| 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 | L | 32 | Very low | 30 | Very low | 233 Ų | 233 | 155.8 Ų | 155.8 | 100% | 1.22 | 82% | 0.82 | S | S | * | * | 0 | 99.5 | 0 | -93.4 | 136.9 | 0 | 0 | 0 | 107.7 | |||||
| 2 | F | 27.9 | Very low | 29.9 | Very low | 210 Ų | 210 | 148.9 Ų | 148.9 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -84.4 | 136.2 | 168.2 | -93.8 | -94.3 | 0 | 0 | 0 | 107.7 | ||||
| 3 | C | 28.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -128.7 | 117.3 | 169.2 | -155.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | C | 33.2 | Very low | 30 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -91.3 | 128.6 | 169.6 | -64.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 5 | L | 31.9 | Very low | 30.2 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | trans | -130 | 111.8 | 160.5 | -86 | 165 | 0 | 0 | 0 | 106.8 | ||||
| 6 | G | 32.6 | Very low | 30.2 | Very low | 63 Ų | 63 | 144.6 Ų | 144.6 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | trans | -86.2 | 154.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 7 | Y | 26 | Very low | 30.1 | Very low | 214 Ų | 214 | 151.2 Ų | 151.2 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -144.7 | 139.3 | 154.3 | -55.7 | -79.8 | 0 | 0 | 0 | 108.6 | ||||
| 8 | E | 28.2 | Very low | 30 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -99.9 | 161.6 | -168.3 | -116 | -171.8 | 134.8 | 0 | 0 | 112 | ||||
| 9 | W | 31.9 | Very low | 30 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | trans | 78.2 | 139 | 154.6 | -85.9 | 53.5 | 0 | 0 | 0 | 118.9 | ||||
| 10 | L | 28 | Very low | 30.1 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 65% | 0.654 | 81% | 0.813 | S | S | * | * | cis | -175.3 | 138 | -1.8 | -178.5 | -160.9 | 0 | 0 | 0 | 108.1 | ||||
| 11 | S | 30 | Very low | 30 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | 156.4 | 128.3 | 136 | -170.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 12 | G | 29.1 | Very low | 30 | Very low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 99 | 90.8 | 152 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 13 | G | 32.4 | Very low | 30.3 | Very low | 82 Ų | 82 | 142.9 Ų | 142.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -55.8 | 139.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 14 | C | 28.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | -166.2 | 130.2 | 120.3 | -134.7 | 0 | 0 | 0 | 0 | 109 | T16 | C14-T16 PolarHBondContact O-N 3.19Š| |||
| 15 | K | 33.4 | Very low | 31 | Very low | 207 Ų | 207 | 140.4 Ų | 140.4 | 90% | 0.9 | 78% | 0.775 | S | S | * | * | trans | -74.3 | 104 | 177.9 | -78.9 | 174.1 | 176.6 | 169.4 | 0 | 109.7 | ||||
| 16 | T | 29.6 | Very low | 31.5 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | trans | -129.7 | 119.4 | 155.2 | 46.7 | 0 | 0 | 0 | 0 | 108.3 | C14 H18 | C14-T16 PolarHBondContact O-N 3.19Å; T16-H18 PolarHBondContact O-N 3.01Å | ||
| 17 | W | 28.6 | Very low | 31.8 | Very low | 256 Ų | 256 | 138.1 Ų | 138.1 | 97% | 0.97 | 76% | 0.76 | S | S | * | * | trans | -59 | 105.8 | 176.1 | -76.6 | 78.6 | 0 | 0 | 0 | 109.8 | ||||
| 18 | H | 28.1 | Very low | 32.8 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | trans | -122 | 111.1 | 161.2 | -99.9 | -99.3 | 0 | 0 | 0 | 107.5 | T16 A20 | T16-H18 PolarHBondContact O-N 3.01Å; H18-A20 PolarHBondContact O-N 3.23Å | ||
| 19 | S | 30.6 | Very low | 33.8 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -58.6 | 98 | 165.7 | 41.3 | 0 | 0 | 0 | 0 | 109 | W21 | S19-W21 PolarHBondContact O-N 2.93Š| ||
| 20 | A | 30.8 | Very low | 34.3 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | -74.9 | 104.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | H18 V22 | H18-A20 PolarHBondContact O-N 3.23Å; A20-V22 PolarHBondContact O-N 3.27Å | ||
| 21 | W | 29.9 | Very low | 35.4 | Very low | 219 Ų | 219 | 121 Ų | 121 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | trans | -75.7 | 102.1 | 167.2 | -67.5 | 83.1 | 0 | 0 | 0 | 108.2 | S19 W23 | S19-W21 PolarHBondContact O-N 2.93Å; W21-W23 PolarHBondContact O-N 3.15Å | ||
| 22 | V | 31.4 | Very low | 36.4 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 83% | 0.83 | 70% | 0.695 | S | S | * | * | trans | -67.3 | 98.7 | 166.9 | 176.7 | 0 | 0 | 0 | 0 | 107.4 | A20 G24 | A20-V22 PolarHBondContact O-N 3.27Å; V22-G24 PolarHBondContact O-N 3.02Å; V22-G24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | W | 33.3 | Very low | 37.3 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 60% | 0.598 | 69% | 0.689 | S | S | * | * | trans | -69.4 | 107.7 | 169.2 | -86 | 49.8 | 0 | 0 | 0 | 108.2 | W21 S25 C27 I31 | W21-W23 PolarHBondContact O-N 3.15Å; W23-S25 PolarHBondContact O-N 3.49Å; W23-C27 HydrophobicContact CE3-CB 4.38Å; W23-I31 HydrophobicContact CH2-CG2 4.27Å; W23-I31 HydrophobicContact CZ3-CD1 4.25Å; W23-I31 HydrophobicContact CZ3-CG2 4.43Å | ||
| 24 | G | 32.8 | Very low | 37.9 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | trans | -51.2 | 136.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V22 S26 | V22-G24 PolarHBondContact O-N 3.02Å; V22-G24 VanDerWaalsContact O-N 3.15Å; G24-S26 VanDerWaalsContact C-N 3.35Å; G24-S26 PolarHBondContact O-N 3.32Å | ||
| 25 | S | 44.9 | Very low | 39 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -50.5 | 80.6 | -169.5 | -44.3 | 0 | 0 | 0 | 0 | 114.9 | W23 | W23-S25 PolarHBondContact O-N 3.49Š|
| 26 | S | 40.6 | Very low | 39.7 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -154.6 | 30.5 | 165 | -71 | 0 | 0 | 0 | 0 | 111.7 | G24 H28 | G24-S26 VanDerWaalsContact C-N 3.35Å; G24-S26 PolarHBondContact O-N 3.32Å; S26-H28 PolarHBondContact O-N 3.26Å | ||
| 27 | C | 40.7 | Very low | 40.4 | Very low | 44 Ų | 44 | 117.8 Ų | 117.8 | 30% | 0.297 | 65% | 0.645 | S | S | . | * | trans | -75.1 | 104.8 | 169.9 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | W23 I32 | W23-C27 HydrophobicContact CE3-CB 4.38Å; C27-I32 HydrophobicContact CB-CD1 4.19Å; C27-I32 HydrophobicContact CB-CG1 4.21Å | ||
| 28 | H | 45.3 | Very low | 41.5 | Very low | 130 Ų | 130 | 109 Ų | 109 | 60% | 0.602 | 62% | 0.619 | S | S | * | * | trans | -54.1 | 138.5 | 169.8 | -158.7 | -102.2 | 0 | 0 | 0 | 110 | S26 A30 I31 | S26-H28 PolarHBondContact O-N 3.26Å; H28-A30 PolarHBondContact O-N 3.46Å; H28-I31 HydrophobicContact CB-CD1 4.32Å; H28-I31 HydrophobicContact CB-CG1 4.48Å; H28-I31 WeakPolarHBondContact O-CB 3.47Å; H28-I31 PolarHBondContact O-N 3.15Å | ||
| 29 | P | 49.3 | Very low | 42.2 | Very low | 95 Ų | 95 | 103.2 Ų | 103.2 | 62% | 0.617 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -56.6 | -23.1 | -174.4 | 18.1 | -30.6 | 0 | 0 | 0 | 114 | I31 I32 C33 | P29-I31 VanDerWaalsContact C-N 3.34Å; P29-I31 PolarHBondContact O-N 3.39Å; P29-I32 PolarHBondContact O-N 3.09Å; P29-C33 PolarHBondContact O-N 2.76Å; P29-C33 VanDerWaalsContact O-N 3.15Å |
| 30 | A | 44 | Very low | 42.7 | Very low | 59 Ų | 59 | 105.1 Ų | 105.1 | 49% | 0.488 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.3 | -32.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | H28 F34 | H28-A30 PolarHBondContact O-N 3.46Å; A30-F34 PolarHBondContact O-N 3.45Å; A30-F34 VanDerWaalsContact O-N 3.11Å |
| 31 | I | 49.8 | Very low | 43.4 | Very low | 67 Ų | 67 | 105.3 Ų | 105.3 | 34% | 0.344 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.3 | -37.6 | -178.7 | -61 | 173.7 | 0 | 0 | 0 | 110.2 | W23 H28 P29 F34 L35 | W23-I31 HydrophobicContact CH2-CG2 4.27Å; W23-I31 HydrophobicContact CZ3-CD1 4.25Å; W23-I31 HydrophobicContact CZ3-CG2 4.43Å; H28-I31 HydrophobicContact CB-CD1 4.32Å; H28-I31 HydrophobicContact CB-CG1 4.48Å; H28-I31 WeakPolarHBondContact O-CB 3.47Å; H28-I31 PolarHBondContact O-N 3.15Å; P29-I31 VanDerWaalsContact C-N 3.34Å; P29-I31 PolarHBondContact O-N 3.39Å; I31-F34 PolarHBondContact O-N 3.45Å; I31-L35 HydrophobicContact CG2-CD1 4.3Å; I31-L35 PolarHBondContact O-N 3.49Å; I31-L35 VanDerWaalsContact O-N 3.1Å |
| 32 | I | 52.5 | Low | 43.9 | Very low | 94 Ų | 94 | 99.9 Ų | 99.9 | 48% | 0.482 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.1 | -42.1 | 175.4 | -60.9 | 172.7 | 0 | 0 | 0 | 110.2 | C27 P29 F34 L35 C36 | C27-I32 HydrophobicContact CB-CD1 4.19Å; C27-I32 HydrophobicContact CB-CG1 4.21Å; P29-I32 PolarHBondContact O-N 3.09Å; I32-F34 VanDerWaalsContact C-N 3.33Å; I32-F34 PolarHBondContact O-N 3.06Å; I32-L35 PolarHBondContact O-N 3.47Å; I32-C36 WeakPolarHBondContact O-CB 3.43Å; I32-C36 PolarHBondContact O-N 3.49Å |
| 33 | C | 46.2 | Very low | 44.3 | Very low | 92 Ų | 92 | 100.5 Ų | 100.5 | 62% | 0.622 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.7 | -39.3 | 173.1 | -96.1 | 0 | 0 | 0 | 0 | 113 | P29 F37 | P29-C33 PolarHBondContact O-N 2.76Å; P29-C33 VanDerWaalsContact O-N 3.15Å; C33-F37 WeakPolarHBondContact O-CB 3.34Å; C33-F37 PolarHBondContact O-N 3.23Å |
| 34 | F | 45.8 | Very low | 44.5 | Very low | 128 Ų | 128 | 102.5 Ų | 102.5 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.9 | -43.6 | 178.9 | -165.7 | -96.6 | 0 | 0 | 0 | 111.9 | A30 I31 I32 F37 V38 | A30-F34 PolarHBondContact O-N 3.45Å; A30-F34 VanDerWaalsContact O-N 3.11Å; I31-F34 PolarHBondContact O-N 3.45Å; I32-F34 VanDerWaalsContact C-N 3.33Å; I32-F34 PolarHBondContact O-N 3.06Å; F34-F37 PolarHBondContact O-N 3.06Å; F34-V38 HydrophobicContact CD1-CG2 4.41Å; F34-V38 HydrophobicContact CE1-CG2 4.21Å; F34-V38 WeakPolarHBondContact O-CG2 3.43Å; F34-V38 PolarHBondContact O-N 3.26Å; F34-V38 VanDerWaalsContact O-N 3.12Å |
| 35 | L | 50.4 | Low | 45 | Very low | 115 Ų | 115 | 106.6 Ų | 106.6 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.9 | -40.8 | 177.1 | -78.4 | 160.3 | 0 | 0 | 0 | 112.5 | I31 I32 F37 V38 A39 | I31-L35 HydrophobicContact CG2-CD1 4.3Å; I31-L35 PolarHBondContact O-N 3.49Å; I31-L35 VanDerWaalsContact O-N 3.1Å; I32-L35 PolarHBondContact O-N 3.47Å; L35-F37 PolarHBondContact O-N 3.33Å; L35-V38 PolarHBondContact O-N 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.49Å |
| 36 | C | 49.1 | Very low | 44.6 | Very low | 85 Ų | 85 | 106 Ų | 106 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.8 | -35 | 175.4 | -81 | 0 | 0 | 0 | 0 | 113.1 | I32 K40 | I32-C36 WeakPolarHBondContact O-CB 3.43Å; I32-C36 PolarHBondContact O-N 3.49Å; C36-K40 WeakPolarHBondContact O-CB 3.5Å; C36-K40 PolarHBondContact O-N 3.12Å |
| 37 | F | 44.2 | Very low | 44.7 | Very low | 139 Ų | 139 | 104.5 Ų | 104.5 | 61% | 0.61 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.9 | -43.2 | 177.8 | -172 | -98 | 0 | 0 | 0 | 111.8 | C33 F34 L35 K40 V41 | C33-F37 WeakPolarHBondContact O-CB 3.34Å; C33-F37 PolarHBondContact O-N 3.23Å; F34-F37 PolarHBondContact O-N 3.06Å; L35-F37 PolarHBondContact O-N 3.33Å; F37-K40 PolarHBondContact O-N 3.48Å; F37-V41 HydrophobicContact CE1-CG2 4.3Å; F37-V41 PolarHBondContact O-N 3.4Å |
| 38 | V | 51.2 | Low | 44.4 | Very low | 70 Ų | 70 | 108.2 Ų | 108.2 | 42% | 0.424 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.5 | -44.3 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 111 | F34 L35 K40 V41 T42 | F34-V38 HydrophobicContact CD1-CG2 4.41Å; F34-V38 HydrophobicContact CE1-CG2 4.21Å; F34-V38 WeakPolarHBondContact O-CG2 3.43Å; F34-V38 PolarHBondContact O-N 3.26Å; F34-V38 VanDerWaalsContact O-N 3.12Å; L35-V38 PolarHBondContact O-N 3.29Å; V38-K40 VanDerWaalsContact C-N 3.3Å; V38-K40 PolarHBondContact O-N 3.35Å; V38-V41 PolarHBondContact O-N 3.21Å; V38-T42 PolarHBondContact O-N 3.01Å; V38-T42 PolarHBondContact O-OG1 3.01Å; V38-T42 VanDerWaalsContact O-OG1 3.09Å |
| 39 | A | 44.5 | Very low | 44.1 | Very low | 48 Ų | 48 | 107.3 Ų | 107.3 | 40% | 0.397 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.5 | -33.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L35 T42 L43 | L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.49Å; A39-T42 WeakPolarHBondContact CA-OG1 3.23Å; A39-T42 PolarHBondContact O-OG1 3.4Å; A39-T42 VanDerWaalsContact O-OG1 3.06Å; A39-L43 PolarHBondContact O-N 3.1Å |
| 40 | K | 40.5 | Very low | 43.9 | Very low | 140 Ų | 140 | 106.9 Ų | 106.9 | 61% | 0.609 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.7 | -24.8 | -179.8 | -158.7 | 171.7 | -179.7 | 79.2 | 0 | 113.3 | C36 F37 V38 | C36-K40 WeakPolarHBondContact O-CB 3.5Å; C36-K40 PolarHBondContact O-N 3.12Å; F37-K40 PolarHBondContact O-N 3.48Å; V38-K40 VanDerWaalsContact C-N 3.3Å; V38-K40 PolarHBondContact O-N 3.35Å |
| 41 | V | 44.6 | Very low | 43.3 | Very low | 95 Ų | 95 | 114.8 Ų | 114.8 | 58% | 0.576 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -80.1 | -35.6 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | F37 V38 | F37-V41 HydrophobicContact CE1-CG2 4.3Å; F37-V41 PolarHBondContact O-N 3.4Å; V38-V41 PolarHBondContact O-N 3.21Å |
| 42 | T | 40.9 | Very low | 42.7 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 64% | 0.644 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.1 | -23.3 | 179.8 | 40 | 0 | 0 | 0 | 0 | 114.6 | V38 A39 | V38-T42 PolarHBondContact O-N 3.01Å; V38-T42 PolarHBondContact O-OG1 3.01Å; V38-T42 VanDerWaalsContact O-OG1 3.09Å; A39-T42 WeakPolarHBondContact CA-OG1 3.23Å; A39-T42 PolarHBondContact O-OG1 3.4Å; A39-T42 VanDerWaalsContact O-OG1 3.06Å |
| 43 | L | 39.9 | Very low | 41.9 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -5.9 | 179.9 | -82.1 | 165.1 | 0 | 0 | 0 | 114.8 | A39 | A39-L43 PolarHBondContact O-N 3.1Š|
| 44 | R | 37.6 | Very low | 41.5 | Very low | 200 Ų | 200 | 132 Ų | 132 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 13.8 | -174.4 | -90.4 | -167.9 | -172.6 | -162.3 | 1.5 | 115.4 | ||
| 45 | N | 43.6 | Very low | 41.3 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | trans | -125.9 | 77.2 | -178.2 | -130.1 | -25.4 | 0 | 0 | 0 | 112.7 | ||||
| 46 | P | 36.1 | Very low | 40.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | trans | -87.2 | 127.1 | 152.1 | 32.7 | -24.7 | 0 | 0 | 0 | 108.7 | ||||
