L121 HydrophobicContact CD1-CB 4.04Å; Y118-L121 HydrophobicContact CD2-CD1 4.06Å; Y118-L121 HydrophobicContact CG-CD1 4.28Å; Y118-L121 WeakPolarHBondContact O-CB 3.42Å; Y118-L121 PolarHBondContact O-N 3.43Å; N119-L121 PolarHBondContact O-N 2.93Å; N119-L121 VanDerWaalsContact O-N 3.17Å; L121-R129 WeakPolarHBondContact O-CD 3.33Å; L121-R129 PolarHBondContact O-NH1 3.35Å; L121-L130 HydrophobicContact CD2-CD2 3.82Å; L121-A135 HydrophobicContact CD2-CB 3.91Å; L121-N138 HydrophobicContact CD1-CB 4.39Å; L121-L139 HydrophobicContact CD1-CB 4.06Å; L121-L139 HydrophobicContact CD1-CD1 4.34Å |
| 122 | I | 85.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.179 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -106.4 | -36.5 | -177.7 | -61.6 | 160 | 0 | 0 | 0 | 112.1 | L111 K112 C116 N119 R129 | L111-I122 HydrophobicContact CB-CG1 4.31Å; K112-I122 HydrophobicContact CG-CG2 3.84Å; C116-I122 HydrophobicContact CB-CD1 3.81Å; C116-I122 HydrophobicContact CB-CG1 4.38Å; C116-I122 WeakPolarHBondContact O-CD1 3.38Å; N119-I122 PolarHBondContact O-N 3.24Å; I122-R129 PolarHBondContact O-NH1 3.44Å; I122-R129 PolarHBondContact O-NH2 2.79Å; I122-R129 VanDerWaalsContact O-NH2 3.12Å |
| 123 | E | 83.6 | Confident | 85.9 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -95.9 | 156.5 | -173.2 | -60.3 | 179.9 | 174.3 | 0 | 0 | 112.2 | N119 R129 | N119-E123 HydrophobicContact CB-CG 4.47Å; N119-E123 WeakPolarHBondContact O-CB 3.39Å; N119-E123 PolarHBondContact O-N 3.48Å; E123-R129 WeakPolarHBondContact O-CD 3.4Å; E123-R129 PolarHBondContact O-NE 3.32Å |
| 124 | G | 84.3 | Confident | 86 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 80.5 | -173.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S126 R129 | G124-S126 PolarHBondContact O-N 2.88Å; G124-R129 VanDerWaalsContact O-CZ 3.29Å; G124-R129 PolarHBondContact O-NE 2.95Å; G124-R129 PolarHBondContact O-NH2 3.24Å |
| 125 | P | 82.6 | Confident | 86.3 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | trans | -65.4 | 128.4 | -177.2 | -19.2 | 31.1 | 0 | 0 | 0 | 111.9 | S127 S128 R129 | P125-S127 PolarHBondContact O-N 3.22Å; P125-S127 VanDerWaalsContact O-N 3.16Å; P125-S128 PolarHBondContact O-N 2.88Å; P125-S128 PolarHBondContact O-OG 3.23Å; P125-R129 WeakPolarHBondContact O-CG 3.44Å | ||
| 126 | S | 81.7 | Confident | 86.7 | Confident | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -50.3 | -41.7 | -178.7 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | M104 G124 S128 R129 | M104-S126 WeakPolarHBondContact CE-O 3.48Å; G124-S126 PolarHBondContact O-N 2.88Å; S126-S128 PolarHBondContact O-N 3.45Å; S126-R129 PolarHBondContact O-N 3.45Å |
| 127 | S | 78 | Confident | 87 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 73% | 0.734 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.7 | -24.4 | 178.8 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | P125 | P125-S127 PolarHBondContact O-N 3.22Å; P125-S127 VanDerWaalsContact O-N 3.16Å |
| 128 | S | 84.8 | Confident | 87.3 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -96.1 | -17.4 | -174 | 69.7 | 0 | 0 | 0 | 0 | 114.3 | P125 S126 L130 S131 | P125-S128 PolarHBondContact O-N 2.88Å; P125-S128 PolarHBondContact O-OG 3.23Å; S126-S128 PolarHBondContact O-N 3.45Å; S128-L130 PolarHBondContact O-N 3.2Å; S128-S131 VanDerWaalsContact O-CB 3.25Å; S128-S131 WeakPolarHBondContact O-CB 3.25Å; S128-S131 PolarHBondContact O-N 2.88Å; S128-S131 PolarHBondContact O-OG 3.22Å |
| 129 | R | 88.5 | Confident | 87.6 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -34.4 | -170.1 | -60.9 | -172.9 | -162.1 | 153.1 | 3.1 | 113.7 | M104 S108 L121 I122 E123 G124 P125 S126 A135 | M104-R129 HydrophobicContact CE-CB 4.33Å; S108-R129 PolarHBondContact OG-NH1 2.97Å; L121-R129 WeakPolarHBondContact O-CD 3.33Å; L121-R129 PolarHBondContact O-NH1 3.35Å; I122-R129 PolarHBondContact O-NH1 3.44Å; I122-R129 PolarHBondContact O-NH2 2.79Å; I122-R129 VanDerWaalsContact O-NH2 3.12Å; E123-R129 WeakPolarHBondContact O-CD 3.4Å; E123-R129 PolarHBondContact O-NE 3.32Å; G124-R129 VanDerWaalsContact O-CZ 3.29Å; G124-R129 PolarHBondContact O-NE 2.95Å; G124-R129 PolarHBondContact O-NH2 3.24Å; P125-R129 WeakPolarHBondContact O-CG 3.44Å; S126-R129 PolarHBondContact O-N 3.45Å; R129-A135 WeakPolarHBondContact O-CB 3.36Å |
| 130 | L | 90.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 17.7 | 177.8 | -59.7 | -178.6 | 0 | 0 | 0 | 113.4 | P65 F70 F103 M104 L107 L121 S128 T132 R136 L139 | P65-L130 HydrophobicContact CB-CD1 4.4Å; P65-L130 HydrophobicContact CG-CB 4.13Å; F70-L130 HydrophobicContact CE1-CD1 3.99Å; F70-L130 HydrophobicContact CZ-CD1 4.26Å; F103-L130 HydrophobicContact CE1-CD1 4.47Å; M104-L130 HydrophobicContact CE-CD1 3.77Å; M104-L130 HydrophobicContact CE-CG 3.76Å; M104-L130 HydrophobicContact SD-CD1 3.61Å; M104-L130 HydrophobicContact SD-CG 4.24Å; L107-L130 HydrophobicContact CD2-CD1 3.93Å; L121-L130 HydrophobicContact CD2-CD2 3.82Å; S128-L130 PolarHBondContact O-N 3.2Å; L130-T132 VanDerWaalsContact C-N 3.33Å; L130-T132 PolarHBondContact O-N 2.91Å; L130-R136 HydrophobicContact CB-CG 4.14Å; L130-R136 HydrophobicContact CD2-CG 4.46Å; L130-R136 WeakPolarHBondContact O-CD 3.44Å; L130-R136 WeakPolarHBondContact O-CG 3.18Å; L130-L139 HydrophobicContact CD1-CD2 4.17Å; L130-L139 HydrophobicContact CD2-CB 4.34Å; L130-L139 HydrophobicContact CD2-CD2 3.9Å |
| 131 | S | 87.2 | Confident | 88.4 | Confident | 83 Ų | 83 | 45 Ų | 45 | 58% | 0.58 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -69.4 | -28.9 | -179.4 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | S128 | S128-S131 VanDerWaalsContact O-CB 3.25Å; S128-S131 WeakPolarHBondContact O-CB 3.25Å; S128-S131 PolarHBondContact O-N 2.88Å; S128-S131 PolarHBondContact O-OG 3.22Å |
| 132 | T | 90.3 | Very high | 88.8 | Confident | 72 Ų | 72 | 45 Ų | 45 | 44% | 0.442 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -97.1 | 145 | -178.2 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | L130 V134 A135 R136 | L130-T132 VanDerWaalsContact C-N 3.33Å; L130-T132 PolarHBondContact O-N 2.91Å; T132-V134 PolarHBondContact O-N 2.73Å; T132-A135 PolarHBondContact O-N 3.16Å; T132-A135 VanDerWaalsContact OG1-CB 3.23Å; T132-A135 WeakPolarHBondContact OG1-CB 3.34Å; T132-A135 PolarHBondContact OG1-N 3.29Å; T132-A135 VanDerWaalsContact OG1-N 3.11Å; T132-R136 PolarHBondContact O-N 3.41Å; T132-R136 VanDerWaalsContact O-N 3.16Å; T132-R136 PolarHBondContact O-NE 2.91Å |
| 133 | K | 90.1 | Very high | 89.1 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.1 | -37.2 | 171.8 | -171 | 178.1 | -171.8 | 152.5 | 0 | 111.9 | E58 D62 R136 Y137 | E58-K133 IonicContact OE1-NZ 3.79Å; E58-K133 PolarHBondContact OE1-NZ 3.31Å; D62-K133 WeakPolarHBondContact OD1-CD 3.44Å; D62-K133 WeakPolarHBondContact OD1-CE 3.22Å; D62-K133 IonicContact OD1-NZ 3.83Å; D62-K133 PolarHBondContact OD1-NZ 2.71Å; D62-K133 IonicContact OD2-NZ 3.09Å; D62-K133 PolarHBondContact OD2-NZ 2.77Å; K133-R136 PolarHBondContact O-N 3.43Å; K133-Y137 WeakPolarHBondContact O-CB 3.35Å; K133-Y137 PolarHBondContact O-N 3.23Å |
| 134 | V | 91.2 | Very high | 89.5 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 178.1 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | P33 T132 Y137 N138 | P33-V134 HydrophobicContact CG-CG2 4.49Å; T132-V134 PolarHBondContact O-N 2.73Å; V134-Y137 PolarHBondContact O-N 3.34Å; V134-N138 WeakPolarHBondContact O-CB 3.42Å; V134-N138 VanDerWaalsContact O-CG 3.25Å; V134-N138 PolarHBondContact O-N 3.17Å |
| 135 | A | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L121 R129 T132 N138 L139 | L121-A135 HydrophobicContact CD2-CB 3.91Å; R129-A135 WeakPolarHBondContact O-CB 3.36Å; T132-A135 PolarHBondContact O-N 3.16Å; T132-A135 VanDerWaalsContact OG1-CB 3.23Å; T132-A135 WeakPolarHBondContact OG1-CB 3.34Å; T132-A135 PolarHBondContact OG1-N 3.29Å; T132-A135 VanDerWaalsContact OG1-N 3.11Å; A135-N138 PolarHBondContact O-N 2.95Å; A135-L139 PolarHBondContact O-N 3.44Å |
| 136 | R | 93.4 | Very high | 90.3 | Very high | 24 Ų | 24 | 34 Ų | 34 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 175.6 | -68.4 | 178.8 | -76 | 176 | 4.3 | 112 | L61 D62 G64 F70 L130 T132 K133 L139 V140 | L61-R136 HydrophobicContact CD2-CB 4.08Å; L61-R136 WeakPolarHBondContact O-CD 3.42Å; L61-R136 PolarHBondContact O-NE 3.16Å; L61-R136 PolarHBondContact O-NH1 3.44Å; L61-R136 PolarHBondContact O-NH2 3.38Å; D62-R136 PolarHBondContact O-NH1 3.37Å; D62-R136 PolarHBondContact O-NH2 3.35Å; G64-R136 VanDerWaalsContact CA-CD 3.4Å; F70-R136 HydrophobicContact CE2-CB 3.93Å; F70-R136 HydrophobicContact CE2-CG 4.09Å; F70-R136 HydrophobicContact CZ-CB 4.2Å; F70-R136 HydrophobicContact CZ-CG 4Å; L130-R136 HydrophobicContact CB-CG 4.14Å; L130-R136 HydrophobicContact CD2-CG 4.46Å; L130-R136 WeakPolarHBondContact O-CD 3.44Å; L130-R136 WeakPolarHBondContact O-CG 3.18Å; T132-R136 PolarHBondContact O-N 3.41Å; T132-R136 VanDerWaalsContact O-N 3.16Å; T132-R136 PolarHBondContact O-NE 2.91Å; K133-R136 PolarHBondContact O-N 3.43Å; R136-L139 PolarHBondContact O-N 3.16Å; R136-V140 PolarHBondContact O-N 3.42Å |
| 137 | Y | 94 | Very high | 90.6 | Very high | 25 Ų | 25 | 32 Ų | 32 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -51.1 | 172.7 | 176.1 | -88 | 0 | 0 | 0 | 111.8 | P33 D34 M35 L38 L61 K133 V134 L139 V140 N141 | P33-Y137 HydrophobicContact CB-CD1 3.81Å; P33-Y137 HydrophobicContact CB-CD2 3.36Å; P33-Y137 HydrophobicContact CB-CE1 3.94Å; P33-Y137 HydrophobicContact CB-CE2 3.49Å; P33-Y137 VanDerWaalsContact CB-CE2 3.49Å; P33-Y137 HydrophobicContact CB-CG 3.53Å; P33-Y137 HydrophobicContact CG-CD2 4.42Å; P33-Y137 HydrophobicContact CG-CG 4.28Å; D34-Y137 PolarHBondContact N-OH 3.4Å; D34-Y137 WeakPolarHBondContact O-CE2 3.34Å; D34-Y137 PolarHBondContact O-OH 2.9Å; M35-Y137 HydrophobicContact CE-CD2 3.98Å; M35-Y137 HydrophobicContact SD-CD2 3.89Å; M35-Y137 HydrophobicContact SD-CE2 4.11Å; L38-Y137 HydrophobicContact CB-CD2 4.42Å; L38-Y137 HydrophobicContact CB-CE2 3.68Å; L38-Y137 HydrophobicContact CD2-CD2 3.53Å; L38-Y137 HydrophobicContact CD2-CE2 3.68Å; L38-Y137 HydrophobicContact CD2-CG 4.41Å; L38-Y137 HydrophobicContact CG-CD2 4.47Å; L38-Y137 HydrophobicContact CG-CE2 4.16Å; L61-Y137 HydrophobicContact CD1-CD2 4.3Å; K133-Y137 WeakPolarHBondContact O-CB 3.35Å; K133-Y137 PolarHBondContact O-N 3.23Å; V134-Y137 PolarHBondContact O-N 3.34Å; Y137-L139 VanDerWaalsContact C-N 3.25Å; Y137-L139 PolarHBondContact O-N 3.17Å; Y137-V140 PolarHBondContact O-N 3.07Å; Y137-N141 HydrophobicContact CE1-CB 4.29Å; Y137-N141 VanDerWaalsContact O-CB 3.23Å; Y137-N141 WeakPolarHBondContact O-CB 3.39Å; Y137-N141 PolarHBondContact O-N 3.13Å |
| 138 | N | 92.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 30.1 Ų | 30.1 | 15% | 0.15 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -35.7 | -178.8 | -73 | -10.4 | 0 | 0 | 0 | 112.1 | Y118 L121 V134 A135 F142 | Y118-N138 HydrophobicContact CD2-CB 4.22Å; Y118-N138 HydrophobicContact CE1-CB 4.45Å; Y118-N138 HydrophobicContact CE2-CB 4.18Å; Y118-N138 HydrophobicContact CG-CB 4.4Å; L121-N138 HydrophobicContact CD1-CB 4.39Å; V134-N138 WeakPolarHBondContact O-CB 3.42Å; V134-N138 VanDerWaalsContact O-CG 3.25Å; V134-N138 PolarHBondContact O-N 3.17Å; A135-N138 PolarHBondContact O-N 2.95Å; N138-F142 WeakPolarHBondContact O-CB 3.31Å; N138-F142 PolarHBondContact O-N 3.46Å |
| 139 | L | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -56 | 175.3 | 176.6 | 68.2 | 0 | 0 | 0 | 111.3 | F70 V74 L107 L111 L121 L130 A135 R136 Y137 N141 F142 L143 | F70-L139 HydrophobicContact CZ-CD2 4.11Å; V74-L139 HydrophobicContact CG1-CD2 4.42Å; V74-L139 HydrophobicContact CG2-CD2 3.92Å; L107-L139 HydrophobicContact CD1-CD1 4.01Å; L107-L139 HydrophobicContact CD1-CD2 4.37Å; L107-L139 HydrophobicContact CD2-CD1 4.3Å; L107-L139 HydrophobicContact CD2-CD2 3.77Å; L107-L139 HydrophobicContact CG-CD1 4.49Å; L111-L139 HydrophobicContact CD1-CD1 3.9Å; L111-L139 HydrophobicContact CD2-CD1 3.9Å; L111-L139 HydrophobicContact CG-CD1 4.37Å; L121-L139 HydrophobicContact CD1-CB 4.06Å; L121-L139 HydrophobicContact CD1-CD1 4.34Å; L130-L139 HydrophobicContact CD1-CD2 4.17Å; L130-L139 HydrophobicContact CD2-CB 4.34Å; L130-L139 HydrophobicContact CD2-CD2 3.9Å; A135-L139 PolarHBondContact O-N 3.44Å; R136-L139 PolarHBondContact O-N 3.16Å; Y137-L139 VanDerWaalsContact C-N 3.25Å; Y137-L139 PolarHBondContact O-N 3.17Å; L139-N141 VanDerWaalsContact C-N 3.31Å; L139-N141 PolarHBondContact O-N 2.88Å; L139-F142 WeakPolarHBondContact O-CB 3.34Å; L139-F142 PolarHBondContact O-N 2.76Å; L139-L143 HydrophobicContact CD1-CD1 4.19Å; L139-L143 HydrophobicContact CD1-CG 4.36Å; L139-L143 HydrophobicContact CG-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 3.19Å |
| 140 | V | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | -178.6 | 178 | 0 | 0 | 0 | 0 | 110.1 | L38 L61 F70 L73 L77 R136 Y137 F142 L143 C144 | L38-V140 HydrophobicContact CD1-CB 4.45Å; L38-V140 HydrophobicContact CD1-CG1 4.07Å; L38-V140 HydrophobicContact CD2-CB 4.39Å; L38-V140 HydrophobicContact CD2-CG1 4.23Å; L38-V140 HydrophobicContact CG-CG1 4.41Å; L61-V140 HydrophobicContact CD2-CG2 3.87Å; F70-V140 HydrophobicContact CE2-CG2 4.32Å; L73-V140 HydrophobicContact CD2-CG1 4.32Å; L73-V140 HydrophobicContact CD2-CG2 4.23Å; L77-V140 HydrophobicContact CD1-CG1 4.09Å; R136-V140 PolarHBondContact O-N 3.42Å; Y137-V140 PolarHBondContact O-N 3.07Å; V140-F142 VanDerWaalsContact C-N 3.34Å; V140-F142 PolarHBondContact O-N 2.47Å; V140-L143 PolarHBondContact O-N 3.29Å; V140-C144 WeakPolarHBondContact O-CB 3.08Å; V140-C144 PolarHBondContact O-N 3.08Å; V140-C144 PolarHBondContact O-SG 3.03Å |
| 141 | N | 93.2 | Very high | 90.8 | Very high | 46 Ų | 46 | 30.3 Ų | 30.3 | 25% | 0.246 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 177.4 | -169.1 | 47.8 | 0 | 0 | 0 | 112.1 | L38 Y137 L139 S145 | L38-N141 VanDerWaalsContact CD1-CA 3.48Å; L38-N141 HydrophobicContact CD1-CB 3.69Å; Y137-N141 HydrophobicContact CE1-CB 4.29Å; Y137-N141 VanDerWaalsContact O-CB 3.23Å; Y137-N141 WeakPolarHBondContact O-CB 3.39Å; Y137-N141 PolarHBondContact O-N 3.13Å; L139-N141 VanDerWaalsContact C-N 3.31Å; L139-N141 PolarHBondContact O-N 2.88Å; N141-S145 WeakPolarHBondContact O-CB 3.48Å; N141-S145 PolarHBondContact O-N 3.13Å; N141-S145 PolarHBondContact O-OG 3.49Å |
| 142 | F | 93.9 | Very high | 90.7 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -53.6 | 175.9 | 178.7 | -109.8 | 0 | 0 | 0 | 111.2 | L111 M114 C116 Y118 N138 L139 V140 C144 S145 E146 | L111-F142 HydrophobicContact CD2-CD1 3.71Å; L111-F142 HydrophobicContact CD2-CE1 3.74Å; M114-F142 HydrophobicContact CB-CE1 4.12Å; M114-F142 HydrophobicContact CB-CZ 4.09Å; C116-F142 HydrophobicContact CB-CD1 4.28Å; C116-F142 HydrophobicContact CB-CE1 3.72Å; C116-F142 HydrophobicContact CB-CE2 4.26Å; C116-F142 HydrophobicContact CB-CZ 3.71Å; Y118-F142 HydrophobicContact CD2-CB 4.35Å; Y118-F142 HydrophobicContact CE2-CB 4.01Å; Y118-F142 HydrophobicContact CE2-CD2 4.35Å; Y118-F142 HydrophobicContact CE2-CG 4.48Å; N138-F142 WeakPolarHBondContact O-CB 3.31Å; N138-F142 PolarHBondContact O-N 3.46Å; L139-F142 WeakPolarHBondContact O-CB 3.34Å; L139-F142 PolarHBondContact O-N 2.76Å; V140-F142 VanDerWaalsContact C-N 3.34Å; V140-F142 PolarHBondContact O-N 2.47Å; F142-C144 VanDerWaalsContact C-N 3.31Å; F142-C144 PolarHBondContact O-N 2.9Å; F142-S145 WeakPolarHBondContact CA-OG 3.22Å; F142-S145 PolarHBondContact O-N 3.17Å; F142-S145 VanDerWaalsContact O-N 3.09Å; F142-S145 PolarHBondContact O-OG 3.37Å; F142-E146 HydrophobicContact CD1-CG 4.33Å; F142-E146 HydrophobicContact CD2-CG 4.12Å; F142-E146 HydrophobicContact CE1-CG 3.91Å; F142-E146 HydrophobicContact CE2-CG 3.67Å; F142-E146 VanDerWaalsContact CE2-OE1 3.28Å; F142-E146 WeakPolarHBondContact CE2-OE1 3.36Å; F142-E146 HydrophobicContact CG-CG 4.43Å; F142-E146 HydrophobicContact CZ-CG 3.55Å; F142-E146 WeakPolarHBondContact O-CG 3.35Å; F142-E146 PolarHBondContact O-N 3.49Å |
| 143 | L | 92.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | -178.8 | -65.1 | 176.3 | 0 | 0 | 0 | 112.1 | V74 L77 L81 L110 L139 V140 E146 L147 | V74-L143 HydrophobicContact CG1-CD1 4.06Å; L77-L143 HydrophobicContact CB-CB 4.18Å; L77-L143 HydrophobicContact CB-CD1 4.17Å; L77-L143 HydrophobicContact CD1-CB 4.16Å; L77-L143 HydrophobicContact CD1-CD1 4.35Å; L81-L143 HydrophobicContact CD1-CB 4.35Å; L81-L143 HydrophobicContact CD1-CD2 3.76Å; L110-L143 HydrophobicContact CD2-CD2 4.23Å; L139-L143 HydrophobicContact CD1-CD1 4.19Å; L139-L143 HydrophobicContact CD1-CG 4.36Å; L139-L143 HydrophobicContact CG-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 3.19Å; V140-L143 PolarHBondContact O-N 3.29Å; L143-E146 PolarHBondContact O-N 3.48Å; L143-L147 VanDerWaalsContact O-CB 3.28Å; L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 PolarHBondContact O-N 2.85Å |
