| 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 | 32.2 | Very low | 32.2 | Very low | 245 Ų | 245 | 148.9 Ų | 148.9 | 100% | 1.207 | 79% | 0.787 | S | S | * | * | 0 | 137.2 | 0 | -73.3 | 174.1 | 164.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 34.8 | Very low | 32.2 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 54.9 | 129.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 3 | E | 36.8 | Very low | 31.9 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | cis | 102.8 | 116.6 | 27.8 | -76 | -162.7 | 109.1 | 0 | 0 | 115.2 | ||||
| 4 | N | 32.8 | Very low | 32.1 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | trans | 65.6 | 129.8 | 136.4 | -58.3 | -23.5 | 0 | 0 | 0 | 123.8 | ||||
| 5 | N | 32.5 | Very low | 32.1 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 90.1 | 132.2 | 135.5 | -83.7 | 13.1 | 0 | 0 | 0 | 123.5 | ||||
| 6 | E | 33.4 | Very low | 33.3 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 48.4 | 125.7 | 146.8 | -60.7 | -168.8 | 110.6 | 0 | 0 | 120.7 | ||||
| 7 | N | 30.9 | Very low | 32.9 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | -153.3 | 169.2 | 115.7 | -116.3 | -73.8 | 0 | 0 | 0 | 113.4 | |||||
| 8 | N | 27.4 | Very low | 32.8 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -133.6 | 157.7 | -161.7 | -171.5 | -12.2 | 0 | 0 | 0 | 111.7 | ||||
| 9 | S | 31.4 | Very low | 32.6 | Very low | 74 Ų | 74 | 148.2 Ų | 148.2 | 52% | 0.517 | 79% | 0.788 | S | S | . | * | trans | 104.8 | 129 | 139.1 | 89.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 10 | K | 33.4 | Very low | 32.5 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | 72.9 | 150.6 | 136.8 | -67.4 | 161.5 | -165.2 | 162.8 | 0 | 117.2 | ||||
| 11 | N | 29 | Very low | 32.6 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | cis | -164.1 | -178.3 | 5.6 | -136.4 | -11 | 0 | 0 | 0 | 112.7 | ||||
| 12 | V | 31.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | 73.4 | 136.6 | 156.7 | 171.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 13 | D | 29.4 | Very low | 32.6 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | cis | -145.8 | 161 | -3 | -141.3 | -30 | 0 | 0 | 0 | 112.7 | ||||
| 14 | V | 34.8 | Very low | 32.6 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -152.4 | 121 | 173.7 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 15 | R | 31.9 | Very low | 32.7 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -164 | 167.3 | 154.4 | -102.4 | -131.9 | 136.8 | 113 | -4.6 | 114.7 | ||||
| 16 | P | 50.1 | Low | 32.9 | Very low | 98 Ų | 98 | 153.1 Ų | 153.1 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -134 | -168.7 | -139 | 47.3 | -33.5 | 0 | 0 | 0 | 115.7 | ||||
| 17 | K | 28.1 | Very low | 33.3 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -177.9 | 155.2 | 159 | -99.3 | 142.1 | -173.5 | 177.6 | 0 | 109.4 | ||||
| 18 | T | 29.5 | Very low | 33.6 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | cis | -159.7 | 168 | -18.2 | 8.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 19 | S | 30.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -99.2 | 167.8 | -175 | 55.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 20 | R | 30.6 | Very low | 33.9 | Very low | 251 Ų | 251 | 155.2 Ų | 155.2 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -145.2 | 146.2 | 158.2 | -157.6 | 172.5 | -169.3 | 172.5 | 4.2 | 110 | ||||
| 21 | S | 34.4 | Very low | 34 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -140.5 | 159.7 | -162 | 51.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 22 | R | 33.4 | Very low | 34.2 | Very low | 253 Ų | 253 | 156 Ų | 156 | 96% | 0.955 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 158.6 | 159.1 | -78.4 | -160 | 167.4 | 173.9 | -2.7 | 110.5 | ||||
| 23 | S | 33.7 | Very low | 34.2 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -161.2 | 150.6 | -163.1 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 24 | A | 37.4 | Very low | 34.3 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -149.3 | 97.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 25 | D | 33.1 | Very low | 34.1 | Very low | 132 Ų | 132 | 154.8 Ų | 154.8 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | 70.4 | 57.9 | 83.8 | -155.4 | 21 | 0 | 0 | 0 | 114.3 | |||||
| 26 | R | 38.5 | Very low | 34.3 | Very low | 210 Ų | 210 | 153.4 Ų | 153.4 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -91.7 | 125.4 | 147.5 | -87.3 | -178.2 | 155 | 126.1 | 3.7 | 107.3 | E316 | R26-E316 IonicContact CZ-OE1 2.62Å; R26-E316 IonicContact NH1-OE1 2.7Å; R26-E316 PolarHBondContact NH1-OE1 3.49Å; R26-E316 VanDerWaalsContact NH1-OE1 3.09Å; R26-E316 IonicContact NH2-OE1 2.71Å; R26-E316 PolarHBondContact NH2-OE1 3.02Å | ||
| 27 | K | 40.3 | Very low | 33.4 | Very low | 167 Ų | 167 | 156.9 Ų | 156.9 | 73% | 0.726 | 81% | 0.812 | S | S | * | * | trans | -124.7 | 88.4 | -157 | -170.3 | 177.1 | -173.7 | 165.8 | 0 | 113.6 | ||||
| 28 | D | 37.1 | Very low | 33.4 | Very low | 146 Ų | 146 | 153.1 Ų | 153.1 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -164.6 | 79.7 | 148.4 | -96.8 | -25.6 | 0 | 0 | 0 | 109.7 | ||||
| 29 | G | 31.3 | Very low | 33.1 | Very low | 72 Ų | 72 | 158.4 Ų | 158.4 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -94.1 | 99.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | V31 | G29-V31 PolarHBondContact O-N 2.88Å; G29-V31 VanDerWaalsContact O-N 3.1Å | ||
| 30 | Y | 35.1 | Very low | 33.1 | Very low | 205 Ų | 205 | 158.3 Ų | 158.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -78 | 87.6 | 171.4 | -77.1 | -87.1 | 0 | 0 | 0 | 111.5 | W32 | Y30-W32 PolarHBondContact O-N 3.33Š| ||
| 31 | V | 34.3 | Very low | 33 | Very low | 132 Ų | 132 | 156 Ų | 156 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -71.8 | 107.4 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 111 | G29 S33 | G29-V31 PolarHBondContact O-N 2.88Å; G29-V31 VanDerWaalsContact O-N 3.1Å; V31-S33 PolarHBondContact O-N 3.48Å | ||
| 32 | W | 33.2 | Very low | 32.8 | Very low | 203 Ų | 203 | 158.5 Ų | 158.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -70.9 | 113.8 | 170.7 | -92.7 | 55.2 | 0 | 0 | 0 | 111.2 | Y30 G34 F385 | Y30-W32 PolarHBondContact O-N 3.33Å; W32-G34 PolarHBondContact O-N 2.76Å; W32-F385 HydrophobicContact CZ2-CB 4.23Å | ||