| 47 | G | 42.7 | Very low | 40.6 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -66.4 | 170.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 48 | S | 34.7 | Very low | 40.3 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -118.9 | 101.2 | 163.9 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 49 | S | 38.3 | Very low | 40.2 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -62.1 | 131.9 | 171 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | R51 | S49-R51 PolarHBondContact O-N 3.43Š| ||
| 50 | G | 45.1 | Very low | 39.9 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -59.7 | 127.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 51 | R | 32 | Very low | 39.8 | Very low | 225 Ų | 225 | 136.5 Ų | 136.5 | 85% | 0.849 | 80% | 0.798 | S | S | * | * | trans | -120.2 | 115 | 161.6 | -151.3 | -178.6 | -146.4 | -177.6 | 6.3 | 107.7 | S49 E53 | S49-R51 PolarHBondContact O-N 3.43Å; R51-E53 PolarHBondContact O-N 3.15Å | ||
| 52 | K | 37.1 | Very low | 39.8 | Very low | 213 Ų | 213 | 143.5 Ų | 143.5 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -87.2 | 101.8 | 178.9 | -157.1 | 179.9 | -171.7 | -177.9 | 0 | 106.8 | ||||
| 53 | E | 35.2 | Very low | 40 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79 | 135.9 | 172.5 | -69.7 | -164 | 166.2 | 0 | 0 | 110.6 | R51 | R51-E53 PolarHBondContact O-N 3.15Š|
| 54 | R | 37.4 | Very low | 40.3 | Very low | 233 Ų | 233 | 142.9 Ų | 142.9 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 135 | 179 | -175.2 | -177.1 | -166.1 | 165.4 | 2.7 | 108.3 | E56 | R54-E56 PolarHBondContact O-N 3.5Š|
| 55 | P | 42.3 | Very low | 40.7 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 126.5 | 176.5 | 29.5 | -29.3 | 0 | 0 | 0 | 110.4 | ||
| 56 | E | 39.3 | Very low | 41 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 141.2 | 166.6 | -77.5 | -71.3 | 149.6 | 0 | 0 | 110.7 | R54 G58 | R54-E56 PolarHBondContact O-N 3.5Å; E56-G58 PolarHBondContact O-N 3.29Å |
| 57 | A | 46.6 | Very low | 41.4 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -73.8 | 112.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 58 | G | 37 | Very low | 41.7 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -121.5 | 106.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E56 | E56-G58 PolarHBondContact O-N 3.29Š| ||
| 59 | T | 48.8 | Very low | 42.5 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -57.7 | 123.5 | 173.3 | 36.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 60 | G | 38.5 | Very low | 43.1 | Very low | 64 Ų | 64 | 147 Ų | 147 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 179.3 | 101.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 61 | S | 38.2 | Very low | 43.2 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 31.1 | 109.8 | 155 | -167.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 62 | W | 44.6 | Very low | 43.9 | Very low | 241 Ų | 241 | 143 Ų | 143 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -93.2 | 23.7 | -175.9 | -84.7 | 96 | 0 | 0 | 0 | 116.2 | ||
| 63 | L | 46.2 | Very low | 44.4 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -124.1 | 15.7 | -165.3 | -101.9 | 148.7 | 0 | 0 | 0 | 118.1 | ||
| 64 | G | 45.2 | Very low | 44.8 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -139.5 | -6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 65 | R | 45.7 | Very low | 45.2 | Very low | 199 Ų | 199 | 126.3 Ų | 126.3 | 75% | 0.751 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -110.9 | -2.4 | -164.2 | -159.1 | 171.7 | -76.1 | 144.3 | -4.4 | 116.4 | ||
| 66 | T | 50.3 | Low | 45.3 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -92.7 | -9.3 | -163.4 | 45.7 | 0 | 0 | 0 | 0 | 117 | V70 | T66-V70 WeakPolarHBondContact O-CG2 3.32Å |
| 67 | R | 45.1 | Very low | 45.6 | Very low | 211 Ų | 211 | 124.4 Ų | 124.4 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -94.7 | -40 | 178.9 | -78.7 | -175.1 | 179.3 | 156.7 | 0.7 | 114.8 | I71 | R67-I71 WeakPolarHBondContact O-CG1 3.5Å |
| 68 | N | 48.2 | Very low | 45.6 | Very low | 128 Ų | 128 | 127 Ų | 127 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -79.2 | -21 | -178.1 | -67.7 | -9.3 | 0 | 0 | 0 | 113.3 | N72 | N68-N72 WeakPolarHBondContact O-CB 3.37Å; N68-N72 PolarHBondContact O-N 3.01Å; N68-N72 PolarHBondContact O-ND2 3.3Å |
| 69 | Q | 50.6 | Low | 45.9 | Very low | 125 Ų | 125 | 132 Ų | 132 | 58% | 0.584 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -73.9 | -40.8 | 176 | -120.6 | 173 | 2.6 | 0 | 0 | 111.9 | T73 | Q69-T73 PolarHBondContact O-N 2.86Å; Q69-T73 PolarHBondContact O-OG1 3.12Å |
| 70 | V | 51.1 | Low | 45.7 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 57% | 0.57 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -70.4 | -38.6 | -177.4 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | T66 T73 L74 | T66-V70 WeakPolarHBondContact O-CG2 3.32Å; V70-T73 WeakPolarHBondContact CA-OG1 3.26Å; V70-T73 PolarHBondContact O-N 2.94Å; V70-T73 PolarHBondContact O-OG1 3.31Å; V70-L74 WeakPolarHBondContact O-CB 3.1Å; V70-L74 PolarHBondContact O-N 3.19Å |
| 71 | I | 47.9 | Very low | 45.9 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 56% | 0.564 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70 | -39 | 178.7 | -60.5 | 171.4 | 0 | 0 | 0 | 110.7 | R67 L74 A75 | R67-I71 WeakPolarHBondContact O-CG1 3.5Å; I71-L74 PolarHBondContact O-N 3.11Å; I71-A75 WeakPolarHBondContact O-CB 3.45Å; I71-A75 PolarHBondContact O-N 3.31Å |
| 72 | N | 47.6 | Very low | 46.3 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.3 | -33 | 175.6 | -73.8 | -12.9 | 0 | 0 | 0 | 112.8 | N68 D76 | N68-N72 WeakPolarHBondContact O-CB 3.37Å; N68-N72 PolarHBondContact O-N 3.01Å; N68-N72 PolarHBondContact O-ND2 3.3Å; N72-D76 VanDerWaalsContact O-CB 3.28Å; N72-D76 WeakPolarHBondContact O-CB 3.19Å; N72-D76 PolarHBondContact O-N 2.93Å; N72-D76 VanDerWaalsContact O-N 3.12Å |
| 73 | T | 47.5 | Very low | 46.3 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 48% | 0.479 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -70.9 | -34 | 173.3 | 20.4 | 0 | 0 | 0 | 0 | 112.5 | Q69 V70 H77 | Q69-T73 PolarHBondContact O-N 2.86Å; Q69-T73 PolarHBondContact O-OG1 3.12Å; V70-T73 WeakPolarHBondContact CA-OG1 3.26Å; V70-T73 PolarHBondContact O-N 2.94Å; V70-T73 PolarHBondContact O-OG1 3.31Å; T73-H77 PolarHBondContact O-N 3.47Å; T73-H77 PolarHBondContact O-ND1 3.09Å; T73-H77 VanDerWaalsContact O-ND1 3.13Å |
| 74 | L | 42.8 | Very low | 46 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.8 | -37.8 | 177.6 | -165 | 72.4 | 0 | 0 | 0 | 112.2 | V70 I71 H77 | V70-L74 WeakPolarHBondContact O-CB 3.1Å; V70-L74 PolarHBondContact O-N 3.19Å; I71-L74 PolarHBondContact O-N 3.11Å; L74-H77 PolarHBondContact O-N 3.46Å |
| 75 | A | 45.5 | Very low | 46.3 | Very low | 64 Ų | 64 | 131 Ų | 131 | 53% | 0.529 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -69.4 | -34.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I71 H77 | I71-A75 WeakPolarHBondContact O-CB 3.45Å; I71-A75 PolarHBondContact O-N 3.31Å; A75-H77 VanDerWaalsContact C-N 3.26Å; A75-H77 PolarHBondContact O-N 2.91Å |
| 76 | D | 44.5 | Very low | 46.4 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.8 | -15.6 | 179.6 | -155.2 | 40.6 | 0 | 0 | 0 | 113 | N72 | N72-D76 VanDerWaalsContact O-CB 3.28Å; N72-D76 WeakPolarHBondContact O-CB 3.19Å; N72-D76 PolarHBondContact O-N 2.93Å; N72-D76 VanDerWaalsContact O-N 3.12Å |
| 77 | H | 46.8 | Very low | 46.6 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 66% | 0.657 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -13.6 | 179.2 | -79.2 | 31.2 | 0 | 0 | 0 | 114.5 | T73 L74 A75 | T73-H77 PolarHBondContact O-N 3.47Å; T73-H77 PolarHBondContact O-ND1 3.09Å; T73-H77 VanDerWaalsContact O-ND1 3.13Å; L74-H77 PolarHBondContact O-N 3.46Å; A75-H77 VanDerWaalsContact C-N 3.26Å; A75-H77 PolarHBondContact O-N 2.91Å |
| 78 | H | 45.8 | Very low | 47.3 | Very low | 160 Ų | 160 | 117 Ų | 117 | 74% | 0.741 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -98 | 1.5 | -176.4 | -91.1 | -74.8 | 0 | 0 | 0 | 115.2 | ||
| 79 | H | 43.1 | Very low | 47.6 | Very low | 177 Ų | 177 | 119.9 Ų | 119.9 | 82% | 0.819 | 65% | 0.651 | S | S | * | * | trans | -117.1 | 15.2 | 178.1 | -96.9 | -53.7 | 0 | 0 | 0 | 116.4 | G81 | H79-G81 PolarHBondContact O-N 3.41Š| ||
| 80 | R | 45.5 | Very low | 48.1 | Very low | 225 Ų | 225 | 117.3 Ų | 117.3 | 85% | 0.849 | 64% | 0.642 | S | S | * | * | trans | -78.9 | 69.6 | 167 | -91.5 | -175.8 | 167.1 | 178.4 | -1.5 | 111.5 | T82 | R80-T82 PolarHBondContact O-N 2.92Š| ||
| 81 | G | 42.7 | Very low | 48.6 | Very low | 42 Ų | 42 | 119.4 Ų | 119.4 | 43% | 0.433 | 65% | 0.645 | S | S | . | * | trans | -60.7 | 119.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109 | H79 D83 | H79-G81 PolarHBondContact O-N 3.41Å; G81-D83 VanDerWaalsContact C-N 3.3Å; G81-D83 PolarHBondContact O-N 3.04Å | ||
| 82 | T | 45.7 | Very low | 49.3 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 85% | 0.853 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 48.1 | 28.4 | 146.1 | 50.4 | 0 | 0 | 0 | 0 | 120 | R80 F84 | R80-T82 PolarHBondContact O-N 2.92Å; T82-F84 VanDerWaalsContact C-N 3.27Å; T82-F84 PolarHBondContact O-N 3.09Å; T82-F84 VanDerWaalsContact O-N 3.14Å |
| 83 | D | 44.4 | Very low | 50 | Low | 140 Ų | 140 | 116.8 Ų | 116.8 | 75% | 0.749 | 63% | 0.634 | S | S | * | * | trans | -90 | 47.2 | 175.8 | -66.8 | -30.5 | 0 | 0 | 0 | 113.5 | G81 G85 | G81-D83 VanDerWaalsContact C-N 3.3Å; G81-D83 PolarHBondContact O-N 3.04Å; D83-G85 PolarHBondContact O-N 2.91Å | ||
| 84 | F | 41.2 | Very low | 50.7 | Low | 182 Ų | 182 | 118.6 Ų | 118.6 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | trans | -81.3 | 20.7 | 154.8 | -86.7 | -80.9 | 0 | 0 | 0 | 111.5 | T82 G86 L90 | T82-F84 VanDerWaalsContact C-N 3.27Å; T82-F84 PolarHBondContact O-N 3.09Å; T82-F84 VanDerWaalsContact O-N 3.14Å; F84-G86 PolarHBondContact O-N 3.42Å; F84-G86 VanDerWaalsContact O-N 3.08Å; F84-L90 HydrophobicContact CB-CD1 4.22Å; F84-L90 WeakPolarHBondContact O-CD1 3.32Å | ||
| 85 | G | 49.7 | Very low | 51.4 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 74% | 0.742 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 51.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D83 | D83-G85 PolarHBondContact O-N 2.91Š|
| 86 | G | 49.5 | Very low | 52 | Low | 64 Ų | 64 | 118.5 Ų | 118.5 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.6 | -2.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | F84 P88 | F84-G86 PolarHBondContact O-N 3.42Å; F84-G86 VanDerWaalsContact O-N 3.08Å; G86-P88 VanDerWaalsContact O-CD 3.29Å; G86-P88 WeakPolarHBondContact O-CD 3.44Å |
| 87 | S | 54.1 | Low | 52.8 | Low | 57 Ų | 57 | 114.7 Ų | 114.7 | 40% | 0.399 | 61% | 0.614 | S | S | . | * | trans | -85.8 | 115.5 | 177.5 | -158.4 | 0 | 0 | 0 | 0 | 109.3 | W89 L90 | S87-W89 PolarHBondContact O-N 3.42Å; S87-L90 PolarHBondContact O-N 2.93Å | ||
| 88 | P | 59.3 | Low | 53.4 | Low | 95 Ų | 95 | 111.9 Ų | 111.9 | 62% | 0.617 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -53.8 | -25.2 | 178.6 | -25.5 | 34.7 | 0 | 0 | 0 | 112.6 | G86 H91 V92 | G86-P88 VanDerWaalsContact O-CD 3.29Å; G86-P88 WeakPolarHBondContact O-CD 3.44Å; P88-H91 PolarHBondContact O-N 2.93Å; P88-V92 VanDerWaalsContact O-CG2 3.31Å; P88-V92 WeakPolarHBondContact O-CG2 3.47Å; P88-V92 PolarHBondContact O-N 3.34Å; P88-V92 VanDerWaalsContact O-N 3.09Å |
| 89 | W | 55.7 | Low | 54.3 | Low | 189 Ų | 189 | 107.6 Ų | 107.6 | 72% | 0.716 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63 | -35.5 | 175 | -91.6 | 79.7 | 0 | 0 | 0 | 114.5 | S87 V92 I93 | S87-W89 PolarHBondContact O-N 3.42Å; W89-V92 PolarHBondContact O-N 2.96Å; W89-I93 HydrophobicContact CE3-CD1 4.25Å; W89-I93 WeakPolarHBondContact O-CB 3.28Å; W89-I93 WeakPolarHBondContact O-CD1 3.29Å; W89-I93 WeakPolarHBondContact O-CG1 3.35Å; W89-I93 PolarHBondContact O-N 3.05Å |
| 90 | L | 61.1 | Low | 55.8 | Low | 72 Ų | 72 | 104.3 Ų | 104.3 | 38% | 0.377 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.8 | -37.6 | 178.6 | -74.6 | 170.6 | 0 | 0 | 0 | 111.6 | F84 S87 V92 I93 I94 | F84-L90 HydrophobicContact CB-CD1 4.22Å; F84-L90 WeakPolarHBondContact O-CD1 3.32Å; S87-L90 PolarHBondContact O-N 2.93Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 3.47Å; L90-I93 PolarHBondContact O-N 3.29Å; L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 3.5Å |
| 91 | H | 61 | Low | 57.2 | Low | 137 Ų | 137 | 99.5 Ų | 99.5 | 63% | 0.634 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.3 | -40.6 | 170.8 | -78 | -79.9 | 0 | 0 | 0 | 111.5 | P88 I94 A95 | P88-H91 PolarHBondContact O-N 2.93Å; H91-I94 PolarHBondContact O-N 3.27Å; H91-A95 WeakPolarHBondContact O-CA 3.17Å; H91-A95 WeakPolarHBondContact O-CB 3.44Å; H91-A95 PolarHBondContact O-N 3.01Å |
| 92 | V | 63 | Low | 58.6 | Low | 78 Ų | 78 | 101.3 Ų | 101.3 | 47% | 0.473 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64 | -45.3 | 174 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | P88 W89 L90 I94 F96 | P88-V92 VanDerWaalsContact O-CG2 3.31Å; P88-V92 WeakPolarHBondContact O-CG2 3.47Å; P88-V92 PolarHBondContact O-N 3.34Å; P88-V92 VanDerWaalsContact O-N 3.09Å; W89-V92 PolarHBondContact O-N 2.96Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 3.47Å; V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 PolarHBondContact O-N 2.91Å; V92-F96 WeakPolarHBondContact O-CB 3.34Å; V92-F96 PolarHBondContact O-N 3.43Å |
| 93 | I | 61.9 | Low | 60 | Low | 95 Ų | 95 | 99.2 Ų | 99.2 | 49% | 0.487 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.1 | -29.7 | -179.2 | -68 | 161.1 | 0 | 0 | 0 | 112.6 | W89 L90 P97 | W89-I93 HydrophobicContact CE3-CD1 4.25Å; W89-I93 WeakPolarHBondContact O-CB 3.28Å; W89-I93 WeakPolarHBondContact O-CD1 3.29Å; W89-I93 WeakPolarHBondContact O-CG1 3.35Å; W89-I93 PolarHBondContact O-N 3.05Å; L90-I93 PolarHBondContact O-N 3.29Å; I93-P97 WeakPolarHBondContact O-CD 3.31Å; I93-P97 WeakPolarHBondContact O-CG 3.37Å |