| 144 | C | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 172.7 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | A41 V140 F142 E146 L147 E148 | A41-C144 HydrophobicContact CB-CB 4.12Å; V140-C144 WeakPolarHBondContact O-CB 3.08Å; V140-C144 PolarHBondContact O-N 3.08Å; V140-C144 PolarHBondContact O-SG 3.03Å; F142-C144 VanDerWaalsContact C-N 3.31Å; F142-C144 PolarHBondContact O-N 2.9Å; C144-E146 VanDerWaalsContact C-N 3.32Å; C144-E146 PolarHBondContact O-N 3.3Å; C144-L147 PolarHBondContact O-N 3.13Å; C144-L147 VanDerWaalsContact O-N 3.15Å; C144-E148 WeakPolarHBondContact O-CG 3.46Å; C144-E148 PolarHBondContact O-N 3.21Å |
| 145 | S | 91.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 31.2 Ų | 31.2 | 33% | 0.329 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.2 | -36.6 | -179.6 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | N141 F142 A149 | N141-S145 WeakPolarHBondContact O-CB 3.48Å; N141-S145 PolarHBondContact O-N 3.13Å; N141-S145 PolarHBondContact O-OG 3.49Å; F142-S145 WeakPolarHBondContact CA-OG 3.22Å; F142-S145 PolarHBondContact O-N 3.17Å; F142-S145 VanDerWaalsContact O-N 3.09Å; F142-S145 PolarHBondContact O-OG 3.37Å; S145-A149 VanDerWaalsContact O-CB 3.29Å; S145-A149 WeakPolarHBondContact O-CB 3.34Å; S145-A149 PolarHBondContact O-N 2.77Å |
| 146 | E | 91.2 | Very high | 88.5 | Confident | 13 Ų | 13 | 33.9 Ų | 33.9 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70 | -37 | 175 | -67.9 | -52.3 | 140.9 | 0 | 0 | 111.8 | R18 L81 M114 F142 L143 C144 A149 S150 | R18-E146 IonicContact CZ-OE1 3.57Å; R18-E146 IonicContact CZ-OE2 2.85Å; R18-E146 IonicContact NH1-OE1 2.69Å; R18-E146 PolarHBondContact NH1-OE1 2.88Å; R18-E146 IonicContact NH1-OE2 2.75Å; R18-E146 PolarHBondContact NH1-OE2 3.19Å; R18-E146 IonicContact NH2-OE1 3.3Å; R18-E146 IonicContact NH2-OE2 2.9Å; R18-E146 PolarHBondContact NH2-OE2 2.92Å; L81-E146 HydrophobicContact CD2-CB 3.97Å; M114-E146 HydrophobicContact CE-CB 3.61Å; M114-E146 HydrophobicContact CE-CG 3.61Å; F142-E146 HydrophobicContact CD1-CG 4.33Å; F142-E146 HydrophobicContact CD2-CG 4.12Å; F142-E146 HydrophobicContact CE1-CG 3.91Å; F142-E146 HydrophobicContact CE2-CG 3.67Å; F142-E146 VanDerWaalsContact CE2-OE1 3.28Å; F142-E146 WeakPolarHBondContact CE2-OE1 3.36Å; F142-E146 HydrophobicContact CG-CG 4.43Å; F142-E146 HydrophobicContact CZ-CG 3.55Å; F142-E146 WeakPolarHBondContact O-CG 3.35Å; F142-E146 PolarHBondContact O-N 3.49Å; L143-E146 PolarHBondContact O-N 3.48Å; C144-E146 VanDerWaalsContact C-N 3.32Å; C144-E146 PolarHBondContact O-N 3.3Å; E146-A149 PolarHBondContact O-N 3.29Å; E146-S150 WeakPolarHBondContact O-CB 3.38Å; E146-S150 PolarHBondContact O-N 3.15Å; E146-S150 PolarHBondContact O-OG 3.15Å |
| 147 | L | 88.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.2 | -46.5 | 178.4 | -179 | 57.8 | 0 | 0 | 0 | 110.9 | C45 L47 L77 A80 L81 E84 L143 C144 A149 S150 Q151 | C45-L147 HydrophobicContact CB-CD2 3.7Å; C45-L147 HydrophobicContact CB-CG 4.47Å; L47-L147 HydrophobicContact CD1-CD2 4.19Å; L77-L147 HydrophobicContact CD2-CD2 4.11Å; A80-L147 HydrophobicContact CB-CD1 4Å; A80-L147 HydrophobicContact CB-CD2 3.7Å; L81-L147 HydrophobicContact CD2-CB 3.86Å; L81-L147 HydrophobicContact CD2-CD1 4.18Å; L81-L147 HydrophobicContact CG-CB 4.1Å; L81-L147 HydrophobicContact CG-CD1 4.22Å; E84-L147 HydrophobicContact CG-CD1 4.35Å; L143-L147 VanDerWaalsContact O-CB 3.28Å; L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 PolarHBondContact O-N 2.85Å; C144-L147 PolarHBondContact O-N 3.13Å; C144-L147 VanDerWaalsContact O-N 3.15Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 3.17Å; L147-S150 PolarHBondContact O-N 3.08Å; L147-S150 VanDerWaalsContact O-N 3.16Å; L147-Q151 HydrophobicContact CD1-CG 4.46Å; L147-Q151 WeakPolarHBondContact O-CG 3.26Å; L147-Q151 PolarHBondContact O-N 3.26Å |
| 148 | E | 88.6 | Confident | 86.6 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58 | -44.6 | 173.8 | -72.2 | -179.3 | 159.1 | 0 | 0 | 111.1 | A41 C144 S150 Q151 I152 | A41-E148 WeakPolarHBondContact CA-OE1 3.25Å; C144-E148 WeakPolarHBondContact O-CG 3.46Å; C144-E148 PolarHBondContact O-N 3.21Å; E148-S150 VanDerWaalsContact C-N 3.32Å; E148-S150 PolarHBondContact O-N 3.25Å; E148-Q151 PolarHBondContact O-N 2.79Å; E148-I152 VanDerWaalsContact O-CG1 3.26Å; E148-I152 WeakPolarHBondContact O-CG1 3.28Å; E148-I152 PolarHBondContact O-N 3.01Å |
| 149 | A | 86.2 | Confident | 84.9 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S145 E146 L147 I152 L153 | S145-A149 VanDerWaalsContact O-CB 3.29Å; S145-A149 WeakPolarHBondContact O-CB 3.34Å; S145-A149 PolarHBondContact O-N 2.77Å; E146-A149 PolarHBondContact O-N 3.29Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 3.17Å; A149-I152 PolarHBondContact O-N 2.83Å; A149-L153 WeakPolarHBondContact O-CG 3.44Å; A149-L153 PolarHBondContact O-N 3.43Å |
| 150 | S | 86.2 | Confident | 83.4 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 178.9 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | T85 E146 L147 E148 I152 L153 S154 | T85-S150 WeakPolarHBondContact CG2-OG 3.47Å; E146-S150 WeakPolarHBondContact O-CB 3.38Å; E146-S150 PolarHBondContact O-N 3.15Å; E146-S150 PolarHBondContact O-OG 3.15Å; L147-S150 PolarHBondContact O-N 3.08Å; L147-S150 VanDerWaalsContact O-N 3.16Å; E148-S150 VanDerWaalsContact C-N 3.32Å; E148-S150 PolarHBondContact O-N 3.25Å; S150-I152 PolarHBondContact O-N 3.22Å; S150-L153 PolarHBondContact O-N 2.85Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 2.99Å |
| 151 | Q | 84.9 | Confident | 81.5 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 27% | 0.271 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.7 | -72 | 174.9 | -7.1 | 0 | 0 | 112 | E84 L147 E148 L153 S154 E155 | E84-Q151 HydrophobicContact CG-CG 4.29Å; L147-Q151 HydrophobicContact CD1-CG 4.46Å; L147-Q151 WeakPolarHBondContact O-CG 3.26Å; L147-Q151 PolarHBondContact O-N 3.26Å; E148-Q151 PolarHBondContact O-N 2.79Å; Q151-L153 VanDerWaalsContact C-N 3.31Å; Q151-L153 PolarHBondContact O-N 2.87Å; Q151-S154 WeakPolarHBondContact O-CB 3.25Å; Q151-S154 PolarHBondContact O-N 3.42Å; Q151-E155 WeakPolarHBondContact O-CG 3.44Å; Q151-E155 PolarHBondContact O-N 3.28Å |
| 152 | I | 83.7 | Confident | 79.3 | Confident | 121 Ų | 121 | 57.8 Ų | 57.8 | 62% | 0.621 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.3 | -42.7 | 176 | -68.6 | 164.3 | 0 | 0 | 0 | 110.7 | E148 A149 S150 A156 | E148-I152 VanDerWaalsContact O-CG1 3.26Å; E148-I152 WeakPolarHBondContact O-CG1 3.28Å; E148-I152 PolarHBondContact O-N 3.01Å; A149-I152 PolarHBondContact O-N 2.83Å; S150-I152 PolarHBondContact O-N 3.22Å; I152-A156 WeakPolarHBondContact O-CB 3.38Å; I152-A156 PolarHBondContact O-N 3.35Å |
| 153 | L | 82 | Confident | 77.1 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 177.7 | -69.5 | 173.3 | 0 | 0 | 0 | 112.4 | A149 S150 Q151 A156 K157 | A149-L153 WeakPolarHBondContact O-CG 3.44Å; A149-L153 PolarHBondContact O-N 3.43Å; S150-L153 PolarHBondContact O-N 2.85Å; Q151-L153 VanDerWaalsContact C-N 3.31Å; Q151-L153 PolarHBondContact O-N 2.87Å; L153-A156 PolarHBondContact O-N 3.49Å; L153-K157 WeakPolarHBondContact O-CG 3.38Å; L153-K157 PolarHBondContact O-N 3.26Å |
| 154 | S | 80.4 | Confident | 75 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 15% | 0.154 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 174.9 | -174 | 0 | 0 | 0 | 0 | 110.8 | E84 S150 Q151 K157 K158 | E84-S154 WeakPolarHBondContact OE2-CB 3.13Å; E84-S154 PolarHBondContact OE2-OG 3.39Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 2.99Å; Q151-S154 WeakPolarHBondContact O-CB 3.25Å; Q151-S154 PolarHBondContact O-N 3.42Å; S154-K157 PolarHBondContact O-N 3.2Å; S154-K158 WeakPolarHBondContact O-CG 3.4Å; S154-K158 PolarHBondContact O-N 3.19Å |
| 155 | E | 77.9 | Confident | 73 | Confident | 59 Ų | 59 | 77.5 Ų | 77.5 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.2 | -69.4 | -56.1 | 134 | 0 | 0 | 112.4 | Q151 K157 K158 H159 | Q151-E155 WeakPolarHBondContact O-CG 3.44Å; Q151-E155 PolarHBondContact O-N 3.28Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 3.37Å; E155-K158 PolarHBondContact O-N 3.06Å; E155-K158 IonicContact OE1-NZ 4Å; E155-K158 PolarHBondContact OE1-NZ 3.19Å; E155-H159 PolarHBondContact O-CD2 3.47Å; E155-H159 PolarHBondContact O-N 3.13Å |
| 156 | A | 76.7 | Confident | 71.1 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I152 L153 H159 S160 | I152-A156 WeakPolarHBondContact O-CB 3.38Å; I152-A156 PolarHBondContact O-N 3.35Å; L153-A156 PolarHBondContact O-N 3.49Å; A156-H159 PolarHBondContact O-N 3.32Å; A156-S160 PolarHBondContact O-N 3.15Å |
| 157 | K | 75.8 | Confident | 69.3 | Low | 140 Ų | 140 | 85 Ų | 85 | 61% | 0.609 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -46.9 | 174 | -74.9 | 173.8 | -175.8 | 175 | 0 | 111.5 | L153 S154 E155 H159 S160 G161 | L153-K157 WeakPolarHBondContact O-CG 3.38Å; L153-K157 PolarHBondContact O-N 3.26Å; S154-K157 PolarHBondContact O-N 3.2Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 3.37Å; K157-H159 VanDerWaalsContact C-N 3.26Å; K157-H159 PolarHBondContact O-N 2.91Å; K157-S160 PolarHBondContact O-N 3.15Å; K157-S160 VanDerWaalsContact O-N 3.08Å; K157-S160 PolarHBondContact O-OG 3.46Å; K157-G161 PolarHBondContact O-N 3.41Å; K157-G161 VanDerWaalsContact O-N 3.14Å |
| 158 | K | 72.2 | Confident | 67.5 | Low | 104 Ų | 104 | 86.8 Ų | 86.8 | 45% | 0.452 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 177.4 | -69.7 | 172 | -164.3 | 168.7 | 0 | 111.4 | S154 E155 G161 N162 | S154-K158 WeakPolarHBondContact O-CG 3.4Å; S154-K158 PolarHBondContact O-N 3.19Å; E155-K158 PolarHBondContact O-N 3.06Å; E155-K158 IonicContact OE1-NZ 4Å; E155-K158 PolarHBondContact OE1-NZ 3.19Å; K158-G161 PolarHBondContact O-N 3.35Å; K158-N162 PolarHBondContact O-N 3.23Å |
| 159 | H | 57.6 | Low | 65.8 | Low | 105 Ų | 105 | 86.7 Ų | 86.7 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.5 | -28.1 | 176.9 | -72.1 | -59.5 | 0 | 0 | 0 | 114.2 | E155 A156 K157 G161 | E155-H159 PolarHBondContact O-CD2 3.47Å; E155-H159 PolarHBondContact O-N 3.13Å; A156-H159 PolarHBondContact O-N 3.32Å; K157-H159 VanDerWaalsContact C-N 3.26Å; K157-H159 PolarHBondContact O-N 2.91Å; H159-G161 VanDerWaalsContact C-N 3.34Å |
| 160 | S | 62.4 | Low | 64.3 | Low | 103 Ų | 103 | 92.2 Ų | 92.2 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.1 | -27.6 | 173.4 | 72.8 | 0 | 0 | 0 | 0 | 113.3 | A156 K157 | A156-S160 PolarHBondContact O-N 3.15Å; K157-S160 PolarHBondContact O-N 3.15Å; K157-S160 VanDerWaalsContact O-N 3.08Å; K157-S160 PolarHBondContact O-OG 3.46Å |
| 161 | G | 54.4 | Low | 62.9 | Low | 59 Ų | 59 | 94.2 Ų | 94.2 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -99.5 | -32 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K157 K158 H159 | K157-G161 PolarHBondContact O-N 3.41Å; K157-G161 VanDerWaalsContact O-N 3.14Å; K158-G161 PolarHBondContact O-N 3.35Å; H159-G161 VanDerWaalsContact C-N 3.34Å |
| 162 | N | 45.9 | Very low | 61.9 | Low | 114 Ų | 114 | 95.7 Ų | 95.7 | 61% | 0.61 | 53% | 0.534 | S | S | * | . | trans | -113.6 | 99.6 | -176.2 | -81.9 | -33.3 | 0 | 0 | 0 | 111.5 | K158 D164 | K158-N162 PolarHBondContact O-N 3.23Å; N162-D164 PolarHBondContact O-N 3.12Å; N162-D164 VanDerWaalsContact O-N 3.07Å | ||
| 163 | L | 48.9 | Very low | 60.9 | Low | 162 Ų | 162 | 96.7 Ų | 96.7 | 85% | 0.848 | 53% | 0.534 | S | S | * | . | trans | -74.3 | 33.2 | 162.7 | -84.5 | 149 | 0 | 0 | 0 | 112.2 | E165 | L163-E165 PolarHBondContact O-N 3.47Š| ||
| 164 | D | 47.1 | Very low | 60.3 | Low | 106 Ų | 106 | 98.9 Ų | 98.9 | 57% | 0.567 | 54% | 0.541 | S | S | * | . | trans | -87.1 | 87.6 | 171 | -98.5 | -7.9 | 0 | 0 | 0 | 108.7 | N162 G166 | N162-D164 PolarHBondContact O-N 3.12Å; N162-D164 VanDerWaalsContact O-N 3.07Å; D164-G166 PolarHBondContact O-N 3.44Å | ||
| 165 | E | 52.1 | Low | 59.5 | Low | 154 Ų | 154 | 104.4 Ų | 104.4 | 72% | 0.72 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -55.7 | -20 | -176.7 | -62.2 | -169.9 | 159.7 | 0 | 0 | 114.3 | L163 S168 S169 | L163-E165 PolarHBondContact O-N 3.47Å; E165-S168 PolarHBondContact O-OG 2.93Å; E165-S169 PolarHBondContact O-OG 3.37Å |
| 166 | G | 50 | Low | 58.8 | Low | 55 Ų | 55 | 104 Ų | 104 | 57% | 0.567 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77 | -42.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D164 | D164-G166 PolarHBondContact O-N 3.44Å |
| 167 | K | 52.9 | Low | 58.3 | Low | 163 Ų | 163 | 107.7 Ų | 107.7 | 71% | 0.709 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -80.1 | -34.4 | -176.7 | -72.5 | -178.3 | -178.7 | 170.7 | 0 | 112.6 | S169 Q170 S171 | K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 3.47Å; K167-Q170 PolarHBondContact O-N 3.39Å; K167-S171 PolarHBondContact O-N 3.1Å |
| 168 | S | 51.4 | Low | 57.8 | Low | 38 Ų | 38 | 104.4 Ų | 104.4 | 27% | 0.266 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.8 | -40.2 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 112 | E165 Q170 S171 V172 | E165-S168 PolarHBondContact O-OG 2.93Å; S168-Q170 VanDerWaalsContact C-N 3.31Å; S168-Q170 PolarHBondContact O-N 3.33Å; S168-S171 PolarHBondContact O-N 3.36Å; S168-V172 VanDerWaalsContact O-CG2 3.25Å; S168-V172 WeakPolarHBondContact O-CG2 3.35Å; S168-V172 PolarHBondContact O-N 3.31Å; S168-V172 VanDerWaalsContact O-N 3.12Å |
| 169 | S | 52.9 | Low | 57.6 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 43% | 0.434 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.9 | -32.6 | 179.4 | -64 | 0 | 0 | 0 | 0 | 113.6 | E165 K167 K173 | E165-S169 PolarHBondContact O-OG 3.37Å; K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 3.47Å; S169-K173 VanDerWaalsContact O-CG 3.26Å; S169-K173 WeakPolarHBondContact O-CG 3.26Å; S169-K173 PolarHBondContact O-N 3.47Å |
| 170 | Q | 55.1 | Low | 58 | Low | 143 Ų | 143 | 100.3 Ų | 100.3 | 67% | 0.668 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.2 | -45.4 | 179.4 | -71.1 | -176.8 | -32.1 | 0 | 0 | 112.1 | K167 S168 V172 K173 E174 | K167-Q170 PolarHBondContact O-N 3.39Å; S168-Q170 VanDerWaalsContact C-N 3.31Å; S168-Q170 PolarHBondContact O-N 3.33Å; Q170-V172 VanDerWaalsContact C-N 3.34Å; Q170-V172 PolarHBondContact O-N 3.47Å; Q170-K173 PolarHBondContact O-N 3.41Å; Q170-E174 PolarHBondContact O-N 2.72Å; Q170-E174 VanDerWaalsContact O-N 3.1Å |
| 171 | S | 57.5 | Low | 58.1 | Low | 52 Ų | 52 | 103.7 Ų | 103.7 | 36% | 0.364 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -37.8 | 178.9 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | K167 S168 E174 K175 | K167-S171 PolarHBondContact O-N 3.1Å; S168-S171 PolarHBondContact O-N 3.36Å; S171-E174 PolarHBondContact O-N 3Å; S171-K175 PolarHBondContact O-N 2.99Å; S171-K175 VanDerWaalsContact O-N 3.15Å |
| 172 | V | 63.4 | Low | 58.8 | Low | 89 Ų | 89 | 107.9 Ų | 107.9 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.3 | -38.9 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | S168 Q170 A176 | S168-V172 VanDerWaalsContact O-CG2 3.25Å; S168-V172 WeakPolarHBondContact O-CG2 3.35Å; S168-V172 PolarHBondContact O-N 3.31Å; S168-V172 VanDerWaalsContact O-N 3.12Å; Q170-V172 VanDerWaalsContact C-N 3.34Å; Q170-V172 PolarHBondContact O-N 3.47Å; V172-A176 VanDerWaalsContact O-CB 3.22Å; V172-A176 WeakPolarHBondContact O-CB 3.48Å; V172-A176 PolarHBondContact O-N 2.68Å |
| 173 | K | 63.5 | Low | 59.9 | Low | 142 Ų | 142 | 109 Ų | 109 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.4 | -47 | 176.1 | -77.1 | 176.5 | -176.6 | -176 | 0 | 111.9 | S169 Q170 K175 A176 D177 | S169-K173 VanDerWaalsContact O-CG 3.26Å; S169-K173 WeakPolarHBondContact O-CG 3.26Å; S169-K173 PolarHBondContact O-N 3.47Å; Q170-K173 PolarHBondContact O-N 3.41Å; K173-K175 VanDerWaalsContact C-N 3.34Å; K173-K175 PolarHBondContact O-N 2.88Å; K173-A176 PolarHBondContact O-N 3.13Å; K173-A176 VanDerWaalsContact O-N 3.15Å; K173-D177 VanDerWaalsContact O-CG 3.27Å; K173-D177 PolarHBondContact O-N 2.95Å |
| 174 | E | 67.8 | Low | 60.9 | Low | 149 Ų | 149 | 104 Ų | 104 | 70% | 0.696 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.2 | -43.8 | 179.2 | -172.5 | -178.8 | -177.5 | 0 | 0 | 112.1 | Q170 S171 D177 G178 | Q170-E174 PolarHBondContact O-N 2.72Å; Q170-E174 VanDerWaalsContact O-N 3.1Å; S171-E174 PolarHBondContact O-N 3Å; E174-D177 PolarHBondContact O-N 3.48Å; E174-G178 PolarHBondContact O-N 3.22Å |
| 175 | K | 64.1 | Low | 62.4 | Low | 139 Ų | 139 | 100.1 Ų | 100.1 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.5 | -36.8 | 175.4 | -72.8 | -175.2 | 178.4 | 177.8 | 0 | 112.8 | S171 K173 D177 G178 | S171-K175 PolarHBondContact O-N 2.99Å; S171-K175 VanDerWaalsContact O-N 3.15Å; K173-K175 VanDerWaalsContact C-N 3.34Å; K173-K175 PolarHBondContact O-N 2.88Å; K175-D177 VanDerWaalsContact C-N 3.33Å; K175-G178 PolarHBondContact O-N 3.44Å |
