| 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 | 40.8 | Very low | 47.8 | Very low | 235 Ų | 235 | 151.2 Ų | 151.2 | 100% | 1.158 | 86% | 0.863 | S | S | * | * | 0 | 125.8 | 0 | -79.8 | 83.6 | 86.2 | 0 | 0 | 109.7 | |||||
| 2 | S | 44 | Very low | 47.5 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 86% | 0.86 | S | S | * | * | trans | -6.1 | 117.2 | 160.1 | -15.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 3 | G | 48.7 | Very low | 47.8 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | trans | -85.1 | 103.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4 | E | 45.3 | Very low | 47.5 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 122.1 | 175.5 | -60.2 | -146.3 | 112 | 0 | 0 | 109.9 | ||
| 5 | R | 53 | Low | 47.9 | Very low | 238 Ų | 238 | 136.9 Ų | 136.9 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 134.2 | 166.4 | -75 | -177.3 | 175 | -173.1 | -1.2 | 108.2 | S7 | R5-S7 PolarHBondContact O-N 3.07Š|
| 6 | P | 49.1 | Very low | 48.1 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 130.3 | 173.8 | 26.2 | -30.4 | 0 | 0 | 0 | 110.5 | ||
| 7 | S | 54 | Low | 48.6 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 124 | 170.7 | 39.3 | 0 | 0 | 0 | 0 | 110.1 | R5 | R5-S7 PolarHBondContact O-N 3.07Š|
| 8 | L | 47.4 | Very low | 48.4 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 144.4 | 170.5 | -72.3 | 171.8 | 0 | 0 | 0 | 110.1 | F10 | L8-F10 PolarHBondContact O-N 3.07Š|
| 9 | P | 50.4 | Low | 48.7 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 129.6 | -172.3 | 25.1 | -33.3 | 0 | 0 | 0 | 112.1 | ||
| 10 | F | 49.5 | Very low | 49.1 | Very low | 220 Ų | 220 | 143.4 Ų | 143.4 | 97% | 0.965 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.4 | 154.4 | -116.7 | -99.1 | 0 | 0 | 0 | 108.7 | L8 | L8-F10 PolarHBondContact O-N 3.07Š|
| 11 | G | 44.2 | Very low | 49.5 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 129.4 | 124 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 12 | G | 43.6 | Very low | 50.3 | Low | 80 Ų | 80 | 141.4 Ų | 141.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 140.6 | 69.3 | 154 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 13 | G | 52.2 | Low | 50.5 | Low | 72 Ų | 72 | 141.3 Ų | 141.3 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 54.7 | 70.6 | 146 | 0 | 0 | 0 | 0 | 0 | 117 | L15 | G13-L15 PolarHBondContact O-N 3.28Š| ||
| 14 | G | 43 | Very low | 50.7 | Low | 68 Ų | 68 | 148.7 Ų | 148.7 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -58.9 | 112.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L16 | G14-L16 PolarHBondContact O-N 3.12Š| ||
| 15 | L | 53.6 | Low | 51.6 | Low | 171 Ų | 171 | 142.2 Ų | 142.2 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -67.8 | 43.7 | 167.7 | -71 | 168.9 | 0 | 0 | 0 | 111.3 | G13 R17 | G13-L15 PolarHBondContact O-N 3.28Å; L15-R17 PolarHBondContact O-N 3.41Å; L15-R17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | L | 51.6 | Low | 52.2 | Low | 165 Ų | 165 | 135.2 Ų | 135.2 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -83.7 | 61.6 | 166.6 | -58.9 | -178.4 | 0 | 0 | 0 | 108.6 | G14 | G14-L16 PolarHBondContact O-N 3.12Š| ||
| 17 | R | 55.8 | Low | 52.7 | Low | 234 Ų | 234 | 137.4 Ų | 137.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -133.5 | 34.2 | 153.9 | -132.3 | 178.7 | -168.2 | -100.1 | 4.4 | 110.9 | L15 S19 | L15-R17 PolarHBondContact O-N 3.41Å; L15-R17 VanDerWaalsContact O-N 3.09Å; R17-S19 VanDerWaalsContact C-N 3.3Å; R17-S19 PolarHBondContact O-N 3.46Å; R17-S19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | G | 45.2 | Very low | 52.8 | Low | 68 Ų | 68 | 136.9 Ų | 136.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -68.2 | 96.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | R20 | G18-R20 PolarHBondContact O-N 2.94Š| ||
| 19 | S | 55.1 | Low | 53.1 | Low | 87 Ų | 87 | 139.6 Ų | 139.6 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | -37.1 | 124 | 161.8 | -55.7 | 0 | 0 | 0 | 0 | 108.6 | R17 T21 | R17-S19 VanDerWaalsContact C-N 3.3Å; R17-S19 PolarHBondContact O-N 3.46Å; R17-S19 VanDerWaalsContact O-N 3.07Å; S19-T21 PolarHBondContact O-N 3Å; S19-T21 PolarHBondContact O-OG1 3.42Å | ||
| 20 | R | 56.5 | Low | 53.5 | Low | 259 Ų | 259 | 136.8 Ų | 136.8 | 98% | 0.977 | 77% | 0.765 | S | S | * | * | trans | -64 | 69.5 | 163 | -80.4 | 179.4 | 156.9 | 121.7 | -6.5 | 107.9 | G18 | G18-R20 PolarHBondContact O-N 2.94Š| ||
| 21 | T | 57.5 | Low | 53.8 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | trans | -94.9 | 131.7 | 169.1 | 20.9 | 0 | 0 | 0 | 0 | 107.4 | S19 | S19-T21 PolarHBondContact O-N 3Å; S19-T21 PolarHBondContact O-OG1 3.42Å | ||
| 22 | R | 56.1 | Low | 54.4 | Low | 228 Ų | 228 | 134 Ų | 134 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | 91.6 | 65.9 | 177.4 | -52.8 | 163 | 176.8 | -91.5 | -2 | 113.2 | Y24 | R22-Y24 VanDerWaalsContact C-N 3.29Å; R22-Y24 PolarHBondContact O-N 2.86Å; R22-Y24 VanDerWaalsContact O-N 3.13Å | ||
| 23 | S | 49.2 | Very low | 55.3 | Low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -57.4 | 110.1 | 131.4 | -165.5 | 0 | 0 | 0 | 0 | 105.8 | G25 | S23-G25 VanDerWaalsContact C-N 3.25Å; S23-G25 PolarHBondContact O-N 2.93Å | ||
| 24 | Y | 52.3 | Low | 55.7 | Low | 235 Ų | 235 | 132.5 Ų | 132.5 | 92% | 0.922 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -70.8 | 92.2 | 168.3 | -178.4 | -96.5 | 0 | 0 | 0 | 106.1 | R22 | R22-Y24 VanDerWaalsContact C-N 3.29Å; R22-Y24 PolarHBondContact O-N 2.86Å; R22-Y24 VanDerWaalsContact O-N 3.13Å |
| 25 | G | 65.3 | Low | 56.6 | Low | 48 Ų | 48 | 135.5 Ų | 135.5 | 50% | 0.495 | 72% | 0.717 | S | S | . | * | S | Bend | trans | 160 | 121 | -173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | S23 | S23-G25 VanDerWaalsContact C-N 3.25Å; S23-G25 PolarHBondContact O-N 2.93Å |
| 26 | S | 64.8 | Low | 57.2 | Low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -53.4 | 138.5 | -173.2 | -169.6 | 0 | 0 | 0 | 0 | 113.6 | T28 | S26-T28 VanDerWaalsContact C-N 3.25Å; S26-T28 WeakPolarHBondContact OG-CB 3.34Å; S26-T28 WeakPolarHBondContact OG-CG2 3.49Å; S26-T28 PolarHBondContact OG-N 3.44Å; S26-T28 PolarHBondContact OG-OG1 3.12Å | ||
| 27 | L | 59.9 | Low | 58.5 | Low | 169 Ų | 169 | 129 Ų | 129 | 89% | 0.885 | 67% | 0.672 | S | S | * | * | trans | -84.5 | 1.7 | 165.9 | -64.7 | 179.7 | 0 | 0 | 0 | 112.5 | R29 | L27-R29 PolarHBondContact O-N 3.48Š| ||
| 28 | T | 55.8 | Low | 59.8 | Low | 106 Ų | 106 | 124.2 Ų | 124.2 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | trans | -72.6 | 100.6 | 169.8 | 66.2 | 0 | 0 | 0 | 0 | 107.6 | S26 S30 | S26-T28 VanDerWaalsContact C-N 3.25Å; S26-T28 WeakPolarHBondContact OG-CB 3.34Å; S26-T28 WeakPolarHBondContact OG-CG2 3.49Å; S26-T28 PolarHBondContact OG-N 3.44Å; S26-T28 PolarHBondContact OG-OG1 3.12Å; T28-S30 PolarHBondContact O-N 2.95Å | ||
| 29 | R | 53.5 | Low | 61.9 | Low | 218 Ų | 218 | 126.7 Ų | 126.7 | 82% | 0.823 | 65% | 0.654 | S | S | * | * | trans | -63.1 | 86.5 | 162.1 | -77.3 | -176 | -95.6 | -139.8 | -3.2 | 107.2 | L27 S31 | L27-R29 PolarHBondContact O-N 3.48Å; R29-S31 PolarHBondContact O-N 3.39Å | ||
| 30 | S | 58.8 | Low | 63.6 | Low | 62 Ų | 62 | 125 Ų | 125 | 43% | 0.434 | 64% | 0.638 | S | S | . | * | trans | -55.8 | 136.1 | 169.2 | 45.4 | 0 | 0 | 0 | 0 | 107.7 | T28 L32 S33 | T28-S30 PolarHBondContact O-N 2.95Å; S30-L32 PolarHBondContact O-N 2.99Å; S30-S33 WeakPolarHBondContact O-CB 3.3Å; S30-S33 PolarHBondContact O-N 3.22Å; S30-S33 PolarHBondContact O-OG 3.45Å; S30-S33 VanDerWaalsContact O-OG 3.09Å | ||
| 31 | S | 56.3 | Low | 65.3 | Low | 102 Ų | 102 | 119.4 Ų | 119.4 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -20 | 171.7 | 45.8 | 0 | 0 | 0 | 0 | 112.3 | R29 | R29-S31 PolarHBondContact O-N 3.39Š|
| 32 | L | 57 | Low | 66.9 | Low | 136 Ų | 136 | 114.9 Ų | 114.9 | 71% | 0.712 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 12.8 | 171.7 | -63.6 | 168.7 | 0 | 0 | 0 | 114 | S30 | S30-L32 PolarHBondContact O-N 2.99Š|
| 33 | S | 61.2 | Low | 68.6 | Low | 18 Ų | 18 | 108.5 Ų | 108.5 | 13% | 0.126 | 58% | 0.58 | C | S | . | * | trans | -64.1 | 131.9 | 174.9 | 67.2 | 0 | 0 | 0 | 0 | 109.3 | S30 V35 R36 | S30-S33 WeakPolarHBondContact O-CB 3.3Å; S30-S33 PolarHBondContact O-N 3.22Å; S30-S33 PolarHBondContact O-OG 3.45Å; S30-S33 VanDerWaalsContact O-OG 3.09Å; S33-V35 PolarHBondContact O-N 3.48Å; S33-R36 PolarHBondContact O-N 3.37Å | ||