| 94 | I | 61.8 | Low | 61.7 | Low | 116 Ų | 116 | 96.5 Ų | 96.5 | 60% | 0.595 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -91.4 | -38.6 | 179.1 | -62.8 | 168.3 | 0 | 0 | 0 | 111.9 | L90 H91 V92 P97 T98 | L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 3.5Å; H91-I94 PolarHBondContact O-N 3.27Å; V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 PolarHBondContact O-N 2.91Å; I94-P97 WeakPolarHBondContact O-CD 3.39Å; I94-T98 PolarHBondContact O-OG1 2.85Å |
| 95 | A | 58 | Low | 63.3 | Low | 51 Ų | 51 | 92.2 Ų | 92.2 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.3 | -38.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H91 T98 S99 | H91-A95 WeakPolarHBondContact O-CA 3.17Å; H91-A95 WeakPolarHBondContact O-CB 3.44Å; H91-A95 PolarHBondContact O-N 3.01Å; A95-T98 PolarHBondContact O-N 2.88Å; A95-T98 VanDerWaalsContact O-N 3.08Å; A95-S99 WeakPolarHBondContact O-CB 3.43Å; A95-S99 PolarHBondContact O-N 3.37Å; A95-S99 PolarHBondContact O-OG 3.2Å; A95-S99 VanDerWaalsContact O-OG 3.08Å |
| 96 | F | 57.3 | Low | 64.8 | Low | 130 Ų | 130 | 94.2 Ų | 94.2 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | -178.3 | -168.4 | -91 | 0 | 0 | 0 | 112.8 | V92 T98 Y100 | V92-F96 WeakPolarHBondContact O-CB 3.34Å; V92-F96 PolarHBondContact O-N 3.43Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 3.5Å; F96-Y100 WeakPolarHBondContact O-CD1 3.38Å; F96-Y100 PolarHBondContact O-N 3.46Å |
| 97 | P | 61.3 | Low | 66.2 | Low | 46 Ų | 46 | 99.2 Ų | 99.2 | 30% | 0.299 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 170.7 | -29.6 | 36.5 | 0 | 0 | 0 | 115 | I93 I94 Y100 K101 | I93-P97 WeakPolarHBondContact O-CD 3.31Å; I93-P97 WeakPolarHBondContact O-CG 3.37Å; I94-P97 WeakPolarHBondContact O-CD 3.39Å; P97-Y100 HydrophobicContact CB-CD1 4.27Å; P97-Y100 HydrophobicContact CB-CE1 3.79Å; P97-Y100 WeakPolarHBondContact O-CD1 3.39Å; P97-Y100 VanDerWaalsContact O-CE1 3.22Å; P97-Y100 WeakPolarHBondContact O-CE1 3.46Å; P97-K101 VanDerWaalsContact O-CG 3.31Å; P97-K101 WeakPolarHBondContact O-CG 3.17Å; P97-K101 PolarHBondContact O-N 3.35Å |
| 98 | T | 60.3 | Low | 67.6 | Low | 83 Ų | 83 | 101.2 Ų | 101.2 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.4 | -43 | -175.7 | -52.1 | 0 | 0 | 0 | 0 | 109.9 | I94 A95 F96 K101 V102 | I94-T98 PolarHBondContact O-OG1 2.85Å; A95-T98 PolarHBondContact O-N 2.88Å; A95-T98 VanDerWaalsContact O-N 3.08Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 3.5Å; T98-K101 PolarHBondContact O-N 2.92Å; T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.22Å; T98-V102 PolarHBondContact O-N 2.93Å; T98-V102 VanDerWaalsContact O-N 3.12Å |
| 99 | S | 64.8 | Low | 68.8 | Low | 69 Ų | 69 | 99.1 Ų | 99.1 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.2 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | A95 K101 V102 V103 | A95-S99 WeakPolarHBondContact O-CB 3.43Å; A95-S99 PolarHBondContact O-N 3.37Å; A95-S99 PolarHBondContact O-OG 3.2Å; A95-S99 VanDerWaalsContact O-OG 3.08Å; S99-K101 VanDerWaalsContact C-N 3.3Å; S99-K101 PolarHBondContact O-N 3.49Å; S99-V102 PolarHBondContact O-N 3.31Å; S99-V103 WeakPolarHBondContact O-CG2 3.32Å; S99-V103 PolarHBondContact O-N 3.09Å |
| 100 | Y | 73.9 | Confident | 70.1 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.1 | 88.5 | -113 | 0 | 0 | 0 | 111.2 | F96 P97 V102 V103 I104 | F96-Y100 WeakPolarHBondContact O-CD1 3.38Å; F96-Y100 PolarHBondContact O-N 3.46Å; P97-Y100 HydrophobicContact CB-CD1 4.27Å; P97-Y100 HydrophobicContact CB-CE1 3.79Å; P97-Y100 WeakPolarHBondContact O-CD1 3.39Å; P97-Y100 VanDerWaalsContact O-CE1 3.22Å; P97-Y100 WeakPolarHBondContact O-CE1 3.46Å; Y100-V102 VanDerWaalsContact C-N 3.31Å; Y100-V102 PolarHBondContact O-N 2.82Å; Y100-V103 PolarHBondContact O-N 3.29Å; Y100-I104 HydrophobicContact CD2-CD1 3.63Å; Y100-I104 HydrophobicContact CD2-CG1 4.47Å; Y100-I104 HydrophobicContact CE2-CD1 4.2Å; Y100-I104 WeakPolarHBondContact O-CB 3.02Å; Y100-I104 VanDerWaalsContact O-CG1 3.26Å; Y100-I104 WeakPolarHBondContact O-CG1 3.02Å; Y100-I104 PolarHBondContact O-N 3.08Å |
| 101 | K | 73.9 | Confident | 71.2 | Confident | 125 Ų | 125 | 98.4 Ų | 98.4 | 54% | 0.543 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 178.4 | -77.2 | -177 | 179.3 | 178.6 | 0 | 111.2 | P97 T98 S99 T105 | P97-K101 VanDerWaalsContact O-CG 3.31Å; P97-K101 WeakPolarHBondContact O-CG 3.17Å; P97-K101 PolarHBondContact O-N 3.35Å; T98-K101 PolarHBondContact O-N 2.92Å; S99-K101 VanDerWaalsContact C-N 3.3Å; S99-K101 PolarHBondContact O-N 3.49Å; K101-T105 VanDerWaalsContact O-CB 3.29Å; K101-T105 WeakPolarHBondContact O-CB 3.39Å; K101-T105 PolarHBondContact O-N 3.48Å; K101-T105 PolarHBondContact O-OG1 3.33Å |
| 102 | V | 72.1 | Confident | 72.1 | Confident | 79 Ų | 79 | 100.2 Ų | 100.2 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 176.7 | 173 | 0 | 0 | 0 | 0 | 110.7 | T98 S99 Y100 T105 L106 | T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.22Å; T98-V102 PolarHBondContact O-N 2.93Å; T98-V102 VanDerWaalsContact O-N 3.12Å; S99-V102 PolarHBondContact O-N 3.31Å; Y100-V102 VanDerWaalsContact C-N 3.31Å; Y100-V102 PolarHBondContact O-N 2.82Å; V102-T105 PolarHBondContact O-N 2.84Å; V102-L106 HydrophobicContact CG1-CD1 3.86Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.33Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.46Å; V102-L106 PolarHBondContact O-N 2.96Å |
| 103 | V | 75.9 | Confident | 72.9 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 179.6 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | S99 Y100 T105 L106 W107 | S99-V103 WeakPolarHBondContact O-CG2 3.32Å; S99-V103 PolarHBondContact O-N 3.09Å; Y100-V103 PolarHBondContact O-N 3.29Å; V103-T105 VanDerWaalsContact C-N 3.32Å; V103-T105 PolarHBondContact O-N 2.88Å; V103-L106 PolarHBondContact O-N 3.45Å; V103-W107 WeakPolarHBondContact O-CB 3.4Å; V103-W107 PolarHBondContact O-N 3Å |
| 104 | I | 79.6 | Confident | 73.6 | Confident | 84 Ų | 84 | 98.3 Ų | 98.3 | 43% | 0.431 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.8 | -68.6 | 177.3 | 0 | 0 | 0 | 110.5 | Y100 W107 I108 | Y100-I104 HydrophobicContact CD2-CD1 3.63Å; Y100-I104 HydrophobicContact CD2-CG1 4.47Å; Y100-I104 HydrophobicContact CE2-CD1 4.2Å; Y100-I104 WeakPolarHBondContact O-CB 3.02Å; Y100-I104 VanDerWaalsContact O-CG1 3.26Å; Y100-I104 WeakPolarHBondContact O-CG1 3.02Å; Y100-I104 PolarHBondContact O-N 3.08Å; I104-W107 PolarHBondContact O-N 3.08Å; I104-I108 HydrophobicContact CG2-CD1 3.69Å; I104-I108 HydrophobicContact CG2-CG1 4.34Å; I104-I108 WeakPolarHBondContact O-CB 2.82Å; I104-I108 VanDerWaalsContact O-CG1 3.24Å; I104-I108 WeakPolarHBondContact O-CG1 2.96Å; I104-I108 PolarHBondContact O-N 3.32Å |
| 105 | T | 75.9 | Confident | 74.3 | Confident | 92 Ų | 92 | 97.4 Ų | 97.4 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | K101 V102 V103 I108 A109 | K101-T105 VanDerWaalsContact O-CB 3.29Å; K101-T105 WeakPolarHBondContact O-CB 3.39Å; K101-T105 PolarHBondContact O-N 3.48Å; K101-T105 PolarHBondContact O-OG1 3.33Å; V102-T105 PolarHBondContact O-N 2.84Å; V103-T105 VanDerWaalsContact C-N 3.32Å; V103-T105 PolarHBondContact O-N 2.88Å; T105-I108 PolarHBondContact O-N 2.97Å; T105-A109 WeakPolarHBondContact O-CB 3.5Å; T105-A109 PolarHBondContact O-N 3.44Å |
| 106 | L | 79.9 | Confident | 75.3 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 175.3 | -72.6 | 171.1 | 0 | 0 | 0 | 111.9 | V102 V103 A109 Y110 | V102-L106 HydrophobicContact CG1-CD1 3.86Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.33Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.46Å; V102-L106 PolarHBondContact O-N 2.96Å; V103-L106 PolarHBondContact O-N 3.45Å; L106-A109 PolarHBondContact O-N 2.91Å; L106-Y110 VanDerWaalsContact O-CB 3.31Å; L106-Y110 WeakPolarHBondContact O-CB 3.44Å; L106-Y110 PolarHBondContact O-N 3.42Å |
| 107 | W | 78.9 | Confident | 75.9 | Confident | 169 Ų | 169 | 100.1 Ų | 100.1 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | 177 | -172.7 | 62.3 | 0 | 0 | 0 | 112.1 | V103 I104 Y110 L111 | V103-W107 WeakPolarHBondContact O-CB 3.4Å; V103-W107 PolarHBondContact O-N 3Å; I104-W107 PolarHBondContact O-N 3.08Å; W107-Y110 PolarHBondContact O-N 3.38Å; W107-L111 HydrophobicContact CD2-CD1 3.6Å; W107-L111 VanDerWaalsContact CE2-CD1 3.44Å; W107-L111 HydrophobicContact CE3-CD1 3.88Å; W107-L111 HydrophobicContact CG-CD1 4.21Å; W107-L111 HydrophobicContact CH2-CD1 3.9Å; W107-L111 HydrophobicContact CZ2-CD1 3.62Å; W107-L111 HydrophobicContact CZ3-CD1 4.02Å; W107-L111 WeakPolarHBondContact O-CB 3.42Å; W107-L111 PolarHBondContact O-N 2.95Å |
| 108 | I | 84.2 | Confident | 76.2 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 175.2 | -68.9 | 168.3 | 0 | 0 | 0 | 110.7 | I104 T105 Y110 L111 W112 | I104-I108 HydrophobicContact CG2-CD1 3.69Å; I104-I108 HydrophobicContact CG2-CG1 4.34Å; I104-I108 WeakPolarHBondContact O-CB 2.82Å; I104-I108 VanDerWaalsContact O-CG1 3.24Å; I104-I108 WeakPolarHBondContact O-CG1 2.96Å; I104-I108 PolarHBondContact O-N 3.32Å; T105-I108 PolarHBondContact O-N 2.97Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 3.44Å; I108-L111 PolarHBondContact O-N 3.47Å; I108-W112 WeakPolarHBondContact O-CB 3.47Å; I108-W112 PolarHBondContact O-N 3.08Å |
| 109 | A | 84.8 | Confident | 76.6 | Confident | 51 Ų | 51 | 102.6 Ų | 102.6 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T105 L106 W112 V113 | T105-A109 WeakPolarHBondContact O-CB 3.5Å; T105-A109 PolarHBondContact O-N 3.44Å; L106-A109 PolarHBondContact O-N 2.91Å; A109-W112 PolarHBondContact O-N 3.45Å; A109-V113 VanDerWaalsContact O-CG2 3.31Å; A109-V113 WeakPolarHBondContact O-CG2 3.15Å; A109-V113 PolarHBondContact O-N 3.42Å |
| 110 | Y | 82.6 | Confident | 76.4 | Confident | 162 Ų | 162 | 105.8 Ų | 105.8 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -45.6 | 177.7 | -179.3 | -100.1 | 0 | 0 | 0 | 112.4 | L106 W107 I108 W112 V113 S114 | L106-Y110 VanDerWaalsContact O-CB 3.31Å; L106-Y110 WeakPolarHBondContact O-CB 3.44Å; L106-Y110 PolarHBondContact O-N 3.42Å; W107-Y110 PolarHBondContact O-N 3.38Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 3.44Å; Y110-W112 VanDerWaalsContact C-N 3.26Å; Y110-W112 PolarHBondContact O-N 3.42Å; Y110-V113 PolarHBondContact O-N 3.03Å; Y110-S114 VanDerWaalsContact O-CB 3.3Å; Y110-S114 WeakPolarHBondContact O-CB 3.26Å; Y110-S114 PolarHBondContact O-N 3.34Å; Y110-S114 PolarHBondContact O-OG 3.26Å |
| 111 | L | 83.2 | Confident | 75.4 | Confident | 84 Ų | 84 | 111.1 Ų | 111.1 | 44% | 0.44 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 173.4 | -91.2 | 155.7 | 0 | 0 | 0 | 111.4 | W107 I108 S114 L115 | W107-L111 HydrophobicContact CD2-CD1 3.6Å; W107-L111 VanDerWaalsContact CE2-CD1 3.44Å; W107-L111 HydrophobicContact CE3-CD1 3.88Å; W107-L111 HydrophobicContact CG-CD1 4.21Å; W107-L111 HydrophobicContact CH2-CD1 3.9Å; W107-L111 HydrophobicContact CZ2-CD1 3.62Å; W107-L111 HydrophobicContact CZ3-CD1 4.02Å; W107-L111 WeakPolarHBondContact O-CB 3.42Å; W107-L111 PolarHBondContact O-N 2.95Å; I108-L111 PolarHBondContact O-N 3.47Å; L111-S114 PolarHBondContact O-N 2.87Å; L111-L115 VanDerWaalsContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 PolarHBondContact O-N 3.38Å |
| 112 | W | 81.3 | Confident | 74.4 | Confident | 175 Ų | 175 | 108.6 Ų | 108.6 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.8 | -45.7 | -179.8 | -151.3 | 60.9 | 0 | 0 | 0 | 111.9 | I108 A109 Y110 S114 L115 L116 | I108-W112 WeakPolarHBondContact O-CB 3.47Å; I108-W112 PolarHBondContact O-N 3.08Å; A109-W112 PolarHBondContact O-N 3.45Å; Y110-W112 VanDerWaalsContact C-N 3.26Å; Y110-W112 PolarHBondContact O-N 3.42Å; W112-S114 VanDerWaalsContact C-N 3.31Å; W112-S114 PolarHBondContact O-N 2.91Å; W112-L115 PolarHBondContact O-N 2.78Å; W112-L116 HydrophobicContact CD2-CD1 3.47Å; W112-L116 VanDerWaalsContact CD2-CD1 3.47Å; W112-L116 HydrophobicContact CE3-CD1 3.31Å; W112-L116 HydrophobicContact CG-CD1 4.11Å; W112-L116 HydrophobicContact CH2-CD1 3.95Å; W112-L116 HydrophobicContact CZ2-CD1 4.09Å; W112-L116 HydrophobicContact CZ3-CD1 3.57Å; W112-L116 WeakPolarHBondContact O-CB 3.38Å; W112-L116 WeakPolarHBondContact O-CD1 3.31Å; W112-L116 PolarHBondContact O-N 3.36Å |
| 113 | V | 79.6 | Confident | 73.3 | Confident | 91 Ų | 91 | 113.5 Ų | 113.5 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.9 | -40.1 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | A109 Y110 L116 K117 | A109-V113 VanDerWaalsContact O-CG2 3.31Å; A109-V113 WeakPolarHBondContact O-CG2 3.15Å; A109-V113 PolarHBondContact O-N 3.42Å; Y110-V113 PolarHBondContact O-N 3.03Å; V113-L116 PolarHBondContact O-N 2.88Å; V113-K117 VanDerWaalsContact O-CB 3.26Å; V113-K117 WeakPolarHBondContact O-CB 3.24Å; V113-K117 PolarHBondContact O-N 3.37Å |
| 114 | S | 77.1 | Confident | 72 | Confident | 42 Ų | 42 | 114 Ų | 114 | 29% | 0.294 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -45 | 177 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | Y110 L111 W112 K117 T118 | Y110-S114 VanDerWaalsContact O-CB 3.3Å; Y110-S114 WeakPolarHBondContact O-CB 3.26Å; Y110-S114 PolarHBondContact O-N 3.34Å; Y110-S114 PolarHBondContact O-OG 3.26Å; L111-S114 PolarHBondContact O-N 2.87Å; W112-S114 VanDerWaalsContact C-N 3.31Å; W112-S114 PolarHBondContact O-N 2.91Å; S114-K117 PolarHBondContact O-N 3.39Å; S114-T118 WeakPolarHBondContact O-CG2 3.32Å; S114-T118 PolarHBondContact O-N 3.49Å |
| 115 | L | 76 | Confident | 70.6 | Confident | 96 Ų | 96 | 112.9 Ų | 112.9 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -45 | 175.9 | -167.3 | 118.6 | 0 | 0 | 0 | 111.7 | L111 W112 K117 T118 I119 | L111-L115 VanDerWaalsContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 PolarHBondContact O-N 3.38Å; W112-L115 PolarHBondContact O-N 2.78Å; L115-K117 VanDerWaalsContact C-N 3.3Å; L115-K117 PolarHBondContact O-N 2.9Å; L115-T118 PolarHBondContact O-N 3.44Å; L115-T118 PolarHBondContact O-OG1 2.84Å; L115-I119 HydrophobicContact CD2-CD1 3.65Å; L115-I119 HydrophobicContact CG-CD1 4.16Å; L115-I119 WeakPolarHBondContact O-CG1 3.31Å; L115-I119 PolarHBondContact O-N 3.38Å |
