| 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 | 43.1 | Very low | 50.3 | Low | 240 Ų | 240 | 165.8 Ų | 165.8 | 100% | 1.182 | 86% | 0.855 | S | S | * | * | 0 | 101.5 | 0 | -74.7 | 170.4 | 155.5 | 0 | 0 | 108.9 | |||||
| 2 | T | 49.7 | Very low | 50.7 | Low | 146 Ų | 146 | 162 Ų | 162 | 90% | 0.896 | 84% | 0.837 | S | S | * | * | trans | -158 | 66.7 | -178.6 | 24.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3 | G | 49.1 | Very low | 51 | Low | 80 Ų | 80 | 156.4 Ų | 156.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -74.3 | 126.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | R | 54.5 | Low | 50.7 | Low | 233 Ų | 233 | 154.9 Ų | 154.9 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -95.8 | 101.8 | -171.8 | -164.6 | -178.5 | -156.5 | 170 | 7.4 | 111.9 | ||||
| 5 | I | 48.7 | Very low | 50.6 | Low | 155 Ų | 155 | 157 Ų | 157 | 80% | 0.795 | 82% | 0.818 | S | S | * | * | trans | -63.4 | 135.8 | 171.4 | -59.3 | 171.4 | 0 | 0 | 0 | 109.9 | ||||
| 6 | K | 56.6 | Low | 50 | Low | 170 Ų | 170 | 155.2 Ų | 155.2 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | trans | -160 | 94.5 | 157.7 | -115.5 | 170.7 | -172.9 | -169.6 | 0 | 114.3 | ||||
| 7 | N | 50.2 | Low | 49.9 | Very low | 141 Ų | 141 | 155.8 Ų | 155.8 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | trans | 63 | 126.4 | 139.2 | -54.1 | 10.9 | 0 | 0 | 0 | 120.6 | ||||
| 8 | H | 46.7 | Very low | 49.3 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | -70.7 | 158.7 | 163.4 | -69.9 | -105.8 | 0 | 0 | 0 | 112.6 | ||||
| 9 | T | 60.2 | Low | 49.2 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -125 | 148 | 152.8 | 49 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 10 | P | 49.4 | Very low | 48.6 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -84.3 | 155.7 | -166.4 | 32.5 | -36.1 | 0 | 0 | 0 | 114.5 | ||||
| 11 | Y | 44.7 | Very low | 48.3 | Very low | 211 Ų | 211 | 150.1 Ų | 150.1 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -70.1 | 139.7 | 174.8 | 179.1 | -100.6 | 0 | 0 | 0 | 112.1 | P13 | Y11-P13 HydrophobicContact CE1-CB 4.02Š| ||
| 12 | N | 55.8 | Low | 48.1 | Very low | 120 Ų | 120 | 146 Ų | 146 | 64% | 0.642 | 79% | 0.791 | S | S | * | * | trans | -127.2 | 117.6 | 176 | -177.1 | -23.2 | 0 | 0 | 0 | 109.2 | N14 | N12-N14 VanDerWaalsContact C-N 3.33Å; N12-N14 PolarHBondContact O-N 3.39Å; N12-N14 PolarHBondContact OD1-N 3.34Å | ||
| 13 | P | 54.3 | Low | 47.8 | Very low | 89 Ų | 89 | 145.3 Ų | 145.3 | 58% | 0.578 | 78% | 0.78 | S | S | * | * | trans | -81.6 | 0.2 | -168.7 | 32.2 | -36.2 | 0 | 0 | 0 | 115.5 | Y11 M15 | Y11-P13 HydrophobicContact CE1-CB 4.02Å; P13-M15 PolarHBondContact O-N 3.12Å | ||
| 14 | N | 47.4 | Very low | 47.4 | Very low | 136 Ų | 136 | 152.2 Ų | 152.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -85.1 | 59.3 | -163.1 | -67.2 | -11.6 | 0 | 0 | 0 | 115.2 | N12 | N12-N14 VanDerWaalsContact C-N 3.33Å; N12-N14 PolarHBondContact O-N 3.39Å; N12-N14 PolarHBondContact OD1-N 3.34Å | ||
| 15 | M | 48.3 | Very low | 46.8 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -126.8 | 80.2 | 164.7 | -81.6 | -154.4 | -175.9 | 0 | 0 | 112.8 | P13 | P13-M15 PolarHBondContact O-N 3.12Š| ||
| 16 | T | 40.9 | Very low | 46.7 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -100.1 | 94.2 | 169.6 | -52.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | I | 48.3 | Very low | 46.4 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -132.5 | 98.5 | 161.5 | -58.3 | -176.5 | 0 | 0 | 0 | 108.9 | ||||
| 18 | T | 40.4 | Very low | 46.5 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -88.4 | 116.9 | 178.6 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 19 | S | 46.4 | Very low | 46.8 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 179.1 | 108.8 | 142.8 | 54.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 20 | N | 38.4 | Very low | 46.3 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 53.2 | 147.7 | 123.7 | -49.8 | -2.5 | 0 | 0 | 0 | 122 | |||||
| 21 | N | 41.3 | Very low | 46.6 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 71.9 | 75.5 | 166.6 | -63.4 | -2.2 | 0 | 0 | 0 | 117.8 | I23 | N21-I23 PolarHBondContact O-N 2.99Š| ||
| 22 | T | 39.8 | Very low | 47.3 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -72.1 | 47.3 | 172.2 | -33.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 23 | I | 43 | Very low | 47.1 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 68% | 0.677 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -129.7 | 111.9 | -173.3 | -64.8 | -178.1 | 0 | 0 | 0 | 110.9 | N21 G25 | N21-I23 PolarHBondContact O-N 2.99Å; I23-G25 PolarHBondContact O-N 3.48Å |
| 24 | Y | 39.8 | Very low | 46.6 | Very low | 225 Ų | 225 | 139.6 Ų | 139.6 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 54.3 | 44.2 | 171.9 | -61 | -65.3 | 0 | 0 | 0 | 118 | N26 | Y24-N26 PolarHBondContact O-N 3.3Š|
| 25 | G | 42 | Very low | 47 | Very low | 57 Ų | 57 | 142.3 Ų | 142.3 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | trans | -85.5 | 101.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114 | I23 T27 | I23-G25 PolarHBondContact O-N 3.48Å; G25-T27 PolarHBondContact O-N 3.08Å | ||
| 26 | N | 46.1 | Very low | 47.1 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -73.9 | 60.9 | 154.3 | -91.8 | -11.4 | 0 | 0 | 0 | 108.9 | Y24 L28 | Y24-N26 PolarHBondContact O-N 3.3Å; N26-L28 PolarHBondContact O-N 3.46Å | ||
| 27 | T | 51.9 | Low | 47.8 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 64% | 0.638 | 79% | 0.785 | S | S | * | * | trans | -70.2 | 98 | -171.1 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | G25 L29 | G25-T27 PolarHBondContact O-N 3.08Å; T27-L29 HydrophobicContact CG2-CD2 3.84Å; T27-L29 HydrophobicContact CG2-CG 4.18Å; T27-L29 PolarHBondContact O-N 2.96Å | ||
| 28 | L | 52.5 | Low | 48 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -64.7 | 84.6 | 166 | -73.2 | 170.2 | 0 | 0 | 0 | 108.5 | N26 I30 | N26-L28 PolarHBondContact O-N 3.46Å; L28-I30 VanDerWaalsContact C-N 3.32Å; L28-I30 PolarHBondContact O-N 3.2Å | ||
| 29 | L | 51.3 | Low | 49.1 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -63.8 | 97.8 | 165.6 | -67.1 | 179.7 | 0 | 0 | 0 | 107.6 | T27 T31 | T27-L29 HydrophobicContact CG2-CD2 3.84Å; T27-L29 HydrophobicContact CG2-CG 4.18Å; T27-L29 PolarHBondContact O-N 2.96Å; L29-T31 PolarHBondContact O-N 3.07Å | ||
| 30 | I | 51 | Low | 49.9 | Very low | 153 Ų | 153 | 156 Ų | 156 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -69.6 | 78.9 | 173.8 | -55.8 | 177.8 | 0 | 0 | 0 | 107.5 | L28 Q32 | L28-I30 VanDerWaalsContact C-N 3.32Å; L28-I30 PolarHBondContact O-N 3.2Å; I30-Q32 PolarHBondContact O-N 3.22Å | ||
| 31 | T | 55.2 | Low | 51 | Low | 116 Ų | 116 | 154.4 Ų | 154.4 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -63.4 | 129.6 | 166.2 | 52.5 | 0 | 0 | 0 | 0 | 107.7 | L29 N33 | L29-T31 PolarHBondContact O-N 3.07Å; T31-N33 PolarHBondContact O-N 3.09Å | ||
| 32 | Q | 59.7 | Low | 51.9 | Low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -69.5 | -6.2 | -161.8 | -63.8 | 172.7 | -4.8 | 0 | 0 | 113.9 | I30 | I30-Q32 PolarHBondContact O-N 3.22Š|
| 33 | N | 50.9 | Low | 52.9 | Low | 146 Ų | 146 | 148.9 Ų | 148.9 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -108 | 51.6 | -168.9 | -69.2 | -12.3 | 0 | 0 | 0 | 114.6 | T31 K35 | T31-N33 PolarHBondContact O-N 3.09Å; N33-K35 VanDerWaalsContact C-N 3.27Å; N33-K35 PolarHBondContact O-N 3.13Å |
| 34 | G | 44.9 | Very low | 53.9 | Low | 72 Ų | 72 | 148.9 Ų | 148.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | 60.3 | -19.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | R36 | G34-R36 PolarHBondContact O-N 3.09Š| ||
| 35 | K | 55.4 | Low | 55.3 | Low | 193 Ų | 193 | 140.8 Ų | 140.8 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | -85.9 | 80.3 | -170.5 | -75.5 | -177.2 | 176.3 | 175.3 | 0 | 112.3 | N33 R37 | N33-K35 VanDerWaalsContact C-N 3.27Å; N33-K35 PolarHBondContact O-N 3.13Å; K35-R37 PolarHBondContact O-N 3.42Å | ||
| 36 | R | 49.3 | Very low | 57.3 | Low | 250 Ų | 250 | 140.4 Ų | 140.4 | 94% | 0.943 | 73% | 0.733 | S | S | * | * | trans | -59.5 | 77.5 | 166.6 | -76.2 | -176.4 | 166.1 | -178.2 | -3.7 | 111.7 | G34 G38 | G34-R36 PolarHBondContact O-N 3.09Å; R36-G38 PolarHBondContact O-N 3.22Å; R36-G38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | R | 55.8 | Low | 59.5 | Low | 223 Ų | 223 | 136.6 Ų | 136.6 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | trans | -66.2 | 106.5 | 166.2 | -70.6 | -169.4 | -179.8 | -160.7 | 1.4 | 108.3 | K35 R39 | K35-R37 PolarHBondContact O-N 3.42Å; R37-R39 VanDerWaalsContact C-N 3.29Å; R37-R39 PolarHBondContact O-N 3.11Å | ||
| 38 | G | 53 | Low | 61.4 | Low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | -63.2 | 86.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | R36 K40 | R36-G38 PolarHBondContact O-N 3.22Å; R36-G38 VanDerWaalsContact O-N 3.08Å; G38-K40 PolarHBondContact O-N 3.2Å | ||
| 39 | R | 63.2 | Low | 63.3 | Low | 240 Ų | 240 | 133.5 Ų | 133.5 | 91% | 0.906 | 70% | 0.7 | S | S | * | * | trans | -63.1 | 108.3 | 166.8 | -72 | -177.8 | 173.6 | 176.1 | -2.3 | 106.8 | R37 | R37-R39 VanDerWaalsContact C-N 3.29Å; R37-R39 PolarHBondContact O-N 3.11Å | ||
| 40 | K | 62.9 | Low | 65.3 | Low | 194 Ų | 194 | 134.8 Ų | 134.8 | 84% | 0.843 | 70% | 0.695 | S | S | * | * | trans | -44.3 | 134.5 | 166.4 | -71.7 | -177.4 | 176.5 | -179.2 | 0 | 107.8 | G38 G42 | G38-K40 PolarHBondContact O-N 3.2Å; K40-G42 PolarHBondContact O-N 3.19Å | ||
| 41 | P | 61.8 | Low | 67.4 | Low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -57 | 103 | 172.7 | -24.1 | 34.4 | 0 | 0 | 0 | 108.9 | ||||
| 42 | G | 60.2 | Low | 69.3 | Low | 38 Ų | 38 | 127.4 Ų | 127.4 | 39% | 0.392 | 67% | 0.665 | S | S | . | * | trans | -61.2 | 143.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | K40 N44 S45 | K40-G42 PolarHBondContact O-N 3.19Å; G42-N44 PolarHBondContact O-N 2.93Å; G42-S45 WeakPolarHBondContact O-CB 3.38Å; G42-S45 PolarHBondContact O-N 3.35Å; G42-S45 PolarHBondContact O-OG 3.35Å | ||
| 43 | L | 62.2 | Low | 71.1 | Confident | 145 Ų | 145 | 120.1 Ų | 120.1 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -51.7 | -35.9 | -176.6 | -64.8 | 164.5 | 0 | 0 | 0 | 111.4 | S45 T46 V47 | L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.02Å; L43-T46 WeakPolarHBondContact O-CB 3.5Å; L43-T46 PolarHBondContact O-N 3.42Å; L43-T46 PolarHBondContact O-OG1 3.35Å; L43-V47 PolarHBondContact O-N 2.92Å |
| 44 | N | 62.8 | Low | 73.3 | Confident | 132 Ų | 132 | 117.5 Ų | 117.5 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -49.9 | -38.5 | 171.2 | -43.1 | 44.2 | 0 | 0 | 0 | 113.8 | G42 T46 V47 A48 | G42-N44 PolarHBondContact O-N 2.93Å; N44-T46 VanDerWaalsContact C-N 3.3Å; N44-T46 PolarHBondContact O-N 2.79Å; N44-V47 PolarHBondContact O-N 2.98Å; N44-A48 PolarHBondContact O-N 3.42Å |
| 45 | S | 69.8 | Low | 75.8 | Confident | 54 Ų | 54 | 116.2 Ų | 116.2 | 38% | 0.378 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.5 | -30.8 | 179.6 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | G42 L43 Q49 | G42-S45 WeakPolarHBondContact O-CB 3.38Å; G42-S45 PolarHBondContact O-N 3.35Å; G42-S45 PolarHBondContact O-OG 3.35Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.02Å; S45-Q49 WeakPolarHBondContact O-CB 3.27Å; S45-Q49 PolarHBondContact O-N 2.94Å |
| 46 | T | 84.7 | Confident | 77.8 | Confident | 49 Ų | 49 | 114.6 Ų | 114.6 | 30% | 0.301 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.4 | -37.2 | 173.3 | 77.3 | 0 | 0 | 0 | 0 | 111.2 | L43 N44 Q49 R50 | L43-T46 WeakPolarHBondContact O-CB 3.5Å; L43-T46 PolarHBondContact O-N 3.42Å; L43-T46 PolarHBondContact O-OG1 3.35Å; N44-T46 VanDerWaalsContact C-N 3.3Å; N44-T46 PolarHBondContact O-N 2.79Å; T46-Q49 PolarHBondContact O-N 3.29Å; T46-R50 WeakPolarHBondContact O-CB 3.4Å; T46-R50 WeakPolarHBondContact O-CG 3.15Å; T46-R50 PolarHBondContact O-N 3.12Å |
| 47 | V | 91.1 | Very high | 80.2 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -45.4 | 175.2 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | L43 N44 Q49 R50 S51 | L43-V47 PolarHBondContact O-N 2.92Å; N44-V47 PolarHBondContact O-N 2.98Å; V47-Q49 PolarHBondContact O-N 3.34Å; V47-R50 PolarHBondContact O-N 2.72Å; V47-S51 WeakPolarHBondContact O-CB 3.43Å; V47-S51 PolarHBondContact O-N 2.91Å |
| 48 | A | 91.4 | Very high | 82.2 | Confident | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.9 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N44 S51 A52 | N44-A48 PolarHBondContact O-N 3.42Å; A48-S51 PolarHBondContact O-N 3.12Å; A48-A52 WeakPolarHBondContact O-CB 3.37Å; A48-A52 PolarHBondContact O-N 3.14Å |
| 49 | Q | 92.6 | Very high | 84.3 | Confident | 135 Ų | 135 | 102.9 Ų | 102.9 | 63% | 0.631 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 176.3 | -175.7 | -179.9 | 5.7 | 0 | 0 | 112.2 | S45 T46 V47 A53 | S45-Q49 WeakPolarHBondContact O-CB 3.27Å; S45-Q49 PolarHBondContact O-N 2.94Å; T46-Q49 PolarHBondContact O-N 3.29Å; V47-Q49 PolarHBondContact O-N 3.34Å; Q49-A53 WeakPolarHBondContact O-CB 3.44Å; Q49-A53 PolarHBondContact O-N 3.33Å |
| 50 | R | 94.2 | Very high | 86 | Confident | 167 Ų | 167 | 97.8 Ų | 97.8 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -46.5 | 172.4 | -73 | 167.6 | -172.2 | 178.3 | 4.1 | 111.3 | T46 V47 A52 A53 N54 | T46-R50 WeakPolarHBondContact O-CB 3.4Å; T46-R50 WeakPolarHBondContact O-CG 3.15Å; T46-R50 PolarHBondContact O-N 3.12Å; V47-R50 PolarHBondContact O-N 2.72Å; R50-A52 PolarHBondContact O-N 2.92Å; R50-A53 PolarHBondContact O-N 3.1Å; R50-N54 WeakPolarHBondContact O-CB 3.35Å; R50-N54 PolarHBondContact O-N 3.27Å; R50-N54 PolarHBondContact O-OD1 2.91Å |
| 51 | S | 95.5 | Very high | 87.7 | Confident | 73 Ų | 73 | 91.1 Ų | 91.1 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | V47 A48 A53 N54 A55 | V47-S51 WeakPolarHBondContact O-CB 3.43Å; V47-S51 PolarHBondContact O-N 2.91Å; A48-S51 PolarHBondContact O-N 3.12Å; S51-A53 VanDerWaalsContact C-N 3.35Å; S51-A53 PolarHBondContact O-N 3.15Å; S51-N54 PolarHBondContact O-N 3.21Å; S51-A55 WeakPolarHBondContact O-CB 3.17Å; S51-A55 PolarHBondContact O-N 3Å |
| 52 | A | 94.7 | Very high | 89.5 | Confident | 41 Ų | 41 | 93.7 Ų | 93.7 | 34% | 0.339 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A48 R50 R56 | A48-A52 WeakPolarHBondContact O-CB 3.37Å; A48-A52 PolarHBondContact O-N 3.14Å; R50-A52 PolarHBondContact O-N 2.92Å; A52-R56 WeakPolarHBondContact O-CG 3.49Å; A52-R56 PolarHBondContact O-N 2.87Å |
| 53 | A | 96 | Very high | 91.3 | Very high | 36 Ų | 36 | 97 Ų | 97 | 30% | 0.298 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q49 R50 S51 A55 R56 E57 | Q49-A53 WeakPolarHBondContact O-CB 3.44Å; Q49-A53 PolarHBondContact O-N 3.33Å; R50-A53 PolarHBondContact O-N 3.1Å; S51-A53 VanDerWaalsContact C-N 3.35Å; S51-A53 PolarHBondContact O-N 3.15Å; A53-A55 VanDerWaalsContact C-N 3.3Å; A53-A55 PolarHBondContact O-N 3.27Å; A53-R56 PolarHBondContact O-N 3.05Å; A53-E57 WeakPolarHBondContact O-CB 3.31Å; A53-E57 PolarHBondContact O-N 3.44Å |
| 54 | N | 97.9 | Very high | 93 | Very high | 90 Ų | 90 | 93.3 Ų | 93.3 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 176.6 | -66 | -5 | 0 | 0 | 0 | 111.7 | R50 S51 E57 R58 | R50-N54 WeakPolarHBondContact O-CB 3.35Å; R50-N54 PolarHBondContact O-N 3.27Å; R50-N54 PolarHBondContact O-OD1 2.91Å; S51-N54 PolarHBondContact O-N 3.21Å; N54-E57 PolarHBondContact O-N 2.97Å; N54-R58 WeakPolarHBondContact O-CB 3.48Å; N54-R58 VanDerWaalsContact O-CG 3.22Å; N54-R58 WeakPolarHBondContact O-CG 3.34Å; N54-R58 PolarHBondContact O-N 3.29Å |
| 55 | A | 97.8 | Very high | 94.6 | Very high | 46 Ų | 46 | 89.6 Ų | 89.6 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | S51 A53 S59 | S51-A55 WeakPolarHBondContact O-CB 3.17Å; S51-A55 PolarHBondContact O-N 3Å; A53-A55 VanDerWaalsContact C-N 3.3Å; A53-A55 PolarHBondContact O-N 3.27Å; A55-S59 PolarHBondContact O-N 3.01Å; A55-S59 VanDerWaalsContact O-N 3.09Å |
| 56 | R | 98 | Very high | 95.9 | Very high | 159 Ų | 159 | 88.8 Ų | 88.8 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 172.9 | -73.3 | -173.5 | -59.9 | -93.9 | 3.5 | 111.7 | A52 A53 S59 R60 | A52-R56 WeakPolarHBondContact O-CG 3.49Å; A52-R56 PolarHBondContact O-N 2.87Å; A53-R56 PolarHBondContact O-N 3.05Å; R56-S59 CarbonylContact O-C 3.59Å; R56-S59 WeakPolarHBondContact O-CA 3.48Å; R56-S59 WeakPolarHBondContact O-CB 3.5Å; R56-S59 PolarHBondContact O-N 2.88Å; R56-R60 PolarHBondContact O-N 3.48Å |
| 57 | E | 98.2 | Very high | 96.5 | Very high | 84 Ų | 84 | 88.9 Ų | 88.9 | 39% | 0.393 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | -179.2 | 178.8 | 53.8 | -159.4 | 0 | 0 | 112.3 | A53 N54 S59 R60 M61 | A53-E57 WeakPolarHBondContact O-CB 3.31Å; A53-E57 PolarHBondContact O-N 3.44Å; N54-E57 PolarHBondContact O-N 2.97Å; E57-S59 PolarHBondContact O-N 2.95Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-R60 IonicContact OE1-CZ 3.4Å; E57-R60 IonicContact OE1-NE 3.31Å; E57-R60 PolarHBondContact OE1-NE 2.96Å; E57-R60 IonicContact OE1-NH2 2.68Å; E57-R60 PolarHBondContact OE1-NH2 3.04Å; E57-R60 IonicContact OE2-CZ 3.66Å; E57-R60 IonicContact OE2-NE 2.79Å; E57-R60 PolarHBondContact OE2-NE 3.33Å; E57-R60 IonicContact OE2-NH2 3.66Å; E57-M61 WeakPolarHBondContact O-CB 3.13Å; E57-M61 PolarHBondContact O-N 3.37Å; E57-M61 WeakPolarHBondContact OE1-CG 3.22Å |
| 58 | R | 98.4 | Very high | 96.8 | Very high | 173 Ų | 173 | 86.7 Ų | 86.7 | 65% | 0.653 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -57.7 | -35.4 | 169.4 | -72.7 | 167.3 | -176.3 | 161.6 | -1.6 | 112 | N54 R62 | N54-R58 WeakPolarHBondContact O-CB 3.48Å; N54-R58 VanDerWaalsContact O-CG 3.22Å; N54-R58 WeakPolarHBondContact O-CG 3.34Å; N54-R58 PolarHBondContact O-N 3.29Å; R58-R62 WeakPolarHBondContact O-CG 3.4Å; R58-R62 PolarHBondContact O-N 2.88Å |
| 59 | S | 98.2 | Very high | 97 | Very high | 47 Ų | 47 | 88.8 Ų | 88.8 | 33% | 0.329 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.5 | -42.2 | 176.1 | -150.1 | 0 | 0 | 0 | 0 | 112.6 | A55 R56 E57 M61 R62 V63 | A55-S59 PolarHBondContact O-N 3.01Å; A55-S59 VanDerWaalsContact O-N 3.09Å; R56-S59 CarbonylContact O-C 3.59Å; R56-S59 WeakPolarHBondContact O-CA 3.48Å; R56-S59 WeakPolarHBondContact O-CB 3.5Å; R56-S59 PolarHBondContact O-N 2.88Å; E57-S59 PolarHBondContact O-N 2.95Å; S59-M61 VanDerWaalsContact C-N 3.31Å; S59-M61 PolarHBondContact O-N 2.95Å; S59-R62 VanDerWaalsContact CB-NH2 3.34Å; S59-R62 PolarHBondContact O-N 3.2Å; S59-R62 PolarHBondContact OG-NH1 3.13Å; S59-R62 PolarHBondContact OG-NH2 3.15Å; S59-V63 PolarHBondContact O-N 3.5Å |
| 60 | R | 98.6 | Very high | 97.1 | Very high | 132 Ų | 132 | 89.5 Ų | 89.5 | 50% | 0.498 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 172.4 | -168.4 | -168.2 | 70.7 | 79.9 | 1.3 | 111.1 | R56 E57 V63 L64 | R56-R60 PolarHBondContact O-N 3.48Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-R60 IonicContact OE1-CZ 3.4Å; E57-R60 IonicContact OE1-NE 3.31Å; E57-R60 PolarHBondContact OE1-NE 2.96Å; E57-R60 IonicContact OE1-NH2 2.68Å; E57-R60 PolarHBondContact OE1-NH2 3.04Å; E57-R60 IonicContact OE2-CZ 3.66Å; E57-R60 IonicContact OE2-NE 2.79Å; E57-R60 PolarHBondContact OE2-NE 3.33Å; E57-R60 IonicContact OE2-NH2 3.66Å; R60-V63 PolarHBondContact O-N 2.67Å; R60-L64 PolarHBondContact O-N 3.01Å |
| 61 | M | 98.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 84.5 Ų | 84.5 | 27% | 0.271 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69 | -31.9 | 177.7 | -75.1 | -55.1 | -48.8 | 0 | 0 | 113.6 | E57 S59 L64 S65 | E57-M61 WeakPolarHBondContact O-CB 3.13Å; E57-M61 PolarHBondContact O-N 3.37Å; E57-M61 WeakPolarHBondContact OE1-CG 3.22Å; S59-M61 VanDerWaalsContact C-N 3.31Å; S59-M61 PolarHBondContact O-N 2.95Å; M61-L64 HydrophobicContact CE-CD2 4.05Å; M61-L64 PolarHBondContact O-N 3.13Å; M61-L64 HydrophobicContact SD-CD2 4.01Å; M61-S65 WeakPolarHBondContact O-CB 3.47Å; M61-S65 PolarHBondContact O-N 2.91Å; M61-S65 PolarHBondContact O-OG 2.97Å |