| 34 | P | 60.6 | Low | 70.5 | Confident | 102 Ų | 102 | 104.5 Ų | 104.5 | 66% | 0.662 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -55.7 | -13.3 | 180 | -24.1 | 31.4 | 0 | 0 | 0 | 114.2 | R36 Q37 | P34-R36 VanDerWaalsContact C-N 3.27Å; P34-R36 PolarHBondContact O-N 3.15Å; P34-Q37 PolarHBondContact O-N 3.15Å |
| 35 | V | 61.7 | Low | 72.2 | Confident | 131 Ų | 131 | 99.9 Ų | 99.9 | 79% | 0.794 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -67.4 | -24.4 | -178.1 | -176 | 0 | 0 | 0 | 0 | 112.5 | S33 | S33-V35 PolarHBondContact O-N 3.48Š|
| 36 | R | 66.3 | Low | 73.1 | Confident | 128 Ų | 128 | 103.7 Ų | 103.7 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -101.4 | 6.6 | 179.6 | -54.3 | -163.6 | 174.8 | -150.1 | 5.9 | 114.6 | S33 P34 S88 D89 | S33-R36 PolarHBondContact O-N 3.37Å; P34-R36 VanDerWaalsContact C-N 3.27Å; P34-R36 PolarHBondContact O-N 3.15Å; R36-S88 PolarHBondContact O-N 3.37Å; R36-S88 VanDerWaalsContact O-N 3.15Å; R36-D89 WeakPolarHBondContact CB-OD2 3.4Å; R36-D89 VanDerWaalsContact CD-OD1 3.29Å; R36-D89 WeakPolarHBondContact CD-OD1 3.19Å; R36-D89 WeakPolarHBondContact CD-OD2 3.5Å; R36-D89 WeakPolarHBondContact CG-OD2 3.44Å; R36-D89 IonicContact CZ-OD1 3.02Å; R36-D89 IonicContact NE-OD1 3.67Å; R36-D89 IonicContact NE-OD2 3.93Å; R36-D89 IonicContact NH1-OD1 3.37Å; R36-D89 PolarHBondContact NH1-OD1 2.94Å; R36-D89 IonicContact NH1-OD2 2.68Å |
| 37 | Q | 79.1 | Confident | 74.2 | Confident | 73 Ų | 73 | 102.4 Ų | 102.4 | 34% | 0.341 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.2 | 175.5 | -53.3 | -171 | -50.5 | 0 | 0 | 109.5 | P34 L87 | P34-Q37 PolarHBondContact O-N 3.15Å; Q37-L87 HydrophobicContact CG-CD2 3.65Å; Q37-L87 VanDerWaalsContact NE2-CD2 3.26Å |
| 38 | K | 84.8 | Confident | 75.5 | Confident | 133 Ų | 133 | 96.3 Ų | 96.3 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.8 | 172.3 | -175.6 | 177.6 | 179.1 | 179.9 | 0 | 109.1 | I40 V86 | K38-I40 HydrophobicContact CG-CG1 4.42Å; K38-I40 PolarHBondContact O-N 3.28Å; K38-V86 PolarHBondContact N-O 3.04Å; K38-V86 PolarHBondContact O-N 2.68Å |
| 39 | L | 88.5 | Confident | 77.1 | Confident | 120 Ų | 120 | 94.9 Ų | 94.9 | 63% | 0.628 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 118.9 | 171.4 | -68.7 | 169.3 | 0 | 0 | 0 | 109.4 | I84 P85 | L39-I84 WeakPolarHBondContact CA-O 3.47Å; L39-P85 HydrophobicContact CD2-CB 3.84Å |
| 40 | I | 89.6 | Confident | 78.8 | Confident | 51 Ų | 51 | 85.7 Ų | 85.7 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.1 | 172.7 | -57.1 | -175.8 | 0 | 0 | 0 | 108.1 | K38 Y57 I84 V86 | K38-I40 HydrophobicContact CG-CG1 4.42Å; K38-I40 PolarHBondContact O-N 3.28Å; I40-Y57 HydrophobicContact CD1-CD1 4.24Å; I40-Y57 HydrophobicContact CD1-CE1 4.23Å; I40-Y57 HydrophobicContact CG2-CE1 4.16Å; I40-I84 PolarHBondContact N-O 3.04Å; I40-I84 PolarHBondContact O-N 2.9Å; I40-V86 HydrophobicContact CD1-CB 4.24Å; I40-V86 HydrophobicContact CD1-CG2 3.53Å; I40-V86 HydrophobicContact CG1-CG2 3.94Å |
| 41 | E | 92.7 | Very high | 80.3 | Confident | 142 Ų | 142 | 89.6 Ų | 89.6 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 120 | 169.9 | -170.4 | 172.5 | -172.9 | 0 | 0 | 109.5 | S81 | E41-S81 VanDerWaalsContact OE1-CB 3.23Å; E41-S81 WeakPolarHBondContact OE1-CB 3.23Å; E41-S81 PolarHBondContact OE1-OG 2.97Å |
| 42 | H | 91.4 | Very high | 82 | Confident | 15 Ų | 15 | 86.2 Ų | 86.2 | 7% | 0.069 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.8 | 177.9 | 176.2 | 76.9 | 0 | 0 | 0 | 110.2 | V44 E48 K56 Y57 S81 L82 I84 | H42-V44 PolarHBondContact O-N 3.12Å; H42-E48 IonicContact CD2-OE2 3.87Å; H42-E48 IonicContact CE1-OE1 3.68Å; H42-E48 IonicContact CE1-OE2 3.96Å; H42-E48 IonicContact NE2-OE1 2.75Å; H42-E48 PolarHBondContact NE2-OE1 3.02Å; H42-E48 IonicContact NE2-OE2 3.73Å; H42-E48 PolarHBondContact NE2-OE2 2.94Å; H42-K56 PolarHBondContact CE1-NZ 2.83Å; H42-Y57 HydrophobicContact CB-CE2 4.25Å; H42-Y57 AromaticContact CG-CE2 3.99Å; H42-Y57 AromaticContact ND1-CE2 3.96Å; H42-Y57 AromaticContact ND1-CZ 3.86Å; H42-Y57 PolarHBondContact ND1-OH 3.22Å; H42-S81 CarbonylContact O-C 3.5Å; H42-S81 VanDerWaalsContact O-CA 3.32Å; H42-S81 WeakPolarHBondContact O-CA 3.36Å; H42-L82 PolarHBondContact N-O 3.41Å; H42-L82 PolarHBondContact O-N 3.2Å; H42-I84 HydrophobicContact CB-CD1 3.7Å; H42-I84 HydrophobicContact CB-CG1 4.48Å |
| 43 | T | 91.3 | Very high | 83.6 | Confident | 94 Ų | 94 | 80 Ų | 80 | 58% | 0.577 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 120.9 | 174.8 | -49.9 | 0 | 0 | 0 | 0 | 109.8 | K45 K80 | T43-K45 PolarHBondContact O-N 2.92Å; T43-K80 WeakPolarHBondContact CA-O 3.49Å; T43-K80 WeakPolarHBondContact CG2-O 3.34Å |
| 44 | V | 88.8 | Confident | 85 | Confident | 21 Ų | 21 | 79.5 Ų | 79.5 | 13% | 0.127 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 126 | -176.5 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | H42 E48 I76 Y77 K80 L82 | H42-V44 PolarHBondContact O-N 3.12Å; V44-E48 WeakPolarHBondContact CA-OE2 3.43Å; V44-I76 HydrophobicContact CG1-CD1 4.43Å; V44-Y77 HydrophobicContact CG1-CD1 4.34Å; V44-K80 PolarHBondContact N-O 2.75Å; V44-L82 HydrophobicContact CG2-CB 4.48Å; V44-L82 HydrophobicContact CG2-CD1 3.58Å; V44-L82 HydrophobicContact CG2-CG 3.59Å |
| 45 | K | 88.5 | Confident | 86.4 | Confident | 137 Ų | 137 | 81.5 Ų | 81.5 | 60% | 0.596 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 151.4 | 173.1 | -65.5 | -179.5 | -178.6 | 179.2 | 0 | 111.1 | T43 G47 E48 | T43-K45 PolarHBondContact O-N 2.92Å; K45-G47 PolarHBondContact O-N 3.45Å; K45-E48 HydrophobicContact CB-CG 4Å; K45-E48 PolarHBondContact N-OE2 3.34Å; K45-E48 WeakPolarHBondContact O-CB 3.3Å; K45-E48 PolarHBondContact O-N 3.47Å; K45-E48 VanDerWaalsContact O-N 3.12Å |
| 46 | P | 85.6 | Confident | 87.8 | Confident | 129 Ų | 129 | 81.3 Ų | 81.3 | 84% | 0.838 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 127.7 | 174.6 | 25.4 | -33.7 | 0 | 0 | 0 | 110.1 | ||
| 47 | G | 85.9 | Confident | 88.9 | Confident | 63 Ų | 63 | 77.5 Ų | 77.5 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.8 | -6.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K45 | K45-G47 PolarHBondContact O-N 3.45Š|
| 48 | E | 88.6 | Confident | 89.3 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 19% | 0.192 | 43% | 0.432 | C | S | . | . | trans | -73.9 | 143.9 | 169.4 | -71.6 | -177.7 | 161.6 | 0 | 0 | 110.9 | H42 V44 K45 L53 I76 Y77 | H42-E48 IonicContact CD2-OE2 3.87Å; H42-E48 IonicContact CE1-OE1 3.68Å; H42-E48 IonicContact CE1-OE2 3.96Å; H42-E48 IonicContact NE2-OE1 2.75Å; H42-E48 PolarHBondContact NE2-OE1 3.02Å; H42-E48 IonicContact NE2-OE2 3.73Å; H42-E48 PolarHBondContact NE2-OE2 2.94Å; V44-E48 WeakPolarHBondContact CA-OE2 3.43Å; K45-E48 HydrophobicContact CB-CG 4Å; K45-E48 PolarHBondContact N-OE2 3.34Å; K45-E48 WeakPolarHBondContact O-CB 3.3Å; K45-E48 PolarHBondContact O-N 3.47Å; K45-E48 VanDerWaalsContact O-N 3.12Å; E48-L53 HydrophobicContact CB-CD1 3.69Å; E48-L53 HydrophobicContact CG-CD1 4.18Å; E48-I76 WeakPolarHBondContact O-CD1 3.27Å; E48-Y77 PolarHBondContact O-OH 3.33Å | ||
| 49 | T | 89.9 | Confident | 89.6 | Confident | 76 Ų | 76 | 71.8 Ų | 71.8 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | trans | -117.6 | 151.6 | 177 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | Q51 G52 L53 | T49-Q51 PolarHBondContact O-N 2.81Å; T49-Q51 VanDerWaalsContact O-N 3.15Å; T49-G52 PolarHBondContact O-N 3.35Å; T49-G52 PolarHBondContact OG1-N 3.2Å; T49-G52 VanDerWaalsContact OG1-N 3.07Å; T49-L53 VanDerWaalsContact O-CD1 3.3Å; T49-L53 WeakPolarHBondContact O-CD1 3.29Å; T49-L53 PolarHBondContact O-N 2.68Å | ||
| 50 | L | 88.4 | Confident | 89.7 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.131 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -54 | -36.3 | 174.5 | -79.5 | 174.4 | 0 | 0 | 0 | 112.2 | L53 A54 V61 I64 K65 L70 I76 L82 | L50-L53 PolarHBondContact O-N 3.15Å; L50-A54 VanDerWaalsContact O-CB 3.26Å; L50-A54 WeakPolarHBondContact O-CB 3.15Å; L50-A54 PolarHBondContact O-N 3.29Å; L50-V61 HydrophobicContact CB-CG1 4.14Å; L50-V61 HydrophobicContact CD1-CG1 4.37Å; L50-I64 HydrophobicContact CD2-CB 4.48Å; L50-I64 HydrophobicContact CD2-CG2 3.71Å; L50-K65 HydrophobicContact CD1-CG 4.08Å; L50-L70 HydrophobicContact CD2-CD1 4.3Å; L50-I76 HydrophobicContact CD1-CG2 3.77Å; L50-I76 HydrophobicContact CD2-CG2 3.4Å; L50-I76 HydrophobicContact CG-CG2 3.32Å; L50-L82 HydrophobicContact CD2-CD1 4.13Å |