| 116 | L | 78.1 | Confident | 69.5 | Low | 82 Ų | 82 | 113.8 Ų | 113.8 | 43% | 0.429 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.2 | -42.3 | 173.8 | -92.4 | 141.3 | 0 | 0 | 0 | 111.9 | W112 V113 I119 F120 | W112-L116 HydrophobicContact CD2-CD1 3.47Å; W112-L116 VanDerWaalsContact CD2-CD1 3.47Å; W112-L116 HydrophobicContact CE3-CD1 3.31Å; W112-L116 HydrophobicContact CG-CD1 4.11Å; W112-L116 HydrophobicContact CH2-CD1 3.95Å; W112-L116 HydrophobicContact CZ2-CD1 4.09Å; W112-L116 HydrophobicContact CZ3-CD1 3.57Å; W112-L116 WeakPolarHBondContact O-CB 3.38Å; W112-L116 WeakPolarHBondContact O-CD1 3.31Å; W112-L116 PolarHBondContact O-N 3.36Å; V113-L116 PolarHBondContact O-N 2.88Å; L116-I119 PolarHBondContact O-N 3.44Å; L116-F120 WeakPolarHBondContact O-CB 3.4Å; L116-F120 PolarHBondContact O-N 2.93Å |
| 117 | K | 71.2 | Confident | 68 | Low | 156 Ų | 156 | 114.9 Ų | 114.9 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64 | -43.1 | 177.6 | -171.2 | 162.5 | 174.9 | 143.4 | 0 | 111.6 | V113 S114 L115 F120 W121 | V113-K117 VanDerWaalsContact O-CB 3.26Å; V113-K117 WeakPolarHBondContact O-CB 3.24Å; V113-K117 PolarHBondContact O-N 3.37Å; S114-K117 PolarHBondContact O-N 3.39Å; L115-K117 VanDerWaalsContact C-N 3.3Å; L115-K117 PolarHBondContact O-N 2.9Å; K117-F120 PolarHBondContact O-N 3.26Å; K117-W121 WeakPolarHBondContact O-CB 3.27Å; K117-W121 PolarHBondContact O-N 3.29Å |
| 118 | T | 67.4 | Low | 66.9 | Low | 92 Ų | 92 | 109.5 Ų | 109.5 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.8 | -40.6 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 113 | S114 L115 S122 | S114-T118 WeakPolarHBondContact O-CG2 3.32Å; S114-T118 PolarHBondContact O-N 3.49Å; L115-T118 PolarHBondContact O-N 3.44Å; L115-T118 PolarHBondContact O-OG1 2.84Å; T118-S122 PolarHBondContact O-N 3.4Å; T118-S122 VanDerWaalsContact O-N 3.09Å |
| 119 | I | 68.6 | Low | 65.4 | Low | 89 Ų | 89 | 107.8 Ų | 107.8 | 46% | 0.456 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.2 | -43.8 | 178.4 | -67.3 | 168.2 | 0 | 0 | 0 | 110.7 | L115 L116 S122 R123 | L115-I119 HydrophobicContact CD2-CD1 3.65Å; L115-I119 HydrophobicContact CG-CD1 4.16Å; L115-I119 WeakPolarHBondContact O-CG1 3.31Å; L115-I119 PolarHBondContact O-N 3.38Å; L116-I119 PolarHBondContact O-N 3.44Å; I119-S122 PolarHBondContact O-N 2.99Å; I119-S122 PolarHBondContact O-OG 3.09Å; I119-R123 PolarHBondContact O-N 2.72Å; I119-R123 VanDerWaalsContact O-N 3.1Å |
| 120 | F | 60.2 | Low | 64.1 | Low | 136 Ų | 136 | 108.6 Ų | 108.6 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.7 | -37.6 | -177.8 | -157.1 | -102.3 | 0 | 0 | 0 | 112.1 | L116 K117 R123 N124 | L116-F120 WeakPolarHBondContact O-CB 3.4Å; L116-F120 PolarHBondContact O-N 2.93Å; K117-F120 PolarHBondContact O-N 3.26Å; F120-R123 PolarHBondContact O-N 3.25Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.46Å; F120-N124 PolarHBondContact O-N 2.98Å |
| 121 | W | 53.3 | Low | 63 | Low | 220 Ų | 220 | 104.7 Ų | 104.7 | 83% | 0.833 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.7 | -38.7 | 171.8 | -127.8 | 44.4 | 0 | 0 | 0 | 112.2 | K117 R123 G125 | K117-W121 WeakPolarHBondContact O-CB 3.27Å; K117-W121 PolarHBondContact O-N 3.29Å; W121-R123 PolarHBondContact O-N 3.35Å; W121-G125 PolarHBondContact O-N 2.86Å |
| 122 | S | 53.2 | Low | 61.9 | Low | 72 Ų | 72 | 105.5 Ų | 105.5 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.7 | -23.2 | 175.6 | 86.8 | 0 | 0 | 0 | 0 | 113.5 | T118 I119 H126 | T118-S122 PolarHBondContact O-N 3.4Å; T118-S122 VanDerWaalsContact O-N 3.09Å; I119-S122 PolarHBondContact O-N 2.99Å; I119-S122 PolarHBondContact O-OG 3.09Å; S122-H126 PolarHBondContact O-CD2 3.3Å |
| 123 | R | 48 | Very low | 60.7 | Low | 183 Ų | 183 | 104 Ų | 104 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -92.3 | -33.7 | -176.9 | -165.5 | 152.1 | 172.7 | 168.6 | -6.4 | 113.1 | I119 F120 W121 | I119-R123 PolarHBondContact O-N 2.72Å; I119-R123 VanDerWaalsContact O-N 3.1Å; F120-R123 PolarHBondContact O-N 3.25Å; W121-R123 PolarHBondContact O-N 3.35Å |
| 124 | N | 49.6 | Very low | 59.7 | Low | 105 Ų | 105 | 104.8 Ų | 104.8 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -83.1 | -15.4 | 179.6 | -74.6 | 7 | 0 | 0 | 0 | 114.2 | F120 | F120-N124 WeakPolarHBondContact CE1-ND2 3.46Å; F120-N124 PolarHBondContact O-N 2.98Å |
| 125 | G | 50.3 | Low | 59 | Low | 60 Ų | 60 | 110.8 Ų | 110.8 | 62% | 0.619 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -7.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | W121 | W121-G125 PolarHBondContact O-N 2.86Š|
| 126 | H | 51.3 | Low | 58.2 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 51% | 0.514 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -104.4 | -7.4 | -166.8 | -98.2 | -36.8 | 0 | 0 | 0 | 116.4 | S122 T130 | S122-H126 PolarHBondContact O-CD2 3.3Å; H126-T130 PolarHBondContact O-OG1 3.32Å |
| 127 | D | 50.4 | Low | 57.3 | Low | 137 Ų | 137 | 112.2 Ų | 112.2 | 73% | 0.733 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -15.2 | -171.6 | -74.3 | -14.9 | 0 | 0 | 0 | 114.3 | ||
| 128 | G | 54.3 | Low | 56.6 | Low | 56 Ų | 56 | 112.4 Ų | 112.4 | 58% | 0.577 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -35.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 129 | S | 54 | Low | 56.2 | Low | 63 Ų | 63 | 111.8 Ų | 111.8 | 44% | 0.441 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -81.1 | -32.7 | -171.4 | 163 | 0 | 0 | 0 | 0 | 113.1 | Q133 | S129-Q133 WeakPolarHBondContact O-CG 3.3Å; S129-Q133 PolarHBondContact O-N 3.15Å; S129-Q133 VanDerWaalsContact O-N 3.15Å |
| 130 | T | 56.5 | Low | 55.8 | Low | 68 Ų | 68 | 112.4 Ų | 112.4 | 42% | 0.417 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.4 | -34.3 | -176.3 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | H126 Q134 | H126-T130 PolarHBondContact O-OG1 3.32Å; T130-Q134 WeakPolarHBondContact O-CB 3.48Å; T130-Q134 PolarHBondContact O-N 2.91Å |
| 131 | D | 59.8 | Low | 55.7 | Low | 81 Ų | 81 | 112.7 Ų | 112.7 | 43% | 0.433 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -41.6 | 176 | -168.3 | 63.8 | 0 | 0 | 0 | 111.7 | Q134 R135 | D131-Q134 PolarHBondContact O-N 3.39Å; D131-R135 WeakPolarHBondContact O-CB 3.26Å; D131-R135 PolarHBondContact O-N 3.05Å; D131-R135 IonicContact OD2-CZ 3.5Å; D131-R135 IonicContact OD2-NE 2.9Å; D131-R135 IonicContact OD2-NH2 3.15Å; D131-R135 PolarHBondContact OD2-NH2 3.39Å |
| 132 | V | 59 | Low | 55.9 | Low | 101 Ų | 101 | 112 Ų | 112 | 61% | 0.612 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.6 | -44.6 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | R135 A136 | V132-R135 PolarHBondContact O-N 2.89Å; V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.9Å |
| 133 | Q | 56.2 | Low | 55.9 | Low | 142 Ų | 142 | 117.7 Ų | 117.7 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.4 | -36.6 | 176.7 | -71.5 | -152.3 | -27.1 | 0 | 0 | 112.5 | S129 W137 | S129-Q133 WeakPolarHBondContact O-CG 3.3Å; S129-Q133 PolarHBondContact O-N 3.15Å; S129-Q133 VanDerWaalsContact O-N 3.15Å; Q133-W137 VanDerWaalsContact O-CB 3.27Å; Q133-W137 WeakPolarHBondContact O-CB 3.49Å; Q133-W137 PolarHBondContact O-N 3.42Å |
| 134 | Q | 58.8 | Low | 56.1 | Low | 109 Ų | 109 | 114.2 Ų | 114.2 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.4 | -33.3 | 177.7 | -164.4 | 136.8 | -48.4 | 0 | 0 | 112.1 | T130 D131 R138 | T130-Q134 WeakPolarHBondContact O-CB 3.48Å; T130-Q134 PolarHBondContact O-N 2.91Å; D131-Q134 PolarHBondContact O-N 3.39Å; Q134-R138 WeakPolarHBondContact O-CB 3.44Å; Q134-R138 WeakPolarHBondContact O-CG 3.28Å; Q134-R138 PolarHBondContact O-N 2.96Å |
| 135 | R | 62.8 | Low | 56.3 | Low | 167 Ų | 167 | 115 Ų | 115 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.6 | -42.9 | 172.7 | -168 | 175.1 | -64.4 | -170.2 | 4.6 | 111.7 | D131 V132 R138 S139 | D131-R135 WeakPolarHBondContact O-CB 3.26Å; D131-R135 PolarHBondContact O-N 3.05Å; D131-R135 IonicContact OD2-CZ 3.5Å; D131-R135 IonicContact OD2-NE 2.9Å; D131-R135 IonicContact OD2-NH2 3.15Å; D131-R135 PolarHBondContact OD2-NH2 3.39Å; V132-R135 PolarHBondContact O-N 2.89Å; R135-R138 PolarHBondContact O-N 2.92Å; R135-S139 WeakPolarHBondContact O-CB 3.35Å; R135-S139 PolarHBondContact O-N 3.01Å |
| 136 | A | 58.4 | Low | 56.5 | Low | 55 Ų | 55 | 114.5 Ų | 114.5 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.3 | -40.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V132 S139 N140 | V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.9Å; A136-S139 PolarHBondContact O-N 3.44Å; A136-N140 PolarHBondContact O-N 2.89Å |
| 137 | W | 60.2 | Low | 56.3 | Low | 154 Ų | 154 | 114.9 Ų | 114.9 | 58% | 0.583 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -41.6 | 177.2 | -171.2 | 83.7 | 0 | 0 | 0 | 112.7 | Q133 S139 N140 R141 | Q133-W137 VanDerWaalsContact O-CB 3.27Å; Q133-W137 WeakPolarHBondContact O-CB 3.49Å; Q133-W137 PolarHBondContact O-N 3.42Å; W137-S139 VanDerWaalsContact C-N 3.33Å; W137-S139 PolarHBondContact O-N 2.91Å; W137-N140 PolarHBondContact O-N 3.28Å; W137-R141 PolarHBondContact O-N 3.42Å; W137-R141 VanDerWaalsContact O-N 3.08Å |
| 138 | R | 57.2 | Low | 56.2 | Low | 160 Ų | 160 | 118 Ų | 118 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -36.1 | 174.2 | -80 | -174 | -178.4 | 148.1 | -1 | 112.6 | Q134 R135 | Q134-R138 WeakPolarHBondContact O-CB 3.44Å; Q134-R138 WeakPolarHBondContact O-CG 3.28Å; Q134-R138 PolarHBondContact O-N 2.96Å; R135-R138 PolarHBondContact O-N 2.92Å |
| 139 | S | 58.1 | Low | 55.9 | Low | 78 Ų | 78 | 120 Ų | 120 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.7 | -45.3 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | R135 A136 W137 R141 R142 R143 | R135-S139 WeakPolarHBondContact O-CB 3.35Å; R135-S139 PolarHBondContact O-N 3.01Å; A136-S139 PolarHBondContact O-N 3.44Å; W137-S139 VanDerWaalsContact C-N 3.33Å; W137-S139 PolarHBondContact O-N 2.91Å; S139-R141 VanDerWaalsContact C-N 3.32Å; S139-R141 PolarHBondContact O-N 3.32Å; S139-R142 PolarHBondContact O-N 3.14Å; S139-R143 PolarHBondContact O-N 3.4Å |
| 140 | N | 60.5 | Low | 55.8 | Low | 103 Ų | 103 | 124 Ų | 124 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68 | -29.1 | 178.4 | -100.4 | -31.1 | 0 | 0 | 0 | 113.6 | A136 W137 R143 Q144 | A136-N140 PolarHBondContact O-N 2.89Å; W137-N140 PolarHBondContact O-N 3.28Å; N140-R143 PolarHBondContact O-N 3.26Å; N140-Q144 WeakPolarHBondContact O-CB 3.32Å; N140-Q144 WeakPolarHBondContact O-CG 3.35Å; N140-Q144 PolarHBondContact O-N 3.37Å |
| 141 | R | 57 | Low | 55.5 | Low | 142 Ų | 142 | 125.7 Ų | 125.7 | 54% | 0.536 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.8 | -41.9 | 177.2 | -165.4 | 168.5 | -169.5 | 172.6 | 3.7 | 112.5 | W137 S139 Q144 E145 | W137-R141 PolarHBondContact O-N 3.42Å; W137-R141 VanDerWaalsContact O-N 3.08Å; S139-R141 VanDerWaalsContact C-N 3.32Å; S139-R141 PolarHBondContact O-N 3.32Å; R141-Q144 PolarHBondContact O-N 3.1Å; R141-E145 PolarHBondContact O-N 3.32Å |
| 142 | R | 58.5 | Low | 55 | Low | 205 Ų | 205 | 130.3 Ų | 130.3 | 77% | 0.774 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.8 | -36.5 | 175.5 | -67 | -169.1 | -170.7 | -172.2 | 3.1 | 112.5 | S139 E145 | S139-R142 PolarHBondContact O-N 3.14Å; R142-E145 PolarHBondContact O-N 3.01Å |
| 143 | R | 53.2 | Low | 54.2 | Low | 192 Ų | 192 | 133.5 Ų | 133.5 | 73% | 0.725 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.8 | -33.9 | 175 | -111.3 | -172.7 | -174.6 | -173.6 | 2.2 | 113.4 | S139 N140 L147 | S139-R143 PolarHBondContact O-N 3.4Å; N140-R143 PolarHBondContact O-N 3.26Å; R143-L147 PolarHBondContact O-N 3.2Å |
| 144 | Q | 51.3 | Low | 54 | Low | 109 Ų | 109 | 132.7 Ų | 132.7 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74 | -29.5 | 177.6 | -79 | -86.1 | -22.5 | 0 | 0 | 113 | N140 R141 G146 L147 R148 | N140-Q144 WeakPolarHBondContact O-CB 3.32Å; N140-Q144 WeakPolarHBondContact O-CG 3.35Å; N140-Q144 PolarHBondContact O-N 3.37Å; R141-Q144 PolarHBondContact O-N 3.1Å; Q144-G146 VanDerWaalsContact C-N 3.31Å; Q144-L147 PolarHBondContact O-N 3.08Å; Q144-R148 WeakPolarHBondContact O-CB 3.39Å; Q144-R148 VanDerWaalsContact O-CG 3.28Å; Q144-R148 WeakPolarHBondContact O-CG 3.31Å; Q144-R148 PolarHBondContact O-N 3.39Å; Q144-R148 VanDerWaalsContact O-N 3.09Å |
| 145 | E | 54.3 | Low | 52.9 | Low | 121 Ų | 121 | 137.1 Ų | 137.1 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.6 | -31.1 | 174.5 | -76.6 | 161.4 | -173.2 | 0 | 0 | 112 | R141 R142 | R141-E145 PolarHBondContact O-N 3.32Å; R142-E145 PolarHBondContact O-N 3.01Å |
| 146 | G | 55.1 | Low | 52.2 | Low | 51 Ų | 51 | 139 Ų | 139 | 53% | 0.526 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -78 | -25.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q144 | Q144-G146 VanDerWaalsContact C-N 3.31Å |
| 147 | L | 47.3 | Very low | 51.5 | Low | 119 Ų | 119 | 148.1 Ų | 148.1 | 62% | 0.623 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -91.5 | -14.4 | 178 | -81.7 | 165.7 | 0 | 0 | 0 | 113.7 | R143 Q144 S149 | R143-L147 PolarHBondContact O-N 3.2Å; Q144-L147 PolarHBondContact O-N 3.08Å; L147-S149 VanDerWaalsContact C-N 3.26Å; L147-S149 PolarHBondContact O-N 3.39Å |
| 148 | R | 47.8 | Very low | 50.6 | Low | 201 Ų | 201 | 146.9 Ų | 146.9 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -12.1 | -178.2 | -94 | 178.6 | 176.9 | -158.3 | -2.8 | 114.7 | Q144 | Q144-R148 WeakPolarHBondContact O-CB 3.39Å; Q144-R148 VanDerWaalsContact O-CG 3.28Å; Q144-R148 WeakPolarHBondContact O-CG 3.31Å; Q144-R148 PolarHBondContact O-N 3.39Å; Q144-R148 VanDerWaalsContact O-N 3.09Å |
| 149 | S | 48.6 | Very low | 49.8 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -8.4 | 177.7 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | L147 | L147-S149 VanDerWaalsContact C-N 3.26Å; L147-S149 PolarHBondContact O-N 3.39Å |