| 62 | R | 98.2 | Very high | 97.3 | Very high | 162 Ų | 162 | 82.3 Ų | 82.3 | 61% | 0.611 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 170.6 | -83.7 | -172.8 | -76.3 | 96.6 | -0.9 | 112 | R58 S59 S65 G66 | R58-R62 WeakPolarHBondContact O-CG 3.4Å; R58-R62 PolarHBondContact O-N 2.88Å; S59-R62 VanDerWaalsContact CB-NH2 3.34Å; S59-R62 PolarHBondContact O-N 3.2Å; S59-R62 PolarHBondContact OG-NH1 3.13Å; S59-R62 PolarHBondContact OG-NH2 3.15Å; R62-S65 PolarHBondContact O-N 3.5Å; R62-G66 PolarHBondContact O-N 3.12Å |
| 63 | V | 98 | Very high | 97.3 | Very high | 108 Ų | 108 | 83.1 Ų | 83.1 | 66% | 0.655 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.2 | -46.7 | 176 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | S59 R60 S65 G66 A67 | S59-V63 PolarHBondContact O-N 3.5Å; R60-V63 PolarHBondContact O-N 2.67Å; V63-S65 PolarHBondContact O-N 2.91Å; V63-G66 PolarHBondContact O-N 2.84Å; V63-G66 VanDerWaalsContact O-N 3.16Å; V63-A67 PolarHBondContact O-N 3.21Å; V63-A67 VanDerWaalsContact O-N 3.07Å |
| 64 | L | 98 | Very high | 97.3 | Very high | 67 Ų | 67 | 84.3 Ų | 84.3 | 35% | 0.351 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 178.2 | -178.5 | 57.3 | 0 | 0 | 0 | 112.6 | R60 M61 G66 A67 F68 | R60-L64 PolarHBondContact O-N 3.01Å; M61-L64 HydrophobicContact CE-CD2 4.05Å; M61-L64 PolarHBondContact O-N 3.13Å; M61-L64 HydrophobicContact SD-CD2 4.01Å; L64-G66 VanDerWaalsContact C-N 3.34Å; L64-A67 PolarHBondContact O-N 3.35Å; L64-F68 HydrophobicContact CD1-CD2 4.15Å; L64-F68 HydrophobicContact CD1-CE2 4.09Å; L64-F68 HydrophobicContact CG-CD2 4.3Å; L64-F68 HydrophobicContact CG-CE2 4.37Å; L64-F68 WeakPolarHBondContact O-CD2 3.29Å; L64-F68 PolarHBondContact O-N 3.08Å; L64-F68 VanDerWaalsContact O-N 3.15Å |
| 65 | S | 97.3 | Very high | 97.2 | Very high | 53 Ų | 53 | 80.2 Ų | 80.2 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 174.2 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | M61 R62 V63 F68 V69 | M61-S65 WeakPolarHBondContact O-CB 3.47Å; M61-S65 PolarHBondContact O-N 2.91Å; M61-S65 PolarHBondContact O-OG 2.97Å; R62-S65 PolarHBondContact O-N 3.5Å; V63-S65 PolarHBondContact O-N 2.91Å; S65-F68 PolarHBondContact O-N 3.2Å; S65-V69 PolarHBondContact O-N 3.43Å; S65-V69 VanDerWaalsContact O-N 3.17Å |
| 66 | G | 96.9 | Very high | 97 | Very high | 38 Ų | 38 | 82.2 Ų | 82.2 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R62 V63 L64 F68 V69 E70 | R62-G66 PolarHBondContact O-N 3.12Å; V63-G66 PolarHBondContact O-N 2.84Å; V63-G66 VanDerWaalsContact O-N 3.16Å; L64-G66 VanDerWaalsContact C-N 3.34Å; G66-F68 PolarHBondContact O-N 2.91Å; G66-V69 WeakPolarHBondContact O-CB 3.19Å; G66-V69 PolarHBondContact O-N 3.25Å; G66-E70 PolarHBondContact O-N 3.31Å |
| 67 | A | 97.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 75.9 Ų | 75.9 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -31.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V63 L64 L71 | V63-A67 PolarHBondContact O-N 3.21Å; V63-A67 VanDerWaalsContact O-N 3.07Å; L64-A67 PolarHBondContact O-N 3.35Å; A67-L71 VanDerWaalsContact O-CB 3.26Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 3.36Å |
| 68 | F | 97 | Very high | 96.3 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 19% | 0.193 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69 | -32 | 172.5 | -97.8 | -78 | 0 | 0 | 0 | 113.4 | L64 S65 G66 K72 K86 T89 L90 | L64-F68 HydrophobicContact CD1-CD2 4.15Å; L64-F68 HydrophobicContact CD1-CE2 4.09Å; L64-F68 HydrophobicContact CG-CD2 4.3Å; L64-F68 HydrophobicContact CG-CE2 4.37Å; L64-F68 WeakPolarHBondContact O-CD2 3.29Å; L64-F68 PolarHBondContact O-N 3.08Å; L64-F68 VanDerWaalsContact O-N 3.15Å; S65-F68 PolarHBondContact O-N 3.2Å; G66-F68 PolarHBondContact O-N 2.91Å; F68-K72 WeakPolarHBondContact O-CB 3.41Å; F68-K72 PolarHBondContact O-N 3.32Å; F68-K72 VanDerWaalsContact O-N 3.13Å; F68-K86 HydrophobicContact CD1-CB 4.33Å; F68-K86 HydrophobicContact CD1-CG 4.15Å; F68-K86 HydrophobicContact CE1-CB 3.72Å; F68-K86 HydrophobicContact CE1-CG 3.96Å; F68-K86 HydrophobicContact CE2-CD 4.29Å; F68-K86 HydrophobicContact CZ-CB 4Å; F68-K86 HydrophobicContact CZ-CD 4.24Å; F68-K86 HydrophobicContact CZ-CG 4.19Å; F68-T89 HydrophobicContact CD1-CG2 4.41Å; F68-L90 HydrophobicContact CE1-CD1 4.37Å; F68-L90 HydrophobicContact CE1-CD2 4.41Å; F68-L90 HydrophobicContact CE1-CG 4.09Å; F68-L90 HydrophobicContact CZ-CD1 4.25Å; F68-L90 HydrophobicContact CZ-CG 4.37Å |
| 69 | V | 95.2 | Very high | 96 | Very high | 104 Ų | 104 | 68.3 Ų | 68.3 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -74.8 | -40.4 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | S65 G66 K72 G73 | S65-V69 PolarHBondContact O-N 3.43Å; S65-V69 VanDerWaalsContact O-N 3.17Å; G66-V69 WeakPolarHBondContact O-CB 3.19Å; G66-V69 PolarHBondContact O-N 3.25Å; V69-K72 WeakPolarHBondContact O-CB 3.38Å; V69-K72 PolarHBondContact O-N 2.71Å; V69-G73 PolarHBondContact O-N 2.89Å |
| 70 | E | 96 | Very high | 95.4 | Very high | 150 Ų | 150 | 74.9 Ų | 74.9 | 70% | 0.701 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.5 | -49.7 | 173.8 | -174 | 177.2 | -175.2 | 0 | 0 | 111.5 | G66 K72 G73 A74 | G66-E70 PolarHBondContact O-N 3.31Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 2.93Å; E70-G73 WeakPolarHBondContact O-CA 3.48Å; E70-G73 PolarHBondContact O-N 3.21Å; E70-A74 PolarHBondContact O-N 2.77Å |
| 71 | L | 97.5 | Very high | 95 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 175.3 | -178.8 | 62.6 | 0 | 0 | 0 | 112.3 | A67 A74 T89 L90 A93 | A67-L71 VanDerWaalsContact O-CB 3.26Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 3.36Å; L71-A74 PolarHBondContact O-N 2.8Å; L71-T89 HydrophobicContact CB-CG2 4.46Å; L71-T89 HydrophobicContact CD2-CG2 4.1Å; L71-T89 HydrophobicContact CG-CG2 4.06Å; L71-L90 HydrophobicContact CD2-CD2 4.26Å; L71-A93 HydrophobicContact CD1-CB 3.85Å; L71-A93 HydrophobicContact CD2-CB 4.27Å; L71-A93 HydrophobicContact CG-CB 4.22Å |
| 72 | K | 95.8 | Very high | 94.7 | Very high | 28 Ų | 28 | 75.2 Ų | 75.2 | 12% | 0.122 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 172.7 | -178.3 | -158.8 | 160.7 | -170.6 | 0 | 111.1 | F68 V69 E70 A74 L75 V78 P79 K80 T82 L84 T89 | F68-K72 WeakPolarHBondContact O-CB 3.41Å; F68-K72 PolarHBondContact O-N 3.32Å; F68-K72 VanDerWaalsContact O-N 3.13Å; V69-K72 WeakPolarHBondContact O-CB 3.38Å; V69-K72 PolarHBondContact O-N 2.71Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 2.93Å; K72-A74 PolarHBondContact O-N 2.83Å; K72-L75 WeakPolarHBondContact O-CB 3.38Å; K72-L75 PolarHBondContact O-N 3.02Å; K72-L75 VanDerWaalsContact O-N 3.09Å; K72-V78 HydrophobicContact CD-CG1 4.41Å; K72-V78 VanDerWaalsContact CE-CG1 3.46Å; K72-V78 HydrophobicContact CG-CG1 4Å; K72-P79 WeakPolarHBondContact CE-O 3.44Å; K72-P79 PolarHBondContact NZ-O 2.93Å; K72-P79 VanDerWaalsContact NZ-O 3.09Å; K72-K80 PolarHBondContact NZ-O 3.47Å; K72-T82 WeakPolarHBondContact CE-O 3.49Å; K72-T82 PolarHBondContact NZ-O 3.26Å; K72-L84 HydrophobicContact CG-CD1 4.32Å; K72-T89 HydrophobicContact CB-CG2 4.13Å |
| 73 | G | 94.7 | Very high | 94.5 | Very high | 58 Ų | 58 | 77.6 Ų | 77.6 | 60% | 0.598 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.5 | -20.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V69 E70 | V69-G73 PolarHBondContact O-N 2.89Å; E70-G73 WeakPolarHBondContact O-CA 3.48Å; E70-G73 PolarHBondContact O-N 3.21Å |
| 74 | A | 95.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 74.5 Ų | 74.5 | 50% | 0.496 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E70 L71 K72 P76 Y96 | E70-A74 PolarHBondContact O-N 2.77Å; L71-A74 PolarHBondContact O-N 2.8Å; K72-A74 PolarHBondContact O-N 2.83Å; A74-P76 WeakPolarHBondContact O-CD 3.49Å; A74-Y96 WeakPolarHBondContact O-CE1 3.43Å |
| 75 | L | 95.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | trans | -86.5 | 109.8 | 176.9 | -60.2 | 173.7 | 0 | 0 | 0 | 109.9 | K72 W77 V78 L84 T89 L92 A93 Y96 | K72-L75 WeakPolarHBondContact O-CB 3.38Å; K72-L75 PolarHBondContact O-N 3.02Å; K72-L75 VanDerWaalsContact O-N 3.09Å; L75-W77 PolarHBondContact O-N 3.45Å; L75-W77 VanDerWaalsContact O-N 3.11Å; L75-V78 HydrophobicContact CB-CB 3.97Å; L75-V78 HydrophobicContact CB-CG2 3.61Å; L75-V78 HydrophobicContact CD1-CG2 3.86Å; L75-V78 HydrophobicContact CG-CG2 4.39Å; L75-V78 PolarHBondContact O-N 3.18Å; L75-V78 VanDerWaalsContact O-N 3.1Å; L75-L84 HydrophobicContact CD1-CD1 4.4Å; L75-T89 HydrophobicContact CD1-CG2 4.42Å; L75-L92 HydrophobicContact CD1-CB 3.71Å; L75-L92 HydrophobicContact CD1-CD1 4.13Å; L75-L92 HydrophobicContact CD2-CB 4.14Å; L75-A93 HydrophobicContact CD2-CB 4.21Å; L75-Y96 HydrophobicContact CD2-CD1 4.46Å | ||
| 76 | P | 94 | Very high | 94.1 | Very high | 88 Ų | 88 | 76.5 Ų | 76.5 | 57% | 0.571 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.7 | -166.5 | 26.8 | -35.4 | 0 | 0 | 0 | 114.2 | A74 Y96 | A74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-Y96 HydrophobicContact CG-CD2 4.43Å; P76-Y96 HydrophobicContact CG-CE1 4.25Å; P76-Y96 HydrophobicContact CG-CE2 3.79Å |
| 77 | W | 90.2 | Very high | 94.1 | Very high | 26 Ų | 26 | 79.7 Ų | 79.7 | 10% | 0.098 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 2.5 | 177.7 | 60.7 | 82.2 | 0 | 0 | 0 | 114.6 | L75 P79 L92 Y96 T156 L159 F163 | L75-W77 PolarHBondContact O-N 3.45Å; L75-W77 VanDerWaalsContact O-N 3.11Å; W77-P79 WeakPolarHBondContact O-CD 3.44Å; W77-L92 HydrophobicContact CZ2-CB 4.09Å; W77-L92 HydrophobicContact CZ2-CD2 4.03Å; W77-Y96 HydrophobicContact CH2-CD2 4.03Å; W77-Y96 HydrophobicContact CH2-CG 4.05Å; W77-Y96 AromaticContact CZ3-CD2 3.67Å; W77-Y96 HydrophobicContact CZ3-CD2 3.67Å; W77-Y96 HydrophobicContact CZ3-CE2 4.36Å; W77-Y96 HydrophobicContact CZ3-CG 4.09Å; W77-T156 HydrophobicContact CB-CG2 3.38Å; W77-L159 HydrophobicContact CE3-CD1 4.3Å; W77-L159 HydrophobicContact CZ3-CD1 4.17Å; W77-F163 HydrophobicContact CZ2-CE2 4.41Å |
| 78 | V | 91.4 | Very high | 94 | Very high | 16 Ų | 16 | 79.8 Ų | 79.8 | 10% | 0.097 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -107.3 | 112.6 | -174.4 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | K72 L75 L84 L92 | K72-V78 HydrophobicContact CD-CG1 4.41Å; K72-V78 VanDerWaalsContact CE-CG1 3.46Å; K72-V78 HydrophobicContact CG-CG1 4Å; L75-V78 HydrophobicContact CB-CB 3.97Å; L75-V78 HydrophobicContact CB-CG2 3.61Å; L75-V78 HydrophobicContact CD1-CG2 3.86Å; L75-V78 HydrophobicContact CG-CG2 4.39Å; L75-V78 PolarHBondContact O-N 3.18Å; L75-V78 VanDerWaalsContact O-N 3.1Å; V78-L84 HydrophobicContact CG1-CD1 3.7Å; V78-L84 HydrophobicContact CG1-CG 4.2Å; V78-L84 HydrophobicContact CG2-CD1 4.06Å; V78-L92 HydrophobicContact CG2-CD1 3.97Å |
| 79 | P | 90.8 | Very high | 93.9 | Very high | 81 Ų | 81 | 78 Ų | 78 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | trans | -57.1 | 142.9 | 172.9 | -23.8 | 32.2 | 0 | 0 | 0 | 112.5 | K72 W77 D81 T82 | K72-P79 WeakPolarHBondContact CE-O 3.44Å; K72-P79 PolarHBondContact NZ-O 2.93Å; K72-P79 VanDerWaalsContact NZ-O 3.09Å; W77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-D81 PolarHBondContact O-N 2.91Å; P79-T82 WeakPolarHBondContact CB-OG1 3.29Å; P79-T82 WeakPolarHBondContact CD-OG1 3.49Å; P79-T82 WeakPolarHBondContact O-CB 3.36Å; P79-T82 PolarHBondContact O-N 2.85Å | ||
| 80 | K | 86.7 | Confident | 94.1 | Very high | 186 Ų | 186 | 77.3 Ų | 77.3 | 81% | 0.809 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.3 | -174.3 | -67.5 | -179.1 | -179.1 | 176.1 | 0 | 113 | K72 | K72-K80 PolarHBondContact NZ-O 3.47Š|
| 81 | D | 89.8 | Confident | 94.1 | Very high | 148 Ų | 148 | 74 Ų | 74 | 79% | 0.791 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -13.7 | -178.3 | -48.4 | -69.1 | 0 | 0 | 0 | 114.1 | P79 K83 | P79-D81 PolarHBondContact O-N 2.91Å; D81-K83 PolarHBondContact O-N 3.43Å |
| 82 | T | 92.3 | Very high | 94 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 28% | 0.282 | 39% | 0.387 | S | S | . | . | trans | -60.7 | 122.2 | -177.5 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | K72 P79 L84 | K72-T82 WeakPolarHBondContact CE-O 3.49Å; K72-T82 PolarHBondContact NZ-O 3.26Å; P79-T82 WeakPolarHBondContact CB-OG1 3.29Å; P79-T82 WeakPolarHBondContact CD-OG1 3.49Å; P79-T82 WeakPolarHBondContact O-CB 3.36Å; P79-T82 PolarHBondContact O-N 2.85Å; T82-L84 HydrophobicContact CG2-CD2 4.01Å; T82-L84 HydrophobicContact CG2-CG 4.32Å; T82-L84 PolarHBondContact O-N 3.46Å; T82-L84 VanDerWaalsContact O-N 3.08Å | ||
| 83 | K | 93.4 | Very high | 94.1 | Very high | 211 Ų | 211 | 70.6 Ų | 70.6 | 92% | 0.917 | 39% | 0.386 | S | S | * | . | trans | -77.2 | 95.8 | 179.3 | -65.6 | 176.6 | -176.6 | 172.3 | 0 | 110.5 | D81 | D81-K83 PolarHBondContact O-N 3.43Š| ||
| 84 | L | 92.1 | Very high | 94.2 | Very high | 43 Ų | 43 | 70.5 Ų | 70.5 | 23% | 0.225 | 38% | 0.379 | C | S | . | . | trans | -93.4 | 149 | 171.5 | -64.9 | -173 | 0 | 0 | 0 | 111.8 | K72 L75 V78 T82 L92 F160 | K72-L84 HydrophobicContact CG-CD1 4.32Å; L75-L84 HydrophobicContact CD1-CD1 4.4Å; V78-L84 HydrophobicContact CG1-CD1 3.7Å; V78-L84 HydrophobicContact CG1-CG 4.2Å; V78-L84 HydrophobicContact CG2-CD1 4.06Å; T82-L84 HydrophobicContact CG2-CD2 4.01Å; T82-L84 HydrophobicContact CG2-CG 4.32Å; T82-L84 PolarHBondContact O-N 3.46Å; T82-L84 VanDerWaalsContact O-N 3.08Å; L84-L92 HydrophobicContact CD1-CD1 3.74Å; L84-F160 HydrophobicContact CD2-CE2 4.29Å | ||
| 85 | S | 96.1 | Very high | 94.2 | Very high | 54 Ų | 54 | 68 Ų | 68 | 38% | 0.378 | 36% | 0.36 | S | S | . | . | trans | -76.1 | 158.1 | 167.2 | 95 | 0 | 0 | 0 | 0 | 110.9 | L87 D88 T89 | S85-L87 PolarHBondContact O-N 2.96Å; S85-L87 PolarHBondContact OG-N 2.91Å; S85-D88 VanDerWaalsContact CB-OD2 3.28Å; S85-D88 WeakPolarHBondContact CB-OD2 3.43Å; S85-D88 PolarHBondContact O-N 3.4Å; S85-D88 VanDerWaalsContact O-N 3.16Å; S85-D88 VanDerWaalsContact OG-CG 3.28Å; S85-D88 PolarHBondContact OG-N 3.18Å; S85-D88 PolarHBondContact OG-OD2 2.73Å; S85-T89 PolarHBondContact O-N 3.44Å; S85-T89 PolarHBondContact O-OG1 2.8Å | ||
| 86 | K | 96.1 | Very high | 94.3 | Very high | 109 Ų | 109 | 70.7 Ų | 70.7 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.3 | -34.3 | 174.9 | -67.1 | -176.5 | -178.8 | 179.5 | 0 | 112.7 | F68 L90 | F68-K86 HydrophobicContact CD1-CB 4.33Å; F68-K86 HydrophobicContact CD1-CG 4.15Å; F68-K86 HydrophobicContact CE1-CB 3.72Å; F68-K86 HydrophobicContact CE1-CG 3.96Å; F68-K86 HydrophobicContact CE2-CD 4.29Å; F68-K86 HydrophobicContact CZ-CB 4Å; F68-K86 HydrophobicContact CZ-CD 4.24Å; F68-K86 HydrophobicContact CZ-CG 4.19Å; K86-L90 VanDerWaalsContact O-CG 3.29Å; K86-L90 WeakPolarHBondContact O-CG 3.44Å; K86-L90 PolarHBondContact O-N 3.41Å |
| 87 | L | 97.1 | Very high | 94.5 | Very high | 104 Ų | 104 | 70.8 Ų | 70.8 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 178.6 | 177.4 | 60.7 | 0 | 0 | 0 | 110.8 | S85 L90 K91 | S85-L87 PolarHBondContact O-N 2.96Å; S85-L87 PolarHBondContact OG-N 2.91Å; L87-L90 PolarHBondContact O-N 3.27Å; L87-K91 WeakPolarHBondContact O-CG 3.25Å; L87-K91 PolarHBondContact O-N 3.05Å |
| 88 | D | 95.9 | Very high | 94.7 | Very high | 53 Ų | 53 | 71.7 Ų | 71.7 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76.7 | -35.2 | -175.9 | -51.4 | -51.6 | 0 | 0 | 0 | 111.4 | S85 L90 K91 L92 | S85-D88 VanDerWaalsContact CB-OD2 3.28Å; S85-D88 WeakPolarHBondContact CB-OD2 3.43Å; S85-D88 PolarHBondContact O-N 3.4Å; S85-D88 VanDerWaalsContact O-N 3.16Å; S85-D88 VanDerWaalsContact OG-CG 3.28Å; S85-D88 PolarHBondContact OG-N 3.18Å; S85-D88 PolarHBondContact OG-OD2 2.73Å; D88-L90 VanDerWaalsContact C-N 3.27Å; D88-L90 PolarHBondContact O-N 2.95Å; D88-K91 PolarHBondContact O-N 3.12Å; D88-K91 IonicContact OD1-NZ 2.91Å; D88-K91 PolarHBondContact OD1-NZ 2.93Å; D88-L92 WeakPolarHBondContact O-CB 3.24Å; D88-L92 VanDerWaalsContact O-CG 3.27Å; D88-L92 WeakPolarHBondContact O-CG 3.34Å; D88-L92 PolarHBondContact O-N 3.32Å |
| 89 | T | 95.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.043 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 167.6 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | F68 L71 K72 L75 S85 A93 | F68-T89 HydrophobicContact CD1-CG2 4.41Å; L71-T89 HydrophobicContact CB-CG2 4.46Å; L71-T89 HydrophobicContact CD2-CG2 4.1Å; L71-T89 HydrophobicContact CG-CG2 4.06Å; K72-T89 HydrophobicContact CB-CG2 4.13Å; L75-T89 HydrophobicContact CD1-CG2 4.42Å; S85-T89 PolarHBondContact O-N 3.44Å; S85-T89 PolarHBondContact O-OG1 2.8Å; T89-A93 VanDerWaalsContact O-CB 3.27Å; T89-A93 WeakPolarHBondContact O-CB 3.22Å; T89-A93 PolarHBondContact O-N 3.43Å |
| 90 | L | 98.1 | Very high | 95.1 | Very high | 89 Ų | 89 | 74.2 Ų | 74.2 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.9 | -42.7 | 176.9 | -70.8 | 169.1 | 0 | 0 | 0 | 112.5 | F68 L71 K86 L87 D88 A93 A94 | F68-L90 HydrophobicContact CE1-CD1 4.37Å; F68-L90 HydrophobicContact CE1-CD2 4.41Å; F68-L90 HydrophobicContact CE1-CG 4.09Å; F68-L90 HydrophobicContact CZ-CD1 4.25Å; F68-L90 HydrophobicContact CZ-CG 4.37Å; L71-L90 HydrophobicContact CD2-CD2 4.26Å; K86-L90 VanDerWaalsContact O-CG 3.29Å; K86-L90 WeakPolarHBondContact O-CG 3.44Å; K86-L90 PolarHBondContact O-N 3.41Å; L87-L90 PolarHBondContact O-N 3.27Å; D88-L90 VanDerWaalsContact C-N 3.27Å; D88-L90 PolarHBondContact O-N 2.95Å; L90-A93 PolarHBondContact O-N 3.4Å; L90-A94 WeakPolarHBondContact O-CB 3.27Å; L90-A94 PolarHBondContact O-N 2.9Å |
| 91 | K | 96.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 73 Ų | 73 | 35% | 0.352 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 175.4 | -71.5 | 172.4 | -174.1 | 158.4 | 0 | 111.9 | L87 D88 A93 A94 G95 | L87-K91 WeakPolarHBondContact O-CG 3.25Å; L87-K91 PolarHBondContact O-N 3.05Å; D88-K91 PolarHBondContact O-N 3.12Å; D88-K91 IonicContact OD1-NZ 2.91Å; D88-K91 PolarHBondContact OD1-NZ 2.93Å; K91-A93 VanDerWaalsContact C-N 3.34Å; K91-A93 PolarHBondContact O-N 2.91Å; K91-A94 PolarHBondContact O-N 3.07Å; K91-G95 PolarHBondContact O-N 3.49Å |
| 92 | L | 95.8 | Very high | 95.7 | Very high | 6 Ų | 6 | 70.9 Ų | 70.9 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | -179.9 | -67.5 | 179.8 | 0 | 0 | 0 | 111.3 | L75 W77 V78 L84 D88 G95 Y96 F163 | L75-L92 HydrophobicContact CD1-CB 3.71Å; L75-L92 HydrophobicContact CD1-CD1 4.13Å; L75-L92 HydrophobicContact CD2-CB 4.14Å; W77-L92 HydrophobicContact CZ2-CB 4.09Å; W77-L92 HydrophobicContact CZ2-CD2 4.03Å; V78-L92 HydrophobicContact CG2-CD1 3.97Å; L84-L92 HydrophobicContact CD1-CD1 3.74Å; D88-L92 WeakPolarHBondContact O-CB 3.24Å; D88-L92 VanDerWaalsContact O-CG 3.27Å; D88-L92 WeakPolarHBondContact O-CG 3.34Å; D88-L92 PolarHBondContact O-N 3.32Å; L92-G95 PolarHBondContact O-N 3.22Å; L92-Y96 WeakPolarHBondContact O-CB 3.46Å; L92-Y96 PolarHBondContact O-N 2.96Å; L92-F163 HydrophobicContact CD2-CB 3.65Å; L92-F163 HydrophobicContact CD2-CD1 4.48Å; L92-F163 HydrophobicContact CD2-CD2 3.32Å; L92-F163 HydrophobicContact CD2-CE2 4.07Å; L92-F163 HydrophobicContact CD2-CG 3.58Å |
| 93 | A | 98 | Very high | 95.8 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L71 L75 T89 L90 K91 Y96 I97 | L71-A93 HydrophobicContact CD1-CB 3.85Å; L71-A93 HydrophobicContact CD2-CB 4.27Å; L71-A93 HydrophobicContact CG-CB 4.22Å; L75-A93 HydrophobicContact CD2-CB 4.21Å; T89-A93 VanDerWaalsContact O-CB 3.27Å; T89-A93 WeakPolarHBondContact O-CB 3.22Å; T89-A93 PolarHBondContact O-N 3.43Å; L90-A93 PolarHBondContact O-N 3.4Å; K91-A93 VanDerWaalsContact C-N 3.34Å; K91-A93 PolarHBondContact O-N 2.91Å; A93-Y96 PolarHBondContact O-N 3.23Å; A93-I97 VanDerWaalsContact O-CG1 3.3Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 3.32Å |
