| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.1 | Very low | 45 | Very low | 239 Ų | 239 | 147 Ų | 147 | 100% | 1.177 | 81% | 0.81 | S | S | * | * | 0 | 142.8 | 0 | -77.4 | -70.3 | 166 | 0 | 0 | 107.7 | |||||
| 2 | P | 50.5 | Low | 44.9 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | -106.7 | 171.6 | -120.8 | 38.6 | -35.3 | 0 | 0 | 0 | 115.9 | |||||
| 3 | A | 44.9 | Very low | 45.4 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 47.4 | 127.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 4 | D | 42.6 | Very low | 45.1 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | -160.5 | 144.5 | 103.4 | -128.6 | -62 | 0 | 0 | 0 | 113.8 | M6 | D4-M6 WeakPolarHBondContact OD1-CE 3.45Š| |||
| 5 | T | 48.5 | Very low | 44.9 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | trans | -76 | 162.1 | 175.3 | 37.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 6 | M | 50.2 | Low | 44.5 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | 147.1 | 131 | 109.8 | 71 | -159.5 | 90.4 | 0 | 0 | 115.2 | D4 | D4-M6 WeakPolarHBondContact OD1-CE 3.45Š| |||
| 7 | E | 45.6 | Very low | 44.5 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -53.5 | 152.2 | 174.7 | -78.6 | 166.6 | 52.7 | 0 | 0 | 114.5 | ||||
| 8 | K | 47.5 | Very low | 45.3 | Very low | 207 Ų | 207 | 134.8 Ų | 134.8 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | trans | -145.2 | 109.7 | 142.5 | -160 | 166.5 | -178 | -178.2 | 0 | 111.8 | ||||
| 9 | Q | 44.6 | Very low | 45.1 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -66.8 | 143.3 | 161.1 | -66.4 | 169.8 | -9.2 | 0 | 0 | 110 | ||||
| 10 | T | 46.2 | Very low | 45 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -148.6 | 146.9 | 147 | -146.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 11 | A | 40.7 | Very low | 44.8 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | trans | -86.4 | 159.4 | -156.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 12 | S | 44.1 | Very low | 45.3 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -44.1 | 174.8 | 153.9 | -46.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 13 | P | 50.8 | Low | 45 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | cis | -149.2 | 175 | 24.1 | 40.2 | -18.2 | 0 | 0 | 0 | 116.9 | ||||
| 14 | I | 41.3 | Very low | 45.2 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -162.6 | 139.2 | 134 | -158.1 | 71.9 | 0 | 0 | 0 | 110.6 | ||||
| 15 | A | 42.7 | Very low | 46.1 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -83.8 | 157.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 16 | G | 38.3 | Very low | 46 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 173.7 | 92.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 17 | A | 45 | Very low | 46 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -90.8 | -174 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 18 | P | 59 | Low | 46.4 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -110.3 | 168 | -98.7 | 34.7 | -18.6 | 0 | 0 | 0 | 113.2 | |||||
| 19 | A | 40.9 | Very low | 46.7 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -145.6 | 123.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 20 | N | 42.9 | Very low | 47.2 | Very low | 170 Ų | 170 | 123 Ų | 123 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -83.1 | 149.3 | 175.2 | -173.6 | 26.2 | 0 | 0 | 0 | 110.4 | ||||
| 21 | G | 40 | Very low | 47.6 | Very low | 73 Ų | 73 | 118.9 Ų | 118.9 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -177.5 | 76.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 22 | S | 45 | Very low | 48.3 | Very low | 107 Ų | 107 | 117.6 Ų | 117.6 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 7.2 | 162.7 | 153.2 | -159.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 23 | H | 44.4 | Very low | 48.7 | Very low | 168 Ų | 168 | 118.8 Ų | 118.8 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | trans | 93.1 | 119.9 | 168.1 | -93.7 | -101.7 | 0 | 0 | 0 | 116.6 | ||||
| 24 | T | 49.9 | Very low | 48.9 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | cis | -160.5 | 165 | 32.4 | 24.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 25 | P | 60.1 | Low | 49.6 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | trans | -86.9 | 177.4 | -175 | 37.5 | -35.5 | 0 | 0 | 0 | 114.1 | ||||
| 26 | D | 46.5 | Very low | 50.4 | Low | 139 Ų | 139 | 123.9 Ų | 123.9 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | 96.7 | 86 | 171.9 | -75 | -70.7 | 0 | 0 | 0 | 119.6 | ||||
| 27 | K | 51 | Low | 51.4 | Low | 166 Ų | 166 | 122.8 Ų | 122.8 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | -155.6 | 111.7 | 129.3 | -154.1 | 75.5 | 72.2 | -170.4 | 0 | 113 | K29 | K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 HydrophobicContact CB-CG 4.29Å; K27-K29 HydrophobicContact CG-CD 4.25Å; K27-K29 HydrophobicContact CG-CG 3.49Å; K27-K29 VanDerWaalsContact CG-CG 3.49Å; K27-K29 PolarHBondContact O-N 3.42Å | |||
| 28 | P | 53.5 | Low | 52.5 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -81.6 | 79.7 | 167.7 | 33.5 | -30.3 | 0 | 0 | 0 | 109 | N30 | P28-N30 PolarHBondContact O-N 3.12Š| ||
| 29 | K | 54.6 | Low | 53.5 | Low | 156 Ų | 156 | 122.6 Ų | 122.6 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -6.3 | 173.2 | -68.5 | -164 | 177.8 | 178.5 | 0 | 114 | K27 | K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 HydrophobicContact CB-CG 4.29Å; K27-K29 HydrophobicContact CG-CD 4.25Å; K27-K29 HydrophobicContact CG-CG 3.49Å; K27-K29 VanDerWaalsContact CG-CG 3.49Å; K27-K29 PolarHBondContact O-N 3.42Å |
| 30 | N | 55.2 | Low | 55.7 | Low | 123 Ų | 123 | 121.4 Ų | 121.4 | 66% | 0.658 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -1.9 | -169 | -61 | -14.9 | 0 | 0 | 0 | 115.1 | P28 H34 | P28-N30 PolarHBondContact O-N 3.12Å; N30-H34 WeakPolarHBondContact O-CB 3.47Å; N30-H34 PolarHBondContact O-N 2.75Å |
| 31 | A | 53.5 | Low | 57.9 | Low | 59 Ų | 59 | 118.6 Ų | 118.6 | 49% | 0.488 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -75.6 | -34.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | R35 | A31-R35 WeakPolarHBondContact O-CG 3.49Å; A31-R35 PolarHBondContact O-N 2.89Å |
| 32 | S | 54.8 | Low | 60.3 | Low | 63 Ų | 63 | 120.6 Ų | 120.6 | 44% | 0.441 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -76.8 | -34.6 | -179.4 | 87.5 | 0 | 0 | 0 | 0 | 112.3 | R35 K36 | S32-R35 PolarHBondContact O-N 2.66Å; S32-K36 VanDerWaalsContact O-CD 3.24Å; S32-K36 WeakPolarHBondContact O-CD 3.25Å; S32-K36 WeakPolarHBondContact O-CG 3.42Å; S32-K36 PolarHBondContact O-N 3.34Å; S32-K36 VanDerWaalsContact O-N 3.1Å |
| 33 | E | 53.2 | Low | 62.7 | Low | 136 Ų | 136 | 118.5 Ų | 118.5 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.8 | -36.3 | 178.5 | -146.7 | 176.5 | 122.5 | 0 | 0 | 111.6 | K36 S37 | E33-K36 PolarHBondContact O-N 2.85Å; E33-S37 WeakPolarHBondContact O-CB 3.47Å; E33-S37 PolarHBondContact O-N 2.88Å; E33-S37 PolarHBondContact O-OG 2.72Å |
| 34 | H | 54.5 | Low | 65 | Low | 140 Ų | 140 | 118.2 Ų | 118.2 | 65% | 0.648 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.2 | -37.1 | 173.5 | -159.3 | 77.7 | 0 | 0 | 0 | 112.4 | N30 S37 S38 | N30-H34 WeakPolarHBondContact O-CB 3.47Å; N30-H34 PolarHBondContact O-N 2.75Å; H34-S37 WeakPolarHBondContact CA-OG 3.32Å; H34-S37 PolarHBondContact O-OG 3.46Å; H34-S38 VanDerWaalsContact O-CB 3.22Å; H34-S38 WeakPolarHBondContact O-CB 3.4Å; H34-S38 PolarHBondContact O-N 3.27Å |
| 35 | R | 57.4 | Low | 67.2 | Low | 207 Ų | 207 | 120.9 Ų | 120.9 | 78% | 0.781 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.4 | -31.8 | 174.2 | -73.7 | -177.1 | -178.8 | -174.7 | 1.5 | 113.1 | A31 S32 | A31-R35 WeakPolarHBondContact O-CG 3.49Å; A31-R35 PolarHBondContact O-N 2.89Å; S32-R35 PolarHBondContact O-N 2.66Å |
| 36 | K | 58.4 | Low | 69 | Low | 154 Ų | 154 | 122.3 Ų | 122.3 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.9 | -32.9 | 176.1 | -67.7 | 161.2 | -175.8 | 174.5 | 0 | 112.4 | S32 E33 P40 | S32-K36 VanDerWaalsContact O-CD 3.24Å; S32-K36 WeakPolarHBondContact O-CD 3.25Å; S32-K36 WeakPolarHBondContact O-CG 3.42Å; S32-K36 PolarHBondContact O-N 3.34Å; S32-K36 VanDerWaalsContact O-N 3.1Å; E33-K36 PolarHBondContact O-N 2.85Å; K36-P40 WeakPolarHBondContact O-CD 3.41Å |
| 37 | S | 60.5 | Low | 71.4 | Confident | 56 Ų | 56 | 120.4 Ų | 120.4 | 39% | 0.392 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -90.8 | -14.8 | 178.9 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | E33 H34 K39 P40 I41 | E33-S37 WeakPolarHBondContact O-CB 3.47Å; E33-S37 PolarHBondContact O-N 2.88Å; E33-S37 PolarHBondContact O-OG 2.72Å; H34-S37 WeakPolarHBondContact CA-OG 3.32Å; H34-S37 PolarHBondContact O-OG 3.46Å; S37-K39 PolarHBondContact O-N 2.83Å; S37-P40 WeakPolarHBondContact O-CD 3.41Å; S37-P40 WeakPolarHBondContact O-CG 3.4Å; S37-I41 WeakPolarHBondContact O-CG2 3.38Å; S37-I41 PolarHBondContact O-N 3.23Å |
| 38 | S | 66.3 | Low | 73.6 | Confident | 52 Ų | 52 | 115.3 Ų | 115.3 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.3 | -36 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 113.7 | H34 I41 M42 | H34-S38 VanDerWaalsContact O-CB 3.22Å; H34-S38 WeakPolarHBondContact O-CB 3.4Å; H34-S38 PolarHBondContact O-N 3.27Å; S38-I41 WeakPolarHBondContact O-CG2 3.48Å; S38-M42 WeakPolarHBondContact O-CB 3.26Å; S38-M42 WeakPolarHBondContact O-CG 3.46Å; S38-M42 PolarHBondContact O-N 3.16Å; S38-M42 VanDerWaalsContact O-N 3.11Å |
| 39 | K | 81.4 | Confident | 75.7 | Confident | 169 Ų | 169 | 119.3 Ų | 119.3 | 74% | 0.735 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66 | -50.3 | 176.2 | -65.9 | -177.6 | 179.7 | -178.2 | 0 | 113 | S37 I41 M42 E43 | S37-K39 PolarHBondContact O-N 2.83Å; K39-I41 PolarHBondContact O-N 3.4Å; K39-M42 PolarHBondContact O-N 3.45Å; K39-E43 PolarHBondContact O-N 3.12Å |
| 40 | P | 87.1 | Confident | 77.7 | Confident | 80 Ų | 80 | 114.8 Ų | 114.8 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.4 | -33.5 | 178.8 | 20.9 | -30.9 | 0 | 0 | 0 | 113.5 | K36 S37 K44 | K36-P40 WeakPolarHBondContact O-CD 3.41Å; S37-P40 WeakPolarHBondContact O-CD 3.41Å; S37-P40 WeakPolarHBondContact O-CG 3.4Å; P40-K44 WeakPolarHBondContact O-CB 3.39Å; P40-K44 PolarHBondContact O-N 2.92Å |
| 41 | I | 87.6 | Confident | 79.7 | Confident | 112 Ų | 112 | 112.7 Ų | 112.7 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.8 | -39 | 174.7 | -169.7 | 169.7 | 0 | 0 | 0 | 112.2 | S37 S38 K39 K44 R45 | S37-I41 WeakPolarHBondContact O-CG2 3.38Å; S37-I41 PolarHBondContact O-N 3.23Å; S38-I41 WeakPolarHBondContact O-CG2 3.48Å; K39-I41 PolarHBondContact O-N 3.4Å; I41-K44 PolarHBondContact O-N 2.78Å; I41-R45 PolarHBondContact O-N 3.28Å |
| 42 | M | 92.2 | Very high | 81.8 | Confident | 114 Ų | 114 | 115 Ų | 115 | 56% | 0.562 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 176.5 | -72.9 | -63.5 | -69.2 | 0 | 0 | 112 | S38 K39 R45 R46 | S38-M42 WeakPolarHBondContact O-CB 3.26Å; S38-M42 WeakPolarHBondContact O-CG 3.46Å; S38-M42 PolarHBondContact O-N 3.16Å; S38-M42 VanDerWaalsContact O-N 3.11Å; K39-M42 PolarHBondContact O-N 3.45Å; M42-R45 PolarHBondContact O-N 3.11Å; M42-R46 PolarHBondContact O-N 3.16Å |
| 43 | E | 93.7 | Very high | 83.8 | Confident | 64 Ų | 64 | 114.9 Ų | 114.9 | 30% | 0.299 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 175.4 | 175.5 | 58 | -173.4 | 0 | 0 | 111.7 | K39 R45 R46 R47 | K39-E43 PolarHBondContact O-N 3.12Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.21Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH1 3.24Å; E43-R46 PolarHBondContact OE1-NH1 2.9Å; E43-R46 WeakPolarHBondContact OE2-CD 3.47Å; E43-R46 IonicContact OE2-CZ 3.99Å; E43-R46 IonicContact OE2-NH1 3.08Å; E43-R46 PolarHBondContact OE2-NH1 3.39Å; E43-R46 VanDerWaalsContact OE2-NH1 3.08Å; E43-R47 HydrophobicContact CG-CG 4.45Å; E43-R47 WeakPolarHBondContact O-CB 3.35Å; E43-R47 WeakPolarHBondContact O-CG 3.38Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R47 WeakPolarHBondContact OE1-CG 3.49Å; E43-R47 IonicContact OE1-CZ 3.58Å; E43-R47 IonicContact OE1-NE 2.78Å; E43-R47 PolarHBondContact OE1-NE 2.94Å; E43-R47 IonicContact OE1-NH2 3.57Å |
| 44 | K | 94.6 | Very high | 85.8 | Confident | 161 Ų | 161 | 109.5 Ų | 109.5 | 70% | 0.7 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.8 | -44.8 | 171.9 | -173.8 | 176.3 | -178.7 | 178.1 | 0 | 111.3 | P40 I41 R47 A48 | P40-K44 WeakPolarHBondContact O-CB 3.39Å; P40-K44 PolarHBondContact O-N 2.92Å; I41-K44 PolarHBondContact O-N 2.78Å; K44-R47 PolarHBondContact O-N 3.3Å; K44-A48 PolarHBondContact O-N 3.36Å |
| 45 | R | 94.9 | Very high | 87.8 | Confident | 177 Ų | 177 | 106 Ų | 106 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 176.3 | -169.4 | 176.2 | -176.1 | -179 | 1.5 | 112.1 | I41 M42 E43 A48 R49 | I41-R45 PolarHBondContact O-N 3.28Å; M42-R45 PolarHBondContact O-N 3.11Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.21Å; R45-A48 PolarHBondContact O-N 2.95Å; R45-R49 WeakPolarHBondContact O-CG 3.4Å; R45-R49 PolarHBondContact O-N 3Å; R45-R49 VanDerWaalsContact O-N 3.09Å |
| 46 | R | 97.4 | Very high | 89.6 | Confident | 136 Ų | 136 | 101.1 Ų | 101.1 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 174.8 | 177.4 | 176.7 | 164.2 | -83 | -5.4 | 111.4 | M42 E43 A48 R49 I50 | M42-R46 PolarHBondContact O-N 3.16Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH1 3.24Å; E43-R46 PolarHBondContact OE1-NH1 2.9Å; E43-R46 WeakPolarHBondContact OE2-CD 3.47Å; E43-R46 IonicContact OE2-CZ 3.99Å; E43-R46 IonicContact OE2-NH1 3.08Å; E43-R46 PolarHBondContact OE2-NH1 3.39Å; E43-R46 VanDerWaalsContact OE2-NH1 3.08Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-A48 PolarHBondContact O-N 3.28Å; R46-R49 WeakPolarHBondContact O-CB 3.19Å; R46-R49 PolarHBondContact O-N 3.49Å; R46-I50 HydrophobicContact CG-CD1 4.02Å; R46-I50 WeakPolarHBondContact O-CG1 3.43Å; R46-I50 PolarHBondContact O-N 3.39Å |