| 150 | I | 50.4 | Low | 49.4 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | -10.5 | -170.3 | -61.2 | 178.4 | 0 | 0 | 0 | 114.9 | ||
| 151 | C | 50.2 | Low | 48.7 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | trans | -138.6 | 85.8 | -177.8 | -165.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 152 | M | 49.5 | Very low | 48.4 | Very low | 178 Ų | 178 | 154 Ų | 154 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -106.6 | 92.1 | 148.5 | -86.1 | -148.1 | 73.7 | 0 | 0 | 108.7 | ||||
| 153 | H | 42.5 | Very low | 47.9 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -146.2 | 118.2 | 147.6 | -95.3 | -74.2 | 0 | 0 | 0 | 110.7 | ||||
| 154 | T | 51.4 | Low | 48 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | 47.7 | 94 | 156.8 | 58.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 155 | K | 37.4 | Very low | 48.2 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | trans | -126.6 | 100.9 | 140.8 | -88 | -174.2 | 178 | 177.6 | 0 | 110 | R157 | K155-R157 PolarHBondContact O-N 2.66Å; K155-R157 VanDerWaalsContact O-N 3.15Å | ||
| 156 | K | 46.3 | Very low | 48.4 | Very low | 207 Ų | 207 | 146 Ų | 146 | 90% | 0.9 | 75% | 0.746 | S | S | * | * | trans | -52.6 | 114.7 | 161.2 | -83.9 | -177.7 | 174.9 | 176.7 | 0 | 107.7 | V158 | K156-V158 PolarHBondContact O-N 2.98Š| ||
| 157 | R | 44.2 | Very low | 48.5 | Very low | 246 Ų | 246 | 148 Ų | 148 | 93% | 0.928 | 75% | 0.748 | S | S | * | * | trans | -88.4 | 103 | 167.7 | -73.3 | -166.6 | -179.3 | -163.1 | 0.7 | 108.7 | K155 | K155-R157 PolarHBondContact O-N 2.66Å; K155-R157 VanDerWaalsContact O-N 3.15Å | ||
| 158 | V | 41.1 | Very low | 49.5 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -74.9 | 147.6 | 164.9 | 174 | 0 | 0 | 0 | 0 | 109.4 | K156 | K156-V158 PolarHBondContact O-N 2.98Š| ||
| 159 | S | 42 | Very low | 50.4 | Low | 95 Ų | 95 | 144.5 Ų | 144.5 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 89.1 | 91.6 | 164.9 | 75.8 | 0 | 0 | 0 | 0 | 117.7 | F161 | S159-F161 PolarHBondContact O-N 3.27Š| ||
| 160 | S | 49.6 | Very low | 51.5 | Low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -57.6 | 100.6 | 149.9 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | R162 | S160-R162 PolarHBondContact O-N 3.46Š| ||
| 161 | F | 45.2 | Very low | 52.6 | Low | 181 Ų | 181 | 141.6 Ų | 141.6 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | trans | -83.6 | 95.7 | 156.5 | -106.1 | -92.2 | 0 | 0 | 0 | 109.3 | S159 G163 | S159-F161 PolarHBondContact O-N 3.27Å; F161-G163 VanDerWaalsContact C-N 3.34Å; F161-G163 PolarHBondContact O-N 3.4Å | ||
| 162 | R | 49.6 | Very low | 54 | Low | 245 Ų | 245 | 140 Ų | 140 | 93% | 0.925 | 70% | 0.702 | S | S | * | * | trans | -95.9 | 39.8 | -178.7 | -159.9 | -176 | -169.8 | -134.3 | 4.5 | 111.3 | S160 | S160-R162 PolarHBondContact O-N 3.46Š| ||
| 163 | G | 48 | Very low | 55.5 | Low | 51 Ų | 51 | 135.3 Ų | 135.3 | 53% | 0.526 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -110.8 | -43.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F161 | F161-G163 VanDerWaalsContact C-N 3.34Å; F161-G163 PolarHBondContact O-N 3.4Å |
| 164 | N | 55.8 | Low | 57.1 | Low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -104.9 | 4.3 | -166.8 | -102 | 17.6 | 0 | 0 | 0 | 116.1 | I166 | N164-I166 PolarHBondContact O-N 3.45Š|
| 165 | K | 56.5 | Low | 58.8 | Low | 144 Ų | 144 | 134.8 Ų | 134.8 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -77 | -19.9 | -175.1 | -68.1 | -176.6 | -177.3 | 179 | 0 | 113.7 | K169 | K165-K169 WeakPolarHBondContact O-CB 3.3Å; K165-K169 VanDerWaalsContact O-CD 3.23Å; K165-K169 WeakPolarHBondContact O-CD 3.38Å; K165-K169 WeakPolarHBondContact O-CG 3.32Å |
| 166 | I | 58.5 | Low | 60.9 | Low | 125 Ų | 125 | 133.2 Ų | 133.2 | 64% | 0.641 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.2 | -55 | -177.3 | -60.9 | 170.9 | 0 | 0 | 0 | 109.4 | N164 L168 K169 D170 | N164-I166 PolarHBondContact O-N 3.45Å; I166-L168 PolarHBondContact O-N 3.27Å; I166-K169 WeakPolarHBondContact O-CB 3.29Å; I166-K169 PolarHBondContact O-N 2.93Å; I166-K169 VanDerWaalsContact O-N 3.12Å; I166-D170 PolarHBondContact O-N 3.12Å; I166-D170 VanDerWaalsContact O-N 3.09Å |
| 167 | V | 56.6 | Low | 62.7 | Low | 94 Ų | 94 | 127.7 Ų | 127.7 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.4 | -42.3 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | K169 D170 V171 | V167-K169 PolarHBondContact O-N 2.89Å; V167-D170 PolarHBondContact O-N 2.92Å; V167-V171 WeakPolarHBondContact O-CG2 3.39Å; V167-V171 PolarHBondContact O-N 2.9Å |
| 168 | L | 68.1 | Low | 64.7 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.9 | -36.3 | 179.2 | -175.5 | 63.6 | 0 | 0 | 0 | 112.3 | I166 D170 I172 | I166-L168 PolarHBondContact O-N 3.27Å; L168-D170 VanDerWaalsContact C-N 3.34Å; L168-I172 HydrophobicContact CD1-CD1 4.09Å; L168-I172 HydrophobicContact CD1-CG1 4.4Å; L168-I172 HydrophobicContact CG-CD1 3.83Å; L168-I172 WeakPolarHBondContact O-CB 3.33Å; L168-I172 WeakPolarHBondContact O-CD1 3.48Å; L168-I172 WeakPolarHBondContact O-CG1 3.43Å; L168-I172 PolarHBondContact O-N 2.91Å |
| 169 | K | 67.5 | Low | 66.6 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 59% | 0.591 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.7 | -39.3 | 175.6 | -77.4 | 174.5 | -175.4 | -175.3 | 0 | 111 | K165 I166 V167 I172 T173 | K165-K169 WeakPolarHBondContact O-CB 3.3Å; K165-K169 VanDerWaalsContact O-CD 3.23Å; K165-K169 WeakPolarHBondContact O-CD 3.38Å; K165-K169 WeakPolarHBondContact O-CG 3.32Å; I166-K169 WeakPolarHBondContact O-CB 3.29Å; I166-K169 PolarHBondContact O-N 2.93Å; I166-K169 VanDerWaalsContact O-N 3.12Å; V167-K169 PolarHBondContact O-N 2.89Å; K169-I172 PolarHBondContact O-N 3.45Å; K169-T173 WeakPolarHBondContact O-CB 3.38Å; K169-T173 VanDerWaalsContact O-CG2 3.26Å; K169-T173 WeakPolarHBondContact O-CG2 3.34Å; K169-T173 PolarHBondContact O-N 3.1Å; K169-T173 PolarHBondContact O-OG1 3.32Å |
| 170 | D | 71.9 | Confident | 68.8 | Low | 95 Ų | 95 | 116.4 Ų | 116.4 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.7 | -38.5 | 179.4 | -65.8 | -21.6 | 0 | 0 | 0 | 112 | I166 V167 L168 T173 L174 | I166-D170 PolarHBondContact O-N 3.12Å; I166-D170 VanDerWaalsContact O-N 3.09Å; V167-D170 PolarHBondContact O-N 2.92Å; L168-D170 VanDerWaalsContact C-N 3.34Å; D170-T173 VanDerWaalsContact CA-OG1 3.32Å; D170-T173 WeakPolarHBondContact CA-OG1 3.33Å; D170-T173 PolarHBondContact O-OG1 3.23Å; D170-L174 WeakPolarHBondContact O-CB 3.09Å; D170-L174 PolarHBondContact O-N 2.81Å |
| 171 | V | 73 | Confident | 70.6 | Confident | 89 Ų | 89 | 116.9 Ų | 116.9 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -40.7 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | V167 R175 | V167-V171 WeakPolarHBondContact O-CG2 3.39Å; V167-V171 PolarHBondContact O-N 2.9Å; V171-R175 WeakPolarHBondContact O-CB 3.31Å; V171-R175 PolarHBondContact O-N 2.83Å |
| 172 | I | 78.4 | Confident | 72.8 | Confident | 72 Ų | 72 | 111.8 Ų | 111.8 | 37% | 0.369 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.4 | -41 | 178.6 | -68.6 | 167.1 | 0 | 0 | 0 | 111.2 | L168 K169 R176 | L168-I172 HydrophobicContact CD1-CD1 4.09Å; L168-I172 HydrophobicContact CD1-CG1 4.4Å; L168-I172 HydrophobicContact CG-CD1 3.83Å; L168-I172 WeakPolarHBondContact O-CB 3.33Å; L168-I172 WeakPolarHBondContact O-CD1 3.48Å; L168-I172 WeakPolarHBondContact O-CG1 3.43Å; L168-I172 PolarHBondContact O-N 2.91Å; K169-I172 PolarHBondContact O-N 3.45Å; I172-R176 VanDerWaalsContact O-CG 3.32Å; I172-R176 WeakPolarHBondContact O-CG 3.42Å; I172-R176 PolarHBondContact O-N 2.84Å |
| 173 | T | 81.1 | Confident | 74.5 | Confident | 80 Ų | 80 | 107.6 Ų | 107.6 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 177.2 | 51 | 0 | 0 | 0 | 0 | 111.3 | K169 D170 R175 R176 H177 | K169-T173 WeakPolarHBondContact O-CB 3.38Å; K169-T173 VanDerWaalsContact O-CG2 3.26Å; K169-T173 WeakPolarHBondContact O-CG2 3.34Å; K169-T173 PolarHBondContact O-N 3.1Å; K169-T173 PolarHBondContact O-OG1 3.32Å; D170-T173 VanDerWaalsContact CA-OG1 3.32Å; D170-T173 WeakPolarHBondContact CA-OG1 3.33Å; D170-T173 PolarHBondContact O-OG1 3.23Å; T173-R175 PolarHBondContact O-N 2.96Å; T173-R176 PolarHBondContact O-N 3.41Å; T173-H177 WeakPolarHBondContact O-CB 3.34Å; T173-H177 PolarHBondContact O-N 3.35Å |
| 174 | L | 77.5 | Confident | 76.2 | Confident | 112 Ų | 112 | 107.4 Ų | 107.4 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 174.9 | -173.2 | 65.9 | 0 | 0 | 0 | 111.7 | D170 R176 H177 V178 | D170-L174 WeakPolarHBondContact O-CB 3.09Å; D170-L174 PolarHBondContact O-N 2.81Å; L174-R176 PolarHBondContact O-N 2.81Å; L174-H177 PolarHBondContact O-N 2.82Å; L174-V178 WeakPolarHBondContact O-CG2 3.29Å; L174-V178 PolarHBondContact O-N 3.03Å |
| 175 | R | 85.6 | Confident | 77.6 | Confident | 169 Ų | 169 | 108.3 Ų | 108.3 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.6 | -47.6 | 175 | -179.7 | -178.8 | 169.5 | -175.1 | 2.2 | 111.6 | V171 T173 H177 V178 E179 | V171-R175 WeakPolarHBondContact O-CB 3.31Å; V171-R175 PolarHBondContact O-N 2.83Å; T173-R175 PolarHBondContact O-N 2.96Å; R175-H177 VanDerWaalsContact C-N 3.32Å; R175-H177 PolarHBondContact O-N 2.9Å; R175-V178 PolarHBondContact O-N 2.85Å; R175-E179 IonicContact CZ-OE1 3.48Å; R175-E179 IonicContact NE-OE1 2.88Å; R175-E179 PolarHBondContact NE-OE1 3.45Å; R175-E179 IonicContact NH2-OE1 3.61Å; R175-E179 PolarHBondContact NH2-OE1 3.46Å; R175-E179 WeakPolarHBondContact O-CB 3.16Å; R175-E179 WeakPolarHBondContact O-CG 3.09Å; R175-E179 PolarHBondContact O-N 3.46Å |
| 176 | R | 82.8 | Confident | 78.9 | Confident | 170 Ų | 170 | 105.4 Ų | 105.4 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61 | -41.4 | 177.9 | -75.4 | 176.5 | 178.3 | -176.5 | 0.2 | 111.7 | I172 T173 L174 E179 T180 | I172-R176 VanDerWaalsContact O-CG 3.32Å; I172-R176 WeakPolarHBondContact O-CG 3.42Å; I172-R176 PolarHBondContact O-N 2.84Å; T173-R176 PolarHBondContact O-N 3.41Å; L174-R176 PolarHBondContact O-N 2.81Å; R176-E179 PolarHBondContact O-N 2.98Å; R176-T180 WeakPolarHBondContact O-CG2 3.37Å; R176-T180 PolarHBondContact O-N 3.41Å; R176-T180 PolarHBondContact O-OG1 3.46Å |
| 177 | H | 82.6 | Confident | 79.9 | Confident | 91 Ų | 91 | 108.2 Ų | 108.2 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 178.3 | 173.6 | -100.7 | 0 | 0 | 0 | 112.8 | T173 L174 R175 T180 K181 | T173-H177 WeakPolarHBondContact O-CB 3.34Å; T173-H177 PolarHBondContact O-N 3.35Å; L174-H177 PolarHBondContact O-N 2.82Å; R175-H177 VanDerWaalsContact C-N 3.32Å; R175-H177 PolarHBondContact O-N 2.9Å; H177-T180 PolarHBondContact O-OG1 3.42Å; H177-K181 VanDerWaalsContact CE1-CE 3.43Å; H177-K181 WeakPolarHBondContact CE1-CE 3.36Å; H177-K181 VanDerWaalsContact NE2-CE 3.28Å; H177-K181 WeakPolarHBondContact NE2-CE 3.38Å; H177-K181 PolarHBondContact O-N 3.47Å; H177-K181 VanDerWaalsContact O-N 3.1Å |
| 178 | V | 87 | Confident | 80.9 | Confident | 77 Ų | 77 | 111.2 Ų | 111.2 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L174 R175 T180 K181 V182 | L174-V178 WeakPolarHBondContact O-CG2 3.29Å; L174-V178 PolarHBondContact O-N 3.03Å; R175-V178 PolarHBondContact O-N 2.85Å; V178-T180 PolarHBondContact O-N 3.13Å; V178-K181 PolarHBondContact O-N 3.35Å; V178-V182 HydrophobicContact CG1-CG2 4.3Å; V178-V182 WeakPolarHBondContact O-CG2 3.22Å; V178-V182 PolarHBondContact O-N 2.59Å |
| 179 | E | 81.6 | Confident | 81.1 | Confident | 70 Ų | 70 | 115.2 Ų | 115.2 | 33% | 0.327 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 177.6 | -76.8 | -178.5 | -169.1 | 0 | 0 | 112.2 | R175 R176 V182 R183 | R175-E179 IonicContact CZ-OE1 3.48Å; R175-E179 IonicContact NE-OE1 2.88Å; R175-E179 PolarHBondContact NE-OE1 3.45Å; R175-E179 IonicContact NH2-OE1 3.61Å; R175-E179 PolarHBondContact NH2-OE1 3.46Å; R175-E179 WeakPolarHBondContact O-CB 3.16Å; R175-E179 WeakPolarHBondContact O-CG 3.09Å; R175-E179 PolarHBondContact O-N 3.46Å; R176-E179 PolarHBondContact O-N 2.98Å; E179-V182 PolarHBondContact O-N 3.38Å; E179-R183 WeakPolarHBondContact O-CB 3.5Å; E179-R183 VanDerWaalsContact O-CG 3.22Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.31Å |
| 180 | T | 88.6 | Confident | 81.5 | Confident | 84 Ų | 84 | 115.5 Ų | 115.5 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | R176 H177 V178 R183 A184 | R176-T180 WeakPolarHBondContact O-CG2 3.37Å; R176-T180 PolarHBondContact O-N 3.41Å; R176-T180 PolarHBondContact O-OG1 3.46Å; H177-T180 PolarHBondContact O-OG1 3.42Å; V178-T180 PolarHBondContact O-N 3.13Å; T180-R183 PolarHBondContact O-N 2.83Å; T180-A184 WeakPolarHBondContact O-CB 3.28Å; T180-A184 PolarHBondContact O-N 2.87Å |
| 181 | K | 87.6 | Confident | 81.5 | Confident | 122 Ų | 122 | 115.1 Ų | 115.1 | 53% | 0.53 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.9 | -79.6 | -165.2 | 173 | 179.9 | 0 | 112.4 | H177 V178 A184 K185 | H177-K181 VanDerWaalsContact CE1-CE 3.43Å; H177-K181 WeakPolarHBondContact CE1-CE 3.36Å; H177-K181 VanDerWaalsContact NE2-CE 3.28Å; H177-K181 WeakPolarHBondContact NE2-CE 3.38Å; H177-K181 PolarHBondContact O-N 3.47Å; H177-K181 VanDerWaalsContact O-N 3.1Å; V178-K181 PolarHBondContact O-N 3.35Å; K181-A184 PolarHBondContact O-N 2.95Å; K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 3.12Å |
| 182 | V | 90.2 | Very high | 81 | Confident | 74 Ų | 74 | 114.1 Ų | 114.1 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | V178 E179 A184 K185 I186 | V178-V182 HydrophobicContact CG1-CG2 4.3Å; V178-V182 WeakPolarHBondContact O-CG2 3.22Å; V178-V182 PolarHBondContact O-N 2.59Å; E179-V182 PolarHBondContact O-N 3.38Å; V182-A184 VanDerWaalsContact C-N 3.34Å; V182-A184 PolarHBondContact O-N 2.86Å; V182-K185 PolarHBondContact O-N 3.37Å; V182-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CG1 4.37Å; V182-I186 VanDerWaalsContact O-CG1 3.29Å; V182-I186 WeakPolarHBondContact O-CG1 3.35Å; V182-I186 PolarHBondContact O-N 2.9Å |