| 176 | A | 63.3 | Low | 63.7 | Low | 50 Ų | 50 | 99.4 Ų | 99.4 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.2 | -33.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V172 K173 G178 V179 | V172-A176 VanDerWaalsContact O-CB 3.22Å; V172-A176 WeakPolarHBondContact O-CB 3.48Å; V172-A176 PolarHBondContact O-N 2.68Å; K173-A176 PolarHBondContact O-N 3.13Å; K173-A176 VanDerWaalsContact O-N 3.15Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.32Å; A176-V179 PolarHBondContact O-N 3.01Å |
| 177 | D | 65.7 | Low | 65.2 | Low | 133 Ų | 133 | 98.8 Ų | 98.8 | 71% | 0.711 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70 | -25.7 | 176.1 | -70.9 | -27.9 | 0 | 0 | 0 | 112.5 | K173 E174 K175 V179 | K173-D177 VanDerWaalsContact O-CG 3.27Å; K173-D177 PolarHBondContact O-N 2.95Å; E174-D177 PolarHBondContact O-N 3.48Å; K175-D177 VanDerWaalsContact C-N 3.33Å; D177-V179 VanDerWaalsContact C-N 3.3Å; D177-V179 PolarHBondContact O-N 3.07Å |
| 178 | G | 65.9 | Low | 66.7 | Low | 71 Ų | 71 | 95 Ų | 95 | 73% | 0.732 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | E174 K175 A176 | E174-G178 PolarHBondContact O-N 3.22Å; K175-G178 PolarHBondContact O-N 3.44Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.32Å |
| 179 | V | 68.7 | Low | 68.2 | Low | 66 Ų | 66 | 96.5 Ų | 96.5 | 40% | 0.4 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -98.8 | 132.4 | 179.9 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | A176 D177 K181 L184 | A176-V179 PolarHBondContact O-N 3.01Å; D177-V179 VanDerWaalsContact C-N 3.3Å; D177-V179 PolarHBondContact O-N 3.07Å; V179-K181 PolarHBondContact O-N 3.25Å; V179-L184 HydrophobicContact CB-CD1 3.7Å; V179-L184 HydrophobicContact CB-CG 4.36Å; V179-L184 HydrophobicContact CG1-CD1 3.46Å; V179-L184 VanDerWaalsContact CG1-CD1 3.46Å; V179-L184 HydrophobicContact CG1-CD2 4.03Å; V179-L184 HydrophobicContact CG1-CG 3.57Å |
| 180 | S | 64.6 | Low | 69.6 | Low | 56 Ų | 56 | 100.9 Ų | 100.9 | 39% | 0.392 | 54% | 0.54 | S | S | . | . | trans | -57.4 | 129.2 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | D182 D183 L184 | S180-D182 PolarHBondContact O-N 3.25Å; S180-D182 VanDerWaalsContact O-N 3.17Å; S180-D182 PolarHBondContact OG-N 3.26Å; S180-D183 WeakPolarHBondContact CB-OD2 3.35Å; S180-D183 PolarHBondContact O-N 3.4Å; S180-D183 VanDerWaalsContact O-N 3.16Å; S180-L184 PolarHBondContact O-N 2.92Å | ||
| 181 | K | 65.4 | Low | 70.8 | Confident | 174 Ų | 174 | 97.2 Ų | 97.2 | 76% | 0.757 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.2 | -26.3 | 176.3 | -69.1 | 179.5 | -179.8 | 174.2 | 0 | 112.2 | V179 G185 | V179-K181 PolarHBondContact O-N 3.25Å; K181-G185 PolarHBondContact O-N 3.49Å |
| 182 | D | 69.5 | Low | 72 | Confident | 148 Ų | 148 | 102.4 Ų | 102.4 | 79% | 0.791 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.7 | -34.4 | 179.9 | -64.9 | -21.7 | 0 | 0 | 0 | 112.2 | S180 | S180-D182 PolarHBondContact O-N 3.25Å; S180-D182 VanDerWaalsContact O-N 3.17Å; S180-D182 PolarHBondContact OG-N 3.26Å |
| 183 | D | 68.9 | Low | 73 | Confident | 138 Ų | 138 | 99.9 Ų | 99.9 | 74% | 0.738 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76.3 | -31.7 | 179.3 | -65 | -34.8 | 0 | 0 | 0 | 112 | S180 | S180-D183 WeakPolarHBondContact CB-OD2 3.35Å; S180-D183 PolarHBondContact O-N 3.4Å; S180-D183 VanDerWaalsContact O-N 3.16Å |
| 184 | L | 70 | Confident | 74.1 | Confident | 55 Ų | 55 | 95.9 Ų | 95.9 | 29% | 0.288 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -83.9 | -22.9 | -176.3 | -76.5 | 169.7 | 0 | 0 | 0 | 113 | V179 S180 R269 | V179-L184 HydrophobicContact CB-CD1 3.7Å; V179-L184 HydrophobicContact CB-CG 4.36Å; V179-L184 HydrophobicContact CG1-CD1 3.46Å; V179-L184 VanDerWaalsContact CG1-CD1 3.46Å; V179-L184 HydrophobicContact CG1-CD2 4.03Å; V179-L184 HydrophobicContact CG1-CG 3.57Å; S180-L184 PolarHBondContact O-N 2.92Å; L184-R269 WeakPolarHBondContact O-CD 3.46Å; L184-R269 PolarHBondContact O-NE 3.11Å |
| 185 | G | 77.2 | Confident | 75.1 | Confident | 26 Ų | 26 | 92.9 Ų | 92.9 | 27% | 0.268 | 53% | 0.527 | S | S | . | . | trans | 67.7 | -179.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K181 N270 | K181-G185 PolarHBondContact O-N 3.49Å; G185-N270 WeakPolarHBondContact CA-OD1 3.22Å | ||
| 186 | Y | 80.5 | Confident | 76.4 | Confident | 139 Ų | 139 | 93.5 Ų | 93.5 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | trans | -93.7 | 144.3 | -178.6 | 63 | -90.7 | 0 | 0 | 0 | 112 | L188 N270 | Y186-L188 HydrophobicContact CE2-CD2 4.44Å; Y186-L188 PolarHBondContact O-N 3.4Å; Y186-N270 HydrophobicContact CD1-CB 3.93Å; Y186-N270 HydrophobicContact CD2-CB 4.12Å; Y186-N270 HydrophobicContact CE1-CB 3.56Å; Y186-N270 WeakPolarHBondContact CE1-ND2 3.46Å; Y186-N270 HydrophobicContact CE2-CB 3.77Å; Y186-N270 HydrophobicContact CG-CB 4.19Å; Y186-N270 VanDerWaalsContact CZ-CB 3.47Å; Y186-N270 PolarHBondContact N-OD1 2.98Å; Y186-N270 PolarHBondContact O-N 2.72Å; Y186-N270 VanDerWaalsContact O-N 3.15Å | ||
| 187 | A | 82.2 | Confident | 77.7 | Confident | 41 Ų | 41 | 98.3 Ų | 98.3 | 34% | 0.339 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -61.8 | 131.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F189 Q190 | A187-F189 PolarHBondContact O-N 2.99Å; A187-Q190 WeakPolarHBondContact O-CG 3.35Å; A187-Q190 PolarHBondContact O-NE2 3.33Å |
| 188 | L | 83.8 | Confident | 78.9 | Confident | 85 Ų | 85 | 95.7 Ų | 95.7 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -65.9 | -32.1 | 177.8 | -77.8 | 175.2 | 0 | 0 | 0 | 111.7 | Y186 A268 R269 N270 | Y186-L188 HydrophobicContact CE2-CD2 4.44Å; Y186-L188 PolarHBondContact O-N 3.4Å; L188-A268 HydrophobicContact CD1-CB 4.23Å; L188-A268 PolarHBondContact N-O 2.9Å; L188-R269 WeakPolarHBondContact CD1-O 3.36Å; L188-R269 WeakPolarHBondContact CG-O 3.09Å; L188-N270 HydrophobicContact CD2-CB 4.43Å |
| 189 | F | 83 | Confident | 80.2 | Confident | 69 Ų | 69 | 96.2 Ų | 96.2 | 30% | 0.303 | 51% | 0.506 | S | S | . | . | trans | -107.2 | 115.4 | -180 | -171.7 | -106.1 | 0 | 0 | 0 | 110.5 | A187 S191 L193 L266 | A187-F189 PolarHBondContact O-N 2.99Å; F189-S191 WeakPolarHBondContact CE1-O 3.12Å; F189-S191 WeakPolarHBondContact CE2-OG 3.39Å; F189-S191 WeakPolarHBondContact CZ-O 3.48Å; F189-S191 VanDerWaalsContact CZ-OG 3.24Å; F189-S191 WeakPolarHBondContact CZ-OG 3.5Å; F189-L193 HydrophobicContact CE1-CD1 4.41Å; F189-L193 HydrophobicContact CE1-CG 4.12Å; F189-L193 HydrophobicContact CE2-CD2 4.1Å; F189-L193 HydrophobicContact CE2-CG 4.38Å; F189-L193 HydrophobicContact CZ-CD1 3.95Å; F189-L193 HydrophobicContact CZ-CD2 3.6Å; F189-L193 HydrophobicContact CZ-CG 3.49Å; F189-L193 VanDerWaalsContact CZ-CG 3.49Å; F189-L266 HydrophobicContact CD1-CD2 3.39Å; F189-L266 HydrophobicContact CE1-CD2 3.78Å; F189-L266 HydrophobicContact CG-CD2 4.18Å | ||
| 190 | Q | 81.1 | Confident | 81.4 | Confident | 154 Ų | 154 | 96.1 Ų | 96.1 | 72% | 0.72 | 50% | 0.502 | S | S | * | . | trans | -117.9 | -11.8 | -173.3 | -62.8 | 179 | -7 | 0 | 0 | 113.9 | A187 | A187-Q190 WeakPolarHBondContact O-CG 3.35Å; A187-Q190 PolarHBondContact O-NE2 3.33Å | ||
| 191 | S | 79.9 | Confident | 82.7 | Confident | 65 Ų | 65 | 94.9 Ų | 94.9 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -93.6 | 159.5 | -176.9 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | F189 | F189-S191 WeakPolarHBondContact CE1-O 3.12Å; F189-S191 WeakPolarHBondContact CE2-OG 3.39Å; F189-S191 WeakPolarHBondContact CZ-O 3.48Å; F189-S191 VanDerWaalsContact CZ-OG 3.24Å; F189-S191 WeakPolarHBondContact CZ-OG 3.5Å |
| 192 | N | 83.7 | Confident | 84 | Confident | 162 Ų | 162 | 89.8 Ų | 89.8 | 87% | 0.866 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 143 | 168.4 | -65.8 | -40.9 | 0 | 0 | 0 | 110.7 | ||
| 193 | L | 83.9 | Confident | 85.2 | Confident | 36 Ų | 36 | 88.9 Ų | 88.9 | 19% | 0.188 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 141.8 | 173.8 | -60.5 | 178.1 | 0 | 0 | 0 | 110.8 | F189 R197 W198 V201 | F189-L193 HydrophobicContact CE1-CD1 4.41Å; F189-L193 HydrophobicContact CE1-CG 4.12Å; F189-L193 HydrophobicContact CE2-CD2 4.1Å; F189-L193 HydrophobicContact CE2-CG 4.38Å; F189-L193 HydrophobicContact CZ-CD1 3.95Å; F189-L193 HydrophobicContact CZ-CD2 3.6Å; F189-L193 HydrophobicContact CZ-CG 3.49Å; F189-L193 VanDerWaalsContact CZ-CG 3.49Å; L193-R197 HydrophobicContact CB-CB 4.17Å; L193-R197 HydrophobicContact CD2-CB 4.26Å; L193-W198 HydrophobicContact CB-CD2 4.07Å; L193-W198 HydrophobicContact CB-CG 4.23Å; L193-W198 HydrophobicContact CB-CZ2 4.09Å; L193-W198 HydrophobicContact CD1-CD2 3.93Å; L193-W198 HydrophobicContact CD1-CE3 3.83Å; L193-W198 HydrophobicContact CD1-CH2 3.86Å; L193-W198 HydrophobicContact CD1-CZ2 4Å; L193-W198 HydrophobicContact CD1-CZ3 3.76Å; L193-W198 HydrophobicContact CG-CZ2 4.3Å; L193-W198 PolarHBondContact O-NE1 3.3Å; L193-V201 HydrophobicContact CD1-CG2 3.96Å |
| 194 | S | 87.1 | Confident | 86.4 | Confident | 58 Ų | 58 | 87.1 Ų | 87.1 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 160.9 | 167.1 | 63.7 | 0 | 0 | 0 | 0 | 111 | E196 R197 W198 | S194-E196 VanDerWaalsContact C-N 3.26Å; S194-E196 PolarHBondContact O-N 2.97Å; S194-R197 PolarHBondContact O-N 3.34Å; S194-R197 WeakPolarHBondContact OG-CG 3.4Å; S194-R197 PolarHBondContact OG-N 2.95Å; S194-W198 VanDerWaalsContact O-CD1 3.24Å; S194-W198 PolarHBondContact O-N 3.06Å |
| 195 | A | 89 | Confident | 87.5 | Confident | 86 Ų | 86 | 85.4 Ų | 85.4 | 71% | 0.711 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -55.7 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R197 W198 D199 | A195-R197 PolarHBondContact O-N 3.5Å; A195-W198 WeakPolarHBondContact O-CB 3.29Å; A195-W198 PolarHBondContact O-N 3.42Å; A195-D199 PolarHBondContact O-N 2.78Å |
| 196 | E | 90.3 | Very high | 88.3 | Confident | 151 Ų | 151 | 90.1 Ų | 90.1 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.1 | -40.3 | 175.7 | -173 | -173.8 | 179.2 | 0 | 0 | 112.4 | S194 W198 D199 I200 | S194-E196 VanDerWaalsContact C-N 3.26Å; S194-E196 PolarHBondContact O-N 2.97Å; E196-W198 VanDerWaalsContact C-N 3.34Å; E196-D199 PolarHBondContact O-N 3.28Å; E196-I200 PolarHBondContact O-N 3.03Å |
| 197 | R | 90.3 | Very high | 89 | Confident | 152 Ų | 152 | 90.1 Ų | 90.1 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.4 | -33.5 | 177.2 | -71.8 | -178.7 | -178.8 | -168.4 | 1 | 112.1 | L193 S194 A195 D199 I200 V201 | L193-R197 HydrophobicContact CB-CB 4.17Å; L193-R197 HydrophobicContact CD2-CB 4.26Å; S194-R197 PolarHBondContact O-N 3.34Å; S194-R197 WeakPolarHBondContact OG-CG 3.4Å; S194-R197 PolarHBondContact OG-N 2.95Å; A195-R197 PolarHBondContact O-N 3.5Å; R197-D199 VanDerWaalsContact C-N 3.33Å; R197-I200 PolarHBondContact O-N 2.83Å; R197-V201 WeakPolarHBondContact O-CG2 3.33Å; R197-V201 PolarHBondContact O-N 3.03Å |
| 198 | W | 92.3 | Very high | 89.5 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 30% | 0.295 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 173.6 | -79.3 | 117.8 | 0 | 0 | 0 | 112.5 | L193 S194 A195 E196 I200 V201 N202 V262 L266 | L193-W198 HydrophobicContact CB-CD2 4.07Å; L193-W198 HydrophobicContact CB-CG 4.23Å; L193-W198 HydrophobicContact CB-CZ2 4.09Å; L193-W198 HydrophobicContact CD1-CD2 3.93Å; L193-W198 HydrophobicContact CD1-CE3 3.83Å; L193-W198 HydrophobicContact CD1-CH2 3.86Å; L193-W198 HydrophobicContact CD1-CZ2 4Å; L193-W198 HydrophobicContact CD1-CZ3 3.76Å; L193-W198 HydrophobicContact CG-CZ2 4.3Å; L193-W198 PolarHBondContact O-NE1 3.3Å; S194-W198 VanDerWaalsContact O-CD1 3.24Å; S194-W198 PolarHBondContact O-N 3.06Å; A195-W198 WeakPolarHBondContact O-CB 3.29Å; A195-W198 PolarHBondContact O-N 3.42Å; E196-W198 VanDerWaalsContact C-N 3.34Å; W198-I200 VanDerWaalsContact C-N 3.31Å; W198-I200 PolarHBondContact O-N 2.73Å; W198-V201 PolarHBondContact O-N 3.05Å; W198-N202 WeakPolarHBondContact O-CB 3.36Å; W198-N202 VanDerWaalsContact O-CG 3.28Å; W198-N202 PolarHBondContact O-N 3.24Å; W198-N202 PolarHBondContact O-ND2 2.89Å; W198-N202 VanDerWaalsContact O-ND2 3.14Å; W198-V262 HydrophobicContact CE3-CG1 4.16Å; W198-V262 HydrophobicContact CH2-CG1 4.46Å; W198-V262 HydrophobicContact CZ3-CG1 3.48Å; W198-V262 VanDerWaalsContact CZ3-CG1 3.48Å; W198-L266 HydrophobicContact CH2-CD1 3.5Å; W198-L266 VanDerWaalsContact CH2-CD1 3.5Å; W198-L266 HydrophobicContact CH2-CD2 3.67Å; W198-L266 HydrophobicContact CH2-CG 4.08Å; W198-L266 HydrophobicContact CZ2-CD1 4.45Å; W198-L266 HydrophobicContact CZ3-CD1 4.13Å; W198-L266 HydrophobicContact CZ3-CD2 4.3Å |
| 199 | D | 92.3 | Very high | 90 | Very high | 82 Ų | 82 | 92.9 Ų | 92.9 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 174.6 | 178.4 | 73.5 | 0 | 0 | 0 | 111.6 | A195 E196 R197 V201 N202 R203 | A195-D199 PolarHBondContact O-N 2.78Å; E196-D199 PolarHBondContact O-N 3.28Å; R197-D199 VanDerWaalsContact C-N 3.33Å; D199-V201 PolarHBondContact O-N 2.82Å; D199-N202 PolarHBondContact O-N 3.22Å; D199-R203 WeakPolarHBondContact O-CG 3.32Å; D199-R203 PolarHBondContact O-N 3.41Å; D199-R203 IonicContact OD2-CZ 2.84Å; D199-R203 IonicContact OD2-NE 3.09Å; D199-R203 PolarHBondContact OD2-NE 3.4Å; D199-R203 IonicContact OD2-NH2 3.39Å; D199-R203 PolarHBondContact OD2-NH2 2.92Å; D199-R203 VanDerWaalsContact OD2-NH2 3.09Å |
| 200 | I | 93.5 | Very high | 90.5 | Very high | 63 Ų | 63 | 92.6 Ų | 92.6 | 32% | 0.323 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 176.7 | -61.6 | 168.6 | 0 | 0 | 0 | 110.9 | E196 R197 W198 N202 R203 M204 | E196-I200 PolarHBondContact O-N 3.03Å; R197-I200 PolarHBondContact O-N 2.83Å; W198-I200 VanDerWaalsContact C-N 3.31Å; W198-I200 PolarHBondContact O-N 2.73Å; I200-N202 VanDerWaalsContact C-N 3.33Å; I200-N202 PolarHBondContact O-N 2.72Å; I200-R203 PolarHBondContact O-N 3.26Å; I200-M204 HydrophobicContact CG2-CE 3.67Å; I200-M204 HydrophobicContact CG2-CG 4.45Å; I200-M204 HydrophobicContact CG2-SD 4.16Å; I200-M204 WeakPolarHBondContact O-CG 3.23Å; I200-M204 PolarHBondContact O-N 3.26Å |
| 201 | V | 92.4 | Very high | 91.1 | Very high | 31 Ų | 31 | 88.4 Ų | 88.4 | 19% | 0.188 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 179.1 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | L193 R197 W198 D199 M204 N205 V262 L265 | L193-V201 HydrophobicContact CD1-CG2 3.96Å; R197-V201 WeakPolarHBondContact O-CG2 3.33Å; R197-V201 PolarHBondContact O-N 3.03Å; W198-V201 PolarHBondContact O-N 3.05Å; D199-V201 PolarHBondContact O-N 2.82Å; V201-M204 PolarHBondContact O-N 2.84Å; V201-N205 WeakPolarHBondContact O-CB 3.38Å; V201-N205 PolarHBondContact O-N 3.08Å; V201-V262 HydrophobicContact CG1-CG1 3.96Å; V201-V262 HydrophobicContact CG1-CG2 4.31Å; V201-L265 HydrophobicContact CG1-CD2 4.2Å |
| 202 | N | 93.5 | Very high | 91.8 | Very high | 67 Ų | 67 | 90.8 Ų | 90.8 | 36% | 0.358 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 176.8 | -74.4 | -35.1 | 0 | 0 | 0 | 111.4 | W198 D199 I200 M204 N205 E206 V262 | W198-N202 WeakPolarHBondContact O-CB 3.36Å; W198-N202 VanDerWaalsContact O-CG 3.28Å; W198-N202 PolarHBondContact O-N 3.24Å; W198-N202 PolarHBondContact O-ND2 2.89Å; W198-N202 VanDerWaalsContact O-ND2 3.14Å; D199-N202 PolarHBondContact O-N 3.22Å; I200-N202 VanDerWaalsContact C-N 3.33Å; I200-N202 PolarHBondContact O-N 2.72Å; N202-M204 PolarHBondContact O-N 2.93Å; N202-N205 WeakPolarHBondContact O-CB 3.32Å; N202-N205 PolarHBondContact O-N 3.03Å; N202-E206 WeakPolarHBondContact O-CG 3.44Å; N202-E206 PolarHBondContact O-N 3.33Å; N202-V262 WeakPolarHBondContact OD1-CG2 3.08Å |
| 203 | R | 94.7 | Very high | 92.3 | Very high | 129 Ų | 129 | 87 Ų | 87 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 175.3 | -74 | -170.4 | -74 | 137.5 | -5.6 | 112.3 | D199 I200 N205 E206 Q207 | D199-R203 WeakPolarHBondContact O-CG 3.32Å; D199-R203 PolarHBondContact O-N 3.41Å; D199-R203 IonicContact OD2-CZ 2.84Å; D199-R203 IonicContact OD2-NE 3.09Å; D199-R203 PolarHBondContact OD2-NE 3.4Å; D199-R203 IonicContact OD2-NH2 3.39Å; D199-R203 PolarHBondContact OD2-NH2 2.92Å; D199-R203 VanDerWaalsContact OD2-NH2 3.09Å; I200-R203 PolarHBondContact O-N 3.26Å; R203-N205 VanDerWaalsContact C-N 3.35Å; R203-N205 PolarHBondContact O-N 3.37Å; R203-E206 PolarHBondContact O-N 3.5Å; R203-Q207 WeakPolarHBondContact O-CG 3.09Å; R203-Q207 PolarHBondContact O-N 3.21Å |
| 204 | M | 93.8 | Very high | 92.9 | Very high | 101 Ų | 101 | 90.5 Ų | 90.5 | 50% | 0.498 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.9 | -73.5 | 179.5 | 175.9 | 0 | 0 | 111.5 | I200 V201 N202 E206 Q207 M208 | I200-M204 HydrophobicContact CG2-CE 3.67Å; I200-M204 HydrophobicContact CG2-CG 4.45Å; I200-M204 HydrophobicContact CG2-SD 4.16Å; I200-M204 WeakPolarHBondContact O-CG 3.23Å; I200-M204 PolarHBondContact O-N 3.26Å; V201-M204 PolarHBondContact O-N 2.84Å; N202-M204 PolarHBondContact O-N 2.93Å; M204-E206 VanDerWaalsContact C-N 3.35Å; M204-E206 PolarHBondContact O-N 3Å; M204-Q207 PolarHBondContact O-N 3.01Å; M204-M208 WeakPolarHBondContact O-CB 3.4Å; M204-M208 WeakPolarHBondContact O-CG 3.48Å; M204-M208 PolarHBondContact O-N 3.14Å |