| 94 | A | 97.2 | Very high | 95.8 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L90 K91 I97 A98 | L90-A94 WeakPolarHBondContact O-CB 3.27Å; L90-A94 PolarHBondContact O-N 2.9Å; K91-A94 PolarHBondContact O-N 3.07Å; A94-I97 PolarHBondContact O-N 3.48Å; A94-A98 PolarHBondContact O-N 2.94Å |
| 95 | G | 95.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 70.3 Ų | 70.3 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K91 L92 A98 Y99 | K91-G95 PolarHBondContact O-N 3.49Å; L92-G95 PolarHBondContact O-N 3.22Å; G95-A98 PolarHBondContact O-N 3.08Å; G95-Y99 WeakPolarHBondContact O-CB 3.44Å; G95-Y99 PolarHBondContact O-N 3.31Å |
| 96 | Y | 97.7 | Very high | 95.2 | Very high | 61 Ų | 61 | 70.9 Ų | 70.9 | 24% | 0.239 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 176.7 | -171 | -145 | 0 | 0 | 0 | 112.1 | A74 L75 P76 W77 L92 A93 A98 Y99 L100 | A74-Y96 WeakPolarHBondContact O-CE1 3.43Å; L75-Y96 HydrophobicContact CD2-CD1 4.46Å; P76-Y96 HydrophobicContact CG-CD2 4.43Å; P76-Y96 HydrophobicContact CG-CE1 4.25Å; P76-Y96 HydrophobicContact CG-CE2 3.79Å; W77-Y96 HydrophobicContact CH2-CD2 4.03Å; W77-Y96 HydrophobicContact CH2-CG 4.05Å; W77-Y96 AromaticContact CZ3-CD2 3.67Å; W77-Y96 HydrophobicContact CZ3-CD2 3.67Å; W77-Y96 HydrophobicContact CZ3-CE2 4.36Å; W77-Y96 HydrophobicContact CZ3-CG 4.09Å; L92-Y96 WeakPolarHBondContact O-CB 3.46Å; L92-Y96 PolarHBondContact O-N 2.96Å; A93-Y96 PolarHBondContact O-N 3.23Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-A98 PolarHBondContact O-N 3Å; Y96-Y99 HydrophobicContact CD2-CD1 4.19Å; Y96-Y99 HydrophobicContact CE2-CD1 4.34Å; Y96-Y99 PolarHBondContact O-N 3.34Å; Y96-L100 HydrophobicContact CD1-CD1 4.29Å; Y96-L100 HydrophobicContact CD2-CD1 4.19Å; Y96-L100 HydrophobicContact CD2-CG 4Å; Y96-L100 HydrophobicContact CE1-CD1 3.95Å; Y96-L100 HydrophobicContact CE2-CD1 3.83Å; Y96-L100 HydrophobicContact CE2-CD2 3.83Å; Y96-L100 HydrophobicContact CE2-CG 3.72Å; Y96-L100 HydrophobicContact CG-CD1 4.4Å; Y96-L100 WeakPolarHBondContact O-CG 3.43Å; Y96-L100 PolarHBondContact O-N 2.9Å |
| 97 | I | 97.6 | Very high | 94.2 | Very high | 91 Ų | 91 | 68.2 Ų | 68.2 | 47% | 0.467 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.7 | -68.2 | 163.7 | 0 | 0 | 0 | 111 | A93 A94 R101 | A93-I97 VanDerWaalsContact O-CG1 3.3Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 3.32Å; A94-I97 PolarHBondContact O-N 3.48Å; I97-R101 VanDerWaalsContact O-CG 3.31Å; I97-R101 WeakPolarHBondContact O-CG 3.18Å; I97-R101 PolarHBondContact O-N 2.99Å |
| 98 | A | 95.9 | Very high | 92.5 | Very high | 45 Ų | 45 | 70.4 Ų | 70.4 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A94 G95 Y96 R101 R102 L144 | A94-A98 PolarHBondContact O-N 2.94Å; G95-A98 PolarHBondContact O-N 3.08Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-A98 PolarHBondContact O-N 3Å; A98-R101 PolarHBondContact O-N 3.06Å; A98-R102 PolarHBondContact O-N 3.24Å; A98-R102 VanDerWaalsContact O-N 3.08Å; A98-L144 HydrophobicContact CB-CD1 4.43Å |
| 99 | Y | 94.6 | Very high | 90.7 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.6 | 172.5 | -100.8 | 0 | 0 | 0 | 112.4 | G95 Y96 R102 I103 | G95-Y99 WeakPolarHBondContact O-CB 3.44Å; G95-Y99 PolarHBondContact O-N 3.31Å; Y96-Y99 HydrophobicContact CD2-CD1 4.19Å; Y96-Y99 HydrophobicContact CE2-CD1 4.34Å; Y96-Y99 PolarHBondContact O-N 3.34Å; Y99-R102 PolarHBondContact O-N 3.2Å; Y99-I103 HydrophobicContact CD1-CD1 4.01Å; Y99-I103 HydrophobicContact CE1-CD1 3.45Å; Y99-I103 VanDerWaalsContact CE1-CD1 3.45Å; Y99-I103 HydrophobicContact CE2-CD1 4.08Å; Y99-I103 PolarHBondContact O-N 3Å; Y99-I103 VanDerWaalsContact O-N 3.12Å |
| 100 | L | 95.7 | Very high | 88.7 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 178.1 | -71.3 | 177.8 | 0 | 0 | 0 | 112.4 | Y96 I103 L104 | Y96-L100 HydrophobicContact CD1-CD1 4.29Å; Y96-L100 HydrophobicContact CD2-CD1 4.19Å; Y96-L100 HydrophobicContact CD2-CG 4Å; Y96-L100 HydrophobicContact CE1-CD1 3.95Å; Y96-L100 HydrophobicContact CE2-CD1 3.83Å; Y96-L100 HydrophobicContact CE2-CD2 3.83Å; Y96-L100 HydrophobicContact CE2-CG 3.72Å; Y96-L100 HydrophobicContact CG-CD1 4.4Å; Y96-L100 WeakPolarHBondContact O-CG 3.43Å; Y96-L100 PolarHBondContact O-N 2.9Å; L100-I103 PolarHBondContact O-N 3.02Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.38Å; L100-L104 VanDerWaalsContact O-N 3.12Å |
| 101 | R | 95.5 | Very high | 86.5 | Confident | 160 Ų | 160 | 78.5 Ų | 78.5 | 60% | 0.604 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.7 | -52.1 | 173.4 | -76.7 | 172 | 176.9 | -177 | -2.5 | 111.1 | I97 A98 I103 L104 D105 | I97-R101 VanDerWaalsContact O-CG 3.31Å; I97-R101 WeakPolarHBondContact O-CG 3.18Å; I97-R101 PolarHBondContact O-N 2.99Å; A98-R101 PolarHBondContact O-N 3.06Å; R101-I103 VanDerWaalsContact C-N 3.26Å; R101-I103 PolarHBondContact O-N 3.47Å; R101-L104 WeakPolarHBondContact O-CA 3.16Å; R101-L104 WeakPolarHBondContact O-CB 3.3Å; R101-L104 PolarHBondContact O-N 2.97Å; R101-D105 PolarHBondContact O-N 3.29Å; R101-D105 VanDerWaalsContact O-OD2 3.08Å |
| 102 | R | 92.7 | Very high | 84.5 | Confident | 105 Ų | 105 | 81.7 Ų | 81.7 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -55.7 | -40.5 | 179.1 | -168.9 | 174.1 | 86.5 | 139.8 | -5.9 | 112.6 | A98 Y99 D105 T106 L148 D149 | A98-R102 PolarHBondContact O-N 3.24Å; A98-R102 VanDerWaalsContact O-N 3.08Å; Y99-R102 PolarHBondContact O-N 3.2Å; R102-D105 PolarHBondContact O-N 3.25Å; R102-T106 WeakPolarHBondContact O-CG2 3.37Å; R102-T106 PolarHBondContact O-N 3.07Å; R102-T106 PolarHBondContact O-OG1 2.89Å; R102-T106 VanDerWaalsContact O-OG1 3.13Å; R102-L148 PolarHBondContact NH1-O 3.46Å; R102-L148 PolarHBondContact NH2-O 3.48Å; R102-D149 PolarHBondContact NH2-O 3.45Å |
| 103 | I | 94 | Very high | 82.6 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 37% | 0.369 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 175.2 | -72.2 | 173.2 | 0 | 0 | 0 | 110.9 | Y99 L100 R101 D105 T106 S107 | Y99-I103 HydrophobicContact CD1-CD1 4.01Å; Y99-I103 HydrophobicContact CE1-CD1 3.45Å; Y99-I103 VanDerWaalsContact CE1-CD1 3.45Å; Y99-I103 HydrophobicContact CE2-CD1 4.08Å; Y99-I103 PolarHBondContact O-N 3Å; Y99-I103 VanDerWaalsContact O-N 3.12Å; L100-I103 PolarHBondContact O-N 3.02Å; R101-I103 VanDerWaalsContact C-N 3.26Å; R101-I103 PolarHBondContact O-N 3.47Å; I103-D105 PolarHBondContact O-N 2.86Å; I103-T106 PolarHBondContact O-N 3.38Å; I103-T106 PolarHBondContact O-OG1 3.37Å; I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 2.83Å |
| 104 | L | 93.5 | Very high | 80.3 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.6 | -48.7 | 178.7 | -66 | 167.9 | 0 | 0 | 0 | 111.2 | L100 R101 T106 S107 E108 | L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.38Å; L100-L104 VanDerWaalsContact O-N 3.12Å; R101-L104 WeakPolarHBondContact O-CA 3.16Å; R101-L104 WeakPolarHBondContact O-CB 3.3Å; R101-L104 PolarHBondContact O-N 2.97Å; L104-T106 VanDerWaalsContact C-N 3.32Å; L104-T106 PolarHBondContact O-N 3.3Å; L104-S107 WeakPolarHBondContact CA-OG 3.02Å; L104-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-OG 3.44Å; L104-E108 PolarHBondContact O-N 3.28Å; L104-E108 VanDerWaalsContact O-N 3.12Å |
| 105 | D | 91.4 | Very high | 77.8 | Confident | 108 Ų | 108 | 99.6 Ų | 99.6 | 58% | 0.578 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.5 | -42.1 | 178.7 | -55.4 | -35.4 | 0 | 0 | 0 | 112 | R101 R102 I103 S109 | R101-D105 PolarHBondContact O-N 3.29Å; R101-D105 VanDerWaalsContact O-OD2 3.08Å; R102-D105 PolarHBondContact O-N 3.25Å; I103-D105 PolarHBondContact O-N 2.86Å; D105-S109 PolarHBondContact O-N 3.38Å; D105-S109 PolarHBondContact O-OG 3.47Å |
| 106 | T | 85.8 | Confident | 75.4 | Confident | 66 Ų | 66 | 104.5 Ų | 104.5 | 41% | 0.405 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.9 | -33.2 | 174.1 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | R102 I103 L104 S109 H110 | R102-T106 WeakPolarHBondContact O-CG2 3.37Å; R102-T106 PolarHBondContact O-N 3.07Å; R102-T106 PolarHBondContact O-OG1 2.89Å; R102-T106 VanDerWaalsContact O-OG1 3.13Å; I103-T106 PolarHBondContact O-N 3.38Å; I103-T106 PolarHBondContact O-OG1 3.37Å; L104-T106 VanDerWaalsContact C-N 3.32Å; L104-T106 PolarHBondContact O-N 3.3Å; T106-S109 WeakPolarHBondContact O-CB 3.38Å; T106-S109 PolarHBondContact O-N 2.9Å; T106-H110 PolarHBondContact O-CD2 2.85Å; T106-H110 PolarHBondContact O-N 3.31Å; T106-H110 VanDerWaalsContact O-N 3.11Å |
| 107 | S | 74.7 | Confident | 72.7 | Confident | 54 Ų | 54 | 107.2 Ų | 107.2 | 38% | 0.378 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.9 | -35.2 | -178.2 | 73.4 | 0 | 0 | 0 | 0 | 113.4 | I103 L104 S109 T111 | I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 2.83Å; L104-S107 WeakPolarHBondContact CA-OG 3.02Å; L104-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-OG 3.44Å; S107-S109 VanDerWaalsContact C-N 3.31Å; S107-T111 WeakPolarHBondContact O-CG2 3.2Å; S107-T111 PolarHBondContact O-N 3.42Å; S107-T111 PolarHBondContact O-OG1 2.97Å |
| 108 | E | 61.8 | Low | 70.5 | Confident | 149 Ų | 149 | 108.6 Ų | 108.6 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.8 | -30.3 | 171.2 | -64 | -161 | 179.1 | 0 | 0 | 111.7 | L104 T111 | L104-E108 PolarHBondContact O-N 3.28Å; L104-E108 VanDerWaalsContact O-N 3.12Å; E108-T111 PolarHBondContact O-OG1 3.38Å |
| 109 | S | 56.7 | Low | 67.9 | Low | 79 Ų | 79 | 115.2 Ų | 115.2 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69 | -36.1 | 176 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | D105 T106 S107 | D105-S109 PolarHBondContact O-N 3.38Å; D105-S109 PolarHBondContact O-OG 3.47Å; T106-S109 WeakPolarHBondContact O-CB 3.38Å; T106-S109 PolarHBondContact O-N 2.9Å; S107-S109 VanDerWaalsContact C-N 3.31Å |
| 110 | H | 54 | Low | 65.9 | Low | 135 Ų | 135 | 118.6 Ų | 118.6 | 63% | 0.625 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -86.9 | -16.3 | -177.9 | -71.4 | -60.9 | 0 | 0 | 0 | 114.9 | T106 I112 | T106-H110 PolarHBondContact O-CD2 2.85Å; T106-H110 PolarHBondContact O-N 3.31Å; T106-H110 VanDerWaalsContact O-N 3.11Å; H110-I112 VanDerWaalsContact C-N 3.29Å; H110-I112 PolarHBondContact O-N 3.36Å |
| 111 | T | 52.7 | Low | 63.5 | Low | 106 Ų | 106 | 120.8 Ų | 120.8 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -8.4 | -176.1 | 35.8 | 0 | 0 | 0 | 0 | 114.7 | S107 E108 | S107-T111 WeakPolarHBondContact O-CG2 3.2Å; S107-T111 PolarHBondContact O-N 3.42Å; S107-T111 PolarHBondContact O-OG1 2.97Å; E108-T111 PolarHBondContact O-OG1 3.38Å |
| 112 | I | 53.4 | Low | 61.1 | Low | 148 Ų | 148 | 121.5 Ų | 121.5 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -23.8 | 179.5 | -62.8 | 179.3 | 0 | 0 | 0 | 112.7 | H110 | H110-I112 VanDerWaalsContact C-N 3.29Å; H110-I112 PolarHBondContact O-N 3.36Å |
| 113 | I | 55.9 | Low | 58.9 | Low | 148 Ų | 148 | 125.4 Ų | 125.4 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -20.1 | -167.9 | -60 | 177.5 | 0 | 0 | 0 | 113 | ||
| 114 | A | 50.8 | Low | 56.7 | Low | 87 Ų | 87 | 127.6 Ų | 127.6 | 72% | 0.719 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -106.4 | 27 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 115 | R | 44.1 | Very low | 54.4 | Low | 213 Ų | 213 | 134.4 Ų | 134.4 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | -114.7 | 101.1 | 174.3 | -175.9 | 171.9 | 177.5 | 158.3 | -1.2 | 111.3 | S117 | R115-S117 PolarHBondContact O-N 2.94Š| ||
| 116 | P | 46.2 | Very low | 52.4 | Low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -63.9 | 134.1 | 169 | 26.9 | -33.1 | 0 | 0 | 0 | 110 | V118 | P116-V118 PolarHBondContact O-N 3.42Å; P116-V118 VanDerWaalsContact O-N 3.12Å | ||
| 117 | S | 40 | Very low | 50.4 | Low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -71.2 | 103.1 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | R115 | R115-S117 PolarHBondContact O-N 2.94Š| ||
| 118 | V | 51 | Low | 49.1 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -92.2 | 113.1 | 157.6 | -179.3 | 0 | 0 | 0 | 0 | 107 | P116 I120 | P116-V118 PolarHBondContact O-N 3.42Å; P116-V118 VanDerWaalsContact O-N 3.12Å; V118-I120 HydrophobicContact CG1-CG1 4.36Å; V118-I120 PolarHBondContact O-N 3.16Å | ||
| 119 | E | 42.5 | Very low | 48.3 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -69 | 120.1 | 174.6 | -62.3 | -179.4 | 155.6 | 0 | 0 | 109.5 | ||||
| 120 | I | 50.7 | Low | 47.8 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | -129.8 | 131.8 | 162.3 | -61.9 | -176.5 | 0 | 0 | 0 | 107.2 | V118 | V118-I120 HydrophobicContact CG1-CG1 4.36Å; V118-I120 PolarHBondContact O-N 3.16Å | ||
| 121 | T | 46 | Very low | 47.6 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -79.2 | 131.3 | -160.5 | -44.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 122 | E | 45.4 | Very low | 47 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 63.9 | 171.8 | 155.2 | -71.2 | 174 | 148.6 | 0 | 0 | 120.3 | ||
| 123 | E | 46.4 | Very low | 46.6 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 51.2 | 66.5 | 169 | -53.5 | -143.1 | 140.7 | 0 | 0 | 120.3 | ||||
| 124 | S | 47.4 | Very low | 46 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -155.2 | 51.3 | 155.2 | -86.1 | 0 | 0 | 0 | 0 | 114.1 | I126 | S124-I126 PolarHBondContact O-N 2.82Š| ||
| 125 | R | 45.3 | Very low | 45.5 | Very low | 250 Ų | 250 | 153 Ų | 153 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -81.1 | 38.9 | -176 | -156.9 | -175.3 | -74.8 | -117.2 | 2.4 | 114 | ||||
| 126 | I | 50.2 | Low | 45.1 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -108.3 | 101.6 | -171.3 | -56.5 | -177.6 | 0 | 0 | 0 | 112.5 | S124 | S124-I126 PolarHBondContact O-N 2.82Š| ||
| 127 | I | 43.7 | Very low | 44.9 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | 44.2 | 96.8 | 143 | -47.2 | 175.4 | 0 | 0 | 0 | 117 | T129 | I127-T129 HydrophobicContact CG2-CG2 4.14Š| ||
| 128 | R | 46.9 | Very low | 44.9 | Very low | 247 Ų | 247 | 147.7 Ų | 147.7 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -121.8 | 78.4 | 149.5 | -83.8 | -170.1 | 165.2 | 100 | -3.3 | 110.3 | A130 | R128-A130 PolarHBondContact O-N 3.48Å; R128-A130 VanDerWaalsContact O-N 3.08Å | ||
| 129 | T | 45.6 | Very low | 44.3 | Very low | 123 Ų | 123 | 151 Ų | 151 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -71.4 | 94.9 | 170.8 | 45.4 | 0 | 0 | 0 | 0 | 110 | I127 T131 | I127-T129 HydrophobicContact CG2-CG2 4.14Å; T129-T131 PolarHBondContact O-N 3.36Å | ||
| 130 | A | 46.6 | Very low | 43.9 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -72.7 | 105.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R128 S132 | R128-A130 PolarHBondContact O-N 3.48Å; R128-A130 VanDerWaalsContact O-N 3.08Å; A130-S132 PolarHBondContact O-N 3.05Å; A130-S132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | T | 48.1 | Very low | 43.1 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -65.2 | 105 | 166.9 | 41.8 | 0 | 0 | 0 | 0 | 109.9 | T129 L133 | T129-T131 PolarHBondContact O-N 3.36Å; T131-L133 PolarHBondContact O-N 2.93Å; T131-L133 VanDerWaalsContact O-N 3.09Å | ||
| 132 | S | 41.6 | Very low | 42.8 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 102.3 | -176.6 | -49.7 | 0 | 0 | 0 | 0 | 112.7 | A130 K134 | A130-S132 PolarHBondContact O-N 3.05Å; A130-S132 VanDerWaalsContact O-N 3.09Å; S132-K134 PolarHBondContact O-N 2.76Å; S132-K134 VanDerWaalsContact O-N 3.13Å | ||
| 133 | L | 43.9 | Very low | 42.2 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 79.4 | 169.1 | -68.6 | -179.7 | 0 | 0 | 0 | 110.6 | T131 L135 | T131-L133 PolarHBondContact O-N 2.93Å; T131-L133 VanDerWaalsContact O-N 3.09Å; L133-L135 HydrophobicContact CB-CD1 4.41Å; L133-L135 PolarHBondContact O-N 3.5Å | ||
| 134 | K | 44 | Very low | 42.1 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -77.5 | 80.3 | -179 | -158.5 | 170.3 | -171.4 | 174.6 | 0 | 110.9 | S132 S136 | S132-K134 PolarHBondContact O-N 2.76Å; S132-K134 VanDerWaalsContact O-N 3.13Å; K134-S136 PolarHBondContact O-N 3.09Å | ||
| 135 | L | 39.7 | Very low | 41.8 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -69 | 88.6 | 176.9 | -101.7 | 72.3 | 0 | 0 | 0 | 111.5 | L133 T137 | L133-L135 HydrophobicContact CB-CD1 4.41Å; L133-L135 PolarHBondContact O-N 3.5Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.94Å; L135-T137 PolarHBondContact O-OG1 3.23Å | ||
| 136 | S | 35.9 | Very low | 41.8 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -66.6 | 86.3 | 169.4 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | K134 S138 | K134-S136 PolarHBondContact O-N 3.09Å; S136-S138 PolarHBondContact O-N 3.43Å; S136-S138 VanDerWaalsContact O-N 3.15Å | ||
| 137 | T | 42.5 | Very low | 41.3 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -77.2 | 100.3 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | L135 | L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.94Å; L135-T137 PolarHBondContact O-OG1 3.23Å | ||
| 138 | S | 39.9 | Very low | 41.4 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 136 | 170.8 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | S136 S140 | S136-S138 PolarHBondContact O-N 3.43Å; S136-S138 VanDerWaalsContact O-N 3.15Å; S138-S140 PolarHBondContact O-N 2.82Å |
| 139 | Q | 37.6 | Very low | 41.1 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -48 | 118.8 | -174.3 | -69.3 | 168.9 | -25.7 | 0 | 0 | 112.9 | ||
| 140 | S | 35.2 | Very low | 40.6 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 120.9 | 167.6 | 59.3 | 0 | 0 | 0 | 0 | 109.2 | S138 F142 | S138-S140 PolarHBondContact O-N 2.82Å; S140-F142 PolarHBondContact O-N 3.48Å |
| 141 | N | 34 | Very low | 40.2 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -75.4 | 60.7 | -174 | -61.2 | -16.3 | 0 | 0 | 0 | 113.1 | ||
| 142 | F | 38.3 | Very low | 40 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 74% | 0.737 | 72% | 0.718 | S | S | * | * | trans | -125.7 | 76.8 | 172.1 | -82.3 | -80.6 | 0 | 0 | 0 | 108.8 | S140 L144 | S140-F142 PolarHBondContact O-N 3.48Å; F142-L144 PolarHBondContact O-N 3.05Å | ||
| 143 | E | 33.1 | Very low | 39.9 | Very low | 195 Ų | 195 | 131.2 Ų | 131.2 | 91% | 0.911 | 72% | 0.718 | S | S | * | * | trans | -68.4 | 97.6 | 171.5 | -68.3 | -176.4 | 124.7 | 0 | 0 | 110 | ||||
| 144 | L | 45.4 | Very low | 40.1 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 57% | 0.571 | 69% | 0.693 | S | S | * | * | trans | -81.6 | 125.1 | 156.7 | -66.6 | 176.6 | 0 | 0 | 0 | 107.2 | A98 F142 | A98-L144 HydrophobicContact CB-CD1 4.43Å; F142-L144 PolarHBondContact O-N 3.05Å | ||
| 145 | N | 41.3 | Very low | 40.3 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | trans | -56.7 | 121.2 | -171.5 | -172.1 | -16.4 | 0 | 0 | 0 | 110.9 | N147 | N145-N147 PolarHBondContact O-N 3.06Å; N145-N147 PolarHBondContact OD1-N 3.31Å; N145-N147 PolarHBondContact OD1-ND2 2.96Å | ||
| 146 | P | 44.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -70.5 | -12.3 | -170.5 | 27.1 | -35.8 | 0 | 0 | 0 | 114.5 | L148 | P146-L148 PolarHBondContact O-N 2.97Š|
| 147 | N | 39.6 | Very low | 41.4 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | trans | -78.6 | 40.8 | -174.7 | -60.1 | -70.9 | 0 | 0 | 0 | 114.2 | N145 | N145-N147 PolarHBondContact O-N 3.06Å; N145-N147 PolarHBondContact OD1-N 3.31Å; N145-N147 PolarHBondContact OD1-ND2 2.96Å | ||
| 148 | L | 45.5 | Very low | 41.9 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | trans | -88.4 | 103 | 163.8 | -95 | 163.6 | 0 | 0 | 0 | 107.6 | R102 P146 L162 | R102-L148 PolarHBondContact NH1-O 3.46Å; R102-L148 PolarHBondContact NH2-O 3.48Å; P146-L148 PolarHBondContact O-N 2.97Å; L148-L162 HydrophobicContact CD2-CD2 4.47Å | ||
| 149 | D | 40.4 | Very low | 42.4 | Very low | 123 Ų | 123 | 114.8 Ų | 114.8 | 66% | 0.658 | 62% | 0.618 | S | S | * | * | trans | -55.9 | 155.2 | -174.4 | -162.4 | 4.1 | 0 | 0 | 0 | 112.8 | R102 | R102-D149 PolarHBondContact NH2-O 3.45Š| ||