| 47 | R | 97.3 | Very high | 91.4 | Very high | 100 Ų | 100 | 96 Ų | 96 | 38% | 0.377 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.8 | -71.4 | 176.4 | -178.2 | -169.9 | -2.5 | 112.4 | E43 K44 R49 I50 N51 | E43-R47 HydrophobicContact CG-CG 4.45Å; E43-R47 WeakPolarHBondContact O-CB 3.35Å; E43-R47 WeakPolarHBondContact O-CG 3.38Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R47 WeakPolarHBondContact OE1-CG 3.49Å; E43-R47 IonicContact OE1-CZ 3.58Å; E43-R47 IonicContact OE1-NE 2.78Å; E43-R47 PolarHBondContact OE1-NE 2.94Å; E43-R47 IonicContact OE1-NH2 3.57Å; K44-R47 PolarHBondContact O-N 3.3Å; R47-R49 PolarHBondContact O-N 3.44Å; R47-I50 PolarHBondContact O-N 3.07Å; R47-N51 PolarHBondContact O-N 3.2Å |
| 48 | A | 97.1 | Very high | 93.1 | Very high | 59 Ų | 59 | 95.3 Ų | 95.3 | 49% | 0.488 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K44 R45 R46 I50 N51 E52 | K44-A48 PolarHBondContact O-N 3.36Å; R45-A48 PolarHBondContact O-N 2.95Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-A48 PolarHBondContact O-N 3.28Å; A48-I50 PolarHBondContact O-N 3.15Å; A48-N51 PolarHBondContact O-N 3.33Å; A48-E52 WeakPolarHBondContact O-CB 3.38Å; A48-E52 PolarHBondContact O-N 2.88Å |
| 49 | R | 98 | Very high | 94.4 | Very high | 188 Ų | 188 | 97.1 Ų | 97.1 | 71% | 0.709 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | 176.2 | -70 | 176.5 | 65 | -158.8 | -1.3 | 112.9 | R45 R46 R47 E52 S53 | R45-R49 WeakPolarHBondContact O-CG 3.4Å; R45-R49 PolarHBondContact O-N 3Å; R45-R49 VanDerWaalsContact O-N 3.09Å; R46-R49 WeakPolarHBondContact O-CB 3.19Å; R46-R49 PolarHBondContact O-N 3.49Å; R47-R49 PolarHBondContact O-N 3.44Å; R49-E52 PolarHBondContact O-N 3.42Å; R49-S53 PolarHBondContact O-N 2.98Å; R49-S53 PolarHBondContact O-OG 3.49Å |
| 50 | I | 96.8 | Very high | 95.1 | Very high | 61 Ų | 61 | 94.6 Ų | 94.6 | 31% | 0.313 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 178.3 | -68.9 | 167.8 | 0 | 0 | 0 | 110.5 | R46 R47 A48 E52 S53 L54 | R46-I50 HydrophobicContact CG-CD1 4.02Å; R46-I50 WeakPolarHBondContact O-CG1 3.43Å; R46-I50 PolarHBondContact O-N 3.39Å; R47-I50 PolarHBondContact O-N 3.07Å; A48-I50 PolarHBondContact O-N 3.15Å; I50-E52 VanDerWaalsContact C-N 3.34Å; I50-E52 PolarHBondContact O-N 2.89Å; I50-S53 PolarHBondContact O-N 2.89Å; I50-S53 PolarHBondContact O-OG 3.31Å; I50-L54 HydrophobicContact CG2-CD1 4.2Å; I50-L54 PolarHBondContact O-N 3.33Å |
| 51 | N | 96.7 | Very high | 95.5 | Very high | 79 Ų | 79 | 91.4 Ų | 91.4 | 42% | 0.422 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | -179.7 | -70.9 | -20 | 0 | 0 | 0 | 112.1 | R47 A48 L54 S55 K77 | R47-N51 PolarHBondContact O-N 3.2Å; A48-N51 PolarHBondContact O-N 3.33Å; N51-L54 PolarHBondContact O-N 2.86Å; N51-S55 PolarHBondContact O-N 3.16Å; N51-K77 PolarHBondContact OD1-NZ 3.46Å |
| 52 | E | 97.4 | Very high | 95.8 | Very high | 107 Ų | 107 | 86.4 Ų | 86.4 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59 | -51 | 173.3 | -177.6 | 58.1 | -144.3 | 0 | 0 | 110.9 | A48 R49 I50 L54 S55 Q56 | A48-E52 WeakPolarHBondContact O-CB 3.38Å; A48-E52 PolarHBondContact O-N 2.88Å; R49-E52 PolarHBondContact O-N 3.42Å; I50-E52 VanDerWaalsContact C-N 3.34Å; I50-E52 PolarHBondContact O-N 2.89Å; E52-L54 VanDerWaalsContact C-N 3.3Å; E52-L54 PolarHBondContact O-N 3.45Å; E52-S55 WeakPolarHBondContact O-CB 3.35Å; E52-S55 PolarHBondContact O-N 2.89Å; E52-S55 VanDerWaalsContact O-N 3.12Å; E52-Q56 WeakPolarHBondContact O-CG 3.49Å; E52-Q56 PolarHBondContact O-N 2.94Å; E52-Q56 PolarHBondContact OE1-NE2 3.41Å |
| 53 | S | 97.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 87 Ų | 87 | 43% | 0.427 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 178.6 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | R49 I50 L57 | R49-S53 PolarHBondContact O-N 2.98Å; R49-S53 PolarHBondContact O-OG 3.49Å; I50-S53 PolarHBondContact O-N 2.89Å; I50-S53 PolarHBondContact O-OG 3.31Å; S53-L57 VanDerWaalsContact O-CB 3.23Å; S53-L57 WeakPolarHBondContact O-CB 3.31Å; S53-L57 PolarHBondContact O-N 2.99Å |
| 54 | L | 96.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 86.7 Ų | 86.7 | 12% | 0.12 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 174.9 | -83.9 | 172.6 | 0 | 0 | 0 | 112.5 | I50 N51 E52 L57 K58 K77 I80 L81 | I50-L54 HydrophobicContact CG2-CD1 4.2Å; I50-L54 PolarHBondContact O-N 3.33Å; N51-L54 PolarHBondContact O-N 2.86Å; E52-L54 VanDerWaalsContact C-N 3.3Å; E52-L54 PolarHBondContact O-N 3.45Å; L54-L57 PolarHBondContact O-N 3.17Å; L54-K58 WeakPolarHBondContact O-CB 3.38Å; L54-K58 PolarHBondContact O-N 3.43Å; L54-K77 HydrophobicContact CD1-CD 3.97Å; L54-K77 HydrophobicContact CD1-CG 4.1Å; L54-I80 HydrophobicContact CD2-CG2 4.17Å; L54-L81 HydrophobicContact CD2-CD2 3.96Å; L54-L81 HydrophobicContact CD2-CG 4.31Å |
| 55 | S | 94.9 | Very high | 95.6 | Very high | 66 Ų | 66 | 82.7 Ų | 82.7 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -47.4 | 175 | -172.5 | 0 | 0 | 0 | 0 | 111 | N51 E52 L57 K58 T59 | N51-S55 PolarHBondContact O-N 3.16Å; E52-S55 WeakPolarHBondContact O-CB 3.35Å; E52-S55 PolarHBondContact O-N 2.89Å; E52-S55 VanDerWaalsContact O-N 3.12Å; S55-L57 PolarHBondContact O-N 3.45Å; S55-K58 WeakPolarHBondContact O-CB 3.49Å; S55-K58 PolarHBondContact O-N 3.21Å; S55-T59 PolarHBondContact O-N 2.86Å; S55-T59 VanDerWaalsContact O-N 3.12Å; S55-T59 PolarHBondContact O-OG1 2.93Å |
| 56 | Q | 96.2 | Very high | 95.4 | Very high | 104 Ų | 104 | 83.6 Ų | 83.6 | 49% | 0.486 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 175.6 | -68 | 175.9 | -4.5 | 0 | 0 | 111.5 | E52 K58 T59 L60 | E52-Q56 WeakPolarHBondContact O-CG 3.49Å; E52-Q56 PolarHBondContact O-N 2.94Å; E52-Q56 PolarHBondContact OE1-NE2 3.41Å; Q56-K58 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.47Å; Q56-T59 PolarHBondContact O-N 2.99Å; Q56-L60 WeakPolarHBondContact O-CG 3.28Å; Q56-L60 PolarHBondContact O-N 2.82Å |
| 57 | L | 96.7 | Very high | 94.9 | Very high | 48 Ų | 48 | 81.6 Ų | 81.6 | 25% | 0.251 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 178.5 | -175.9 | 60.7 | 0 | 0 | 0 | 111.8 | S53 L54 S55 T59 L60 I61 I80 L81 T84 | S53-L57 VanDerWaalsContact O-CB 3.23Å; S53-L57 WeakPolarHBondContact O-CB 3.31Å; S53-L57 PolarHBondContact O-N 2.99Å; L54-L57 PolarHBondContact O-N 3.17Å; S55-L57 PolarHBondContact O-N 3.45Å; L57-T59 PolarHBondContact O-N 2.88Å; L57-L60 PolarHBondContact O-N 3.45Å; L57-I61 HydrophobicContact CD1-CG1 4.01Å; L57-I61 HydrophobicContact CG-CG1 4.35Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.16Å; L57-I61 PolarHBondContact O-N 2.95Å; L57-I80 HydrophobicContact CD2-CG2 4.27Å; L57-I80 HydrophobicContact CG-CG2 4.27Å; L57-L81 HydrophobicContact CD2-CD2 4.43Å; L57-T84 HydrophobicContact CD1-CG2 3.79Å; L57-T84 HydrophobicContact CD2-CG2 4.07Å; L57-T84 WeakPolarHBondContact CD2-OG1 3.41Å; L57-T84 HydrophobicContact CG-CG2 4.3Å; L57-T84 WeakPolarHBondContact CG-OG1 3.34Å |
| 58 | K | 95 | Very high | 94.3 | Very high | 41 Ų | 41 | 81.4 Ų | 81.4 | 18% | 0.178 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55.6 | -50.2 | 174.4 | 175 | -178.9 | 176.6 | 173.3 | 0 | 111.3 | L54 S55 Q56 I61 L62 H72 S73 L75 I80 | L54-K58 WeakPolarHBondContact O-CB 3.38Å; L54-K58 PolarHBondContact O-N 3.43Å; S55-K58 WeakPolarHBondContact O-CB 3.49Å; S55-K58 PolarHBondContact O-N 3.21Å; Q56-K58 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.47Å; K58-I61 PolarHBondContact O-N 2.96Å; K58-L62 HydrophobicContact CG-CD1 3.81Å; K58-L62 HydrophobicContact CG-CG 4.42Å; K58-L62 WeakPolarHBondContact O-CB 3.28Å; K58-L62 WeakPolarHBondContact O-CG 2.94Å; K58-L62 PolarHBondContact O-N 3.39Å; K58-H72 WeakPolarHBondContact CE-O 3.43Å; K58-H72 PolarHBondContact NZ-O 3.4Å; K58-S73 PolarHBondContact NZ-O 3.46Å; K58-L75 HydrophobicContact CD-CD1 4.46Å; K58-L75 HydrophobicContact CG-CD1 4.22Å; K58-I80 HydrophobicContact CB-CD1 4.06Å; K58-I80 HydrophobicContact CB-CG1 4.18Å; K58-I80 HydrophobicContact CB-CG2 4.18Å; K58-I80 HydrophobicContact CD-CD1 4.1Å; K58-I80 HydrophobicContact CD-CG1 4.45Å; K58-I80 HydrophobicContact CG-CD1 4.41Å; K58-I80 HydrophobicContact CG-CG1 4.37Å |
| 59 | T | 94.7 | Very high | 93.6 | Very high | 90 Ų | 90 | 82.6 Ų | 82.6 | 55% | 0.552 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.2 | -49.8 | -179.9 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | S55 Q56 L57 I61 L62 D63 | S55-T59 PolarHBondContact O-N 2.86Å; S55-T59 VanDerWaalsContact O-N 3.12Å; S55-T59 PolarHBondContact O-OG1 2.93Å; Q56-T59 PolarHBondContact O-N 2.99Å; L57-T59 PolarHBondContact O-N 2.88Å; T59-I61 VanDerWaalsContact C-N 3.32Å; T59-I61 PolarHBondContact O-N 3.37Å; T59-L62 PolarHBondContact O-N 2.99Å; T59-D63 WeakPolarHBondContact O-CB 3.43Å; T59-D63 PolarHBondContact O-N 2.95Å |
| 60 | L | 95.8 | Very high | 92.7 | Very high | 115 Ų | 115 | 78.1 Ų | 78.1 | 60% | 0.602 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.7 | -41.5 | 180 | -70.2 | 173.5 | 0 | 0 | 0 | 112.4 | Q56 L57 A64 | Q56-L60 WeakPolarHBondContact O-CG 3.28Å; Q56-L60 PolarHBondContact O-N 2.82Å; L57-L60 PolarHBondContact O-N 3.45Å; L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 3.28Å |
| 61 | I | 95.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 84.2 Ų | 84.2 | 7% | 0.067 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -72 | -40.1 | -179 | -68.3 | -64.7 | 0 | 0 | 0 | 111.9 | L57 K58 T59 D63 L65 M83 T84 H87 | L57-I61 HydrophobicContact CD1-CG1 4.01Å; L57-I61 HydrophobicContact CG-CG1 4.35Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.16Å; L57-I61 PolarHBondContact O-N 2.95Å; K58-I61 PolarHBondContact O-N 2.96Å; T59-I61 VanDerWaalsContact C-N 3.32Å; T59-I61 PolarHBondContact O-N 3.37Å; I61-D63 VanDerWaalsContact C-N 3.33Å; I61-L65 HydrophobicContact CG2-CD1 3.74Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 VanDerWaalsContact O-CB 3.28Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 2.96Å; I61-M83 HydrophobicContact CG2-CB 3.92Å; I61-M83 HydrophobicContact CG2-CE 4.09Å; I61-T84 HydrophobicContact CD1-CG2 4.18Å; I61-T84 WeakPolarHBondContact CG1-OG1 3.49Å; I61-H87 HydrophobicContact CD1-CB 4.01Å |
| 62 | L | 94.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 81.6 Ų | 81.6 | 4% | 0.042 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 176.3 | -67.8 | 174.6 | 0 | 0 | 0 | 111.3 | K58 T59 L65 K66 K67 H72 L75 M83 | K58-L62 HydrophobicContact CG-CD1 3.81Å; K58-L62 HydrophobicContact CG-CG 4.42Å; K58-L62 WeakPolarHBondContact O-CB 3.28Å; K58-L62 WeakPolarHBondContact O-CG 2.94Å; K58-L62 PolarHBondContact O-N 3.39Å; T59-L62 PolarHBondContact O-N 2.99Å; L62-L65 CarbonylContact O-C 3.59Å; L62-L65 PolarHBondContact O-N 3.01Å; L62-K66 PolarHBondContact O-N 3.35Å; L62-K67 HydrophobicContact CD2-CB 3.85Å; L62-K67 HydrophobicContact CD2-CG 4.06Å; L62-K67 PolarHBondContact O-N 3.28Å; L62-H72 HydrophobicContact CD1-CB 3.69Å; L62-H72 HydrophobicContact CD2-CB 3.59Å; L62-H72 VanDerWaalsContact CD2-CG 3.46Å; L62-H72 WeakPolarHBondContact CD2-ND1 3.5Å; L62-H72 HydrophobicContact CG-CB 4.31Å; L62-L75 HydrophobicContact CD2-CD1 4.29Å; L62-M83 HydrophobicContact CD2-CE 4.16Å |
| 63 | D | 93 | Very high | 90.7 | Very high | 126 Ų | 126 | 80.6 Ų | 80.6 | 67% | 0.674 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.6 | -50.4 | 175.7 | -171.6 | 45.1 | 0 | 0 | 0 | 111.6 | T59 I61 L65 K66 | T59-D63 WeakPolarHBondContact O-CB 3.43Å; T59-D63 PolarHBondContact O-N 2.95Å; I61-D63 VanDerWaalsContact C-N 3.33Å; D63-L65 PolarHBondContact O-N 3.13Å; D63-K66 PolarHBondContact O-N 3.42Å |
| 64 | A | 92.4 | Very high | 90.1 | Very high | 57 Ų | 57 | 86.9 Ų | 86.9 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.5 | -32.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L60 | L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 3.28Å |
| 65 | L | 90.9 | Very high | 89.6 | Confident | 77 Ų | 77 | 87.4 Ų | 87.4 | 40% | 0.403 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 1.5 | 177.1 | -63.9 | 175.6 | 0 | 0 | 0 | 113.4 | I61 L62 D63 K67 M83 | I61-L65 HydrophobicContact CG2-CD1 3.74Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 VanDerWaalsContact O-CB 3.28Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 2.96Å; L62-L65 CarbonylContact O-C 3.59Å; L62-L65 PolarHBondContact O-N 3.01Å; D63-L65 PolarHBondContact O-N 3.13Å; L65-K67 HydrophobicContact CB-CB 4.43Å; L65-K67 PolarHBondContact O-N 3.38Å; L65-M83 HydrophobicContact CD1-CE 3.55Å |
| 66 | K | 90.1 | Very high | 89.6 | Confident | 196 Ų | 196 | 90.9 Ų | 90.9 | 85% | 0.852 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 44.7 | -175.3 | -60.9 | -178.3 | 176.2 | 178.7 | 0 | 112.4 | L62 D63 | L62-K66 PolarHBondContact O-N 3.35Å; D63-K66 PolarHBondContact O-N 3.42Å |
| 67 | K | 87.4 | Confident | 89.4 | Confident | 95 Ų | 95 | 91.6 Ų | 91.6 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | trans | -101.4 | 136.8 | -175.6 | -160.5 | 82.3 | 173.7 | -169.9 | 0 | 109.6 | L62 L65 S69 H72 | L62-K67 HydrophobicContact CD2-CB 3.85Å; L62-K67 HydrophobicContact CD2-CG 4.06Å; L62-K67 PolarHBondContact O-N 3.28Å; L65-K67 HydrophobicContact CB-CB 4.43Å; L65-K67 PolarHBondContact O-N 3.38Å; K67-S69 PolarHBondContact O-N 2.83Å; K67-H72 VanDerWaalsContact CE-CE1 3.46Å; K67-H72 WeakPolarHBondContact CE-CE1 3.17Å; K67-H72 WeakPolarHBondContact CE-NE2 3.29Å; K67-H72 WeakPolarHBondContact CG-NE2 3.43Å | ||