| 205 | N | 93.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 93 Ų | 93 | 10% | 0.102 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 178.1 | -177.1 | 49.1 | 0 | 0 | 0 | 111.9 | V201 N202 R203 M208 R209 V262 | V201-N205 WeakPolarHBondContact O-CB 3.38Å; V201-N205 PolarHBondContact O-N 3.08Å; N202-N205 WeakPolarHBondContact O-CB 3.32Å; N202-N205 PolarHBondContact O-N 3.03Å; R203-N205 VanDerWaalsContact C-N 3.35Å; R203-N205 PolarHBondContact O-N 3.37Å; N205-M208 PolarHBondContact O-N 3.34Å; N205-R209 PolarHBondContact ND2-NE 3.4Å; N205-R209 WeakPolarHBondContact O-CB 3.45Å; N205-R209 WeakPolarHBondContact O-CG 3.37Å; N205-R209 PolarHBondContact O-N 3.3Å; N205-V262 HydrophobicContact CB-CG2 4.01Å |
| 206 | E | 93.2 | Very high | 93.6 | Very high | 124 Ų | 124 | 93.6 Ų | 93.6 | 58% | 0.579 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.8 | -46.1 | 174.1 | -73.5 | 174.3 | -177.9 | 0 | 0 | 112.4 | N202 R203 M204 R209 A210 | N202-E206 WeakPolarHBondContact O-CG 3.44Å; N202-E206 PolarHBondContact O-N 3.33Å; R203-E206 PolarHBondContact O-N 3.5Å; M204-E206 VanDerWaalsContact C-N 3.35Å; M204-E206 PolarHBondContact O-N 3Å; E206-R209 PolarHBondContact O-N 3.08Å; E206-A210 PolarHBondContact O-N 2.93Å |
| 207 | Q | 94.9 | Very high | 93.8 | Very high | 140 Ų | 140 | 90.1 Ų | 90.1 | 65% | 0.654 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.4 | -46 | 176.4 | -72.5 | 178 | -17.8 | 0 | 0 | 111.8 | R203 M204 R209 A210 D211 | R203-Q207 WeakPolarHBondContact O-CG 3.09Å; R203-Q207 PolarHBondContact O-N 3.21Å; M204-Q207 PolarHBondContact O-N 3.01Å; Q207-R209 PolarHBondContact O-N 2.99Å; Q207-A210 PolarHBondContact O-N 3.09Å; Q207-D211 PolarHBondContact O-N 2.86Å; Q207-D211 VanDerWaalsContact O-N 3.08Å |
| 208 | M | 93.8 | Very high | 94.1 | Very high | 95 Ų | 95 | 87.8 Ų | 87.8 | 47% | 0.468 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.6 | -73.8 | -169.6 | -65.6 | 0 | 0 | 111.4 | M204 N205 A210 D211 Y212 | M204-M208 WeakPolarHBondContact O-CB 3.4Å; M204-M208 WeakPolarHBondContact O-CG 3.48Å; M204-M208 PolarHBondContact O-N 3.14Å; N205-M208 PolarHBondContact O-N 3.34Å; M208-A210 VanDerWaalsContact C-N 3.3Å; M208-A210 PolarHBondContact O-N 3.43Å; M208-D211 PolarHBondContact O-N 3.15Å; M208-Y212 HydrophobicContact CB-CD2 4.38Å; M208-Y212 WeakPolarHBondContact O-CB 3.04Å; M208-Y212 VanDerWaalsContact O-CD2 3.25Å; M208-Y212 WeakPolarHBondContact O-CD2 3.5Å; M208-Y212 PolarHBondContact O-N 2.97Å |
| 209 | R | 93.1 | Very high | 94.3 | Very high | 88 Ų | 88 | 88.5 Ų | 88.5 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58 | -42.3 | 176.1 | -78.4 | 168.7 | 168.2 | -167.3 | -4.5 | 111.9 | N205 E206 Q207 K213 I260 T261 | N205-R209 PolarHBondContact ND2-NE 3.4Å; N205-R209 WeakPolarHBondContact O-CB 3.45Å; N205-R209 WeakPolarHBondContact O-CG 3.37Å; N205-R209 PolarHBondContact O-N 3.3Å; E206-R209 PolarHBondContact O-N 3.08Å; Q207-R209 PolarHBondContact O-N 2.99Å; R209-K213 WeakPolarHBondContact O-CB 3.42Å; R209-K213 PolarHBondContact O-N 3.5Å; R209-I260 PolarHBondContact NE-O 3.42Å; R209-I260 PolarHBondContact NH2-O 3.31Å; R209-T261 VanDerWaalsContact NH2-CA 3.31Å |
| 210 | A | 93.5 | Very high | 94.5 | Very high | 64 Ų | 64 | 85.5 Ų | 85.5 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E206 Q207 M208 K213 L214 | E206-A210 PolarHBondContact O-N 2.93Å; Q207-A210 PolarHBondContact O-N 3.09Å; M208-A210 VanDerWaalsContact C-N 3.3Å; M208-A210 PolarHBondContact O-N 3.43Å; A210-K213 PolarHBondContact O-N 3.48Å; A210-L214 PolarHBondContact O-N 3.36Å; A210-L214 VanDerWaalsContact O-N 3.12Å |
| 211 | D | 94.5 | Very high | 94.6 | Very high | 65 Ų | 65 | 88.7 Ų | 88.7 | 35% | 0.348 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 178.1 | -176.7 | 21.5 | 0 | 0 | 0 | 111.8 | Q207 M208 K213 L214 R215 | Q207-D211 PolarHBondContact O-N 2.86Å; Q207-D211 VanDerWaalsContact O-N 3.08Å; M208-D211 PolarHBondContact O-N 3.15Å; D211-K213 VanDerWaalsContact C-N 3.32Å; D211-K213 PolarHBondContact O-N 3.37Å; D211-L214 WeakPolarHBondContact O-CB 3.35Å; D211-L214 PolarHBondContact O-N 2.75Å; D211-L214 VanDerWaalsContact O-N 3.16Å; D211-R215 VanDerWaalsContact CG-NE 3.31Å; D211-R215 VanDerWaalsContact O-CG 3.3Å; D211-R215 WeakPolarHBondContact O-CG 3.28Å; D211-R215 PolarHBondContact O-N 3.35Å; D211-R215 IonicContact OD1-CZ 3.87Å; D211-R215 IonicContact OD1-NE 2.64Å; D211-R215 PolarHBondContact OD1-NE 3.32Å; D211-R215 IonicContact OD1-NH2 3.08Å; D211-R215 IonicContact OD2-CZ 3.8Å; D211-R215 IonicContact OD2-NE 3.02Å; D211-R215 PolarHBondContact OD2-NE 3.35Å; D211-R215 VanDerWaalsContact OD2-NE 3.09Å; D211-R215 IonicContact OD2-NH2 3.77Å; D211-R215 PolarHBondContact OD2-NH2 3.3Å |
| 212 | Y | 94.8 | Very high | 94.7 | Very high | 116 Ų | 116 | 95.1 Ų | 95.1 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.1 | -31.9 | 178.1 | -82.5 | -75 | 0 | 0 | 0 | 113.4 | M208 R215 R216 | M208-Y212 HydrophobicContact CB-CD2 4.38Å; M208-Y212 WeakPolarHBondContact O-CB 3.04Å; M208-Y212 VanDerWaalsContact O-CD2 3.25Å; M208-Y212 WeakPolarHBondContact O-CD2 3.5Å; M208-Y212 PolarHBondContact O-N 2.97Å; Y212-R215 PolarHBondContact O-N 3.32Å; Y212-R216 WeakPolarHBondContact O-CB 3.42Å; Y212-R216 WeakPolarHBondContact O-CG 3.12Å; Y212-R216 PolarHBondContact O-N 2.93Å |
| 213 | K | 94.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 95.6 Ų | 95.6 | 36% | 0.357 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.5 | -50.1 | 170.4 | 179.8 | -177.3 | 175.9 | -177.7 | 0 | 110.5 | R209 A210 D211 R215 R216 E217 | R209-K213 WeakPolarHBondContact O-CB 3.42Å; R209-K213 PolarHBondContact O-N 3.5Å; A210-K213 PolarHBondContact O-N 3.48Å; D211-K213 VanDerWaalsContact C-N 3.32Å; D211-K213 PolarHBondContact O-N 3.37Å; K213-R215 VanDerWaalsContact C-N 3.34Å; K213-R215 PolarHBondContact O-N 3.03Å; K213-R216 PolarHBondContact O-N 2.7Å; K213-E217 WeakPolarHBondContact CE-OE1 3.44Å; K213-E217 WeakPolarHBondContact O-CG 3.23Å; K213-E217 PolarHBondContact O-N 2.92Å |
| 214 | L | 95.6 | Very high | 94.8 | Very high | 110 Ų | 110 | 91 Ų | 91 | 58% | 0.576 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.6 | -44.3 | 177 | 179 | 62.6 | 0 | 0 | 0 | 111.7 | A210 D211 R216 E217 M218 | A210-L214 PolarHBondContact O-N 3.36Å; A210-L214 VanDerWaalsContact O-N 3.12Å; D211-L214 WeakPolarHBondContact O-CB 3.35Å; D211-L214 PolarHBondContact O-N 2.75Å; D211-L214 VanDerWaalsContact O-N 3.16Å; L214-R216 PolarHBondContact O-N 2.94Å; L214-E217 PolarHBondContact O-N 2.92Å; L214-M218 WeakPolarHBondContact O-CB 3.49Å; L214-M218 PolarHBondContact O-N 3.37Å |
| 215 | R | 95.8 | Very high | 94.9 | Very high | 111 Ų | 111 | 89.9 Ų | 89.9 | 42% | 0.419 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.6 | -68.3 | 172.6 | -171.1 | -160.6 | -0.3 | 112.1 | D211 Y212 K213 M218 L219 | D211-R215 VanDerWaalsContact CG-NE 3.31Å; D211-R215 VanDerWaalsContact O-CG 3.3Å; D211-R215 WeakPolarHBondContact O-CG 3.28Å; D211-R215 PolarHBondContact O-N 3.35Å; D211-R215 IonicContact OD1-CZ 3.87Å; D211-R215 IonicContact OD1-NE 2.64Å; D211-R215 PolarHBondContact OD1-NE 3.32Å; D211-R215 IonicContact OD1-NH2 3.08Å; D211-R215 IonicContact OD2-CZ 3.8Å; D211-R215 IonicContact OD2-NE 3.02Å; D211-R215 PolarHBondContact OD2-NE 3.35Å; D211-R215 VanDerWaalsContact OD2-NE 3.09Å; D211-R215 IonicContact OD2-NH2 3.77Å; D211-R215 PolarHBondContact OD2-NH2 3.3Å; Y212-R215 PolarHBondContact O-N 3.32Å; K213-R215 VanDerWaalsContact C-N 3.34Å; K213-R215 PolarHBondContact O-N 3.03Å; R215-M218 PolarHBondContact O-N 3.47Å; R215-L219 WeakPolarHBondContact O-CB 3.18Å; R215-L219 WeakPolarHBondContact O-CG 3.45Å; R215-L219 PolarHBondContact O-N 3.42Å |
| 216 | R | 95.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 91.8 Ų | 91.8 | 37% | 0.366 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.1 | -78 | -178.5 | 178.1 | -146 | -2 | 111.7 | Y212 K213 L214 L219 N220 E257 | Y212-R216 WeakPolarHBondContact O-CB 3.42Å; Y212-R216 WeakPolarHBondContact O-CG 3.12Å; Y212-R216 PolarHBondContact O-N 2.93Å; K213-R216 PolarHBondContact O-N 2.7Å; L214-R216 PolarHBondContact O-N 2.94Å; R216-L219 PolarHBondContact O-N 3.43Å; R216-N220 VanDerWaalsContact O-CB 3.25Å; R216-N220 WeakPolarHBondContact O-CB 3.4Å; R216-N220 PolarHBondContact O-N 3.45Å; R216-N220 PolarHBondContact O-ND2 2.79Å; R216-E257 PolarHBondContact NH1-O 2.62Å; R216-E257 VanDerWaalsContact NH1-O 3.13Å |
| 217 | E | 95 | Very high | 94.9 | Very high | 78 Ų | 78 | 87.2 Ų | 87.2 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 176 | -72.5 | 177.2 | 179.2 | 0 | 0 | 111.5 | K213 L214 N220 K221 R256 | K213-E217 WeakPolarHBondContact CE-OE1 3.44Å; K213-E217 WeakPolarHBondContact O-CG 3.23Å; K213-E217 PolarHBondContact O-N 2.92Å; L214-E217 PolarHBondContact O-N 2.92Å; E217-N220 PolarHBondContact O-N 3.46Å; E217-K221 WeakPolarHBondContact O-CB 3.28Å; E217-K221 PolarHBondContact O-N 2.97Å; E217-R256 HydrophobicContact CG-CB 4.06Å |
| 218 | M | 96.9 | Very high | 94.7 | Very high | 103 Ų | 103 | 83 Ų | 83 | 51% | 0.507 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 175.4 | -177.7 | -79.6 | -69.3 | 0 | 0 | 112 | L214 R215 N220 K221 R222 | L214-M218 WeakPolarHBondContact O-CB 3.49Å; L214-M218 PolarHBondContact O-N 3.37Å; R215-M218 PolarHBondContact O-N 3.47Å; M218-N220 PolarHBondContact O-N 3.31Å; M218-K221 PolarHBondContact O-N 3.41Å; M218-R222 WeakPolarHBondContact O-CB 3.36Å; M218-R222 PolarHBondContact O-N 3.05Å |
| 219 | L | 95.8 | Very high | 94.7 | Very high | 93 Ų | 93 | 81 Ų | 81 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.7 | -76.9 | 171.7 | 0 | 0 | 0 | 112 | R215 R216 K221 R222 F223 | R215-L219 WeakPolarHBondContact O-CB 3.18Å; R215-L219 WeakPolarHBondContact O-CG 3.45Å; R215-L219 PolarHBondContact O-N 3.42Å; R216-L219 PolarHBondContact O-N 3.43Å; L219-K221 VanDerWaalsContact C-N 3.34Å; L219-R222 WeakPolarHBondContact O-CB 3.22Å; L219-R222 PolarHBondContact O-N 3.03Å; L219-F223 WeakPolarHBondContact O-CB 3.4Å; L219-F223 PolarHBondContact O-N 3.28Å |
| 220 | N | 95.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 82.4 Ų | 82.4 | 11% | 0.107 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 174.5 | -77.5 | -24.3 | 0 | 0 | 0 | 111.1 | R216 E217 M218 F223 D224 | R216-N220 VanDerWaalsContact O-CB 3.25Å; R216-N220 WeakPolarHBondContact O-CB 3.4Å; R216-N220 PolarHBondContact O-N 3.45Å; R216-N220 PolarHBondContact O-ND2 2.79Å; E217-N220 PolarHBondContact O-N 3.46Å; M218-N220 PolarHBondContact O-N 3.31Å; N220-F223 WeakPolarHBondContact O-CB 3.47Å; N220-F223 PolarHBondContact O-N 3.13Å; N220-D224 VanDerWaalsContact O-CG 3.32Å; N220-D224 PolarHBondContact O-N 2.96Å; N220-D224 VanDerWaalsContact O-OD2 3.14Å |
| 221 | K | 95.7 | Very high | 94.4 | Very high | 130 Ų | 130 | 80.5 Ų | 80.5 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.3 | -40 | 176.8 | -174.1 | 62.5 | -176.4 | 179.1 | 0 | 112.1 | E217 M218 L219 F223 D224 V225 | E217-K221 WeakPolarHBondContact O-CB 3.28Å; E217-K221 PolarHBondContact O-N 2.97Å; M218-K221 PolarHBondContact O-N 3.41Å; L219-K221 VanDerWaalsContact C-N 3.34Å; K221-F223 VanDerWaalsContact C-N 3.27Å; K221-F223 PolarHBondContact O-N 3.27Å; K221-D224 WeakPolarHBondContact O-CB 3.37Å; K221-D224 PolarHBondContact O-N 3.01Å; K221-V225 WeakPolarHBondContact O-CG2 3.5Å; K221-V225 PolarHBondContact O-N 3.36Å |
| 222 | R | 96.3 | Very high | 94.2 | Very high | 166 Ų | 166 | 87.4 Ų | 87.4 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.7 | -40.8 | 173.2 | 179.7 | -179.7 | 174.4 | -174 | -0.6 | 110.8 | M218 L219 V225 T226 | M218-R222 WeakPolarHBondContact O-CB 3.36Å; M218-R222 PolarHBondContact O-N 3.05Å; L219-R222 WeakPolarHBondContact O-CB 3.22Å; L219-R222 PolarHBondContact O-N 3.03Å; R222-V225 PolarHBondContact O-N 3.32Å; R222-T226 WeakPolarHBondContact O-CB 3.33Å; R222-T226 PolarHBondContact O-N 2.69Å; R222-T226 PolarHBondContact O-OG1 3.43Å |
| 223 | F | 94.7 | Very high | 93.9 | Very high | 76 Ų | 76 | 84.1 Ų | 84.1 | 33% | 0.333 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 174.8 | -175.3 | -137.7 | 0 | 0 | 0 | 111.3 | L219 N220 K221 V225 T226 I227 Y247 L254 | L219-F223 WeakPolarHBondContact O-CB 3.4Å; L219-F223 PolarHBondContact O-N 3.28Å; N220-F223 WeakPolarHBondContact O-CB 3.47Å; N220-F223 PolarHBondContact O-N 3.13Å; K221-F223 VanDerWaalsContact C-N 3.27Å; K221-F223 PolarHBondContact O-N 3.27Å; F223-V225 VanDerWaalsContact C-N 3.34Å; F223-V225 PolarHBondContact O-N 2.78Å; F223-T226 PolarHBondContact O-N 2.75Å; F223-T226 VanDerWaalsContact O-N 3.13Å; F223-I227 HydrophobicContact CD2-CG1 4.27Å; F223-I227 HydrophobicContact CE2-CD1 4.05Å; F223-I227 HydrophobicContact CE2-CG1 4Å; F223-I227 HydrophobicContact CZ-CG1 4.44Å; F223-I227 PolarHBondContact O-N 3.16Å; F223-Y247 AromaticContact CD1-CE2 3.78Å; F223-Y247 HydrophobicContact CD1-CE2 3.78Å; F223-Y247 HydrophobicContact CE1-CD2 4.15Å; F223-Y247 AromaticContact CE1-CE2 3.38Å; F223-Y247 HydrophobicContact CE1-CE2 3.38Å; F223-Y247 HydrophobicContact CE2-CE2 4.34Å; F223-Y247 HydrophobicContact CG-CE2 4.43Å; F223-Y247 HydrophobicContact CZ-CD2 4.16Å; F223-Y247 AromaticContact CZ-CE2 3.69Å; F223-Y247 HydrophobicContact CZ-CE2 3.69Å; F223-L254 HydrophobicContact CD1-CD1 3.9Å; F223-L254 HydrophobicContact CE1-CD1 4Å |
| 224 | D | 94.7 | Very high | 93.7 | Very high | 32 Ų | 32 | 86.2 Ų | 86.2 | 17% | 0.171 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -54.4 | -47.7 | 174.5 | -65.5 | -47.8 | 0 | 0 | 0 | 111.7 | N220 K221 T226 I227 S228 Y247 R251 | N220-D224 VanDerWaalsContact O-CG 3.32Å; N220-D224 PolarHBondContact O-N 2.96Å; N220-D224 VanDerWaalsContact O-OD2 3.14Å; K221-D224 WeakPolarHBondContact O-CB 3.37Å; K221-D224 PolarHBondContact O-N 3.01Å; D224-T226 VanDerWaalsContact C-N 3.35Å; D224-T226 PolarHBondContact O-N 2.72Å; D224-I227 PolarHBondContact O-N 2.93Å; D224-S228 WeakPolarHBondContact O-CB 3.05Å; D224-S228 PolarHBondContact O-N 3.11Å; D224-S228 PolarHBondContact O-OG 3.3Å; D224-Y247 VanDerWaalsContact CA-OH 3.31Å; D224-Y247 WeakPolarHBondContact CA-OH 3.48Å; D224-Y247 PolarHBondContact N-OH 2.91Å; D224-Y247 PolarHBondContact OD1-OH 2.8Å; D224-R251 WeakPolarHBondContact OD1-CD 3.38Å; D224-R251 IonicContact OD1-CZ 2.99Å; D224-R251 IonicContact OD1-NE 2.75Å; D224-R251 PolarHBondContact OD1-NE 3.08Å; D224-R251 IonicContact OD1-NH2 3.84Å; D224-R251 IonicContact OD2-CZ 2.93Å; D224-R251 IonicContact OD2-NE 2.79Å; D224-R251 PolarHBondContact OD2-NE 2.9Å; D224-R251 IonicContact OD2-NH2 2.7Å; D224-R251 PolarHBondContact OD2-NH2 2.73Å |
| 225 | V | 96 | Very high | 93.4 | Very high | 79 Ų | 79 | 91.1 Ų | 91.1 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.9 | -34.7 | 179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | K221 R222 F223 S228 S229 | K221-V225 WeakPolarHBondContact O-CG2 3.5Å; K221-V225 PolarHBondContact O-N 3.36Å; R222-V225 PolarHBondContact O-N 3.32Å; F223-V225 VanDerWaalsContact C-N 3.34Å; F223-V225 PolarHBondContact O-N 2.78Å; V225-S228 PolarHBondContact O-N 3.2Å; V225-S229 PolarHBondContact O-N 2.94Å |
| 226 | T | 93.6 | Very high | 93 | Very high | 59 Ų | 59 | 87.4 Ų | 87.4 | 36% | 0.362 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | R222 F223 D224 S229 F230 | R222-T226 WeakPolarHBondContact O-CB 3.33Å; R222-T226 PolarHBondContact O-N 2.69Å; R222-T226 PolarHBondContact O-OG1 3.43Å; F223-T226 PolarHBondContact O-N 2.75Å; F223-T226 VanDerWaalsContact O-N 3.13Å; D224-T226 VanDerWaalsContact C-N 3.35Å; D224-T226 PolarHBondContact O-N 2.72Å; T226-S229 PolarHBondContact O-OG 2.89Å; T226-F230 HydrophobicContact CG2-CE2 4.12Å; T226-F230 VanDerWaalsContact O-CD2 3.25Å; T226-F230 WeakPolarHBondContact O-CD2 3.17Å |
| 227 | I | 92.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 88.8 Ų | 88.8 | 14% | 0.138 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 173.9 | -63.3 | -56.5 | 0 | 0 | 0 | 110.9 | F223 D224 S229 F230 L231 V243 Y247 | F223-I227 HydrophobicContact CD2-CG1 4.27Å; F223-I227 HydrophobicContact CE2-CD1 4.05Å; F223-I227 HydrophobicContact CE2-CG1 4Å; F223-I227 HydrophobicContact CZ-CG1 4.44Å; F223-I227 PolarHBondContact O-N 3.16Å; D224-I227 PolarHBondContact O-N 2.93Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 3.41Å; I227-F230 HydrophobicContact CD1-CD2 4.24Å; I227-F230 HydrophobicContact CD1-CE2 4.46Å; I227-F230 PolarHBondContact O-N 2.87Å; I227-F230 VanDerWaalsContact O-N 3.17Å; I227-L231 PolarHBondContact O-N 3.4Å; I227-V243 HydrophobicContact CG2-CG1 4.11Å; I227-Y247 HydrophobicContact CB-CD2 4.42Å; I227-Y247 HydrophobicContact CB-CE2 4.24Å; I227-Y247 HydrophobicContact CG1-CD2 3.78Å; I227-Y247 HydrophobicContact CG1-CE2 3.57Å; I227-Y247 HydrophobicContact CG2-CD1 4.42Å; I227-Y247 HydrophobicContact CG2-CD2 4.24Å; I227-Y247 HydrophobicContact CG2-CG 4.18Å |