| 150 | S | 35.4 | Very low | 43.1 | Very low | 60 Ų | 60 | 109.2 Ų | 109.2 | 42% | 0.42 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -66.7 | 164.4 | 165.9 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | A152 | S150-A152 PolarHBondContact O-N 3.02Š|
| 151 | N | 38.3 | Very low | 43.9 | Very low | 164 Ų | 164 | 108.2 Ų | 108.2 | 88% | 0.877 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 69.3 | -19.7 | 169.9 | -44.5 | -45.3 | 0 | 0 | 0 | 118 | L153 | N151-L153 PolarHBondContact O-N 2.87Š|
| 152 | A | 43.8 | Very low | 44.7 | Very low | 75 Ų | 75 | 104.9 Ų | 104.9 | 62% | 0.62 | 56% | 0.561 | S | S | * | * | trans | -88.1 | 98.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | S150 P154 | S150-A152 PolarHBondContact O-N 3.02Å; A152-P154 WeakPolarHBondContact O-CD 3.43Å; A152-P154 VanDerWaalsContact O-N 3.15Å | ||
| 153 | L | 39.2 | Very low | 45.4 | Very low | 148 Ų | 148 | 99.6 Ų | 99.6 | 78% | 0.775 | 54% | 0.537 | S | S | * | . | trans | -57.9 | 113.5 | 164.9 | 177.3 | 68.4 | 0 | 0 | 0 | 108.5 | N151 | N151-L153 PolarHBondContact O-N 2.87Š| ||
| 154 | P | 48.9 | Very low | 46.2 | Very low | 39 Ų | 39 | 93 Ų | 93 | 25% | 0.253 | 51% | 0.51 | S | S | . | . | trans | -73.6 | 136.1 | -179.8 | -13.3 | 29.4 | 0 | 0 | 0 | 109.1 | A152 T156 L159 | A152-P154 WeakPolarHBondContact O-CD 3.43Å; A152-P154 VanDerWaalsContact O-N 3.15Å; P154-T156 PolarHBondContact O-N 3.15Å; P154-L159 HydrophobicContact CB-CD1 4.36Å; P154-L159 HydrophobicContact CB-CD2 4.41Å; P154-L159 HydrophobicContact CB-CG 3.86Å; P154-L159 HydrophobicContact CG-CD1 4.41Å; P154-L159 HydrophobicContact CG-CD2 4.45Å; P154-L159 HydrophobicContact CG-CG 4.23Å | ||
| 155 | D | 47.4 | Very low | 46.4 | Very low | 84 Ų | 84 | 92.8 Ų | 92.8 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | trans | -52.1 | 140.6 | 165.3 | -63.9 | -75.9 | 0 | 0 | 0 | 109.8 | I157 K158 L159 | D155-I157 CarbonylContact O-C 3.55Å; D155-I157 PolarHBondContact O-N 2.79Å; D155-K158 HydrophobicContact CB-CB 4.02Å; D155-K158 HydrophobicContact CB-CD 4.13Å; D155-K158 HydrophobicContact CB-CG 3.95Å; D155-K158 WeakPolarHBondContact O-CA 3.46Å; D155-K158 WeakPolarHBondContact O-CB 3.42Å; D155-K158 PolarHBondContact O-N 2.95Å; D155-K158 WeakPolarHBondContact OD2-CD 3.36Å; D155-K158 WeakPolarHBondContact OD2-CE 3.42Å; D155-K158 IonicContact OD2-NZ 2.65Å; D155-K158 PolarHBondContact OD2-NZ 2.84Å; D155-L159 PolarHBondContact O-N 3.45Å; D155-L159 VanDerWaalsContact O-N 3.15Å | ||
| 156 | T | 49.4 | Very low | 46.4 | Very low | 89 Ų | 89 | 92.2 Ų | 92.2 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -41.6 | -36.3 | 168.1 | -47.1 | 0 | 0 | 0 | 0 | 111.9 | W77 P154 | W77-T156 HydrophobicContact CB-CG2 3.38Å; P154-T156 PolarHBondContact O-N 3.15Å |
| 157 | I | 51.1 | Low | 46.4 | Very low | 116 Ų | 116 | 90.8 Ų | 90.8 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -83.1 | -35.2 | 178.6 | -58.5 | 170.9 | 0 | 0 | 0 | 112.4 | D155 F160 N161 | D155-I157 CarbonylContact O-C 3.55Å; D155-I157 PolarHBondContact O-N 2.79Å; I157-F160 PolarHBondContact O-N 2.97Å; I157-N161 WeakPolarHBondContact O-CB 3.31Å; I157-N161 VanDerWaalsContact O-CG 3.27Å; I157-N161 PolarHBondContact O-N 3.5Å |
| 158 | K | 51.9 | Low | 46.3 | Very low | 129 Ų | 129 | 87.1 Ų | 87.1 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 176.9 | -81.6 | 175.7 | -176.1 | 144.3 | 0 | 111.6 | D155 N161 L162 | D155-K158 HydrophobicContact CB-CB 4.02Å; D155-K158 HydrophobicContact CB-CD 4.13Å; D155-K158 HydrophobicContact CB-CG 3.95Å; D155-K158 WeakPolarHBondContact O-CA 3.46Å; D155-K158 WeakPolarHBondContact O-CB 3.42Å; D155-K158 PolarHBondContact O-N 2.95Å; D155-K158 WeakPolarHBondContact OD2-CD 3.36Å; D155-K158 WeakPolarHBondContact OD2-CE 3.42Å; D155-K158 IonicContact OD2-NZ 2.65Å; D155-K158 PolarHBondContact OD2-NZ 2.84Å; K158-N161 PolarHBondContact O-N 2.65Å; K158-L162 VanDerWaalsContact O-CB 3.22Å; K158-L162 WeakPolarHBondContact O-CB 3.3Å; K158-L162 PolarHBondContact O-N 3.11Å |
| 159 | L | 51.2 | Low | 46.1 | Very low | 22 Ų | 22 | 88.8 Ų | 88.8 | 12% | 0.115 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 173.9 | -80.6 | 177.1 | 0 | 0 | 0 | 111.8 | W77 P154 D155 N161 L162 F163 | W77-L159 HydrophobicContact CE3-CD1 4.3Å; W77-L159 HydrophobicContact CZ3-CD1 4.17Å; P154-L159 HydrophobicContact CB-CD1 4.36Å; P154-L159 HydrophobicContact CB-CD2 4.41Å; P154-L159 HydrophobicContact CB-CG 3.86Å; P154-L159 HydrophobicContact CG-CD1 4.41Å; P154-L159 HydrophobicContact CG-CD2 4.45Å; P154-L159 HydrophobicContact CG-CG 4.23Å; D155-L159 PolarHBondContact O-N 3.45Å; D155-L159 VanDerWaalsContact O-N 3.15Å; L159-N161 PolarHBondContact O-N 2.92Å; L159-L162 PolarHBondContact O-N 2.89Å; L159-F163 HydrophobicContact CB-CD2 4.44Å; L159-F163 HydrophobicContact CB-CE2 4.44Å; L159-F163 HydrophobicContact CD2-CE2 4.07Å; L159-F163 WeakPolarHBondContact O-CD2 3.38Å; L159-F163 PolarHBondContact O-N 3.06Å |
| 160 | F | 50.6 | Low | 46.1 | Very low | 73 Ų | 73 | 92 Ų | 92 | 32% | 0.32 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -55 | -51.4 | 176.1 | 179 | -100.3 | 0 | 0 | 0 | 111.3 | L84 I157 L162 F163 T164 | L84-F160 HydrophobicContact CD2-CE2 4.29Å; I157-F160 PolarHBondContact O-N 2.97Å; F160-L162 PolarHBondContact O-N 3.1Å; F160-F163 PolarHBondContact O-N 2.91Å; F160-T164 HydrophobicContact CD1-CG2 4.48Å; F160-T164 HydrophobicContact CD2-CG2 4.42Å; F160-T164 HydrophobicContact CE1-CG2 4.13Å; F160-T164 HydrophobicContact CE2-CG2 4.07Å; F160-T164 HydrophobicContact CZ-CG2 3.92Å; F160-T164 WeakPolarHBondContact O-CG2 3.4Å; F160-T164 PolarHBondContact O-N 2.88Å; F160-T164 PolarHBondContact O-OG1 3.33Å; F160-T164 VanDerWaalsContact O-OG1 3.04Å |
| 161 | N | 52.4 | Low | 46.4 | Very low | 67 Ų | 67 | 98.1 Ų | 98.1 | 36% | 0.358 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 177.8 | -71.8 | -8.6 | 0 | 0 | 0 | 112.8 | I157 K158 L159 F163 T164 N165 | I157-N161 WeakPolarHBondContact O-CB 3.31Å; I157-N161 VanDerWaalsContact O-CG 3.27Å; I157-N161 PolarHBondContact O-N 3.5Å; K158-N161 PolarHBondContact O-N 2.65Å; L159-N161 PolarHBondContact O-N 2.92Å; N161-F163 VanDerWaalsContact C-N 3.33Å; N161-F163 PolarHBondContact O-N 2.95Å; N161-T164 WeakPolarHBondContact CA-OG1 3.48Å; N161-T164 PolarHBondContact O-N 2.95Å; N161-T164 PolarHBondContact O-OG1 3.07Å; N161-N165 WeakPolarHBondContact O-CB 3.32Å; N161-N165 PolarHBondContact O-N 3.47Å; N161-N165 PolarHBondContact O-ND2 3.04Å |
| 162 | L | 52.4 | Low | 46.3 | Very low | 80 Ų | 80 | 98 Ų | 98 | 42% | 0.419 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | 176.6 | -165.7 | 73.4 | 0 | 0 | 0 | 111.4 | L148 K158 L159 F160 N166 | L148-L162 HydrophobicContact CD2-CD2 4.47Å; K158-L162 VanDerWaalsContact O-CB 3.22Å; K158-L162 WeakPolarHBondContact O-CB 3.3Å; K158-L162 PolarHBondContact O-N 3.11Å; L159-L162 PolarHBondContact O-N 2.89Å; F160-L162 PolarHBondContact O-N 3.1Å; L162-N166 VanDerWaalsContact CD1-ND2 3.31Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.47Å; L162-N166 VanDerWaalsContact O-CB 3.3Å; L162-N166 WeakPolarHBondContact O-CB 3.35Å; L162-N166 PolarHBondContact O-N 3.04Å; L162-N166 PolarHBondContact O-ND2 3.41Å |
| 163 | F | 52 | Low | 46 | Very low | 56 Ų | 56 | 101.6 Ų | 101.6 | 25% | 0.246 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -80.4 | -28.6 | 176.9 | -75.2 | -61.8 | 0 | 0 | 0 | 114.1 | W77 L92 L159 F160 N161 | W77-F163 HydrophobicContact CZ2-CE2 4.41Å; L92-F163 HydrophobicContact CD2-CB 3.65Å; L92-F163 HydrophobicContact CD2-CD1 4.48Å; L92-F163 HydrophobicContact CD2-CD2 3.32Å; L92-F163 HydrophobicContact CD2-CE2 4.07Å; L92-F163 HydrophobicContact CD2-CG 3.58Å; L159-F163 HydrophobicContact CB-CD2 4.44Å; L159-F163 HydrophobicContact CB-CE2 4.44Å; L159-F163 HydrophobicContact CD2-CE2 4.07Å; L159-F163 WeakPolarHBondContact O-CD2 3.38Å; L159-F163 PolarHBondContact O-N 3.06Å; F160-F163 PolarHBondContact O-N 2.91Å; N161-F163 VanDerWaalsContact C-N 3.33Å; N161-F163 PolarHBondContact O-N 2.95Å |
| 164 | T | 49.6 | Very low | 46.3 | Very low | 57 Ų | 57 | 101 Ų | 101 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -84.8 | -43.4 | 177.1 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | F160 N161 S167 | F160-T164 HydrophobicContact CD1-CG2 4.48Å; F160-T164 HydrophobicContact CD2-CG2 4.42Å; F160-T164 HydrophobicContact CE1-CG2 4.13Å; F160-T164 HydrophobicContact CE2-CG2 4.07Å; F160-T164 HydrophobicContact CZ-CG2 3.92Å; F160-T164 WeakPolarHBondContact O-CG2 3.4Å; F160-T164 PolarHBondContact O-N 2.88Å; F160-T164 PolarHBondContact O-OG1 3.33Å; F160-T164 VanDerWaalsContact O-OG1 3.04Å; N161-T164 WeakPolarHBondContact CA-OG1 3.48Å; N161-T164 PolarHBondContact O-N 2.95Å; N161-T164 PolarHBondContact O-OG1 3.07Å; T164-S167 WeakPolarHBondContact O-CB 3.36Å; T164-S167 PolarHBondContact O-OG 3.29Å |
| 165 | N | 49 | Very low | 46 | Very low | 105 Ų | 105 | 107.5 Ų | 107.5 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.3 | -28.9 | -175.2 | -61.4 | -20.9 | 0 | 0 | 0 | 112.5 | N161 S167 | N161-N165 WeakPolarHBondContact O-CB 3.32Å; N161-N165 PolarHBondContact O-N 3.47Å; N161-N165 PolarHBondContact O-ND2 3.04Å; N165-S167 PolarHBondContact O-N 2.75Å |
| 166 | N | 42.2 | Very low | 45.8 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 36.2 | 172.3 | -70.6 | -58.5 | 0 | 0 | 0 | 113.5 | L162 G168 | L162-N166 VanDerWaalsContact CD1-ND2 3.31Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.47Å; L162-N166 VanDerWaalsContact O-CB 3.3Å; L162-N166 WeakPolarHBondContact O-CB 3.35Å; L162-N166 PolarHBondContact O-N 3.04Å; L162-N166 PolarHBondContact O-ND2 3.41Å; N166-G168 PolarHBondContact O-N 3.39Å |
| 167 | S | 44 | Very low | 45.5 | Very low | 80 Ų | 80 | 114.9 Ų | 114.9 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -73.6 | 14.7 | 174 | 42 | 0 | 0 | 0 | 0 | 114 | T164 N165 L169 K170 | T164-S167 WeakPolarHBondContact O-CB 3.36Å; T164-S167 PolarHBondContact O-OG 3.29Å; N165-S167 PolarHBondContact O-N 2.75Å; S167-L169 PolarHBondContact O-N 2.96Å; S167-L169 VanDerWaalsContact O-N 3.1Å; S167-K170 PolarHBondContact O-N 3.26Å |
| 168 | G | 37.5 | Very low | 45.2 | Very low | 63 Ų | 63 | 113.3 Ų | 113.3 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -62.4 | -9.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N166 K170 | N166-G168 PolarHBondContact O-N 3.39Å; G168-K170 PolarHBondContact O-N 3.19Å |
| 169 | L | 41.2 | Very low | 44.9 | Very low | 130 Ų | 130 | 115.8 Ų | 115.8 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -62.9 | 2.3 | 171.8 | -98.6 | 151.5 | 0 | 0 | 0 | 114.8 | S167 K171 | S167-L169 PolarHBondContact O-N 2.96Å; S167-L169 VanDerWaalsContact O-N 3.1Å; L169-K171 PolarHBondContact O-N 3.16Å |
| 170 | K | 41.5 | Very low | 44.3 | Very low | 189 Ų | 189 | 124.6 Ų | 124.6 | 82% | 0.822 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 38.2 | 174.8 | -159.1 | -174.8 | 176 | -178.2 | 0 | 113.7 | S167 G168 | S167-K170 PolarHBondContact O-N 3.26Å; G168-K170 PolarHBondContact O-N 3.19Å |
| 171 | K | 40.6 | Very low | 43.8 | Very low | 190 Ų | 190 | 125.5 Ų | 125.5 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.3 | 6.3 | -175.9 | -75.2 | -165.3 | 175.5 | -174.9 | 0 | 116.1 | L169 | L169-K171 PolarHBondContact O-N 3.16Š|
| 172 | H | 36.6 | Very low | 43.1 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 75% | 0.745 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -141.5 | 15.2 | -175.2 | -138.1 | -60.1 | 0 | 0 | 0 | 116.7 | ||
| 173 | Y | 37.7 | Very low | 42.7 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 59% | 0.592 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -112.6 | -14 | -175.5 | -83.6 | -81.9 | 0 | 0 | 0 | 115.9 | ||
| 174 | D | 44.7 | Very low | 42.2 | Very low | 134 Ų | 134 | 141 Ų | 141 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -77.8 | -27.6 | -170.4 | -68.8 | -52.1 | 0 | 0 | 0 | 114.7 | N176 | D174-N176 PolarHBondContact O-N 3.29Å |
| 175 | E | 43.7 | Very low | 42.1 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.6 | -25.7 | -171.4 | -64.3 | -167.3 | 131.2 | 0 | 0 | 114.8 | ||
| 176 | N | 42.4 | Very low | 41.7 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -103.1 | -14.2 | -173.5 | -80.6 | -69.4 | 0 | 0 | 0 | 115.1 | D174 | D174-N176 PolarHBondContact O-N 3.29Å |
| 177 | Y | 43.2 | Very low | 41.6 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -91.4 | -14.6 | -178.4 | -105.8 | -86.6 | 0 | 0 | 0 | 115.1 | K179 | Y177-K179 PolarHBondContact O-N 3.34Å |
| 178 | S | 44.8 | Very low | 41.5 | Very low | 83 Ų | 83 | 151.6 Ų | 151.6 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -7.5 | -175.6 | -157.2 | 0 | 0 | 0 | 0 | 114.9 | Y180 T181 | S178-Y180 PolarHBondContact O-N 3.04Å; S178-T181 PolarHBondContact O-OG1 2.95Å |
| 179 | K | 45.2 | Very low | 41.9 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -10.6 | -175.8 | -157.5 | 165.3 | -175.2 | 172.4 | 0 | 115.2 | Y177 | Y177-K179 PolarHBondContact O-N 3.34Š|
| 180 | Y | 38.4 | Very low | 41.9 | Very low | 207 Ų | 207 | 156.4 Ų | 156.4 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -112.3 | -2.3 | -173 | -75.5 | -75.2 | 0 | 0 | 0 | 116.1 | S178 | S178-Y180 PolarHBondContact O-N 3.04Š|
| 181 | T | 40.9 | Very low | 42.2 | Very low | 91 Ų | 91 | 154.8 Ų | 154.8 | 56% | 0.558 | 69% | 0.693 | S | S | * | * | trans | -87.2 | -13 | 179.8 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | S178 K183 H184 | S178-T181 PolarHBondContact O-OG1 2.95Å; T181-K183 PolarHBondContact O-N 3.49Å; T181-H184 PolarHBondContact O-N 3.5Å | ||
| 182 | Y | 37.4 | Very low | 42.5 | Very low | 202 Ų | 202 | 153 Ų | 153 | 79% | 0.792 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 28.5 | -163.1 | -132 | -88.7 | 0 | 0 | 0 | 117.1 | ||
| 183 | K | 43.4 | Very low | 43 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | -0.9 | 175.9 | -72.7 | -169 | 177 | 179.4 | 0 | 115.7 | T181 | T181-K183 PolarHBondContact O-N 3.49Š|
| 184 | H | 42.7 | Very low | 43.3 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -29.9 | 176.1 | -102.5 | -92.3 | 0 | 0 | 0 | 114.6 | T181 | T181-H184 PolarHBondContact O-N 3.5Š|
| 185 | E | 46.4 | Very low | 43 | Very low | 99 Ų | 99 | 157.5 Ų | 157.5 | 46% | 0.463 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -65.8 | -47.2 | -178.3 | -126.9 | 52.7 | -100.7 | 0 | 0 | 113.5 | R187 R188 | E185-R187 PolarHBondContact O-N 2.8Å; E185-R188 PolarHBondContact O-N 3.23Å; E185-R188 IonicContact OE1-CZ 3.25Å; E185-R188 VanDerWaalsContact OE1-CZ 3.25Å; E185-R188 IonicContact OE1-NE 3.06Å; E185-R188 PolarHBondContact OE1-NE 3.46Å; E185-R188 IonicContact OE1-NH2 2.66Å; E185-R188 PolarHBondContact OE1-NH2 2.86Å; E185-R188 IonicContact OE2-NH2 3.79Å |
| 186 | K | 40.6 | Very low | 42.8 | Very low | 160 Ų | 160 | 159.6 Ų | 159.6 | 70% | 0.696 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -68.7 | 20.7 | -179.2 | -87.6 | -174.1 | 173.1 | -178.7 | 0 | 116.2 | E189 | K186-E189 WeakPolarHBondContact CG-OE2 3.48Å |
| 187 | R | 40.9 | Very low | 42.8 | Very low | 169 Ų | 169 | 160.6 Ų | 160.6 | 64% | 0.638 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -111.4 | -36.9 | 163.8 | -77.7 | -174.7 | 173 | 143.7 | -2.2 | 112.8 | E185 K190 | E185-R187 PolarHBondContact O-N 2.8Å; R187-K190 PolarHBondContact O-N 3.34Å |
| 188 | R | 42 | Very low | 42.6 | Very low | 143 Ų | 143 | 157.7 Ų | 157.7 | 54% | 0.54 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -66 | -40.4 | 179.7 | -62.6 | -162.6 | -79.4 | -174.9 | -3 | 112 | E185 K190 E191 E192 | E185-R188 PolarHBondContact O-N 3.23Å; E185-R188 IonicContact OE1-CZ 3.25Å; E185-R188 VanDerWaalsContact OE1-CZ 3.25Å; E185-R188 IonicContact OE1-NE 3.06Å; E185-R188 PolarHBondContact OE1-NE 3.46Å; E185-R188 IonicContact OE1-NH2 2.66Å; E185-R188 PolarHBondContact OE1-NH2 2.86Å; E185-R188 IonicContact OE2-NH2 3.79Å; R188-K190 PolarHBondContact O-N 2.99Å; R188-E191 PolarHBondContact O-N 2.91Å; R188-E192 PolarHBondContact O-N 3.3Å |
| 189 | E | 44.9 | Very low | 42.1 | Very low | 115 Ų | 115 | 162 Ų | 162 | 54% | 0.537 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | 2.8 | 173.9 | -57 | 178.2 | 140 | 0 | 0 | 115.4 | K186 | K186-E189 WeakPolarHBondContact CG-OE2 3.48Š|
| 190 | K | 43.2 | Very low | 41.8 | Very low | 178 Ų | 178 | 161.3 Ų | 161.3 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -7.7 | 174.5 | -86.2 | -160.4 | 168.5 | -160.5 | 0 | 115.1 | R187 R188 | R187-K190 PolarHBondContact O-N 3.34Å; R188-K190 PolarHBondContact O-N 2.99Å |
| 191 | E | 46.4 | Very low | 41.7 | Very low | 155 Ų | 155 | 158.4 Ų | 158.4 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -22.2 | 179.4 | -70.4 | 164.1 | 174 | 0 | 0 | 110.6 | R188 K193 | R188-E191 PolarHBondContact O-N 2.91Å; E191-K193 VanDerWaalsContact C-N 3.26Å; E191-K193 PolarHBondContact O-N 3.36Å; E191-K193 VanDerWaalsContact O-N 3.14Å |
| 192 | E | 47.9 | Very low | 41.7 | Very low | 153 Ų | 153 | 161.8 Ų | 161.8 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 33.8 | 176.7 | -61.6 | 170.5 | 167 | 0 | 0 | 114 | R188 | R188-E192 PolarHBondContact O-N 3.3Š|
| 193 | K | 45.7 | Very low | 41.3 | Very low | 180 Ų | 180 | 157.8 Ų | 157.8 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | 7.5 | -177.1 | -74.8 | -164.2 | 175.3 | -174 | 0 | 116.7 | E191 | E191-K193 VanDerWaalsContact C-N 3.26Å; E191-K193 PolarHBondContact O-N 3.36Å; E191-K193 VanDerWaalsContact O-N 3.14Å |
| 194 | E | 44 | Very low | 40.9 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -113.4 | 0.7 | 175.8 | -62.6 | -172.7 | 154.8 | 0 | 0 | 113 | ||
| 195 | E | 40.2 | Very low | 40.4 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -103.3 | 56 | -177.6 | -164.3 | 174.5 | -163.9 | 0 | 0 | 112.5 | ||||
| 196 | Y | 37.5 | Very low | 40 | Very low | 220 Ų | 220 | 158.3 Ų | 158.3 | 86% | 0.863 | 74% | 0.743 | S | S | * | * | trans | -161 | 69.5 | 172.9 | -124.1 | -71.1 | 0 | 0 | 0 | 115.2 | ||||
| 197 | L | 43.9 | Very low | 39.8 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -144.8 | 143 | 150.1 | -83.5 | -171.7 | 0 | 0 | 0 | 111 | ||||
| 198 | P | 39.5 | Very low | 39.3 | Very low | 121 Ų | 121 | 158 Ų | 158 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | -85 | 158.9 | -164.9 | -12.4 | 31.3 | 0 | 0 | 0 | 115.5 | L200 | P198-L200 PolarHBondContact O-N 2.91Š| ||
| 199 | L | 33.2 | Very low | 39.2 | Very low | 174 Ų | 174 | 156 Ų | 156 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -69.6 | 117.9 | 174.2 | -169.8 | 80.5 | 0 | 0 | 0 | 111.7 | ||||
| 200 | L | 38.2 | Very low | 38.6 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -167.3 | 106 | 159.2 | -111.6 | 167.8 | 0 | 0 | 0 | 110.5 | P198 | P198-L200 PolarHBondContact O-N 2.91Š| ||
| 201 | D | 36.4 | Very low | 38.4 | Very low | 147 Ų | 147 | 158.1 Ų | 158.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -136.6 | 129.5 | 159.2 | -170.4 | -5.9 | 0 | 0 | 0 | 108.2 | ||||
| 202 | H | 40.7 | Very low | 38.1 | Very low | 161 Ų | 161 | 158.2 Ų | 158.2 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -147.4 | 91.3 | 177.4 | -110.6 | 53.5 | 0 | 0 | 0 | 110.8 | ||||
| 203 | N | 29.8 | Very low | 37.6 | Very low | 118 Ų | 118 | 157.3 Ų | 157.3 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | trans | 74.7 | 135.9 | 144.2 | -93.8 | -71.2 | 0 | 0 | 0 | 120.1 | ||||
| 204 | Q | 34.8 | Very low | 37.1 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | 84.7 | 98.2 | 145.1 | -68.4 | 170.1 | 56.4 | 0 | 0 | 120.6 | ||||
| 205 | Q | 33.4 | Very low | 36.7 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | 96.5 | 143.6 | 115.7 | -72.5 | 172.6 | 8.3 | 0 | 0 | 121.2 | |||||
| 206 | H | 36.9 | Very low | 36.7 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 68% | 0.676 | 77% | 0.766 | S | S | * | * | trans | 81.4 | 99.7 | 153 | -70.3 | -50.1 | 0 | 0 | 0 | 123 | ||||