| 33 | S | 32.8 | Very low | 32.5 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -86.9 | 93.5 | 174.1 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | V31 K35 | V31-S33 PolarHBondContact O-N 3.48Å; S33-K35 PolarHBondContact O-N 2.95Å | ||
| 34 | G | 30.7 | Very low | 32.2 | Very low | 72 Ų | 72 | 152.9 Ų | 152.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -68.6 | 81.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W32 K36 | W32-G34 PolarHBondContact O-N 2.76Å; G34-K36 PolarHBondContact O-N 3.37Å; G34-K36 VanDerWaalsContact O-N 3.09Å | ||
| 35 | K | 30.3 | Very low | 31.7 | Very low | 193 Ų | 193 | 153.6 Ų | 153.6 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 101.9 | 168.1 | -83.1 | -173.1 | 174.8 | -179.7 | 0 | 110.2 | S33 L37 | S33-K35 PolarHBondContact O-N 2.95Å; K35-L37 PolarHBondContact O-N 3.22Å | ||
| 36 | K | 35.9 | Very low | 31.3 | Very low | 207 Ų | 207 | 158.7 Ų | 158.7 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 118 | 168.4 | -62.7 | -177.4 | 179.8 | -176.3 | 0 | 109.3 | G34 | G34-K36 PolarHBondContact O-N 3.37Å; G34-K36 VanDerWaalsContact O-N 3.09Å |
| 37 | L | 31.1 | Very low | 30.9 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 117.6 | 162.4 | -73.5 | 172.5 | 0 | 0 | 0 | 108.3 | K35 | K35-L37 PolarHBondContact O-N 3.22Š|
| 38 | S | 27.7 | Very low | 30.4 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 138.3 | 176.8 | 48 | 0 | 0 | 0 | 0 | 111.1 | S40 | S38-S40 PolarHBondContact O-N 3.3Š|
| 39 | W | 24.2 | Very low | 30.2 | Very low | 248 Ų | 248 | 151.2 Ų | 151.2 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 134.8 | 168 | -73.4 | -25.9 | 0 | 0 | 0 | 111.8 | ||
| 40 | S | 29.3 | Very low | 30.2 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -114.2 | 112.4 | 153.7 | 55.7 | 0 | 0 | 0 | 0 | 108.3 | S38 K42 | S38-S40 PolarHBondContact O-N 3.3Å; S40-K42 PolarHBondContact O-N 3.46Å | ||
| 41 | K | 29.4 | Very low | 30.1 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -69.3 | 128.9 | 169.9 | -68.6 | -177.8 | 177.5 | -177.8 | 0 | 108.7 | ||||
| 42 | K | 29.5 | Very low | 30 | Very low | 159 Ų | 159 | 152.2 Ų | 152.2 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -116.6 | 126.3 | 156.7 | -166.4 | -170.6 | 175.4 | -145.4 | 0 | 107.8 | S40 E44 | S40-K42 PolarHBondContact O-N 3.46Å; K42-E44 VanDerWaalsContact CE-OE1 3.27Å; K42-E44 WeakPolarHBondContact CE-OE1 3.32Å; K42-E44 IonicContact NZ-OE1 2.6Å; K42-E44 PolarHBondContact NZ-OE1 3.15Å; K42-E44 IonicContact NZ-OE2 3.83Å; K42-E44 PolarHBondContact NZ-OE2 3.13Å | ||
| 43 | S | 26.7 | Very low | 29.9 | Very low | 105 Ų | 105 | 150 Ų | 150 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -87.6 | 133.6 | 173.3 | 50.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | E | 28 | Very low | 29.7 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | trans | -145.7 | 118.3 | 160.4 | -120.5 | 127.9 | -143.9 | 0 | 0 | 107 | K42 | K42-E44 VanDerWaalsContact CE-OE1 3.27Å; K42-E44 WeakPolarHBondContact CE-OE1 3.32Å; K42-E44 IonicContact NZ-OE1 2.6Å; K42-E44 PolarHBondContact NZ-OE1 3.15Å; K42-E44 IonicContact NZ-OE2 3.83Å; K42-E44 PolarHBondContact NZ-OE2 3.13Å | ||
| 45 | S | 26.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -95.7 | 141.5 | 178.9 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 46 | Y | 25.9 | Very low | 29.8 | Very low | 239 Ų | 239 | 151.5 Ų | 151.5 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | -142.6 | 145.3 | 159.8 | -119 | -87.6 | 0 | 0 | 0 | 109.6 | ||||
| 47 | S | 29.6 | Very low | 29.6 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -123 | 162.2 | -176.9 | 56 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 48 | D | 28.8 | Very low | 29.6 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -66.8 | 159.1 | -168.6 | -50.9 | -87.4 | 0 | 0 | 0 | 115.8 | ||||
| 49 | A | 34.1 | Very low | 29.7 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -148.5 | 135.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 50 | E | 31.9 | Very low | 30 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -92.3 | -172 | -173.7 | -58.5 | 177.8 | 98.8 | 0 | 0 | 113.5 | ||||
| 51 | T | 32.9 | Very low | 29.9 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 103.2 | 144.2 | 158.8 | 69.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 52 | V | 31.3 | Very low | 30.1 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -172.7 | 150.3 | -38.6 | 118.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 53 | N | 30.2 | Very low | 30.2 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | 71.1 | 150.9 | 162.9 | -73.9 | -12.9 | 0 | 0 | 0 | 123.7 | ||||
| 54 | G | 29.5 | Very low | 30.3 | Very low | 68 Ų | 68 | 151.7 Ų | 151.7 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | 107 | 78.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 55 | I | 32.4 | Very low | 30.5 | Very low | 157 Ų | 157 | 155.2 Ų | 155.2 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | 51.8 | 101.1 | 73.6 | -52.2 | 178.7 | 0 | 0 | 0 | 113.8 | |||||
| 56 | E | 30.3 | Very low | 30.7 | Very low | 177 Ų | 177 | 157.5 Ų | 157.5 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | -164.6 | -161.3 | 93.2 | -158.9 | 148 | -137.1 | 0 | 0 | 110.9 | |||||
| 57 | K | 32.3 | Very low | 31 | Very low | 181 Ų | 181 | 157.1 Ų | 157.1 | 79% | 0.787 | 82% | 0.82 | S | S | * | * | trans | -121.8 | 161.7 | -159 | -55.6 | 161.5 | -176.3 | 162.5 | 0 | 112.6 | ||||
| 58 | T | 30.8 | Very low | 31.4 | Very low | 134 Ų | 134 | 161.2 Ų | 161.2 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | 168 | 165.7 | 123.6 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 59 | E | 29.5 | Very low | 31.4 | Very low | 178 Ų | 178 | 161.7 Ų | 161.7 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -64.5 | 157.6 | -150 | -62.2 | 172 | 116 | 0 | 0 | 122.2 | ||||