| 228 | S | 92.2 | Very high | 92.5 | Very high | 53 Ų | 53 | 94.2 Ų | 94.2 | 37% | 0.371 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -38.2 | 176.9 | -57 | 0 | 0 | 0 | 0 | 112.2 | D224 V225 F230 L231 W232 | D224-S228 WeakPolarHBondContact O-CB 3.05Å; D224-S228 PolarHBondContact O-N 3.11Å; D224-S228 PolarHBondContact O-OG 3.3Å; V225-S228 PolarHBondContact O-N 3.2Å; S228-F230 VanDerWaalsContact C-N 3.32Å; S228-F230 PolarHBondContact O-N 3.28Å; S228-L231 WeakPolarHBondContact O-CB 3.47Å; S228-L231 PolarHBondContact O-N 3.29Å; S228-L231 VanDerWaalsContact O-N 3.13Å; S228-W232 PolarHBondContact O-NE1 3.41Å |
| 229 | S | 93.7 | Very high | 92.3 | Very high | 51 Ų | 51 | 95.6 Ų | 95.6 | 36% | 0.357 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.4 | -29.7 | 178.7 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | V225 T226 I227 L231 W232 | V225-S229 PolarHBondContact O-N 2.94Å; T226-S229 PolarHBondContact O-OG 2.89Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 3.41Å; S229-L231 VanDerWaalsContact C-N 3.29Å; S229-L231 PolarHBondContact O-N 3.31Å; S229-W232 WeakPolarHBondContact O-CB 3.39Å; S229-W232 PolarHBondContact O-N 3.16Å |
| 230 | F | 89.8 | Confident | 92.1 | Very high | 119 Ų | 119 | 95.1 Ų | 95.1 | 52% | 0.522 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.6 | -33.7 | 172 | -68.2 | -54.1 | 0 | 0 | 0 | 112.2 | T226 I227 S228 W232 S233 V236 | T226-F230 HydrophobicContact CG2-CE2 4.12Å; T226-F230 VanDerWaalsContact O-CD2 3.25Å; T226-F230 WeakPolarHBondContact O-CD2 3.17Å; I227-F230 HydrophobicContact CD1-CD2 4.24Å; I227-F230 HydrophobicContact CD1-CE2 4.46Å; I227-F230 PolarHBondContact O-N 2.87Å; I227-F230 VanDerWaalsContact O-N 3.17Å; S228-F230 VanDerWaalsContact C-N 3.32Å; S228-F230 PolarHBondContact O-N 3.28Å; F230-W232 PolarHBondContact O-N 3.4Å; F230-S233 PolarHBondContact O-N 3.25Å; F230-S233 PolarHBondContact O-OG 2.9Å; F230-V236 WeakPolarHBondContact O-CB 3.36Å |
| 231 | L | 90 | Very high | 91.9 | Very high | 23 Ų | 23 | 100.3 Ų | 100.3 | 12% | 0.12 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.1 | -14.6 | 177.4 | -59.3 | 177.7 | 0 | 0 | 0 | 113.1 | I227 S228 S229 S233 V236 E240 V243 M244 | I227-L231 PolarHBondContact O-N 3.4Å; S228-L231 WeakPolarHBondContact O-CB 3.47Å; S228-L231 PolarHBondContact O-N 3.29Å; S228-L231 VanDerWaalsContact O-N 3.13Å; S229-L231 VanDerWaalsContact C-N 3.29Å; S229-L231 PolarHBondContact O-N 3.31Å; L231-S233 PolarHBondContact O-N 2.88Å; L231-V236 HydrophobicContact CD2-CG1 4.14Å; L231-E240 HydrophobicContact CD1-CG 4.12Å; L231-E240 HydrophobicContact CD2-CB 4.02Å; L231-E240 HydrophobicContact CD2-CG 3.91Å; L231-V243 HydrophobicContact CD2-CB 4.42Å; L231-V243 HydrophobicContact CD2-CG1 4.39Å; L231-M244 HydrophobicContact CD1-SD 4.43Å |
| 232 | W | 89.5 | Confident | 91.8 | Very high | 211 Ų | 211 | 97.8 Ų | 97.8 | 80% | 0.799 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.3 | 175.4 | -60.5 | -2.8 | 0 | 0 | 0 | 113 | S228 S229 F230 | S228-W232 PolarHBondContact O-NE1 3.41Å; S229-W232 WeakPolarHBondContact O-CB 3.39Å; S229-W232 PolarHBondContact O-N 3.16Å; F230-W232 PolarHBondContact O-N 3.4Å |
| 233 | S | 89 | Confident | 91.6 | Very high | 46 Ų | 46 | 92 Ų | 92 | 32% | 0.322 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -81.7 | 132 | 173.9 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | F230 L231 R235 V236 K237 | F230-S233 PolarHBondContact O-N 3.25Å; F230-S233 PolarHBondContact O-OG 2.9Å; L231-S233 PolarHBondContact O-N 2.88Å; S233-R235 PolarHBondContact O-N 3.18Å; S233-R235 VanDerWaalsContact O-N 3.08Å; S233-V236 PolarHBondContact O-N 3.43Å; S233-V236 WeakPolarHBondContact OG-CB 3.09Å; S233-V236 VanDerWaalsContact OG-CG2 3.23Å; S233-V236 WeakPolarHBondContact OG-CG2 3.46Å; S233-V236 PolarHBondContact OG-N 3.32Å; S233-K237 WeakPolarHBondContact O-CB 3.39Å; S233-K237 PolarHBondContact O-N 3.31Å |
| 234 | D | 90.2 | Very high | 91.5 | Very high | 126 Ų | 126 | 90.9 Ų | 90.9 | 67% | 0.674 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -56.4 | -31.6 | 179.7 | -65.4 | -44.8 | 0 | 0 | 0 | 113.1 | ||
| 235 | R | 88.9 | Confident | 91.5 | Very high | 213 Ų | 213 | 97.4 Ų | 97.4 | 80% | 0.804 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.9 | -39.8 | 178.5 | -172.1 | 177.3 | 68.8 | -169 | -0.6 | 112.6 | S233 | S233-R235 PolarHBondContact O-N 3.18Å; S233-R235 VanDerWaalsContact O-N 3.08Å |
| 236 | V | 88.2 | Confident | 91.3 | Very high | 33 Ų | 33 | 99.6 Ų | 99.6 | 20% | 0.2 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -92 | -29.3 | -176.8 | -177.8 | 0 | 0 | 0 | 0 | 111 | F230 L231 S233 K238 K239 E240 V243 | F230-V236 WeakPolarHBondContact O-CB 3.36Å; L231-V236 HydrophobicContact CD2-CG1 4.14Å; S233-V236 PolarHBondContact O-N 3.43Å; S233-V236 WeakPolarHBondContact OG-CB 3.09Å; S233-V236 VanDerWaalsContact OG-CG2 3.23Å; S233-V236 WeakPolarHBondContact OG-CG2 3.46Å; S233-V236 PolarHBondContact OG-N 3.32Å; V236-K238 PolarHBondContact O-N 2.89Å; V236-K239 CarbonylContact O-C 3.55Å; V236-K239 VanDerWaalsContact O-C 3.31Å; V236-K239 WeakPolarHBondContact O-CA 3.45Å; V236-K239 PolarHBondContact O-N 3.36Å; V236-E240 PolarHBondContact O-N 3.31Å; V236-E240 VanDerWaalsContact O-N 3.15Å; V236-V243 HydrophobicContact CG1-CG2 3.99Å |
| 237 | K | 89 | Confident | 91.3 | Very high | 127 Ų | 127 | 97.9 Ų | 97.9 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -52.1 | -39.6 | 175 | -165.8 | 177.1 | -176.5 | 179.8 | 0 | 112.5 | S233 K239 E240 | S233-K237 WeakPolarHBondContact O-CB 3.39Å; S233-K237 PolarHBondContact O-N 3.31Å; K237-K239 PolarHBondContact O-N 3Å; K237-E240 WeakPolarHBondContact O-CB 3.05Å; K237-E240 PolarHBondContact O-N 3.49Å |
| 238 | K | 90.7 | Very high | 91.4 | Very high | 191 Ų | 191 | 103 Ų | 103 | 83% | 0.83 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -21.2 | 174.1 | -66.6 | 179.5 | -178.1 | -177.3 | 0 | 114.4 | V236 | V236-K238 PolarHBondContact O-N 2.89Š|
| 239 | K | 91.5 | Very high | 91.5 | Very high | 133 Ų | 133 | 103.6 Ų | 103.6 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 19 | -179 | -62.2 | -170.2 | 176 | -169.5 | 0 | 112.6 | V236 K237 N241 D242 V243 | V236-K239 CarbonylContact O-C 3.55Å; V236-K239 VanDerWaalsContact O-C 3.31Å; V236-K239 WeakPolarHBondContact O-CA 3.45Å; V236-K239 PolarHBondContact O-N 3.36Å; K237-K239 PolarHBondContact O-N 3Å; K239-N241 VanDerWaalsContact C-N 3.25Å; K239-N241 PolarHBondContact O-N 2.97Å; K239-D242 PolarHBondContact O-N 2.88Å; K239-D242 VanDerWaalsContact O-N 3.08Å; K239-V243 PolarHBondContact O-N 2.9Å; K239-V243 VanDerWaalsContact O-N 3.15Å |
| 240 | E | 91.5 | Very high | 91.6 | Very high | 82 Ų | 82 | 105.9 Ų | 105.9 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -53.4 | -43.6 | -178.8 | 176.9 | 175.5 | 177 | 0 | 0 | 112.1 | L231 V236 K237 D242 V243 M244 | L231-E240 HydrophobicContact CD1-CG 4.12Å; L231-E240 HydrophobicContact CD2-CB 4.02Å; L231-E240 HydrophobicContact CD2-CG 3.91Å; V236-E240 PolarHBondContact O-N 3.31Å; V236-E240 VanDerWaalsContact O-N 3.15Å; K237-E240 WeakPolarHBondContact O-CB 3.05Å; K237-E240 PolarHBondContact O-N 3.49Å; E240-D242 VanDerWaalsContact C-N 3.29Å; E240-D242 PolarHBondContact O-N 3.23Å; E240-V243 PolarHBondContact O-N 2.91Å; E240-M244 HydrophobicContact CG-CG 4.08Å; E240-M244 WeakPolarHBondContact O-CB 3.36Å; E240-M244 WeakPolarHBondContact O-CG 3.43Å; E240-M244 PolarHBondContact O-N 3.39Å |
| 241 | N | 91.8 | Very high | 91.8 | Very high | 130 Ų | 130 | 103.3 Ų | 103.3 | 70% | 0.695 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.6 | -40.2 | 179.1 | -69.6 | -27.1 | 0 | 0 | 0 | 112.7 | K239 R245 | K239-N241 VanDerWaalsContact C-N 3.25Å; K239-N241 PolarHBondContact O-N 2.97Å; N241-R245 VanDerWaalsContact O-CB 3.28Å; N241-R245 WeakPolarHBondContact O-CB 3.34Å; N241-R245 PolarHBondContact O-N 3.01Å |
| 242 | D | 93.4 | Very high | 91.9 | Very high | 77 Ų | 77 | 106.8 Ų | 106.8 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.7 | -40 | 179.2 | -63.4 | -30.6 | 0 | 0 | 0 | 111.2 | K239 E240 R245 L246 | K239-D242 PolarHBondContact O-N 2.88Å; K239-D242 VanDerWaalsContact O-N 3.08Å; E240-D242 VanDerWaalsContact C-N 3.29Å; E240-D242 PolarHBondContact O-N 3.23Å; D242-R245 PolarHBondContact O-N 3.4Å; D242-R245 IonicContact OD1-CZ 3.12Å; D242-R245 IonicContact OD1-NH1 2.78Å; D242-R245 IonicContact OD1-NH2 3.57Å; D242-R245 PolarHBondContact OD1-NH2 2.82Å; D242-L246 PolarHBondContact O-N 2.94Å |
| 243 | V | 92.5 | Very high | 92.1 | Very high | 43 Ų | 43 | 103.4 Ų | 103.4 | 26% | 0.261 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | I227 L231 V236 K239 E240 R245 L246 Y247 | I227-V243 HydrophobicContact CG2-CG1 4.11Å; L231-V243 HydrophobicContact CD2-CB 4.42Å; L231-V243 HydrophobicContact CD2-CG1 4.39Å; V236-V243 HydrophobicContact CG1-CG2 3.99Å; K239-V243 PolarHBondContact O-N 2.9Å; K239-V243 VanDerWaalsContact O-N 3.15Å; E240-V243 PolarHBondContact O-N 2.91Å; V243-R245 VanDerWaalsContact C-N 3.32Å; V243-R245 PolarHBondContact O-N 3.32Å; V243-L246 PolarHBondContact O-N 2.96Å; V243-Y247 VanDerWaalsContact O-CB 3.25Å; V243-Y247 WeakPolarHBondContact O-CB 3.35Å; V243-Y247 PolarHBondContact O-N 3.39Å |
| 244 | M | 93.1 | Very high | 92.2 | Very high | 53 Ų | 53 | 104.9 Ų | 104.9 | 26% | 0.261 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -31.7 | -178.3 | -67.8 | -57.7 | -79.2 | 0 | 0 | 112.5 | L231 E240 L246 Y247 K248 | L231-M244 HydrophobicContact CD1-SD 4.43Å; E240-M244 HydrophobicContact CG-CG 4.08Å; E240-M244 WeakPolarHBondContact O-CB 3.36Å; E240-M244 WeakPolarHBondContact O-CG 3.43Å; E240-M244 PolarHBondContact O-N 3.39Å; M244-L246 VanDerWaalsContact C-N 3.31Å; M244-L246 PolarHBondContact O-N 3.33Å; M244-Y247 HydrophobicContact CE-CD1 4.39Å; M244-Y247 PolarHBondContact O-N 3.11Å; M244-Y247 HydrophobicContact SD-CD1 4.15Å; M244-K248 HydrophobicContact CE-CG 4.32Å; M244-K248 WeakPolarHBondContact O-CB 3.44Å; M244-K248 WeakPolarHBondContact O-CG 3.45Å; M244-K248 PolarHBondContact O-N 2.9Å |
| 245 | R | 94.7 | Very high | 92.1 | Very high | 169 Ų | 169 | 106.9 Ų | 106.9 | 64% | 0.638 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.1 | -40.4 | 172.8 | -171.3 | -173.4 | -52.3 | 156.3 | 16.4 | 112 | N241 D242 V243 P249 | N241-R245 VanDerWaalsContact O-CB 3.28Å; N241-R245 WeakPolarHBondContact O-CB 3.34Å; N241-R245 PolarHBondContact O-N 3.01Å; D242-R245 PolarHBondContact O-N 3.4Å; D242-R245 IonicContact OD1-CZ 3.12Å; D242-R245 IonicContact OD1-NH1 2.78Å; D242-R245 IonicContact OD1-NH2 3.57Å; D242-R245 PolarHBondContact OD1-NH2 2.82Å; V243-R245 VanDerWaalsContact C-N 3.32Å; V243-R245 PolarHBondContact O-N 3.32Å; R245-P249 WeakPolarHBondContact O-CD 3.48Å; R245-P249 WeakPolarHBondContact O-CG 3.48Å |
| 246 | L | 92.7 | Very high | 92.1 | Very high | 125 Ų | 125 | 103.7 Ų | 103.7 | 65% | 0.654 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -80.1 | -36.9 | 177 | -65.6 | 175 | 0 | 0 | 0 | 112.3 | D242 V243 M244 L250 | D242-L246 PolarHBondContact O-N 2.94Å; V243-L246 PolarHBondContact O-N 2.96Å; M244-L246 VanDerWaalsContact C-N 3.31Å; M244-L246 PolarHBondContact O-N 3.33Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å |
| 247 | Y | 93.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 106 Ų | 106 | 9% | 0.09 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -71.4 | -49 | -174.1 | 178.6 | -113.3 | 0 | 0 | 0 | 113.3 | F223 D224 I227 V243 M244 L250 R251 | F223-Y247 AromaticContact CD1-CE2 3.78Å; F223-Y247 HydrophobicContact CD1-CE2 3.78Å; F223-Y247 HydrophobicContact CE1-CD2 4.15Å; F223-Y247 AromaticContact CE1-CE2 3.38Å; F223-Y247 HydrophobicContact CE1-CE2 3.38Å; F223-Y247 HydrophobicContact CE2-CE2 4.34Å; F223-Y247 HydrophobicContact CG-CE2 4.43Å; F223-Y247 HydrophobicContact CZ-CD2 4.16Å; F223-Y247 AromaticContact CZ-CE2 3.69Å; F223-Y247 HydrophobicContact CZ-CE2 3.69Å; D224-Y247 VanDerWaalsContact CA-OH 3.31Å; D224-Y247 WeakPolarHBondContact CA-OH 3.48Å; D224-Y247 PolarHBondContact N-OH 2.91Å; D224-Y247 PolarHBondContact OD1-OH 2.8Å; I227-Y247 HydrophobicContact CB-CD2 4.42Å; I227-Y247 HydrophobicContact CB-CE2 4.24Å; I227-Y247 HydrophobicContact CG1-CD2 3.78Å; I227-Y247 HydrophobicContact CG1-CE2 3.57Å; I227-Y247 HydrophobicContact CG2-CD1 4.42Å; I227-Y247 HydrophobicContact CG2-CD2 4.24Å; I227-Y247 HydrophobicContact CG2-CG 4.18Å; V243-Y247 VanDerWaalsContact O-CB 3.25Å; V243-Y247 WeakPolarHBondContact O-CB 3.35Å; V243-Y247 PolarHBondContact O-N 3.39Å; M244-Y247 HydrophobicContact CE-CD1 4.39Å; M244-Y247 PolarHBondContact O-N 3.11Å; M244-Y247 HydrophobicContact SD-CD1 4.15Å; Y247-L250 PolarHBondContact O-N 3.28Å; Y247-R251 HydrophobicContact CD1-CB 4.42Å; Y247-R251 HydrophobicContact CE1-CB 3.98Å; Y247-R251 HydrophobicContact CE1-CG 4.01Å; Y247-R251 HydrophobicContact CE2-CB 4.17Å; Y247-R251 WeakPolarHBondContact O-CB 3.39Å; Y247-R251 PolarHBondContact O-N 3.43Å; Y247-R251 WeakPolarHBondContact OH-CD 3.17Å |
| 248 | K | 93.5 | Very high | 91.9 | Very high | 134 Ų | 134 | 100.7 Ų | 100.7 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.1 | -46.8 | -172.2 | -74.6 | -177.2 | 178.3 | -175.8 | 0 | 113.4 | M244 L250 R251 S252 | M244-K248 HydrophobicContact CE-CG 4.32Å; M244-K248 WeakPolarHBondContact O-CB 3.44Å; M244-K248 WeakPolarHBondContact O-CG 3.45Å; M244-K248 PolarHBondContact O-N 2.9Å; K248-L250 PolarHBondContact O-N 2.83Å; K248-R251 PolarHBondContact O-N 3.18Å; K248-S252 PolarHBondContact O-N 2.97Å; K248-S252 PolarHBondContact O-OG 3.02Å |
| 249 | P | 95.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 97.8 Ų | 97.8 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 179.6 | -22.6 | 34.4 | 0 | 0 | 0 | 112.7 | R245 R251 S252 Q253 | R245-P249 WeakPolarHBondContact O-CD 3.48Å; R245-P249 WeakPolarHBondContact O-CG 3.48Å; P249-R251 VanDerWaalsContact C-N 3.35Å; P249-S252 WeakPolarHBondContact CA-OG 3.35Å; P249-S252 PolarHBondContact O-N 3.13Å; P249-S252 PolarHBondContact O-OG 3.12Å; P249-Q253 WeakPolarHBondContact O-CG 3.33Å; P249-Q253 PolarHBondContact O-N 2.88Å |
| 250 | L | 94.4 | Very high | 91.5 | Very high | 100 Ų | 100 | 95.9 Ų | 95.9 | 52% | 0.524 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.4 | -64.7 | 175.1 | 0 | 0 | 0 | 110.9 | L246 Y247 K248 S252 Q253 | L246-L250 WeakPolarHBondContact O-CG 3.43Å; Y247-L250 PolarHBondContact O-N 3.28Å; K248-L250 PolarHBondContact O-N 2.83Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 3.35Å; L250-Q253 PolarHBondContact O-N 3.09Å |
| 251 | R | 93.7 | Very high | 91.4 | Very high | 64 Ų | 64 | 94.5 Ų | 94.5 | 24% | 0.242 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 179.1 | -177.5 | 56.4 | 178.3 | 88.7 | 4.5 | 112.7 | D224 Y247 K248 P249 Q253 L254 | D224-R251 WeakPolarHBondContact OD1-CD 3.38Å; D224-R251 IonicContact OD1-CZ 2.99Å; D224-R251 IonicContact OD1-NE 2.75Å; D224-R251 PolarHBondContact OD1-NE 3.08Å; D224-R251 IonicContact OD1-NH2 3.84Å; D224-R251 IonicContact OD2-CZ 2.93Å; D224-R251 IonicContact OD2-NE 2.79Å; D224-R251 PolarHBondContact OD2-NE 2.9Å; D224-R251 IonicContact OD2-NH2 2.7Å; D224-R251 PolarHBondContact OD2-NH2 2.73Å; Y247-R251 HydrophobicContact CD1-CB 4.42Å; Y247-R251 HydrophobicContact CE1-CB 3.98Å; Y247-R251 HydrophobicContact CE1-CG 4.01Å; Y247-R251 HydrophobicContact CE2-CB 4.17Å; Y247-R251 WeakPolarHBondContact O-CB 3.39Å; Y247-R251 PolarHBondContact O-N 3.43Å; Y247-R251 WeakPolarHBondContact OH-CD 3.17Å; K248-R251 PolarHBondContact O-N 3.18Å; P249-R251 VanDerWaalsContact C-N 3.35Å; R251-Q253 VanDerWaalsContact C-N 3.3Å; R251-Q253 PolarHBondContact O-N 3.17Å; R251-L254 PolarHBondContact O-N 3.33Å |
| 252 | S | 93 | Very high | 91.3 | Very high | 97 Ų | 97 | 89.1 Ų | 89.1 | 68% | 0.678 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.4 | -24.4 | 175.5 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | K248 P249 L250 L254 | K248-S252 PolarHBondContact O-N 2.97Å; K248-S252 PolarHBondContact O-OG 3.02Å; P249-S252 WeakPolarHBondContact CA-OG 3.35Å; P249-S252 PolarHBondContact O-N 3.13Å; P249-S252 PolarHBondContact O-OG 3.12Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 3.35Å; S252-L254 VanDerWaalsContact C-N 3.33Å |
| 253 | Q | 93.3 | Very high | 91 | Very high | 140 Ų | 140 | 88.6 Ų | 88.6 | 65% | 0.654 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -75.5 | -23 | 175.6 | -67.9 | 172 | -2.8 | 0 | 0 | 112.6 | P249 L250 R251 R255 | P249-Q253 WeakPolarHBondContact O-CG 3.33Å; P249-Q253 PolarHBondContact O-N 2.88Å; L250-Q253 PolarHBondContact O-N 3.09Å; R251-Q253 VanDerWaalsContact C-N 3.3Å; R251-Q253 PolarHBondContact O-N 3.17Å; Q253-R255 PolarHBondContact O-N 2.68Å; Q253-R255 VanDerWaalsContact O-N 3.13Å |
| 254 | L | 91.8 | Very high | 90.9 | Very high | 76 Ų | 76 | 90.4 Ų | 90.4 | 40% | 0.398 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -76.9 | 99.1 | -179.4 | -63.4 | 175.6 | 0 | 0 | 0 | 111.2 | F223 R251 S252 | F223-L254 HydrophobicContact CD1-CD1 3.9Å; F223-L254 HydrophobicContact CE1-CD1 4Å; R251-L254 PolarHBondContact O-N 3.33Å; S252-L254 VanDerWaalsContact C-N 3.33Å |
| 255 | R | 88.7 | Confident | 90.6 | Very high | 168 Ų | 168 | 92.6 Ų | 92.6 | 63% | 0.634 | 46% | 0.455 | S | S | * | . | trans | -72.9 | 142.5 | 179.9 | -57.9 | -176.2 | -174.6 | -168.2 | 3 | 112.2 | Q253 H259 | Q253-R255 PolarHBondContact O-N 2.68Å; Q253-R255 VanDerWaalsContact O-N 3.13Å; R255-H259 PolarHBondContact NH1-NE2 3.07Å | ||