| 207 | Q | 35.8 | Very low | 36.8 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | 90.1 | 103.4 | 125.9 | -62.7 | -173.2 | 64.6 | 0 | 0 | 121.3 | |||||
| 208 | N | 30.7 | Very low | 36.2 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -70.9 | -178.9 | 147.9 | -80.3 | -44.9 | 0 | 0 | 0 | 111.6 | ||||
| 209 | P | 40.9 | Very low | 36.2 | Very low | 101 Ų | 101 | 152 Ų | 152 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | cis | -135.4 | -171.1 | -45.1 | 38.6 | -22.2 | 0 | 0 | 0 | 111.6 | ||||
| 210 | L | 30.8 | Very low | 36.5 | Very low | 152 Ų | 152 | 152 Ų | 152 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | 168.6 | 165.7 | 130.5 | -95.8 | 163.2 | 0 | 0 | 0 | 115.7 | ||||
| 211 | K | 39.5 | Very low | 36.5 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 81% | 0.809 | 75% | 0.747 | S | S | * | * | trans | 78.8 | 142.4 | 170.7 | -56.2 | 179.4 | -176.8 | 176.2 | 0 | 116.7 | ||||
| 212 | Q | 39.3 | Very low | 36.3 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | cis | 159.3 | 115.3 | -25.7 | -106.4 | 173.9 | -22.9 | 0 | 0 | 106.7 | ||||
| 213 | N | 37.6 | Very low | 36 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | 154.6 | 112 | 124.8 | -84.1 | -29 | 0 | 0 | 0 | 115.6 | |||||
| 214 | N | 35.2 | Very low | 36.1 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | 29 | 121.7 | 124.7 | -48.1 | -12.2 | 0 | 0 | 0 | 120 | |||||
| 215 | N | 36.8 | Very low | 36.2 | Very low | 142 Ų | 142 | 153.1 Ų | 153.1 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 176.3 | 152.3 | 91.9 | -97.2 | -39.8 | 0 | 0 | 0 | 114.8 | |||||
| 216 | Q | 40.7 | Very low | 36.3 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | 59.1 | 154 | 161.9 | -64.2 | 167.8 | 11.6 | 0 | 0 | 118.9 | ||||
| 217 | Q | 38.7 | Very low | 36.1 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | -176.1 | 123.7 | -52.1 | -112 | -173.7 | -30.8 | 0 | 0 | 107.1 | |||||
| 218 | Y | 30.9 | Very low | 36.1 | Very low | 203 Ų | 203 | 153.2 Ų | 153.2 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 39.4 | 112.1 | 159.8 | -65.9 | -82.4 | 0 | 0 | 0 | 122 | ||||
| 219 | S | 39.1 | Very low | 36.3 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -169.8 | 149.9 | 102.7 | -78.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 220 | Q | 41.4 | Very low | 35.8 | Very low | 175 Ų | 175 | 158 Ų | 158 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -92.1 | 168.8 | 178.2 | -60.3 | 162.7 | -96.2 | 0 | 0 | 110.1 | ||||
| 221 | S | 37.9 | Very low | 36.3 | Very low | 94 Ų | 94 | 158 Ų | 158 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | cis | -154 | 158.5 | 18.1 | -28.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 222 | D | 32.5 | Very low | 36 | Very low | 150 Ų | 150 | 157.6 Ų | 157.6 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | 67.2 | 66.1 | 140.7 | -51.4 | -15.6 | 0 | 0 | 0 | 121.4 | ||||
| 223 | R | 34 | Very low | 36.1 | Very low | 239 Ų | 239 | 158.7 Ų | 158.7 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -138.6 | 167.3 | 140.3 | -73.6 | -164.3 | 176.9 | -176.7 | 0.6 | 110.2 | ||||
| 224 | C | 31.9 | Very low | 35.9 | Very low | 118 Ų | 118 | 160.4 Ų | 160.4 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 73.2 | 133.2 | -164.6 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 225 | I | 35.6 | Very low | 36.2 | Very low | 157 Ų | 157 | 161.6 Ų | 161.6 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | 67.4 | 103.9 | 42.1 | -50.7 | 172.9 | 0 | 0 | 0 | 112.1 | ||||
| 226 | I | 36.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 160.6 Ų | 160.6 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -179.2 | 158.7 | 133.9 | -95.4 | 161.2 | 0 | 0 | 0 | 110.8 | ||||
| 227 | N | 31.7 | Very low | 35.7 | Very low | 137 Ų | 137 | 161.8 Ų | 161.8 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -73.5 | 179.8 | -171.3 | -64.8 | -33.1 | 0 | 0 | 0 | 116.7 | ||||
| 228 | H | 35.7 | Very low | 36.1 | Very low | 168 Ų | 168 | 160.4 Ų | 160.4 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | 75.2 | 130.1 | 166.4 | -67.6 | 20 | 0 | 0 | 0 | 114.7 | ||||
| 229 | Y | 35.2 | Very low | 36.5 | Very low | 199 Ų | 199 | 153.9 Ų | 153.9 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | -146.5 | 146.6 | 56.9 | -103.1 | -92.6 | 0 | 0 | 0 | 114 | |||||
| 230 | N | 31.9 | Very low | 36.3 | Very low | 155 Ų | 155 | 154.6 Ų | 154.6 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -91.8 | 151.2 | 156.1 | -106.7 | -15.5 | 0 | 0 | 0 | 109.3 | ||||
| 231 | H | 39.4 | Very low | 36.3 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 70% | 0.704 | 77% | 0.772 | S | S | * | * | trans | -135.5 | 119.3 | 163.3 | -101 | 42.1 | 0 | 0 | 0 | 109 | ||||
| 232 | Q | 34.8 | Very low | 36.1 | Very low | 176 Ų | 176 | 158.2 Ų | 158.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -89.4 | 135.8 | 167.3 | -70.2 | 173.3 | -50.7 | 0 | 0 | 108.6 | ||||
| 233 | H | 40 | Very low | 36.3 | Very low | 180 Ų | 180 | 161.2 Ų | 161.2 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | -112.9 | 117.2 | 156.1 | -83 | -75 | 0 | 0 | 0 | 108.2 | ||||
| 234 | H | 34.6 | Very low | 36.4 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | trans | -97.4 | 132.5 | 178.4 | -142.1 | -59.5 | 0 | 0 | 0 | 108.4 | ||||
| 235 | I | 40.9 | Very low | 36.5 | Very low | 153 Ų | 153 | 156.6 Ų | 156.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -128.6 | 141.6 | 163.7 | -68.7 | -174.7 | 0 | 0 | 0 | 107.6 | ||||
| 236 | P | 37.8 | Very low | 36.5 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -89 | 173.9 | -163.8 | -8.4 | 29.2 | 0 | 0 | 0 | 114.6 | ||||
| 237 | Y | 28.6 | Very low | 36.6 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -107.7 | 137.3 | -177.2 | 177.1 | -95 | 0 | 0 | 0 | 110.9 | P239 | Y237-P239 HydrophobicContact CE1-CB 4.47Å; Y237-P239 HydrophobicContact CE1-CG 3.77Å | ||
| 238 | V | 48.3 | Very low | 36.8 | Very low | 137 Ų | 137 | 154 Ų | 154 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | -145.6 | 121.7 | 167.7 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 239 | P | 38 | Very low | 36.7 | Very low | 66 Ų | 66 | 153.1 Ų | 153.1 | 43% | 0.429 | 76% | 0.757 | S | S | . | * | trans | -100.4 | 150.6 | 162.8 | 37.4 | -28.9 | 0 | 0 | 0 | 110.8 | Y237 | Y237-P239 HydrophobicContact CE1-CB 4.47Å; Y237-P239 HydrophobicContact CE1-CG 3.77Å | ||
| 240 | D | 36.6 | Very low | 36.8 | Very low | 137 Ų | 137 | 150.3 Ų | 150.3 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | 166.8 | 169.9 | 113.1 | -99.6 | -28 | 0 | 0 | 0 | 114.4 | |||||
| 241 | H | 40.6 | Very low | 36.9 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | 90.5 | 126.2 | 163.2 | -54.1 | -49.4 | 0 | 0 | 0 | 119.4 | ||||
| 242 | Q | 33.1 | Very low | 36.6 | Very low | 173 Ų | 173 | 149 Ų | 149 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | -79.9 | 166.3 | 176.6 | -53.4 | 137.1 | -89.1 | 0 | 0 | 111 | ||||
| 243 | Y | 37.2 | Very low | 36.9 | Very low | 212 Ų | 212 | 149.9 Ų | 149.9 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | -170.4 | 122.9 | 117.2 | -108.1 | -72.8 | 0 | 0 | 0 | 113.1 | |||||
| 244 | N | 36.1 | Very low | 36.5 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | trans | 40.8 | 123.9 | 147.6 | -72.5 | -6.5 | 0 | 0 | 0 | 124.5 | ||||
| 245 | Q | 34.9 | Very low | 36.6 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | 67.5 | 150.3 | 116.2 | -61.5 | 172.5 | 32.6 | 0 | 0 | 119.6 | |||||
| 246 | T | 34.9 | Very low | 36 | Very low | 125 Ų | 125 | 148 Ų | 148 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | cis | -151.6 | 165.8 | 0.5 | 0.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 247 | P | 38.2 | Very low | 35.9 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | -102.1 | 166.8 | -174.6 | 39.6 | -33.3 | 0 | 0 | 0 | 114.5 | ||||
| 248 | L | 35.4 | Very low | 36.1 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -158.8 | 164.7 | 160.4 | -113 | 166.6 | 0 | 0 | 0 | 113.8 | ||||
| 249 | Q | 34.4 | Very low | 35.4 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | trans | -79.3 | 170.1 | -171.3 | -62.4 | 147.7 | -60 | 0 | 0 | 112 | ||||
| 250 | H | 37.1 | Very low | 35 | Very low | 141 Ų | 141 | 147.8 Ų | 147.8 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | -172.9 | 158 | 55.7 | -115 | -68.7 | 0 | 0 | 0 | 115 | |||||
| 251 | Q | 34.7 | Very low | 34.9 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | 58.4 | 110.2 | 145.2 | -83.6 | 159.3 | -15 | 0 | 0 | 123.1 | ||||
| 252 | D | 31.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | 42.8 | 133 | 112 | -55.8 | -56.7 | 0 | 0 | 0 | 122.2 | |||||
| 253 | H | 41.3 | Very low | 34.3 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | -163.4 | 158 | 108.6 | -91.3 | -43.1 | 0 | 0 | 0 | 113 | |||||
| 254 | H | 32 | Very low | 33.9 | Very low | 153 Ų | 153 | 143 Ų | 143 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | -70.1 | 157 | -174.6 | -89.2 | -113.4 | 0 | 0 | 0 | 114.8 | H256 | H254-H256 AromaticContact ND1-CD2 4Å; H254-H256 AromaticContact ND1-NE2 3.82Å | ||
| 255 | L | 36.4 | Very low | 33.8 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | -161.9 | 149.4 | 117 | -106.7 | 166.7 | 0 | 0 | 0 | 113 | |||||
| 256 | H | 29.5 | Very low | 33.7 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -88.3 | 154.8 | -179.3 | -73 | -112.7 | 0 | 0 | 0 | 112.4 | H254 | H254-H256 AromaticContact ND1-CD2 4Å; H254-H256 AromaticContact ND1-NE2 3.82Å | ||
| 257 | T | 34.1 | Very low | 33.6 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -151.2 | 129.2 | 134.8 | -75.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 258 | V | 32.9 | Very low | 33.4 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -91 | 150.9 | 174 | -72.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 259 | N | 34.1 | Very low | 33.4 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -165.3 | 97.8 | 151.8 | -99.4 | -39.6 | 0 | 0 | 0 | 110.6 | ||||
| 260 | S | 29.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -104.8 | 130.7 | 167.3 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 261 | V | 35.3 | Very low | 33.2 | Very low | 130 Ų | 130 | 146 Ų | 146 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | -117.5 | 102.6 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 262 | T | 29.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -84 | 133.6 | 172.9 | -61.2 | 0 | 0 | 0 | 0 | 109.9 | R264 | T262-R264 HydrophobicContact CG2-CG 4.41Š| ||
| 263 | C | 31.7 | Very low | 33.5 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -132.3 | 103.9 | 166.9 | -87.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 264 | R | 29 | Very low | 33.4 | Very low | 226 Ų | 226 | 139.1 Ų | 139.1 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -89.3 | 142.4 | 166.2 | -64.1 | 175.4 | 175.3 | 170 | -3 | 109.6 | T262 | T262-R264 HydrophobicContact CG2-CG 4.41Š| ||
| 265 | K | 33.9 | Very low | 33.9 | Very low | 193 Ų | 193 | 136.4 Ų | 136.4 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -156.2 | 114.6 | 144.7 | -106.4 | 164 | -179.4 | 177.8 | 0 | 108.2 | ||||
| 266 | F | 32.4 | Very low | 34 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | 72.5 | 138.3 | 89.9 | -91.3 | -116 | 0 | 0 | 0 | 113.2 | |||||
| 267 | N | 32.6 | Very low | 34.7 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | cis | -171 | 169.9 | -18.3 | -159.9 | 11.4 | 0 | 0 | 0 | 110 | ||||
| 268 | L | 34.4 | Very low | 34.8 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | 70.4 | 157.3 | 167.8 | -50.9 | 178.2 | 0 | 0 | 0 | 115.6 | ||||
| 269 | L | 34.7 | Very low | 35 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | cis | -132.3 | 164.4 | 11.9 | -172.7 | 60.4 | 0 | 0 | 0 | 112.6 | ||||
| 270 | S | 32.3 | Very low | 35.1 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -125.6 | 146.7 | -169.5 | -45.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 271 | T | 34.4 | Very low | 35.3 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -164.9 | 110.1 | 154.3 | 20.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 272 | S | 36 | Very low | 35.5 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | 88.8 | 137.6 | 84.1 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 273 | T | 37.7 | Very low | 35.7 | Very low | 121 Ų | 121 | 133 Ų | 133 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | cis | -151.1 | 157.4 | 22.8 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 274 | S | 39.4 | Very low | 36.2 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 31.3 | 147.1 | 143 | 62.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 275 | S | 41.1 | Very low | 36.7 | Very low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | cis | -176.8 | 128.1 | -2.4 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 276 | S | 40.4 | Very low | 37.1 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | 89.5 | 166.5 | 94.6 | -45.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 277 | P | 44.2 | Very low | 37.1 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | -141.8 | 178.6 | -94.6 | 39.5 | -18.1 | 0 | 0 | 0 | 118.2 | |||||
| 278 | S | 36.3 | Very low | 37.6 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | 37.3 | 132.6 | 145.1 | 60.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 279 | S | 35.8 | Very low | 37.8 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | -179.5 | 169.3 | 74.7 | -55 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 280 | T | 37.4 | Very low | 37.8 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | cis | -174.6 | 122.6 | 45.1 | -64.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 281 | T | 33.5 | Very low | 38 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | 62.8 | 121.3 | 92.9 | -34 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 282 | I | 39.6 | Very low | 38 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 82% | 0.821 | 75% | 0.745 | S | S | * | * | 165.5 | 145.2 | 129.5 | -84.4 | 164.3 | 0 | 0 | 0 | 111.8 | |||||
| 283 | Q | 33.5 | Very low | 37.6 | Very low | 173 Ų | 173 | 124.9 Ų | 124.9 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | -150.8 | -166.4 | -179.7 | -104.6 | -144.2 | -6 | 0 | 0 | 107.9 | ||||
| 284 | P | 41.3 | Very low | 37.3 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -106.1 | -143.8 | -9.3 | 19.8 | 5.9 | 0 | 0 | 0 | 110 | ||||
| 285 | T | 38.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -143.3 | -176.6 | 13.3 | 47.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 286 | T | 43 | Very low | 36.3 | Very low | 123 Ų | 123 | 131 Ų | 131 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | cis | -132.5 | -135.7 | 17.7 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 287 | D | 33.6 | Very low | 35.6 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -149.6 | -166.8 | -133.4 | -56.1 | -83.3 | 0 | 0 | 0 | 113.8 | ||||
| 288 | S | 41.5 | Very low | 34.8 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | 69.7 | 105.8 | -172.3 | 66.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 289 | E | 38.3 | Very low | 34.5 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | 85.3 | 132.1 | 65.5 | -80.6 | -174.2 | 165.4 | 0 | 0 | 113.2 | |||||
| 290 | F | 35 | Very low | 34 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -136 | 160.7 | -0.2 | -109.6 | -87.2 | 0 | 0 | 0 | 109.7 | ||||
| 291 | P | 37.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | -110.7 | 176.5 | -176.9 | 40 | -29.5 | 0 | 0 | 0 | 114.2 | ||||
| 292 | I | 33.4 | Very low | 33.4 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -166.5 | 140.7 | 137.6 | -100.7 | 151.3 | 0 | 0 | 0 | 111.9 | ||||
| 293 | S | 28.3 | Very low | 33 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | -18.2 | 156.9 | 162.5 | -42.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 294 | Q | 31.3 | Very low | 32.8 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | cis | -169.9 | 149.7 | 39.1 | -147 | 154.9 | 33.6 | 0 | 0 | 114.1 | ||||
| 295 | S | 28.2 | Very low | 32.2 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 14.7 | 133.1 | 153.1 | -47.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 296 | I | 31.3 | Very low | 31.9 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | -174.5 | 162 | 104.2 | -93.8 | 163.4 | 0 | 0 | 0 | 110.6 | |||||
| 297 | S | 26.5 | Very low | 31.2 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | trans | -115.8 | 171.8 | -165.9 | 48.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 298 | E | 26.6 | Very low | 31.2 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 81.6 | 158.9 | 149.3 | -75.6 | 152.4 | 123.3 | 0 | 0 | 122.7 | ||||
| 299 | A | 29.5 | Very low | 30.8 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 68.5 | 60.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 120 | D301 | A299-D301 VanDerWaalsContact C-N 3.31Å; A299-D301 PolarHBondContact O-N 3.27Å; A299-D301 VanDerWaalsContact O-N 3.16Å | ||
| 300 | L | 27.1 | Very low | 30.3 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 98% | 0.979 | 78% | 0.775 | S | S | * | * | trans | -75.1 | 85.8 | 145.8 | -80.5 | 175.8 | 0 | 0 | 0 | 109.4 | ||||
| 301 | D | 29 | Very low | 30.1 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -144.7 | 133.4 | 178.8 | -153 | 23.1 | 0 | 0 | 0 | 114 | A299 | A299-D301 VanDerWaalsContact C-N 3.31Å; A299-D301 PolarHBondContact O-N 3.27Å; A299-D301 VanDerWaalsContact O-N 3.16Å | ||
| 302 | N | 27.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 142 Ų | 142 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | trans | 41.5 | 106.5 | 162.7 | -65.1 | -55.2 | 0 | 0 | 0 | 121 | ||||
| 303 | N | 31.8 | Very low | 29.5 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -152.7 | 103.2 | 132.7 | -120.7 | -46.2 | 0 | 0 | 0 | 114.6 | N305 | N303-N305 PolarHBondContact O-N 3.09Å; N303-N305 VanDerWaalsContact O-N 3.17Å; N303-N305 PolarHBondContact OD1-ND2 3.36Å | ||
| 304 | N | 28.9 | Very low | 29.6 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -83.2 | 79.8 | 173.4 | -92 | -63.5 | 0 | 0 | 0 | 111 | ||||
| 305 | N | 29.5 | Very low | 29.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | trans | -121.2 | 79.7 | 176.3 | -79.2 | -39.8 | 0 | 0 | 0 | 112 | N303 | N303-N305 PolarHBondContact O-N 3.09Å; N303-N305 VanDerWaalsContact O-N 3.17Å; N303-N305 PolarHBondContact OD1-ND2 3.36Å | ||
| 306 | N | 31.6 | Very low | 29.9 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | -133.5 | 44.5 | 170.8 | -92.5 | -46.4 | 0 | 0 | 0 | 112.1 | S308 | N306-S308 VanDerWaalsContact C-N 3.3Å; N306-S308 PolarHBondContact O-N 3.34Å | ||
| 307 | N | 29.4 | Very low | 29.9 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -81.7 | 76.8 | 161.4 | -81.7 | -18.7 | 0 | 0 | 0 | 109.2 | I309 | N307-I309 PolarHBondContact O-N 3.13Š| ||
| 308 | S | 33.9 | Very low | 30.2 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 117.8 | 164.3 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | N306 | N306-S308 VanDerWaalsContact C-N 3.3Å; N306-S308 PolarHBondContact O-N 3.34Å |
| 309 | I | 32.9 | Very low | 30.3 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 135.9 | -173.1 | -69.3 | 174.6 | 0 | 0 | 0 | 109.7 | N307 C311 | N307-I309 PolarHBondContact O-N 3.13Å; I309-C311 PolarHBondContact O-N 3.41Å |
| 310 | Y | 27.6 | Very low | 30.4 | Very low | 221 Ų | 221 | 141.1 Ų | 141.1 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120.3 | 169.3 | -101.4 | -107.8 | 0 | 0 | 0 | 110.6 | ||
| 311 | C | 30.7 | Very low | 30.5 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -119.8 | 108.2 | 163.2 | -70.9 | 0 | 0 | 0 | 0 | 108.7 | I309 | I309-C311 PolarHBondContact O-N 3.41Š| ||