| 68 | D | 84.2 | Confident | 89.4 | Confident | 96 Ų | 96 | 92.5 Ų | 92.5 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | trans | -61.2 | 120.1 | -178.2 | -56.2 | -53.5 | 0 | 0 | 0 | 111.9 | S70 R71 H72 | D68-S70 PolarHBondContact O-N 3.02Å; D68-R71 HydrophobicContact CB-CB 4.42Å; D68-R71 HydrophobicContact CB-CG 4.27Å; D68-R71 PolarHBondContact O-N 2.97Å; D68-H72 PolarHBondContact O-CD2 3.19Å; D68-H72 VanDerWaalsContact O-CD2 3.31Å; D68-H72 PolarHBondContact O-N 3.41Å | ||
| 69 | S | 81.8 | Confident | 89.4 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -33 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 112.6 | K67 H72 S73 | K67-S69 PolarHBondContact O-N 2.83Å; S69-H72 CarbonylContact O-C 3.36Å; S69-H72 PolarHBondContact O-N 2.84Å; S69-H72 VanDerWaalsContact O-N 3.17Å; S69-S73 PolarHBondContact O-N 3Å |
| 70 | S | 80.3 | Confident | 89.3 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 65% | 0.65 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -45.3 | 179.7 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | D68 H72 S73 | D68-S70 PolarHBondContact O-N 3.02Å; S70-H72 PolarHBondContact O-N 3.42Å; S70-S73 PolarHBondContact O-N 3.16Å; S70-S73 PolarHBondContact O-OG 3.48Å |
| 71 | R | 80.2 | Confident | 89.4 | Confident | 189 Ų | 189 | 88.4 Ų | 88.4 | 71% | 0.713 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.4 | 177.9 | -66.6 | -175.3 | 66.7 | -164.1 | 2.1 | 112.7 | D68 | D68-R71 HydrophobicContact CB-CB 4.42Å; D68-R71 HydrophobicContact CB-CG 4.27Å; D68-R71 PolarHBondContact O-N 2.97Å |
| 72 | H | 84.3 | Confident | 89.4 | Confident | 24 Ų | 24 | 94.3 Ų | 94.3 | 11% | 0.111 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 11.8 | -176.9 | -71.8 | -112.7 | 0 | 0 | 0 | 112.1 | K58 L62 K67 D68 S69 S70 K74 L75 | K58-H72 WeakPolarHBondContact CE-O 3.43Å; K58-H72 PolarHBondContact NZ-O 3.4Å; L62-H72 HydrophobicContact CD1-CB 3.69Å; L62-H72 HydrophobicContact CD2-CB 3.59Å; L62-H72 VanDerWaalsContact CD2-CG 3.46Å; L62-H72 WeakPolarHBondContact CD2-ND1 3.5Å; L62-H72 HydrophobicContact CG-CB 4.31Å; K67-H72 VanDerWaalsContact CE-CE1 3.46Å; K67-H72 WeakPolarHBondContact CE-CE1 3.17Å; K67-H72 WeakPolarHBondContact CE-NE2 3.29Å; K67-H72 WeakPolarHBondContact CG-NE2 3.43Å; D68-H72 PolarHBondContact O-CD2 3.19Å; D68-H72 VanDerWaalsContact O-CD2 3.31Å; D68-H72 PolarHBondContact O-N 3.41Å; S69-H72 CarbonylContact O-C 3.36Å; S69-H72 PolarHBondContact O-N 2.84Å; S69-H72 VanDerWaalsContact O-N 3.17Å; S70-H72 PolarHBondContact O-N 3.42Å; H72-K74 PolarHBondContact O-N 3.4Å; H72-L75 HydrophobicContact CB-CD1 3.79Å; H72-L75 HydrophobicContact CB-CG 3.94Å; H72-L75 WeakPolarHBondContact O-CG 3.45Å; H72-L75 PolarHBondContact O-N 3.47Å |
| 73 | S | 83.2 | Confident | 89.5 | Confident | 87 Ų | 87 | 95.7 Ų | 95.7 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -30.7 | -179.6 | 70.8 | 0 | 0 | 0 | 0 | 112.3 | K58 S69 S70 | K58-S73 PolarHBondContact NZ-O 3.46Å; S69-S73 PolarHBondContact O-N 3Å; S70-S73 PolarHBondContact O-N 3.16Å; S70-S73 PolarHBondContact O-OG 3.48Å |
| 74 | K | 85 | Confident | 89.7 | Confident | 192 Ų | 192 | 90.4 Ų | 90.4 | 84% | 0.835 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 23.4 | -177.6 | -152.1 | 178.2 | 180 | 179.3 | 0 | 115.2 | H72 E76 | H72-K74 PolarHBondContact O-N 3.4Å; K74-E76 PolarHBondContact O-N 3.05Å |
| 75 | L | 87 | Confident | 89.9 | Confident | 35 Ų | 35 | 91.6 Ų | 91.6 | 18% | 0.183 | 47% | 0.469 | C | S | . | . | trans | -56.8 | 133.4 | 176.3 | -76.8 | 173.1 | 0 | 0 | 0 | 112 | K58 L62 H72 D79 I80 M83 | K58-L75 HydrophobicContact CD-CD1 4.46Å; K58-L75 HydrophobicContact CG-CD1 4.22Å; L62-L75 HydrophobicContact CD2-CD1 4.29Å; H72-L75 HydrophobicContact CB-CD1 3.79Å; H72-L75 HydrophobicContact CB-CG 3.94Å; H72-L75 WeakPolarHBondContact O-CG 3.45Å; H72-L75 PolarHBondContact O-N 3.47Å; L75-D79 HydrophobicContact CB-CB 4.47Å; L75-D79 HydrophobicContact CD2-CB 3.67Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG1 3.91Å; L75-I80 HydrophobicContact CD1-CG1 4.22Å; L75-M83 HydrophobicContact CD1-SD 4.22Å; L75-M83 HydrophobicContact CD2-SD 4.29Å | ||
| 76 | E | 93.4 | Very high | 90.2 | Very high | 138 Ų | 138 | 95.4 Ų | 95.4 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | trans | -74.5 | 161.8 | 172.7 | -59.8 | -165 | 95.8 | 0 | 0 | 110.7 | K74 A78 D79 I80 | K74-E76 PolarHBondContact O-N 3.05Å; E76-A78 PolarHBondContact O-N 2.95Å; E76-D79 PolarHBondContact N-OD2 3.19Å; E76-D79 PolarHBondContact O-N 2.83Å; E76-I80 WeakPolarHBondContact O-CG1 3.36Å; E76-I80 PolarHBondContact O-N 3.15Å; E76-I80 VanDerWaalsContact O-N 3.12Å | ||
| 77 | K | 93.4 | Very high | 90.4 | Very high | 119 Ų | 119 | 88.1 Ų | 88.1 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 178.6 | -69.3 | -172.8 | 171.1 | -172.1 | 0 | 111.7 | N51 L54 L81 | N51-K77 PolarHBondContact OD1-NZ 3.46Å; L54-K77 HydrophobicContact CD1-CD 3.97Å; L54-K77 HydrophobicContact CD1-CG 4.1Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 3.33Å |
| 78 | A | 95.8 | Very high | 90.8 | Very high | 68 Ų | 68 | 88.3 Ų | 88.3 | 56% | 0.562 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.8 | -46.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E76 I80 L81 E82 | E76-A78 PolarHBondContact O-N 2.95Å; A78-I80 PolarHBondContact O-N 3.08Å; A78-L81 PolarHBondContact O-N 2.99Å; A78-E82 WeakPolarHBondContact O-CB 3.34Å; A78-E82 PolarHBondContact O-N 3.28Å |
| 79 | D | 94.3 | Very high | 91.4 | Very high | 55 Ų | 55 | 91.2 Ų | 91.2 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 179.6 | -58.6 | -24.9 | 0 | 0 | 0 | 112.7 | L75 E76 L81 E82 M83 | L75-D79 HydrophobicContact CB-CB 4.47Å; L75-D79 HydrophobicContact CD2-CB 3.67Å; E76-D79 PolarHBondContact N-OD2 3.19Å; E76-D79 PolarHBondContact O-N 2.83Å; D79-L81 VanDerWaalsContact C-N 3.28Å; D79-L81 PolarHBondContact O-N 3.49Å; D79-E82 PolarHBondContact O-N 3.46Å; D79-M83 WeakPolarHBondContact O-CB 3.43Å; D79-M83 WeakPolarHBondContact O-CG 3.47Å; D79-M83 PolarHBondContact O-N 2.88Å |
| 80 | I | 94.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 90.3 Ų | 90.3 | 7% | 0.072 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 177.5 | -63.9 | 166.2 | 0 | 0 | 0 | 109.8 | L54 L57 K58 L75 E76 A78 T84 | L54-I80 HydrophobicContact CD2-CG2 4.17Å; L57-I80 HydrophobicContact CD2-CG2 4.27Å; L57-I80 HydrophobicContact CG-CG2 4.27Å; K58-I80 HydrophobicContact CB-CD1 4.06Å; K58-I80 HydrophobicContact CB-CG1 4.18Å; K58-I80 HydrophobicContact CB-CG2 4.18Å; K58-I80 HydrophobicContact CD-CD1 4.1Å; K58-I80 HydrophobicContact CD-CG1 4.45Å; K58-I80 HydrophobicContact CG-CD1 4.41Å; K58-I80 HydrophobicContact CG-CG1 4.37Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG1 3.91Å; L75-I80 HydrophobicContact CD1-CG1 4.22Å; E76-I80 WeakPolarHBondContact O-CG1 3.36Å; E76-I80 PolarHBondContact O-N 3.15Å; E76-I80 VanDerWaalsContact O-N 3.12Å; A78-I80 PolarHBondContact O-N 3.08Å; I80-T84 WeakPolarHBondContact O-CB 3.4Å; I80-T84 PolarHBondContact O-N 2.89Å; I80-T84 PolarHBondContact O-OG1 3.46Å |
| 81 | L | 97.2 | Very high | 92.6 | Very high | 90 Ų | 90 | 89.2 Ų | 89.2 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 179.5 | -66.4 | 175.1 | 0 | 0 | 0 | 111.6 | L54 L57 K77 A78 D79 T84 V85 | L54-L81 HydrophobicContact CD2-CD2 3.96Å; L54-L81 HydrophobicContact CD2-CG 4.31Å; L57-L81 HydrophobicContact CD2-CD2 4.43Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 3.33Å; A78-L81 PolarHBondContact O-N 2.99Å; D79-L81 VanDerWaalsContact C-N 3.28Å; D79-L81 PolarHBondContact O-N 3.49Å; L81-T84 WeakPolarHBondContact O-CB 3.4Å; L81-T84 PolarHBondContact O-N 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.33Å; L81-V85 PolarHBondContact O-N 2.85Å |
| 82 | E | 95.9 | Very high | 93.1 | Very high | 137 Ų | 137 | 85.5 Ų | 85.5 | 64% | 0.64 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.2 | -47.8 | 177.8 | -174.6 | 177.9 | -175.8 | 0 | 0 | 111.5 | A78 D79 T84 V85 K86 | A78-E82 WeakPolarHBondContact O-CB 3.34Å; A78-E82 PolarHBondContact O-N 3.28Å; D79-E82 PolarHBondContact O-N 3.46Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 2.91Å; E82-V85 PolarHBondContact O-N 3.41Å; E82-K86 WeakPolarHBondContact O-CB 3.27Å; E82-K86 PolarHBondContact O-N 3.17Å |
| 83 | M | 95.5 | Very high | 93.4 | Very high | 37 Ų | 37 | 91.5 Ų | 91.5 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 176.4 | -74.7 | -171.7 | 63.7 | 0 | 0 | 111.4 | I61 L62 L65 L75 D79 H87 | I61-M83 HydrophobicContact CG2-CB 3.92Å; I61-M83 HydrophobicContact CG2-CE 4.09Å; L62-M83 HydrophobicContact CD2-CE 4.16Å; L65-M83 HydrophobicContact CD1-CE 3.55Å; L75-M83 HydrophobicContact CD1-SD 4.22Å; L75-M83 HydrophobicContact CD2-SD 4.29Å; D79-M83 WeakPolarHBondContact O-CB 3.43Å; D79-M83 WeakPolarHBondContact O-CG 3.47Å; D79-M83 PolarHBondContact O-N 2.88Å; M83-H87 WeakPolarHBondContact O-CB 3.32Å; M83-H87 PolarHBondContact O-N 3.42Å |
| 84 | T | 96.9 | Very high | 93.6 | Very high | 15 Ų | 15 | 92.7 Ų | 92.7 | 9% | 0.092 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.4 | -50.8 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | L57 I61 I80 L81 E82 K86 H87 L88 | L57-T84 HydrophobicContact CD1-CG2 3.79Å; L57-T84 HydrophobicContact CD2-CG2 4.07Å; L57-T84 WeakPolarHBondContact CD2-OG1 3.41Å; L57-T84 HydrophobicContact CG-CG2 4.3Å; L57-T84 WeakPolarHBondContact CG-OG1 3.34Å; I61-T84 HydrophobicContact CD1-CG2 4.18Å; I61-T84 WeakPolarHBondContact CG1-OG1 3.49Å; I80-T84 WeakPolarHBondContact O-CB 3.4Å; I80-T84 PolarHBondContact O-N 2.89Å; I80-T84 PolarHBondContact O-OG1 3.46Å; L81-T84 WeakPolarHBondContact O-CB 3.4Å; L81-T84 PolarHBondContact O-N 3.32Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 2.91Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.18Å; T84-H87 WeakPolarHBondContact O-CB 3.42Å; T84-H87 PolarHBondContact O-N 3.48Å; T84-H87 VanDerWaalsContact O-N 3.13Å; T84-L88 HydrophobicContact CG2-CD1 4.04Å; T84-L88 HydrophobicContact CG2-CG 4.33Å; T84-L88 WeakPolarHBondContact O-CG 3.31Å; T84-L88 PolarHBondContact O-N 2.85Å |
| 85 | V | 97.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 89 Ų | 89 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | -179.8 | 172 | 0 | 0 | 0 | 0 | 110.4 | L81 E82 H87 L88 R89 | L81-V85 WeakPolarHBondContact O-CG2 3.33Å; L81-V85 PolarHBondContact O-N 2.85Å; E82-V85 PolarHBondContact O-N 3.41Å; V85-H87 VanDerWaalsContact C-N 3.33Å; V85-H87 PolarHBondContact O-N 3.39Å; V85-L88 PolarHBondContact O-N 3.45Å; V85-R89 HydrophobicContact CG1-CG 4.38Å; V85-R89 WeakPolarHBondContact O-CB 3.45Å; V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.39Å; V85-R89 PolarHBondContact O-N 3.4Å |
| 86 | K | 96 | Very high | 93.2 | Very high | 157 Ų | 157 | 93.4 Ų | 93.4 | 68% | 0.683 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.7 | -44.1 | 175.2 | -176.6 | 174.7 | 178.7 | 171.6 | 0 | 111.6 | E82 T84 N90 | E82-K86 WeakPolarHBondContact O-CB 3.27Å; E82-K86 PolarHBondContact O-N 3.17Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.18Å; K86-N90 WeakPolarHBondContact O-CB 3.49Å; K86-N90 PolarHBondContact O-N 3.43Å |
| 87 | H | 95.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 90.6 Ų | 90.6 | 20% | 0.204 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.9 | -179.3 | 73.4 | 0 | 0 | 0 | 111.9 | I61 M83 T84 V85 R89 N90 L91 | I61-H87 HydrophobicContact CD1-CB 4.01Å; M83-H87 WeakPolarHBondContact O-CB 3.32Å; M83-H87 PolarHBondContact O-N 3.42Å; T84-H87 WeakPolarHBondContact O-CB 3.42Å; T84-H87 PolarHBondContact O-N 3.48Å; T84-H87 VanDerWaalsContact O-N 3.13Å; V85-H87 VanDerWaalsContact C-N 3.33Å; V85-H87 PolarHBondContact O-N 3.39Å; H87-R89 PolarHBondContact O-N 3.5Å; H87-N90 CarbonylContact O-C 3.59Å; H87-N90 WeakPolarHBondContact O-CA 3.4Å; H87-N90 WeakPolarHBondContact O-CB 3.37Å; H87-N90 PolarHBondContact O-N 3.35Å; H87-N90 VanDerWaalsContact O-N 3.1Å; H87-L91 PolarHBondContact O-N 3.2Å |
| 88 | L | 96.4 | Very high | 91.6 | Very high | 98 Ų | 98 | 87.8 Ų | 87.8 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 178.1 | -69.4 | 176 | 0 | 0 | 0 | 112.3 | T84 V85 N90 L91 Q92 | T84-L88 HydrophobicContact CG2-CD1 4.04Å; T84-L88 HydrophobicContact CG2-CG 4.33Å; T84-L88 WeakPolarHBondContact O-CG 3.31Å; T84-L88 PolarHBondContact O-N 2.85Å; V85-L88 PolarHBondContact O-N 3.45Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.1Å; L88-L91 PolarHBondContact O-N 3.4Å; L88-Q92 PolarHBondContact O-N 3.28Å |
| 89 | R | 95.3 | Very high | 90.6 | Very high | 157 Ų | 157 | 90.5 Ų | 90.5 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.2 | -37.8 | 174.1 | -70.6 | -69.6 | -173.8 | 144.7 | 2.6 | 111.6 | V85 H87 R93 | V85-R89 HydrophobicContact CG1-CG 4.38Å; V85-R89 WeakPolarHBondContact O-CB 3.45Å; V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.39Å; V85-R89 PolarHBondContact O-N 3.4Å; H87-R89 PolarHBondContact O-N 3.5Å; R89-R93 WeakPolarHBondContact O-CG 3.3Å; R89-R93 PolarHBondContact O-N 3Å |
| 90 | N | 93.8 | Very high | 89.5 | Confident | 65 Ų | 65 | 91.1 Ų | 91.1 | 35% | 0.348 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 175.8 | -166.3 | 65.4 | 0 | 0 | 0 | 111.9 | K86 H87 L88 Q92 R93 M94 | K86-N90 WeakPolarHBondContact O-CB 3.49Å; K86-N90 PolarHBondContact O-N 3.43Å; H87-N90 CarbonylContact O-C 3.59Å; H87-N90 WeakPolarHBondContact O-CA 3.4Å; H87-N90 WeakPolarHBondContact O-CB 3.37Å; H87-N90 PolarHBondContact O-N 3.35Å; H87-N90 VanDerWaalsContact O-N 3.1Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.1Å; N90-Q92 VanDerWaalsContact C-N 3.33Å; N90-Q92 PolarHBondContact O-N 2.92Å; N90-R93 PolarHBondContact O-N 3.47Å; N90-R93 PolarHBondContact OD1-NH2 2.84Å; N90-M94 PolarHBondContact ND2-SD 3.12Å; N90-M94 VanDerWaalsContact ND2-SD 3.4Å; N90-M94 WeakPolarHBondContact O-CG 3.34Å; N90-M94 PolarHBondContact O-N 2.68Å |