| 256 | R | 89 | Confident | 90.2 | Very high | 146 Ų | 146 | 87.7 Ų | 87.7 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -76.9 | -36.9 | 172 | 65 | -178.9 | -174.1 | -161.5 | -3.4 | 112.8 | E217 | E217-R256 HydrophobicContact CG-CB 4.06Š|
| 257 | E | 87.1 | Confident | 89.9 | Confident | 82 Ų | 82 | 85.4 Ų | 85.4 | 38% | 0.383 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -87.6 | 144 | -176.9 | -80.1 | 153.3 | -137 | 0 | 0 | 111.2 | R216 | R216-E257 PolarHBondContact NH1-O 2.62Å; R216-E257 VanDerWaalsContact NH1-O 3.13Å |
| 258 | C | 85.2 | Confident | 89.7 | Confident | 16 Ų | 16 | 84.8 Ų | 84.8 | 11% | 0.108 | 44% | 0.44 | C | S | . | . | trans | -104.2 | 120.3 | 172.2 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | I260 | C258-I260 PolarHBondContact O-N 2.89Å; C258-I260 VanDerWaalsContact O-N 3.17Å | ||
| 259 | H | 84 | Confident | 89.4 | Confident | 130 Ų | 130 | 82.6 Ų | 82.6 | 60% | 0.602 | 43% | 0.428 | S | S | * | . | trans | -88.6 | 61.6 | 173.4 | -54.3 | -72.2 | 0 | 0 | 0 | 109.7 | R255 | R255-H259 PolarHBondContact NH1-NE2 3.07Š| ||
| 260 | I | 89.2 | Confident | 88.9 | Confident | 92 Ų | 92 | 81.8 Ų | 81.8 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | trans | -107.9 | 120 | 172.9 | -59.8 | 173.3 | 0 | 0 | 0 | 107 | R209 C258 D264 | R209-I260 PolarHBondContact NE-O 3.42Å; R209-I260 PolarHBondContact NH2-O 3.31Å; C258-I260 PolarHBondContact O-N 2.89Å; C258-I260 VanDerWaalsContact O-N 3.17Å; I260-D264 HydrophobicContact CG2-CB 4.33Å | ||
| 261 | T | 89.1 | Confident | 88.4 | Confident | 53 Ų | 53 | 82 Ų | 82 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | trans | -110 | 169.3 | -177.9 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | R209 A263 D264 L265 | R209-T261 VanDerWaalsContact NH2-CA 3.31Å; T261-A263 PolarHBondContact O-N 2.98Å; T261-A263 PolarHBondContact OG1-N 3.47Å; T261-D264 PolarHBondContact N-OD2 2.95Å; T261-D264 WeakPolarHBondContact O-CB 3.24Å; T261-D264 PolarHBondContact O-N 2.88Å; T261-D264 VanDerWaalsContact O-N 3.16Å; T261-D264 PolarHBondContact OG1-N 3.32Å; T261-D264 PolarHBondContact OG1-OD2 2.99Å; T261-L265 PolarHBondContact O-N 3.48Å | ||
| 262 | V | 89.7 | Confident | 88 | Confident | 18 Ų | 18 | 84.5 Ų | 84.5 | 11% | 0.109 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.6 | -28.2 | 172.7 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | W198 V201 N202 N205 D264 L265 L266 | W198-V262 HydrophobicContact CE3-CG1 4.16Å; W198-V262 HydrophobicContact CH2-CG1 4.46Å; W198-V262 HydrophobicContact CZ3-CG1 3.48Å; W198-V262 VanDerWaalsContact CZ3-CG1 3.48Å; V201-V262 HydrophobicContact CG1-CG1 3.96Å; V201-V262 HydrophobicContact CG1-CG2 4.31Å; N202-V262 WeakPolarHBondContact OD1-CG2 3.08Å; N205-V262 HydrophobicContact CB-CG2 4.01Å; V262-D264 VanDerWaalsContact C-N 3.31Å; V262-D264 PolarHBondContact O-N 3.34Å; V262-L265 WeakPolarHBondContact O-CB 3.43Å; V262-L265 PolarHBondContact O-N 3.17Å; V262-L265 VanDerWaalsContact O-N 3.16Å; V262-L266 WeakPolarHBondContact O-CG 3.1Å; V262-L266 PolarHBondContact O-N 3.18Å; V262-L266 VanDerWaalsContact O-N 3.07Å |
| 263 | A | 88.8 | Confident | 87.5 | Confident | 65 Ų | 65 | 83.2 Ų | 83.2 | 54% | 0.537 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T261 L265 L266 A267 | T261-A263 PolarHBondContact O-N 2.98Å; T261-A263 PolarHBondContact OG1-N 3.47Å; A263-L265 VanDerWaalsContact C-N 3.28Å; A263-L265 PolarHBondContact O-N 2.96Å; A263-L266 PolarHBondContact O-N 3.46Å; A263-L266 VanDerWaalsContact O-N 3.17Å; A263-A267 WeakPolarHBondContact O-CB 3.45Å; A263-A267 PolarHBondContact O-N 3.4Å |
| 264 | D | 89.2 | Confident | 87 | Confident | 82 Ų | 82 | 83.4 Ų | 83.4 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -33.5 | 175.5 | -56.5 | -60.4 | 0 | 0 | 0 | 111.9 | I260 T261 V262 L266 A268 | I260-D264 HydrophobicContact CG2-CB 4.33Å; T261-D264 PolarHBondContact N-OD2 2.95Å; T261-D264 WeakPolarHBondContact O-CB 3.24Å; T261-D264 PolarHBondContact O-N 2.88Å; T261-D264 VanDerWaalsContact O-N 3.16Å; T261-D264 PolarHBondContact OG1-N 3.32Å; T261-D264 PolarHBondContact OG1-OD2 2.99Å; V262-D264 VanDerWaalsContact C-N 3.31Å; V262-D264 PolarHBondContact O-N 3.34Å; D264-L266 VanDerWaalsContact C-N 3.35Å; D264-A268 PolarHBondContact O-N 2.94Å; D264-A268 VanDerWaalsContact O-N 3.13Å |
| 265 | L | 86.4 | Confident | 86.6 | Confident | 98 Ų | 98 | 87.2 Ų | 87.2 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 173.9 | -178.4 | 69.7 | 0 | 0 | 0 | 111.9 | V201 T261 V262 A263 A268 | V201-L265 HydrophobicContact CG1-CD2 4.2Å; T261-L265 PolarHBondContact O-N 3.48Å; V262-L265 WeakPolarHBondContact O-CB 3.43Å; V262-L265 PolarHBondContact O-N 3.17Å; V262-L265 VanDerWaalsContact O-N 3.16Å; A263-L265 VanDerWaalsContact C-N 3.28Å; A263-L265 PolarHBondContact O-N 2.96Å; L265-A268 WeakPolarHBondContact O-CB 3.47Å; L265-A268 PolarHBondContact O-N 3.46Å |
| 266 | L | 87 | Confident | 86.3 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 35% | 0.351 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -78.4 | -32.8 | 179.3 | -60.6 | 169.8 | 0 | 0 | 0 | 112.4 | F189 W198 V262 A263 D264 A268 | F189-L266 HydrophobicContact CD1-CD2 3.39Å; F189-L266 HydrophobicContact CE1-CD2 3.78Å; F189-L266 HydrophobicContact CG-CD2 4.18Å; W198-L266 HydrophobicContact CH2-CD1 3.5Å; W198-L266 VanDerWaalsContact CH2-CD1 3.5Å; W198-L266 HydrophobicContact CH2-CD2 3.67Å; W198-L266 HydrophobicContact CH2-CG 4.08Å; W198-L266 HydrophobicContact CZ2-CD1 4.45Å; W198-L266 HydrophobicContact CZ3-CD1 4.13Å; W198-L266 HydrophobicContact CZ3-CD2 4.3Å; V262-L266 WeakPolarHBondContact O-CG 3.1Å; V262-L266 PolarHBondContact O-N 3.18Å; V262-L266 VanDerWaalsContact O-N 3.07Å; A263-L266 PolarHBondContact O-N 3.46Å; A263-L266 VanDerWaalsContact O-N 3.17Å; D264-L266 VanDerWaalsContact C-N 3.35Å; L266-A268 PolarHBondContact O-N 3.47Å |
| 267 | A | 86.8 | Confident | 86 | Confident | 76 Ų | 76 | 84.3 Ų | 84.3 | 63% | 0.628 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -74.4 | -9.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A263 R269 | A263-A267 WeakPolarHBondContact O-CB 3.45Å; A263-A267 PolarHBondContact O-N 3.4Å; A267-R269 PolarHBondContact O-N 3.4Å |
| 268 | A | 88.4 | Confident | 85.5 | Confident | 10 Ų | 10 | 86.1 Ų | 86.1 | 8% | 0.083 | 47% | 0.469 | C | S | . | . | trans | -61.3 | 132.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L188 D264 L265 L266 L272 | L188-A268 HydrophobicContact CD1-CB 4.23Å; L188-A268 PolarHBondContact N-O 2.9Å; D264-A268 PolarHBondContact O-N 2.94Å; D264-A268 VanDerWaalsContact O-N 3.13Å; L265-A268 WeakPolarHBondContact O-CB 3.47Å; L265-A268 PolarHBondContact O-N 3.46Å; L266-A268 PolarHBondContact O-N 3.47Å; A268-L272 HydrophobicContact CB-CD1 3.62Å | ||
| 269 | R | 87.1 | Confident | 85 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 33% | 0.332 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -116 | 168.4 | -178.1 | -79 | 177.9 | 146.1 | 148.7 | 7.7 | 112.3 | L184 L188 A267 D271 L272 | L184-R269 WeakPolarHBondContact O-CD 3.46Å; L184-R269 PolarHBondContact O-NE 3.11Å; L188-R269 WeakPolarHBondContact CD1-O 3.36Å; L188-R269 WeakPolarHBondContact CG-O 3.09Å; A267-R269 PolarHBondContact O-N 3.4Å; R269-D271 WeakPolarHBondContact CB-OD1 3.36Å; R269-D271 PolarHBondContact O-N 2.93Å; R269-L272 WeakPolarHBondContact O-CB 3.35Å; R269-L272 PolarHBondContact O-N 3.16Å; R269-L272 VanDerWaalsContact O-N 3.09Å |
| 270 | N | 86 | Confident | 84.7 | Confident | 50 Ų | 50 | 82.7 Ų | 82.7 | 27% | 0.267 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -58.9 | -24.9 | -175.8 | 64.4 | -34.8 | 0 | 0 | 0 | 114.1 | G185 Y186 L188 L272 A273 | G185-N270 WeakPolarHBondContact CA-OD1 3.22Å; Y186-N270 HydrophobicContact CD1-CB 3.93Å; Y186-N270 HydrophobicContact CD2-CB 4.12Å; Y186-N270 HydrophobicContact CE1-CB 3.56Å; Y186-N270 WeakPolarHBondContact CE1-ND2 3.46Å; Y186-N270 HydrophobicContact CE2-CB 3.77Å; Y186-N270 HydrophobicContact CG-CB 4.19Å; Y186-N270 VanDerWaalsContact CZ-CB 3.47Å; Y186-N270 PolarHBondContact N-OD1 2.98Å; Y186-N270 PolarHBondContact O-N 2.72Å; Y186-N270 VanDerWaalsContact O-N 3.15Å; L188-N270 HydrophobicContact CD2-CB 4.43Å; N270-L272 VanDerWaalsContact C-N 3.27Å; N270-L272 PolarHBondContact O-N 3.13Å; N270-A273 WeakPolarHBondContact O-CB 3.17Å; N270-A273 PolarHBondContact O-N 3.42Å; N270-A273 VanDerWaalsContact O-N 3.12Å |
| 271 | D | 83.9 | Confident | 84.1 | Confident | 104 Ų | 104 | 82 Ų | 82 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -59.3 | -34.5 | 173.2 | 67.4 | -35.4 | 0 | 0 | 0 | 112.9 | R269 A273 H274 | R269-D271 WeakPolarHBondContact CB-OD1 3.36Å; R269-D271 PolarHBondContact O-N 2.93Å; D271-A273 PolarHBondContact O-N 3.05Å; D271-H274 VanDerWaalsContact O-CB 3.26Å; D271-H274 WeakPolarHBondContact O-CB 3.25Å; D271-H274 PolarHBondContact O-N 3.26Å |
| 272 | L | 83.9 | Confident | 83.6 | Confident | 116 Ų | 116 | 83 Ų | 83 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -64 | -20.9 | 175.8 | -70.1 | 173.8 | 0 | 0 | 0 | 113.3 | A268 R269 N270 H274 | A268-L272 HydrophobicContact CB-CD1 3.62Å; R269-L272 WeakPolarHBondContact O-CB 3.35Å; R269-L272 PolarHBondContact O-N 3.16Å; R269-L272 VanDerWaalsContact O-N 3.09Å; N270-L272 VanDerWaalsContact C-N 3.27Å; N270-L272 PolarHBondContact O-N 3.13Å; L272-H274 VanDerWaalsContact C-N 3.25Å |
| 273 | A | 82.8 | Confident | 83.2 | Confident | 71 Ų | 71 | 84.7 Ų | 84.7 | 59% | 0.587 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -77.1 | -13.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N270 D271 I275 | N270-A273 WeakPolarHBondContact O-CB 3.17Å; N270-A273 PolarHBondContact O-N 3.42Å; N270-A273 VanDerWaalsContact O-N 3.12Å; D271-A273 PolarHBondContact O-N 3.05Å; A273-I275 PolarHBondContact O-N 3.26Å; A273-I275 VanDerWaalsContact O-N 3.15Å |
| 274 | H | 83.8 | Confident | 82.8 | Confident | 143 Ų | 143 | 84.3 Ų | 84.3 | 66% | 0.662 | 47% | 0.467 | S | S | * | . | trans | -81.8 | 89.9 | 177.5 | -168.9 | 74.5 | 0 | 0 | 0 | 111.3 | D271 L272 E276 | D271-H274 VanDerWaalsContact O-CB 3.26Å; D271-H274 WeakPolarHBondContact O-CB 3.25Å; D271-H274 PolarHBondContact O-N 3.26Å; L272-H274 VanDerWaalsContact C-N 3.25Å; H274-E276 PolarHBondContact O-N 3.39Å | ||
| 275 | I | 82.8 | Confident | 82.2 | Confident | 156 Ų | 156 | 83.3 Ų | 83.3 | 80% | 0.8 | 47% | 0.47 | S | S | * | . | trans | -83.7 | 96.7 | 174.8 | -57 | 171.6 | 0 | 0 | 0 | 109.4 | A273 K277 | A273-I275 PolarHBondContact O-N 3.26Å; A273-I275 VanDerWaalsContact O-N 3.15Å; I275-K277 PolarHBondContact O-N 2.87Å | ||
| 276 | E | 82.7 | Confident | 81.9 | Confident | 104 Ų | 104 | 85 Ų | 85 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | trans | -72.7 | 126.4 | 171.2 | -165.7 | 178.8 | -169.6 | 0 | 0 | 110.5 | H274 T278 S282 V283 | H274-E276 PolarHBondContact O-N 3.39Å; E276-T278 PolarHBondContact O-N 3.49Å; E276-S282 PolarHBondContact OE1-OG 2.59Å; E276-V283 HydrophobicContact CG-CG2 3.8Å; E276-V283 WeakPolarHBondContact OE1-CG2 3.34Å | ||
| 277 | K | 81.4 | Confident | 81.5 | Confident | 149 Ų | 149 | 85 Ų | 85 | 65% | 0.648 | 49% | 0.488 | S | S | * | . | trans | -71.4 | 119.2 | 177.7 | -164.7 | 178.8 | -168.6 | -177.1 | 0 | 109.4 | I275 S279 G280 | I275-K277 PolarHBondContact O-N 2.87Å; K277-S279 VanDerWaalsContact CD-OG 3.26Å; K277-S279 WeakPolarHBondContact CD-OG 3.26Å; K277-S279 WeakPolarHBondContact CE-OG 3.49Å; K277-S279 WeakPolarHBondContact CG-OG 3.04Å; K277-S279 PolarHBondContact O-N 2.95Å; K277-S279 VanDerWaalsContact O-N 3.11Å; K277-G280 WeakPolarHBondContact O-CA 3.48Å; K277-G280 PolarHBondContact O-N 3.42Å | ||
| 278 | T | 76.5 | Confident | 81.1 | Confident | 120 Ų | 120 | 88.5 Ų | 88.5 | 74% | 0.736 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.6 | 175.9 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | E276 G280 | E276-T278 PolarHBondContact O-N 3.49Å; T278-G280 VanDerWaalsContact C-N 3.28Å |
| 279 | S | 76.2 | Confident | 80.8 | Confident | 65 Ų | 65 | 90.7 Ų | 90.7 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 4.4 | 171.5 | 86.9 | 0 | 0 | 0 | 0 | 113.7 | K277 | K277-S279 VanDerWaalsContact CD-OG 3.26Å; K277-S279 WeakPolarHBondContact CD-OG 3.26Å; K277-S279 WeakPolarHBondContact CE-OG 3.49Å; K277-S279 WeakPolarHBondContact CG-OG 3.04Å; K277-S279 PolarHBondContact O-N 2.95Å; K277-S279 VanDerWaalsContact O-N 3.11Å |
| 280 | G | 78.1 | Confident | 80.5 | Confident | 9 Ų | 9 | 95.8 Ų | 95.8 | 9% | 0.093 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -66.8 | 150.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K277 T278 S282 R284 | K277-G280 WeakPolarHBondContact O-CA 3.48Å; K277-G280 PolarHBondContact O-N 3.42Å; T278-G280 VanDerWaalsContact C-N 3.28Å; G280-S282 VanDerWaalsContact C-N 3.26Å; G280-S282 PolarHBondContact O-N 3.37Å; G280-R284 VanDerWaalsContact O-CB 3.29Å; G280-R284 WeakPolarHBondContact O-CB 3.44Å; G280-R284 WeakPolarHBondContact O-CG 3.45Å; G280-R284 PolarHBondContact O-N 3.48Å |
| 281 | P | 75.9 | Confident | 79.9 | Confident | 77 Ų | 77 | 101.7 Ų | 101.7 | 50% | 0.5 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.6 | -36.9 | 176.5 | -25.1 | 34.7 | 0 | 0 | 0 | 113.3 | A285 | P281-A285 WeakPolarHBondContact O-CB 3.4Å; P281-A285 PolarHBondContact O-N 2.96Å |
| 282 | S | 78.5 | Confident | 79.6 | Confident | 76 Ų | 76 | 99.6 Ų | 99.6 | 53% | 0.531 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.5 | -60.8 | 177.4 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | E276 G280 R284 A285 | E276-S282 PolarHBondContact OE1-OG 2.59Å; G280-S282 VanDerWaalsContact C-N 3.26Å; G280-S282 PolarHBondContact O-N 3.37Å; S282-R284 VanDerWaalsContact C-N 3.29Å; S282-R284 PolarHBondContact O-N 3.25Å; S282-A285 WeakPolarHBondContact O-CB 3.42Å; S282-A285 PolarHBondContact O-N 3.06Å |
| 283 | V | 80.5 | Confident | 79.4 | Confident | 53 Ų | 53 | 101 Ų | 101 | 32% | 0.321 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | E276 A285 T287 | E276-V283 HydrophobicContact CG-CG2 3.8Å; E276-V283 WeakPolarHBondContact OE1-CG2 3.34Å; V283-A285 PolarHBondContact O-N 3.24Å; V283-T287 WeakPolarHBondContact O-CG2 3.25Å |
| 284 | R | 81 | Confident | 79 | Confident | 56 Ų | 56 | 104.6 Ų | 104.6 | 21% | 0.211 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -75.5 | -22.9 | -175.8 | -70.3 | -167.6 | 73.2 | -145.6 | 5.4 | 114 | G280 S282 V286 T287 N292 L295 | G280-R284 VanDerWaalsContact O-CB 3.29Å; G280-R284 WeakPolarHBondContact O-CB 3.44Å; G280-R284 WeakPolarHBondContact O-CG 3.45Å; G280-R284 PolarHBondContact O-N 3.48Å; S282-R284 VanDerWaalsContact C-N 3.29Å; S282-R284 PolarHBondContact O-N 3.25Å; R284-V286 PolarHBondContact O-N 3.27Å; R284-V286 VanDerWaalsContact O-N 3.08Å; R284-T287 VanDerWaalsContact CA-OG1 3.29Å; R284-T287 WeakPolarHBondContact CA-OG1 3.34Å; R284-T287 PolarHBondContact O-N 3.07Å; R284-T287 PolarHBondContact O-OG1 3.46Å; R284-N292 PolarHBondContact NH2-ND2 3.34Å; R284-L295 HydrophobicContact CB-CD2 4.42Å; R284-L295 WeakPolarHBondContact O-CD1 3.38Å; R284-L295 VanDerWaalsContact O-CD2 3.25Å; R284-L295 WeakPolarHBondContact O-CD2 3.35Å |
| 285 | A | 76.7 | Confident | 78.6 | Confident | 62 Ų | 62 | 99.1 Ų | 99.1 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -52.4 | -35.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | P281 S282 V283 L295 | P281-A285 WeakPolarHBondContact O-CB 3.4Å; P281-A285 PolarHBondContact O-N 2.96Å; S282-A285 WeakPolarHBondContact O-CB 3.42Å; S282-A285 PolarHBondContact O-N 3.06Å; V283-A285 PolarHBondContact O-N 3.24Å; A285-L295 VanDerWaalsContact O-CD1 3.3Å; A285-L295 WeakPolarHBondContact O-CD1 3.47Å |
| 286 | V | 79.4 | Confident | 78 | Confident | 134 Ų | 134 | 95.8 Ų | 95.8 | 81% | 0.812 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -6.4 | -177.8 | -168.7 | 0 | 0 | 0 | 0 | 112.8 | R284 K288 | R284-V286 PolarHBondContact O-N 3.27Å; R284-V286 VanDerWaalsContact O-N 3.08Å; V286-K288 VanDerWaalsContact C-N 3.31Å; V286-K288 PolarHBondContact O-N 2.76Å |
| 287 | T | 79.3 | Confident | 77.2 | Confident | 67 Ų | 67 | 98.9 Ų | 98.9 | 41% | 0.411 | 53% | 0.53 | S | S | . | . | trans | -89.2 | 14.6 | -174.2 | 63.8 | 0 | 0 | 0 | 0 | 114.8 | V283 R284 S289 | V283-T287 WeakPolarHBondContact O-CG2 3.25Å; R284-T287 VanDerWaalsContact CA-OG1 3.29Å; R284-T287 WeakPolarHBondContact CA-OG1 3.34Å; R284-T287 PolarHBondContact O-N 3.07Å; R284-T287 PolarHBondContact O-OG1 3.46Å; T287-S289 PolarHBondContact O-N 3.03Å | ||
| 288 | K | 79.2 | Confident | 76.7 | Confident | 149 Ų | 149 | 93.9 Ų | 93.9 | 65% | 0.648 | 52% | 0.521 | S | S | * | . | trans | -62.1 | 123.5 | 175.3 | -170.5 | 179 | 180 | -178.9 | 0 | 109 | V286 L295 | V286-K288 VanDerWaalsContact C-N 3.31Å; V286-K288 PolarHBondContact O-N 2.76Å; K288-L295 HydrophobicContact CB-CD1 3.71Å; K288-L295 HydrophobicContact CB-CG 4.04Å; K288-L295 HydrophobicContact CG-CG 4.49Å | ||