| 312 | M | 26.8 | Very low | 30.7 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | -104.9 | 133.9 | 164.8 | -88.8 | -71.6 | -66.2 | 0 | 0 | 108 | ||||
| 313 | G | 30.6 | Very low | 30.9 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -133.3 | 142.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 314 | Y | 30.5 | Very low | 30.7 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -105.8 | -171.5 | -170.1 | -78.9 | -86.5 | 0 | 0 | 0 | 112.7 | ||||
| 315 | M | 34.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | 90.4 | 109.2 | -179.8 | -52.5 | -65.1 | 99.6 | 0 | 0 | 112.4 | ||||
| 316 | N | 31.6 | Very low | 30.2 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | 77.8 | 146.3 | 60.9 | -64.1 | 3.5 | 0 | 0 | 0 | 110.9 | |||||
| 317 | D | 31.2 | Very low | 29.9 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | cis | -153.5 | 176.5 | -0.5 | 32.8 | -98.4 | 0 | 0 | 0 | 109.8 | ||||
| 318 | G | 33.1 | Very low | 29.9 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 150.2 | 103.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 319 | S | 28.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -45.6 | 140.9 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 320 | L | 30.6 | Very low | 29.3 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | -164.2 | 165.9 | 111.1 | -103.7 | 168.1 | 0 | 0 | 0 | 111.9 | |||||
| 321 | T | 30 | Very low | 29.4 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -123.7 | 163.6 | -161.5 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 322 | M | 32.3 | Very low | 29.3 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | 94.8 | 105.6 | 162.5 | -59.4 | -75.8 | 95.9 | 0 | 0 | 120 | ||||
| 323 | K | 32.5 | Very low | 29.3 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | 70.6 | 99.2 | 127 | -65.4 | 169.6 | 177.4 | 158.9 | 0 | 120.5 | |||||
| 324 | N | 26.9 | Very low | 29.2 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 71.1 | 161.9 | 134.7 | -62.9 | 6.4 | 0 | 0 | 0 | 119.6 | ||||
| 325 | S | 24.7 | Very low | 29.1 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | 80.5 | 97.6 | 173.5 | -47.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 326 | S | 24.7 | Very low | 29 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 57.4 | 119 | 137.1 | -54.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 327 | S | 24.5 | Very low | 29.2 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | 62.1 | 106.2 | 142.8 | -179.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 328 | F | 28.7 | Very low | 29.4 | Very low | 213 Ų | 213 | 137.4 Ų | 137.4 | 93% | 0.934 | 76% | 0.756 | S | S | * | * | -139 | 151.7 | 128 | -117.4 | -82.3 | 0 | 0 | 0 | 111.2 | |||||
| 329 | I | 26.5 | Very low | 29.5 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -105.7 | 144.1 | -169.5 | -66.7 | 167.6 | 0 | 0 | 0 | 110 | ||||
| 330 | Y | 28.4 | Very low | 29.7 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | trans | -133.8 | 134.8 | 141 | -102.8 | -83.2 | 0 | 0 | 0 | 109.9 | ||||
| 331 | P | 30.1 | Very low | 29.9 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 62% | 0.623 | 72% | 0.722 | S | S | * | * | trans | -105.6 | 158.3 | -171.8 | 39.3 | -33.3 | 0 | 0 | 0 | 113.5 | ||||
| 332 | E | 27.5 | Very low | 30.4 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | 173.1 | 172 | 126.4 | -97.2 | -175.7 | -176.8 | 0 | 0 | 111.8 | |||||
| 333 | L | 27.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | trans | 63.3 | 55.1 | 169.6 | -54.8 | -178.3 | 0 | 0 | 0 | 118 | ||||
| 334 | C | 27.5 | Very low | 31.4 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | trans | -138.5 | 85.8 | 157.8 | -88.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 335 | P | 28.7 | Very low | 32.4 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | trans | -77.6 | 170.3 | 171.4 | 37.8 | -37.8 | 0 | 0 | 0 | 111.4 | Q337 | P335-Q337 PolarHBondContact O-N 3.1Š| ||
| 336 | N | 32.5 | Very low | 33.7 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 52% | 0.519 | 64% | 0.642 | S | S | . | * | trans | 75.7 | 3.3 | 169.3 | -50 | 42 | 0 | 0 | 0 | 119.2 | H338 E339 F340 | N336-H338 PolarHBondContact O-N 2.95Å; N336-E339 VanDerWaalsContact CG-OE2 3.28Å; N336-E339 PolarHBondContact ND2-OE2 2.89Å; N336-E339 PolarHBondContact O-N 3.02Å; N336-F340 PolarHBondContact O-N 3.47Å | ||
| 337 | Q | 36 | Very low | 34.6 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.9 | -22.6 | 167.4 | -80.3 | -146.7 | 3.2 | 0 | 0 | 113.8 | P335 | P335-Q337 PolarHBondContact O-N 3.1Å |
| 338 | H | 35.2 | Very low | 35.8 | Very low | 154 Ų | 154 | 120.8 Ų | 120.8 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.7 | -46 | 175.1 | -163.1 | -76.4 | 0 | 0 | 0 | 111.7 | N336 F340 K341 S342 | N336-H338 PolarHBondContact O-N 2.95Å; H338-F340 VanDerWaalsContact C-N 3.3Å; H338-F340 PolarHBondContact O-N 3.04Å; H338-K341 PolarHBondContact O-N 3.03Å; H338-S342 PolarHBondContact O-N 3.24Å; H338-S342 PolarHBondContact O-OG 3.05Å |
| 339 | E | 35.3 | Very low | 37.1 | Very low | 121 Ų | 121 | 113.9 Ų | 113.9 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59 | -39.5 | 179.3 | -64.7 | -175.2 | 152.8 | 0 | 0 | 112.4 | N336 K341 S342 S343 | N336-E339 VanDerWaalsContact CG-OE2 3.28Å; N336-E339 PolarHBondContact ND2-OE2 2.89Å; N336-E339 PolarHBondContact O-N 3.02Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 3.43Å; E339-S342 PolarHBondContact O-N 2.55Å; E339-S343 WeakPolarHBondContact O-CB 3.37Å; E339-S343 PolarHBondContact O-N 3.34Å |
| 340 | F | 33.3 | Very low | 38.4 | Very low | 132 Ų | 132 | 112.5 Ų | 112.5 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.7 | -39.1 | 179.5 | -163.1 | -104.2 | 0 | 0 | 0 | 112.1 | N336 H338 S343 I344 | N336-F340 PolarHBondContact O-N 3.47Å; H338-F340 VanDerWaalsContact C-N 3.3Å; H338-F340 PolarHBondContact O-N 3.04Å; F340-S343 PolarHBondContact O-N 3.28Å; F340-I344 HydrophobicContact CD1-CD1 3.9Å; F340-I344 HydrophobicContact CE1-CD1 3.61Å; F340-I344 HydrophobicContact CZ-CD1 4.3Å; F340-I344 WeakPolarHBondContact O-CG1 3.31Å; F340-I344 PolarHBondContact O-N 3.36Å; F340-I344 VanDerWaalsContact O-N 3.07Å |
| 341 | K | 35.3 | Very low | 39.8 | Very low | 147 Ų | 147 | 104.3 Ų | 104.3 | 64% | 0.639 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.1 | -42.2 | 174.3 | -69.7 | -177 | 176.5 | -177 | 0 | 111.9 | H338 E339 S343 I344 S345 | H338-K341 PolarHBondContact O-N 3.03Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 3.43Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.19Å; K341-I344 PolarHBondContact O-N 3.36Å; K341-S345 PolarHBondContact O-N 3.26Å |
| 342 | S | 39.6 | Very low | 40.8 | Very low | 61 Ų | 61 | 102.2 Ų | 102.2 | 43% | 0.427 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 173.4 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | H338 E339 S345 S346 | H338-S342 PolarHBondContact O-N 3.24Å; H338-S342 PolarHBondContact O-OG 3.05Å; E339-S342 PolarHBondContact O-N 2.55Å; S342-S345 PolarHBondContact O-N 3.17Å; S342-S346 WeakPolarHBondContact O-CB 3.34Å; S342-S346 PolarHBondContact O-N 3.05Å |
| 343 | S | 40.8 | Very low | 42.3 | Very low | 78 Ų | 78 | 99 Ų | 99 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | E339 F340 K341 Y347 | E339-S343 WeakPolarHBondContact O-CB 3.37Å; E339-S343 PolarHBondContact O-N 3.34Å; F340-S343 PolarHBondContact O-N 3.28Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.19Å; S343-Y347 WeakPolarHBondContact O-CB 3.47Å; S343-Y347 PolarHBondContact O-N 3.47Å |
| 344 | I | 44.8 | Very low | 43.7 | Very low | 55 Ų | 55 | 95.1 Ų | 95.1 | 28% | 0.282 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 173.7 | -70.9 | 171.3 | 0 | 0 | 0 | 110.5 | F340 K341 Y347 L348 | F340-I344 HydrophobicContact CD1-CD1 3.9Å; F340-I344 HydrophobicContact CE1-CD1 3.61Å; F340-I344 HydrophobicContact CZ-CD1 4.3Å; F340-I344 WeakPolarHBondContact O-CG1 3.31Å; F340-I344 PolarHBondContact O-N 3.36Å; F340-I344 VanDerWaalsContact O-N 3.07Å; K341-I344 PolarHBondContact O-N 3.36Å; I344-Y347 PolarHBondContact O-N 3.29Å; I344-L348 HydrophobicContact CG2-CD1 4.01Å; I344-L348 WeakPolarHBondContact O-CG 3.43Å; I344-L348 PolarHBondContact O-N 2.68Å |
| 345 | S | 48.5 | Very low | 45.2 | Very low | 47 Ų | 47 | 93.7 Ų | 93.7 | 33% | 0.329 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.7 | -57.2 | 173.1 | -163.3 | 0 | 0 | 0 | 0 | 110 | K341 S342 Y347 L348 D349 | K341-S345 PolarHBondContact O-N 3.26Å; S342-S345 PolarHBondContact O-N 3.17Å; S345-Y347 PolarHBondContact O-N 3.08Å; S345-Y347 VanDerWaalsContact O-N 3.09Å; S345-L348 CarbonylContact O-C 3.58Å; S345-L348 WeakPolarHBondContact O-CA 3.43Å; S345-L348 PolarHBondContact O-N 2.91Å; S345-D349 WeakPolarHBondContact O-CB 3.3Å; S345-D349 PolarHBondContact O-N 3.44Å; S345-D349 PolarHBondContact OG-OD2 2.67Å |
| 346 | S | 51.2 | Low | 46.6 | Very low | 62 Ų | 62 | 91.4 Ų | 91.4 | 43% | 0.434 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.2 | -35.4 | -179.8 | 173.6 | 0 | 0 | 0 | 0 | 113.5 | S342 N350 | S342-S346 WeakPolarHBondContact O-CB 3.34Å; S342-S346 PolarHBondContact O-N 3.05Å; S346-N350 VanDerWaalsContact O-CB 3.31Å; S346-N350 WeakPolarHBondContact O-CB 3.12Å; S346-N350 PolarHBondContact O-N 3.41Å; S346-N350 PolarHBondContact O-ND2 3.44Å |
| 347 | Y | 44.1 | Very low | 47.4 | Very low | 158 Ų | 158 | 91.1 Ų | 91.1 | 62% | 0.62 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.6 | -42.5 | 175.2 | -175.1 | -111.3 | 0 | 0 | 0 | 112.6 | S343 I344 S345 N350 I351 | S343-Y347 WeakPolarHBondContact O-CB 3.47Å; S343-Y347 PolarHBondContact O-N 3.47Å; I344-Y347 PolarHBondContact O-N 3.29Å; S345-Y347 PolarHBondContact O-N 3.08Å; S345-Y347 VanDerWaalsContact O-N 3.09Å; Y347-N350 PolarHBondContact O-N 3.34Å; Y347-I351 HydrophobicContact CD1-CD1 3.93Å; Y347-I351 HydrophobicContact CE1-CD1 3.57Å; Y347-I351 HydrophobicContact CE2-CD1 4.49Å; Y347-I351 WeakPolarHBondContact O-CG1 3.27Å; Y347-I351 PolarHBondContact O-N 3.15Å |
| 348 | L | 50.5 | Low | 48 | Very low | 50 Ų | 50 | 87.9 Ų | 87.9 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.1 | -36.7 | 175.4 | -66.8 | 172.7 | 0 | 0 | 0 | 112.5 | I344 S345 I351 Y352 N391 | I344-L348 HydrophobicContact CG2-CD1 4.01Å; I344-L348 WeakPolarHBondContact O-CG 3.43Å; I344-L348 PolarHBondContact O-N 2.68Å; S345-L348 CarbonylContact O-C 3.58Å; S345-L348 WeakPolarHBondContact O-CA 3.43Å; S345-L348 PolarHBondContact O-N 2.91Å; L348-I351 PolarHBondContact O-N 3.17Å; L348-Y352 PolarHBondContact O-N 3.3Å; L348-N391 HydrophobicContact CD1-CB 3.92Å |
| 349 | D | 55.8 | Low | 48.6 | Very low | 68 Ų | 68 | 84 Ų | 84 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 175.9 | -62.2 | -44.6 | 0 | 0 | 0 | 110 | S345 Y352 E353 | S345-D349 WeakPolarHBondContact O-CB 3.3Å; S345-D349 PolarHBondContact O-N 3.44Å; S345-D349 PolarHBondContact OG-OD2 2.67Å; D349-Y352 WeakPolarHBondContact O-CB 3.38Å; D349-Y352 PolarHBondContact O-N 3.26Å; D349-E353 PolarHBondContact O-N 2.66Å |
| 350 | N | 52.5 | Low | 49.3 | Very low | 94 Ų | 94 | 85.1 Ų | 85.1 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.8 | -34.5 | 171.2 | -77.1 | -31.3 | 0 | 0 | 0 | 113.4 | S346 Y347 T354 | S346-N350 VanDerWaalsContact O-CB 3.31Å; S346-N350 WeakPolarHBondContact O-CB 3.12Å; S346-N350 PolarHBondContact O-N 3.41Å; S346-N350 PolarHBondContact O-ND2 3.44Å; Y347-N350 PolarHBondContact O-N 3.34Å; N350-T354 WeakPolarHBondContact O-CB 3.47Å; N350-T354 WeakPolarHBondContact O-CG2 3.44Å; N350-T354 PolarHBondContact O-N 3.09Å; N350-T354 PolarHBondContact O-OG1 3.19Å |
| 351 | I | 58.7 | Low | 49.9 | Very low | 62 Ų | 62 | 83.4 Ų | 83.4 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 172.4 | -71.8 | 165.7 | 0 | 0 | 0 | 110.3 | Y347 L348 T354 W355 | Y347-I351 HydrophobicContact CD1-CD1 3.93Å; Y347-I351 HydrophobicContact CE1-CD1 3.57Å; Y347-I351 HydrophobicContact CE2-CD1 4.49Å; Y347-I351 WeakPolarHBondContact O-CG1 3.27Å; Y347-I351 PolarHBondContact O-N 3.15Å; L348-I351 PolarHBondContact O-N 3.17Å; I351-T354 WeakPolarHBondContact CA-OG1 3.22Å; I351-T354 PolarHBondContact O-OG1 2.98Å; I351-W355 VanDerWaalsContact O-CB 3.22Å; I351-W355 WeakPolarHBondContact O-CB 3.06Å; I351-W355 PolarHBondContact O-N 3.07Å |
| 352 | Y | 51.4 | Low | 50 | Low | 52 Ų | 52 | 80.8 Ų | 80.8 | 20% | 0.204 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 173.9 | -106.7 | -76.3 | 0 | 0 | 0 | 112.6 | L348 D349 W355 N356 H398 | L348-Y352 PolarHBondContact O-N 3.3Å; D349-Y352 WeakPolarHBondContact O-CB 3.38Å; D349-Y352 PolarHBondContact O-N 3.26Å; Y352-W355 PolarHBondContact O-N 3.16Å; Y352-N356 VanDerWaalsContact O-CB 3.27Å; Y352-N356 WeakPolarHBondContact O-CB 3.16Å; Y352-N356 VanDerWaalsContact O-CG 3.27Å; Y352-N356 PolarHBondContact O-N 3.41Å; Y352-N356 PolarHBondContact O-ND2 2.66Å; Y352-H398 AromaticContact CE1-NE2 3.78Å; Y352-H398 AromaticContact CZ-CD2 3.96Å; Y352-H398 WeakPolarHBondContact OH-CB 3.42Å; Y352-H398 PolarHBondContact OH-CD2 2.89Å; Y352-H398 PolarHBondContact OH-ND1 3.49Å; Y352-H398 PolarHBondContact OH-NE2 3.34Å |
| 353 | E | 58.9 | Low | 49.9 | Very low | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 177.3 | -78.1 | -60.2 | 155.2 | 0 | 0 | 111.7 | D349 W355 N356 I357 | D349-E353 PolarHBondContact O-N 2.66Å; E353-W355 PolarHBondContact O-N 2.99Å; E353-N356 PolarHBondContact O-N 3.26Å; E353-I357 WeakPolarHBondContact O-CB 3.12Å; E353-I357 WeakPolarHBondContact O-CD1 3.47Å; E353-I357 WeakPolarHBondContact O-CG1 3.44Å; E353-I357 PolarHBondContact O-N 2.79Å |
| 354 | T | 56.4 | Low | 49.5 | Very low | 77 Ų | 77 | 88.9 Ų | 88.9 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.5 | 46.9 | 0 | 0 | 0 | 0 | 112.3 | N350 I351 I357 I358 | N350-T354 WeakPolarHBondContact O-CB 3.47Å; N350-T354 WeakPolarHBondContact O-CG2 3.44Å; N350-T354 PolarHBondContact O-N 3.09Å; N350-T354 PolarHBondContact O-OG1 3.19Å; I351-T354 WeakPolarHBondContact CA-OG1 3.22Å; I351-T354 PolarHBondContact O-OG1 2.98Å; T354-I357 PolarHBondContact O-N 3.31Å; T354-I358 WeakPolarHBondContact O-CB 3.42Å; T354-I358 WeakPolarHBondContact O-CD1 3.44Å; T354-I358 WeakPolarHBondContact O-CG1 3.41Å; T354-I358 PolarHBondContact O-N 2.88Å |
| 355 | W | 60.6 | Low | 48.8 | Very low | 88 Ų | 88 | 94.3 Ų | 94.3 | 33% | 0.333 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 173.7 | -171.6 | 87.2 | 0 | 0 | 0 | 112.8 | I351 Y352 E353 I358 N359 F399 | I351-W355 VanDerWaalsContact O-CB 3.22Å; I351-W355 WeakPolarHBondContact O-CB 3.06Å; I351-W355 PolarHBondContact O-N 3.07Å; Y352-W355 PolarHBondContact O-N 3.16Å; E353-W355 PolarHBondContact O-N 2.99Å; W355-I358 PolarHBondContact O-N 3.03Å; W355-N359 VanDerWaalsContact CE3-ND2 3.31Å; W355-N359 WeakPolarHBondContact CH2-ND2 3.39Å; W355-N359 WeakPolarHBondContact CZ2-ND2 3.41Å; W355-N359 VanDerWaalsContact CZ3-ND2 3.31Å; W355-N359 WeakPolarHBondContact CZ3-ND2 3.29Å; W355-N359 WeakPolarHBondContact O-CB 3.32Å; W355-N359 PolarHBondContact O-N 3.28Å; W355-N359 PolarHBondContact O-ND2 3.47Å; W355-F399 HydrophobicContact CZ2-CE1 4.2Å |
| 356 | N | 56.6 | Low | 48 | Very low | 56 Ų | 56 | 96.7 Ų | 96.7 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 174.5 | -80.2 | -18.7 | 0 | 0 | 0 | 112.2 | Y352 E353 Q360 | Y352-N356 VanDerWaalsContact O-CB 3.27Å; Y352-N356 WeakPolarHBondContact O-CB 3.16Å; Y352-N356 VanDerWaalsContact O-CG 3.27Å; Y352-N356 PolarHBondContact O-N 3.41Å; Y352-N356 PolarHBondContact O-ND2 2.66Å; E353-N356 PolarHBondContact O-N 3.26Å; N356-Q360 WeakPolarHBondContact O-CB 3.4Å; N356-Q360 VanDerWaalsContact O-CG 3.29Å; N356-Q360 WeakPolarHBondContact O-CG 3.27Å; N356-Q360 PolarHBondContact O-N 2.89Å; N356-Q360 PolarHBondContact O-NE2 3.42Å |
| 357 | I | 50.9 | Low | 47.1 | Very low | 91 Ų | 91 | 99.8 Ų | 99.8 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -50.1 | 175.4 | -71.4 | 162.6 | 0 | 0 | 0 | 109.2 | E353 T354 N359 Q360 T361 | E353-I357 WeakPolarHBondContact O-CB 3.12Å; E353-I357 WeakPolarHBondContact O-CD1 3.47Å; E353-I357 WeakPolarHBondContact O-CG1 3.44Å; E353-I357 PolarHBondContact O-N 2.79Å; T354-I357 PolarHBondContact O-N 3.31Å; I357-N359 VanDerWaalsContact C-N 3.3Å; I357-N359 PolarHBondContact O-N 2.87Å; I357-Q360 PolarHBondContact O-N 3.04Å; I357-Q360 VanDerWaalsContact O-N 3.13Å; I357-T361 HydrophobicContact CG2-CG2 4.3Å; I357-T361 WeakPolarHBondContact O-CG2 3.4Å; I357-T361 PolarHBondContact O-N 3.21Å; I357-T361 PolarHBondContact O-OG1 2.98Å; I357-T361 VanDerWaalsContact O-OG1 3.04Å |
| 358 | I | 48.6 | Very low | 46.9 | Very low | 85 Ų | 85 | 101.2 Ų | 101.2 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.1 | -43.2 | 177.4 | -72.5 | 165.3 | 0 | 0 | 0 | 111.3 | T354 W355 T361 N362 | T354-I358 WeakPolarHBondContact O-CB 3.42Å; T354-I358 WeakPolarHBondContact O-CD1 3.44Å; T354-I358 WeakPolarHBondContact O-CG1 3.41Å; T354-I358 PolarHBondContact O-N 2.88Å; W355-I358 PolarHBondContact O-N 3.03Å; I358-T361 PolarHBondContact O-OG1 2.93Å; I358-N362 WeakPolarHBondContact O-CB 3.26Å; I358-N362 PolarHBondContact O-N 3.26Å; I358-N362 VanDerWaalsContact O-N 3.12Å; I358-N362 PolarHBondContact O-ND2 3.46Å |
| 359 | N | 46.5 | Very low | 46.3 | Very low | 71 Ų | 71 | 103.7 Ų | 103.7 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.6 | -24.1 | 179.5 | -73.3 | -28.2 | 0 | 0 | 0 | 114.2 | W355 I357 | W355-N359 VanDerWaalsContact CE3-ND2 3.31Å; W355-N359 WeakPolarHBondContact CH2-ND2 3.39Å; W355-N359 WeakPolarHBondContact CZ2-ND2 3.41Å; W355-N359 VanDerWaalsContact CZ3-ND2 3.31Å; W355-N359 WeakPolarHBondContact CZ3-ND2 3.29Å; W355-N359 WeakPolarHBondContact O-CB 3.32Å; W355-N359 PolarHBondContact O-N 3.28Å; W355-N359 PolarHBondContact O-ND2 3.47Å; I357-N359 VanDerWaalsContact C-N 3.3Å; I357-N359 PolarHBondContact O-N 2.87Å |
| 360 | Q | 50.8 | Low | 46 | Very low | 146 Ų | 146 | 106.3 Ų | 106.3 | 68% | 0.682 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -82.1 | -31.8 | 173.6 | -76.2 | 170.7 | 96.4 | 0 | 0 | 112.5 | N356 I357 | N356-Q360 WeakPolarHBondContact O-CB 3.4Å; N356-Q360 VanDerWaalsContact O-CG 3.29Å; N356-Q360 WeakPolarHBondContact O-CG 3.27Å; N356-Q360 PolarHBondContact O-N 2.89Å; N356-Q360 PolarHBondContact O-NE2 3.42Å; I357-Q360 PolarHBondContact O-N 3.04Å; I357-Q360 VanDerWaalsContact O-N 3.13Å |
| 361 | T | 44.5 | Very low | 45.9 | Very low | 95 Ų | 95 | 106.7 Ų | 106.7 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.4 | -28.7 | 178.4 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | I357 I358 Y363 | I357-T361 HydrophobicContact CG2-CG2 4.3Å; I357-T361 WeakPolarHBondContact O-CG2 3.4Å; I357-T361 PolarHBondContact O-N 3.21Å; I357-T361 PolarHBondContact O-OG1 2.98Å; I357-T361 VanDerWaalsContact O-OG1 3.04Å; I358-T361 PolarHBondContact O-OG1 2.93Å; T361-Y363 VanDerWaalsContact C-N 3.27Å; T361-Y363 PolarHBondContact O-N 3.14Å |
| 362 | N | 38.3 | Very low | 45.8 | Very low | 93 Ų | 93 | 110.4 Ų | 110.4 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | 12.5 | -178.5 | -75.5 | -68.7 | 0 | 0 | 0 | 115.3 | I358 S364 | I358-N362 WeakPolarHBondContact O-CB 3.26Å; I358-N362 PolarHBondContact O-N 3.26Å; I358-N362 VanDerWaalsContact O-N 3.12Å; I358-N362 PolarHBondContact O-ND2 3.46Å; N362-S364 PolarHBondContact O-N 3.26Å |
| 363 | Y | 36.8 | Very low | 46 | Very low | 213 Ų | 213 | 111.7 Ų | 111.7 | 84% | 0.835 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -81.8 | 41.7 | 169.2 | -112.7 | -83 | 0 | 0 | 0 | 112.7 | T361 | T361-Y363 VanDerWaalsContact C-N 3.27Å; T361-Y363 PolarHBondContact O-N 3.14Å |
| 364 | S | 33.5 | Very low | 45.9 | Very low | 96 Ų | 96 | 112 Ų | 112 | 67% | 0.671 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -161.3 | 94.3 | 174.3 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | N362 S366 | N362-S364 PolarHBondContact O-N 3.26Å; S364-S366 PolarHBondContact O-N 3.02Å |