| 51 | Q | 90.4 | Very high | 89.7 | Confident | 144 Ų | 144 | 69.2 Ų | 69.2 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69 | -42 | 179.9 | -148.6 | 161.4 | 2.9 | 0 | 0 | 111.1 | T49 A54 L55 | T49-Q51 PolarHBondContact O-N 2.81Å; T49-Q51 VanDerWaalsContact O-N 3.15Å; Q51-A54 WeakPolarHBondContact O-CB 3.11Å; Q51-A54 PolarHBondContact O-N 3.27Å; Q51-L55 WeakPolarHBondContact O-CG 3.26Å; Q51-L55 PolarHBondContact O-N 2.99Å; Q51-L55 VanDerWaalsContact O-N 3.12Å |
| 52 | G | 91.9 | Very high | 89.6 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | T49 L55 K56 | T49-G52 PolarHBondContact O-N 3.35Å; T49-G52 PolarHBondContact OG1-N 3.2Å; T49-G52 VanDerWaalsContact OG1-N 3.07Å; G52-L55 PolarHBondContact O-N 3.19Å; G52-K56 WeakPolarHBondContact O-CB 3.23Å; G52-K56 PolarHBondContact O-N 2.79Å |
| 53 | L | 90.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 175.3 | -90.9 | 65 | 0 | 0 | 0 | 111.7 | E48 T49 L50 L55 K56 Y57 I64 L82 I84 | E48-L53 HydrophobicContact CB-CD1 3.69Å; E48-L53 HydrophobicContact CG-CD1 4.18Å; T49-L53 VanDerWaalsContact O-CD1 3.3Å; T49-L53 WeakPolarHBondContact O-CD1 3.29Å; T49-L53 PolarHBondContact O-N 2.68Å; L50-L53 PolarHBondContact O-N 3.15Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.45Å; L53-K56 PolarHBondContact O-N 3.49Å; L53-Y57 VanDerWaalsContact O-CD2 3.29Å; L53-Y57 WeakPolarHBondContact O-CD2 3.47Å; L53-Y57 PolarHBondContact O-N 3.34Å; L53-I64 HydrophobicContact CB-CD1 4.26Å; L53-L82 HydrophobicContact CD2-CD1 3.76Å; L53-I84 HydrophobicContact CD2-CD1 4.25Å |
| 54 | A | 90.9 | Very high | 89.4 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 7% | 0.066 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -54.7 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L50 Q51 G58 V59 V61 I64 | L50-A54 VanDerWaalsContact O-CB 3.26Å; L50-A54 WeakPolarHBondContact O-CB 3.15Å; L50-A54 PolarHBondContact O-N 3.29Å; Q51-A54 WeakPolarHBondContact O-CB 3.11Å; Q51-A54 PolarHBondContact O-N 3.27Å; A54-G58 WeakPolarHBondContact O-CA 3.48Å; A54-G58 PolarHBondContact O-N 3.37Å; A54-V59 CarbonylContact C-O 3.55Å; A54-V59 VanDerWaalsContact CA-O 3.3Å; A54-V59 WeakPolarHBondContact CA-O 3.37Å; A54-V59 WeakPolarHBondContact CB-O 3.49Å; A54-V59 PolarHBondContact O-N 3.04Å; A54-V61 HydrophobicContact CB-CG2 3.64Å; A54-I64 HydrophobicContact CB-CD1 4.09Å |
| 55 | L | 90.8 | Very high | 89.4 | Confident | 144 Ų | 144 | 69.2 Ų | 69.2 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 176.8 | -67 | 172 | 0 | 0 | 0 | 112.4 | Q51 G52 L53 Y57 G58 | Q51-L55 WeakPolarHBondContact O-CG 3.26Å; Q51-L55 PolarHBondContact O-N 2.99Å; Q51-L55 VanDerWaalsContact O-N 3.12Å; G52-L55 PolarHBondContact O-N 3.19Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.45Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.49Å; L55-G58 PolarHBondContact O-N 2.92Å |
| 56 | K | 90.5 | Very high | 89.4 | Confident | 127 Ų | 127 | 72.7 Ų | 72.7 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.3 | -39.1 | -179.7 | -178.6 | -176.2 | 175.1 | -161.6 | 0 | 112.8 | H42 G52 L53 | H42-K56 PolarHBondContact CE1-NZ 2.83Å; G52-K56 WeakPolarHBondContact O-CB 3.23Å; G52-K56 PolarHBondContact O-N 2.79Å; L53-K56 PolarHBondContact O-N 3.49Å |
| 57 | Y | 89.1 | Confident | 89.5 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -100.2 | -1.4 | -175.8 | -70.4 | -78.3 | 0 | 0 | 0 | 113.8 | I40 H42 L53 L55 V59 I84 V86 | I40-Y57 HydrophobicContact CD1-CD1 4.24Å; I40-Y57 HydrophobicContact CD1-CE1 4.23Å; I40-Y57 HydrophobicContact CG2-CE1 4.16Å; H42-Y57 HydrophobicContact CB-CE2 4.25Å; H42-Y57 AromaticContact CG-CE2 3.99Å; H42-Y57 AromaticContact ND1-CE2 3.96Å; H42-Y57 AromaticContact ND1-CZ 3.86Å; H42-Y57 PolarHBondContact ND1-OH 3.22Å; L53-Y57 VanDerWaalsContact O-CD2 3.29Å; L53-Y57 WeakPolarHBondContact O-CD2 3.47Å; L53-Y57 PolarHBondContact O-N 3.34Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.49Å; Y57-V59 VanDerWaalsContact C-N 3.33Å; Y57-V59 PolarHBondContact O-N 3.01Å; Y57-I84 HydrophobicContact CD1-CG2 4.49Å; Y57-I84 HydrophobicContact CD2-CD1 3.34Å; Y57-I84 HydrophobicContact CD2-CG2 4.35Å; Y57-I84 HydrophobicContact CE2-CD1 3.45Å; Y57-I84 VanDerWaalsContact CE2-CD1 3.45Å; Y57-I84 HydrophobicContact CG-CD1 3.97Å; Y57-I84 HydrophobicContact CG-CG2 3.97Å; Y57-V86 HydrophobicContact CD1-CG2 4.25Å |
| 58 | G | 88.3 | Confident | 89.7 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 33.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A54 L55 | A54-G58 WeakPolarHBondContact O-CA 3.48Å; A54-G58 PolarHBondContact O-N 3.37Å; L55-G58 PolarHBondContact O-N 2.92Å |
| 59 | V | 89.5 | Confident | 89.7 | Confident | 17 Ų | 17 | 74 Ų | 74 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | trans | -123 | 157.9 | -177.5 | -62 | 0 | 0 | 0 | 0 | 110.5 | A54 Y57 I64 I84 P85 V86 | A54-V59 CarbonylContact C-O 3.55Å; A54-V59 VanDerWaalsContact CA-O 3.3Å; A54-V59 WeakPolarHBondContact CA-O 3.37Å; A54-V59 WeakPolarHBondContact CB-O 3.49Å; A54-V59 PolarHBondContact O-N 3.04Å; Y57-V59 VanDerWaalsContact C-N 3.33Å; Y57-V59 PolarHBondContact O-N 3.01Å; V59-I64 HydrophobicContact CG2-CD1 3.56Å; V59-I64 HydrophobicContact CG2-CG1 3.59Å; V59-I84 HydrophobicContact CG1-CG2 4.23Å; V59-I84 HydrophobicContact CG2-CG2 3.76Å; V59-P85 WeakPolarHBondContact CG1-O 3.17Å; V59-V86 HydrophobicContact CG1-CG2 4.47Å | ||
| 60 | T | 91.2 | Very high | 89.5 | Confident | 74 Ų | 74 | 71 Ų | 71 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | trans | -77.1 | 148.5 | 175.6 | 67.8 | 0 | 0 | 0 | 0 | 111.5 | E62 L63 I64 | T60-E62 PolarHBondContact O-N 2.88Å; T60-L63 WeakPolarHBondContact O-CB 3.38Å; T60-L63 PolarHBondContact O-N 3.45Å; T60-L63 VanDerWaalsContact O-N 3.12Å; T60-L63 WeakPolarHBondContact OG1-CB 3.33Å; T60-L63 WeakPolarHBondContact OG1-CD1 3.49Å; T60-L63 VanDerWaalsContact OG1-CG 3.23Å; T60-L63 WeakPolarHBondContact OG1-CG 2.75Å; T60-L63 PolarHBondContact OG1-N 3.33Å; T60-I64 PolarHBondContact O-N 2.85Å | ||
| 61 | V | 90.3 | Very high | 89.1 | Confident | 43 Ų | 43 | 78 Ų | 78 | 26% | 0.261 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.2 | -37.9 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L50 A54 L63 I64 K65 | L50-V61 HydrophobicContact CB-CG1 4.14Å; L50-V61 HydrophobicContact CD1-CG1 4.37Å; A54-V61 HydrophobicContact CB-CG2 3.64Å; V61-L63 PolarHBondContact O-N 2.78Å; V61-I64 PolarHBondContact O-N 2.77Å; V61-K65 HydrophobicContact CG1-CD 4.14Å; V61-K65 HydrophobicContact CG1-CG 4.36Å; V61-K65 WeakPolarHBondContact O-CB 3.48Å; V61-K65 WeakPolarHBondContact O-CG 3.26Å; V61-K65 PolarHBondContact O-N 3.06Å |
| 62 | E | 89.4 | Confident | 88.3 | Confident | 154 Ų | 154 | 77 Ų | 77 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 177.6 | -63.1 | 176.4 | -178.6 | 0 | 0 | 112.4 | T60 K65 R66 | T60-E62 PolarHBondContact O-N 2.88Å; E62-K65 PolarHBondContact O-N 3.38Å; E62-R66 VanDerWaalsContact O-CB 3.29Å; E62-R66 WeakPolarHBondContact O-CB 2.99Å; E62-R66 PolarHBondContact O-N 3.03Å |
| 63 | L | 89 | Confident | 87.3 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 176.4 | -79.5 | 168.6 | 0 | 0 | 0 | 111.5 | T60 V61 K65 R66 A67 P85 | T60-L63 WeakPolarHBondContact O-CB 3.38Å; T60-L63 PolarHBondContact O-N 3.45Å; T60-L63 VanDerWaalsContact O-N 3.12Å; T60-L63 WeakPolarHBondContact OG1-CB 3.33Å; T60-L63 WeakPolarHBondContact OG1-CD1 3.49Å; T60-L63 VanDerWaalsContact OG1-CG 3.23Å; T60-L63 WeakPolarHBondContact OG1-CG 2.75Å; T60-L63 PolarHBondContact OG1-N 3.33Å; V61-L63 PolarHBondContact O-N 2.78Å; L63-K65 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 3.43Å; L63-R66 PolarHBondContact O-N 2.75Å; L63-A67 VanDerWaalsContact O-CB 3.27Å; L63-A67 WeakPolarHBondContact O-CB 3.29Å; L63-A67 PolarHBondContact O-N 3.45Å; L63-P85 HydrophobicContact CB-CG 4.28Å |
| 64 | I | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.5 | -60.4 | 173.5 | 0 | 0 | 0 | 110 | L50 L53 A54 V59 T60 V61 A67 N68 L82 I84 | L50-I64 HydrophobicContact CD2-CB 4.48Å; L50-I64 HydrophobicContact CD2-CG2 3.71Å; L53-I64 HydrophobicContact CB-CD1 4.26Å; A54-I64 HydrophobicContact CB-CD1 4.09Å; V59-I64 HydrophobicContact CG2-CD1 3.56Å; V59-I64 HydrophobicContact CG2-CG1 3.59Å; T60-I64 PolarHBondContact O-N 2.85Å; V61-I64 PolarHBondContact O-N 2.77Å; I64-A67 PolarHBondContact O-N 2.86Å; I64-N68 WeakPolarHBondContact O-CB 3.36Å; I64-N68 PolarHBondContact O-N 2.83Å; I64-N68 PolarHBondContact O-ND2 2.76Å; I64-L82 HydrophobicContact CG2-CD1 4.48Å; I64-I84 HydrophobicContact CG1-CG2 4.37Å |