| 60 | V | 31 | Very low | 31.3 | Very low | 138 Ų | 138 | 161.9 Ų | 161.9 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -36 | 136.2 | 159.1 | 172.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 61 | S | 28.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 159.6 Ų | 159.6 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | -163.7 | 164.6 | 124.8 | -155.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 62 | L | 32.5 | Very low | 30.7 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | -99.8 | 137.2 | -169.3 | -67.2 | 161.8 | 0 | 0 | 0 | 113.5 | ||||
| 63 | R | 31 | Very low | 30.7 | Very low | 252 Ų | 252 | 158.7 Ų | 158.7 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | -175 | 150.6 | 123.9 | -106.6 | 174.6 | 177.9 | -153.3 | -2.2 | 114.9 | |||||
| 64 | N | 30.6 | Very low | 30.9 | Very low | 167 Ų | 167 | 158.7 Ų | 158.7 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -65.8 | 140.5 | 172.6 | -71.6 | -42.8 | 0 | 0 | 0 | 113 | ||||
| 65 | R | 31.1 | Very low | 31.2 | Very low | 226 Ų | 226 | 164.3 Ų | 164.3 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | -158.1 | 151.9 | 124 | -158.2 | 159.9 | -177.9 | 179.1 | -2.1 | 112.7 | |||||
| 66 | E | 31.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 164.8 Ų | 164.8 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | -61.2 | 151 | -172.7 | -48.1 | 125.3 | 111.4 | 0 | 0 | 114.2 | ||||
| 67 | R | 32.3 | Very low | 31.5 | Very low | 230 Ų | 230 | 164 Ų | 164 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | trans | -130.6 | 142.3 | 159.5 | -68.1 | -170.5 | -174.8 | 128.7 | 1.9 | 110.6 | ||||
| 68 | K | 37.4 | Very low | 31.5 | Very low | 190 Ų | 190 | 163.6 Ų | 163.6 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | trans | -104.6 | 118.7 | 177.4 | -59.7 | 171.8 | -178.1 | 175.8 | 0 | 109.9 | ||||
| 69 | H | 27.8 | Very low | 31.8 | Very low | 169 Ų | 169 | 163.3 Ų | 163.3 | 78% | 0.782 | 83% | 0.834 | S | S | * | * | trans | -143.5 | 129 | 154.7 | -62.3 | -73.8 | 0 | 0 | 0 | 106.2 | ||||
| 70 | S | 31.7 | Very low | 32.2 | Very low | 107 Ų | 107 | 164 Ų | 164 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | cis | 79.4 | 80.9 | 45.2 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 71 | C | 24.4 | Very low | 32.6 | Very low | 130 Ų | 130 | 163 Ų | 163 | 88% | 0.878 | 84% | 0.836 | S | S | * | * | trans | -164.9 | 152.4 | 157.7 | -91 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 72 | S | 28.8 | Very low | 33 | Very low | 105 Ų | 105 | 163.2 Ų | 163.2 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | cis | -162.2 | 135.3 | -25.5 | 48.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 73 | S | 31.1 | Very low | 33 | Very low | 128 Ų | 128 | 158.6 Ų | 158.6 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -75.4 | 137 | 178.8 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 74 | I | 34 | Very low | 33.8 | Very low | 157 Ų | 157 | 155.1 Ų | 155.1 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | trans | -136.7 | 115.8 | 160.9 | -173.8 | 166.9 | 0 | 0 | 0 | 108.3 | ||||
| 75 | E | 35.5 | Very low | 34.7 | Very low | 185 Ų | 185 | 157.7 Ų | 157.7 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -92.2 | 135.1 | 170.4 | -73.9 | 178.1 | 134 | 0 | 0 | 109.1 | ||||
| 76 | L | 34.6 | Very low | 35.7 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -142.2 | 128.2 | 151.3 | -76.6 | -178.2 | 0 | 0 | 0 | 107.5 | ||||
| 77 | D | 34.9 | Very low | 36.8 | Very low | 161 Ų | 161 | 154 Ų | 154 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -68.1 | 151.4 | -172.9 | -87.1 | -57.4 | 0 | 0 | 0 | 114.3 | ||||
| 78 | L | 33.2 | Very low | 37.9 | Very low | 171 Ų | 171 | 147 Ų | 147 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -153.2 | 126.3 | 144.6 | -115.9 | 156.4 | 0 | 0 | 0 | 110.9 | ||||
| 79 | D | 36.9 | Very low | 39.5 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | -62.9 | 136.1 | -162.7 | -139.7 | -41.8 | 0 | 0 | 0 | 114.8 | ||||
| 80 | H | 37.4 | Very low | 42 | Very low | 192 Ų | 192 | 137.9 Ų | 137.9 | 89% | 0.889 | 78% | 0.776 | S | S | * | * | trans | -154.4 | 98.7 | 155.6 | -104.5 | -64 | 0 | 0 | 0 | 111.9 | C82 | H80-C82 PolarHBondContact O-N 3.27Å; H80-C82 VanDerWaalsContact O-N 3.09Å | ||
| 81 | S | 40.6 | Very low | 44 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -66.9 | 100.1 | -179.9 | -78.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 82 | C | 34.6 | Very low | 46.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -162.1 | 110.5 | 148.9 | -167.7 | 0 | 0 | 0 | 0 | 115.4 | H80 H84 | H80-C82 PolarHBondContact O-N 3.27Å; H80-C82 VanDerWaalsContact O-N 3.09Å; C82-H84 PolarHBondContact O-N 3.34Å | ||
| 83 | G | 33.5 | Very low | 48.6 | Very low | 60 Ų | 60 | 140 Ų | 140 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | 79 | 16.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | R85 | G83-R85 PolarHBondContact O-N 3.35Å; G83-R85 VanDerWaalsContact O-N 3.11Å | |||
| 84 | H | 46.7 | Very low | 51.1 | Low | 180 Ų | 180 | 139.1 Ų | 139.1 | 83% | 0.833 | 73% | 0.731 | S | S | * | * | trans | 24.8 | 74.9 | 143.3 | -159.9 | -76.6 | 0 | 0 | 0 | 118 | C82 | C82-H84 PolarHBondContact O-N 3.34Š| ||
| 85 | R | 51.1 | Low | 53 | Low | 221 Ų | 221 | 137.2 Ų | 137.2 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -152.3 | 23.9 | 177.1 | -132.8 | -171.8 | -62.6 | -147.9 | 4.9 | 119 | G83 | G83-R85 PolarHBondContact O-N 3.35Å; G83-R85 VanDerWaalsContact O-N 3.11Å | ||
| 86 | F | 51.5 | Low | 54.9 | Low | 138 Ų | 138 | 133.5 Ų | 133.5 | 61% | 0.605 | 71% | 0.705 | S | S | * | * | trans | -116.1 | -2.9 | -170.9 | -76.7 | -78.1 | 0 | 0 | 0 | 117.9 | G88 | F86-G88 VanDerWaalsContact C-N 3.26Å; F86-G88 PolarHBondContact O-N 3.39Å | ||
| 87 | L | 54.7 | Low | 56.7 | Low | 171 Ų | 171 | 128.3 Ų | 128.3 | 90% | 0.895 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -9.9 | -175.1 | -70.4 | 172.1 | 0 | 0 | 0 | 115.5 | ||
| 88 | G | 56.3 | Low | 58.5 | Low | 82 Ų | 82 | 122.8 Ų | 122.8 | 85% | 0.845 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 3.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | F86 | F86-G88 VanDerWaalsContact C-N 3.26Å; F86-G88 PolarHBondContact O-N 3.39Å |