| 365 | D | 28.5 | Very low | 45.9 | Very low | 169 Ų | 169 | 111.1 Ų | 111.1 | 90% | 0.904 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 30.9 | 67.3 | 159.6 | -65.3 | -22.8 | 0 | 0 | 0 | 118.8 | ||
| 366 | S | 33.6 | Very low | 45.9 | Very low | 96 Ų | 96 | 113 Ų | 113 | 67% | 0.671 | 61% | 0.607 | S | S | * | * | trans | -152.1 | 101.9 | 154.7 | -74.4 | 0 | 0 | 0 | 0 | 111.6 | S364 Q368 | S364-S366 PolarHBondContact O-N 3.02Å; S366-Q368 PolarHBondContact O-N 2.96Å | ||
| 367 | S | 30.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 114 Ų | 114 | 90% | 0.895 | 62% | 0.618 | S | S | * | * | trans | -79.1 | 100.2 | 178.1 | 57.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 368 | Q | 39.8 | Very low | 46.3 | Very low | 188 Ų | 188 | 114.4 Ų | 114.4 | 88% | 0.879 | 62% | 0.621 | S | S | * | * | trans | -118.5 | 109.4 | 155.4 | -73.5 | -169 | -31.7 | 0 | 0 | 108.6 | S366 | S366-Q368 PolarHBondContact O-N 2.96Š| ||
| 369 | S | 38.5 | Very low | 46.9 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 133 | 173.3 | 45.5 | 0 | 0 | 0 | 0 | 110.2 | D371 | S369-D371 PolarHBondContact O-N 3.42Š|
| 370 | L | 49.1 | Very low | 47.6 | Very low | 122 Ų | 122 | 116.6 Ų | 116.6 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.4 | 151.6 | -82.5 | 86.3 | 0 | 0 | 0 | 107.3 | E372 | L370-E372 PolarHBondContact O-N 2.91Š|
| 371 | D | 51.5 | Low | 47.9 | Very low | 103 Ų | 103 | 114.3 Ų | 114.3 | 55% | 0.551 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134.2 | -178.8 | -88.4 | -29.9 | 0 | 0 | 0 | 110.4 | S369 S373 E374 | S369-D371 PolarHBondContact O-N 3.42Å; D371-S373 PolarHBondContact O-N 3.47Å; D371-E374 PolarHBondContact O-N 3.09Å |
| 372 | E | 55.8 | Low | 48.4 | Very low | 140 Ų | 140 | 112.1 Ų | 112.1 | 65% | 0.654 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -56.4 | -26.7 | -178.2 | -162.5 | 170.9 | -150.8 | 0 | 0 | 111.6 | L370 Q376 | L370-E372 PolarHBondContact O-N 2.91Å; E372-Q376 WeakPolarHBondContact O-CB 3.47Å; E372-Q376 PolarHBondContact O-N 3.38Å |
| 373 | S | 56.7 | Low | 49.1 | Very low | 78 Ų | 78 | 112 Ų | 112 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.9 | -35.3 | 174.4 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | D371 Q376 S377 | D371-S373 PolarHBondContact O-N 3.47Å; S373-Q376 WeakPolarHBondContact O-CB 3.28Å; S373-Q376 PolarHBondContact O-N 3.43Å; S373-S377 WeakPolarHBondContact O-CB 3.44Å; S373-S377 PolarHBondContact O-N 3.35Å |
| 374 | E | 56.8 | Low | 50.1 | Low | 115 Ų | 115 | 106.8 Ų | 106.8 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.7 | -41.7 | 177.6 | -64.9 | -161 | 135.3 | 0 | 0 | 110.9 | D371 Q376 S377 L378 | D371-E374 PolarHBondContact O-N 3.09Å; E374-Q376 VanDerWaalsContact C-N 3.34Å; E374-S377 PolarHBondContact O-N 2.91Å; E374-L378 WeakPolarHBondContact O-CB 3.41Å; E374-L378 WeakPolarHBondContact O-CG 3.48Å; E374-L378 PolarHBondContact O-N 2.9Å |
| 375 | L | 55.9 | Low | 50.7 | Low | 58 Ų | 58 | 107 Ų | 107 | 30% | 0.304 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.2 | -38.6 | 173.3 | -73.5 | 167.7 | 0 | 0 | 0 | 111.7 | T379 L406 | L375-T379 VanDerWaalsContact O-CB 3.24Å; L375-T379 WeakPolarHBondContact O-CB 3.45Å; L375-T379 PolarHBondContact O-N 2.76Å; L375-T379 PolarHBondContact O-OG1 3.44Å; L375-L406 HydrophobicContact CD1-CD1 4.3Å |
| 376 | Q | 60.7 | Low | 51.4 | Low | 128 Ų | 128 | 106.5 Ų | 106.5 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61 | -44.6 | 171.3 | -129.2 | 72.7 | -8.2 | 0 | 0 | 111.6 | E372 S373 E374 T379 Y380 | E372-Q376 WeakPolarHBondContact O-CB 3.47Å; E372-Q376 PolarHBondContact O-N 3.38Å; S373-Q376 WeakPolarHBondContact O-CB 3.28Å; S373-Q376 PolarHBondContact O-N 3.43Å; E374-Q376 VanDerWaalsContact C-N 3.34Å; Q376-T379 PolarHBondContact O-N 3.32Å; Q376-Y380 PolarHBondContact O-N 3.2Å |
| 377 | S | 63.7 | Low | 52 | Low | 78 Ų | 78 | 109.9 Ų | 109.9 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.8 | -45.3 | -178.6 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | S373 E374 T379 Y380 L381 | S373-S377 WeakPolarHBondContact O-CB 3.44Å; S373-S377 PolarHBondContact O-N 3.35Å; E374-S377 PolarHBondContact O-N 2.91Å; S377-T379 VanDerWaalsContact C-N 3.34Å; S377-T379 PolarHBondContact O-N 3.28Å; S377-Y380 WeakPolarHBondContact O-CB 3.34Å; S377-Y380 PolarHBondContact O-N 3.06Å; S377-L381 PolarHBondContact O-N 2.86Å |
| 378 | L | 51.8 | Low | 52.6 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.1 | -42.9 | 171.5 | -75.8 | 167.5 | 0 | 0 | 0 | 111.7 | E374 Y380 L381 I382 | E374-L378 WeakPolarHBondContact O-CB 3.41Å; E374-L378 WeakPolarHBondContact O-CG 3.48Å; E374-L378 PolarHBondContact O-N 2.9Å; L378-Y380 VanDerWaalsContact C-N 3.32Å; L378-Y380 PolarHBondContact O-N 3.47Å; L378-L381 PolarHBondContact O-N 3Å; L378-I382 WeakPolarHBondContact O-CB 3.39Å; L378-I382 WeakPolarHBondContact O-CD1 3.21Å; L378-I382 VanDerWaalsContact O-CG1 3.25Å; L378-I382 WeakPolarHBondContact O-CG1 3.5Å; L378-I382 PolarHBondContact O-N 2.86Å |
| 379 | T | 61.3 | Low | 53.1 | Low | 46 Ų | 46 | 107.8 Ų | 107.8 | 28% | 0.282 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 112 | L375 Q376 S377 N383 | L375-T379 VanDerWaalsContact O-CB 3.24Å; L375-T379 WeakPolarHBondContact O-CB 3.45Å; L375-T379 PolarHBondContact O-N 2.76Å; L375-T379 PolarHBondContact O-OG1 3.44Å; Q376-T379 PolarHBondContact O-N 3.32Å; S377-T379 VanDerWaalsContact C-N 3.34Å; S377-T379 PolarHBondContact O-N 3.28Å; T379-N383 PolarHBondContact O-N 3.21Å; T379-N383 PolarHBondContact O-ND2 3.4Å |
| 380 | Y | 60.4 | Low | 53.7 | Low | 155 Ų | 155 | 109 Ų | 109 | 61% | 0.608 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -49.5 | 171.5 | -174.6 | -92.7 | 0 | 0 | 0 | 111.1 | Q376 S377 L378 I382 N383 E384 | Q376-Y380 PolarHBondContact O-N 3.2Å; S377-Y380 WeakPolarHBondContact O-CB 3.34Å; S377-Y380 PolarHBondContact O-N 3.06Å; L378-Y380 VanDerWaalsContact C-N 3.32Å; L378-Y380 PolarHBondContact O-N 3.47Å; Y380-I382 VanDerWaalsContact C-N 3.31Å; Y380-I382 PolarHBondContact O-N 2.87Å; Y380-N383 PolarHBondContact O-N 2.71Å; Y380-N383 VanDerWaalsContact O-N 3.07Å; Y380-E384 HydrophobicContact CE1-CB 4.31Å; Y380-E384 HydrophobicContact CE1-CG 4.49Å; Y380-E384 PolarHBondContact O-N 2.78Å |
| 381 | L | 57.5 | Low | 53.7 | Low | 99 Ų | 99 | 106 Ų | 106 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | -178.7 | -148.4 | 81.1 | 0 | 0 | 0 | 112.4 | S377 L378 N383 K385 | S377-L381 PolarHBondContact O-N 2.86Å; L378-L381 PolarHBondContact O-N 3Å; L381-N383 VanDerWaalsContact C-N 3.33Å; L381-N383 PolarHBondContact O-N 2.91Å; L381-K385 WeakPolarHBondContact O-CB 3.44Å; L381-K385 WeakPolarHBondContact O-CG 3.43Å; L381-K385 PolarHBondContact O-N 3.46Å |
| 382 | I | 55.6 | Low | 53.8 | Low | 49 Ų | 49 | 103.7 Ų | 103.7 | 25% | 0.251 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.9 | -28.7 | 178.2 | -69.4 | 163.5 | 0 | 0 | 0 | 112.4 | L378 Y380 F395 | L378-I382 WeakPolarHBondContact O-CB 3.39Å; L378-I382 WeakPolarHBondContact O-CD1 3.21Å; L378-I382 VanDerWaalsContact O-CG1 3.25Å; L378-I382 WeakPolarHBondContact O-CG1 3.5Å; L378-I382 PolarHBondContact O-N 2.86Å; Y380-I382 VanDerWaalsContact C-N 3.31Å; Y380-I382 PolarHBondContact O-N 2.87Å; I382-F395 HydrophobicContact CD1-CE1 3.8Å |
| 383 | N | 53.6 | Low | 53.6 | Low | 90 Ų | 90 | 101.4 Ų | 101.4 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -93.2 | -24.4 | -179.9 | -72.2 | -56.6 | 0 | 0 | 0 | 113.7 | T379 Y380 L381 K396 | T379-N383 PolarHBondContact O-N 3.21Å; T379-N383 PolarHBondContact O-ND2 3.4Å; Y380-N383 PolarHBondContact O-N 2.71Å; Y380-N383 VanDerWaalsContact O-N 3.07Å; L381-N383 VanDerWaalsContact C-N 3.33Å; L381-N383 PolarHBondContact O-N 2.91Å; N383-K396 PolarHBondContact OD1-NZ 2.96Å |
| 384 | E | 57.2 | Low | 53.6 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.8 | -30.4 | 173.2 | -160.6 | -158 | -128.9 | 0 | 0 | 112.1 | Y380 N386 | Y380-E384 HydrophobicContact CE1-CB 4.31Å; Y380-E384 HydrophobicContact CE1-CG 4.49Å; Y380-E384 PolarHBondContact O-N 2.78Å; E384-N386 PolarHBondContact O-N 2.82Å |
| 385 | K | 46.2 | Very low | 53.5 | Low | 101 Ų | 101 | 102.7 Ų | 102.7 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | trans | -93.7 | 80.3 | -175.5 | -59.3 | -64.4 | 172.4 | -163.2 | 0 | 112.1 | L381 Y387 | L381-K385 WeakPolarHBondContact O-CB 3.44Å; L381-K385 WeakPolarHBondContact O-CG 3.43Å; L381-K385 PolarHBondContact O-N 3.46Å; K385-Y387 VanDerWaalsContact C-N 3.32Å; K385-Y387 HydrophobicContact CB-CD2 4.01Å; K385-Y387 HydrophobicContact CB-CE2 4.39Å; K385-Y387 PolarHBondContact O-N 2.87Å | ||
| 386 | N | 42 | Very low | 53.3 | Low | 157 Ų | 157 | 104.8 Ų | 104.8 | 84% | 0.84 | 51% | 0.506 | S | S | * | . | trans | -61.9 | 89 | 167 | -81.8 | -27.9 | 0 | 0 | 0 | 111.3 | E384 | E384-N386 PolarHBondContact O-N 2.82Š| ||
| 387 | Y | 46.2 | Very low | 53.1 | Low | 168 Ų | 168 | 103.8 Ų | 103.8 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | trans | -114.8 | 122.3 | 171.8 | -86.6 | -103 | 0 | 0 | 0 | 109.9 | K385 D389 | K385-Y387 VanDerWaalsContact C-N 3.32Å; K385-Y387 HydrophobicContact CB-CD2 4.01Å; K385-Y387 HydrophobicContact CB-CE2 4.39Å; K385-Y387 PolarHBondContact O-N 2.87Å; Y387-D389 PolarHBondContact O-N 2.95Å | ||
| 388 | E | 44.8 | Very low | 53 | Low | 197 Ų | 197 | 104.1 Ų | 104.1 | 92% | 0.921 | 50% | 0.497 | S | S | * | . | trans | -73.3 | 51.7 | -179.9 | -69 | -69.9 | 163.9 | 0 | 0 | 112.4 | ||||
| 389 | D | 50 | Low | 53.1 | Low | 75 Ų | 75 | 100.8 Ų | 100.8 | 40% | 0.401 | 48% | 0.479 | S | S | . | . | trans | -108.2 | 116.6 | -178.9 | -124.8 | -39.6 | 0 | 0 | 0 | 110.8 | Y387 N391 L392 L393 | Y387-D389 PolarHBondContact O-N 2.95Å; D389-N391 PolarHBondContact O-N 2.79Å; D389-L392 HydrophobicContact CB-CB 4.4Å; D389-L392 WeakPolarHBondContact O-CB 3.48Å; D389-L392 PolarHBondContact O-N 3.06Å; D389-L393 PolarHBondContact O-N 2.66Å; D389-L393 VanDerWaalsContact O-N 3.16Å | ||
| 390 | N | 51 | Low | 52.6 | Low | 126 Ų | 126 | 103.4 Ų | 103.4 | 67% | 0.674 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.8 | -25.5 | -179.5 | -71.2 | -78.4 | 0 | 0 | 0 | 112.7 | L393 R394 | N390-L393 PolarHBondContact O-N 3.04Å; N390-R394 PolarHBondContact O-N 3Å |
| 391 | N | 50 | Low | 52.3 | Low | 60 Ų | 60 | 99.5 Ų | 99.5 | 32% | 0.321 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 174.2 | -66.7 | -20.9 | 0 | 0 | 0 | 112.3 | L348 D389 R394 F395 | L348-N391 HydrophobicContact CD1-CB 3.92Å; D389-N391 PolarHBondContact O-N 2.79Å; N391-R394 WeakPolarHBondContact O-CB 3.49Å; N391-R394 PolarHBondContact O-N 2.96Å; N391-F395 PolarHBondContact O-N 2.77Å |
| 392 | L | 52.3 | Low | 52.1 | Low | 55 Ų | 55 | 98.3 Ų | 98.3 | 29% | 0.288 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.7 | -32.2 | 174.8 | -172 | 62.9 | 0 | 0 | 0 | 111.2 | D389 F395 K396 | D389-L392 HydrophobicContact CB-CB 4.4Å; D389-L392 WeakPolarHBondContact O-CB 3.48Å; D389-L392 PolarHBondContact O-N 3.06Å; L392-F395 PolarHBondContact O-N 3.39Å; L392-K396 WeakPolarHBondContact O-CB 3.5Å; L392-K396 PolarHBondContact O-N 2.91Å |
| 393 | L | 53.1 | Low | 51.8 | Low | 92 Ų | 92 | 98.7 Ų | 98.7 | 48% | 0.482 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 170 | -174.4 | 61.3 | 0 | 0 | 0 | 111.8 | D389 N390 K396 N397 | D389-L393 PolarHBondContact O-N 2.66Å; D389-L393 VanDerWaalsContact O-N 3.16Å; N390-L393 PolarHBondContact O-N 3.04Å; L393-K396 PolarHBondContact O-N 2.71Å; L393-N397 WeakPolarHBondContact O-CB 3.47Å; L393-N397 PolarHBondContact O-N 3.05Å; L393-N397 PolarHBondContact O-ND2 3.44Å |
| 394 | R | 56.6 | Low | 51.9 | Low | 166 Ų | 166 | 97.6 Ų | 97.6 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.1 | -44.5 | 172.7 | -171 | -178.3 | -178.6 | -145.8 | -0.4 | 111.5 | N390 N391 N397 H398 | N390-R394 PolarHBondContact O-N 3Å; N391-R394 WeakPolarHBondContact O-CB 3.49Å; N391-R394 PolarHBondContact O-N 2.96Å; R394-N397 PolarHBondContact O-N 2.81Å; R394-H398 WeakPolarHBondContact O-CB 3.47Å; R394-H398 PolarHBondContact O-N 2.87Å |
| 395 | F | 53.5 | Low | 51.6 | Low | 54 Ų | 54 | 100.4 Ų | 100.4 | 24% | 0.237 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -59.2 | -52.7 | 173.2 | -174.8 | -82.6 | 0 | 0 | 0 | 111.3 | I382 N391 L392 N397 H398 F399 | I382-F395 HydrophobicContact CD1-CE1 3.8Å; N391-F395 PolarHBondContact O-N 2.77Å; L392-F395 PolarHBondContact O-N 3.39Å; F395-N397 VanDerWaalsContact C-N 3.3Å; F395-N397 PolarHBondContact O-N 2.83Å; F395-H398 PolarHBondContact O-N 3.22Å; F395-H398 VanDerWaalsContact O-N 3.08Å; F395-F399 AromaticContact CD1-CD2 3.84Å; F395-F399 HydrophobicContact CD1-CD2 3.84Å; F395-F399 AromaticContact CD2-CD2 3.69Å; F395-F399 HydrophobicContact CD2-CD2 3.69Å; F395-F399 AromaticContact CD2-CE2 3.55Å; F395-F399 HydrophobicContact CD2-CE2 3.55Å; F395-F399 HydrophobicContact CE1-CB 4.43Å; F395-F399 AromaticContact CE1-CD2 3.69Å; F395-F399 HydrophobicContact CE1-CD2 3.69Å; F395-F399 HydrophobicContact CE1-CE2 4.28Å; F395-F399 HydrophobicContact CE1-CG 4.18Å; F395-F399 AromaticContact CE2-CD2 3.56Å; F395-F399 HydrophobicContact CE2-CD2 3.56Å; F395-F399 AromaticContact CE2-CE2 3.28Å; F395-F399 HydrophobicContact CE2-CE2 3.28Å; F395-F399 HydrophobicContact CE2-CZ 4.09Å; F395-F399 AromaticContact CG-CD2 3.83Å; F395-F399 HydrophobicContact CG-CD2 3.83Å; F395-F399 HydrophobicContact CG-CE2 4.17Å; F395-F399 AromaticContact CZ-CD2 3.55Å; F395-F399 HydrophobicContact CZ-CD2 3.55Å; F395-F399 AromaticContact CZ-CE2 3.68Å; F395-F399 HydrophobicContact CZ-CE2 3.68Å; F395-F399 HydrophobicContact CZ-CG 4.16Å; F395-F399 HydrophobicContact CZ-CZ 4.37Å; F395-F399 WeakPolarHBondContact O-CD2 3.41Å; F395-F399 PolarHBondContact O-N 3.47Å |
| 396 | K | 52.7 | Low | 51.4 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 44% | 0.443 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.2 | -44 | 179.2 | -166.8 | 163.4 | -171.7 | 158.8 | 0 | 111.4 | N383 L392 L393 H398 H400 | N383-K396 PolarHBondContact OD1-NZ 2.96Å; L392-K396 WeakPolarHBondContact O-CB 3.5Å; L392-K396 PolarHBondContact O-N 2.91Å; L393-K396 PolarHBondContact O-N 2.71Å; K396-H398 PolarHBondContact O-N 3.06Å; K396-H400 WeakPolarHBondContact O-CB 3.32Å; K396-H400 PolarHBondContact O-N 3.08Å |
| 397 | N | 56.9 | Low | 51.2 | Low | 106 Ų | 106 | 100.4 Ų | 100.4 | 57% | 0.567 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69 | -29.7 | 178.4 | -70.4 | -16.2 | 0 | 0 | 0 | 113.9 | L393 R394 F395 P401 | L393-N397 WeakPolarHBondContact O-CB 3.47Å; L393-N397 PolarHBondContact O-N 3.05Å; L393-N397 PolarHBondContact O-ND2 3.44Å; R394-N397 PolarHBondContact O-N 2.81Å; F395-N397 VanDerWaalsContact C-N 3.3Å; F395-N397 PolarHBondContact O-N 2.83Å; N397-P401 VanDerWaalsContact O-CD 3.3Å; N397-P401 WeakPolarHBondContact O-CD 3.36Å |
| 398 | H | 60.5 | Low | 51.1 | Low | 86 Ų | 86 | 98.8 Ų | 98.8 | 40% | 0.398 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -84.2 | -37.1 | 179.7 | -168.1 | 100.1 | 0 | 0 | 0 | 113.4 | Y352 R394 F395 K396 P401 | Y352-H398 AromaticContact CE1-NE2 3.78Å; Y352-H398 AromaticContact CZ-CD2 3.96Å; Y352-H398 WeakPolarHBondContact OH-CB 3.42Å; Y352-H398 PolarHBondContact OH-CD2 2.89Å; Y352-H398 PolarHBondContact OH-ND1 3.49Å; Y352-H398 PolarHBondContact OH-NE2 3.34Å; R394-H398 WeakPolarHBondContact O-CB 3.47Å; R394-H398 PolarHBondContact O-N 2.87Å; F395-H398 PolarHBondContact O-N 3.22Å; F395-H398 VanDerWaalsContact O-N 3.08Å; K396-H398 PolarHBondContact O-N 3.06Å; H398-P401 WeakPolarHBondContact O-CD 3.17Å |
| 399 | F | 55.1 | Low | 50.5 | Low | 29 Ų | 29 | 94.4 Ų | 94.4 | 13% | 0.127 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -86 | -23.4 | 178.9 | -74.7 | -81.1 | 0 | 0 | 0 | 113.2 | W355 F395 Q402 L403 | W355-F399 HydrophobicContact CZ2-CE1 4.2Å; F395-F399 AromaticContact CD1-CD2 3.84Å; F395-F399 HydrophobicContact CD1-CD2 3.84Å; F395-F399 AromaticContact CD2-CD2 3.69Å; F395-F399 HydrophobicContact CD2-CD2 3.69Å; F395-F399 AromaticContact CD2-CE2 3.55Å; F395-F399 HydrophobicContact CD2-CE2 3.55Å; F395-F399 HydrophobicContact CE1-CB 4.43Å; F395-F399 AromaticContact CE1-CD2 3.69Å; F395-F399 HydrophobicContact CE1-CD2 3.69Å; F395-F399 HydrophobicContact CE1-CE2 4.28Å; F395-F399 HydrophobicContact CE1-CG 4.18Å; F395-F399 AromaticContact CE2-CD2 3.56Å; F395-F399 HydrophobicContact CE2-CD2 3.56Å; F395-F399 AromaticContact CE2-CE2 3.28Å; F395-F399 HydrophobicContact CE2-CE2 3.28Å; F395-F399 HydrophobicContact CE2-CZ 4.09Å; F395-F399 AromaticContact CG-CD2 3.83Å; F395-F399 HydrophobicContact CG-CD2 3.83Å; F395-F399 HydrophobicContact CG-CE2 4.17Å; F395-F399 AromaticContact CZ-CD2 3.55Å; F395-F399 HydrophobicContact CZ-CD2 3.55Å; F395-F399 AromaticContact CZ-CE2 3.68Å; F395-F399 HydrophobicContact CZ-CE2 3.68Å; F395-F399 HydrophobicContact CZ-CG 4.16Å; F395-F399 HydrophobicContact CZ-CZ 4.37Å; F395-F399 WeakPolarHBondContact O-CD2 3.41Å; F395-F399 PolarHBondContact O-N 3.47Å; F399-Q402 VanDerWaalsContact CD1-OE1 3.23Å; F399-Q402 PolarHBondContact O-N 2.86Å; F399-L403 HydrophobicContact CB-CD1 4.13Å; F399-L403 HydrophobicContact CB-CG 4.48Å; F399-L403 WeakPolarHBondContact O-CB 3.39Å; F399-L403 WeakPolarHBondContact O-CG 3.43Å; F399-L403 PolarHBondContact O-N 3.16Å |
| 400 | H | 49.7 | Very low | 50.1 | Low | 100 Ų | 100 | 95.7 Ų | 95.7 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.5 | -39.1 | 177.9 | 177.1 | -120.2 | 0 | 0 | 0 | 114.9 | K396 Q404 | K396-H400 WeakPolarHBondContact O-CB 3.32Å; K396-H400 PolarHBondContact O-N 3.08Å; H400-Q404 PolarHBondContact CE1-NE2 2.82Å; H400-Q404 VanDerWaalsContact O-CB 3.29Å; H400-Q404 WeakPolarHBondContact O-CB 3.47Å; H400-Q404 WeakPolarHBondContact O-CG 3.42Å; H400-Q404 PolarHBondContact O-N 3.23Å |
| 401 | P | 54.2 | Low | 49.4 | Very low | 73 Ų | 73 | 96.4 Ų | 96.4 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 171.3 | -24.4 | 34.7 | 0 | 0 | 0 | 114.2 | N397 H398 Q404 | N397-P401 VanDerWaalsContact O-CD 3.3Å; N397-P401 WeakPolarHBondContact O-CD 3.36Å; H398-P401 WeakPolarHBondContact O-CD 3.17Å; P401-Q404 WeakPolarHBondContact O-CB 3.22Å |
| 402 | Q | 53.9 | Low | 48.8 | Very low | 75 Ų | 75 | 102.4 Ų | 102.4 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.2 | -46 | -179.4 | -63.5 | 170 | -5.8 | 0 | 0 | 110.7 | F399 Q404 H405 | F399-Q402 VanDerWaalsContact CD1-OE1 3.23Å; F399-Q402 PolarHBondContact O-N 2.86Å; Q402-Q404 PolarHBondContact O-N 2.77Å; Q402-H405 PolarHBondContact O-N 3.45Å |
| 403 | L | 49.1 | Very low | 48 | Very low | 56 Ų | 56 | 105.6 Ų | 105.6 | 29% | 0.293 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -27 | 172.6 | -65.9 | 170.7 | 0 | 0 | 0 | 112.3 | F399 H405 L406 M407 | F399-L403 HydrophobicContact CB-CD1 4.13Å; F399-L403 HydrophobicContact CB-CG 4.48Å; F399-L403 WeakPolarHBondContact O-CB 3.39Å; F399-L403 WeakPolarHBondContact O-CG 3.43Å; F399-L403 PolarHBondContact O-N 3.16Å; L403-H405 PolarHBondContact O-N 3.35Å; L403-L406 HydrophobicContact CD2-CD1 4.32Å; L403-L406 PolarHBondContact O-N 3.3Å; L403-L406 VanDerWaalsContact O-N 3.15Å; L403-M407 WeakPolarHBondContact O-CB 3.42Å; L403-M407 VanDerWaalsContact O-CG 3.27Å; L403-M407 WeakPolarHBondContact O-CG 3.46Å; L403-M407 PolarHBondContact O-N 3.27Å |
| 404 | Q | 54.3 | Low | 47.2 | Very low | 68 Ų | 68 | 106.4 Ų | 106.4 | 32% | 0.318 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.8 | -18.1 | 172.8 | -96.1 | -168.2 | 52.2 | 0 | 0 | 114.4 | H400 P401 Q402 K408 | H400-Q404 PolarHBondContact CE1-NE2 2.82Å; H400-Q404 VanDerWaalsContact O-CB 3.29Å; H400-Q404 WeakPolarHBondContact O-CB 3.47Å; H400-Q404 WeakPolarHBondContact O-CG 3.42Å; H400-Q404 PolarHBondContact O-N 3.23Å; P401-Q404 WeakPolarHBondContact O-CB 3.22Å; Q402-Q404 PolarHBondContact O-N 2.77Å; Q404-K408 WeakPolarHBondContact O-CD 3.19Å; Q404-K408 WeakPolarHBondContact O-CE 3.4Å; Q404-K408 WeakPolarHBondContact O-CG 3.47Å |