| 65 | K | 89.6 | Confident | 85.9 | Confident | 61 Ų | 61 | 88.5 Ų | 88.5 | 27% | 0.265 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 178.1 | -77.2 | -179.4 | 176.4 | -177.4 | 0 | 111.7 | L50 V61 E62 L63 N68 R69 L70 | L50-K65 HydrophobicContact CD1-CG 4.08Å; V61-K65 HydrophobicContact CG1-CD 4.14Å; V61-K65 HydrophobicContact CG1-CG 4.36Å; V61-K65 WeakPolarHBondContact O-CB 3.48Å; V61-K65 WeakPolarHBondContact O-CG 3.26Å; V61-K65 PolarHBondContact O-N 3.06Å; E62-K65 PolarHBondContact O-N 3.38Å; L63-K65 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 3.43Å; K65-N68 CarbonylContact O-C 3.46Å; K65-N68 PolarHBondContact O-N 2.86Å; K65-R69 WeakPolarHBondContact O-CA 3.44Å; K65-R69 PolarHBondContact O-N 3.09Å; K65-L70 HydrophobicContact CB-CB 4.36Å; K65-L70 HydrophobicContact CG-CB 4.22Å; K65-L70 PolarHBondContact O-N 3.38Å |
| 66 | R | 88.8 | Confident | 85.5 | Confident | 210 Ų | 210 | 82.2 Ų | 82.2 | 79% | 0.792 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 179.2 | -171.3 | 177.4 | -173.4 | 172.7 | 2.6 | 112.1 | E62 L63 N68 R69 | E62-R66 VanDerWaalsContact O-CB 3.29Å; E62-R66 WeakPolarHBondContact O-CB 2.99Å; E62-R66 PolarHBondContact O-N 3.03Å; L63-R66 PolarHBondContact O-N 2.75Å; R66-N68 VanDerWaalsContact C-N 3.28Å; R66-N68 PolarHBondContact O-N 3.49Å; R66-R69 PolarHBondContact O-N 3.2Å |
| 67 | A | 88 | Confident | 84.9 | Confident | 45 Ų | 45 | 82.2 Ų | 82.2 | 37% | 0.372 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L63 I64 P85 | L63-A67 VanDerWaalsContact O-CB 3.27Å; L63-A67 WeakPolarHBondContact O-CB 3.29Å; L63-A67 PolarHBondContact O-N 3.45Å; I64-A67 PolarHBondContact O-N 2.86Å; A67-P85 HydrophobicContact CB-CG 4.06Å |
| 68 | N | 89.9 | Confident | 84.4 | Confident | 12 Ų | 12 | 86.8 Ų | 86.8 | 6% | 0.064 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -97.1 | 4 | -178 | -67.9 | -77 | 0 | 0 | 0 | 114 | I64 K65 R66 L70 K79 L82 S83 | I64-N68 WeakPolarHBondContact O-CB 3.36Å; I64-N68 PolarHBondContact O-N 2.83Å; I64-N68 PolarHBondContact O-ND2 2.76Å; K65-N68 CarbonylContact O-C 3.46Å; K65-N68 PolarHBondContact O-N 2.86Å; R66-N68 VanDerWaalsContact C-N 3.28Å; R66-N68 PolarHBondContact O-N 3.49Å; N68-L70 HydrophobicContact CB-CD1 3.96Å; N68-L70 HydrophobicContact CB-CG 3.84Å; N68-L70 PolarHBondContact O-N 2.83Å; N68-K79 PolarHBondContact O-NZ 2.69Å; N68-L82 HydrophobicContact CB-CD2 4Å; N68-L82 WeakPolarHBondContact OD1-CA 3.32Å; N68-S83 PolarHBondContact ND2-N 3.44Å; N68-S83 PolarHBondContact ND2-O 3.44Å; N68-S83 PolarHBondContact OD1-N 2.76Å |
| 69 | R | 87.7 | Confident | 83.9 | Confident | 204 Ų | 204 | 87.1 Ų | 87.1 | 77% | 0.77 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 41.4 | -174.6 | -51.5 | 179.6 | -179.4 | -163.3 | -1 | 112.7 | K65 R66 | K65-R69 WeakPolarHBondContact O-CA 3.44Å; K65-R69 PolarHBondContact O-N 3.09Å; R66-R69 PolarHBondContact O-N 3.2Å |
| 70 | L | 85.5 | Confident | 83.6 | Confident | 13 Ų | 13 | 95.1 Ų | 95.1 | 7% | 0.068 | 46% | 0.456 | C | S | . | . | trans | -90.5 | 126.4 | 174.8 | -63.5 | 171.6 | 0 | 0 | 0 | 109 | L50 K65 N68 D74 I76 K79 L82 | L50-L70 HydrophobicContact CD2-CD1 4.3Å; K65-L70 HydrophobicContact CB-CB 4.36Å; K65-L70 HydrophobicContact CG-CB 4.22Å; K65-L70 PolarHBondContact O-N 3.38Å; N68-L70 HydrophobicContact CB-CD1 3.96Å; N68-L70 HydrophobicContact CB-CG 3.84Å; N68-L70 PolarHBondContact O-N 2.83Å; L70-D74 HydrophobicContact CB-CB 4.43Å; L70-D74 HydrophobicContact CD2-CB 3.97Å; L70-I76 HydrophobicContact CD1-CG2 3.99Å; L70-K79 HydrophobicContact CD2-CD 3.99Å; L70-L82 HydrophobicContact CD1-CD2 3.88Å | ||
| 71 | Y | 81.8 | Confident | 83.4 | Confident | 172 Ų | 172 | 93.5 Ų | 93.5 | 68% | 0.675 | 45% | 0.447 | S | S | * | . | trans | -88.9 | 173.8 | 173.2 | -62.2 | -78.1 | 0 | 0 | 0 | 111.2 | N73 D74 | Y71-N73 PolarHBondContact O-N 3.4Å; Y71-N73 VanDerWaalsContact O-N 3.07Å; Y71-D74 PolarHBondContact N-OD2 2.81Å; Y71-D74 PolarHBondContact O-N 3.14Å; Y71-D74 VanDerWaalsContact O-N 3.14Å | ||
| 72 | T | 73.4 | Confident | 83.4 | Confident | 122 Ų | 122 | 91.4 Ų | 91.4 | 75% | 0.748 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.4 | -172.7 | 34.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 73 | N | 71.1 | Confident | 83.4 | Confident | 148 Ų | 148 | 86.4 Ų | 86.4 | 79% | 0.791 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -2.1 | -176.5 | -61.6 | -48.5 | 0 | 0 | 0 | 114.2 | Y71 S75 | Y71-N73 PolarHBondContact O-N 3.4Å; Y71-N73 VanDerWaalsContact O-N 3.07Å; N73-S75 PolarHBondContact O-N 3.26Å |
| 74 | D | 75.6 | Confident | 83.5 | Confident | 72 Ų | 72 | 83.7 Ų | 83.7 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | trans | -77.3 | 118.3 | -174.2 | -66 | -23.6 | 0 | 0 | 0 | 110.3 | L70 Y71 I76 | L70-D74 HydrophobicContact CB-CB 4.43Å; L70-D74 HydrophobicContact CD2-CB 3.97Å; Y71-D74 PolarHBondContact N-OD2 2.81Å; Y71-D74 PolarHBondContact O-N 3.14Å; Y71-D74 VanDerWaalsContact O-N 3.14Å; D74-I76 PolarHBondContact O-N 3.07Å | ||
| 75 | S | 76.4 | Confident | 83.4 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | trans | -70.7 | 122.7 | 172.8 | -70.9 | 0 | 0 | 0 | 0 | 109.8 | N73 Y77 L78 | N73-S75 PolarHBondContact O-N 3.26Å; S75-Y77 PolarHBondContact O-N 2.86Å; S75-L78 WeakPolarHBondContact O-CB 3.29Å; S75-L78 VanDerWaalsContact O-CD1 3.26Å; S75-L78 WeakPolarHBondContact O-CD1 3.39Å; S75-L78 PolarHBondContact O-N 2.89Å | ||
| 76 | I | 81.7 | Confident | 83.3 | Confident | 12 Ų | 12 | 82.6 Ų | 82.6 | 6% | 0.062 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -54.5 | -26.4 | 177.2 | 45.9 | 172.7 | 0 | 0 | 0 | 114 | V44 E48 L50 L70 D74 L78 K79 L82 | V44-I76 HydrophobicContact CG1-CD1 4.43Å; E48-I76 WeakPolarHBondContact O-CD1 3.27Å; L50-I76 HydrophobicContact CD1-CG2 3.77Å; L50-I76 HydrophobicContact CD2-CG2 3.4Å; L50-I76 HydrophobicContact CG-CG2 3.32Å; L70-I76 HydrophobicContact CD1-CG2 3.99Å; D74-I76 PolarHBondContact O-N 3.07Å; I76-L78 PolarHBondContact O-N 2.62Å; I76-K79 PolarHBondContact O-N 3.36Å; I76-L82 HydrophobicContact CG2-CD1 4.12Å |
| 77 | Y | 78.6 | Confident | 83 | Confident | 128 Ų | 128 | 77 Ų | 77 | 50% | 0.502 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -66.2 | -13.8 | 178.2 | -51.7 | -63.3 | 0 | 0 | 0 | 113.5 | V44 E48 S75 K79 | V44-Y77 HydrophobicContact CG1-CD1 4.34Å; E48-Y77 PolarHBondContact O-OH 3.33Å; S75-Y77 PolarHBondContact O-N 2.86Å; Y77-K79 PolarHBondContact O-N 3.4Å |
| 78 | L | 76.9 | Confident | 82.2 | Confident | 143 Ų | 143 | 78.4 Ų | 78.4 | 75% | 0.749 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -70.8 | -20.9 | 171.7 | -82.4 | 76.6 | 0 | 0 | 0 | 111.8 | S75 I76 | S75-L78 WeakPolarHBondContact O-CB 3.29Å; S75-L78 VanDerWaalsContact O-CD1 3.26Å; S75-L78 WeakPolarHBondContact O-CD1 3.39Å; S75-L78 PolarHBondContact O-N 2.89Å; I76-L78 PolarHBondContact O-N 2.62Å |
| 79 | K | 79.3 | Confident | 81.2 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 34% | 0.339 | 40% | 0.404 | S | S | . | . | trans | -106.4 | 135.9 | 179.7 | -63.5 | -165.5 | 175.8 | -165.5 | 0 | 110.8 | N68 L70 I76 Y77 L82 | N68-K79 PolarHBondContact O-NZ 2.69Å; L70-K79 HydrophobicContact CD2-CD 3.99Å; I76-K79 PolarHBondContact O-N 3.36Å; Y77-K79 PolarHBondContact O-N 3.4Å; K79-L82 HydrophobicContact CB-CD2 4.29Å; K79-L82 HydrophobicContact CD-CD2 4.14Å | ||
| 80 | K | 81.8 | Confident | 80 | Confident | 185 Ų | 185 | 78.1 Ų | 78.1 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -73 | -36.3 | 175.3 | -63.8 | -178.6 | -179.7 | 178.4 | 0 | 111.5 | T43 V44 | T43-K80 WeakPolarHBondContact CA-O 3.49Å; T43-K80 WeakPolarHBondContact CG2-O 3.34Å; V44-K80 PolarHBondContact N-O 2.75Å |
| 81 | S | 88.6 | Confident | 78.5 | Confident | 39 Ų | 39 | 85.6 Ų | 85.6 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.1 | 178.7 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | E41 H42 | E41-S81 VanDerWaalsContact OE1-CB 3.23Å; E41-S81 WeakPolarHBondContact OE1-CB 3.23Å; E41-S81 PolarHBondContact OE1-OG 2.97Å; H42-S81 CarbonylContact O-C 3.5Å; H42-S81 VanDerWaalsContact O-CA 3.32Å; H42-S81 WeakPolarHBondContact O-CA 3.36Å |
| 82 | L | 89.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.4 | 175.7 | -65.5 | 176.1 | 0 | 0 | 0 | 110.1 | H42 V44 L50 L53 I64 N68 L70 I76 K79 | H42-L82 PolarHBondContact N-O 3.41Å; H42-L82 PolarHBondContact O-N 3.2Å; V44-L82 HydrophobicContact CG2-CB 4.48Å; V44-L82 HydrophobicContact CG2-CD1 3.58Å; V44-L82 HydrophobicContact CG2-CG 3.59Å; L50-L82 HydrophobicContact CD2-CD1 4.13Å; L53-L82 HydrophobicContact CD2-CD1 3.76Å; I64-L82 HydrophobicContact CG2-CD1 4.48Å; N68-L82 HydrophobicContact CB-CD2 4Å; N68-L82 WeakPolarHBondContact OD1-CA 3.32Å; L70-L82 HydrophobicContact CD1-CD2 3.88Å; I76-L82 HydrophobicContact CG2-CD1 4.12Å; K79-L82 HydrophobicContact CB-CD2 4.29Å; K79-L82 HydrophobicContact CD-CD2 4.14Å |