| 183 | R | 84.9 | Confident | 80.5 | Confident | 158 Ų | 158 | 114.8 Ų | 114.8 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -41 | 175.8 | -74.2 | 175.2 | -175.9 | -161.4 | 3.3 | 112.2 | E179 T180 I186 R187 | E179-R183 WeakPolarHBondContact O-CB 3.5Å; E179-R183 VanDerWaalsContact O-CG 3.22Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.31Å; T180-R183 PolarHBondContact O-N 2.83Å; R183-I186 PolarHBondContact O-N 3.45Å; R183-R187 WeakPolarHBondContact O-CB 3.28Å; R183-R187 WeakPolarHBondContact O-CG 3.36Å; R183-R187 PolarHBondContact O-N 3.36Å |
| 184 | A | 85.2 | Confident | 79.4 | Confident | 47 Ų | 47 | 118.5 Ų | 118.5 | 39% | 0.388 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T180 K181 V182 R187 K188 | T180-A184 WeakPolarHBondContact O-CB 3.28Å; T180-A184 PolarHBondContact O-N 2.87Å; K181-A184 PolarHBondContact O-N 2.95Å; V182-A184 VanDerWaalsContact C-N 3.34Å; V182-A184 PolarHBondContact O-N 2.86Å; A184-R187 PolarHBondContact O-N 3.22Å; A184-K188 WeakPolarHBondContact O-CB 3.47Å; A184-K188 WeakPolarHBondContact O-CG 3.42Å; A184-K188 PolarHBondContact O-N 3.03Å |
| 185 | K | 83.9 | Confident | 78.7 | Confident | 157 Ų | 157 | 117.9 Ų | 117.9 | 68% | 0.683 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 173.8 | -77 | -178.4 | 177.7 | -176.1 | 0 | 112.1 | K181 V182 K188 R189 | K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 3.12Å; V182-K185 PolarHBondContact O-N 3.37Å; K185-K188 PolarHBondContact O-N 2.88Å; K185-R189 VanDerWaalsContact O-CB 3.28Å; K185-R189 WeakPolarHBondContact O-CB 3.4Å; K185-R189 PolarHBondContact O-N 2.88Å |
| 186 | I | 84.2 | Confident | 77.3 | Confident | 83 Ų | 83 | 114.4 Ų | 114.4 | 43% | 0.426 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 176 | -68.2 | 166.9 | 0 | 0 | 0 | 110.7 | V182 R183 R189 K190 | V182-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CG1 4.37Å; V182-I186 VanDerWaalsContact O-CG1 3.29Å; V182-I186 WeakPolarHBondContact O-CG1 3.35Å; V182-I186 PolarHBondContact O-N 2.9Å; R183-I186 PolarHBondContact O-N 3.45Å; I186-R189 PolarHBondContact O-N 2.89Å; I186-K190 HydrophobicContact CG2-CD 4.25Å; I186-K190 HydrophobicContact CG2-CG 4.47Å; I186-K190 WeakPolarHBondContact O-CB 3.4Å; I186-K190 WeakPolarHBondContact O-CG 3.38Å; I186-K190 PolarHBondContact O-N 2.93Å |
| 187 | R | 80.1 | Confident | 76.1 | Confident | 184 Ų | 184 | 112.4 Ų | 112.4 | 69% | 0.694 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.3 | -48.1 | 176.2 | -74.8 | 178.4 | -179.6 | 179.1 | -1 | 111.5 | R183 A184 R189 K190 V191 | R183-R187 WeakPolarHBondContact O-CB 3.28Å; R183-R187 WeakPolarHBondContact O-CG 3.36Å; R183-R187 PolarHBondContact O-N 3.36Å; A184-R187 PolarHBondContact O-N 3.22Å; R187-R189 VanDerWaalsContact C-N 3.35Å; R187-R189 PolarHBondContact O-N 3.45Å; R187-K190 PolarHBondContact O-N 3.48Å; R187-V191 VanDerWaalsContact O-CG2 3.32Å; R187-V191 WeakPolarHBondContact O-CG2 3.37Å; R187-V191 PolarHBondContact O-N 3.4Å |
| 188 | K | 77.1 | Confident | 74.9 | Confident | 157 Ų | 157 | 114.8 Ų | 114.8 | 68% | 0.683 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.4 | -46.8 | 175.1 | -75.6 | -172.2 | 178 | -168.7 | 0 | 111.4 | A184 K185 K190 V191 T192 | A184-K188 WeakPolarHBondContact O-CB 3.47Å; A184-K188 WeakPolarHBondContact O-CG 3.42Å; A184-K188 PolarHBondContact O-N 3.03Å; K185-K188 PolarHBondContact O-N 2.88Å; K188-K190 PolarHBondContact O-N 3.17Å; K188-V191 PolarHBondContact O-N 3.43Å; K188-T192 WeakPolarHBondContact O-CG2 3.45Å; K188-T192 PolarHBondContact O-N 2.9Å; K188-T192 PolarHBondContact O-OG1 3.34Å |
| 189 | R | 73.2 | Confident | 73.4 | Confident | 193 Ų | 193 | 115.9 Ų | 115.9 | 73% | 0.728 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -42 | 177.8 | -164.5 | 176.8 | -174.6 | -163.5 | 1.8 | 112.3 | K185 I186 R187 T192 T193 | K185-R189 VanDerWaalsContact O-CB 3.28Å; K185-R189 WeakPolarHBondContact O-CB 3.4Å; K185-R189 PolarHBondContact O-N 2.88Å; I186-R189 PolarHBondContact O-N 2.89Å; R187-R189 VanDerWaalsContact C-N 3.35Å; R187-R189 PolarHBondContact O-N 3.45Å; R189-T192 WeakPolarHBondContact CA-OG1 3.35Å; R189-T192 PolarHBondContact O-N 2.87Å; R189-T192 PolarHBondContact O-OG1 2.95Å; R189-T193 WeakPolarHBondContact O-CB 3.34Å; R189-T193 PolarHBondContact O-N 3.25Å; R189-T193 PolarHBondContact O-OG1 3.04Å |
| 190 | K | 74.3 | Confident | 72.1 | Confident | 141 Ų | 141 | 120.2 Ų | 120.2 | 61% | 0.613 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.4 | -41 | 175.2 | -77.6 | -177 | 178.9 | -172.1 | 0 | 112 | I186 R187 K188 T193 K194 | I186-K190 HydrophobicContact CG2-CD 4.25Å; I186-K190 HydrophobicContact CG2-CG 4.47Å; I186-K190 WeakPolarHBondContact O-CB 3.4Å; I186-K190 WeakPolarHBondContact O-CG 3.38Å; I186-K190 PolarHBondContact O-N 2.93Å; R187-K190 PolarHBondContact O-N 3.48Å; K188-K190 PolarHBondContact O-N 3.17Å; K190-T193 PolarHBondContact O-N 3.15Å; K190-K194 WeakPolarHBondContact O-CG 3.32Å; K190-K194 PolarHBondContact O-N 3.06Å |
| 191 | V | 72.5 | Confident | 70.5 | Confident | 87 Ų | 87 | 121.9 Ų | 121.9 | 53% | 0.527 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -47.3 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | R187 K188 T193 K194 I195 | R187-V191 VanDerWaalsContact O-CG2 3.32Å; R187-V191 WeakPolarHBondContact O-CG2 3.37Å; R187-V191 PolarHBondContact O-N 3.4Å; K188-V191 PolarHBondContact O-N 3.43Å; V191-T193 VanDerWaalsContact C-N 3.33Å; V191-T193 PolarHBondContact O-N 3.47Å; V191-K194 WeakPolarHBondContact O-CB 3.49Å; V191-K194 PolarHBondContact O-N 3.25Å; V191-K194 VanDerWaalsContact O-N 3.15Å; V191-I195 HydrophobicContact CG1-CD1 3.91Å; V191-I195 WeakPolarHBondContact O-CG1 3.47Å; V191-I195 PolarHBondContact O-N 3.36Å |
| 192 | T | 61.9 | Low | 69.1 | Low | 69 Ų | 69 | 119.9 Ų | 119.9 | 42% | 0.423 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.4 | -36.5 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | K188 R189 K194 I195 N196 | K188-T192 WeakPolarHBondContact O-CG2 3.45Å; K188-T192 PolarHBondContact O-N 2.9Å; K188-T192 PolarHBondContact O-OG1 3.34Å; R189-T192 WeakPolarHBondContact CA-OG1 3.35Å; R189-T192 PolarHBondContact O-N 2.87Å; R189-T192 PolarHBondContact O-OG1 2.95Å; T192-K194 VanDerWaalsContact C-N 3.33Å; T192-K194 PolarHBondContact O-N 2.89Å; T192-I195 PolarHBondContact O-N 2.91Å; T192-N196 WeakPolarHBondContact O-CB 3.44Å; T192-N196 PolarHBondContact O-N 3.46Å; T192-N196 PolarHBondContact O-ND2 3.49Å |
| 193 | T | 67.7 | Low | 67.4 | Low | 85 Ų | 85 | 117.8 Ų | 117.8 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.6 | -35 | 174.8 | -60 | 0 | 0 | 0 | 0 | 111.8 | R189 K190 V191 H197 | R189-T193 WeakPolarHBondContact O-CB 3.34Å; R189-T193 PolarHBondContact O-N 3.25Å; R189-T193 PolarHBondContact O-OG1 3.04Å; K190-T193 PolarHBondContact O-N 3.15Å; V191-T193 VanDerWaalsContact C-N 3.33Å; V191-T193 PolarHBondContact O-N 3.47Å; T193-H197 PolarHBondContact O-N 3.41Å |
| 194 | K | 60 | Low | 66 | Low | 158 Ų | 158 | 118.4 Ų | 118.4 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.1 | -41.3 | 172.9 | -78.1 | -173 | 173.3 | -167.7 | 0 | 112.3 | K190 V191 T192 H197 H198 | K190-K194 WeakPolarHBondContact O-CG 3.32Å; K190-K194 PolarHBondContact O-N 3.06Å; V191-K194 WeakPolarHBondContact O-CB 3.49Å; V191-K194 PolarHBondContact O-N 3.25Å; V191-K194 VanDerWaalsContact O-N 3.15Å; T192-K194 VanDerWaalsContact C-N 3.33Å; T192-K194 PolarHBondContact O-N 2.89Å; K194-H197 WeakPolarHBondContact O-CB 3.46Å; K194-H197 PolarHBondContact O-N 3.49Å; K194-H197 VanDerWaalsContact O-N 3.14Å; K194-H198 PolarHBondContact O-N 3.11Å |
| 195 | I | 60.8 | Low | 64.6 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.5 | -46.5 | 174.4 | -65.6 | 166.4 | 0 | 0 | 0 | 110 | V191 T192 H197 H198 D199 | V191-I195 HydrophobicContact CG1-CD1 3.91Å; V191-I195 WeakPolarHBondContact O-CG1 3.47Å; V191-I195 PolarHBondContact O-N 3.36Å; T192-I195 PolarHBondContact O-N 2.91Å; I195-H197 PolarHBondContact O-N 3.49Å; I195-H198 PolarHBondContact O-N 3.29Å; I195-H198 VanDerWaalsContact O-N 3.11Å; I195-D199 PolarHBondContact O-N 3.29Å |
| 196 | N | 57.8 | Low | 63.2 | Low | 96 Ų | 96 | 125 Ų | 125 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -24.1 | 176 | -69.2 | -14 | 0 | 0 | 0 | 113.6 | T192 | T192-N196 WeakPolarHBondContact O-CB 3.44Å; T192-N196 PolarHBondContact O-N 3.46Å; T192-N196 PolarHBondContact O-ND2 3.49Å |
| 197 | H | 58.1 | Low | 62.1 | Low | 128 Ų | 128 | 124.8 Ų | 124.8 | 59% | 0.593 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.2 | -34.8 | 174.9 | -167.8 | 12.7 | 0 | 0 | 0 | 111.7 | T193 K194 I195 D199 K200 | T193-H197 PolarHBondContact O-N 3.41Å; K194-H197 WeakPolarHBondContact O-CB 3.46Å; K194-H197 PolarHBondContact O-N 3.49Å; K194-H197 VanDerWaalsContact O-N 3.14Å; I195-H197 PolarHBondContact O-N 3.49Å; H197-D199 VanDerWaalsContact C-N 3.32Å; H197-D199 PolarHBondContact O-N 3.34Å; H197-K200 WeakPolarHBondContact O-CB 3.48Å; H197-K200 PolarHBondContact O-N 3.4Å |
| 198 | H | 56.9 | Low | 61.6 | Low | 141 Ų | 141 | 118.1 Ų | 118.1 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.3 | -31.9 | 173.7 | -101.4 | -82.9 | 0 | 0 | 0 | 112.6 | K194 I195 K200 I201 | K194-H198 PolarHBondContact O-N 3.11Å; I195-H198 PolarHBondContact O-N 3.29Å; I195-H198 VanDerWaalsContact O-N 3.11Å; H198-K200 VanDerWaalsContact C-N 3.28Å; H198-K200 PolarHBondContact O-N 3.23Å; H198-I201 WeakPolarHBondContact O-CB 3.45Å; H198-I201 PolarHBondContact O-N 3.14Å |
| 199 | D | 55 | Low | 61.5 | Low | 101 Ų | 101 | 119.5 Ų | 119.5 | 54% | 0.54 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67 | -25.8 | 174.8 | -77.7 | -29.6 | 0 | 0 | 0 | 113.8 | I195 H197 I201 N202 G203 | I195-D199 PolarHBondContact O-N 3.29Å; H197-D199 VanDerWaalsContact C-N 3.32Å; H197-D199 PolarHBondContact O-N 3.34Å; D199-I201 PolarHBondContact O-N 3.15Å; D199-N202 PolarHBondContact O-N 3.18Å; D199-N202 VanDerWaalsContact O-N 3.15Å; D199-G203 PolarHBondContact O-N 3.36Å |
| 200 | K | 55 | Low | 61.7 | Low | 161 Ų | 161 | 117.5 Ų | 117.5 | 70% | 0.7 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.2 | -25.1 | 174.5 | -71.9 | -178 | 175.2 | -177.3 | 0 | 112.5 | H197 H198 N202 G203 | H197-K200 WeakPolarHBondContact O-CB 3.48Å; H197-K200 PolarHBondContact O-N 3.4Å; H198-K200 VanDerWaalsContact C-N 3.28Å; H198-K200 PolarHBondContact O-N 3.23Å; K200-N202 VanDerWaalsContact C-N 3.33Å; K200-G203 PolarHBondContact O-N 3.12Å |
| 201 | I | 55.3 | Low | 61.8 | Low | 119 Ų | 119 | 116.9 Ų | 116.9 | 61% | 0.61 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.2 | -34.4 | 174.7 | -58.8 | 177.1 | 0 | 0 | 0 | 110.4 | H198 D199 G203 | H198-I201 WeakPolarHBondContact O-CB 3.45Å; H198-I201 PolarHBondContact O-N 3.14Å; D199-I201 PolarHBondContact O-N 3.15Å; I201-G203 PolarHBondContact O-N 3.31Å |
| 202 | N | 57.1 | Low | 62.5 | Low | 79 Ų | 79 | 119.5 Ų | 119.5 | 42% | 0.422 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -75.9 | -12.6 | 173.6 | -153.1 | 10.1 | 0 | 0 | 0 | 113.2 | D199 K200 K204 R205 K206 | D199-N202 PolarHBondContact O-N 3.18Å; D199-N202 VanDerWaalsContact O-N 3.15Å; K200-N202 VanDerWaalsContact C-N 3.33Å; N202-K204 VanDerWaalsContact C-N 3.34Å; N202-K204 PolarHBondContact O-N 3.18Å; N202-R205 PolarHBondContact O-N 3.27Å; N202-K206 PolarHBondContact O-N 3.47Å |
| 203 | G | 54.2 | Low | 63.8 | Low | 30 Ų | 30 | 121.2 Ų | 121.2 | 31% | 0.309 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.5 | -43 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D199 K200 I201 R205 K206 T207 | D199-G203 PolarHBondContact O-N 3.36Å; K200-G203 PolarHBondContact O-N 3.12Å; I201-G203 PolarHBondContact O-N 3.31Å; G203-R205 VanDerWaalsContact C-N 3.32Å; G203-R205 PolarHBondContact O-N 3.35Å; G203-K206 PolarHBondContact O-N 2.95Å; G203-K206 VanDerWaalsContact O-N 3.12Å; G203-T207 PolarHBondContact O-N 3.31Å; G203-T207 PolarHBondContact O-OG1 3.35Å |
| 204 | K | 55.8 | Low | 64.7 | Low | 171 Ų | 171 | 123.5 Ų | 123.5 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.5 | -37.5 | 179.4 | -69.3 | -173.2 | 178.4 | -176.6 | 0 | 113 | N202 T207 A208 | N202-K204 VanDerWaalsContact C-N 3.34Å; N202-K204 PolarHBondContact O-N 3.18Å; K204-T207 WeakPolarHBondContact CA-OG1 3.43Å; K204-T207 PolarHBondContact O-N 2.83Å; K204-T207 PolarHBondContact O-OG1 3.03Å; K204-A208 WeakPolarHBondContact O-CB 3.48Å; K204-A208 PolarHBondContact O-N 3.13Å |
| 205 | R | 55.3 | Low | 66.1 | Low | 198 Ų | 198 | 122 Ų | 122 | 75% | 0.747 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.5 | -34.2 | 177.5 | -160.8 | 175.4 | -174.2 | 172 | 1.9 | 111.7 | N202 G203 R209 | N202-R205 PolarHBondContact O-N 3.27Å; G203-R205 VanDerWaalsContact C-N 3.32Å; G203-R205 PolarHBondContact O-N 3.35Å; R205-R209 WeakPolarHBondContact O-CB 3.4Å; R205-R209 PolarHBondContact O-N 3.45Å; R205-R209 VanDerWaalsContact O-N 3.13Å |
| 206 | K | 55.1 | Low | 67.5 | Low | 145 Ų | 145 | 126.3 Ų | 126.3 | 63% | 0.63 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.4 | -37 | 174.7 | -68.5 | -177.9 | 179.2 | 179.1 | 0 | 112.2 | N202 G203 K210 | N202-K206 PolarHBondContact O-N 3.47Å; G203-K206 PolarHBondContact O-N 2.95Å; G203-K206 VanDerWaalsContact O-N 3.12Å; K206-K210 PolarHBondContact O-N 3.03Å |
| 207 | T | 61.8 | Low | 69.1 | Low | 79 Ų | 79 | 124.5 Ų | 124.5 | 49% | 0.485 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.2 | -42.7 | 173.2 | 8.8 | 0 | 0 | 0 | 0 | 112.1 | G203 K204 R209 K210 Q211 | G203-T207 PolarHBondContact O-N 3.31Å; G203-T207 PolarHBondContact O-OG1 3.35Å; K204-T207 WeakPolarHBondContact CA-OG1 3.43Å; K204-T207 PolarHBondContact O-N 2.83Å; K204-T207 PolarHBondContact O-OG1 3.03Å; T207-R209 PolarHBondContact O-N 3.43Å; T207-K210 PolarHBondContact O-N 3.21Å; T207-Q211 WeakPolarHBondContact O-CB 3.48Å; T207-Q211 WeakPolarHBondContact O-CG 3.42Å; T207-Q211 PolarHBondContact O-N 3.03Å |