| 289 | S | 80.6 | Confident | 76.4 | Confident | 56 Ų | 56 | 98 Ų | 98 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | trans | -129.9 | 169.4 | 178.1 | 75.5 | 0 | 0 | 0 | 0 | 111.4 | T287 L291 N292 K293 | T287-S289 PolarHBondContact O-N 3.03Å; S289-L291 PolarHBondContact O-N 3.12Å; S289-L291 PolarHBondContact OG-N 3.2Å; S289-N292 PolarHBondContact N-O 3.15Å; S289-N292 CarbonylContact O-C 3.57Å; S289-N292 PolarHBondContact O-N 2.94Å; S289-N292 PolarHBondContact OG-N 3.38Å; S289-K293 PolarHBondContact O-N 3.01Å | ||
| 290 | K | 82.3 | Confident | 76 | Confident | 195 Ų | 195 | 100.7 Ų | 100.7 | 85% | 0.848 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -58.2 | -29.2 | 175.1 | -66.9 | -176.9 | -178.5 | 177.5 | 0 | 112.1 | K293 | K290-K293 WeakPolarHBondContact O-CE 3.4Š|
| 291 | L | 72.6 | Confident | 75.8 | Confident | 173 Ų | 173 | 105.5 Ų | 105.5 | 91% | 0.906 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -85.1 | -48.4 | 176.5 | -67.3 | 172.1 | 0 | 0 | 0 | 111.7 | S289 | S289-L291 PolarHBondContact O-N 3.12Å; S289-L291 PolarHBondContact OG-N 3.2Å |
| 292 | N | 78.3 | Confident | 75.9 | Confident | 60 Ų | 60 | 107.1 Ų | 107.1 | 32% | 0.321 | 57% | 0.569 | S | S | . | * | trans | -102 | 78.4 | 178.1 | -177.8 | 28.5 | 0 | 0 | 0 | 110.3 | R284 S289 L294 | R284-N292 PolarHBondContact NH2-ND2 3.34Å; S289-N292 PolarHBondContact N-O 3.15Å; S289-N292 CarbonylContact O-C 3.57Å; S289-N292 PolarHBondContact O-N 2.94Å; S289-N292 PolarHBondContact OG-N 3.38Å; N292-L294 PolarHBondContact OD1-O 3.37Å | ||
| 293 | K | 78.7 | Confident | 75.5 | Confident | 147 Ų | 147 | 115 Ų | 115 | 64% | 0.639 | 59% | 0.587 | S | S | * | * | trans | -76.4 | -31.3 | -176.8 | -62.3 | -178.7 | -176.8 | 178.4 | 0 | 113.3 | S289 K290 | S289-K293 PolarHBondContact O-N 3.01Å; K290-K293 WeakPolarHBondContact O-CE 3.4Å | ||
| 294 | L | 75.7 | Confident | 75.4 | Confident | 145 Ų | 145 | 114.1 Ų | 114.1 | 76% | 0.759 | 59% | 0.589 | S | S | * | * | trans | -96 | 97.7 | -174.5 | -63.2 | 177.6 | 0 | 0 | 0 | 110 | N292 | N292-L294 PolarHBondContact OD1-O 3.37Š| ||
| 295 | L | 73.9 | Confident | 75.3 | Confident | 28 Ų | 28 | 114 Ų | 114 | 15% | 0.147 | 61% | 0.605 | C | S | . | * | trans | -81.7 | 119 | 164.8 | -63.5 | -178.5 | 0 | 0 | 0 | 108.1 | R284 A285 K288 Q297 | R284-L295 HydrophobicContact CB-CD2 4.42Å; R284-L295 WeakPolarHBondContact O-CD1 3.38Å; R284-L295 VanDerWaalsContact O-CD2 3.25Å; R284-L295 WeakPolarHBondContact O-CD2 3.35Å; A285-L295 VanDerWaalsContact O-CD1 3.3Å; A285-L295 WeakPolarHBondContact O-CD1 3.47Å; K288-L295 HydrophobicContact CB-CD1 3.71Å; K288-L295 HydrophobicContact CB-CG 4.04Å; K288-L295 HydrophobicContact CG-CG 4.49Å; L295-Q297 VanDerWaalsContact C-N 3.33Å; L295-Q297 HydrophobicContact CB-CG 4.41Å; L295-Q297 PolarHBondContact O-N 3.05Å | ||
| 296 | I | 70.3 | Confident | 75.6 | Confident | 86 Ų | 86 | 117.7 Ų | 117.7 | 44% | 0.441 | 61% | 0.606 | S | S | . | * | trans | -73.7 | 97.4 | 170 | -59 | 172.4 | 0 | 0 | 0 | 105.4 | M300 | I296-M300 HydrophobicContact CD1-CE 3.42Å; I296-M300 VanDerWaalsContact CD1-CE 3.42Å; I296-M300 HydrophobicContact CG2-CE 4.47Å; I296-M300 HydrophobicContact CG2-CG 4.2Å | ||
| 297 | Q | 67.1 | Low | 75.6 | Confident | 170 Ų | 170 | 116.9 Ų | 116.9 | 79% | 0.794 | 60% | 0.604 | S | S | * | * | trans | -81.5 | 134.4 | 175.6 | -65.5 | 176.8 | -10.3 | 0 | 0 | 108.5 | L295 | L295-Q297 VanDerWaalsContact C-N 3.33Å; L295-Q297 HydrophobicContact CB-CG 4.41Å; L295-Q297 PolarHBondContact O-N 3.05Å | ||
| 298 | G | 69.7 | Low | 75.7 | Confident | 44 Ų | 44 | 119.8 Ų | 119.8 | 45% | 0.454 | 62% | 0.621 | S | S | . | * | S | Bend | trans | 91.6 | 179 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | M300 | G298-M300 PolarHBondContact O-N 2.89Š|
| 299 | K | 69.8 | Low | 75.8 | Confident | 205 Ų | 205 | 117.7 Ų | 117.7 | 89% | 0.891 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121.2 | 178.5 | -171.1 | 175.8 | -178.5 | -179.7 | 0 | 108.4 | P301 | K299-P301 WeakPolarHBondContact O-CD 3.47Å; K299-P301 VanDerWaalsContact O-N 3.15Å |
| 300 | M | 69.1 | Low | 75.8 | Confident | 123 Ų | 123 | 120 Ų | 120 | 61% | 0.606 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.7 | 170.4 | -83.1 | -170.4 | 145.5 | 0 | 0 | 108.1 | I296 G298 D302 | I296-M300 HydrophobicContact CD1-CE 3.42Å; I296-M300 VanDerWaalsContact CD1-CE 3.42Å; I296-M300 HydrophobicContact CG2-CE 4.47Å; I296-M300 HydrophobicContact CG2-CG 4.2Å; G298-M300 PolarHBondContact O-N 2.89Å; M300-D302 PolarHBondContact O-N 3.38Å |
| 301 | P | 72.4 | Confident | 75.5 | Confident | 109 Ų | 109 | 119.2 Ų | 119.2 | 71% | 0.708 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132.6 | 174.8 | 21.9 | -29.3 | 0 | 0 | 0 | 108.2 | K299 R303 | K299-P301 WeakPolarHBondContact O-CD 3.47Å; K299-P301 VanDerWaalsContact O-N 3.15Å; P301-R303 PolarHBondContact O-N 3.5Å |
| 302 | D | 78.7 | Confident | 75.7 | Confident | 112 Ų | 112 | 121.6 Ų | 121.6 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 126.4 | 174.2 | -165.9 | -10.2 | 0 | 0 | 0 | 107.4 | M300 G304 R306 | M300-D302 PolarHBondContact O-N 3.38Å; D302-G304 PolarHBondContact O-N 2.8Å; D302-G304 PolarHBondContact OD1-N 3.21Å; D302-R306 IonicContact OD2-CZ 3.82Å; D302-R306 IonicContact OD2-NE 2.95Å; D302-R306 IonicContact OD2-NH2 3.82Å; D302-R306 PolarHBondContact OD2-NH2 3.22Å |
| 303 | R | 70.2 | Confident | 75.5 | Confident | 240 Ų | 240 | 123.3 Ų | 123.3 | 91% | 0.906 | 63% | 0.632 | S | S | * | * | trans | -80.2 | 0.7 | -179 | -74.7 | -167.3 | 172 | -177.9 | -1.9 | 112.1 | P301 | P301-R303 PolarHBondContact O-N 3.5Š| ||
| 304 | G | 78.8 | Confident | 75.3 | Confident | 35 Ų | 35 | 121.6 Ų | 121.6 | 36% | 0.361 | 64% | 0.635 | S | S | . | * | trans | 58.6 | -168.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D302 E309 | D302-G304 PolarHBondContact O-N 2.8Å; D302-G304 PolarHBondContact OD1-N 3.21Å; G304-E309 WeakPolarHBondContact CA-OE2 3.07Å | ||
| 305 | G | 79.4 | Confident | 75.4 | Confident | 54 Ų | 54 | 121 Ų | 121 | 56% | 0.557 | 64% | 0.64 | S | S | * | * | trans | 90.8 | 21.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E309 | G305-E309 PolarHBondContact N-OE2 3.09Š| ||
| 306 | R | 82.7 | Confident | 75.2 | Confident | 139 Ų | 139 | 128.4 Ų | 128.4 | 53% | 0.525 | 67% | 0.674 | S | S | . | * | trans | -59.2 | 139.6 | 162.2 | -58.7 | 179 | -168.3 | -161.1 | 5.3 | 107.2 | D302 T308 E309 | D302-R306 IonicContact OD2-CZ 3.82Å; D302-R306 IonicContact OD2-NE 2.95Å; D302-R306 IonicContact OD2-NH2 3.82Å; D302-R306 PolarHBondContact OD2-NH2 3.22Å; R306-T308 PolarHBondContact O-N 2.94Å; R306-E309 HydrophobicContact CB-CG 4.21Å; R306-E309 WeakPolarHBondContact CD-OE1 3.38Å; R306-E309 IonicContact NE-OE1 3.6Å; R306-E309 PolarHBondContact O-N 3.01Å | ||
| 307 | P | 77.7 | Confident | 75.3 | Confident | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -24.9 | 178 | -29.3 | 35.4 | 0 | 0 | 0 | 114.2 | ||
| 308 | T | 82 | Confident | 75.1 | Confident | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -18.4 | 176.5 | 54.1 | 0 | 0 | 0 | 0 | 115 | R306 | R306-T308 PolarHBondContact O-N 2.94Š|
| 309 | E | 82.7 | Confident | 75 | Confident | 105 Ų | 105 | 130.9 Ų | 130.9 | 49% | 0.491 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.9 | -13 | -179.5 | -66.4 | 168.3 | -175.2 | 0 | 0 | 112.5 | G304 G305 R306 E311 | G304-E309 WeakPolarHBondContact CA-OE2 3.07Å; G305-E309 PolarHBondContact N-OE2 3.09Å; R306-E309 HydrophobicContact CB-CG 4.21Å; R306-E309 WeakPolarHBondContact CD-OE1 3.38Å; R306-E309 IonicContact NE-OE1 3.6Å; R306-E309 PolarHBondContact O-N 3.01Å; E309-E311 PolarHBondContact O-N 3.36Å |
| 310 | I | 79.2 | Confident | 74.2 | Confident | 104 Ų | 104 | 131.9 Ų | 131.9 | 53% | 0.533 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -80.6 | 111.2 | 178.9 | -62.2 | 169 | 0 | 0 | 0 | 107.3 | R312 | I310-R312 PolarHBondContact O-N 3.18Å; I310-R312 VanDerWaalsContact O-N 3.13Å |
| 311 | E | 75.8 | Confident | 74 | Confident | 180 Ų | 180 | 130.6 Ų | 130.6 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 121.8 | 168.4 | -167.5 | 170 | -161.4 | 0 | 0 | 107.9 | E309 | E309-E311 PolarHBondContact O-N 3.36Š|
| 312 | R | 78.1 | Confident | 73.9 | Confident | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 131.1 | -178.4 | -171.8 | -177.2 | -76.1 | -143.6 | 0.3 | 106.9 | I310 | I310-R312 PolarHBondContact O-N 3.18Å; I310-R312 VanDerWaalsContact O-N 3.13Å |
| 313 | P | 74.4 | Confident | 72.8 | Confident | 97 Ų | 97 | 140.3 Ų | 140.3 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 136.6 | 180 | 19 | -31 | 0 | 0 | 0 | 109.1 | ||
| 314 | P | 74 | Confident | 72.1 | Confident | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 142.4 | 177.5 | 19.9 | -29.4 | 0 | 0 | 0 | 109.1 | E316 | P314-E316 PolarHBondContact O-N 3.16Š|
| 315 | P | 77 | Confident | 70.8 | Confident | 132 Ų | 132 | 142.3 Ų | 142.3 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -55.5 | 110.7 | -174.8 | 10.2 | -18.6 | 0 | 0 | 0 | 110.8 | M317 | P315-M317 PolarHBondContact O-N 3.16Å; P315-M317 VanDerWaalsContact O-N 3.15Å | ||
| 316 | E | 70.3 | Confident | 69.3 | Low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -81.1 | 14.1 | -168.5 | -129.6 | -179.7 | -156.9 | 0 | 0 | 114.1 | P314 P318 | P314-E316 PolarHBondContact O-N 3.16Å; E316-P318 WeakPolarHBondContact O-CD 3.38Å | ||
| 317 | M | 72.4 | Confident | 67.4 | Low | 138 Ų | 138 | 145.2 Ų | 145.2 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | -106.3 | 106.5 | -178.4 | -76 | -172 | 58.3 | 0 | 0 | 110.7 | P315 S319 W320 | P315-M317 PolarHBondContact O-N 3.16Å; P315-M317 VanDerWaalsContact O-N 3.15Å; M317-S319 PolarHBondContact O-N 2.9Å; M317-W320 HydrophobicContact CE-CE3 3.67Å; M317-W320 HydrophobicContact CE-CZ3 3.79Å | ||
| 318 | P | 63.6 | Low | 65.5 | Low | 110 Ų | 110 | 151.2 Ų | 151.2 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | -57.3 | 135.2 | 160.1 | 23.4 | -29.8 | 0 | 0 | 0 | 108.2 | E316 W320 | E316-P318 WeakPolarHBondContact O-CD 3.38Å; P318-W320 PolarHBondContact O-N 2.9Å | ||
| 319 | S | 65.9 | Low | 63.5 | Low | 104 Ų | 104 | 150.1 Ų | 150.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -51.6 | 110.3 | 179.1 | 56 | 0 | 0 | 0 | 0 | 109.1 | M317 S321 | M317-S319 PolarHBondContact O-N 2.9Å; S319-S321 VanDerWaalsContact C-N 3.31Å; S319-S321 PolarHBondContact O-N 3.1Å | ||
| 320 | W | 53.9 | Low | 61.4 | Low | 226 Ų | 226 | 148.6 Ų | 148.6 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -62.5 | 98.7 | 171.1 | -114 | -62.3 | 0 | 0 | 0 | 107.4 | M317 P318 Q322 | M317-W320 HydrophobicContact CE-CE3 3.67Å; M317-W320 HydrophobicContact CE-CZ3 3.79Å; P318-W320 PolarHBondContact O-N 2.9Å; W320-Q322 PolarHBondContact O-N 3.28Å; W320-Q322 VanDerWaalsContact O-N 3.17Å | ||
| 321 | S | 65.7 | Low | 59.3 | Low | 95 Ų | 95 | 155.3 Ų | 155.3 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 112.7 | 170.6 | -43.6 | 0 | 0 | 0 | 0 | 107.1 | S319 R323 | S319-S321 VanDerWaalsContact C-N 3.31Å; S319-S321 PolarHBondContact O-N 3.1Å; S321-R323 PolarHBondContact O-N 2.92Å; S321-R323 VanDerWaalsContact O-N 3.07Å | ||
| 322 | Q | 70.4 | Confident | 57.6 | Low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -55.6 | 114.4 | 176.6 | -155 | 169.1 | 5.2 | 0 | 0 | 108.3 | W320 K324 | W320-Q322 PolarHBondContact O-N 3.28Å; W320-Q322 VanDerWaalsContact O-N 3.17Å; Q322-K324 PolarHBondContact O-N 3.38Å | ||
| 323 | R | 55.1 | Low | 55.6 | Low | 236 Ų | 236 | 150.5 Ų | 150.5 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -58.6 | 125.1 | 178.1 | -76.2 | -179.7 | 157.3 | -169.3 | -6.3 | 108.3 | S321 | S321-R323 PolarHBondContact O-N 2.92Å; S321-R323 VanDerWaalsContact O-N 3.07Å | ||
| 324 | K | 56 | Low | 53.7 | Low | 197 Ų | 197 | 151.2 Ų | 151.2 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -59.7 | 134.4 | 177.3 | -63.8 | -141.8 | 178.3 | -169.4 | 0 | 109.2 | Q322 A326 | Q322-K324 PolarHBondContact O-N 3.38Å; K324-A326 PolarHBondContact O-N 3.44Å; K324-A326 VanDerWaalsContact O-N 3.1Å | ||
| 325 | P | 49.5 | Very low | 51.8 | Low | 121 Ų | 121 | 149.2 Ų | 149.2 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -63.6 | 115.4 | 176.4 | 25.4 | -30.7 | 0 | 0 | 0 | 108.1 | ||||
| 326 | A | 48.6 | Very low | 49.9 | Very low | 97 Ų | 97 | 155.8 Ų | 155.8 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -70.9 | 133.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | K324 R328 | K324-A326 PolarHBondContact O-N 3.44Å; K324-A326 VanDerWaalsContact O-N 3.1Å; A326-R328 PolarHBondContact O-N 2.74Å | ||
| 327 | D | 43.6 | Very low | 48.6 | Very low | 156 Ų | 156 | 152 Ų | 152 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -53.2 | 122 | -178 | -63.2 | -65.2 | 0 | 0 | 0 | 112.3 | ||||
| 328 | R | 38.1 | Very low | 47 | Very low | 245 Ų | 245 | 151.1 Ų | 151.1 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | 33.7 | 96.9 | 133.2 | -167.7 | -175.8 | -161 | 178.1 | 4.8 | 116.3 | A326 | A326-R328 PolarHBondContact O-N 2.74Š| ||
| 329 | A | 40.2 | Very low | 45.9 | Very low | 104 Ų | 104 | 157.9 Ų | 157.9 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 171.9 | 136.2 | 131.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 330 | G | 37.9 | Very low | 44.5 | Very low | 73 Ų | 73 | 156.1 Ų | 156.1 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | 102.8 | 87.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 331 | R | 33.8 | Very low | 43.8 | Very low | 245 Ų | 245 | 150.5 Ų | 150.5 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | 44.5 | 98 | 74.8 | -160.7 | -171.6 | -155.7 | -166.3 | 6.8 | 112.6 | |||||
| 332 | V | 40.1 | Very low | 42.3 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | trans | -177.6 | 100.2 | 135.5 | -176.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 333 | Q | 36.9 | Very low | 40.6 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | 65.6 | 122.4 | 84.2 | -169.3 | 172.8 | -25.9 | 0 | 0 | 115.4 | |||||
| 334 | S | 34.8 | Very low | 39.5 | Very low | 111 Ų | 111 | 151 Ų | 151 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | 68.5 | 124.9 | 153.8 | 63.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 335 | G | 33.1 | Very low | 38.8 | Very low | 68 Ų | 68 | 151.2 Ų | 151.2 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | 136 | 61.7 | 130.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 336 | W | 38.6 | Very low | 37.8 | Very low | 271 Ų | 271 | 149.5 Ų | 149.5 | 100% | 1.027 | 82% | 0.815 | S | S | * | * | -166.5 | 99.7 | 127.6 | -102.1 | -17.1 | 0 | 0 | 0 | 111.6 | |||||
| 337 | S | 41.8 | Very low | 37.4 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -77.2 | 130.5 | 166.2 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 338 | S | 39.4 | Very low | 36.9 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | 26.6 | 98.6 | 126.9 | -49.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 339 | R | 40.8 | Very low | 36.6 | Very low | 253 Ų | 253 | 142.2 Ų | 142.2 | 96% | 0.955 | 80% | 0.8 | S | S | * | * | trans | -152.1 | 124.8 | 144.2 | -90.2 | -177.9 | 177.8 | 170.7 | -1 | 105.1 | ||||
| 340 | G | 37.1 | Very low | 36.2 | Very low | 67 Ų | 67 | 146.4 Ų | 146.4 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | cis | 168.1 | 161.9 | 6.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 341 | S | 39.1 | Very low | 35.6 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 74.2 | 100.8 | 152.4 | -53.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 342 | N | 33.2 | Very low | 35.5 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | 82 | 82.2 | 81.7 | -83.3 | 61.8 | 0 | 0 | 0 | 112.9 | |||||
| 343 | W | 35.3 | Very low | 35.1 | Very low | 262 Ų | 262 | 147.2 Ų | 147.2 | 99% | 0.992 | 80% | 0.8 | S | S | * | * | trans | -124.5 | 78.2 | 144 | -69.7 | 91.1 | 0 | 0 | 0 | 106.9 | ||||
| 344 | N | 31.9 | Very low | 35.1 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | trans | -138.6 | 105.6 | 163.5 | -149.5 | 11.2 | 0 | 0 | 0 | 107 | ||||
| 345 | Q | 40.7 | Very low | 34.7 | Very low | 201 Ų | 201 | 145.1 Ų | 145.1 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -143.7 | 95.7 | 156.7 | -106 | 172.4 | 97.1 | 0 | 0 | 106.5 | ||||
| 346 | S | 29.7 | Very low | 34.6 | Very low | 85 Ų | 85 | 152.9 Ų | 152.9 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | trans | -58.7 | 172.1 | 161.5 | -42.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 347 | P | 40.2 | Very low | 34.3 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | -141.4 | 134.1 | 95.6 | 24.3 | -4.2 | 0 | 0 | 0 | 115.2 | |||||
| 348 | I | 32 | Very low | 33.9 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | 70 | 118.3 | 127.7 | -57.2 | 166.1 | 0 | 0 | 0 | 118.4 | |||||