| 89 | R | 70.4 | Confident | 60.2 | Low | 99 Ų | 99 | 118.3 Ų | 118.3 | 37% | 0.374 | 63% | 0.634 | S | S | . | * | trans | -89.9 | 128.2 | -174.4 | -64.3 | -167.3 | -172.6 | -147 | -1.7 | 112.5 | Q93 K94 D97 | R89-Q93 HydrophobicContact CB-CB 4.21Å; R89-Q93 HydrophobicContact CB-CG 4.27Å; R89-Q93 HydrophobicContact CG-CG 4.29Å; R89-K94 HydrophobicContact CB-CG 3.99Å; R89-K94 VanDerWaalsContact O-CE 3.28Å; R89-K94 WeakPolarHBondContact O-CE 3.38Å; R89-D97 VanDerWaalsContact CD-OD2 3.28Å; R89-D97 WeakPolarHBondContact CD-OD2 3.43Å; R89-D97 IonicContact CZ-OD2 3.65Å; R89-D97 IonicContact NE-OD2 3.36Å; R89-D97 IonicContact NH1-OD1 2.92Å; R89-D97 PolarHBondContact NH1-OD1 2.87Å; R89-D97 IonicContact NH1-OD2 2.72Å; R89-D97 PolarHBondContact NH1-OD2 2.99Å | ||
| 90 | S | 80.3 | Confident | 61.6 | Low | 70 Ų | 70 | 114.6 Ų | 114.6 | 49% | 0.49 | 63% | 0.626 | S | S | . | * | trans | -63.5 | 160.1 | 174.6 | 74.2 | 0 | 0 | 0 | 0 | 112 | K92 Q93 K94 | S90-K92 VanDerWaalsContact C-N 3.26Å; S90-K92 PolarHBondContact O-N 2.87Å; S90-Q93 WeakPolarHBondContact O-CB 3.48Å; S90-Q93 PolarHBondContact O-N 3.47Å; S90-Q93 PolarHBondContact OG-N 3.09Å; S90-K94 PolarHBondContact O-N 3.06Å | ||
| 91 | L | 74.3 | Confident | 62.8 | Low | 148 Ų | 148 | 113 Ų | 113 | 78% | 0.775 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56.5 | -40.5 | 178.1 | -177.8 | 62.3 | 0 | 0 | 0 | 112.1 | Q93 K94 L95 | L91-Q93 PolarHBondContact O-N 3.44Å; L91-K94 PolarHBondContact O-N 3.25Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 PolarHBondContact O-N 3.09Å |
| 92 | K | 71.5 | Confident | 63.7 | Low | 154 Ų | 154 | 111.4 Ų | 111.4 | 67% | 0.67 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.3 | -42.7 | 175 | -175.9 | 176.2 | 179.4 | 178.2 | 0 | 112 | S90 L95 Q96 | S90-K92 VanDerWaalsContact C-N 3.26Å; S90-K92 PolarHBondContact O-N 2.87Å; K92-L95 PolarHBondContact O-N 3.38Å; K92-Q96 WeakPolarHBondContact O-CG 3.28Å; K92-Q96 PolarHBondContact O-N 3.43Å |
| 93 | Q | 77 | Confident | 64.8 | Low | 84 Ų | 84 | 109.6 Ų | 109.6 | 39% | 0.393 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.5 | -46.6 | 177.1 | -164.1 | 72.2 | 50.6 | 0 | 0 | 111.1 | R89 S90 L91 L95 Q96 D97 | R89-Q93 HydrophobicContact CB-CB 4.21Å; R89-Q93 HydrophobicContact CB-CG 4.27Å; R89-Q93 HydrophobicContact CG-CG 4.29Å; S90-Q93 WeakPolarHBondContact O-CB 3.48Å; S90-Q93 PolarHBondContact O-N 3.47Å; S90-Q93 PolarHBondContact OG-N 3.09Å; L91-Q93 PolarHBondContact O-N 3.44Å; Q93-L95 VanDerWaalsContact C-N 3.3Å; Q93-L95 PolarHBondContact O-N 2.68Å; Q93-Q96 PolarHBondContact O-N 3.14Å; Q93-D97 WeakPolarHBondContact O-CB 3.49Å; Q93-D97 PolarHBondContact O-N 3.18Å |
| 94 | K | 84.6 | Confident | 65.5 | Low | 109 Ų | 109 | 111.8 Ų | 111.8 | 47% | 0.474 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.5 | -38.5 | 176.4 | -69.3 | 179.1 | 177.3 | 178.3 | 0 | 112.2 | R89 S90 L91 A98 | R89-K94 HydrophobicContact CB-CG 3.99Å; R89-K94 VanDerWaalsContact O-CE 3.28Å; R89-K94 WeakPolarHBondContact O-CE 3.38Å; S90-K94 PolarHBondContact O-N 3.06Å; L91-K94 PolarHBondContact O-N 3.25Å; K94-A98 VanDerWaalsContact O-CB 3.31Å; K94-A98 WeakPolarHBondContact O-CB 3.49Å; K94-A98 PolarHBondContact O-N 2.93Å |
| 95 | L | 73.1 | Confident | 65.6 | Low | 117 Ų | 117 | 109.7 Ų | 109.7 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.7 | -41.6 | 175.3 | -167 | 73.1 | 0 | 0 | 0 | 111.6 | L91 K92 Q93 A98 V99 | L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 PolarHBondContact O-N 3.09Å; K92-L95 PolarHBondContact O-N 3.38Å; Q93-L95 VanDerWaalsContact C-N 3.3Å; Q93-L95 PolarHBondContact O-N 2.68Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-V99 WeakPolarHBondContact O-CB 3.41Å; L95-V99 VanDerWaalsContact O-CG2 3.29Å; L95-V99 WeakPolarHBondContact O-CG2 3.44Å; L95-V99 PolarHBondContact O-N 2.95Å |
| 96 | Q | 74.9 | Confident | 65.2 | Low | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -42 | 175.3 | -72.5 | 175.6 | -50.4 | 0 | 0 | 112.3 | K92 Q93 A98 V99 G100 | K92-Q96 WeakPolarHBondContact O-CG 3.28Å; K92-Q96 PolarHBondContact O-N 3.43Å; Q93-Q96 PolarHBondContact O-N 3.14Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.91Å; Q96-V99 PolarHBondContact O-N 3.47Å; Q96-G100 PolarHBondContact O-N 2.91Å |
| 97 | D | 73 | Confident | 64.5 | Low | 58 Ų | 58 | 107.8 Ų | 107.8 | 31% | 0.31 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.7 | -42.7 | 173.2 | -66.9 | -41.2 | 0 | 0 | 0 | 110.9 | R89 Q93 G100 Q101 | R89-D97 VanDerWaalsContact CD-OD2 3.28Å; R89-D97 WeakPolarHBondContact CD-OD2 3.43Å; R89-D97 IonicContact CZ-OD2 3.65Å; R89-D97 IonicContact NE-OD2 3.36Å; R89-D97 IonicContact NH1-OD1 2.92Å; R89-D97 PolarHBondContact NH1-OD1 2.87Å; R89-D97 IonicContact NH1-OD2 2.72Å; R89-D97 PolarHBondContact NH1-OD2 2.99Å; Q93-D97 WeakPolarHBondContact O-CB 3.49Å; Q93-D97 PolarHBondContact O-N 3.18Å; D97-G100 PolarHBondContact O-N 3.37Å; D97-Q101 WeakPolarHBondContact O-CG 3.28Å; D97-Q101 PolarHBondContact O-N 3.05Å |
| 98 | A | 72.9 | Confident | 63.7 | Low | 46 Ų | 46 | 105.7 Ų | 105.7 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K94 L95 Q96 G100 Q101 C102 | K94-A98 VanDerWaalsContact O-CB 3.31Å; K94-A98 WeakPolarHBondContact O-CB 3.49Å; K94-A98 PolarHBondContact O-N 2.93Å; L95-A98 PolarHBondContact O-N 3.48Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.91Å; A98-G100 VanDerWaalsContact C-N 3.26Å; A98-G100 PolarHBondContact O-N 3.39Å; A98-Q101 WeakPolarHBondContact O-CB 3.44Å; A98-Q101 PolarHBondContact O-N 2.9Å; A98-C102 PolarHBondContact O-N 2.62Å; A98-C102 PolarHBondContact O-SG 3.49Å; A98-C102 VanDerWaalsContact O-SG 3.37Å |
| 99 | V | 70.1 | Confident | 63 | Low | 77 Ų | 77 | 106.9 Ų | 106.9 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.3 | -38.8 | 173.1 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | L95 Q96 Q101 C102 F103 | L95-V99 WeakPolarHBondContact O-CB 3.41Å; L95-V99 VanDerWaalsContact O-CG2 3.29Å; L95-V99 WeakPolarHBondContact O-CG2 3.44Å; L95-V99 PolarHBondContact O-N 2.95Å; Q96-V99 PolarHBondContact O-N 3.47Å; V99-Q101 VanDerWaalsContact C-N 3.26Å; V99-Q101 PolarHBondContact O-N 3.1Å; V99-C102 PolarHBondContact O-N 2.71Å; V99-F103 HydrophobicContact CG1-CD2 3.99Å; V99-F103 HydrophobicContact CG1-CE2 4.42Å; V99-F103 WeakPolarHBondContact O-CD2 3.26Å; V99-F103 PolarHBondContact O-N 3.05Å |