| 208 | A | 68.8 | Low | 70.6 | Confident | 44 Ų | 44 | 122.7 Ų | 122.7 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K204 Q211 K212 | K204-A208 WeakPolarHBondContact O-CB 3.48Å; K204-A208 PolarHBondContact O-N 3.13Å; A208-Q211 PolarHBondContact O-N 2.72Å; A208-K212 WeakPolarHBondContact O-CG 3.44Å; A208-K212 PolarHBondContact O-N 2.9Å |
| 209 | R | 74.1 | Confident | 72.2 | Confident | 186 Ų | 186 | 120 Ų | 120 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.8 | -40.2 | 175.6 | -166.9 | 177.5 | 177.4 | 174.5 | -0.3 | 111.9 | R205 T207 K212 M213 | R205-R209 WeakPolarHBondContact O-CB 3.4Å; R205-R209 PolarHBondContact O-N 3.45Å; R205-R209 VanDerWaalsContact O-N 3.13Å; T207-R209 PolarHBondContact O-N 3.43Å; R209-K212 PolarHBondContact O-N 2.9Å; R209-M213 HydrophobicContact CG-CE 4.22Å; R209-M213 WeakPolarHBondContact O-CG 3.43Å; R209-M213 PolarHBondContact O-N 3.48Å |
| 210 | K | 77.6 | Confident | 73.9 | Confident | 151 Ų | 151 | 120.5 Ų | 120.5 | 66% | 0.657 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.3 | -43.5 | 174.2 | -84.4 | -171.9 | 173.1 | -172.5 | 0 | 112.3 | K206 T207 K212 M213 F214 | K206-K210 PolarHBondContact O-N 3.03Å; T207-K210 PolarHBondContact O-N 3.21Å; K210-K212 PolarHBondContact O-N 3.36Å; K210-M213 HydrophobicContact CG-CE 4.27Å; K210-M213 PolarHBondContact O-N 3.24Å; K210-F214 WeakPolarHBondContact O-CB 3.48Å; K210-F214 PolarHBondContact O-N 3.02Å |
| 211 | Q | 77.6 | Confident | 75.4 | Confident | 128 Ų | 128 | 121.2 Ų | 121.2 | 60% | 0.598 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.1 | -42.6 | 175.8 | -77.4 | 176.2 | -21.9 | 0 | 0 | 111.8 | T207 A208 M213 F214 Q215 | T207-Q211 WeakPolarHBondContact O-CB 3.48Å; T207-Q211 WeakPolarHBondContact O-CG 3.42Å; T207-Q211 PolarHBondContact O-N 3.03Å; A208-Q211 PolarHBondContact O-N 2.72Å; Q211-M213 PolarHBondContact O-N 3.04Å; Q211-F214 PolarHBondContact O-N 2.92Å; Q211-Q215 WeakPolarHBondContact O-CG 3.42Å; Q211-Q215 PolarHBondContact O-N 3.29Å |
| 212 | K | 87.1 | Confident | 76.9 | Confident | 141 Ų | 141 | 123.1 Ų | 123.1 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.3 | -38.8 | 174.5 | -75.2 | -176.7 | 178.8 | -173 | 0 | 113 | A208 R209 K210 R216 | A208-K212 WeakPolarHBondContact O-CG 3.44Å; A208-K212 PolarHBondContact O-N 2.9Å; R209-K212 PolarHBondContact O-N 2.9Å; K210-K212 PolarHBondContact O-N 3.36Å; K212-R216 WeakPolarHBondContact O-CB 3.3Å; K212-R216 WeakPolarHBondContact O-CG 3.43Å; K212-R216 PolarHBondContact O-N 3.48Å |
| 213 | M | 89.1 | Confident | 78.2 | Confident | 106 Ų | 106 | 126.6 Ų | 126.6 | 52% | 0.522 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.4 | -38.5 | 175.3 | -72.8 | -174.9 | -65.6 | 0 | 0 | 111.9 | R209 K210 Q211 R216 A217 | R209-M213 HydrophobicContact CG-CE 4.22Å; R209-M213 WeakPolarHBondContact O-CG 3.43Å; R209-M213 PolarHBondContact O-N 3.48Å; K210-M213 HydrophobicContact CG-CE 4.27Å; K210-M213 PolarHBondContact O-N 3.24Å; Q211-M213 PolarHBondContact O-N 3.04Å; M213-R216 PolarHBondContact O-N 3.48Å; M213-A217 WeakPolarHBondContact O-CB 3.42Å; M213-A217 PolarHBondContact O-N 3.46Å |
| 214 | F | 87.2 | Confident | 79.7 | Confident | 133 Ų | 133 | 128 Ų | 128 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65 | -44.1 | 175.8 | -172.3 | -102.5 | 0 | 0 | 0 | 112 | K210 Q211 R216 A217 Q218 | K210-F214 WeakPolarHBondContact O-CB 3.48Å; K210-F214 PolarHBondContact O-N 3.02Å; Q211-F214 PolarHBondContact O-N 2.92Å; F214-R216 PolarHBondContact O-N 2.87Å; F214-A217 PolarHBondContact O-N 3.27Å; F214-Q218 HydrophobicContact CD1-CG 4.48Å; F214-Q218 HydrophobicContact CE1-CG 4.2Å; F214-Q218 HydrophobicContact CZ-CG 4.46Å; F214-Q218 WeakPolarHBondContact O-CG 3.49Å; F214-Q218 PolarHBondContact O-N 2.96Å |
| 215 | Q | 88.2 | Confident | 80.8 | Confident | 127 Ų | 127 | 124 Ų | 124 | 59% | 0.593 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.6 | -43.7 | 173.3 | -75.7 | 176.8 | -15 | 0 | 0 | 111.9 | Q211 A217 Q218 E219 | Q211-Q215 WeakPolarHBondContact O-CG 3.42Å; Q211-Q215 PolarHBondContact O-N 3.29Å; Q215-A217 VanDerWaalsContact C-N 3.35Å; Q215-A217 PolarHBondContact O-N 3.45Å; Q215-Q218 PolarHBondContact O-N 3.07Å; Q215-E219 WeakPolarHBondContact O-CB 3.49Å; Q215-E219 PolarHBondContact O-N 3.28Å |
| 216 | R | 90.6 | Very high | 82.2 | Confident | 189 Ų | 189 | 118.3 Ų | 118.3 | 71% | 0.713 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 175.4 | -76.9 | -178.9 | -179.5 | -169.1 | -1.6 | 112.9 | K212 M213 F214 E219 L220 | K212-R216 WeakPolarHBondContact O-CB 3.3Å; K212-R216 WeakPolarHBondContact O-CG 3.43Å; K212-R216 PolarHBondContact O-N 3.48Å; M213-R216 PolarHBondContact O-N 3.48Å; F214-R216 PolarHBondContact O-N 2.87Å; R216-E219 PolarHBondContact O-N 2.95Å; R216-L220 WeakPolarHBondContact O-CG 3.45Å; R216-L220 PolarHBondContact O-N 3.03Å |
| 217 | A | 90.4 | Very high | 83.1 | Confident | 57 Ų | 57 | 118.3 Ų | 118.3 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M213 F214 Q215 L220 R221 | M213-A217 WeakPolarHBondContact O-CB 3.42Å; M213-A217 PolarHBondContact O-N 3.46Å; F214-A217 PolarHBondContact O-N 3.27Å; Q215-A217 VanDerWaalsContact C-N 3.35Å; Q215-A217 PolarHBondContact O-N 3.45Å; A217-L220 PolarHBondContact O-N 3.1Å; A217-R221 WeakPolarHBondContact O-CB 3.36Å; A217-R221 PolarHBondContact O-N 3.38Å |
| 218 | Q | 91.1 | Very high | 83.6 | Confident | 91 Ų | 91 | 120.2 Ų | 120.2 | 43% | 0.425 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 174 | -74.5 | -174.1 | -30.3 | 0 | 0 | 112.3 | F214 Q215 R221 R222 | F214-Q218 HydrophobicContact CD1-CG 4.48Å; F214-Q218 HydrophobicContact CE1-CG 4.2Å; F214-Q218 HydrophobicContact CZ-CG 4.46Å; F214-Q218 WeakPolarHBondContact O-CG 3.49Å; F214-Q218 PolarHBondContact O-N 2.96Å; Q215-Q218 PolarHBondContact O-N 3.07Å; Q218-R221 PolarHBondContact O-N 3.01Å; Q218-R222 WeakPolarHBondContact O-CG 3.36Å; Q218-R222 PolarHBondContact O-N 3.47Å |
| 219 | E | 90.4 | Very high | 83.5 | Confident | 83 Ų | 83 | 122.6 Ų | 122.6 | 39% | 0.388 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.1 | -177.3 | 70.8 | -167.5 | 0 | 0 | 111.6 | Q215 R216 R221 R222 R223 | Q215-E219 WeakPolarHBondContact O-CB 3.49Å; Q215-E219 PolarHBondContact O-N 3.28Å; R216-E219 PolarHBondContact O-N 2.95Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.44Å; E219-R222 PolarHBondContact O-N 3.35Å; E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.47Å; E219-R223 IonicContact OE1-CZ 3.53Å; E219-R223 IonicContact OE1-NE 2.83Å; E219-R223 PolarHBondContact OE1-NE 2.93Å; E219-R223 IonicContact OE1-NH2 3.32Å; E219-R223 PolarHBondContact OE1-NH2 2.96Å |
| 220 | L | 90.7 | Very high | 83.3 | Confident | 113 Ų | 113 | 119.2 Ų | 119.2 | 59% | 0.592 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.4 | -39.1 | 175.6 | -74.8 | 171.7 | 0 | 0 | 0 | 112.1 | R216 A217 R223 A224 | R216-L220 WeakPolarHBondContact O-CG 3.45Å; R216-L220 PolarHBondContact O-N 3.03Å; A217-L220 PolarHBondContact O-N 3.1Å; L220-R223 PolarHBondContact O-N 3.23Å; L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 2.93Å |
| 221 | R | 86.5 | Confident | 82.9 | Confident | 176 Ų | 176 | 118.4 Ų | 118.4 | 66% | 0.664 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 175.4 | -176 | 177.2 | 174.6 | 164 | 4.4 | 111.7 | A217 Q218 E219 R223 A224 E225 | A217-R221 WeakPolarHBondContact O-CB 3.36Å; A217-R221 PolarHBondContact O-N 3.38Å; Q218-R221 PolarHBondContact O-N 3.01Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.44Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 2.98Å; R221-A224 PolarHBondContact O-N 3.28Å; R221-E225 WeakPolarHBondContact CG-OE1 3.3Å; R221-E225 IonicContact NE-OE1 3.29Å; R221-E225 PolarHBondContact NE-OE1 3.49Å; R221-E225 VanDerWaalsContact NE-OE1 3.15Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 3.3Å |
| 222 | R | 85.6 | Confident | 82.4 | Confident | 159 Ų | 159 | 114.1 Ų | 114.1 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 175.5 | -73.1 | 178.4 | 179 | 178.5 | -1.8 | 111.7 | Q218 E219 A224 E225 D226 | Q218-R222 WeakPolarHBondContact O-CG 3.36Å; Q218-R222 PolarHBondContact O-N 3.47Å; E219-R222 PolarHBondContact O-N 3.35Å; R222-A224 PolarHBondContact O-N 3.47Å; R222-E225 PolarHBondContact O-N 3.26Å; R222-D226 WeakPolarHBondContact O-CB 3.36Å; R222-D226 VanDerWaalsContact O-CG 3.31Å; R222-D226 PolarHBondContact O-N 3.02Å |
| 223 | R | 85.7 | Confident | 81.6 | Confident | 152 Ų | 152 | 110.8 Ų | 110.8 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -38.4 | 175.9 | -71.2 | -178.8 | -167.7 | 176.6 | 2.8 | 113.2 | E219 L220 R221 D226 Y227 | E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.47Å; E219-R223 IonicContact OE1-CZ 3.53Å; E219-R223 IonicContact OE1-NE 2.83Å; E219-R223 PolarHBondContact OE1-NE 2.93Å; E219-R223 IonicContact OE1-NH2 3.32Å; E219-R223 PolarHBondContact OE1-NH2 2.96Å; L220-R223 PolarHBondContact O-N 3.23Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 2.98Å; R223-D226 PolarHBondContact O-N 3.42Å; R223-Y227 VanDerWaalsContact O-CB 3.3Å; R223-Y227 WeakPolarHBondContact O-CB 3.49Å; R223-Y227 PolarHBondContact O-N 2.94Å |
| 224 | A | 84.2 | Confident | 80.6 | Confident | 60 Ų | 60 | 111.2 Ų | 111.2 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L220 R221 R222 Y227 H228 | L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 2.93Å; R221-A224 PolarHBondContact O-N 3.28Å; R222-A224 PolarHBondContact O-N 3.47Å; A224-Y227 PolarHBondContact O-N 2.97Å; A224-H228 WeakPolarHBondContact O-CB 3.47Å; A224-H228 PolarHBondContact O-N 3.24Å |
| 225 | E | 80.8 | Confident | 79.5 | Confident | 85 Ų | 85 | 109.1 Ų | 109.1 | 40% | 0.397 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.6 | -73.1 | 171.9 | -165.6 | 0 | 0 | 111.4 | R221 R222 H228 K229 | R221-E225 WeakPolarHBondContact CG-OE1 3.3Å; R221-E225 IonicContact NE-OE1 3.29Å; R221-E225 PolarHBondContact NE-OE1 3.49Å; R221-E225 VanDerWaalsContact NE-OE1 3.15Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 3.3Å; R222-E225 PolarHBondContact O-N 3.26Å; E225-H228 PolarHBondContact O-N 3.45Å; E225-K229 WeakPolarHBondContact O-CB 3.46Å; E225-K229 VanDerWaalsContact O-CG 3.29Å; E225-K229 WeakPolarHBondContact O-CG 3.38Å; E225-K229 PolarHBondContact O-N 3.34Å |
| 226 | D | 82.9 | Confident | 78.5 | Confident | 79 Ų | 79 | 104.8 Ų | 104.8 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.8 | -38 | 177.8 | -68.3 | -22.5 | 0 | 0 | 0 | 112.2 | R222 R223 H228 K229 C230 | R222-D226 WeakPolarHBondContact O-CB 3.36Å; R222-D226 VanDerWaalsContact O-CG 3.31Å; R222-D226 PolarHBondContact O-N 3.02Å; R223-D226 PolarHBondContact O-N 3.42Å; D226-H228 VanDerWaalsContact C-N 3.32Å; D226-H228 PolarHBondContact O-N 2.84Å; D226-K229 WeakPolarHBondContact O-CB 3.49Å; D226-K229 PolarHBondContact O-N 3.48Å; D226-K229 IonicContact OD1-NZ 2.98Å; D226-K229 PolarHBondContact OD1-NZ 3.15Å; D226-C230 WeakPolarHBondContact O-CB 3.49Å; D226-C230 PolarHBondContact O-N 2.88Å; D226-C230 PolarHBondContact O-SG 2.93Å |
| 227 | Y | 75.6 | Confident | 77.3 | Confident | 146 Ų | 146 | 101 Ų | 101 | 57% | 0.573 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 170.8 | -177.2 | -100.3 | 0 | 0 | 0 | 112 | R223 A224 C230 K231 | R223-Y227 VanDerWaalsContact O-CB 3.3Å; R223-Y227 WeakPolarHBondContact O-CB 3.49Å; R223-Y227 PolarHBondContact O-N 2.94Å; A224-Y227 PolarHBondContact O-N 2.97Å; Y227-C230 PolarHBondContact O-N 2.88Å; Y227-K231 HydrophobicContact CD1-CD 4.28Å; Y227-K231 HydrophobicContact CE1-CD 3.65Å; Y227-K231 VanDerWaalsContact CE1-CE 3.46Å; Y227-K231 HydrophobicContact CE1-CG 4.33Å; Y227-K231 PolarHBondContact O-N 3.3Å; Y227-K231 WeakPolarHBondContact OH-CE 3.4Å; Y227-K231 PolarHBondContact OH-NZ 3.31Å |
| 228 | H | 70.9 | Confident | 76.3 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 175.1 | -171.8 | 66 | 0 | 0 | 0 | 111.9 | A224 E225 D226 C230 K231 I232 | A224-H228 WeakPolarHBondContact O-CB 3.47Å; A224-H228 PolarHBondContact O-N 3.24Å; E225-H228 PolarHBondContact O-N 3.45Å; D226-H228 VanDerWaalsContact C-N 3.32Å; D226-H228 PolarHBondContact O-N 2.84Å; H228-C230 VanDerWaalsContact C-N 3.31Å; H228-C230 PolarHBondContact O-N 2.8Å; H228-K231 PolarHBondContact O-N 3Å; H228-I232 VanDerWaalsContact NE2-CD1 3.33Å; H228-I232 WeakPolarHBondContact NE2-CD1 3.4Å; H228-I232 PolarHBondContact O-N 3.09Å |
| 229 | K | 67.7 | Low | 75.2 | Confident | 95 Ų | 95 | 104.5 Ų | 104.5 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 174.4 | -77.5 | 175.7 | -161.7 | 156.8 | 0 | 112.7 | E225 D226 R237 | E225-K229 WeakPolarHBondContact O-CB 3.46Å; E225-K229 VanDerWaalsContact O-CG 3.29Å; E225-K229 WeakPolarHBondContact O-CG 3.38Å; E225-K229 PolarHBondContact O-N 3.34Å; D226-K229 WeakPolarHBondContact O-CB 3.49Å; D226-K229 PolarHBondContact O-N 3.48Å; D226-K229 IonicContact OD1-NZ 2.98Å; D226-K229 PolarHBondContact OD1-NZ 3.15Å; K229-R237 VanDerWaalsContact CA-NH2 3.26Å; K229-R237 PolarHBondContact O-NH2 2.99Å |
| 230 | C | 69.1 | Low | 74.2 | Confident | 114 Ų | 114 | 105 Ų | 105 | 77% | 0.77 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.6 | -27.2 | 178 | -68.7 | 0 | 0 | 0 | 0 | 113.1 | D226 Y227 H228 | D226-C230 WeakPolarHBondContact O-CB 3.49Å; D226-C230 PolarHBondContact O-N 2.88Å; D226-C230 PolarHBondContact O-SG 2.93Å; Y227-C230 PolarHBondContact O-N 2.88Å; H228-C230 VanDerWaalsContact C-N 3.31Å; H228-C230 PolarHBondContact O-N 2.8Å |
| 231 | K | 69.9 | Low | 73.1 | Confident | 135 Ų | 135 | 103.1 Ų | 103.1 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -76.3 | -25.1 | 175 | -87.9 | -166.6 | 166.9 | 180 | 0 | 114.1 | Y227 H228 P233 | Y227-K231 HydrophobicContact CD1-CD 4.28Å; Y227-K231 HydrophobicContact CE1-CD 3.65Å; Y227-K231 VanDerWaalsContact CE1-CE 3.46Å; Y227-K231 HydrophobicContact CE1-CG 4.33Å; Y227-K231 PolarHBondContact O-N 3.3Å; Y227-K231 WeakPolarHBondContact OH-CE 3.4Å; Y227-K231 PolarHBondContact OH-NZ 3.31Å; H228-K231 PolarHBondContact O-N 3Å; K231-P233 WeakPolarHBondContact O-CD 3.28Å |