| 349 | G | 32 | Very low | 33.6 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | 149.9 | 73.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 350 | M | 32.7 | Very low | 33.3 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 95% | 0.951 | 76% | 0.763 | S | S | * | * | 44.8 | 97.3 | 114.5 | -68.2 | -67.6 | -173.3 | 0 | 0 | 112.2 | |||||
| 351 | G | 25 | Very low | 32.7 | Very low | 66 Ų | 66 | 145.7 Ų | 145.7 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | 110 | 111.1 | 60.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 352 | Y | 31.8 | Very low | 32.3 | Very low | 226 Ų | 226 | 152 Ų | 152 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | 177.4 | 106.5 | 145 | -115.8 | -94.6 | 0 | 0 | 0 | 107.6 | ||||
| 353 | Q | 31.4 | Very low | 31.9 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -89.4 | 139 | 158.5 | -77.4 | -132.6 | -30.7 | 0 | 0 | 108.3 | ||||
| 354 | P | 36.9 | Very low | 31.5 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -108.7 | 110.4 | 144.6 | 24.9 | -8.9 | 0 | 0 | 0 | 108.6 | ||||
| 355 | D | 26.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | trans | -69.8 | 122 | 156 | 173.4 | 20.6 | 0 | 0 | 0 | 108.2 | S357 | D355-S357 PolarHBondContact OD1-N 2.95Å; D355-S357 PolarHBondContact OD1-OG 3.34Å | ||
| 356 | Y | 31.5 | Very low | 30.8 | Very low | 231 Ų | 231 | 142.8 Ų | 142.8 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -141.1 | 83.9 | 146.4 | -108.2 | -84.2 | 0 | 0 | 0 | 107.5 | ||||
| 357 | S | 31.4 | Very low | 30.6 | Very low | 82 Ų | 82 | 144.1 Ų | 144.1 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | trans | -71.4 | 121.5 | 152.5 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | D355 | D355-S357 PolarHBondContact OD1-N 2.95Å; D355-S357 PolarHBondContact OD1-OG 3.34Å | ||
| 358 | T | 34.1 | Very low | 29.9 | Very low | 106 Ų | 106 | 148 Ų | 148 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | 149.4 | 122.7 | 140.6 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 359 | M | 33.1 | Very low | 29.6 | Very low | 157 Ų | 157 | 144 Ų | 144 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | 145.1 | 85.2 | 146.3 | -74.9 | -52.9 | 155.5 | 0 | 0 | 108 | ||||
| 360 | Q | 33.9 | Very low | 29.6 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | 48.7 | 102.5 | 97.7 | -71.9 | -167.7 | 36 | 0 | 0 | 112.4 | |||||
| 361 | Q | 25.3 | Very low | 29.2 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | 66 | 99.4 | 96.6 | -175.1 | -175.7 | 33 | 0 | 0 | 112.6 | |||||
| 362 | Y | 29.6 | Very low | 29.3 | Very low | 238 Ų | 238 | 146.2 Ų | 146.2 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | trans | -178.9 | 129.2 | 144.2 | -90.8 | -76.2 | 0 | 0 | 0 | 102.9 | ||||
| 363 | G | 25.3 | Very low | 29.1 | Very low | 60 Ų | 60 | 140.9 Ų | 140.9 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | cis | 119.3 | 115.8 | 38.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 364 | Y | 26.5 | Very low | 29.1 | Very low | 242 Ų | 242 | 141.5 Ų | 141.5 | 95% | 0.949 | 75% | 0.752 | S | S | * | * | trans | 72.2 | 135.3 | 156.5 | -74.1 | -93.1 | 0 | 0 | 0 | 123 | ||||
| 365 | G | 29.5 | Very low | 28.5 | Very low | 66 Ų | 66 | 145.1 Ų | 145.1 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | 101.1 | 103 | 140.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 366 | Q | 28.4 | Very low | 28.4 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | 41.4 | 108.8 | 97.4 | -78.1 | -133.8 | 49.8 | 0 | 0 | 113.8 | |||||
| 367 | N | 25.2 | Very low | 28 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | 164.6 | 152.1 | 86.4 | -117.6 | -31.4 | 0 | 0 | 0 | 114.3 | |||||
| 368 | Y | 25.5 | Very low | 27.7 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 49.5 | 113.5 | 152.1 | -74 | -73.9 | 0 | 0 | 0 | 123 | ||||
| 369 | S | 26.7 | Very low | 27.7 | Very low | 84 Ų | 84 | 146.7 Ų | 146.7 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | 24.8 | 122.5 | 125.7 | 64.1 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 370 | M | 30.6 | Very low | 27.3 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -157.6 | 111 | 131.7 | -74.5 | -51.9 | 162.2 | 0 | 0 | 106.2 | ||||
| 371 | T | 24.2 | Very low | 27.1 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 37.2 | 110.3 | 94.3 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 372 | G | 27.1 | Very low | 27.5 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 171.5 | 83.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 373 | S | 27.4 | Very low | 27.7 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -15.8 | 121.9 | 155.4 | 48.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 374 | M | 32.1 | Very low | 28 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 93% | 0.931 | 78% | 0.783 | S | S | * | * | trans | -120.1 | 104 | 155.4 | -77.5 | -85.8 | 157.2 | 0 | 0 | 107.8 | ||||
| 375 | Q | 24.9 | Very low | 28.2 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -84.7 | 138.7 | 170.5 | 176.5 | 179.9 | 25.9 | 0 | 0 | 108.4 | ||||
| 376 | G | 24.5 | Very low | 28.2 | Very low | 78 Ų | 78 | 143.6 Ų | 143.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 126.4 | 130.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 377 | G | 23.5 | Very low | 28.3 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | 173.9 | 150.5 | 10.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 378 | F | 24.1 | Very low | 28.4 | Very low | 184 Ų | 184 | 144 Ų | 144 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -39.3 | 131.6 | 174.7 | -70.4 | -103.2 | 0 | 0 | 0 | 115.3 | ||||
| 379 | Y | 34.1 | Very low | 28.6 | Very low | 236 Ų | 236 | 143.4 Ų | 143.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -139 | 97.3 | 137.4 | -79.3 | -76.2 | 0 | 0 | 0 | 108.5 | ||||
| 380 | D | 24.8 | Very low | 28.8 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -68.1 | 125.5 | 154.5 | -97 | -54.7 | 0 | 0 | 0 | 108.3 | ||||
| 381 | S | 31 | Very low | 28.7 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -148.1 | 129.9 | 153.4 | -140.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | P | 32.1 | Very low | 29 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -89.3 | 127.2 | -164.3 | 33.9 | -30.3 | 0 | 0 | 0 | 110.7 | ||||
| 383 | H | 34.4 | Very low | 29.1 | Very low | 173 Ų | 173 | 157.4 Ų | 157.4 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | trans | -108.1 | 90 | 168.8 | -75 | -3.5 | 0 | 0 | 0 | 110 | F385 | H383-F385 PolarHBondContact O-N 3.16Š| ||
| 384 | N | 30.8 | Very low | 29.2 | Very low | 146 Ų | 146 | 157.8 Ų | 157.8 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | 13.1 | 94.1 | 141.4 | -154.9 | -4.5 | 0 | 0 | 0 | 115.8 | N386 | N384-N386 PolarHBondContact O-N 2.67Š| ||
| 385 | F | 32.3 | Very low | 29.2 | Very low | 200 Ų | 200 | 153.5 Ų | 153.5 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -77.7 | 95.7 | 165.5 | -87.4 | -90.8 | 0 | 0 | 0 | 108.8 | H383 L387 | H383-F385 PolarHBondContact O-N 3.16Å; F385-L387 PolarHBondContact O-N 3.42Å | ||
| 386 | N | 29 | Very low | 29.4 | Very low | 134 Ų | 134 | 152 Ų | 152 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -71.8 | 97.2 | 173.3 | -156.2 | -23 | 0 | 0 | 0 | 109.1 | N384 D388 | N384-N386 PolarHBondContact O-N 2.67Å; N386-D388 PolarHBondContact O-N 2.94Å | ||
| 387 | L | 29.3 | Very low | 29.4 | Very low | 159 Ų | 159 | 159.3 Ų | 159.3 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -87.1 | 72 | 175.7 | -176 | 73.3 | 0 | 0 | 0 | 108.9 | F385 | F385-L387 PolarHBondContact O-N 3.42Š| ||
| 388 | D | 28.2 | Very low | 29.7 | Very low | 136 Ų | 136 | 166.8 Ų | 166.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -158.4 | 73.2 | 170.3 | -93.6 | -37.2 | 0 | 0 | 0 | 111.1 | N386 | N386-D388 PolarHBondContact O-N 2.94Š| ||
| 389 | Q | 29.8 | Very low | 29.7 | Very low | 180 Ų | 180 | 161.6 Ų | 161.6 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -166.5 | 52.3 | 160.1 | -115.2 | 168.5 | 81.4 | 0 | 0 | 113.4 | ||||
| 390 | F | 31.3 | Very low | 29.4 | Very low | 217 Ų | 217 | 153.3 Ų | 153.3 | 95% | 0.952 | 80% | 0.801 | S | S | * | * | trans | -136.8 | 54.3 | 161.4 | -75.3 | -73.5 | 0 | 0 | 0 | 111.5 | ||||
| 391 | T | 28.2 | Very low | 29.6 | Very low | 127 Ų | 127 | 155.6 Ų | 155.6 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -132.7 | 141.2 | 151.5 | 59.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 392 | R | 30.4 | Very low | 29.8 | Very low | 225 Ų | 225 | 157.3 Ų | 157.3 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | trans | 97.8 | 82.6 | 176.6 | -53.9 | -170 | -176.7 | -85.2 | -3.1 | 117 | ||||
| 393 | Q | 28.8 | Very low | 29.6 | Very low | 177 Ų | 177 | 157.5 Ų | 157.5 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | 156.6 | 136.5 | 96.5 | -88.2 | 173.7 | 91.8 | 0 | 0 | 111.4 | |||||
| 394 | P | 28.9 | Very low | 29.2 | Very low | 122 Ų | 122 | 158.4 Ų | 158.4 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 132.7 | -176.6 | 28.3 | -31.8 | 0 | 0 | 0 | 111.4 | Q396 | P394-Q396 PolarHBondContact O-N 3.03Š|
| 395 | A | 33.4 | Very low | 29.1 | Very low | 99 Ų | 99 | 159.2 Ų | 159.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 118.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y397 | A395-Y397 PolarHBondContact O-N 3.44Š|
| 396 | Q | 27.6 | Very low | 28.9 | Very low | 168 Ų | 168 | 156 Ų | 156 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.7 | 172.1 | -70.7 | -76.8 | 30.9 | 0 | 0 | 109.9 | P394 Y398 | P394-Q396 PolarHBondContact O-N 3.03Å; Q396-Y398 PolarHBondContact O-N 3.08Å |
| 397 | Y | 25 | Very low | 28.9 | Very low | 231 Ų | 231 | 156.7 Ų | 156.7 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -64.5 | 97.6 | 174.8 | -119.8 | -106.4 | 0 | 0 | 0 | 109.2 | A395 G399 | A395-Y397 PolarHBondContact O-N 3.44Å; Y397-G399 PolarHBondContact O-N 3.09Å | ||
| 398 | Y | 30.2 | Very low | 28.9 | Very low | 223 Ų | 223 | 160.4 Ų | 160.4 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -79.2 | 101.4 | 162.4 | -92.3 | -90.2 | 0 | 0 | 0 | 108.3 | Q396 G400 | Q396-Y398 PolarHBondContact O-N 3.08Å; Y398-G400 VanDerWaalsContact C-N 3.35Å; Y398-G400 PolarHBondContact O-N 2.83Å | ||
| 399 | G | 23.9 | Very low | 29 | Very low | 75 Ų | 75 | 159.6 Ų | 159.6 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -65.1 | 91.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y397 | Y397-G399 PolarHBondContact O-N 3.09Š| ||
| 400 | G | 27.9 | Very low | 28.9 | Very low | 62 Ų | 62 | 161.4 Ų | 161.4 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | trans | -104.8 | 103.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y398 V402 | Y398-G400 VanDerWaalsContact C-N 3.35Å; Y398-G400 PolarHBondContact O-N 2.83Å; G400-V402 PolarHBondContact O-N 2.71Å | ||
| 401 | Q | 28.5 | Very low | 29.1 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -68.8 | 98.3 | 172.5 | -63.8 | 162.2 | 15.9 | 0 | 0 | 108.3 | ||||
| 402 | V | 35.4 | Very low | 29.3 | Very low | 136 Ų | 136 | 159.4 Ų | 159.4 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -85.7 | 122.5 | 166.8 | -99.3 | 0 | 0 | 0 | 0 | 108.4 | G400 | G400-V402 PolarHBondContact O-N 2.71Š| ||
| 403 | P | 28.7 | Very low | 29.3 | Very low | 121 Ų | 121 | 160.1 Ų | 160.1 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -65 | 138.5 | -173 | -8.5 | 17.2 | 0 | 0 | 0 | 112.2 | N405 | P403-N405 PolarHBondContact O-N 3.47Š| ||
| 404 | F | 25.2 | Very low | 29.6 | Very low | 193 Ų | 193 | 156.7 Ų | 156.7 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -59.8 | 98.4 | 173.4 | -142 | -103.1 | 0 | 0 | 0 | 109.4 | E406 | F404-E406 HydrophobicContact CD1-CG 4.39Å; F404-E406 PolarHBondContact O-N 3Å | ||
| 405 | N | 29.9 | Very low | 29.9 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -88.5 | 99.1 | 173.6 | -163.2 | 25.5 | 0 | 0 | 0 | 109.4 | P403 | P403-N405 PolarHBondContact O-N 3.47Š| ||
| 406 | E | 26.5 | Very low | 29.8 | Very low | 132 Ų | 132 | 160.4 Ų | 160.4 | 62% | 0.617 | 81% | 0.806 | S | S | * | * | trans | -69.2 | 133.8 | 172.4 | -106.1 | -178.4 | 159.1 | 0 | 0 | 111.6 | F404 | F404-E406 HydrophobicContact CD1-CG 4.39Å; F404-E406 PolarHBondContact O-N 3Å | ||
| 407 | H | 28.9 | Very low | 30.3 | Very low | 150 Ų | 150 | 162.9 Ų | 162.9 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | trans | 62.3 | 100 | 156.1 | -56.7 | 90.9 | 0 | 0 | 0 | 119.6 | ||||
| 408 | R | 29.1 | Very low | 30.8 | Very low | 237 Ų | 237 | 163.2 Ų | 163.2 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | -142.9 | 113.4 | 124.4 | -73.2 | -161 | -179.7 | -135.5 | -2.1 | 111.1 | |||||
| 409 | P | 30.6 | Very low | 31.2 | Very low | 119 Ų | 119 | 162.4 Ų | 162.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -73.5 | 128.8 | 174.2 | 27 | -28.5 | 0 | 0 | 0 | 110.6 | ||||
| 410 | Y | 29.1 | Very low | 31.8 | Very low | 217 Ų | 217 | 170 Ų | 170 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -61.8 | 134.4 | 171.9 | -73.5 | -90.3 | 0 | 0 | 0 | 110.4 | Q412 | Y410-Q412 PolarHBondContact O-N 3.32Š| ||
| 411 | P | 34.8 | Very low | 32.2 | Very low | 119 Ų | 119 | 176.3 Ų | 176.3 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -70.2 | 114.9 | -178.3 | 26.4 | -31.3 | 0 | 0 | 0 | 110.6 | R413 | P411-R413 PolarHBondContact O-N 3.44Å; P411-R413 VanDerWaalsContact O-N 3.13Å | ||
| 412 | Q | 32.4 | Very low | 32.7 | Very low | 183 Ų | 183 | 178.6 Ų | 178.6 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -65.6 | 106.7 | 168.1 | -68.1 | -74.9 | 7.3 | 0 | 0 | 108.5 | Y410 S414 | Y410-Q412 PolarHBondContact O-N 3.32Å; Q412-S414 PolarHBondContact O-N 2.8Å | ||
| 413 | R | 30.6 | Very low | 33 | Very low | 240 Ų | 240 | 187.4 Ų | 187.4 | 91% | 0.906 | 85% | 0.845 | S | S | * | * | trans | -64 | 105 | 169.5 | -81.9 | -176.4 | 168.8 | -165.4 | -2.4 | 108.8 | P411 N415 | P411-R413 PolarHBondContact O-N 3.44Å; P411-R413 VanDerWaalsContact O-N 3.13Å; R413-N415 PolarHBondContact O-N 3.36Å; R413-N415 VanDerWaalsContact O-N 3.11Å | ||
| 414 | S | 34.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 190.7 Ų | 190.7 | 74% | 0.741 | 85% | 0.848 | S | S | * | * | trans | -72.1 | 99 | 171.6 | 62.7 | 0 | 0 | 0 | 0 | 109.5 | Q412 N416 | Q412-S414 PolarHBondContact O-N 2.8Å; S414-N416 PolarHBondContact O-N 3.22Å | ||
| 415 | N | 35.8 | Very low | 33.7 | Very low | 147 Ų | 147 | 190.6 Ų | 190.6 | 79% | 0.786 | 85% | 0.849 | S | S | * | * | trans | -77.4 | 75 | 164.7 | -97.1 | -14.3 | 0 | 0 | 0 | 109.1 | R413 R417 | R413-N415 PolarHBondContact O-N 3.36Å; R413-N415 VanDerWaalsContact O-N 3.11Å; N415-R417 VanDerWaalsContact C-N 3.25Å; N415-R417 PolarHBondContact O-N 3.28Å | ||
| 416 | N | 32.2 | Very low | 33.9 | Very low | 152 Ų | 152 | 192.2 Ų | 192.2 | 81% | 0.813 | 85% | 0.848 | S | S | * | * | trans | -78.6 | 74.6 | 167.5 | -117.3 | 1.1 | 0 | 0 | 0 | 108.9 | S414 R418 | S414-N416 PolarHBondContact O-N 3.22Å; N416-R418 PolarHBondContact O-N 3.43Å; N416-R418 VanDerWaalsContact O-N 3.15Å | ||
| 417 | R | 37.9 | Very low | 34.3 | Very low | 220 Ų | 220 | 195.7 Ų | 195.7 | 83% | 0.83 | 86% | 0.861 | S | S | * | * | trans | -79.5 | 95.1 | 166.8 | -82.6 | -171.6 | -176.4 | -177.9 | 2.3 | 108.9 | N415 F419 | N415-R417 VanDerWaalsContact C-N 3.25Å; N415-R417 PolarHBondContact O-N 3.28Å; R417-F419 PolarHBondContact O-N 2.93Å; R417-F419 VanDerWaalsContact O-N 3.16Å | ||
| 418 | R | 34 | Very low | 34.7 | Very low | 238 Ų | 238 | 198.6 Ų | 198.6 | 90% | 0.898 | 87% | 0.872 | S | S | * | * | trans | -46.7 | 111.5 | 166.2 | -77.2 | 176.2 | 167.3 | 173.7 | -4.7 | 110.4 | N416 R420 | N416-R418 PolarHBondContact O-N 3.43Å; N416-R418 VanDerWaalsContact O-N 3.15Å; R418-R420 PolarHBondContact O-N 2.65Å | ||
| 419 | F | 39.1 | Very low | 35 | Very low | 206 Ų | 206 | 196 Ų | 196 | 90% | 0.904 | 87% | 0.87 | S | S | * | * | trans | -70.1 | 104.8 | 159.4 | -96.3 | -94.2 | 0 | 0 | 0 | 108 | R417 Q421 | R417-F419 PolarHBondContact O-N 2.93Å; R417-F419 VanDerWaalsContact O-N 3.16Å; F419-Q421 PolarHBondContact O-N 3.29Å | ||
| 420 | R | 36.4 | Very low | 35.3 | Very low | 234 Ų | 234 | 201.5 Ų | 201.5 | 88% | 0.883 | 88% | 0.877 | S | S | * | * | trans | -68.2 | 115.4 | 166.3 | -85.5 | -178.5 | 163.1 | 175 | -4.8 | 108 | R418 R422 | R418-R420 PolarHBondContact O-N 2.65Å; R420-R422 PolarHBondContact O-N 3.08Å | ||
| 421 | Q | 36.7 | Very low | 35.8 | Very low | 194 Ų | 194 | 200.3 Ų | 200.3 | 91% | 0.907 | 88% | 0.879 | S | S | * | * | trans | -60.2 | 119.4 | 160.7 | -73.6 | 177.1 | -13.7 | 0 | 0 | 107.9 | F419 | F419-Q421 PolarHBondContact O-N 3.29Š| ||
| 422 | R | 39.8 | Very low | 35.9 | Very low | 245 Ų | 245 | 207.1 Ų | 207.1 | 93% | 0.925 | 89% | 0.888 | S | S | * | * | trans | -78 | 129.2 | 164.2 | -84.4 | -175.1 | 165.1 | -173.1 | -4.5 | 107.4 | R420 | R420-R422 PolarHBondContact O-N 3.08Š| ||
| 423 | R | 41.9 | Very low | 36.2 | Very low | 320 Ų | 320 | 209.3 Ų | 209.3 | 100% | 1.208 | 89% | 0.891 | S | S | * | * | trans | -56.4 | 0 | 167.3 | -77.6 | -177.1 | 171 | -174.7 | -3.6 | 111.2 |
Retrieved 423 of 423 residues in 311.8 ms
(Link to these results)