| 83 | S | 89.6 | Confident | 76.3 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 34% | 0.336 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 115.8 | 171.5 | -53.3 | 0 | 0 | 0 | 0 | 110 | N68 | N68-S83 PolarHBondContact ND2-N 3.44Å; N68-S83 PolarHBondContact ND2-O 3.44Å; N68-S83 PolarHBondContact OD1-N 2.76Å |
| 84 | I | 90.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 112.3 | -175.2 | -57.8 | -179.8 | 0 | 0 | 0 | 108.9 | L39 I40 H42 L53 Y57 V59 I64 V86 | L39-I84 WeakPolarHBondContact CA-O 3.47Å; I40-I84 PolarHBondContact N-O 3.04Å; I40-I84 PolarHBondContact O-N 2.9Å; H42-I84 HydrophobicContact CB-CD1 3.7Å; H42-I84 HydrophobicContact CB-CG1 4.48Å; L53-I84 HydrophobicContact CD2-CD1 4.25Å; Y57-I84 HydrophobicContact CD1-CG2 4.49Å; Y57-I84 HydrophobicContact CD2-CD1 3.34Å; Y57-I84 HydrophobicContact CD2-CG2 4.35Å; Y57-I84 HydrophobicContact CE2-CD1 3.45Å; Y57-I84 VanDerWaalsContact CE2-CD1 3.45Å; Y57-I84 HydrophobicContact CG-CD1 3.97Å; Y57-I84 HydrophobicContact CG-CG2 3.97Å; V59-I84 HydrophobicContact CG1-CG2 4.23Å; V59-I84 HydrophobicContact CG2-CG2 3.76Å; I64-I84 HydrophobicContact CG1-CG2 4.37Å; I84-V86 HydrophobicContact CG2-CG2 4.16Å; I84-V86 PolarHBondContact O-N 2.79Å |
| 85 | P | 88.3 | Confident | 74.3 | Confident | 9 Ų | 9 | 89.9 Ų | 89.9 | 6% | 0.058 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 99.6 | 177 | 30.3 | -32.5 | 0 | 0 | 0 | 110.5 | L39 V59 L63 A67 | L39-P85 HydrophobicContact CD2-CB 3.84Å; V59-P85 WeakPolarHBondContact CG1-O 3.17Å; L63-P85 HydrophobicContact CB-CG 4.28Å; A67-P85 HydrophobicContact CB-CG 4.06Å |
| 86 | V | 87.9 | Confident | 72.5 | Confident | 30 Ų | 30 | 89.9 Ų | 89.9 | 18% | 0.182 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.3 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | K38 I40 Y57 V59 I84 S88 | K38-V86 PolarHBondContact N-O 3.04Å; K38-V86 PolarHBondContact O-N 2.68Å; I40-V86 HydrophobicContact CD1-CB 4.24Å; I40-V86 HydrophobicContact CD1-CG2 3.53Å; I40-V86 HydrophobicContact CG1-CG2 3.94Å; Y57-V86 HydrophobicContact CD1-CG2 4.25Å; V59-V86 HydrophobicContact CG1-CG2 4.47Å; I84-V86 HydrophobicContact CG2-CG2 4.16Å; I84-V86 PolarHBondContact O-N 2.79Å; V86-S88 PolarHBondContact O-N 3.23Å |
| 87 | L | 82.5 | Confident | 70.9 | Confident | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 118.1 | 173 | -54.2 | -178 | 0 | 0 | 0 | 108 | Q37 D89 | Q37-L87 HydrophobicContact CG-CD2 3.65Å; Q37-L87 VanDerWaalsContact NE2-CD2 3.26Å; L87-D89 PolarHBondContact O-N 2.77Å |
| 88 | S | 71.1 | Confident | 68.9 | Low | 75 Ų | 75 | 96.6 Ų | 96.6 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | trans | -88.3 | 20.6 | -176.4 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | R36 V86 | R36-S88 PolarHBondContact O-N 3.37Å; R36-S88 VanDerWaalsContact O-N 3.15Å; V86-S88 PolarHBondContact O-N 3.23Å | ||
| 89 | D | 68.3 | Low | 67.5 | Low | 54 Ų | 54 | 94.8 Ų | 94.8 | 29% | 0.289 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -123.6 | 116.3 | -177.1 | -57.9 | -62 | 0 | 0 | 0 | 112.3 | R36 L87 | R36-D89 WeakPolarHBondContact CB-OD2 3.4Å; R36-D89 VanDerWaalsContact CD-OD1 3.29Å; R36-D89 WeakPolarHBondContact CD-OD1 3.19Å; R36-D89 WeakPolarHBondContact CD-OD2 3.5Å; R36-D89 WeakPolarHBondContact CG-OD2 3.44Å; R36-D89 IonicContact CZ-OD1 3.02Å; R36-D89 IonicContact NE-OD1 3.67Å; R36-D89 IonicContact NE-OD2 3.93Å; R36-D89 IonicContact NH1-OD1 3.37Å; R36-D89 PolarHBondContact NH1-OD1 2.94Å; R36-D89 IonicContact NH1-OD2 2.68Å; L87-D89 PolarHBondContact O-N 2.77Å |
| 90 | L | 61.9 | Low | 65.7 | Low | 157 Ų | 157 | 96.5 Ų | 96.5 | 82% | 0.822 | 56% | 0.559 | S | S | * | * | trans | 67 | 71.6 | 152.8 | -50.4 | 178.1 | 0 | 0 | 0 | 116.1 | D92 | L90-D92 VanDerWaalsContact C-N 3.3Š| ||
| 91 | N | 54.6 | Low | 63.9 | Low | 169 Ų | 169 | 96.6 Ų | 96.6 | 90% | 0.904 | 56% | 0.563 | S | S | * | * | trans | -92.9 | 22.8 | 162.6 | -132.5 | 35.7 | 0 | 0 | 0 | 113.2 | ||||
| 92 | D | 55.2 | Low | 61.6 | Low | 145 Ų | 145 | 103.7 Ų | 103.7 | 78% | 0.775 | 59% | 0.592 | S | S | * | * | trans | -109.9 | 35.9 | -178.3 | -82.6 | -38.3 | 0 | 0 | 0 | 113.9 | L90 | L90-D92 VanDerWaalsContact C-N 3.3Š| ||
| 93 | H | 53.7 | Low | 59.1 | Low | 188 Ų | 188 | 110 Ų | 110 | 87% | 0.87 | 63% | 0.625 | S | S | * | * | trans | -140.6 | 91.6 | 161.1 | -74.4 | -57.4 | 0 | 0 | 0 | 111.5 | ||||
| 94 | S | 54.7 | Low | 56.9 | Low | 105 Ų | 105 | 116.6 Ų | 116.6 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | trans | -71.1 | 153.8 | 158.9 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 95 | N | 49.4 | Very low | 54.4 | Low | 166 Ų | 166 | 124.9 Ų | 124.9 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | trans | 94.3 | 118.6 | 178.5 | -62.8 | -1.9 | 0 | 0 | 0 | 112.9 | ||||
| 96 | G | 39.9 | Very low | 51.9 | Low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | cis | 142.8 | 133 | 8.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 97 | V | 46.4 | Very low | 49.3 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | 65.8 | 138.1 | 163.8 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 98 | D | 37.6 | Very low | 47.3 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | cis | -158.8 | 160.4 | 33.2 | -152.7 | -9.8 | 0 | 0 | 0 | 109.8 | ||||
| 99 | S | 46.8 | Very low | 45.4 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -86.2 | 130 | 163.4 | -57.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 100 | S | 41.7 | Very low | 44 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 178.4 | 128.9 | 138.8 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 101 | E | 45.1 | Very low | 42.6 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -51.9 | 142.7 | 162.3 | -57.2 | 160.9 | 167.7 | 0 | 0 | 111.1 | ||||
| 102 | E | 40.3 | Very low | 41.6 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -152 | 124.2 | 136.3 | -74.3 | -154.7 | 162.8 | 0 | 0 | 110.4 | ||||
| 103 | D | 35 | Very low | 40.9 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -78.3 | 137.5 | 167 | 174.1 | 21.7 | 0 | 0 | 0 | 109.1 | ||||
| 104 | H | 45.2 | Very low | 40.1 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -167 | 132.8 | 145.8 | -95.6 | -57.2 | 0 | 0 | 0 | 112.4 | ||||
| 105 | K | 37.6 | Very low | 39.6 | Very low | 174 Ų | 174 | 142 Ų | 142 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -69.9 | 156.3 | -172.5 | -80.7 | 180 | 171.2 | -177.7 | 0 | 117.7 | ||||
| 106 | E | 35.8 | Very low | 39.2 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | 33.4 | 129.6 | 138.3 | -62.4 | 179.8 | 147 | 0 | 0 | 121.9 | ||||
| 107 | G | 32.3 | Very low | 39.5 | Very low | 80 Ų | 80 | 152.7 Ų | 152.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 171.8 | 112.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 108 | K | 40.8 | Very low | 39.4 | Very low | 213 Ų | 213 | 154 Ų | 154 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -64.9 | 145.1 | 174.8 | -74.7 | 168.7 | 170.4 | 172.1 | 0 | 112.9 | ||||
| 109 | A | 31.8 | Very low | 40.2 | Very low | 99 Ų | 99 | 152.5 Ų | 152.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -162.1 | 139 | 138.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 110 | N | 39.1 | Very low | 40 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -57.9 | 154 | 177 | -64 | -15.5 | 0 | 0 | 0 | 112.9 | ||||
| 111 | C | 31.1 | Very low | 40.7 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -134.9 | 105.7 | 143.3 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 112 | D | 33.8 | Very low | 40.9 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -83.3 | 147.3 | 163 | -74.7 | -57.9 | 0 | 0 | 0 | 109.3 | ||||
| 113 | T | 40 | Very low | 42.1 | Very low | 115 Ų | 115 | 146 Ų | 146 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 74.6 | 122 | 159.3 | -19.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 114 | E | 37.1 | Very low | 44.4 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | -157.3 | 150.1 | 69.6 | -78 | -65.9 | 155.4 | 0 | 0 | 114.6 | |||||
| 115 | D | 45.2 | Very low | 46 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | -22.9 | 112.4 | 163.7 | -171.3 | 28.2 | 0 | 0 | 0 | 116.8 | ||||
| 116 | Y | 41.3 | Very low | 48.3 | Very low | 228 Ų | 228 | 132.9 Ų | 132.9 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | trans | -137.5 | 112.5 | 148.7 | -74.1 | -80.3 | 0 | 0 | 0 | 109.5 | ||||
| 117 | R | 46.4 | Very low | 50.6 | Low | 226 Ų | 226 | 127.3 Ų | 127.3 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -75.5 | 121.2 | 167.7 | -165.5 | 167 | -166.6 | 143.6 | 0.1 | 108.7 | ||||