| 100 | G | 65.3 | Low | 61.2 | Low | 50 Ų | 50 | 107.8 Ų | 107.8 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.2 | -19.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q96 D97 A98 | Q96-G100 PolarHBondContact O-N 2.91Å; D97-G100 PolarHBondContact O-N 3.37Å; A98-G100 VanDerWaalsContact C-N 3.26Å; A98-G100 PolarHBondContact O-N 3.39Å |
| 101 | Q | 63 | Low | 59.3 | Low | 158 Ų | 158 | 114.8 Ų | 114.8 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.7 | -41.3 | 171.3 | -65.7 | -75.1 | -12.3 | 0 | 0 | 111.4 | D97 A98 V99 F103 | D97-Q101 WeakPolarHBondContact O-CG 3.28Å; D97-Q101 PolarHBondContact O-N 3.05Å; A98-Q101 WeakPolarHBondContact O-CB 3.44Å; A98-Q101 PolarHBondContact O-N 2.9Å; V99-Q101 VanDerWaalsContact C-N 3.26Å; V99-Q101 PolarHBondContact O-N 3.1Å; Q101-F103 VanDerWaalsContact C-N 3.29Å; Q101-F103 PolarHBondContact O-N 2.87Å |
| 102 | C | 59.8 | Low | 57.6 | Low | 84 Ų | 84 | 116.3 Ų | 116.3 | 57% | 0.568 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.1 | -25.8 | 177.8 | -66.5 | 0 | 0 | 0 | 0 | 113.3 | A98 V99 P104 | A98-C102 PolarHBondContact O-N 2.62Å; A98-C102 PolarHBondContact O-SG 3.49Å; A98-C102 VanDerWaalsContact O-SG 3.37Å; V99-C102 PolarHBondContact O-N 2.71Å; C102-P104 WeakPolarHBondContact O-CD 3.22Å |
| 103 | F | 56.4 | Low | 55.6 | Low | 88 Ų | 88 | 115 Ų | 115 | 39% | 0.386 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -116.1 | 85.7 | 170.1 | -64.2 | -80.5 | 0 | 0 | 0 | 109.7 | V99 Q101 I105 | V99-F103 HydrophobicContact CG1-CD2 3.99Å; V99-F103 HydrophobicContact CG1-CE2 4.42Å; V99-F103 WeakPolarHBondContact O-CD2 3.26Å; V99-F103 PolarHBondContact O-N 3.05Å; Q101-F103 VanDerWaalsContact C-N 3.29Å; Q101-F103 PolarHBondContact O-N 2.87Å; F103-I105 PolarHBondContact O-N 2.86Å |
| 104 | P | 48.9 | Very low | 53.8 | Low | 105 Ų | 105 | 117 Ų | 117 | 68% | 0.682 | 65% | 0.652 | S | S | * | * | trans | -74.1 | 65.6 | -175.9 | 31 | -36.8 | 0 | 0 | 0 | 112.7 | C102 K106 | C102-P104 WeakPolarHBondContact O-CD 3.22Å; P104-K106 PolarHBondContact O-N 3.32Å; P104-K106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | I | 48 | Very low | 51.9 | Low | 136 Ų | 136 | 115.2 Ų | 115.2 | 70% | 0.697 | 67% | 0.665 | S | S | * | * | trans | -65.6 | 107.4 | 168.5 | -58.1 | 175.5 | 0 | 0 | 0 | 107.4 | F103 N107 | F103-I105 PolarHBondContact O-N 2.86Å; I105-N107 VanDerWaalsContact C-N 3.26Å; I105-N107 PolarHBondContact O-N 3.32Å | ||
| 106 | K | 42.8 | Very low | 50.5 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | trans | -71 | 79.4 | 177.9 | -70 | -179.6 | 179.6 | 174 | 0 | 111.1 | P104 C108 | P104-K106 PolarHBondContact O-N 3.32Å; P104-K106 VanDerWaalsContact O-N 3.1Å; K106-C108 PolarHBondContact O-N 3.31Å | ||
| 107 | N | 38.5 | Very low | 49 | Very low | 133 Ų | 133 | 117.6 Ų | 117.6 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | -66 | 99.8 | 164.2 | -86.6 | 15.7 | 0 | 0 | 0 | 108.9 | I105 S109 | I105-N107 VanDerWaalsContact C-N 3.26Å; I105-N107 PolarHBondContact O-N 3.32Å; N107-S109 PolarHBondContact O-N 3.18Å | ||
| 108 | C | 36.6 | Very low | 47.5 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | trans | -70.6 | 68.5 | 175.5 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | K106 | K106-C108 PolarHBondContact O-N 3.31Š| ||
| 109 | S | 42.7 | Very low | 46.8 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -130.5 | 42 | -178.7 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | N107 | N107-S109 PolarHBondContact O-N 3.18Š| ||
| 110 | S | 31.8 | Very low | 46.8 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -98.1 | 132 | 157.1 | -169.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 111 | R | 40.4 | Very low | 47.1 | Very low | 216 Ų | 216 | 140.7 Ų | 140.7 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | -90.6 | 152.1 | 179 | -58 | -178.4 | -175.9 | 176.8 | 1.5 | 109.9 | ||||
| 112 | H | 37.7 | Very low | 47.6 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | 71.7 | 69.5 | 168.5 | -46.1 | -73 | 0 | 0 | 0 | 117.7 | ||||
| 113 | S | 30.2 | Very low | 48.3 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 88% | 0.881 | 75% | 0.745 | S | S | * | * | -140.5 | 151.5 | 129.4 | 67.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 114 | S | 39.8 | Very low | 49.1 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | -96.4 | 130.3 | -160.6 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 115 | G | 45.2 | Very low | 50.2 | Low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | 103.6 | 82.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 116 | L | 42.3 | Very low | 51.5 | Low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | trans | -140.8 | 150.2 | 144 | -80.7 | -174.7 | 0 | 0 | 0 | 109.4 | ||||
| 117 | P | 44.2 | Very low | 52.9 | Low | 106 Ų | 106 | 126.6 Ų | 126.6 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | trans | -74.5 | 153.4 | -172 | 30 | -35.4 | 0 | 0 | 0 | 113.3 | ||||
| 118 | S | 41.3 | Very low | 54.5 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | -59.1 | 149.6 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | R120 | S118-R120 PolarHBondContact O-N 3.49Š| ||
| 119 | K | 58.1 | Low | 56.5 | Low | 214 Ų | 214 | 125.1 Ų | 125.1 | 93% | 0.93 | 68% | 0.675 | S | S | * | * | trans | -71.8 | 59.7 | 174.4 | -67.8 | -174.5 | 177.4 | -178.4 | 0 | 111.9 | ||||
| 120 | R | 70.6 | Confident | 58 | Low | 191 Ų | 191 | 126.8 Ų | 126.8 | 72% | 0.721 | 68% | 0.675 | S | S | * | * | trans | -65.4 | 133.6 | 170 | -170.2 | -177.7 | -176.5 | 93 | 0.1 | 108.8 | S118 I122 E126 | S118-R120 PolarHBondContact O-N 3.49Å; R120-I122 PolarHBondContact O-N 2.82Å; R120-E126 IonicContact NE-OE1 2.87Å | ||
| 121 | K | 71.9 | Confident | 60.2 | Low | 199 Ų | 199 | 129.8 Ų | 129.8 | 87% | 0.865 | 67% | 0.673 | S | S | * | * | trans | -67.3 | 112.4 | 164.5 | -70.1 | -176.1 | 176.8 | -177.8 | 0 | 107.6 | H123 | K121-H123 PolarHBondContact O-N 3.41Š| ||