| 91 | L | 93.5 | Very high | 88.5 | Confident | 70 Ų | 70 | 92.8 Ų | 92.8 | 37% | 0.366 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.2 | -174.3 | 63.3 | 0 | 0 | 0 | 111.3 | H87 L88 R93 M94 Q95 | H87-L91 PolarHBondContact O-N 3.2Å; L88-L91 PolarHBondContact O-N 3.4Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.98Å; L91-M94 PolarHBondContact O-N 3.49Å; L91-Q95 WeakPolarHBondContact O-CB 3.33Å; L91-Q95 WeakPolarHBondContact O-CG 3.38Å; L91-Q95 PolarHBondContact O-N 2.98Å |
| 92 | Q | 91 | Very high | 87.4 | Confident | 112 Ų | 112 | 92.9 Ų | 92.9 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.2 | -171.8 | -177.1 | 8.3 | 0 | 0 | 112.2 | L88 N90 Q95 M96 | L88-Q92 PolarHBondContact O-N 3.28Å; N90-Q92 VanDerWaalsContact C-N 3.33Å; N90-Q92 PolarHBondContact O-N 2.92Å; Q92-Q95 PolarHBondContact O-N 3.28Å; Q92-M96 PolarHBondContact O-N 2.83Å |
| 93 | R | 90.8 | Very high | 86.5 | Confident | 149 Ų | 149 | 89 Ų | 89 | 56% | 0.562 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 175.2 | -73.1 | -170.3 | -58.4 | -98.7 | -2.4 | 111.9 | R89 N90 L91 M96 S97 | R89-R93 WeakPolarHBondContact O-CG 3.3Å; R89-R93 PolarHBondContact O-N 3Å; N90-R93 PolarHBondContact O-N 3.47Å; N90-R93 PolarHBondContact OD1-NH2 2.84Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.98Å; R93-M96 PolarHBondContact O-N 3.1Å; R93-S97 WeakPolarHBondContact O-CB 3.35Å; R93-S97 PolarHBondContact O-N 3.03Å |
| 94 | M | 86.9 | Confident | 85.9 | Confident | 113 Ų | 113 | 90.3 Ų | 90.3 | 56% | 0.557 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 177.8 | -72.4 | 180 | 67 | 0 | 0 | 111.7 | N90 L91 S97 A98 | N90-M94 PolarHBondContact ND2-SD 3.12Å; N90-M94 VanDerWaalsContact ND2-SD 3.4Å; N90-M94 WeakPolarHBondContact O-CG 3.34Å; N90-M94 PolarHBondContact O-N 2.68Å; L91-M94 PolarHBondContact O-N 3.49Å; M94-S97 PolarHBondContact O-N 3.42Å; M94-A98 WeakPolarHBondContact O-CB 3.48Å; M94-A98 PolarHBondContact O-N 3.47Å |
| 95 | Q | 86 | Confident | 85.3 | Confident | 113 Ų | 113 | 93.4 Ų | 93.4 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 175.5 | -74.9 | 176.1 | -23.1 | 0 | 0 | 111.6 | L91 Q92 S97 A98 L99 | L91-Q95 WeakPolarHBondContact O-CB 3.33Å; L91-Q95 WeakPolarHBondContact O-CG 3.38Å; L91-Q95 PolarHBondContact O-N 2.98Å; Q92-Q95 PolarHBondContact O-N 3.28Å; Q95-S97 VanDerWaalsContact C-N 3.31Å; Q95-S97 PolarHBondContact O-N 2.89Å; Q95-A98 PolarHBondContact O-N 3.48Å; Q95-L99 WeakPolarHBondContact O-CG 3.44Å; Q95-L99 PolarHBondContact O-N 2.97Å |
| 96 | M | 78.9 | Confident | 84.8 | Confident | 128 Ų | 128 | 93 Ų | 93 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 176.3 | -167.4 | 70.7 | 73.2 | 0 | 0 | 111.7 | Q92 R93 S100 | Q92-M96 PolarHBondContact O-N 2.83Å; R93-M96 PolarHBondContact O-N 3.1Å; M96-S100 WeakPolarHBondContact O-CB 3.37Å; M96-S100 PolarHBondContact O-N 3Å |
| 97 | S | 77.3 | Confident | 84.3 | Confident | 80 Ų | 80 | 89.2 Ų | 89.2 | 56% | 0.559 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.3 | -37.2 | 176.9 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | R93 M94 Q95 S100 A101 | R93-S97 WeakPolarHBondContact O-CB 3.35Å; R93-S97 PolarHBondContact O-N 3.03Å; M94-S97 PolarHBondContact O-N 3.42Å; Q95-S97 VanDerWaalsContact C-N 3.31Å; Q95-S97 PolarHBondContact O-N 2.89Å; S97-S100 PolarHBondContact O-N 2.99Å; S97-A101 VanDerWaalsContact O-CB 3.31Å; S97-A101 WeakPolarHBondContact O-CB 3.5Å; S97-A101 PolarHBondContact O-N 2.74Å |
| 98 | A | 75.3 | Confident | 84.1 | Confident | 60 Ų | 60 | 94.3 Ų | 94.3 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M94 Q95 S100 A101 D102 | M94-A98 WeakPolarHBondContact O-CB 3.48Å; M94-A98 PolarHBondContact O-N 3.47Å; Q95-A98 PolarHBondContact O-N 3.48Å; A98-S100 VanDerWaalsContact C-N 3.33Å; A98-S100 PolarHBondContact O-N 3.19Å; A98-A101 PolarHBondContact O-N 2.91Å; A98-D102 PolarHBondContact O-N 3.21Å |
| 99 | L | 75.7 | Confident | 83.9 | Confident | 124 Ų | 124 | 95.8 Ų | 95.8 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 173.9 | -66.2 | 173.8 | 0 | 0 | 0 | 111.6 | Q95 A103 | Q95-L99 WeakPolarHBondContact O-CG 3.44Å; Q95-L99 PolarHBondContact O-N 2.97Å; L99-A103 VanDerWaalsContact O-CB 3.29Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.43Å |
| 100 | S | 71.2 | Confident | 83.6 | Confident | 68 Ų | 68 | 94 Ų | 94 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | M96 S97 A98 A103 T104 | M96-S100 WeakPolarHBondContact O-CB 3.37Å; M96-S100 PolarHBondContact O-N 3Å; S97-S100 PolarHBondContact O-N 2.99Å; A98-S100 VanDerWaalsContact C-N 3.33Å; A98-S100 PolarHBondContact O-N 3.19Å; S100-A103 PolarHBondContact O-N 2.85Å; S100-T104 WeakPolarHBondContact O-CG2 3.28Å; S100-T104 PolarHBondContact O-N 3.1Å; S100-T104 PolarHBondContact O-OG1 2.83Å |
| 101 | A | 71.8 | Confident | 83.6 | Confident | 49 Ų | 49 | 93.4 Ų | 93.4 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S97 A98 A103 T104 V105 | S97-A101 VanDerWaalsContact O-CB 3.31Å; S97-A101 WeakPolarHBondContact O-CB 3.5Å; S97-A101 PolarHBondContact O-N 2.74Å; A98-A101 PolarHBondContact O-N 2.91Å; A101-A103 VanDerWaalsContact C-N 3.35Å; A101-A103 PolarHBondContact O-N 3.22Å; A101-T104 PolarHBondContact O-N 3.39Å; A101-T104 VanDerWaalsContact O-N 3.12Å; A101-T104 PolarHBondContact O-OG1 3.04Å; A101-V105 WeakPolarHBondContact O-CG2 3.33Å; A101-V105 PolarHBondContact O-N 2.93Å |
| 102 | D | 74 | Confident | 83.6 | Confident | 93 Ų | 93 | 91.7 Ų | 91.7 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 175.9 | -163.8 | 21.3 | 0 | 0 | 0 | 111.4 | A98 T104 V105 M106 | A98-D102 PolarHBondContact O-N 3.21Å; D102-T104 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact O-N 3.43Å; D102-V105 PolarHBondContact O-N 3.48Å; D102-M106 WeakPolarHBondContact O-CB 3.39Å; D102-M106 WeakPolarHBondContact O-CG 3.3Å; D102-M106 PolarHBondContact O-N 3Å |
| 103 | A | 77.4 | Confident | 83.8 | Confident | 55 Ų | 55 | 87.9 Ų | 87.9 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -38.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L99 S100 A101 S107 | L99-A103 VanDerWaalsContact O-CB 3.29Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.43Å; S100-A103 PolarHBondContact O-N 2.85Å; A101-A103 VanDerWaalsContact C-N 3.35Å; A101-A103 PolarHBondContact O-N 3.22Å; A103-S107 WeakPolarHBondContact O-CB 3.37Å; A103-S107 PolarHBondContact O-N 3.18Å |
| 104 | T | 82.6 | Confident | 84 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 177 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | S100 A101 D102 S107 K108 | S100-T104 WeakPolarHBondContact O-CG2 3.28Å; S100-T104 PolarHBondContact O-N 3.1Å; S100-T104 PolarHBondContact O-OG1 2.83Å; A101-T104 PolarHBondContact O-N 3.39Å; A101-T104 VanDerWaalsContact O-N 3.12Å; A101-T104 PolarHBondContact O-OG1 3.04Å; D102-T104 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact O-N 3.43Å; T104-S107 PolarHBondContact O-N 3.32Å; T104-K108 WeakPolarHBondContact O-CB 3.26Å; T104-K108 VanDerWaalsContact O-CG 3.26Å; T104-K108 WeakPolarHBondContact O-CG 3.47Å; T104-K108 PolarHBondContact O-N 3.41Å |
| 105 | V | 85.7 | Confident | 84.5 | Confident | 81 Ų | 81 | 84 Ų | 84 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68 | -46 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | A101 D102 S107 K108 Y109 | A101-V105 WeakPolarHBondContact O-CG2 3.33Å; A101-V105 PolarHBondContact O-N 2.93Å; D102-V105 PolarHBondContact O-N 3.48Å; V105-S107 VanDerWaalsContact C-N 3.34Å; V105-S107 PolarHBondContact O-N 3.3Å; V105-K108 PolarHBondContact O-N 3.46Å; V105-Y109 WeakPolarHBondContact O-CB 3.38Å; V105-Y109 PolarHBondContact O-N 2.85Å |
| 106 | M | 85.5 | Confident | 85 | Confident | 74 Ų | 74 | 82.2 Ų | 82.2 | 37% | 0.365 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 174.4 | -72.2 | -63.7 | 100.7 | 0 | 0 | 112.4 | D102 Y109 R110 | D102-M106 WeakPolarHBondContact O-CB 3.39Å; D102-M106 WeakPolarHBondContact O-CG 3.3Å; D102-M106 PolarHBondContact O-N 3Å; M106-Y109 PolarHBondContact O-N 3.24Å; M106-R110 VanDerWaalsContact O-CB 3.31Å; M106-R110 WeakPolarHBondContact O-CB 3.21Å; M106-R110 PolarHBondContact O-N 3.31Å |
| 107 | S | 86.9 | Confident | 85.8 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 53% | 0.531 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | A103 T104 V105 R110 A111 | A103-S107 WeakPolarHBondContact O-CB 3.37Å; A103-S107 PolarHBondContact O-N 3.18Å; T104-S107 PolarHBondContact O-N 3.32Å; V105-S107 VanDerWaalsContact C-N 3.34Å; V105-S107 PolarHBondContact O-N 3.3Å; S107-R110 PolarHBondContact O-N 3.06Å; S107-A111 PolarHBondContact O-N 3.35Å |
| 108 | K | 90.4 | Very high | 86.6 | Confident | 152 Ų | 152 | 78.1 Ų | 78.1 | 66% | 0.661 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.9 | -44.8 | 175.8 | -73.9 | 172.5 | -177.5 | 179.2 | 0 | 112.2 | T104 V105 R110 A111 G112 | T104-K108 WeakPolarHBondContact O-CB 3.26Å; T104-K108 VanDerWaalsContact O-CG 3.26Å; T104-K108 WeakPolarHBondContact O-CG 3.47Å; T104-K108 PolarHBondContact O-N 3.41Å; V105-K108 PolarHBondContact O-N 3.46Å; K108-R110 VanDerWaalsContact C-N 3.33Å; K108-R110 PolarHBondContact O-N 2.93Å; K108-A111 PolarHBondContact O-N 2.99Å; K108-G112 PolarHBondContact O-N 3.44Å |
| 109 | Y | 91.4 | Very high | 87.7 | Confident | 128 Ų | 128 | 79.6 Ų | 79.6 | 50% | 0.502 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 175.2 | 177.5 | -96.5 | 0 | 0 | 0 | 111.3 | V105 M106 A111 G112 F113 M149 | V105-Y109 WeakPolarHBondContact O-CB 3.38Å; V105-Y109 PolarHBondContact O-N 2.85Å; M106-Y109 PolarHBondContact O-N 3.24Å; Y109-A111 VanDerWaalsContact C-N 3.33Å; Y109-A111 PolarHBondContact O-N 3.42Å; Y109-G112 PolarHBondContact O-N 2.95Å; Y109-F113 WeakPolarHBondContact O-CB 3.38Å; Y109-F113 PolarHBondContact O-N 3.1Å; Y109-M149 HydrophobicContact CD1-SD 4.33Å; Y109-M149 HydrophobicContact CE1-CE 3.67Å; Y109-M149 HydrophobicContact CE1-SD 3.9Å |
| 110 | R | 90.5 | Very high | 88.6 | Confident | 121 Ų | 121 | 75.6 Ų | 75.6 | 46% | 0.457 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 176.2 | -177.8 | -178.7 | -177.4 | -87.6 | -1.6 | 111.9 | M106 S107 K108 F113 N114 M150 | M106-R110 VanDerWaalsContact O-CB 3.31Å; M106-R110 WeakPolarHBondContact O-CB 3.21Å; M106-R110 PolarHBondContact O-N 3.31Å; S107-R110 PolarHBondContact O-N 3.06Å; K108-R110 VanDerWaalsContact C-N 3.33Å; K108-R110 PolarHBondContact O-N 2.93Å; R110-F113 PolarHBondContact O-N 2.82Å; R110-N114 PolarHBondContact O-N 3.28Å; R110-N114 PolarHBondContact O-ND2 3.1Å; R110-M150 HydrophobicContact CG-CE 4.43Å |
| 111 | A | 92.6 | Very high | 89.7 | Confident | 51 Ų | 51 | 74.7 Ų | 74.7 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -51 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | S107 K108 Y109 F113 N114 E115 | S107-A111 PolarHBondContact O-N 3.35Å; K108-A111 PolarHBondContact O-N 2.99Å; Y109-A111 VanDerWaalsContact C-N 3.33Å; Y109-A111 PolarHBondContact O-N 3.42Å; A111-F113 VanDerWaalsContact C-N 3.34Å; A111-F113 PolarHBondContact O-N 3.45Å; A111-N114 WeakPolarHBondContact O-CB 3.43Å; A111-N114 PolarHBondContact O-N 3.4Å; A111-N114 VanDerWaalsContact O-N 3.13Å; A111-E115 PolarHBondContact O-N 3.45Å |
| 112 | G | 94.4 | Very high | 90.8 | Very high | 34 Ų | 34 | 79 Ų | 79 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K108 Y109 E115 C116 | K108-G112 PolarHBondContact O-N 3.44Å; Y109-G112 PolarHBondContact O-N 2.95Å; G112-E115 PolarHBondContact O-N 3.45Å; G112-C116 WeakPolarHBondContact O-CB 3.23Å; G112-C116 PolarHBondContact O-N 3.2Å |
| 113 | F | 95.4 | Very high | 91.8 | Very high | 32 Ų | 32 | 80.8 Ų | 80.8 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 173.7 | -172.2 | -84.2 | 0 | 0 | 0 | 111.6 | Y109 R110 A111 C116 M117 L142 C145 M146 M149 | Y109-F113 WeakPolarHBondContact O-CB 3.38Å; Y109-F113 PolarHBondContact O-N 3.1Å; R110-F113 PolarHBondContact O-N 2.82Å; A111-F113 VanDerWaalsContact C-N 3.34Å; A111-F113 PolarHBondContact O-N 3.45Å; F113-C116 PolarHBondContact O-N 3.32Å; F113-M117 HydrophobicContact CE1-SD 4.48Å; F113-M117 WeakPolarHBondContact O-CB 3.46Å; F113-M117 PolarHBondContact O-N 2.84Å; F113-L142 WeakPolarHBondContact CE1-O 3.21Å; F113-L142 HydrophobicContact CZ-CB 4.38Å; F113-L142 HydrophobicContact CZ-CD2 4.05Å; F113-C145 HydrophobicContact CZ-CB 4.38Å; F113-M146 HydrophobicContact CD1-CB 4.14Å; F113-M146 HydrophobicContact CD1-CG 4.38Å; F113-M146 HydrophobicContact CD1-SD 4.03Å; F113-M146 HydrophobicContact CE1-CB 3.8Å; F113-M146 HydrophobicContact CE1-SD 4.47Å; F113-M149 HydrophobicContact CD2-CE 4.21Å; F113-M149 HydrophobicContact CE2-CE 4.3Å; F113-M149 HydrophobicContact CG-CE 4.43Å |
| 114 | N | 94.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 78.9 Ų | 78.9 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.7 | -86.2 | -87.9 | 0 | 0 | 0 | 111.8 | R110 A111 C116 M117 N118 M146 | R110-N114 PolarHBondContact O-N 3.28Å; R110-N114 PolarHBondContact O-ND2 3.1Å; A111-N114 WeakPolarHBondContact O-CB 3.43Å; A111-N114 PolarHBondContact O-N 3.4Å; A111-N114 VanDerWaalsContact O-N 3.13Å; N114-C116 VanDerWaalsContact C-N 3.35Å; N114-C116 PolarHBondContact O-N 3.05Å; N114-M117 PolarHBondContact O-N 3.48Å; N114-N118 WeakPolarHBondContact O-CB 3.43Å; N114-N118 PolarHBondContact O-N 2.9Å; N114-N118 PolarHBondContact O-ND2 3.26Å; N114-M146 PolarHBondContact ND2-SD 3.41Å |
| 115 | E | 96.4 | Very high | 92.8 | Very high | 141 Ų | 141 | 80.4 Ų | 80.4 | 66% | 0.659 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.8 | -45.9 | 175.3 | -71 | -178.4 | 158.4 | 0 | 0 | 111.5 | A111 G112 N118 E119 | A111-E115 PolarHBondContact O-N 3.45Å; G112-E115 PolarHBondContact O-N 3.45Å; E115-N118 PolarHBondContact O-N 3.27Å; E115-E119 WeakPolarHBondContact O-CB 3.44Å; E115-E119 PolarHBondContact O-N 3.1Å |