| 118 | E | 43.3 | Very low | 53.1 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | trans | 174.4 | 153.6 | 136.7 | -91.4 | -66.9 | 113.1 | 0 | 0 | 110.6 | ||||
| 119 | P | 54.7 | Low | 55.4 | Low | 107 Ų | 107 | 123.8 Ų | 123.8 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | trans | -98.2 | 119.8 | -153.6 | 36.3 | -30.4 | 0 | 0 | 0 | 112.7 | ||||
| 120 | A | 42.8 | Very low | 58.1 | Low | 79 Ų | 79 | 125 Ų | 125 | 65% | 0.653 | 67% | 0.667 | S | S | * | * | trans | -157.8 | 117.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | D122 | A120-D122 PolarHBondContact O-N 3.47Š| ||
| 121 | S | 56.4 | Low | 60.4 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | trans | -71.3 | 67.9 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | L123 | S121-L123 VanDerWaalsContact C-N 3.34Å; S121-L123 PolarHBondContact O-N 2.95Å | ||
| 122 | D | 50.1 | Low | 63.3 | Low | 145 Ų | 145 | 124.2 Ų | 124.2 | 78% | 0.775 | 64% | 0.64 | S | S | * | * | trans | -80.7 | 93.1 | 160.9 | -73.6 | -26 | 0 | 0 | 0 | 106.2 | A120 T124 | A120-D122 PolarHBondContact O-N 3.47Å; D122-T124 PolarHBondContact O-N 3Å | ||
| 123 | L | 64.8 | Low | 66.1 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 63% | 0.628 | 63% | 0.63 | S | S | * | * | trans | -54.4 | 107.2 | 178.7 | -64.3 | 169.4 | 0 | 0 | 0 | 108.3 | S121 | S121-L123 VanDerWaalsContact C-N 3.34Å; S121-L123 PolarHBondContact O-N 2.95Å | ||
| 124 | T | 82.3 | Confident | 68.6 | Low | 85 Ų | 85 | 121.4 Ų | 121.4 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | trans | -55.2 | 140.6 | 172.9 | -74.2 | 0 | 0 | 0 | 0 | 107.4 | D122 G126 D127 F128 | D122-T124 PolarHBondContact O-N 3Å; T124-G126 PolarHBondContact O-N 3.26Å; T124-D127 WeakPolarHBondContact O-CB 3.45Å; T124-D127 PolarHBondContact O-N 3.28Å; T124-F128 PolarHBondContact O-N 2.88Å | ||
| 125 | P | 80 | Confident | 71.1 | Confident | 104 Ų | 104 | 117.1 Ų | 117.1 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -49.4 | -32.8 | 179.3 | -30.9 | 35.8 | 0 | 0 | 0 | 113.5 | D127 F128 L129 | P125-D127 PolarHBondContact O-N 3.41Å; P125-F128 PolarHBondContact O-N 3.08Å; P125-L129 WeakPolarHBondContact O-CG 3.4Å; P125-L129 PolarHBondContact O-N 3.31Å |
| 126 | G | 84.5 | Confident | 73.3 | Confident | 28 Ų | 28 | 115.9 Ų | 115.9 | 29% | 0.289 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.4 | -35 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T124 L129 K130 | T124-G126 PolarHBondContact O-N 3.26Å; G126-L129 PolarHBondContact O-N 3.5Å; G126-K130 WeakPolarHBondContact O-CB 3.45Å; G126-K130 WeakPolarHBondContact O-CG 3.44Å; G126-K130 PolarHBondContact O-N 3.42Å |
| 127 | D | 85.1 | Confident | 75.7 | Confident | 66 Ų | 66 | 107.8 Ų | 107.8 | 35% | 0.353 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.7 | -31.7 | -179.7 | -61.7 | -32.8 | 0 | 0 | 0 | 112.3 | T124 P125 K130 R131 | T124-D127 WeakPolarHBondContact O-CB 3.45Å; T124-D127 PolarHBondContact O-N 3.28Å; P125-D127 PolarHBondContact O-N 3.41Å; D127-K130 IonicContact OD1-NZ 3.37Å; D127-K130 PolarHBondContact OD1-NZ 3.34Å; D127-R131 WeakPolarHBondContact O-CB 3.2Å; D127-R131 PolarHBondContact O-N 3.1Å |
| 128 | F | 85.5 | Confident | 77.8 | Confident | 119 Ų | 119 | 103.5 Ų | 103.5 | 52% | 0.522 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.1 | -45.3 | 170.3 | 178.6 | -98.9 | 0 | 0 | 0 | 111.5 | T124 P125 R131 L132 | T124-F128 PolarHBondContact O-N 2.88Å; P125-F128 PolarHBondContact O-N 3.08Å; F128-R131 PolarHBondContact O-N 3Å; F128-L132 HydrophobicContact CD1-CD1 3.99Å; F128-L132 HydrophobicContact CE1-CD1 3.36Å; F128-L132 HydrophobicContact CE1-CG 4.12Å; F128-L132 HydrophobicContact CZ-CD1 3.79Å; F128-L132 HydrophobicContact CZ-CG 4.21Å; F128-L132 PolarHBondContact O-N 3.13Å |
| 129 | L | 88.8 | Confident | 80.1 | Confident | 100 Ų | 100 | 99 Ų | 99 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -45.7 | 176.8 | -66.8 | 176.5 | 0 | 0 | 0 | 111.5 | P125 G126 R131 L132 D133 | P125-L129 WeakPolarHBondContact O-CG 3.4Å; P125-L129 PolarHBondContact O-N 3.31Å; G126-L129 PolarHBondContact O-N 3.5Å; L129-R131 VanDerWaalsContact C-N 3.28Å; L129-R131 PolarHBondContact O-N 2.74Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 2.86Å; L129-L132 VanDerWaalsContact O-N 3.08Å; L129-D133 PolarHBondContact O-N 3.04Å |
| 130 | K | 87.6 | Confident | 81.8 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 55% | 0.548 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.8 | -42 | 173.9 | -74.2 | 168.9 | -169.5 | 168 | 0 | 112 | G126 D127 L132 D133 N134 | G126-K130 WeakPolarHBondContact O-CB 3.45Å; G126-K130 WeakPolarHBondContact O-CG 3.44Å; G126-K130 PolarHBondContact O-N 3.42Å; D127-K130 IonicContact OD1-NZ 3.37Å; D127-K130 PolarHBondContact OD1-NZ 3.34Å; K130-L132 VanDerWaalsContact C-N 3.35Å; K130-L132 PolarHBondContact O-N 2.95Å; K130-D133 PolarHBondContact O-N 3.26Å; K130-N134 WeakPolarHBondContact O-CB 3.35Å; K130-N134 PolarHBondContact O-N 3.07Å; K130-N134 PolarHBondContact O-ND2 2.96Å |
| 131 | R | 87.4 | Confident | 83.9 | Confident | 187 Ų | 187 | 102.7 Ų | 102.7 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | 177.1 | -174.6 | 177.9 | 177.9 | -178.6 | 1.3 | 112.1 | D127 F128 L129 S135 | D127-R131 WeakPolarHBondContact O-CB 3.2Å; D127-R131 PolarHBondContact O-N 3.1Å; F128-R131 PolarHBondContact O-N 3Å; L129-R131 VanDerWaalsContact C-N 3.28Å; L129-R131 PolarHBondContact O-N 2.74Å; R131-S135 PolarHBondContact O-N 3.34Å; R131-S135 VanDerWaalsContact O-N 3.1Å |
| 132 | L | 92.4 | Very high | 85 | Confident | 73 Ų | 73 | 100.3 Ų | 100.3 | 38% | 0.382 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.4 | -79.1 | 177.4 | 0 | 0 | 0 | 111.5 | F128 L129 K130 N134 S135 I136 | F128-L132 HydrophobicContact CD1-CD1 3.99Å; F128-L132 HydrophobicContact CE1-CD1 3.36Å; F128-L132 HydrophobicContact CE1-CG 4.12Å; F128-L132 HydrophobicContact CZ-CD1 3.79Å; F128-L132 HydrophobicContact CZ-CG 4.21Å; F128-L132 PolarHBondContact O-N 3.13Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 2.86Å; L129-L132 VanDerWaalsContact O-N 3.08Å; K130-L132 VanDerWaalsContact C-N 3.35Å; K130-L132 PolarHBondContact O-N 2.95Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.18Å; L132-S135 WeakPolarHBondContact O-CA 3.29Å; L132-S135 WeakPolarHBondContact O-CB 3.33Å; L132-S135 PolarHBondContact O-N 2.89Å; L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 3.41Å |
| 133 | D | 91.7 | Very high | 86.7 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 179.7 | -72.7 | -19.4 | 0 | 0 | 0 | 111.6 | L129 K130 I136 S137 | L129-D133 PolarHBondContact O-N 3.04Å; K130-D133 PolarHBondContact O-N 3.26Å; D133-I136 PolarHBondContact O-N 2.69Å; D133-S137 VanDerWaalsContact O-CB 3.29Å; D133-S137 WeakPolarHBondContact O-CB 3.3Å; D133-S137 PolarHBondContact O-N 3.02Å; D133-S137 PolarHBondContact O-OG 3.25Å |
| 134 | N | 92.4 | Very high | 87.5 | Confident | 97 Ų | 97 | 92.8 Ų | 92.8 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 173.6 | -71.4 | -18.5 | 0 | 0 | 0 | 111.8 | K130 L132 S137 Q138 | K130-N134 WeakPolarHBondContact O-CB 3.35Å; K130-N134 PolarHBondContact O-N 3.07Å; K130-N134 PolarHBondContact O-ND2 2.96Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.18Å; N134-S137 PolarHBondContact O-N 2.92Å; N134-Q138 VanDerWaalsContact O-CG 3.3Å; N134-Q138 WeakPolarHBondContact O-CG 3.38Å; N134-Q138 PolarHBondContact O-N 3.24Å |
| 135 | S | 90.1 | Very high | 87.2 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 176.2 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | R131 L132 S139 | R131-S135 PolarHBondContact O-N 3.34Å; R131-S135 VanDerWaalsContact O-N 3.1Å; L132-S135 WeakPolarHBondContact O-CA 3.29Å; L132-S135 WeakPolarHBondContact O-CB 3.33Å; L132-S135 PolarHBondContact O-N 2.89Å; S135-S139 PolarHBondContact O-N 2.76Å; S135-S139 PolarHBondContact O-OG 3.45Å |
| 136 | I | 91.5 | Very high | 86.7 | Confident | 104 Ų | 104 | 93.2 Ų | 93.2 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 176.7 | -67 | 164.7 | 0 | 0 | 0 | 109.7 | L132 D133 S139 K140 | L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 3.41Å; D133-I136 PolarHBondContact O-N 2.69Å; I136-S139 PolarHBondContact O-N 3.02Å; I136-K140 WeakPolarHBondContact O-CB 3.47Å; I136-K140 PolarHBondContact O-N 2.87Å |