| 122 | I | 73.6 | Confident | 62.2 | Low | 68 Ų | 68 | 121.1 Ų | 121.1 | 35% | 0.349 | 65% | 0.646 | S | S | . | * | trans | -70.5 | 119.8 | 172.6 | -63 | 167.4 | 0 | 0 | 0 | 106.9 | R120 E126 L127 F134 L140 | R120-I122 PolarHBondContact O-N 2.82Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; I122-L127 HydrophobicContact CG2-CD2 3.97Å; I122-L127 HydrophobicContact CG2-CG 4.34Å; I122-F134 HydrophobicContact CD1-CE1 3.95Å; I122-F134 HydrophobicContact CD1-CZ 3.76Å; I122-F134 HydrophobicContact CG1-CE1 4.16Å; I122-F134 HydrophobicContact CG1-CZ 4.13Å; I122-F134 HydrophobicContact CG2-CZ 3.95Å; I122-L140 HydrophobicContact CD1-CD1 4.2Å; I122-L140 HydrophobicContact CD1-CD2 4Å | ||
| 123 | H | 74.1 | Confident | 64.2 | Low | 119 Ų | 119 | 115.4 Ų | 115.4 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | trans | -78.4 | 149.8 | 176.3 | -166.4 | -112.1 | 0 | 0 | 0 | 110.6 | K121 S125 E126 | K121-H123 PolarHBondContact O-N 3.41Å; H123-S125 PolarHBondContact ND1-OG 3.04Å; H123-S125 PolarHBondContact O-N 3.02Å; H123-S125 VanDerWaalsContact O-N 3.11Å; H123-E126 HydrophobicContact CB-CG 4.44Å; H123-E126 WeakPolarHBondContact O-CB 3.29Å; H123-E126 PolarHBondContact O-N 3.3Å | ||
| 124 | I | 71.9 | Confident | 66.7 | Low | 120 Ų | 120 | 110.8 Ų | 110.8 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.5 | -30.6 | -174.8 | -156.5 | 74.5 | 0 | 0 | 0 | 112.2 | E126 L127 | I124-E126 VanDerWaalsContact C-N 3.29Å; I124-E126 PolarHBondContact O-N 3.06Å; I124-L127 HydrophobicContact CD1-CD1 4.2Å; I124-L127 WeakPolarHBondContact O-CB 3.27Å; I124-L127 PolarHBondContact O-N 3.24Å; I124-L127 VanDerWaalsContact O-N 3.13Å |
| 125 | S | 73.7 | Confident | 68.8 | Low | 63 Ų | 63 | 109.1 Ų | 109.1 | 44% | 0.441 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.4 | -26.3 | 174.7 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | H123 L127 M128 | H123-S125 PolarHBondContact ND1-OG 3.04Å; H123-S125 PolarHBondContact O-N 3.02Å; H123-S125 VanDerWaalsContact O-N 3.11Å; S125-L127 PolarHBondContact O-N 3.42Å; S125-M128 PolarHBondContact O-N 3.43Å |
| 126 | E | 75.3 | Confident | 70.1 | Confident | 40 Ų | 40 | 111.6 Ų | 111.6 | 19% | 0.187 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -68.9 | -25.2 | 175.1 | -61.8 | 178.6 | -166.6 | 0 | 0 | 111.5 | R120 I122 H123 I124 P133 W144 | R120-E126 IonicContact NE-OE1 2.87Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; H123-E126 HydrophobicContact CB-CG 4.44Å; H123-E126 WeakPolarHBondContact O-CB 3.29Å; H123-E126 PolarHBondContact O-N 3.3Å; I124-E126 VanDerWaalsContact C-N 3.29Å; I124-E126 PolarHBondContact O-N 3.06Å; E126-P133 HydrophobicContact CB-CG 4.47Å; E126-W144 PolarHBondContact O-NE1 3.4Å |
| 127 | L | 71.2 | Confident | 71.6 | Confident | 52 Ų | 52 | 115.8 Ų | 115.8 | 27% | 0.272 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -79.6 | -22.6 | 174.4 | -54.5 | -174.6 | 0 | 0 | 0 | 112.8 | I122 I124 S125 F134 | I122-L127 HydrophobicContact CG2-CD2 3.97Å; I122-L127 HydrophobicContact CG2-CG 4.34Å; I124-L127 HydrophobicContact CD1-CD1 4.2Å; I124-L127 WeakPolarHBondContact O-CB 3.27Å; I124-L127 PolarHBondContact O-N 3.24Å; I124-L127 VanDerWaalsContact O-N 3.13Å; S125-L127 PolarHBondContact O-N 3.42Å; L127-F134 HydrophobicContact CD2-CE2 4.35Å |
| 128 | M | 72.9 | Confident | 73.4 | Confident | 149 Ų | 149 | 112.3 Ų | 112.3 | 73% | 0.734 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -90.8 | 1.4 | -178.5 | -61.2 | -58.7 | -66.3 | 0 | 0 | 113.9 | S125 | S125-M128 PolarHBondContact O-N 3.43Š|
| 129 | L | 77.8 | Confident | 75.2 | Confident | 79 Ų | 79 | 112.6 Ų | 112.6 | 41% | 0.414 | 55% | 0.553 | S | S | . | * | trans | -67.5 | 161.2 | -178.6 | -67 | 176.9 | 0 | 0 | 0 | 113 | P133 W144 K148 | L129-P133 HydrophobicContact CD1-CB 4.13Å; L129-P133 HydrophobicContact CD1-CG 4.17Å; L129-W144 HydrophobicContact CB-CZ2 4.41Å; L129-W144 WeakPolarHBondContact O-CZ2 3.34Å; L129-K148 PolarHBondContact O-NZ 2.8Å | ||
| 130 | D | 73.2 | Confident | 76.4 | Confident | 142 Ų | 142 | 105.6 Ų | 105.6 | 76% | 0.759 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -79 | -32.9 | 177 | -92.1 | -43 | 0 | 0 | 0 | 115.4 | K148 | D130-K148 VanDerWaalsContact CA-NZ 3.32Å; D130-K148 PolarHBondContact O-NZ 3.13Å; D130-K148 IonicContact OD1-NZ 2.71Å; D130-K148 PolarHBondContact OD1-NZ 2.7Å |
| 131 | K | 78.1 | Confident | 77.1 | Confident | 181 Ų | 181 | 96.8 Ų | 96.8 | 79% | 0.787 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -116.5 | 143.5 | 177 | -62.8 | 177.1 | -178 | 176 | 0 | 109.4 | P133 | K131-P133 WeakPolarHBondContact O-CD 3.36Š|
| 132 | C | 82.4 | Confident | 77.7 | Confident | 35 Ų | 35 | 94.5 Ų | 94.5 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | trans | -65.7 | 124.9 | -175.5 | -168 | 0 | 0 | 0 | 0 | 111.1 | F134 W144 H145 | C132-F134 VanDerWaalsContact C-N 3.28Å; C132-F134 PolarHBondContact O-N 3.36Å; C132-W144 HydrophobicContact CB-CD2 3.92Å; C132-W144 HydrophobicContact CB-CE3 3.51Å; C132-W144 HydrophobicContact CB-CH2 4.01Å; C132-W144 HydrophobicContact CB-CZ2 4.34Å; C132-W144 HydrophobicContact CB-CZ3 3.58Å; C132-W144 VanDerWaalsContact N-CH2 3.32Å; C132-W144 VanDerWaalsContact SG-CD2 3.58Å; C132-W144 VanDerWaalsContact SG-CE3 3.56Å; C132-H145 VanDerWaalsContact CB-CE1 3.43Å; C132-H145 WeakPolarHBondContact CB-CE1 3Å | ||
| 133 | P | 80.4 | Confident | 78.1 | Confident | 61 Ų | 61 | 98.7 Ų | 98.7 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | trans | -81.6 | -3.9 | -179.6 | 33.6 | -36.6 | 0 | 0 | 0 | 113.6 | E126 L129 K131 | E126-P133 HydrophobicContact CB-CG 4.47Å; L129-P133 HydrophobicContact CD1-CB 4.13Å; L129-P133 HydrophobicContact CD1-CG 4.17Å; K131-P133 WeakPolarHBondContact O-CD 3.36Å | ||