| 116 | C | 96.3 | Very high | 93 | Very high | 76 Ų | 76 | 81.2 Ų | 81.2 | 51% | 0.514 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175 | -178.5 | 0 | 0 | 0 | 0 | 112 | G112 F113 N114 N118 E119 V120 | G112-C116 WeakPolarHBondContact O-CB 3.23Å; G112-C116 PolarHBondContact O-N 3.2Å; F113-C116 PolarHBondContact O-N 3.32Å; N114-C116 VanDerWaalsContact C-N 3.35Å; N114-C116 PolarHBondContact O-N 3.05Å; C116-N118 VanDerWaalsContact C-N 3.33Å; C116-N118 PolarHBondContact O-N 3.39Å; C116-E119 PolarHBondContact O-N 2.86Å; C116-V120 WeakPolarHBondContact O-CG2 3Å; C116-V120 PolarHBondContact O-N 3.34Å |
| 117 | M | 95.7 | Very high | 93 | Very high | 26 Ų | 26 | 78.8 Ų | 78.8 | 13% | 0.128 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 178.5 | -172.6 | -178.8 | 71.9 | 0 | 0 | 112.2 | F113 N114 E119 V120 T121 L142 M146 | F113-M117 HydrophobicContact CE1-SD 4.48Å; F113-M117 WeakPolarHBondContact O-CB 3.46Å; F113-M117 PolarHBondContact O-N 2.84Å; N114-M117 PolarHBondContact O-N 3.48Å; M117-E119 VanDerWaalsContact C-N 3.35Å; M117-V120 PolarHBondContact O-N 3.05Å; M117-T121 WeakPolarHBondContact O-CB 3.37Å; M117-T121 PolarHBondContact O-N 2.92Å; M117-T121 PolarHBondContact O-OG1 2.86Å; M117-L142 HydrophobicContact CG-CB 4.16Å; M117-L142 HydrophobicContact CG-CD1 4.31Å; M117-L142 HydrophobicContact SD-CB 4.19Å; M117-M146 HydrophobicContact CE-CE 3.99Å; M117-M146 HydrophobicContact SD-CE 4.36Å |
| 118 | N | 95.8 | Very high | 92.8 | Very high | 97 Ų | 97 | 84.6 Ų | 84.6 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 174.6 | -72.9 | -27.5 | 0 | 0 | 0 | 111.3 | N114 E115 C116 T121 R122 | N114-N118 WeakPolarHBondContact O-CB 3.43Å; N114-N118 PolarHBondContact O-N 2.9Å; N114-N118 PolarHBondContact O-ND2 3.26Å; E115-N118 PolarHBondContact O-N 3.27Å; C116-N118 VanDerWaalsContact C-N 3.33Å; C116-N118 PolarHBondContact O-N 3.39Å; N118-T121 WeakPolarHBondContact O-CB 3.17Å; N118-T121 PolarHBondContact O-N 2.88Å; N118-R122 WeakPolarHBondContact O-CB 3.22Å; N118-R122 PolarHBondContact O-N 3.19Å |
| 119 | E | 97.1 | Very high | 92.4 | Very high | 90 Ų | 90 | 81.3 Ų | 81.3 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 177.1 | -175 | 58.1 | -162.9 | 0 | 0 | 112 | E115 C116 M117 T121 R122 F123 | E115-E119 WeakPolarHBondContact O-CB 3.44Å; E115-E119 PolarHBondContact O-N 3.1Å; C116-E119 PolarHBondContact O-N 2.86Å; M117-E119 VanDerWaalsContact C-N 3.35Å; E119-T121 VanDerWaalsContact C-N 3.3Å; E119-T121 PolarHBondContact O-N 3.13Å; E119-R122 WeakPolarHBondContact O-CB 3.46Å; E119-R122 PolarHBondContact O-N 3.27Å; E119-R122 IonicContact OE1-CZ 3.39Å; E119-R122 IonicContact OE1-NE 3.34Å; E119-R122 PolarHBondContact OE1-NE 2.72Å; E119-R122 IonicContact OE1-NH2 2.66Å; E119-R122 PolarHBondContact OE1-NH2 3.12Å; E119-R122 IonicContact OE2-CZ 3.64Å; E119-R122 IonicContact OE2-NE 2.85Å; E119-R122 PolarHBondContact OE2-NE 3.42Å; E119-R122 IonicContact OE2-NH2 3.57Å; E119-F123 WeakPolarHBondContact O-CB 3.46Å; E119-F123 PolarHBondContact O-N 2.99Å |
| 120 | V | 95.6 | Very high | 92.1 | Very high | 40 Ų | 40 | 77.5 Ų | 77.5 | 24% | 0.242 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 171.6 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | C116 M117 R122 F123 L124 L138 L139 L142 | C116-V120 WeakPolarHBondContact O-CG2 3Å; C116-V120 PolarHBondContact O-N 3.34Å; M117-V120 PolarHBondContact O-N 3.05Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 3.49Å; V120-F123 PolarHBondContact O-N 3.21Å; V120-L124 HydrophobicContact CG1-CD1 3.76Å; V120-L124 HydrophobicContact CG1-CG 4.25Å; V120-L124 WeakPolarHBondContact O-CB 3.47Å; V120-L124 WeakPolarHBondContact O-CG 3.33Å; V120-L124 PolarHBondContact O-N 3.37Å; V120-L138 HydrophobicContact CG1-CD2 4.26Å; V120-L139 HydrophobicContact CG1-CD2 4.26Å; V120-L142 HydrophobicContact CB-CD1 4.39Å; V120-L142 HydrophobicContact CG1-CD1 4.02Å |
| 121 | T | 94.2 | Very high | 92.1 | Very high | 49 Ų | 49 | 76 Ų | 76 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 177 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | M117 N118 E119 S125 L139 | M117-T121 WeakPolarHBondContact O-CB 3.37Å; M117-T121 PolarHBondContact O-N 2.92Å; M117-T121 PolarHBondContact O-OG1 2.86Å; N118-T121 WeakPolarHBondContact O-CB 3.17Å; N118-T121 PolarHBondContact O-N 2.88Å; E119-T121 VanDerWaalsContact C-N 3.3Å; E119-T121 PolarHBondContact O-N 3.13Å; T121-S125 WeakPolarHBondContact O-CB 3.5Å; T121-S125 PolarHBondContact O-N 3.08Å; T121-S125 VanDerWaalsContact O-N 3.11Å; T121-S125 PolarHBondContact O-OG 3.28Å; T121-L139 HydrophobicContact CG2-CD1 4.26Å; T121-L139 VanDerWaalsContact OG1-CD2 3.25Å; T121-L139 WeakPolarHBondContact OG1-CD2 3.45Å |
| 122 | R | 94.8 | Very high | 91.9 | Very high | 140 Ų | 140 | 76.7 Ų | 76.7 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 177.1 | -169.2 | -175.9 | 76.2 | 82.8 | -0.9 | 111.4 | N118 E119 V120 L124 S125 T126 | N118-R122 WeakPolarHBondContact O-CB 3.22Å; N118-R122 PolarHBondContact O-N 3.19Å; E119-R122 WeakPolarHBondContact O-CB 3.46Å; E119-R122 PolarHBondContact O-N 3.27Å; E119-R122 IonicContact OE1-CZ 3.39Å; E119-R122 IonicContact OE1-NE 3.34Å; E119-R122 PolarHBondContact OE1-NE 2.72Å; E119-R122 IonicContact OE1-NH2 2.66Å; E119-R122 PolarHBondContact OE1-NH2 3.12Å; E119-R122 IonicContact OE2-CZ 3.64Å; E119-R122 IonicContact OE2-NE 2.85Å; E119-R122 PolarHBondContact OE2-NE 3.42Å; E119-R122 IonicContact OE2-NH2 3.57Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 3.49Å; R122-L124 PolarHBondContact O-N 3.3Å; R122-S125 WeakPolarHBondContact O-CB 3.41Å; R122-S125 PolarHBondContact O-N 3.28Å; R122-S125 VanDerWaalsContact O-N 3.16Å; R122-T126 PolarHBondContact O-N 3.4Å; R122-T126 VanDerWaalsContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.19Å |
| 123 | F | 94.6 | Very high | 91.9 | Very high | 130 Ų | 130 | 81 Ų | 81 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.2 | -49.2 | 178.8 | 176.8 | -98.5 | 0 | 0 | 0 | 111.6 | E119 V120 S125 T126 S127 | E119-F123 WeakPolarHBondContact O-CB 3.46Å; E119-F123 PolarHBondContact O-N 2.99Å; V120-F123 PolarHBondContact O-N 3.21Å; F123-S125 PolarHBondContact O-N 2.75Å; F123-T126 PolarHBondContact O-N 3.26Å; F123-T126 VanDerWaalsContact O-N 3.12Å; F123-T126 PolarHBondContact O-OG1 3.31Å; F123-S127 WeakPolarHBondContact O-CB 3.39Å; F123-S127 PolarHBondContact O-N 3.48Å; F123-S127 PolarHBondContact O-OG 2.9Å |
| 124 | L | 92.9 | Very high | 91.7 | Very high | 15 Ų | 15 | 83.5 Ų | 83.5 | 8% | 0.079 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65 | -26.3 | -180 | -68.7 | 174.7 | 0 | 0 | 0 | 113.6 | V120 R122 S127 V130 R135 L138 L139 | V120-L124 HydrophobicContact CG1-CD1 3.76Å; V120-L124 HydrophobicContact CG1-CG 4.25Å; V120-L124 WeakPolarHBondContact O-CB 3.47Å; V120-L124 WeakPolarHBondContact O-CG 3.33Å; V120-L124 PolarHBondContact O-N 3.37Å; R122-L124 PolarHBondContact O-N 3.3Å; L124-S127 VanDerWaalsContact CA-OG 3.32Å; L124-S127 WeakPolarHBondContact CA-OG 3.36Å; L124-S127 PolarHBondContact O-OG 2.97Å; L124-V130 HydrophobicContact CD2-CG1 4.36Å; L124-R135 HydrophobicContact CB-CG 4.21Å; L124-R135 HydrophobicContact CD1-CB 4.45Å; L124-R135 HydrophobicContact CD1-CG 4.4Å; L124-R135 HydrophobicContact CD2-CG 4.34Å; L124-R135 PolarHBondContact O-NE 3.24Å; L124-L138 HydrophobicContact CD1-CD2 3.97Å; L124-L139 HydrophobicContact CD1-CD2 4.26Å; L124-L139 HydrophobicContact CD1-CG 4.34Å |
| 125 | S | 89.1 | Confident | 91.6 | Very high | 96 Ų | 96 | 84.7 Ų | 84.7 | 67% | 0.671 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -75.7 | -33.3 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | T121 R122 F123 | T121-S125 WeakPolarHBondContact O-CB 3.5Å; T121-S125 PolarHBondContact O-N 3.08Å; T121-S125 VanDerWaalsContact O-N 3.11Å; T121-S125 PolarHBondContact O-OG 3.28Å; R122-S125 WeakPolarHBondContact O-CB 3.41Å; R122-S125 PolarHBondContact O-N 3.28Å; R122-S125 VanDerWaalsContact O-N 3.16Å; F123-S125 PolarHBondContact O-N 2.75Å |
| 126 | T | 89.9 | Confident | 91.4 | Very high | 98 Ų | 98 | 81.9 Ų | 81.9 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -88.8 | -16.3 | 177.6 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | R122 F123 E128 | R122-T126 PolarHBondContact O-N 3.4Å; R122-T126 VanDerWaalsContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.19Å; F123-T126 PolarHBondContact O-N 3.26Å; F123-T126 VanDerWaalsContact O-N 3.12Å; F123-T126 PolarHBondContact O-OG1 3.31Å; T126-E128 PolarHBondContact O-N 3.39Å |
| 127 | S | 84.2 | Confident | 91.4 | Very high | 23 Ų | 23 | 87.3 Ų | 87.3 | 16% | 0.161 | 47% | 0.474 | C | S | . | . | trans | -83.6 | 108.5 | -179.6 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | F123 L124 V130 R135 | F123-S127 WeakPolarHBondContact O-CB 3.39Å; F123-S127 PolarHBondContact O-N 3.48Å; F123-S127 PolarHBondContact O-OG 2.9Å; L124-S127 VanDerWaalsContact CA-OG 3.32Å; L124-S127 WeakPolarHBondContact CA-OG 3.36Å; L124-S127 PolarHBondContact O-OG 2.97Å; S127-V130 WeakPolarHBondContact OG-CG2 3.42Å; S127-R135 PolarHBondContact O-NH2 3.18Å | ||
| 128 | E | 82.5 | Confident | 91.3 | Very high | 198 Ų | 198 | 89.5 Ų | 89.5 | 93% | 0.925 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 138.2 | 167.7 | -68.8 | -164.9 | 130.2 | 0 | 0 | 110.5 | T126 | T126-E128 PolarHBondContact O-N 3.39Š|
| 129 | G | 81.5 | Confident | 91.3 | Very high | 83 Ų | 83 | 87 Ų | 87 | 86% | 0.856 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | -9.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 130 | V | 85.2 | Confident | 91.2 | Very high | 48 Ų | 48 | 84.3 Ų | 84.3 | 29% | 0.291 | 47% | 0.468 | S | S | . | . | trans | -78.9 | 138.2 | 172.7 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | L124 S127 R135 | L124-V130 HydrophobicContact CD2-CG1 4.36Å; S127-V130 WeakPolarHBondContact OG-CG2 3.42Å; V130-R135 HydrophobicContact CB-CG 4.3Å; V130-R135 HydrophobicContact CG1-CG 3.73Å; V130-R135 PolarHBondContact O-NH1 2.91Å; V130-R135 PolarHBondContact O-NH2 3.12Å | ||
| 131 | N | 91.1 | Very high | 91.2 | Very high | 89 Ų | 89 | 88.3 Ų | 88.3 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | trans | -69.6 | 135.6 | 176.1 | -174.5 | -43.7 | 0 | 0 | 0 | 110.8 | E133 V134 R135 | N131-E133 VanDerWaalsContact C-N 3.29Å; N131-E133 PolarHBondContact O-N 2.87Å; N131-E133 WeakPolarHBondContact OD1-CB 3.39Å; N131-E133 PolarHBondContact OD1-N 3.4Å; N131-V134 HydrophobicContact CB-CB 4.36Å; N131-V134 HydrophobicContact CB-CG2 4Å; N131-V134 PolarHBondContact O-N 2.97Å; N131-V134 VanDerWaalsContact O-N 3.15Å; N131-R135 PolarHBondContact O-N 3.01Å; N131-R135 VanDerWaalsContact O-N 3.07Å | ||
| 132 | A | 89.3 | Confident | 91.2 | Very high | 67 Ų | 67 | 87.7 Ų | 87.7 | 55% | 0.554 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.1 | -37 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R135 S136 | A132-R135 VanDerWaalsContact CA-NH1 3.3Å; A132-R135 PolarHBondContact O-N 3.34Å; A132-S136 PolarHBondContact O-N 2.97Å |
| 133 | E | 92.9 | Very high | 91.1 | Very high | 125 Ų | 125 | 83.9 Ų | 83.9 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.7 | -39.5 | 177.4 | -66.7 | 175 | 143.2 | 0 | 0 | 111.5 | N131 S136 R137 | N131-E133 VanDerWaalsContact C-N 3.29Å; N131-E133 PolarHBondContact O-N 2.87Å; N131-E133 WeakPolarHBondContact OD1-CB 3.39Å; N131-E133 PolarHBondContact OD1-N 3.4Å; E133-S136 PolarHBondContact O-N 2.95Å; E133-R137 WeakPolarHBondContact O-CB 3.49Å; E133-R137 VanDerWaalsContact O-CG 3.26Å; E133-R137 WeakPolarHBondContact O-CG 3.16Å; E133-R137 PolarHBondContact O-N 2.98Å |
| 134 | V | 92.1 | Very high | 91 | Very high | 84 Ų | 84 | 80.8 Ų | 80.8 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | N131 S136 R137 L138 | N131-V134 HydrophobicContact CB-CB 4.36Å; N131-V134 HydrophobicContact CB-CG2 4Å; N131-V134 PolarHBondContact O-N 2.97Å; N131-V134 VanDerWaalsContact O-N 3.15Å; V134-S136 PolarHBondContact O-N 3.48Å; V134-R137 PolarHBondContact O-N 3.22Å; V134-L138 WeakPolarHBondContact O-CB 3.09Å; V134-L138 PolarHBondContact O-N 3.12Å |
| 135 | R | 91.8 | Very high | 91 | Very high | 63 Ų | 63 | 82.5 Ų | 82.5 | 24% | 0.238 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 173.2 | -64.7 | -171.3 | -164 | 84.3 | 0.3 | 111.3 | L124 S127 V130 N131 A132 R137 L138 L139 | L124-R135 HydrophobicContact CB-CG 4.21Å; L124-R135 HydrophobicContact CD1-CB 4.45Å; L124-R135 HydrophobicContact CD1-CG 4.4Å; L124-R135 HydrophobicContact CD2-CG 4.34Å; L124-R135 PolarHBondContact O-NE 3.24Å; S127-R135 PolarHBondContact O-NH2 3.18Å; V130-R135 HydrophobicContact CB-CG 4.3Å; V130-R135 HydrophobicContact CG1-CG 3.73Å; V130-R135 PolarHBondContact O-NH1 2.91Å; V130-R135 PolarHBondContact O-NH2 3.12Å; N131-R135 PolarHBondContact O-N 3.01Å; N131-R135 VanDerWaalsContact O-N 3.07Å; A132-R135 VanDerWaalsContact CA-NH1 3.3Å; A132-R135 PolarHBondContact O-N 3.34Å; R135-R137 VanDerWaalsContact C-N 3.34Å; R135-R137 PolarHBondContact O-N 2.96Å; R135-L138 PolarHBondContact O-N 2.94Å; R135-L139 WeakPolarHBondContact O-CG 2.94Å; R135-L139 PolarHBondContact O-N 3.11Å |
| 136 | S | 93 | Very high | 91 | Very high | 83 Ų | 83 | 79.2 Ų | 79.2 | 58% | 0.58 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | -178.9 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | A132 E133 V134 G140 | A132-S136 PolarHBondContact O-N 2.97Å; E133-S136 PolarHBondContact O-N 2.95Å; V134-S136 PolarHBondContact O-N 3.48Å; S136-G140 PolarHBondContact O-N 3.45Å |