| 137 | S | 92.7 | Very high | 85.7 | Confident | 57 Ų | 57 | 96.2 Ų | 96.2 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | -179.9 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | D133 N134 S139 K140 E141 | D133-S137 VanDerWaalsContact O-CB 3.29Å; D133-S137 WeakPolarHBondContact O-CB 3.3Å; D133-S137 PolarHBondContact O-N 3.02Å; D133-S137 PolarHBondContact O-OG 3.25Å; N134-S137 PolarHBondContact O-N 2.92Å; S137-S139 VanDerWaalsContact C-N 3.32Å; S137-S139 PolarHBondContact O-N 3.24Å; S137-K140 WeakPolarHBondContact O-CB 3.42Å; S137-K140 PolarHBondContact O-N 3.4Å; S137-E141 PolarHBondContact O-N 2.93Å |
| 138 | Q | 90.1 | Very high | 84.8 | Confident | 136 Ų | 136 | 99.6 Ų | 99.6 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 175.4 | -73 | 174.7 | 7.5 | 0 | 0 | 112.4 | N134 E141 A142 | N134-Q138 VanDerWaalsContact O-CG 3.3Å; N134-Q138 WeakPolarHBondContact O-CG 3.38Å; N134-Q138 PolarHBondContact O-N 3.24Å; Q138-E141 PolarHBondContact O-N 2.86Å; Q138-A142 WeakPolarHBondContact O-CB 3.45Å; Q138-A142 PolarHBondContact O-N 3.09Å |
| 139 | S | 90.9 | Very high | 83.6 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 178 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | S135 I136 S137 A142 A143 | S135-S139 PolarHBondContact O-N 2.76Å; S135-S139 PolarHBondContact O-OG 3.45Å; I136-S139 PolarHBondContact O-N 3.02Å; S137-S139 VanDerWaalsContact C-N 3.32Å; S137-S139 PolarHBondContact O-N 3.24Å; S139-A142 PolarHBondContact O-N 3.04Å; S139-A143 PolarHBondContact O-N 3.13Å; S139-A143 VanDerWaalsContact O-N 3.11Å |
| 140 | K | 91.3 | Very high | 82 | Confident | 162 Ų | 162 | 96.5 Ų | 96.5 | 70% | 0.704 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 175.7 | -177 | -179.4 | 179.4 | -178.6 | 0 | 111.7 | I136 S137 A143 A144 | I136-K140 WeakPolarHBondContact O-CB 3.47Å; I136-K140 PolarHBondContact O-N 2.87Å; S137-K140 WeakPolarHBondContact O-CB 3.42Å; S137-K140 PolarHBondContact O-N 3.4Å; K140-A143 PolarHBondContact O-N 3.23Å; K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 3.45Å |
| 141 | E | 85.7 | Confident | 80.5 | Confident | 103 Ų | 103 | 97.7 Ų | 97.7 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 177.1 | -77.7 | -172.9 | -152.3 | 0 | 0 | 112.6 | S137 Q138 A143 A144 R145 | S137-E141 PolarHBondContact O-N 2.93Å; Q138-E141 PolarHBondContact O-N 2.86Å; E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 2.98Å; E141-A144 PolarHBondContact O-N 3.49Å; E141-R145 VanDerWaalsContact O-CG 3.31Å; E141-R145 WeakPolarHBondContact O-CG 3.39Å; E141-R145 PolarHBondContact O-N 3.11Å; E141-R145 IonicContact OE2-CZ 3.95Å; E141-R145 IonicContact OE2-NH2 3.53Å; E141-R145 PolarHBondContact OE2-NH2 3.42Å |
| 142 | A | 81.2 | Confident | 79.1 | Confident | 63 Ų | 63 | 96 Ų | 96 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q138 S139 R145 G146 | Q138-A142 WeakPolarHBondContact O-CB 3.45Å; Q138-A142 PolarHBondContact O-N 3.09Å; S139-A142 PolarHBondContact O-N 3.04Å; A142-R145 PolarHBondContact O-N 3.22Å; A142-G146 PolarHBondContact O-N 3.44Å; A142-G146 VanDerWaalsContact O-N 3.07Å |
| 143 | A | 83.9 | Confident | 77.2 | Confident | 62 Ų | 62 | 102.8 Ų | 102.8 | 51% | 0.512 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S139 K140 E141 R145 G146 C147 | S139-A143 PolarHBondContact O-N 3.13Å; S139-A143 VanDerWaalsContact O-N 3.11Å; K140-A143 PolarHBondContact O-N 3.23Å; E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 2.98Å; A143-R145 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 3.07Å; A143-G146 PolarHBondContact O-N 3.01Å; A143-C147 PolarHBondContact O-N 3.4Å; A143-C147 PolarHBondContact O-SG 3.16Å |
| 144 | A | 81.9 | Confident | 75.2 | Confident | 45 Ų | 45 | 107.7 Ų | 107.7 | 37% | 0.372 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K140 E141 C147 K148 | K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 3.45Å; E141-A144 PolarHBondContact O-N 3.49Å; A144-C147 PolarHBondContact O-N 3.48Å; A144-K148 WeakPolarHBondContact O-CG 3.39Å; A144-K148 PolarHBondContact O-N 3.5Å; A144-K148 VanDerWaalsContact O-N 3.13Å |
| 145 | R | 75.9 | Confident | 73.2 | Confident | 155 Ų | 155 | 111.7 Ų | 111.7 | 59% | 0.585 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -43.6 | 173.5 | -70.2 | 176.4 | -164.3 | -171.3 | 7.7 | 111.1 | E141 A142 A143 C147 K148 D149 | E141-R145 VanDerWaalsContact O-CG 3.31Å; E141-R145 WeakPolarHBondContact O-CG 3.39Å; E141-R145 PolarHBondContact O-N 3.11Å; E141-R145 IonicContact OE2-CZ 3.95Å; E141-R145 IonicContact OE2-NH2 3.53Å; E141-R145 PolarHBondContact OE2-NH2 3.42Å; A142-R145 PolarHBondContact O-N 3.22Å; A143-R145 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 3.07Å; R145-C147 VanDerWaalsContact C-N 3.33Å; R145-C147 PolarHBondContact O-N 2.9Å; R145-K148 PolarHBondContact O-N 3.22Å; R145-K148 VanDerWaalsContact O-N 3.16Å; R145-D149 PolarHBondContact O-N 3.38Å |
| 146 | G | 70.6 | Confident | 71.2 | Confident | 43 Ų | 43 | 119.3 Ų | 119.3 | 44% | 0.443 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.1 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A142 A143 A150 | A142-G146 PolarHBondContact O-N 3.44Å; A142-G146 VanDerWaalsContact O-N 3.07Å; A143-G146 PolarHBondContact O-N 3.01Å; G146-A150 WeakPolarHBondContact O-CB 3.49Å; G146-A150 PolarHBondContact O-N 3.42Å |
| 147 | C | 63.9 | Low | 69.2 | Low | 92 Ų | 92 | 120.8 Ų | 120.8 | 62% | 0.622 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65 | -42.3 | 174.1 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | A143 A144 R145 A150 E151 | A143-C147 PolarHBondContact O-N 3.4Å; A143-C147 PolarHBondContact O-SG 3.16Å; A144-C147 PolarHBondContact O-N 3.48Å; R145-C147 VanDerWaalsContact C-N 3.33Å; R145-C147 PolarHBondContact O-N 2.9Å; C147-A150 PolarHBondContact O-N 3.24Å; C147-E151 PolarHBondContact O-N 3.4Å |
| 148 | K | 65.5 | Low | 67 | Low | 136 Ų | 136 | 123.1 Ų | 123.1 | 59% | 0.591 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.6 | -33.5 | 178 | -70.5 | 175.7 | -179.8 | -177.3 | 0 | 112.9 | A144 R145 E151 K152 | A144-K148 WeakPolarHBondContact O-CG 3.39Å; A144-K148 PolarHBondContact O-N 3.5Å; A144-K148 VanDerWaalsContact O-N 3.13Å; R145-K148 PolarHBondContact O-N 3.22Å; R145-K148 VanDerWaalsContact O-N 3.16Å; K148-E151 PolarHBondContact O-N 3.39Å; K148-K152 PolarHBondContact O-N 3.05Å |
| 149 | D | 59.5 | Low | 65.3 | Low | 99 Ų | 99 | 128.3 Ų | 128.3 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.5 | -30.3 | 176.3 | -75.1 | -18.1 | 0 | 0 | 0 | 112.4 | R145 E151 R153 | R145-D149 PolarHBondContact O-N 3.38Å; D149-E151 VanDerWaalsContact C-N 3.31Å; D149-R153 PolarHBondContact O-N 3.32Å |
| 150 | A | 56.3 | Low | 63.4 | Low | 56 Ų | 56 | 130.7 Ų | 130.7 | 46% | 0.463 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.9 | -34.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G146 C147 R153 | G146-A150 WeakPolarHBondContact O-CB 3.49Å; G146-A150 PolarHBondContact O-N 3.42Å; C147-A150 PolarHBondContact O-N 3.24Å; A150-R153 PolarHBondContact O-N 3.37Å |
| 151 | E | 56.2 | Low | 61.3 | Low | 151 Ų | 151 | 134.1 Ų | 134.1 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70 | -38.9 | 178 | -157 | 171.9 | -165.3 | 0 | 0 | 112.1 | C147 K148 D149 R153 Y154 | C147-E151 PolarHBondContact O-N 3.4Å; K148-E151 PolarHBondContact O-N 3.39Å; D149-E151 VanDerWaalsContact C-N 3.31Å; E151-R153 VanDerWaalsContact C-N 3.25Å; E151-R153 PolarHBondContact O-N 3.33Å; E151-Y154 PolarHBondContact O-N 3.36Å |
| 152 | K | 57 | Low | 59.3 | Low | 150 Ų | 150 | 133.7 Ų | 133.7 | 65% | 0.652 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.9 | -18.6 | 174.6 | -68.9 | 178.2 | -176.7 | 175.1 | 0 | 113.9 | K148 Y154 | K148-K152 PolarHBondContact O-N 3.05Å; K152-Y154 VanDerWaalsContact C-N 3.27Å; K152-Y154 PolarHBondContact O-N 3.44Å |
| 153 | R | 52.3 | Low | 57.9 | Low | 216 Ų | 216 | 137.5 Ų | 137.5 | 82% | 0.815 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -8.7 | 177.3 | -111.7 | 175 | 178.3 | -157.5 | -1.2 | 114.2 | D149 A150 E151 | D149-R153 PolarHBondContact O-N 3.32Å; A150-R153 PolarHBondContact O-N 3.37Å; E151-R153 VanDerWaalsContact C-N 3.25Å; E151-R153 PolarHBondContact O-N 3.33Å |
| 154 | Y | 49.8 | Very low | 55.9 | Low | 196 Ų | 196 | 140.2 Ų | 140.2 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 6.6 | 173.9 | -90.8 | -86.2 | 0 | 0 | 0 | 114.8 | E151 K152 | E151-Y154 PolarHBondContact O-N 3.36Å; K152-Y154 VanDerWaalsContact C-N 3.27Å; K152-Y154 PolarHBondContact O-N 3.44Å |
| 155 | F | 51 | Low | 54.3 | Low | 182 Ų | 182 | 144 Ų | 144 | 80% | 0.798 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -103 | -4.7 | 176.7 | -162.1 | -100.4 | 0 | 0 | 0 | 114.7 | ||