| 134 | F | 83.5 | Confident | 78.8 | Confident | 29 Ų | 29 | 93.5 Ų | 93.5 | 13% | 0.127 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -99.7 | 149.3 | -174.2 | -54.8 | -57.8 | 0 | 0 | 0 | 112.3 | I122 L127 C132 L140 A141 W144 | I122-F134 HydrophobicContact CD1-CE1 3.95Å; I122-F134 HydrophobicContact CD1-CZ 3.76Å; I122-F134 HydrophobicContact CG1-CE1 4.16Å; I122-F134 HydrophobicContact CG1-CZ 4.13Å; I122-F134 HydrophobicContact CG2-CZ 3.95Å; L127-F134 HydrophobicContact CD2-CE2 4.35Å; C132-F134 VanDerWaalsContact C-N 3.28Å; C132-F134 PolarHBondContact O-N 3.36Å; F134-L140 HydrophobicContact CB-CB 4.05Å; F134-L140 HydrophobicContact CD1-CB 3.97Å; F134-L140 HydrophobicContact CD1-CD1 4.14Å; F134-L140 HydrophobicContact CD2-CB 3.84Å; F134-L140 HydrophobicContact CE1-CB 4.44Å; F134-L140 HydrophobicContact CE1-CD1 4.31Å; F134-L140 HydrophobicContact CE2-CB 4.3Å; F134-L140 HydrophobicContact CG-CB 3.66Å; F134-A141 HydrophobicContact CB-CB 3.97Å; F134-W144 HydrophobicContact CD2-CB 3.95Å; F134-W144 HydrophobicContact CD2-CG 4.22Å; F134-W144 HydrophobicContact CE2-CB 4.04Å; F134-W144 AromaticContact CE2-CD1 3.72Å; F134-W144 HydrophobicContact CE2-CG 4.15Å |
| 135 | P | 82.2 | Confident | 79.4 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 58% | 0.578 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 139.5 | 179.3 | -26.6 | 35.1 | 0 | 0 | 0 | 112.8 | S138 A141 | P135-S138 VanDerWaalsContact O-CB 3.28Å; P135-S138 WeakPolarHBondContact O-CB 3.43Å; P135-S138 PolarHBondContact O-N 3.11Å; P135-S138 VanDerWaalsContact O-N 3.14Å; P135-S138 PolarHBondContact O-OG 2.71Å; P135-A141 WeakPolarHBondContact O-CB 3.44Å |
| 136 | P | 72.4 | Confident | 79.9 | Confident | 125 Ų | 125 | 94.8 Ų | 94.8 | 81% | 0.812 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 143.7 | 179.1 | 25.4 | -34.2 | 0 | 0 | 0 | 110.9 | S138 | P136-S138 PolarHBondContact O-N 2.6Š|
| 137 | R | 74.3 | Confident | 80.3 | Confident | 258 Ų | 258 | 96.2 Ų | 96.2 | 97% | 0.974 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 11.6 | -172.8 | -57.9 | 177.6 | 169.7 | 152.3 | -3.9 | 116 | ||
| 138 | S | 82.2 | Confident | 80.8 | Confident | 32 Ų | 32 | 96.7 Ų | 96.7 | 22% | 0.224 | 47% | 0.473 | C | S | . | . | trans | -81.5 | 151 | 167 | 68.1 | 0 | 0 | 0 | 0 | 112.7 | P135 P136 L140 A141 F142 | P135-S138 VanDerWaalsContact O-CB 3.28Å; P135-S138 WeakPolarHBondContact O-CB 3.43Å; P135-S138 PolarHBondContact O-N 3.11Å; P135-S138 VanDerWaalsContact O-N 3.14Å; P135-S138 PolarHBondContact O-OG 2.71Å; P136-S138 PolarHBondContact O-N 2.6Å; S138-L140 PolarHBondContact O-N 2.79Å; S138-A141 WeakPolarHBondContact O-CB 3.33Å; S138-A141 PolarHBondContact O-N 3.1Å; S138-A141 WeakPolarHBondContact OG-CB 3.24Å; S138-A141 PolarHBondContact OG-N 3.2Å; S138-F142 PolarHBondContact O-N 3.09Å | ||
| 139 | D | 79.4 | Confident | 81 | Confident | 118 Ų | 118 | 99.4 Ų | 99.4 | 63% | 0.631 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -55.9 | -35.1 | 173.5 | -86.1 | 4.4 | 0 | 0 | 0 | 112.8 | F142 R143 | D139-F142 PolarHBondContact O-N 3.28Å; D139-R143 WeakPolarHBondContact O-CB 2.95Å; D139-R143 VanDerWaalsContact O-CG 3.28Å; D139-R143 WeakPolarHBondContact O-CG 3.48Å; D139-R143 PolarHBondContact O-N 3.27Å |
| 140 | L | 83.7 | Confident | 80.6 | Confident | 68 Ų | 68 | 102.1 Ų | 102.1 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 176.4 | -64.3 | 177.7 | 0 | 0 | 0 | 111.1 | I122 F134 S138 R143 W144 | I122-L140 HydrophobicContact CD1-CD1 4.2Å; I122-L140 HydrophobicContact CD1-CD2 4Å; F134-L140 HydrophobicContact CB-CB 4.05Å; F134-L140 HydrophobicContact CD1-CB 3.97Å; F134-L140 HydrophobicContact CD1-CD1 4.14Å; F134-L140 HydrophobicContact CD2-CB 3.84Å; F134-L140 HydrophobicContact CE1-CB 4.44Å; F134-L140 HydrophobicContact CE1-CD1 4.31Å; F134-L140 HydrophobicContact CE2-CB 4.3Å; F134-L140 HydrophobicContact CG-CB 3.66Å; S138-L140 PolarHBondContact O-N 2.79Å; L140-R143 PolarHBondContact O-N 3.05Å; L140-W144 VanDerWaalsContact O-CB 3.26Å; L140-W144 WeakPolarHBondContact O-CB 3.36Å; L140-W144 PolarHBondContact O-N 2.81Å |
| 141 | A | 85.3 | Confident | 80.5 | Confident | 6 Ų | 6 | 99.6 Ų | 99.6 | 5% | 0.05 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F134 P135 S138 W144 H145 | F134-A141 HydrophobicContact CB-CB 3.97Å; P135-A141 WeakPolarHBondContact O-CB 3.44Å; S138-A141 WeakPolarHBondContact O-CB 3.33Å; S138-A141 PolarHBondContact O-N 3.1Å; S138-A141 WeakPolarHBondContact OG-CB 3.24Å; S138-A141 PolarHBondContact OG-N 3.2Å; A141-W144 PolarHBondContact O-N 3.01Å; A141-H145 PolarHBondContact O-N 3.4Å; A141-H145 PolarHBondContact O-ND1 3.35Å |
| 142 | F | 83 | Confident | 79.5 | Confident | 150 Ų | 150 | 93.8 Ų | 93.8 | 66% | 0.658 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.8 | -48.3 | 177.4 | -172.3 | -92 | 0 | 0 | 0 | 111.8 | S138 D139 W144 H145 F146 | S138-F142 PolarHBondContact O-N 3.09Å; D139-F142 PolarHBondContact O-N 3.28Å; F142-W144 PolarHBondContact O-N 3.41Å; F142-H145 PolarHBondContact O-N 3.3Å; F142-F146 WeakPolarHBondContact O-CB 3.47Å; F142-F146 PolarHBondContact O-N 3.48Å |
| 143 | R | 83.8 | Confident | 77.9 | Confident | 157 Ų | 157 | 97.9 Ų | 97.9 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.7 | -39.4 | 177.7 | -70 | 173.3 | -171.3 | -168.3 | 3.4 | 112.4 | D139 L140 F146 I147 | D139-R143 WeakPolarHBondContact O-CB 2.95Å; D139-R143 VanDerWaalsContact O-CG 3.28Å; D139-R143 WeakPolarHBondContact O-CG 3.48Å; D139-R143 PolarHBondContact O-N 3.27Å; L140-R143 PolarHBondContact O-N 3.05Å; R143-F146 PolarHBondContact O-N 2.9Å; R143-I147 VanDerWaalsContact O-CG1 3.29Å; R143-I147 WeakPolarHBondContact O-CG1 3.25Å; R143-I147 PolarHBondContact O-N 3.11Å |
| 144 | W | 87.4 | Confident | 76.2 | Confident | 10 Ų | 10 | 102.8 Ų | 102.8 | 4% | 0.038 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 175.8 | -174.8 | 98.9 | 0 | 0 | 0 | 112 | E126 L129 C132 F134 L140 A141 F142 F146 I147 K148 | E126-W144 PolarHBondContact O-NE1 3.4Å; L129-W144 HydrophobicContact CB-CZ2 4.41Å; L129-W144 WeakPolarHBondContact O-CZ2 3.34Å; C132-W144 HydrophobicContact CB-CD2 3.92Å; C132-W144 HydrophobicContact CB-CE3 3.51Å; C132-W144 HydrophobicContact CB-CH2 4.01Å; C132-W144 HydrophobicContact CB-CZ2 4.34Å; C132-W144 HydrophobicContact CB-CZ3 3.58Å; C132-W144 VanDerWaalsContact N-CH2 3.32Å; C132-W144 VanDerWaalsContact SG-CD2 3.58Å; C132-W144 VanDerWaalsContact SG-CE3 3.56Å; F134-W144 HydrophobicContact CD2-CB 3.95Å; F134-W144 HydrophobicContact CD2-CG 4.22Å; F134-W144 HydrophobicContact CE2-CB 4.04Å; F134-W144 AromaticContact CE2-CD1 3.72Å; F134-W144 HydrophobicContact CE2-CG 4.15Å; L140-W144 VanDerWaalsContact O-CB 3.26Å; L140-W144 WeakPolarHBondContact O-CB 3.36Å; L140-W144 PolarHBondContact O-N 2.81Å; A141-W144 PolarHBondContact O-N 3.01Å; F142-W144 PolarHBondContact O-N 3.41Å; W144-F146 VanDerWaalsContact C-N 3.32Å; W144-F146 PolarHBondContact O-N 2.86Å; W144-I147 PolarHBondContact O-N 3.01Å; W144-K148 HydrophobicContact CH2-CD 3.66Å; W144-K148 HydrophobicContact CZ2-CD 4.19Å; W144-K148 HydrophobicContact CZ3-CD 3.98Å; W144-K148 WeakPolarHBondContact O-CB 3.48Å; W144-K148 PolarHBondContact O-N 2.68Å |