| 137 | R | 95.8 | Very high | 90.8 | Very high | 190 Ų | 190 | 76.7 Ų | 76.7 | 72% | 0.717 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 177.1 | -74.8 | 178.1 | -175.6 | -166.3 | 4.2 | 111.8 | E133 V134 R135 H141 | E133-R137 WeakPolarHBondContact O-CB 3.49Å; E133-R137 VanDerWaalsContact O-CG 3.26Å; E133-R137 WeakPolarHBondContact O-CG 3.16Å; E133-R137 PolarHBondContact O-N 2.98Å; V134-R137 PolarHBondContact O-N 3.22Å; R135-R137 VanDerWaalsContact C-N 3.34Å; R135-R137 PolarHBondContact O-N 2.96Å; R137-H141 VanDerWaalsContact O-CB 3.28Å; R137-H141 WeakPolarHBondContact O-CB 3.41Å; R137-H141 PolarHBondContact O-N 2.98Å |
| 138 | L | 94.8 | Very high | 90.9 | Very high | 72 Ų | 72 | 82 Ų | 82 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -49 | 179.1 | 178.7 | 57.9 | 0 | 0 | 0 | 111.8 | V120 L124 V134 R135 G140 H141 L142 | V120-L138 HydrophobicContact CG1-CD2 4.26Å; L124-L138 HydrophobicContact CD1-CD2 3.97Å; V134-L138 WeakPolarHBondContact O-CB 3.09Å; V134-L138 PolarHBondContact O-N 3.12Å; R135-L138 PolarHBondContact O-N 2.94Å; L138-G140 VanDerWaalsContact C-N 3.34Å; L138-G140 PolarHBondContact O-N 3.44Å; L138-H141 WeakPolarHBondContact O-CB 3.22Å; L138-H141 PolarHBondContact O-N 3.33Å; L138-L142 HydrophobicContact CD1-CD1 4.41Å; L138-L142 HydrophobicContact CD1-CG 4.44Å; L138-L142 HydrophobicContact CG-CD1 4.4Å; L138-L142 WeakPolarHBondContact O-CG 3.44Å; L138-L142 PolarHBondContact O-N 3.39Å |
| 139 | L | 94.5 | Very high | 90.7 | Very high | 44 Ų | 44 | 74.5 Ų | 74.5 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.9 | -65.6 | 179.3 | 0 | 0 | 0 | 112 | V120 T121 L124 R135 H141 L142 S143 | V120-L139 HydrophobicContact CG1-CD2 4.26Å; T121-L139 HydrophobicContact CG2-CD1 4.26Å; T121-L139 VanDerWaalsContact OG1-CD2 3.25Å; T121-L139 WeakPolarHBondContact OG1-CD2 3.45Å; L124-L139 HydrophobicContact CD1-CD2 4.26Å; L124-L139 HydrophobicContact CD1-CG 4.34Å; R135-L139 WeakPolarHBondContact O-CG 2.94Å; R135-L139 PolarHBondContact O-N 3.11Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-L142 PolarHBondContact O-N 3.47Å; L139-S143 WeakPolarHBondContact O-CB 3.42Å; L139-S143 PolarHBondContact O-N 2.97Å; L139-S143 PolarHBondContact O-OG 2.95Å |
| 140 | G | 94.8 | Very high | 90.2 | Very high | 33 Ų | 33 | 74.5 Ų | 74.5 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S136 L138 S144 | S136-G140 PolarHBondContact O-N 3.45Å; L138-G140 VanDerWaalsContact C-N 3.34Å; L138-G140 PolarHBondContact O-N 3.44Å; G140-S144 WeakPolarHBondContact O-CB 3.41Å; G140-S144 PolarHBondContact O-N 2.9Å; G140-S144 PolarHBondContact O-OG 3.47Å |
| 141 | H | 95.6 | Very high | 89.3 | Confident | 125 Ų | 125 | 76.5 Ų | 76.5 | 58% | 0.579 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.4 | -46.8 | 175.4 | -179.1 | 70.1 | 0 | 0 | 0 | 112.1 | R137 L138 L139 S143 S144 C145 | R137-H141 VanDerWaalsContact O-CB 3.28Å; R137-H141 WeakPolarHBondContact O-CB 3.41Å; R137-H141 PolarHBondContact O-N 2.98Å; L138-H141 WeakPolarHBondContact O-CB 3.22Å; L138-H141 PolarHBondContact O-N 3.33Å; L139-H141 VanDerWaalsContact C-N 3.34Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 PolarHBondContact O-N 3.35Å; H141-S144 PolarHBondContact O-N 3.31Å; H141-C145 WeakPolarHBondContact O-CB 3.41Å; H141-C145 PolarHBondContact O-N 3.31Å |
| 142 | L | 95.1 | Very high | 87.9 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 18% | 0.183 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 177.1 | -69.8 | 171.2 | 0 | 0 | 0 | 112 | F113 M117 V120 L138 L139 S144 C145 M146 | F113-L142 WeakPolarHBondContact CE1-O 3.21Å; F113-L142 HydrophobicContact CZ-CB 4.38Å; F113-L142 HydrophobicContact CZ-CD2 4.05Å; M117-L142 HydrophobicContact CG-CB 4.16Å; M117-L142 HydrophobicContact CG-CD1 4.31Å; M117-L142 HydrophobicContact SD-CB 4.19Å; V120-L142 HydrophobicContact CB-CD1 4.39Å; V120-L142 HydrophobicContact CG1-CD1 4.02Å; L138-L142 HydrophobicContact CD1-CD1 4.41Å; L138-L142 HydrophobicContact CD1-CG 4.44Å; L138-L142 HydrophobicContact CG-CD1 4.4Å; L138-L142 WeakPolarHBondContact O-CG 3.44Å; L138-L142 PolarHBondContact O-N 3.39Å; L139-L142 PolarHBondContact O-N 3.47Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-S144 PolarHBondContact O-N 3.25Å; L142-C145 PolarHBondContact O-N 2.78Å; L142-M146 PolarHBondContact O-N 3.01Å |
| 143 | S | 92.8 | Very high | 86.4 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 42% | 0.42 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | L139 H141 M146 G147 | L139-S143 WeakPolarHBondContact O-CB 3.42Å; L139-S143 PolarHBondContact O-N 2.97Å; L139-S143 PolarHBondContact O-OG 2.95Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 PolarHBondContact O-N 3.35Å; S143-M146 PolarHBondContact O-N 3.49Å; S143-G147 PolarHBondContact O-N 3.02Å |
| 144 | S | 93 | Very high | 84.3 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.4 | -38 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | G140 H141 L142 M146 G147 Q148 | G140-S144 WeakPolarHBondContact O-CB 3.41Å; G140-S144 PolarHBondContact O-N 2.9Å; G140-S144 PolarHBondContact O-OG 3.47Å; H141-S144 PolarHBondContact O-N 3.31Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-S144 PolarHBondContact O-N 3.25Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 3.32Å; S144-G147 PolarHBondContact O-N 2.98Å; S144-G147 VanDerWaalsContact O-N 3.16Å; S144-Q148 WeakPolarHBondContact O-CG 3.43Å; S144-Q148 PolarHBondContact O-N 2.94Å |
| 145 | C | 92.9 | Very high | 82 | Confident | 51 Ų | 51 | 83 Ų | 83 | 35% | 0.345 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.2 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | F113 H141 L142 Q148 M149 | F113-C145 HydrophobicContact CZ-CB 4.38Å; H141-C145 WeakPolarHBondContact O-CB 3.41Å; H141-C145 PolarHBondContact O-N 3.31Å; L142-C145 PolarHBondContact O-N 2.78Å; C145-Q148 PolarHBondContact O-N 3.44Å; C145-M149 PolarHBondContact O-N 3.47Å |
| 146 | M | 88.3 | Confident | 79.4 | Confident | 28 Ų | 28 | 88.6 Ų | 88.6 | 14% | 0.138 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 172.8 | -173.1 | 166.1 | 54 | 0 | 0 | 113.1 | F113 N114 M117 L142 S143 S144 M149 M150 | F113-M146 HydrophobicContact CD1-CB 4.14Å; F113-M146 HydrophobicContact CD1-CG 4.38Å; F113-M146 HydrophobicContact CD1-SD 4.03Å; F113-M146 HydrophobicContact CE1-CB 3.8Å; F113-M146 HydrophobicContact CE1-SD 4.47Å; N114-M146 PolarHBondContact ND2-SD 3.41Å; M117-M146 HydrophobicContact CE-CE 3.99Å; M117-M146 HydrophobicContact SD-CE 4.36Å; L142-M146 PolarHBondContact O-N 3.01Å; S143-M146 PolarHBondContact O-N 3.49Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 3.32Å; M146-M149 HydrophobicContact CB-SD 4.46Å; M146-M149 HydrophobicContact CG-SD 4.15Å; M146-M149 WeakPolarHBondContact O-CG 3.2Å; M146-M150 VanDerWaalsContact O-CG 3.28Å; M146-M150 WeakPolarHBondContact O-CG 3.22Å; M146-M150 PolarHBondContact O-N 3.34Å |
| 147 | G | 85.9 | Confident | 77.1 | Confident | 44 Ų | 44 | 93.2 Ų | 93.2 | 45% | 0.454 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | S143 S144 M149 M150 S151 | S143-G147 PolarHBondContact O-N 3.02Å; S144-G147 PolarHBondContact O-N 2.98Å; S144-G147 VanDerWaalsContact O-N 3.16Å; G147-M149 PolarHBondContact O-N 3.05Å; G147-M150 PolarHBondContact O-N 2.86Å; G147-S151 PolarHBondContact O-N 3.22Å |
| 148 | Q | 85.3 | Confident | 74.3 | Confident | 135 Ų | 135 | 87.9 Ų | 87.9 | 63% | 0.631 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.7 | -35.8 | -179.7 | -72.3 | 176.7 | 33.7 | 0 | 0 | 112.9 | S144 C145 M150 S151 | S144-Q148 WeakPolarHBondContact O-CG 3.43Å; S144-Q148 PolarHBondContact O-N 2.94Å; C145-Q148 PolarHBondContact O-N 3.44Å; Q148-M150 VanDerWaalsContact C-N 3.27Å; Q148-M150 PolarHBondContact O-N 3.41Å; Q148-S151 PolarHBondContact O-N 2.87Å; Q148-S151 PolarHBondContact O-OG 3.41Å |
| 149 | M | 79.3 | Confident | 71.8 | Confident | 40 Ų | 40 | 90.3 Ų | 90.3 | 20% | 0.197 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -65.8 | -29.4 | 173.8 | 60.5 | 175.5 | 70 | 0 | 0 | 112.5 | Y109 F113 C145 M146 G147 T153 | Y109-M149 HydrophobicContact CD1-SD 4.33Å; Y109-M149 HydrophobicContact CE1-CE 3.67Å; Y109-M149 HydrophobicContact CE1-SD 3.9Å; F113-M149 HydrophobicContact CD2-CE 4.21Å; F113-M149 HydrophobicContact CE2-CE 4.3Å; F113-M149 HydrophobicContact CG-CE 4.43Å; C145-M149 PolarHBondContact O-N 3.47Å; M146-M149 HydrophobicContact CB-SD 4.46Å; M146-M149 HydrophobicContact CG-SD 4.15Å; M146-M149 WeakPolarHBondContact O-CG 3.2Å; G147-M149 PolarHBondContact O-N 3.05Å; M149-T153 PolarHBondContact O-OG1 3.22Å |
| 150 | M | 71.1 | Confident | 69.3 | Low | 84 Ų | 84 | 93.8 Ų | 93.8 | 41% | 0.414 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.6 | -26.2 | 179.3 | -61.5 | -67.2 | 102.3 | 0 | 0 | 112.9 | R110 M146 G147 Q148 V152 | R110-M150 HydrophobicContact CG-CE 4.43Å; M146-M150 VanDerWaalsContact O-CG 3.28Å; M146-M150 WeakPolarHBondContact O-CG 3.22Å; M146-M150 PolarHBondContact O-N 3.34Å; G147-M150 PolarHBondContact O-N 2.86Å; Q148-M150 VanDerWaalsContact C-N 3.27Å; Q148-M150 PolarHBondContact O-N 3.41Å; M150-V152 VanDerWaalsContact C-N 3.33Å |
| 151 | S | 65.8 | Low | 66.6 | Low | 90 Ų | 90 | 100.4 Ų | 100.4 | 63% | 0.629 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -76.3 | -19.6 | 179.6 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | G147 Q148 | G147-S151 PolarHBondContact O-N 3.22Å; Q148-S151 PolarHBondContact O-N 2.87Å; Q148-S151 PolarHBondContact O-OG 3.41Å |
| 152 | V | 61.5 | Low | 64.3 | Low | 122 Ų | 122 | 100 Ų | 100 | 74% | 0.739 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -83.4 | -25.2 | -177.6 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | M150 | M150-V152 VanDerWaalsContact C-N 3.33Å |
| 153 | T | 59 | Low | 61.6 | Low | 69 Ų | 69 | 103.3 Ų | 103.3 | 42% | 0.423 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -91.7 | -16.3 | -170.3 | -45.1 | 0 | 0 | 0 | 0 | 114.4 | M149 P155 | M149-T153 PolarHBondContact O-OG1 3.22Å; T153-P155 WeakPolarHBondContact O-CD 3.34Å |
| 154 | Y | 47.2 | Very low | 59.2 | Low | 198 Ų | 198 | 109.4 Ų | 109.4 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | trans | -109.5 | 98.4 | 176.5 | -107 | -90.7 | 0 | 0 | 0 | 110.8 | Q156 | Y154-Q156 PolarHBondContact O-N 3.09Å; Y154-Q156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | P | 44.7 | Very low | 56.8 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | -62.5 | 113.1 | 149.5 | 27.2 | -28.6 | 0 | 0 | 0 | 106.4 | T153 Q157 | T153-P155 WeakPolarHBondContact O-CD 3.34Å; P155-Q157 PolarHBondContact O-N 3.45Å | ||
| 156 | Q | 37.2 | Very low | 54.4 | Low | 181 Ų | 181 | 115.9 Ų | 115.9 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | trans | -52.2 | 97 | 177.3 | -179.4 | 173.6 | -18.8 | 0 | 0 | 110.6 | Y154 A158 | Y154-Q156 PolarHBondContact O-N 3.09Å; Y154-Q156 VanDerWaalsContact O-N 3.1Å; Q156-A158 PolarHBondContact O-N 3.43Å | ||
| 157 | Q | 43.8 | Very low | 52 | Low | 180 Ų | 180 | 123.8 Ų | 123.8 | 84% | 0.841 | 70% | 0.701 | S | S | * | * | trans | -75 | 110.6 | 159.6 | -82.1 | -175.1 | -38.2 | 0 | 0 | 107.3 | P155 | P155-Q157 PolarHBondContact O-N 3.45Š| ||
| 158 | A | 37.1 | Very low | 49.9 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -58 | 138 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q156 S160 | Q156-A158 PolarHBondContact O-N 3.43Å; A158-S160 PolarHBondContact O-N 3.46Å | ||
| 159 | P | 43.2 | Very low | 47.4 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | trans | -71.9 | 112 | 179.7 | 27.4 | -31 | 0 | 0 | 0 | 110.2 | Q161 | P159-Q161 PolarHBondContact O-N 3.29Š| ||
| 160 | S | 41.1 | Very low | 45.7 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -77.2 | 109 | 165.3 | 37.6 | 0 | 0 | 0 | 0 | 109.6 | A158 | A158-S160 PolarHBondContact O-N 3.46Š| ||
| 161 | Q | 38.9 | Very low | 44 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -61.6 | 140.4 | 170.3 | -69 | -88.2 | 12 | 0 | 0 | 110.8 | P159 A163 | P159-Q161 PolarHBondContact O-N 3.29Å; Q161-A163 PolarHBondContact O-N 3.11Å | ||
| 162 | P | 47.3 | Very low | 42.7 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -79.6 | 112.8 | 174.6 | 29.5 | -29.6 | 0 | 0 | 0 | 110.7 | ||||
| 163 | A | 39.4 | Very low | 41.4 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 125.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q161 | Q161-A163 PolarHBondContact O-N 3.11Š|
| 164 | H | 42 | Very low | 40.3 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 147.3 | -178.6 | -112.8 | -108.5 | 0 | 0 | 0 | 115.1 | ||
| 165 | L | 41.1 | Very low | 39.6 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141 | 168.1 | -81.3 | 155 | 0 | 0 | 0 | 113.1 | ||
| 166 | A | 44.4 | Very low | 39.3 | Very low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 63.7 | 115.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 167 | Q | 36.5 | Very low | 39.1 | Very low | 194 Ų | 194 | 140 Ų | 140 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -152.1 | 147.4 | 132.2 | -73.2 | -155.2 | -15.8 | 0 | 0 | 111.6 | ||||
| 168 | P | 42.3 | Very low | 39 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -85.8 | 139.3 | -175.4 | 34.1 | -31.6 | 0 | 0 | 0 | 112.5 | H170 | P168-H170 PolarHBondContact O-N 3.43Š| ||
| 169 | L | 32.9 | Very low | 39.1 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | -73 | 113.2 | 176 | -99.4 | 141.3 | 0 | 0 | 0 | 111.1 | ||||
| 170 | H | 42.6 | Very low | 38.5 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -78.3 | 115.6 | 161.4 | -178.4 | -174.8 | 0 | 0 | 0 | 108.3 | P168 | P168-H170 PolarHBondContact O-N 3.43Š| ||
| 171 | V | 37.1 | Very low | 38.1 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -87.6 | 112.1 | 173.7 | 175.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 172 | Q | 36.8 | Very low | 37.7 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -110.6 | 119.2 | 169.5 | -168 | 150.4 | -29.1 | 0 | 0 | 109.5 | ||||