| 405 | H | 52.7 | Low | 46.3 | Very low | 162 Ų | 162 | 107.1 Ų | 107.1 | 75% | 0.75 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -79.8 | -36.6 | 170.3 | -82 | -92.8 | 0 | 0 | 0 | 111.9 | Q402 L403 | Q402-H405 PolarHBondContact O-N 3.45Å; L403-H405 PolarHBondContact O-N 3.35Å |
| 406 | L | 40.9 | Very low | 45.8 | Very low | 101 Ų | 101 | 110.7 Ų | 110.7 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.2 | -39.8 | 175.9 | -64.8 | 169.4 | 0 | 0 | 0 | 111.8 | L375 L403 K408 | L375-L406 HydrophobicContact CD1-CD1 4.3Å; L403-L406 HydrophobicContact CD2-CD1 4.32Å; L403-L406 PolarHBondContact O-N 3.3Å; L403-L406 VanDerWaalsContact O-N 3.15Å; L406-K408 PolarHBondContact O-N 2.99Å; L406-K408 VanDerWaalsContact O-N 3.1Å |
| 407 | M | 38.1 | Very low | 45.1 | Very low | 157 Ų | 157 | 111 Ų | 111 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 0.7 | 177.6 | -66.1 | -113.2 | -63.8 | 0 | 0 | 114.6 | L403 | L403-M407 WeakPolarHBondContact O-CB 3.42Å; L403-M407 VanDerWaalsContact O-CG 3.27Å; L403-M407 WeakPolarHBondContact O-CG 3.46Å; L403-M407 PolarHBondContact O-N 3.27Å |
| 408 | K | 42.9 | Very low | 44.2 | Very low | 134 Ų | 134 | 111.6 Ų | 111.6 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 39.5 | -177.3 | -71.2 | 176.9 | -163.8 | 162.8 | 0 | 113.1 | Q404 L406 P410 | Q404-K408 WeakPolarHBondContact O-CD 3.19Å; Q404-K408 WeakPolarHBondContact O-CE 3.4Å; Q404-K408 WeakPolarHBondContact O-CG 3.47Å; L406-K408 PolarHBondContact O-N 2.99Å; L406-K408 VanDerWaalsContact O-N 3.1Å; K408-P410 WeakPolarHBondContact O-CD 3.36Å |
| 409 | S | 33.1 | Very low | 43.5 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | trans | -67.1 | 123 | 166.2 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 410 | P | 41.7 | Very low | 42.6 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | trans | -81.4 | 125.6 | -171.1 | 30.4 | -34.1 | 0 | 0 | 0 | 112.5 | K408 K412 | K408-P410 WeakPolarHBondContact O-CD 3.36Å; P410-K412 PolarHBondContact O-N 3.38Å | ||
| 411 | V | 36.8 | Very low | 42.2 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 86% | 0.855 | 67% | 0.67 | S | S | * | * | trans | -63.1 | 101.7 | 164.3 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | P413 | V411-P413 WeakPolarHBondContact O-CD 3.42Š| ||
| 412 | K | 37.5 | Very low | 41.6 | Very low | 185 Ų | 185 | 124.2 Ų | 124.2 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -66.5 | 123.9 | 174.6 | -72.7 | -178.5 | 178.3 | 176 | 0 | 109.8 | P410 S414 | P410-K412 PolarHBondContact O-N 3.38Å; K412-S414 PolarHBondContact O-N 3.21Å | ||
| 413 | P | 34.6 | Very low | 41 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | trans | -65.6 | 132 | 164.7 | -14.9 | 29.7 | 0 | 0 | 0 | 109.6 | V411 L415 | V411-P413 WeakPolarHBondContact O-CD 3.42Å; P413-L415 PolarHBondContact O-N 3.17Å | ||
| 414 | S | 36.1 | Very low | 40.5 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -70.8 | 116 | 174.9 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | K412 V416 | K412-S414 PolarHBondContact O-N 3.21Å; S414-V416 PolarHBondContact O-N 3.02Å | ||
| 415 | L | 38.1 | Very low | 39.8 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 94% | 0.942 | 75% | 0.745 | S | S | * | * | trans | -61 | 124.3 | 171.9 | -82.8 | 159.9 | 0 | 0 | 0 | 110.7 | P413 | P413-L415 PolarHBondContact O-N 3.17Š| ||
| 416 | V | 42.5 | Very low | 39.2 | Very low | 129 Ų | 129 | 132 Ų | 132 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | trans | -120.7 | 129.4 | 162.6 | 178.6 | 0 | 0 | 0 | 0 | 106.7 | S414 | S414-V416 PolarHBondContact O-N 3.02Š| ||
| 417 | S | 38.8 | Very low | 39 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -72.6 | 136 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 418 | D | 38 | Very low | 38.9 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | -166.7 | 141.7 | 94.1 | -125.7 | -11.9 | 0 | 0 | 0 | 115.3 | |||||
| 419 | K | 45.7 | Very low | 38.7 | Very low | 152 Ų | 152 | 133 Ų | 133 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | 43.1 | 107.4 | 149.1 | -68.3 | 160.3 | -170.2 | 104.8 | 0 | 122.8 | ||||
| 420 | N | 36.7 | Very low | 38.8 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | 96.5 | 146.3 | 124.2 | -64.3 | -1.2 | 0 | 0 | 0 | 121.8 | |||||
| 421 | P | 40.9 | Very low | 38.5 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -130.9 | 165.4 | -167.5 | 43 | -26.5 | 0 | 0 | 0 | 116.9 | ||||
| 422 | T | 40.9 | Very low | 38.5 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | -163.5 | 149 | 151 | 11.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 423 | T | 41.1 | Very low | 38.6 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | trans | 55.5 | 115.5 | 158.7 | 50.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 424 | E | 38.7 | Very low | 38.6 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | 68.1 | 139.4 | 76 | -73.2 | -174.8 | -140 | 0 | 0 | 114.6 | |||||
| 425 | A | 40.5 | Very low | 38.7 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | cis | -170 | -178.9 | -16 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 426 | V | 39.7 | Very low | 38.7 | Very low | 142 Ų | 142 | 128 Ų | 128 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | 70.5 | 148.3 | 157.4 | 165.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 427 | L | 36 | Very low | 38.6 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | cis | -171 | 112.8 | -25.7 | 179.9 | 65.7 | 0 | 0 | 0 | 113.3 | ||||
| 428 | S | 36.2 | Very low | 38.6 | Very low | 83 Ų | 83 | 130.3 Ų | 130.3 | 58% | 0.58 | 75% | 0.748 | S | S | * | * | trans | 69 | 155.7 | 145.4 | 86.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 429 | K | 39.3 | Very low | 38.5 | Very low | 190 Ų | 190 | 130.5 Ų | 130.5 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | 71.1 | 153.7 | 147.6 | -74.5 | 168.1 | -178.7 | 174.7 | 0 | 119.9 | ||||
| 430 | S | 35.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | cis | -175.6 | 147.5 | -25.4 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 431 | G | 35.9 | Very low | 37.9 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | trans | 141.3 | 132 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 432 | S | 35.3 | Very low | 37.8 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | 78.8 | 133.5 | 39 | 87.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 433 | V | 39.8 | Very low | 37.5 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | cis | -164.2 | 157.2 | 5.4 | 90.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 434 | Q | 35.1 | Very low | 36.9 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 75.4 | 148.3 | 149.5 | -88 | -177.9 | -96.3 | 0 | 0 | 126 | ||||
| 435 | D | 37.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | trans | 96.1 | 131.2 | 139.7 | -62.7 | -11.5 | 0 | 0 | 0 | 125.5 | ||||
| 436 | D | 39 | Very low | 36.3 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 79.3 | 134.6 | 152.5 | -70.2 | -22.6 | 0 | 0 | 0 | 126 | ||||
| 437 | L | 39.9 | Very low | 35.9 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -90.7 | 155.3 | -179.2 | -78.9 | 56.3 | 0 | 0 | 0 | 111.1 | ||||
| 438 | V | 38.6 | Very low | 35.6 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | 161.3 | 131.4 | 119.9 | 157.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 439 | P | 37.2 | Very low | 35.5 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -85.5 | 143.6 | -169.8 | 33.3 | -35.9 | 0 | 0 | 0 | 113.7 | ||||
| 440 | Q | 37.3 | Very low | 35.3 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -105.5 | 116.8 | 168.2 | -75.7 | -171.5 | -11.6 | 0 | 0 | 112.1 | ||||
| 441 | S | 30.9 | Very low | 35.1 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -75.7 | 118.2 | 154.4 | 42.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 442 | I | 39.8 | Very low | 35.1 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -166.2 | 159.3 | 167.2 | -102.3 | 145.5 | 0 | 0 | 0 | 108.3 | ||||
| 443 | Y | 34.7 | Very low | 34.8 | Very low | 220 Ų | 220 | 161.8 Ų | 161.8 | 86% | 0.863 | 81% | 0.81 | S | S | * | * | trans | 85.6 | 68.9 | -175.4 | -66 | -66.4 | 0 | 0 | 0 | 118.7 | ||||
| 444 | M | 28.2 | Very low | 34.6 | Very low | 173 Ų | 173 | 162.3 Ų | 162.3 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -82.1 | 158.6 | 134.8 | -94.9 | -78 | -84.8 | 0 | 0 | 110.3 | ||||
| 445 | T | 34.2 | Very low | 34.6 | Very low | 126 Ų | 126 | 161.9 Ų | 161.9 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 84.3 | 71.2 | 168 | -36 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 446 | H | 32.6 | Very low | 34.6 | Very low | 191 Ų | 191 | 161.5 Ų | 161.5 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -160.5 | 79.4 | 143.3 | -147.8 | -91 | 0 | 0 | 0 | 116.9 | ||||
| 447 | C | 31.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 161.6 Ų | 161.6 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -160.9 | 106.8 | 148.6 | -148.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 448 | M | 28.5 | Very low | 33.9 | Very low | 183 Ų | 183 | 159.5 Ų | 159.5 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -155.1 | 89.2 | 168.8 | -152.7 | -166 | -161.4 | 0 | 0 | 111.3 | ||||
| 449 | K | 35.3 | Very low | 33.7 | Very low | 197 Ų | 197 | 157.7 Ų | 157.7 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -179.9 | 161.6 | 158.8 | -105.9 | 155.2 | -172.3 | 174.7 | 0 | 112.4 | ||||
| 450 | Q | 34.8 | Very low | 33.5 | Very low | 193 Ų | 193 | 159.8 Ų | 159.8 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | 69.8 | 134.4 | -176.2 | -43.5 | -166.2 | 46.3 | 0 | 0 | 112.1 | ||||
| 451 | R | 31.1 | Very low | 33.3 | Very low | 245 Ų | 245 | 156.4 Ų | 156.4 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | cis | -113.4 | 155.1 | 22.3 | -152 | 169.8 | -164.4 | 144.1 | 4 | 113.6 | ||||
| 452 | L | 35.5 | Very low | 33.3 | Very low | 149 Ų | 149 | 156.1 Ų | 156.1 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -108.4 | 153.1 | 177.7 | -86.4 | 162.8 | 0 | 0 | 0 | 112.4 | ||||
| 453 | R | 28.6 | Very low | 32.9 | Very low | 221 Ų | 221 | 155.1 Ų | 155.1 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -10.2 | 134.1 | 162.4 | -58.9 | 170.6 | 178.1 | 154.6 | -2.4 | 119.3 | ||||
| 454 | T | 36.8 | Very low | 33 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -174.5 | 157.8 | 134.5 | 46.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 455 | D | 33.9 | Very low | 33.1 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | cis | -160.5 | 170.3 | -35 | -95.4 | -28.8 | 0 | 0 | 0 | 108.9 | ||||
| 456 | T | 38.2 | Very low | 33 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -52 | 145.4 | -171.6 | 52.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 457 | N | 29.5 | Very low | 32.9 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | 44.1 | 98.9 | 135.5 | -59 | -16 | 0 | 0 | 0 | 120.9 | ||||
| 458 | S | 35 | Very low | 33 | Very low | 115 Ų | 115 | 149 Ų | 149 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 178.6 | 164.3 | 147.7 | 50.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 459 | S | 32.8 | Very low | 33.1 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | cis | -173.9 | 152 | -33.4 | 58.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 460 | L | 34.8 | Very low | 33.1 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 64.3 | 170 | 169.1 | -54 | 165.2 | 0 | 0 | 0 | 114.1 | ||||
| 461 | S | 33.2 | Very low | 33.1 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -156.3 | 168.1 | -39.3 | 50.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 462 | S | 29.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -64.1 | 142 | 175.7 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 463 | S | 31.2 | Very low | 33.6 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | 159 | 126.8 | 111.3 | 62 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 464 | V | 36.7 | Very low | 33.8 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -141.2 | 110.4 | 148.5 | -174 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 465 | L | 30.5 | Very low | 33.9 | Very low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -106.8 | 145.5 | 162.7 | -77.5 | 169.1 | 0 | 0 | 0 | 107.6 | ||||
| 466 | S | 31.9 | Very low | 33.9 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | 171.5 | 161.8 | 129.7 | -79.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 467 | S | 30.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 67.2 | 94.8 | 155.5 | -54.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 468 | L | 34.2 | Very low | 34.3 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | -166.1 | 119.5 | 110.7 | -101.3 | 161.9 | 0 | 0 | 0 | 110.8 | |||||
| 469 | S | 29.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -96.5 | 175 | 163.7 | -48.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 470 | A | 35.8 | Very low | 34.3 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -154.9 | -168.3 | 12.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 471 | E | 34.8 | Very low | 34.1 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | 71.4 | 145.4 | 158.6 | -64.7 | 173 | -150.1 | 0 | 0 | 117 | ||||
| 472 | M | 39.6 | Very low | 34 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | cis | -158.6 | 145.5 | -0.9 | -121.2 | -77.1 | -79.8 | 0 | 0 | 111.3 | ||||
| 473 | S | 37 | Very low | 34.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 58.1 | 155.7 | 166.7 | 60.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 474 | G | 32.8 | Very low | 34.2 | Very low | 61 Ų | 61 | 136.4 Ų | 136.4 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | cis | 161.6 | 148.9 | -5.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 475 | S | 38.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 62.9 | 131 | -169.9 | 56.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 476 | E | 34.3 | Very low | 34.2 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 70.8 | 131.8 | 54.4 | -67.4 | -169.5 | 154.8 | 0 | 0 | 112.7 | |||||
| 477 | I | 38.6 | Very low | 34.4 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 67% | 0.672 | 78% | 0.783 | S | S | * | * | cis | -155.1 | 174.2 | 17.8 | -125.3 | 158 | 0 | 0 | 0 | 111.6 | ||||
| 478 | N | 37.1 | Very low | 34.4 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 81.1 | 125.3 | 172.7 | -67.8 | -30.5 | 0 | 0 | 0 | 119.5 | ||||
| 479 | H | 35.4 | Very low | 34.3 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -85.9 | 149.3 | 162.4 | -61 | -102.7 | 0 | 0 | 0 | 110.2 | ||||
| 480 | D | 33.3 | Very low | 34.5 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | -169.3 | 171.1 | 117.4 | -123.3 | -32.7 | 0 | 0 | 0 | 113.7 | |||||
| 481 | C | 30 | Very low | 34.4 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 65.3 | 86.7 | 165.4 | -158.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 482 | M | 30.7 | Very low | 34.3 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -67.8 | 133.4 | 141.1 | -74.4 | -102.5 | 81.4 | 0 | 0 | 109.4 | ||||
| 483 | L | 33.4 | Very low | 34 | Very low | 154 Ų | 154 | 139 Ų | 139 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 180 | 136.2 | 131.5 | -99 | 161.9 | 0 | 0 | 0 | 114.5 | ||||
| 484 | S | 32.9 | Very low | 33.9 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | 9.2 | 116.9 | 156.9 | 58.3 | 0 | 0 | 0 | 0 | 120.5 | N486 | S484-N486 PolarHBondContact O-N 3.14Š| ||
| 485 | I | 33.5 | Very low | 34 | Very low | 169 Ų | 169 | 150 Ų | 150 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -72 | 114.3 | 160.6 | -60.2 | 172.2 | 0 | 0 | 0 | 109.6 | ||||
| 486 | N | 33.1 | Very low | 33.7 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -153.1 | 86.7 | 166.4 | -167.5 | -6.7 | 0 | 0 | 0 | 110.9 | S484 N488 | S484-N486 PolarHBondContact O-N 3.14Å; N486-N488 PolarHBondContact O-N 3.32Å; N486-N488 PolarHBondContact OD1-ND2 3.49Å | ||
| 487 | T | 36 | Very low | 33.7 | Very low | 134 Ų | 134 | 150 Ų | 150 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -79.2 | 100.7 | -171.9 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 488 | N | 32 | Very low | 33.6 | Very low | 115 Ų | 115 | 155.3 Ų | 155.3 | 62% | 0.615 | 81% | 0.807 | S | S | * | * | trans | -117.6 | 127.3 | 170.3 | -88.2 | -76.4 | 0 | 0 | 0 | 112.1 | N486 | N486-N488 PolarHBondContact O-N 3.32Å; N486-N488 PolarHBondContact OD1-ND2 3.49Å | ||
| 489 | N | 31.6 | Very low | 33.6 | Very low | 149 Ų | 149 | 155.6 Ų | 155.6 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 32.8 | 91 | 149.6 | -60.9 | -47.6 | 0 | 0 | 0 | 119.7 | ||||
| 490 | H | 32.8 | Very low | 33.6 | Very low | 180 Ų | 180 | 154.8 Ų | 154.8 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -127.9 | 153.3 | 138.2 | -91.2 | -110 | 0 | 0 | 0 | 107.2 | ||||
| 491 | L | 33.8 | Very low | 33.8 | Very low | 153 Ų | 153 | 154.4 Ų | 154.4 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | cis | -122 | 145.6 | 8.4 | -67.6 | 76.4 | 0 | 0 | 0 | 111.7 | ||||
| 492 | S | 33.6 | Very low | 34.3 | Very low | 112 Ų | 112 | 158 Ų | 158 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -116.2 | 78.2 | 160.1 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 493 | N | 33.3 | Very low | 34.7 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -165.7 | 107.8 | 165.4 | -100.8 | -33.8 | 0 | 0 | 0 | 111.6 | ||||
| 494 | L | 34.9 | Very low | 35.3 | Very low | 169 Ų | 169 | 157 Ų | 157 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | 178.3 | 100.1 | 146.6 | -100.2 | 157.6 | 0 | 0 | 0 | 109.2 | ||||
| 495 | R | 35 | Very low | 35.4 | Very low | 235 Ų | 235 | 163.6 Ų | 163.6 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -95.2 | 155.8 | 160.5 | -91.3 | -175.2 | 167.9 | 121.4 | -6.4 | 108 | ||||
| 496 | L | 33 | Very low | 35.5 | Very low | 161 Ų | 161 | 163.3 Ų | 163.3 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | 70.1 | 141 | -173.9 | -43.3 | 167.2 | 0 | 0 | 0 | 110.4 | ||||
| 497 | T | 34.7 | Very low | 35.6 | Very low | 131 Ų | 131 | 165.1 Ų | 165.1 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | cis | -133.2 | 147.3 | 13.2 | 43.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 498 | R | 34.7 | Very low | 35.6 | Very low | 242 Ų | 242 | 166.8 Ų | 166.8 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -99.3 | 116.7 | 151.2 | -80 | 179.3 | 172.6 | 171.5 | -4.5 | 107.6 | ||||
| 499 | Q | 37.5 | Very low | 35.8 | Very low | 158 Ų | 158 | 169.8 Ų | 169.8 | 74% | 0.738 | 85% | 0.845 | S | S | * | * | trans | 175.9 | 154 | 139.5 | -150.2 | 66.6 | -14.3 | 0 | 0 | 109.4 | ||||
| 500 | M | 36.3 | Very low | 36.1 | Very low | 168 Ų | 168 | 171.1 Ų | 171.1 | 83% | 0.828 | 85% | 0.848 | S | S | * | * | trans | 67.9 | 133.9 | 172.6 | -40.2 | -173.5 | -148.2 | 0 | 0 | 113.7 | ||||
| 501 | N | 37.7 | Very low | 36.3 | Very low | 155 Ų | 155 | 170.5 Ų | 170.5 | 83% | 0.829 | 85% | 0.849 | S | S | * | * | cis | -119.7 | 154.6 | 18.3 | -82.8 | -38.1 | 0 | 0 | 0 | 114.3 | ||||
| 502 | K | 40.5 | Very low | 36.5 | Very low | 186 Ų | 186 | 171.8 Ų | 171.8 | 81% | 0.809 | 85% | 0.853 | S | S | * | * | trans | -98.2 | 166.4 | 148 | -69.5 | -177.5 | 171.8 | -176.5 | 0 | 108 | ||||
| 503 | N | 38.5 | Very low | 36.7 | Very low | 146 Ų | 146 | 176.4 Ų | 176.4 | 78% | 0.781 | 86% | 0.858 | S | S | * | * | trans | 72.7 | 101.3 | 169.3 | -44.6 | -10.1 | 0 | 0 | 0 | 115 | ||||
| 504 | I | 45.3 | Very low | 37 | Very low | 162 Ų | 162 | 178.9 Ų | 178.9 | 83% | 0.831 | 86% | 0.864 | S | S | * | * | trans | -163.4 | 127.8 | 133.8 | -95.6 | 151.6 | 0 | 0 | 0 | 104.3 | ||||
| 505 | L | 35.8 | Very low | 37.2 | Very low | 234 Ų | 234 | 179.8 Ų | 179.8 | 100% | 1.225 | 86% | 0.862 | S | S | * | * | trans | 65.2 | 0 | -159.6 | -65.2 | 155.7 | 0 | 0 | 0 | 113.1 |
Retrieved 505 of 505 residues in 174.4 ms
(Link to these results)