| 156 | W | 49 | Very low | 52.6 | Low | 222 Ų | 222 | 143.6 Ų | 143.6 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -117.9 | 22.8 | -178.5 | -78.4 | 91.2 | 0 | 0 | 0 | 114.7 | P158 | W156-P158 WeakPolarHBondContact O-CD 3.1Š| ||
| 157 | L | 48.5 | Very low | 51.3 | Low | 134 Ų | 134 | 150.3 Ų | 150.3 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -80.1 | 108.2 | 157.3 | -73.1 | 172.1 | 0 | 0 | 0 | 107.2 | R159 | L157-R159 PolarHBondContact O-N 3.14Š|
| 158 | P | 47.5 | Very low | 49.8 | Very low | 106 Ų | 106 | 152 Ų | 152 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | trans | -56.8 | 120.3 | 167.3 | 23 | -30.4 | 0 | 0 | 0 | 107.4 | W156 L160 | W156-P158 WeakPolarHBondContact O-CD 3.1Å; P158-L160 PolarHBondContact O-N 3.24Å | ||
| 159 | R | 53.9 | Low | 48.7 | Very low | 245 Ų | 245 | 151 Ų | 151 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | -63.8 | 72.5 | 175.3 | -172.1 | -175.6 | -176.4 | 131.4 | -1.8 | 109.6 | L157 | L157-R159 PolarHBondContact O-N 3.14Š| ||
| 160 | L | 50.6 | Low | 47.4 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | -135.8 | 63.7 | 174.9 | -65.4 | 173.6 | 0 | 0 | 0 | 109.6 | P158 T162 | P158-L160 PolarHBondContact O-N 3.24Å; L160-T162 HydrophobicContact CB-CG2 4.37Å; L160-T162 HydrophobicContact CD2-CG2 3.6Å; L160-T162 PolarHBondContact O-N 3.02Å | ||
| 161 | Y | 48.2 | Very low | 46.6 | Very low | 235 Ų | 235 | 157.5 Ų | 157.5 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | trans | -83 | 63 | 146.6 | -153.5 | -95.4 | 0 | 0 | 0 | 107.5 | I163 | Y161-I163 PolarHBondContact O-N 3.1Å; Y161-I163 VanDerWaalsContact O-N 3.14Å | ||
| 162 | T | 41.9 | Very low | 45.8 | Very low | 93 Ų | 93 | 156.2 Ų | 156.2 | 57% | 0.571 | 75% | 0.753 | S | S | * | * | trans | -72.6 | 100.7 | 169.2 | 44.7 | 0 | 0 | 0 | 0 | 107.3 | L160 T164 | L160-T162 HydrophobicContact CB-CG2 4.37Å; L160-T162 HydrophobicContact CD2-CG2 3.6Å; L160-T162 PolarHBondContact O-N 3.02Å; T162-T164 PolarHBondContact O-N 3.31Å | ||
| 163 | I | 52 | Low | 45.3 | Very low | 144 Ų | 144 | 157.9 Ų | 157.9 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 5.3 | 90.2 | 143.1 | -60.7 | 164.7 | 0 | 0 | 0 | 112.7 | Y161 V165 | Y161-I163 PolarHBondContact O-N 3.1Å; Y161-I163 VanDerWaalsContact O-N 3.14Å; I163-V165 HydrophobicContact CG2-CG2 3.6Å; I163-V165 PolarHBondContact O-N 3.22Å | ||
| 164 | T | 42.8 | Very low | 44.9 | Very low | 119 Ų | 119 | 154.5 Ų | 154.5 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | trans | -91 | 83.9 | 161.4 | 50.5 | 0 | 0 | 0 | 0 | 108 | T162 L166 | T162-T164 PolarHBondContact O-N 3.31Å; T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 PolarHBondContact O-N 2.76Å; T164-L166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | V | 47.2 | Very low | 44.5 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -68.8 | 93.7 | 155.7 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | I163 | I163-V165 HydrophobicContact CG2-CG2 3.6Å; I163-V165 PolarHBondContact O-N 3.22Å | ||
| 166 | L | 41.5 | Very low | 43.8 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -131.6 | 84.6 | 169.3 | -85.1 | 161.8 | 0 | 0 | 0 | 106.2 | T164 | T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 PolarHBondContact O-N 2.76Å; T164-L166 VanDerWaalsContact O-N 3.1Å | ||
| 167 | K | 43.4 | Very low | 43.6 | Very low | 185 Ų | 185 | 149 Ų | 149 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 66.2 | 83.1 | 92.7 | -160.4 | 102.8 | 179.3 | -175.3 | 0 | 112.3 | |||||
| 168 | C | 30.9 | Very low | 43.2 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 86% | 0.858 | 77% | 0.768 | S | S | * | * | trans | -129.9 | 111.1 | 158.4 | -74.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 169 | P | 43.4 | Very low | 43 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -82.7 | 130.6 | 171.4 | 32.4 | -26.7 | 0 | 0 | 0 | 109.7 | ||||
| 170 | H | 32.2 | Very low | 42.3 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | 75.3 | 124.7 | 147.2 | -139.5 | -109.7 | 0 | 0 | 0 | 118.6 | ||||
| 171 | L | 38.6 | Very low | 41.7 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | trans | 71.6 | 136.2 | 157.4 | -72.6 | 163.9 | 0 | 0 | 0 | 115.8 | ||||
| 172 | L | 40.1 | Very low | 41.9 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | cis | -157.7 | 142.8 | 17.7 | -97.9 | 141.3 | 0 | 0 | 0 | 109.4 | ||||
| 173 | K | 46.4 | Very low | 41.9 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 77% | 0.77 | S | S | * | * | trans | 16.7 | 109.5 | 143.9 | -63.6 | 171 | -178 | 175.3 | 0 | 116.4 | ||||
| 174 | T | 43.4 | Very low | 41.5 | Very low | 144 Ų | 144 | 148 Ų | 148 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | -175.8 | 141.8 | 128 | 31.7 | 0 | 0 | 0 | 0 | 109.5 | F176 | T174-F176 PolarHBondContact O-N 3.14Š| |||
| 175 | N | 42.7 | Very low | 41.3 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -61.1 | 120 | -179 | -71.3 | -60.8 | 0 | 0 | 0 | 111 | ||||
| 176 | F | 36.2 | Very low | 40.9 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -126.6 | 108.3 | 153.4 | -134.3 | -93 | 0 | 0 | 0 | 109.4 | T174 L178 | T174-F176 PolarHBondContact O-N 3.14Å; F176-L178 PolarHBondContact O-N 3.26Å | ||
| 177 | I | 43.8 | Very low | 40.9 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | trans | -65.3 | 110.8 | 171 | -66.4 | 168.4 | 0 | 0 | 0 | 106.7 | I179 | I177-I179 HydrophobicContact CG2-CB 4.5Å; I177-I179 HydrophobicContact CG2-CD1 3.48Å; I177-I179 VanDerWaalsContact CG2-CD1 3.48Å; I177-I179 HydrophobicContact CG2-CG1 3.55Å | ||
| 178 | L | 40.2 | Very low | 40.8 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -112.9 | 86.9 | 157.1 | -153.6 | 78.6 | 0 | 0 | 0 | 108.5 | F176 S180 | F176-L178 PolarHBondContact O-N 3.26Å; L178-S180 PolarHBondContact O-N 3.22Å | ||
| 179 | I | 43.8 | Very low | 41.1 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | -66.2 | 109.2 | 162.1 | -65.1 | 153.6 | 0 | 0 | 0 | 106.3 | I177 | I177-I179 HydrophobicContact CG2-CB 4.5Å; I177-I179 HydrophobicContact CG2-CD1 3.48Å; I177-I179 VanDerWaalsContact CG2-CD1 3.48Å; I177-I179 HydrophobicContact CG2-CG1 3.55Å | ||
| 180 | S | 38.3 | Very low | 41.8 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -133.2 | 88.5 | 142.3 | -150 | 0 | 0 | 0 | 0 | 107.4 | L178 K182 | L178-S180 PolarHBondContact O-N 3.22Å; S180-K182 PolarHBondContact O-N 3.33Å | ||
| 181 | S | 38.8 | Very low | 42.2 | Very low | 90 Ų | 90 | 149.7 Ų | 149.7 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -56.2 | 119.5 | -176 | -178 | 0 | 0 | 0 | 0 | 111 | R183 | S181-R183 PolarHBondContact O-N 3.38Å; S181-R183 VanDerWaalsContact O-N 3.1Å | ||
| 182 | K | 51.6 | Low | 42.4 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -65.7 | 93.4 | 169 | -169.2 | 166.5 | -175.3 | 175.5 | 0 | 108.9 | S180 H184 | S180-K182 PolarHBondContact O-N 3.33Å; K182-H184 PolarHBondContact O-N 3.01Å | ||
| 183 | R | 43.3 | Very low | 42.6 | Very low | 218 Ų | 218 | 152.2 Ų | 152.2 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | trans | -83.8 | 92.8 | 168.3 | -65.2 | -165.1 | -144.7 | 177 | 7.5 | 109.4 | S181 | S181-R183 PolarHBondContact O-N 3.38Å; S181-R183 VanDerWaalsContact O-N 3.1Å | ||
| 184 | H | 42.9 | Very low | 42.3 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | trans | -90.1 | 106 | 163.1 | -165.5 | -93.7 | 0 | 0 | 0 | 107.1 | K182 S186 | K182-H184 PolarHBondContact O-N 3.01Å; H184-S186 PolarHBondContact CE1-OG 3.1Å | ||
| 185 | I | 39.9 | Very low | 42.3 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | -112.3 | 94.6 | 169.2 | -61.9 | 166.6 | 0 | 0 | 0 | 105.5 | ||||
| 186 | S | 38.6 | Very low | 42.2 | Very low | 91 Ų | 91 | 150 Ų | 150 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.3 | 166.4 | -85 | 0 | 0 | 0 | 0 | 108.5 | H184 | H184-S186 PolarHBondContact CE1-OG 3.1Š|
| 187 | I | 39.9 | Very low | 42.7 | Very low | 153 Ų | 153 | 146.7 Ų | 146.7 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 118.8 | 172.5 | -47.8 | 171 | 0 | 0 | 0 | 106.4 | V189 | I187-V189 HydrophobicContact CG2-CG2 4.22Š|
| 188 | H | 41.3 | Very low | 42.6 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 126.9 | 173.8 | -173.7 | -60.9 | 0 | 0 | 0 | 108.6 | ||
| 189 | V | 37.1 | Very low | 42.8 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -141.2 | 135.6 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 106.3 | I187 | I187-V189 HydrophobicContact CG2-CG2 4.22Š| ||
| 190 | P | 58.1 | Low | 42.7 | Very low | 184 Ų | 184 | 148 Ų | 148 | 100% | 1.195 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 0 | -151.9 | 28 | -38.6 | 0 | 0 | 0 | 116.5 |
Retrieved 190 of 190 residues in 187.9 ms
(Link to these results)