| 173 | L | 35.9 | Very low | 37 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 130.6 | 179.9 | -168.6 | 74.3 | 0 | 0 | 0 | 110.1 | ||
| 174 | P | 35.8 | Very low | 36.5 | Very low | 120 Ų | 120 | 145 Ų | 145 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 135.4 | 172.4 | -7.7 | 25.8 | 0 | 0 | 0 | 113.1 | ||
| 175 | S | 31 | Very low | 36.7 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 166 | 166.6 | -91.7 | 0 | 0 | 0 | 0 | 113 | ||
| 176 | T | 37.9 | Very low | 36.5 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 135.4 | -165.1 | 52 | 0 | 0 | 0 | 0 | 117.4 | ||
| 177 | L | 33.1 | Very low | 35.8 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 58.3 | 163.8 | 141.9 | -71.7 | 168.2 | 0 | 0 | 0 | 121.3 | ||||
| 178 | P | 43.5 | Very low | 35.9 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | -135.8 | 164.1 | -4.6 | 28.7 | -5.2 | 0 | 0 | 0 | 118.1 | ||||
| 179 | I | 39.3 | Very low | 35.7 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | 39.7 | 121.7 | 142.8 | -60.1 | 167.6 | 0 | 0 | 0 | 121.1 | ||||
| 180 | S | 29.3 | Very low | 36 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | -166.2 | 142.9 | 125.9 | -163.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 181 | S | 33.1 | Very low | 36.1 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -78.9 | 142.8 | -169.1 | -44.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 182 | K | 30.2 | Very low | 36.5 | Very low | 211 Ų | 211 | 134.1 Ų | 134.1 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -170.3 | 130.5 | 136.2 | -135.9 | 173.2 | 177.5 | 178.2 | 0 | 113.2 | ||||
| 183 | L | 32.3 | Very low | 37 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | trans | -75.3 | 136 | 171.5 | -74.5 | 145.8 | 0 | 0 | 0 | 111.4 | ||||
| 184 | S | 29.7 | Very low | 37.6 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -168.3 | 153.4 | 132.6 | -121.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 185 | P | 45.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -96.3 | 165.4 | -163.9 | 38.4 | -32 | 0 | 0 | 0 | 112.6 | ||||
| 186 | A | 38.3 | Very low | 39.6 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 80.4 | 87.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 187 | E | 29.1 | Very low | 40.3 | Very low | 192 Ų | 192 | 124.9 Ų | 124.9 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | -146.3 | 121.8 | 131 | -112.2 | -178.5 | 108.3 | 0 | 0 | 108.3 | V189 | E187-V189 PolarHBondContact O-N 3.31Š| ||
| 188 | A | 39 | Very low | 41.7 | Very low | 98 Ų | 98 | 120.5 Ų | 120.5 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -65.5 | 100.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | S190 | A188-S190 PolarHBondContact O-N 3.18Š| ||
| 189 | V | 37.3 | Very low | 42.2 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 79% | 0.788 | 70% | 0.698 | S | S | * | * | trans | -64 | 105.5 | 165.4 | 169.3 | 0 | 0 | 0 | 0 | 106.9 | E187 P191 | E187-V189 PolarHBondContact O-N 3.31Å; V189-P191 WeakPolarHBondContact O-CD 3.37Å | ||
| 190 | S | 38.8 | Very low | 43.5 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | trans | -55.7 | 119.9 | 172.7 | -65.8 | 0 | 0 | 0 | 0 | 108.1 | A188 K192 | A188-S190 PolarHBondContact O-N 3.18Å; S190-K192 PolarHBondContact O-N 2.98Å; S190-K192 VanDerWaalsContact O-N 3.08Å | ||
| 191 | P | 44.8 | Very low | 44.6 | Very low | 59 Ų | 59 | 112.6 Ų | 112.6 | 38% | 0.383 | 67% | 0.666 | S | S | . | * | trans | -72.3 | 115.1 | -171.7 | 29.7 | -35.7 | 0 | 0 | 0 | 108.8 | V189 V193 Q198 | V189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-V193 PolarHBondContact O-N 2.82Å; P191-V193 VanDerWaalsContact O-N 3.15Å; P191-Q198 VanDerWaalsContact CB-CD 3.47Å; P191-Q198 HydrophobicContact CB-CG 3.99Å; P191-Q198 HydrophobicContact CG-CG 4.3Å; P191-Q198 PolarHBondContact O-NE2 3.39Å | ||
| 192 | K | 47.1 | Very low | 45.8 | Very low | 184 Ų | 184 | 109.3 Ų | 109.3 | 80% | 0.8 | 65% | 0.646 | S | S | * | * | trans | -66 | 113.7 | 176.8 | -117.4 | 95 | 171.5 | -173.2 | 0 | 107.7 | S190 | S190-K192 PolarHBondContact O-N 2.98Å; S190-K192 VanDerWaalsContact O-N 3.08Å | ||
| 193 | V | 45.8 | Very low | 46.7 | Very low | 90 Ų | 90 | 107 Ų | 107 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 119.8 | 173.7 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | P191 | P191-V193 PolarHBondContact O-N 2.82Å; P191-V193 VanDerWaalsContact O-N 3.15Å |
| 194 | F | 48.3 | Very low | 47.9 | Very low | 190 Ų | 190 | 103.4 Ų | 103.4 | 83% | 0.833 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112 | 113.9 | 169.8 | -134.5 | -93.5 | 0 | 0 | 0 | 107.4 | G196 F197 | F194-G196 VanDerWaalsContact C-N 3.3Å; F194-G196 PolarHBondContact O-N 3.17Å; F194-F197 PolarHBondContact O-N 3.33Å |
| 195 | G | 52.4 | Low | 49.3 | Very low | 72 Ų | 72 | 100.5 Ų | 100.5 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.7 | 26.8 | 175 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 196 | G | 58.1 | Low | 49.8 | Very low | 47 Ų | 47 | 100 Ų | 100 | 49% | 0.485 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 92.4 | 2.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | F194 | F194-G196 VanDerWaalsContact C-N 3.3Å; F194-G196 PolarHBondContact O-N 3.17Å |
| 197 | F | 51.5 | Low | 51 | Low | 93 Ų | 93 | 102 Ų | 102 | 41% | 0.408 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 139 | 176.5 | -57.4 | -80.7 | 0 | 0 | 0 | 111.1 | F194 I211 | F194-F197 PolarHBondContact O-N 3.33Å; F197-I211 HydrophobicContact CD1-CB 4.32Å; F197-I211 HydrophobicContact CD1-CG1 3.79Å; F197-I211 HydrophobicContact CD1-CG2 4.44Å; F197-I211 HydrophobicContact CE1-CB 4.26Å; F197-I211 HydrophobicContact CE1-CD1 4.24Å; F197-I211 HydrophobicContact CE1-CG1 3.77Å; F197-I211 HydrophobicContact CE1-CG2 3.96Å |
| 198 | Q | 63 | Low | 52.6 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 31% | 0.308 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 117 | 178.1 | -174.2 | 104.2 | 101.3 | 0 | 0 | 109.3 | P191 V200 L210 | P191-Q198 VanDerWaalsContact CB-CD 3.47Å; P191-Q198 HydrophobicContact CB-CG 3.99Å; P191-Q198 HydrophobicContact CG-CG 4.3Å; P191-Q198 PolarHBondContact O-NE2 3.39Å; Q198-V200 HydrophobicContact CG-CG2 4.23Å; Q198-L210 HydrophobicContact CB-CB 4.11Å; Q198-L210 HydrophobicContact CB-CD1 4.47Å; Q198-L210 HydrophobicContact CG-CD1 4.34Å; Q198-L210 PolarHBondContact N-O 3.41Å; Q198-L210 PolarHBondContact O-N 3.37Å |
| 199 | L | 54.6 | Low | 53.8 | Low | 64 Ų | 64 | 97.6 Ų | 97.6 | 34% | 0.335 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.4 | 176.3 | -162.7 | 71.7 | 0 | 0 | 0 | 109.5 | F207 A208 F209 | L199-F207 HydrophobicContact CD1-CB 3.86Å; L199-F207 HydrophobicContact CD2-CB 4.36Å; L199-F207 HydrophobicContact CD2-CD1 3.87Å; L199-F207 HydrophobicContact CD2-CG 4.35Å; L199-F207 HydrophobicContact CG-CB 4.17Å; L199-F207 HydrophobicContact CG-CD1 4.16Å; L199-A208 WeakPolarHBondContact CA-O 3.24Å; L199-F209 HydrophobicContact CD1-CD1 3.56Å; L199-F209 HydrophobicContact CD1-CD2 4.01Å; L199-F209 HydrophobicContact CD1-CE1 3.41Å; L199-F209 VanDerWaalsContact CD1-CE1 3.41Å; L199-F209 HydrophobicContact CD1-CE2 3.86Å; L199-F209 HydrophobicContact CD1-CG 3.86Å; L199-F209 HydrophobicContact CD1-CZ 3.56Å |
| 200 | V | 64.8 | Low | 55 | Low | 61 Ų | 61 | 95.5 Ų | 95.5 | 37% | 0.37 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.9 | 176.8 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | Q198 A202 A208 L210 | Q198-V200 HydrophobicContact CG-CG2 4.23Å; V200-A202 PolarHBondContact O-N 3.34Å; V200-A208 PolarHBondContact N-O 3.31Å; V200-A208 PolarHBondContact O-N 3.27Å; V200-L210 HydrophobicContact CB-CD1 4.37Å; V200-L210 HydrophobicContact CG2-CD1 3.56Å |
| 201 | P | 54.1 | Low | 56.1 | Low | 94 Ų | 94 | 97 Ų | 97 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.1 | 174.3 | 26.8 | -31 | 0 | 0 | 0 | 110.2 | ||
| 202 | A | 57.2 | Low | 56.2 | Low | 40 Ų | 40 | 98.6 Ų | 98.6 | 33% | 0.331 | 56% | 0.561 | S | S | . | * | trans | -84.4 | 155 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V200 D204 G205 Q206 | V200-A202 PolarHBondContact O-N 3.34Å; A202-D204 WeakPolarHBondContact CB-OD1 3.14Å; A202-D204 PolarHBondContact O-N 2.78Å; A202-G205 PolarHBondContact O-N 2.96Å; A202-G205 VanDerWaalsContact O-N 3.1Å; A202-Q206 VanDerWaalsContact CB-O 3.32Å; A202-Q206 WeakPolarHBondContact CB-O 3.35Å; A202-Q206 PolarHBondContact N-O 2.87Å | ||
| 203 | T | 50 | Low | 56 | Low | 161 Ų | 161 | 96.8 Ų | 96.8 | 99% | 0.988 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -5.1 | -174.3 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 204 | D | 57.5 | Low | 55.8 | Low | 97 Ų | 97 | 97.4 Ų | 97.4 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.2 | 6.1 | 177.7 | 68.7 | -15.8 | 0 | 0 | 0 | 113.4 | A202 Q206 | A202-D204 WeakPolarHBondContact CB-OD1 3.14Å; A202-D204 PolarHBondContact O-N 2.78Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.47Å; D204-Q206 PolarHBondContact OD1-N 2.98Å; D204-Q206 VanDerWaalsContact OD1-N 3.1Å; D204-Q206 PolarHBondContact OD2-NE2 2.96Å |
| 205 | G | 57.8 | Low | 55.7 | Low | 61 Ų | 61 | 94.2 Ų | 94.2 | 63% | 0.629 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 85 | 4.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A202 | A202-G205 PolarHBondContact O-N 2.96Å; A202-G205 VanDerWaalsContact O-N 3.1Å |
| 206 | Q | 57.3 | Low | 55.1 | Low | 106 Ų | 106 | 100.7 Ų | 100.7 | 50% | 0.495 | 57% | 0.572 | S | S | . | * | trans | -85.8 | 154.4 | 171.3 | -60.8 | -171.6 | 64.8 | 0 | 0 | 111.3 | A202 D204 | A202-Q206 VanDerWaalsContact CB-O 3.32Å; A202-Q206 WeakPolarHBondContact CB-O 3.35Å; A202-Q206 PolarHBondContact N-O 2.87Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.47Å; D204-Q206 PolarHBondContact OD1-N 2.98Å; D204-Q206 VanDerWaalsContact OD1-N 3.1Å; D204-Q206 PolarHBondContact OD2-NE2 2.96Å | ||
| 207 | F | 62.1 | Low | 54 | Low | 141 Ų | 141 | 102.7 Ų | 102.7 | 62% | 0.618 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.4 | 176.9 | -63 | -87.4 | 0 | 0 | 0 | 110.2 | L199 | L199-F207 HydrophobicContact CD1-CB 3.86Å; L199-F207 HydrophobicContact CD2-CB 4.36Å; L199-F207 HydrophobicContact CD2-CD1 3.87Å; L199-F207 HydrophobicContact CD2-CG 4.35Å; L199-F207 HydrophobicContact CG-CB 4.17Å; L199-F207 HydrophobicContact CG-CD1 4.16Å |
| 208 | A | 63.6 | Low | 53.3 | Low | 50 Ų | 50 | 103.3 Ų | 103.3 | 41% | 0.413 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L199 V200 | L199-A208 WeakPolarHBondContact CA-O 3.24Å; V200-A208 PolarHBondContact N-O 3.31Å; V200-A208 PolarHBondContact O-N 3.27Å |
| 209 | F | 63 | Low | 51.9 | Low | 148 Ų | 148 | 107 Ų | 107 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.5 | 173.1 | -64.5 | -94.1 | 0 | 0 | 0 | 109.5 | L199 | L199-F209 HydrophobicContact CD1-CD1 3.56Å; L199-F209 HydrophobicContact CD1-CD2 4.01Å; L199-F209 HydrophobicContact CD1-CE1 3.41Å; L199-F209 VanDerWaalsContact CD1-CE1 3.41Å; L199-F209 HydrophobicContact CD1-CE2 3.86Å; L199-F209 HydrophobicContact CD1-CG 3.86Å; L199-F209 HydrophobicContact CD1-CZ 3.56Å |
| 210 | L | 63.6 | Low | 51.4 | Low | 86 Ų | 86 | 108.7 Ų | 108.7 | 45% | 0.45 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 118 | 171.7 | -74.2 | 150.2 | 0 | 0 | 0 | 108.9 | Q198 V200 | Q198-L210 HydrophobicContact CB-CB 4.11Å; Q198-L210 HydrophobicContact CB-CD1 4.47Å; Q198-L210 HydrophobicContact CG-CD1 4.34Å; Q198-L210 PolarHBondContact N-O 3.41Å; Q198-L210 PolarHBondContact O-N 3.37Å; V200-L210 HydrophobicContact CB-CD1 4.37Å; V200-L210 HydrophobicContact CG2-CD1 3.56Å |
| 211 | I | 61.4 | Low | 50 | Low | 127 Ų | 127 | 111.9 Ų | 111.9 | 65% | 0.651 | 67% | 0.67 | S | S | * | * | trans | -95.2 | 115.9 | 173 | -54.1 | -177.9 | 0 | 0 | 0 | 107.7 | F197 N213 | F197-I211 HydrophobicContact CD1-CB 4.32Å; F197-I211 HydrophobicContact CD1-CG1 3.79Å; F197-I211 HydrophobicContact CD1-CG2 4.44Å; F197-I211 HydrophobicContact CE1-CB 4.26Å; F197-I211 HydrophobicContact CE1-CD1 4.24Å; F197-I211 HydrophobicContact CE1-CG1 3.77Å; F197-I211 HydrophobicContact CE1-CG2 3.96Å; I211-N213 PolarHBondContact O-N 2.99Å | ||
| 212 | P | 46.5 | Very low | 49.7 | Very low | 93 Ų | 93 | 114.1 Ų | 114.1 | 60% | 0.604 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 120.9 | 171.4 | -14.1 | 28.4 | 0 | 0 | 0 | 109.4 | ||
| 213 | N | 43.2 | Very low | 48.7 | Very low | 145 Ų | 145 | 116.2 Ų | 116.2 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 130.4 | 169.6 | -164.2 | 43 | 0 | 0 | 0 | 108.5 | I211 | I211-N213 PolarHBondContact O-N 2.99Š|
| 214 | P | 42.9 | Very low | 48.1 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 133.9 | 175.8 | 24.5 | -31.6 | 0 | 0 | 0 | 109.9 | F216 | P214-F216 PolarHBondContact O-N 3.26Š|
| 215 | P | 46 | Very low | 47.4 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 119.8 | -167.8 | 28.1 | -33.1 | 0 | 0 | 0 | 111.3 | ||
| 216 | F | 39.3 | Very low | 46.4 | Very low | 208 Ų | 208 | 119.6 Ų | 119.6 | 91% | 0.912 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 135.3 | 144.9 | -120.1 | -96.2 | 0 | 0 | 0 | 107 | P214 S218 | P214-F216 PolarHBondContact O-N 3.26Å; F216-S218 PolarHBondContact O-N 2.99Å |
| 217 | A | 35.3 | Very low | 45.6 | Very low | 89 Ų | 89 | 118.6 Ų | 118.6 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -49.2 | 131.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 218 | S | 37.4 | Very low | 44.7 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | 32.1 | 115.2 | 150.2 | -53.6 | 0 | 0 | 0 | 0 | 118.7 | F216 | F216-S218 PolarHBondContact O-N 2.99Š| ||