| 232 | I | 66.8 | Low | 72.5 | Confident | 37 Ų | 37 | 99.6 Ų | 99.6 | 19% | 0.19 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -91.5 | 114.1 | 177.3 | -61.1 | 174.9 | 0 | 0 | 0 | 108.6 | H228 A236 R237 | H228-I232 VanDerWaalsContact NE2-CD1 3.33Å; H228-I232 WeakPolarHBondContact NE2-CD1 3.4Å; H228-I232 PolarHBondContact O-N 3.09Å; I232-A236 HydrophobicContact CG2-CB 3.93Å; I232-R237 HydrophobicContact CG2-CB 4.16Å |
| 233 | P | 71.2 | Confident | 71.9 | Confident | 72 Ų | 72 | 100.7 Ų | 100.7 | 47% | 0.468 | 52% | 0.521 | S | S | . | . | trans | -60.6 | 145.4 | 176.3 | 21.3 | -28.8 | 0 | 0 | 0 | 110.5 | K231 S235 A236 R237 | K231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-S235 PolarHBondContact O-N 3.28Å; P233-A236 HydrophobicContact CG-CB 3.93Å; P233-A236 PolarHBondContact O-N 3.35Å; P233-R237 PolarHBondContact O-N 3.45Å | ||
| 234 | P | 66.3 | Low | 71.3 | Confident | 114 Ų | 114 | 97.5 Ų | 97.5 | 74% | 0.74 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.5 | -31.2 | -174.8 | -27.5 | 33.9 | 0 | 0 | 0 | 114.5 | R237 K238 | P234-R237 PolarHBondContact O-N 3.25Å; P234-K238 PolarHBondContact O-N 2.92Å |
| 235 | S | 65.7 | Low | 70.7 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 63% | 0.629 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | 176 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | P233 R237 K238 A239 | P233-S235 PolarHBondContact O-N 3.28Å; S235-R237 VanDerWaalsContact C-N 3.29Å; S235-R237 PolarHBondContact O-N 3.46Å; S235-K238 PolarHBondContact O-N 2.97Å; S235-A239 PolarHBondContact O-N 3.43Å |
| 236 | A | 66.1 | Low | 70 | Confident | 36 Ų | 36 | 105.9 Ų | 105.9 | 30% | 0.298 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.2 | -28.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I232 P233 A239 L240 | I232-A236 HydrophobicContact CG2-CB 3.93Å; P233-A236 HydrophobicContact CG-CB 3.93Å; P233-A236 PolarHBondContact O-N 3.35Å; A236-A239 PolarHBondContact O-N 3.45Å; A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 PolarHBondContact O-N 2.88Å |
| 237 | R | 66.5 | Low | 69.1 | Low | 110 Ų | 110 | 103.6 Ų | 103.6 | 42% | 0.415 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 174.4 | -161 | -175.5 | -70.4 | 178.3 | 5.8 | 112 | K229 I232 P233 P234 S235 C241 | K229-R237 VanDerWaalsContact CA-NH2 3.26Å; K229-R237 PolarHBondContact O-NH2 2.99Å; I232-R237 HydrophobicContact CG2-CB 4.16Å; P233-R237 PolarHBondContact O-N 3.45Å; P234-R237 PolarHBondContact O-N 3.25Å; S235-R237 VanDerWaalsContact C-N 3.29Å; S235-R237 PolarHBondContact O-N 3.46Å; R237-C241 WeakPolarHBondContact O-CB 3.46Å; R237-C241 PolarHBondContact O-N 3.46Å; R237-C241 PolarHBondContact O-SG 2.9Å; R237-C241 VanDerWaalsContact O-SG 3.39Å |
| 238 | K | 67.9 | Low | 68.5 | Low | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 173.9 | -80.5 | -174.6 | 177.4 | -179.5 | 0 | 111.8 | P234 S235 C241 N242 | P234-K238 PolarHBondContact O-N 2.92Å; S235-K238 PolarHBondContact O-N 2.97Å; K238-C241 PolarHBondContact O-N 2.98Å; K238-N242 WeakPolarHBondContact O-CB 3.02Å; K238-N242 VanDerWaalsContact O-CG 3.32Å; K238-N242 PolarHBondContact O-N 3.29Å |
| 239 | A | 68.8 | Low | 68.1 | Low | 63 Ų | 63 | 95 Ų | 95 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S235 A236 N242 W243 | S235-A239 PolarHBondContact O-N 3.43Å; A236-A239 PolarHBondContact O-N 3.45Å; A239-N242 PolarHBondContact O-N 3.29Å; A239-W243 WeakPolarHBondContact O-CB 3.43Å; A239-W243 PolarHBondContact O-N 3.42Å |
| 240 | L | 68.3 | Low | 67.6 | Low | 92 Ų | 92 | 97.2 Ų | 97.2 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.7 | -99.2 | 151.6 | 0 | 0 | 0 | 112.8 | A236 N242 W243 V244 | A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 PolarHBondContact O-N 2.88Å; L240-N242 VanDerWaalsContact C-N 3.33Å; L240-N242 PolarHBondContact O-N 3.21Å; L240-W243 PolarHBondContact O-N 2.88Å; L240-V244 WeakPolarHBondContact O-CB 3.29Å; L240-V244 VanDerWaalsContact O-CG2 3.3Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.31Å |
| 241 | C | 67.6 | Low | 66.8 | Low | 74 Ų | 74 | 99 Ų | 99 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 176.8 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | R237 K238 R245 | R237-C241 WeakPolarHBondContact O-CB 3.46Å; R237-C241 PolarHBondContact O-N 3.46Å; R237-C241 PolarHBondContact O-SG 2.9Å; R237-C241 VanDerWaalsContact O-SG 3.39Å; K238-C241 PolarHBondContact O-N 2.98Å; C241-R245 WeakPolarHBondContact O-CB 3.49Å; C241-R245 WeakPolarHBondContact O-CG 3.37Å; C241-R245 PolarHBondContact O-N 2.88Å |
| 242 | N | 73.9 | Confident | 65.9 | Low | 103 Ų | 103 | 102 Ų | 102 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -41.8 | 175.1 | -75.6 | -7.7 | 0 | 0 | 0 | 111.4 | K238 A239 L240 R245 M246 | K238-N242 WeakPolarHBondContact O-CB 3.02Å; K238-N242 VanDerWaalsContact O-CG 3.32Å; K238-N242 PolarHBondContact O-N 3.29Å; A239-N242 PolarHBondContact O-N 3.29Å; L240-N242 VanDerWaalsContact C-N 3.33Å; L240-N242 PolarHBondContact O-N 3.21Å; N242-R245 PolarHBondContact O-N 3.46Å; N242-M246 WeakPolarHBondContact O-CB 3.48Å; N242-M246 VanDerWaalsContact O-CG 3.31Å; N242-M246 WeakPolarHBondContact O-CG 3.43Å; N242-M246 PolarHBondContact O-N 2.95Å |
| 243 | W | 73.2 | Confident | 65.3 | Low | 181 Ų | 181 | 108 Ų | 108 | 69% | 0.686 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -43.4 | 176.1 | -173.5 | 76.4 | 0 | 0 | 0 | 112.3 | A239 L240 R245 M246 A247 | A239-W243 WeakPolarHBondContact O-CB 3.43Å; A239-W243 PolarHBondContact O-N 3.42Å; L240-W243 PolarHBondContact O-N 2.88Å; W243-R245 VanDerWaalsContact C-N 3.34Å; W243-R245 PolarHBondContact O-N 3.21Å; W243-M246 PolarHBondContact O-N 2.87Å; W243-A247 WeakPolarHBondContact O-CB 3.33Å; W243-A247 PolarHBondContact O-N 3.28Å |
| 244 | V | 74.9 | Confident | 64.4 | Low | 85 Ų | 85 | 109.8 Ų | 109.8 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -37.9 | 174.8 | 172 | 0 | 0 | 0 | 0 | 111.6 | L240 A248 | L240-V244 WeakPolarHBondContact O-CB 3.29Å; L240-V244 VanDerWaalsContact O-CG2 3.3Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.31Å; V244-A248 VanDerWaalsContact O-CB 3.28Å; V244-A248 WeakPolarHBondContact O-CB 3.46Å; V244-A248 PolarHBondContact O-N 3.3Å |
| 245 | R | 70.7 | Confident | 63.9 | Low | 195 Ų | 195 | 107.5 Ų | 107.5 | 74% | 0.736 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.3 | -39.9 | 173.5 | -81.2 | -177 | 73.1 | 150 | 0.9 | 112.5 | C241 N242 W243 A248 A249 | C241-R245 WeakPolarHBondContact O-CB 3.49Å; C241-R245 WeakPolarHBondContact O-CG 3.37Å; C241-R245 PolarHBondContact O-N 2.88Å; N242-R245 PolarHBondContact O-N 3.46Å; W243-R245 VanDerWaalsContact C-N 3.34Å; W243-R245 PolarHBondContact O-N 3.21Å; R245-A248 PolarHBondContact O-N 3.02Å; R245-A249 WeakPolarHBondContact O-CB 3.47Å; R245-A249 PolarHBondContact O-N 3.38Å |
| 246 | M | 65.4 | Low | 63.3 | Low | 126 Ų | 126 | 106.8 Ų | 106.8 | 62% | 0.621 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.8 | -46.4 | 176.4 | -73.4 | -60.2 | -62.3 | 0 | 0 | 111.3 | N242 W243 A248 A249 E250 | N242-M246 WeakPolarHBondContact O-CB 3.48Å; N242-M246 VanDerWaalsContact O-CG 3.31Å; N242-M246 WeakPolarHBondContact O-CG 3.43Å; N242-M246 PolarHBondContact O-N 2.95Å; W243-M246 PolarHBondContact O-N 2.87Å; M246-A248 VanDerWaalsContact C-N 3.29Å; M246-A248 PolarHBondContact O-N 3.43Å; M246-A249 CarbonylContact O-C 3.6Å; M246-A249 WeakPolarHBondContact O-CB 3.31Å; M246-A249 PolarHBondContact O-N 2.98Å; M246-A249 VanDerWaalsContact O-N 3.09Å; M246-E250 VanDerWaalsContact O-CB 3.3Å; M246-E250 WeakPolarHBondContact O-CB 3.49Å; M246-E250 PolarHBondContact O-N 3.39Å |
| 247 | A | 64.2 | Low | 62.8 | Low | 31 Ų | 31 | 111.7 Ų | 111.7 | 26% | 0.256 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.6 | -36.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W243 H251 | W243-A247 WeakPolarHBondContact O-CB 3.33Å; W243-A247 PolarHBondContact O-N 3.28Å; A247-H251 WeakPolarHBondContact O-CB 3.45Å; A247-H251 PolarHBondContact O-N 3.47Å |
| 248 | A | 62.8 | Low | 61.8 | Low | 50 Ų | 50 | 111.4 Ų | 111.4 | 41% | 0.413 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.1 | -34.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | V244 R245 M246 R252 | V244-A248 VanDerWaalsContact O-CB 3.28Å; V244-A248 WeakPolarHBondContact O-CB 3.46Å; V244-A248 PolarHBondContact O-N 3.3Å; R245-A248 PolarHBondContact O-N 3.02Å; M246-A248 VanDerWaalsContact C-N 3.29Å; M246-A248 PolarHBondContact O-N 3.43Å; A248-R252 WeakPolarHBondContact O-CG 3.4Å; A248-R252 PolarHBondContact O-N 2.9Å |
| 249 | A | 63.2 | Low | 60.7 | Low | 35 Ų | 35 | 113.2 Ų | 113.2 | 29% | 0.289 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.5 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | R245 M246 R252 H253 | R245-A249 WeakPolarHBondContact O-CB 3.47Å; R245-A249 PolarHBondContact O-N 3.38Å; M246-A249 CarbonylContact O-C 3.6Å; M246-A249 WeakPolarHBondContact O-CB 3.31Å; M246-A249 PolarHBondContact O-N 2.98Å; M246-A249 VanDerWaalsContact O-N 3.09Å; A249-R252 WeakPolarHBondContact O-CB 3.39Å; A249-R252 PolarHBondContact O-N 3.38Å; A249-R252 VanDerWaalsContact O-N 3.1Å; A249-H253 PolarHBondContact O-CD2 2.94Å; A249-H253 PolarHBondContact O-N 2.98Å |
| 250 | E | 56.2 | Low | 59.4 | Low | 141 Ų | 141 | 121.2 Ų | 121.2 | 66% | 0.659 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.4 | -42 | 177.8 | -164.6 | 167.3 | -163.5 | 0 | 0 | 111.7 | M246 R252 H253 S254 | M246-E250 VanDerWaalsContact O-CB 3.3Å; M246-E250 WeakPolarHBondContact O-CB 3.49Å; M246-E250 PolarHBondContact O-N 3.39Å; E250-R252 VanDerWaalsContact C-N 3.28Å; E250-R252 PolarHBondContact O-N 3.29Å; E250-H253 PolarHBondContact O-N 3.41Å; E250-S254 PolarHBondContact O-N 3.27Å |
| 251 | H | 53.4 | Low | 58.7 | Low | 152 Ų | 152 | 120.2 Ų | 120.2 | 70% | 0.704 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.7 | -33.9 | 169.9 | -106.4 | -72.6 | 0 | 0 | 0 | 113.2 | A247 | A247-H251 WeakPolarHBondContact O-CB 3.45Å; A247-H251 PolarHBondContact O-N 3.47Å |
| 252 | R | 51.8 | Low | 57.3 | Low | 197 Ų | 197 | 127.3 Ų | 127.3 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.4 | -39.9 | 176.2 | -77.5 | 179.1 | 179.3 | -171.7 | -0.4 | 112 | A248 A249 E250 S254 S255 | A248-R252 WeakPolarHBondContact O-CG 3.4Å; A248-R252 PolarHBondContact O-N 2.9Å; A249-R252 WeakPolarHBondContact O-CB 3.39Å; A249-R252 PolarHBondContact O-N 3.38Å; A249-R252 VanDerWaalsContact O-N 3.1Å; E250-R252 VanDerWaalsContact C-N 3.28Å; E250-R252 PolarHBondContact O-N 3.29Å; R252-S254 VanDerWaalsContact C-N 3.33Å; R252-S254 PolarHBondContact O-N 3.5Å; R252-S255 PolarHBondContact O-N 3.42Å; R252-S255 PolarHBondContact O-OG 2.98Å |
| 253 | H | 52.7 | Low | 55.7 | Low | 163 Ų | 163 | 130 Ų | 130 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.9 | -30.6 | 176.7 | -71 | -61.3 | 0 | 0 | 0 | 113.1 | A249 E250 S255 | A249-H253 PolarHBondContact O-CD2 2.94Å; A249-H253 PolarHBondContact O-N 2.98Å; E250-H253 PolarHBondContact O-N 3.41Å; H253-S255 VanDerWaalsContact C-N 3.28Å; H253-S255 PolarHBondContact O-N 2.98Å |
| 254 | S | 53.5 | Low | 54 | Low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -8 | 174.5 | -165.8 | 0 | 0 | 0 | 0 | 114.3 | E250 R252 | E250-S254 PolarHBondContact O-N 3.27Å; R252-S254 VanDerWaalsContact C-N 3.33Å; R252-S254 PolarHBondContact O-N 3.5Å |
| 255 | S | 54.9 | Low | 52.9 | Low | 67 Ų | 67 | 132.4 Ų | 132.4 | 47% | 0.469 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | -2.3 | -176.1 | 69.3 | 0 | 0 | 0 | 0 | 114.9 | R252 H253 L257 | R252-S255 PolarHBondContact O-N 3.42Å; R252-S255 PolarHBondContact O-OG 2.98Å; H253-S255 VanDerWaalsContact C-N 3.28Å; H253-S255 PolarHBondContact O-N 2.98Å; S255-L257 PolarHBondContact O-N 3.24Å |
| 256 | G | 54.2 | Low | 52 | Low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.8 | 13.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 257 | L | 54.8 | Low | 51.3 | Low | 139 Ų | 139 | 129.3 Ų | 129.3 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 134.7 | -178.2 | -79.8 | 164.2 | 0 | 0 | 0 | 111.6 | S255 | S255-L257 PolarHBondContact O-N 3.24Š|
| 258 | P | 45.3 | Very low | 50.5 | Low | 105 Ų | 105 | 135.1 Ų | 135.1 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 134.1 | -176 | 26.9 | -32.1 | 0 | 0 | 0 | 111.5 | ||
| 259 | Y | 45.7 | Very low | 49.7 | Very low | 196 Ų | 196 | 140.4 Ų | 140.4 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 121.5 | 177.4 | 173.4 | -107.3 | 0 | 0 | 0 | 111 | P261 | Y259-P261 HydrophobicContact CD1-CG 4.26Å; Y259-P261 HydrophobicContact CE1-CB 3.71Å; Y259-P261 HydrophobicContact CE1-CG 3.65Å |
| 260 | W | 41.1 | Very low | 48.8 | Very low | 230 Ų | 230 | 147.4 Ų | 147.4 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | trans | -111.5 | 109.1 | 164.4 | -84.4 | 94.9 | 0 | 0 | 0 | 109.2 | Y262 | W260-Y262 PolarHBondContact O-N 3.02Š| ||
| 261 | P | 53.6 | Low | 48.3 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 47% | 0.468 | 77% | 0.765 | S | S | . | * | trans | -75.3 | 114.5 | 170.5 | 27.2 | -23.8 | 0 | 0 | 0 | 108.5 | Y259 L263 | Y259-P261 HydrophobicContact CD1-CG 4.26Å; Y259-P261 HydrophobicContact CE1-CB 3.71Å; Y259-P261 HydrophobicContact CE1-CG 3.65Å; P261-L263 PolarHBondContact O-N 3.29Å | ||
| 262 | Y | 37.5 | Very low | 47.9 | Very low | 223 Ų | 223 | 147.5 Ų | 147.5 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -75.9 | 108.5 | 162.4 | -132.5 | -94 | 0 | 0 | 0 | 107.4 | W260 S264 | W260-Y262 PolarHBondContact O-N 3.02Å; Y262-S264 PolarHBondContact O-N 3.42Å | ||
| 263 | L | 40.9 | Very low | 47.6 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -65.6 | 117.9 | 163.9 | -82.3 | 157.6 | 0 | 0 | 0 | 108.7 | P261 | P261-L263 PolarHBondContact O-N 3.29Š| ||
| 264 | S | 36.8 | Very low | 47.1 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 100% | 1.287 | 77% | 0.773 | S | S | * | * | trans | -165.7 | 0 | 150.6 | -69.6 | 0 | 0 | 0 | 0 | 108.8 | Y262 | Y262-S264 PolarHBondContact O-N 3.42Š|
Retrieved 264 of 264 residues in 258.1 ms
(Link to these results)