| 219 | T | 32.2 | Very low | 43.8 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | 178.3 | 147.9 | 109 | 30.9 | 0 | 0 | 0 | 0 | 109.5 | T221 | T219-T221 PolarHBondContact O-N 2.97Š| |||
| 220 | A | 44.9 | Very low | 42.5 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -51.7 | 115.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 221 | T | 35.3 | Very low | 41.2 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -162.3 | 134 | 143.6 | -24.4 | 0 | 0 | 0 | 0 | 109.6 | T219 A223 | T219-T221 PolarHBondContact O-N 2.97Å; T221-A223 PolarHBondContact O-N 3.24Å; T221-A223 VanDerWaalsContact O-N 3.1Å | ||
| 222 | T | 48.2 | Very low | 40.1 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | -53.8 | 107.5 | 173 | 46.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 223 | A | 36.1 | Very low | 40 | Very low | 83 Ų | 83 | 123.9 Ų | 123.9 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -102 | 142.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T221 V225 | T221-A223 PolarHBondContact O-N 3.24Å; T221-A223 VanDerWaalsContact O-N 3.1Å; A223-V225 PolarHBondContact O-N 2.92Å |
| 224 | P | 36.6 | Very low | 39.7 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 127.1 | -169.3 | 27.8 | -33.6 | 0 | 0 | 0 | 112.3 | I226 | P224-I226 PolarHBondContact O-N 3.33Š|
| 225 | V | 42.7 | Very low | 39.4 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 118.5 | 171.1 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | A223 P227 | A223-V225 PolarHBondContact O-N 2.92Å; V225-P227 VanDerWaalsContact O-CD 3.3Å; V225-P227 WeakPolarHBondContact O-CD 3.08Å |
| 226 | I | 37.3 | Very low | 39 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -97.6 | 108.1 | 175.8 | -56.1 | 174.6 | 0 | 0 | 0 | 108.3 | P224 L228 | P224-I226 PolarHBondContact O-N 3.33Å; I226-L228 PolarHBondContact O-N 3.1Å | ||
| 227 | P | 40.9 | Very low | 38.9 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 55% | 0.545 | 78% | 0.778 | S | S | . | * | trans | -74.1 | 124.4 | 173.6 | 27.4 | -30.4 | 0 | 0 | 0 | 110.2 | V225 F229 | V225-P227 VanDerWaalsContact O-CD 3.3Å; V225-P227 WeakPolarHBondContact O-CD 3.08Å; P227-F229 HydrophobicContact CB-CE2 4.07Å; P227-F229 HydrophobicContact CB-CZ 4.13Å; P227-F229 HydrophobicContact CG-CE2 3.99Å; P227-F229 HydrophobicContact CG-CZ 4.21Å | ||
| 228 | L | 42 | Very low | 39 | Very low | 167 Ų | 167 | 123.2 Ų | 123.2 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -96.7 | 108.4 | 172.4 | -168.4 | 74 | 0 | 0 | 0 | 109.3 | I226 | I226-L228 PolarHBondContact O-N 3.1Š| ||
| 229 | F | 44.4 | Very low | 38.8 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 63% | 0.632 | 78% | 0.784 | S | S | * | * | trans | -80.7 | 126.3 | 174.9 | -59.5 | -84.3 | 0 | 0 | 0 | 109.8 | P227 N231 | P227-F229 HydrophobicContact CB-CE2 4.07Å; P227-F229 HydrophobicContact CB-CZ 4.13Å; P227-F229 HydrophobicContact CG-CE2 3.99Å; P227-F229 HydrophobicContact CG-CZ 4.21Å; F229-N231 PolarHBondContact O-N 3.47Å | ||
| 230 | S | 36.5 | Very low | 38.8 | Very low | 132 Ų | 132 | 123 Ų | 123 | 92% | 0.923 | 78% | 0.781 | S | S | * | * | trans | -75.1 | 91.7 | 169.8 | -77.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 231 | N | 35.5 | Very low | 38.1 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -92.7 | 122.5 | 162.5 | -166.9 | 23.8 | 0 | 0 | 0 | 109 | F229 G233 | F229-N231 PolarHBondContact O-N 3.47Å; N231-G233 PolarHBondContact O-N 3.28Å; N231-G233 VanDerWaalsContact O-N 3.1Å | ||
| 232 | A | 39.8 | Very low | 38.3 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -65.7 | 109.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 233 | G | 43.8 | Very low | 37.6 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 108.1 | 72 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118 | N231 | N231-G233 PolarHBondContact O-N 3.28Å; N231-G233 VanDerWaalsContact O-N 3.1Å |
| 234 | V | 35.8 | Very low | 37.5 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -172 | 137.2 | 136.7 | -109.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 235 | P | 37.3 | Very low | 37.1 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 120.6 | 172.5 | 31 | -30 | 0 | 0 | 0 | 111.1 | ||
| 236 | I | 38.6 | Very low | 36.5 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -90 | 124.7 | 163.8 | -73.2 | 171.3 | 0 | 0 | 0 | 108.3 | ||
| 237 | A | 36 | Very low | 36.2 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 129.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 238 | V | 37.9 | Very low | 35.9 | Very low | 139 Ų | 139 | 122.5 Ų | 122.5 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -106.9 | 112 | 167 | -70.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 239 | N | 32 | Very low | 35.7 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -82.1 | 124 | 170.6 | -177.5 | 49.7 | 0 | 0 | 0 | 108.1 | ||||
| 240 | A | 33.7 | Very low | 35 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -117.8 | 102.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 241 | S | 30.8 | Very low | 34.6 | Very low | 88 Ų | 88 | 119.2 Ų | 119.2 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 134.2 | 164.4 | -58 | 0 | 0 | 0 | 0 | 108.6 | ||
| 242 | P | 38.1 | Very low | 34.3 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 123.7 | 167.1 | -0.3 | 19.4 | 0 | 0 | 0 | 109.7 | ||
| 243 | V | 33.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 117.7 Ų | 117.7 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 119.7 | 168.5 | -161.3 | 0 | 0 | 0 | 0 | 106.7 | ||
| 244 | H | 34.8 | Very low | 33.7 | Very low | 182 Ų | 182 | 119.6 Ų | 119.6 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -122.5 | 118.1 | 165 | -102.9 | -81.4 | 0 | 0 | 0 | 108.7 | ||||
| 245 | G | 28.1 | Very low | 33.4 | Very low | 61 Ų | 61 | 119.1 Ų | 119.1 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -98.6 | 149.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 246 | S | 29.4 | Very low | 33.1 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 119.6 | 121.9 | 148.1 | -63.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 247 | S | 32.2 | Very low | 32.6 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 76.3 | 108.6 | 148.1 | 48.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 248 | A | 33.3 | Very low | 32.3 | Very low | 91 Ų | 91 | 122 Ų | 122 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -71.8 | 171.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 249 | P | 38.1 | Very low | 32.1 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -138.9 | 161.8 | 89.1 | 32.6 | -15 | 0 | 0 | 0 | 116.8 | |||||
| 250 | T | 29.8 | Very low | 31.9 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -27.5 | 140.7 | 169.1 | 48.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 251 | A | 29.3 | Very low | 31.7 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -157.6 | 151.4 | 135 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 252 | A | 29.5 | Very low | 31.6 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -91.5 | 155.7 | -151.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 253 | S | 26.8 | Very low | 31.1 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | 1.4 | 171.7 | 141.1 | -103 | 0 | 0 | 0 | 0 | 122 | ||||
| 254 | P | 42.7 | Very low | 30.9 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | cis | -142.6 | 167.6 | 6.3 | 32.6 | -9.2 | 0 | 0 | 0 | 118.5 | ||||
| 255 | V | 31 | Very low | 30.6 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | trans | 21.5 | 138 | 140.6 | 95 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 256 | H | 30.3 | Very low | 30.6 | Very low | 187 Ų | 187 | 126.7 Ų | 126.7 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | 167.9 | 140.1 | 137.8 | -89 | 95.7 | 0 | 0 | 0 | 106.1 | ||||
| 257 | G | 28.3 | Very low | 30.5 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | cis | -179.8 | 153.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 258 | M | 30.1 | Very low | 30.4 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -71.9 | 141.3 | 179.3 | -58.5 | 163.5 | 63 | 0 | 0 | 111.2 | ||||
| 259 | T | 33.2 | Very low | 30.3 | Very low | 145 Ų | 145 | 129 Ų | 129 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -152.7 | 139.3 | 137.4 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 260 | S | 27.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -114.3 | 143.1 | 175.4 | -170.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 261 | F | 29.9 | Very low | 31.1 | Very low | 197 Ų | 197 | 128.7 Ų | 128.7 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -147 | 138.8 | 154.8 | 63.5 | -95.7 | 0 | 0 | 0 | 111 | ||||
| 262 | A | 27.7 | Very low | 31.3 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -78.2 | 154.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 263 | G | 28.2 | Very low | 31.5 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -151.3 | 125.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 264 | V | 28.9 | Very low | 31.8 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -99.9 | 148.1 | -159.6 | 114.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 265 | S | 27.9 | Very low | 31.5 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | 58.3 | 126.6 | 151.9 | -63 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 266 | Q | 29.1 | Very low | 31.6 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | -170.8 | 142.6 | 92.6 | -97.4 | -162.5 | 3.2 | 0 | 0 | 112.7 | |||||
| 267 | V | 27.4 | Very low | 32 | Very low | 137 Ų | 137 | 124 Ų | 124 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -109.5 | 133.1 | 171.3 | 155.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 268 | V | 29.8 | Very low | 32.4 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -155.3 | 129.3 | 146.8 | -151 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 269 | S | 30.8 | Very low | 33.3 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -126.7 | -174.9 | 159.3 | -60 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 270 | P | 54.3 | Low | 33.6 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | cis | -138.2 | -177.3 | -9.5 | 35.4 | -13.9 | 0 | 0 | 0 | 114.5 | ||||
| 271 | V | 31.5 | Very low | 34.2 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 147.3 | 131.4 | 152.5 | 148.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 272 | G | 33.5 | Very low | 35.2 | Very low | 66 Ų | 66 | 121.2 Ų | 121.2 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | 122 | 83.8 | 5.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 273 | V | 33.3 | Very low | 36.3 | Very low | 152 Ų | 152 | 121.6 Ų | 121.6 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -147.8 | 135.8 | 157.5 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 274 | N | 33.5 | Very low | 37.7 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -105.4 | 137.1 | -172.2 | -172.7 | 44.5 | 0 | 0 | 0 | 110.9 | ||||
| 275 | A | 36.3 | Very low | 38.9 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -170.5 | 128.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 276 | G | 32.2 | Very low | 40.2 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | 127.6 | 104.8 | 24.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 277 | A | 39.3 | Very low | 41.3 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 62.4 | 112.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 278 | E | 36.5 | Very low | 42 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | -174.6 | 119.7 | 104.7 | -99.4 | -166.2 | 87.7 | 0 | 0 | 110.1 | S280 | E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.31Å | |||
| 279 | S | 47.8 | Very low | 42.6 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -74.7 | 88.3 | 168.4 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 280 | S | 41 | Very low | 43.3 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -96.7 | 99.2 | 162.5 | -76.9 | 0 | 0 | 0 | 0 | 108.5 | E278 A282 | E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.31Å; S280-A282 PolarHBondContact O-N 3.39Å | ||
| 281 | E | 40.2 | Very low | 42.6 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -54.1 | 106.6 | 163.3 | -80.3 | 179.7 | 97.4 | 0 | 0 | 108.1 | V283 | E281-V283 PolarHBondContact O-N 2.73Š| ||
| 282 | A | 49.6 | Very low | 43.3 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -67.1 | 85.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | S280 W284 | S280-A282 PolarHBondContact O-N 3.39Å; A282-W284 PolarHBondContact O-N 3.05Å | ||
| 283 | V | 50.6 | Low | 44 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 66% | 0.655 | 81% | 0.809 | S | S | * | * | trans | -56.7 | 103.2 | 168.6 | 175.3 | 0 | 0 | 0 | 0 | 106.8 | E281 R285 | E281-V283 PolarHBondContact O-N 2.73Å; V283-R285 PolarHBondContact O-N 3.07Å; V283-R285 VanDerWaalsContact O-N 3.11Å | ||
| 284 | W | 57.7 | Low | 44.7 | Very low | 194 Ų | 194 | 144 Ų | 144 | 74% | 0.735 | 80% | 0.801 | S | S | * | * | trans | -46.6 | 118.7 | 169.5 | -92.6 | 82.3 | 0 | 0 | 0 | 109.6 | A282 | A282-W284 PolarHBondContact O-N 3.05Š| ||
| 285 | R | 55.1 | Low | 45.6 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -112.5 | 123.9 | 166.3 | -68.7 | -162.5 | -178.5 | -99.9 | 1.2 | 109.1 | V283 W287 | V283-R285 PolarHBondContact O-N 3.07Å; V283-R285 VanDerWaalsContact O-N 3.11Å; R285-W287 PolarHBondContact O-N 3.4Å | ||
| 286 | P | 55.8 | Low | 46.4 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -85 | 111.7 | 174.1 | 30.9 | -26.3 | 0 | 0 | 0 | 109.4 | ||||
| 287 | W | 50.8 | Low | 47.7 | Very low | 305 Ų | 305 | 153.7 Ų | 153.7 | 100% | 1.155 | 80% | 0.803 | S | S | * | * | trans | -152.6 | 0 | 136.3 | 45.9 | -92.3 | 0 | 0 | 0 | 108.3 | R285 | R285-W287 PolarHBondContact O-N 3.4Š|
Retrieved 287 of 287 residues in 70.9 ms
(Link to these results)