| 145 | H | 85.3 | Confident | 74 | Confident | 93 Ų | 93 | 107.6 Ų | 107.6 | 43% | 0.431 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.3 | -31.7 | 176.4 | -70.9 | 91.1 | 0 | 0 | 0 | 112.5 | C132 A141 F142 R149 | C132-H145 VanDerWaalsContact CB-CE1 3.43Å; C132-H145 WeakPolarHBondContact CB-CE1 3Å; A141-H145 PolarHBondContact O-N 3.4Å; A141-H145 PolarHBondContact O-ND1 3.35Å; F142-H145 PolarHBondContact O-N 3.3Å; H145-R149 WeakPolarHBondContact O-CG 3.27Å; H145-R149 PolarHBondContact O-N 2.73Å; H145-R149 VanDerWaalsContact O-N 3.15Å |
| 146 | F | 83.6 | Confident | 71.9 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -49.6 | 173 | -173.1 | -91.5 | 0 | 0 | 0 | 111.2 | F142 R143 W144 K148 R149 H150 | F142-F146 WeakPolarHBondContact O-CB 3.47Å; F142-F146 PolarHBondContact O-N 3.48Å; R143-F146 PolarHBondContact O-N 2.9Å; W144-F146 VanDerWaalsContact C-N 3.32Å; W144-F146 PolarHBondContact O-N 2.86Å; F146-K148 PolarHBondContact O-N 3.09Å; F146-R149 PolarHBondContact O-N 2.97Å; F146-H150 AromaticContact CE1-CD2 3.7Å; F146-H150 AromaticContact CE2-NE2 3.74Å; F146-H150 AromaticContact CZ-CD2 3.68Å; F146-H150 AromaticContact CZ-NE2 3.55Å; F146-H150 PolarHBondContact O-CD2 3.29Å; F146-H150 PolarHBondContact O-N 3.23Å |
| 147 | I | 83.4 | Confident | 69.9 | Low | 69 Ų | 69 | 110.9 Ų | 110.9 | 35% | 0.354 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -55.9 | -53.3 | 174.7 | -68.1 | 163 | 0 | 0 | 0 | 109.9 | R143 W144 R149 H150 T151 | R143-I147 VanDerWaalsContact O-CG1 3.29Å; R143-I147 WeakPolarHBondContact O-CG1 3.25Å; R143-I147 PolarHBondContact O-N 3.11Å; W144-I147 PolarHBondContact O-N 3.01Å; I147-R149 PolarHBondContact O-N 2.9Å; I147-R149 VanDerWaalsContact O-N 3.13Å; I147-H150 CarbonylContact O-C 3.51Å; I147-H150 WeakPolarHBondContact O-CA 3.39Å; I147-H150 PolarHBondContact O-N 2.73Å; I147-T151 HydrophobicContact CG2-CG2 3.9Å; I147-T151 PolarHBondContact O-N 3.27Å; I147-T151 PolarHBondContact O-OG1 3.11Å; I147-T151 VanDerWaalsContact O-OG1 3.1Å |
| 148 | K | 82.2 | Confident | 67.8 | Low | 62 Ų | 62 | 103.7 Ų | 103.7 | 27% | 0.27 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -22.2 | -176.5 | -168.6 | 162.5 | -173.6 | 170.6 | 0 | 114.3 | L129 D130 W144 F146 A152 | L129-K148 PolarHBondContact O-NZ 2.8Å; D130-K148 VanDerWaalsContact CA-NZ 3.32Å; D130-K148 PolarHBondContact O-NZ 3.13Å; D130-K148 IonicContact OD1-NZ 2.71Å; D130-K148 PolarHBondContact OD1-NZ 2.7Å; W144-K148 HydrophobicContact CH2-CD 3.66Å; W144-K148 HydrophobicContact CZ2-CD 4.19Å; W144-K148 HydrophobicContact CZ3-CD 3.98Å; W144-K148 WeakPolarHBondContact O-CB 3.48Å; W144-K148 PolarHBondContact O-N 2.68Å; F146-K148 PolarHBondContact O-N 3.09Å; K148-A152 PolarHBondContact O-N 2.89Å |
| 149 | R | 78.3 | Confident | 65.4 | Low | 207 Ų | 207 | 110.7 Ų | 110.7 | 78% | 0.781 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.4 | -27.5 | 170.3 | -78.3 | 173.9 | 175.9 | -174.9 | -1.8 | 113.7 | H145 F146 I147 | H145-R149 WeakPolarHBondContact O-CG 3.27Å; H145-R149 PolarHBondContact O-N 2.73Å; H145-R149 VanDerWaalsContact O-N 3.15Å; F146-R149 PolarHBondContact O-N 2.97Å; I147-R149 PolarHBondContact O-N 2.9Å; I147-R149 VanDerWaalsContact O-N 3.13Å |
| 150 | H | 67.6 | Low | 63 | Low | 135 Ų | 135 | 114.3 Ų | 114.3 | 63% | 0.625 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -102.2 | -10.7 | -179.3 | -71.2 | -70.6 | 0 | 0 | 0 | 113.7 | F146 I147 | F146-H150 AromaticContact CE1-CD2 3.7Å; F146-H150 AromaticContact CE2-NE2 3.74Å; F146-H150 AromaticContact CZ-CD2 3.68Å; F146-H150 AromaticContact CZ-NE2 3.55Å; F146-H150 PolarHBondContact O-CD2 3.29Å; F146-H150 PolarHBondContact O-N 3.23Å; I147-H150 CarbonylContact O-C 3.51Å; I147-H150 WeakPolarHBondContact O-CA 3.39Å; I147-H150 PolarHBondContact O-N 2.73Å |
| 151 | T | 71.8 | Confident | 60.4 | Low | 89 Ų | 89 | 121.9 Ų | 121.9 | 55% | 0.546 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -110.3 | 2.7 | 175 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | I147 | I147-T151 HydrophobicContact CG2-CG2 3.9Å; I147-T151 PolarHBondContact O-N 3.27Å; I147-T151 PolarHBondContact O-OG1 3.11Å; I147-T151 VanDerWaalsContact O-OG1 3.1Å |
| 152 | A | 57.9 | Low | 57.6 | Low | 60 Ų | 60 | 128.2 Ų | 128.2 | 50% | 0.496 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -62.8 | 130.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K148 I154 | K148-A152 PolarHBondContact O-N 2.89Å; A152-I154 PolarHBondContact O-N 2.79Å |
| 153 | P | 49.2 | Very low | 55 | Low | 121 Ų | 121 | 125.2 Ų | 125.2 | 79% | 0.786 | 64% | 0.639 | S | S | * | * | trans | -58.3 | 133.8 | 177.7 | -25.1 | 34.4 | 0 | 0 | 0 | 111.5 | N155 | P153-N155 PolarHBondContact O-N 2.84Å; P153-N155 VanDerWaalsContact O-N 3.09Å | ||
| 154 | I | 44.6 | Very low | 52.3 | Low | 164 Ų | 164 | 123.5 Ų | 123.5 | 84% | 0.841 | 65% | 0.646 | S | S | * | * | trans | -63.7 | 112.4 | 166.1 | -63.3 | 173.5 | 0 | 0 | 0 | 106.5 | A152 S156 | A152-I154 PolarHBondContact O-N 2.79Å; I154-S156 PolarHBondContact O-N 3Å | ||
| 155 | N | 37.2 | Very low | 49.3 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | trans | -67.6 | 103.5 | 180 | -179.4 | 22 | 0 | 0 | 0 | 109.1 | P153 K157 | P153-N155 PolarHBondContact O-N 2.84Å; P153-N155 VanDerWaalsContact O-N 3.09Å; N155-K157 VanDerWaalsContact C-N 3.33Å; N155-K157 PolarHBondContact O-N 3.05Å | ||
| 156 | S | 37.3 | Very low | 46.5 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -73.2 | 82.1 | -174.9 | 57 | 0 | 0 | 0 | 0 | 111.7 | I154 | I154-S156 PolarHBondContact O-N 3Š| ||
| 157 | K | 30 | Very low | 43.8 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | -146.5 | 133.1 | 162.8 | -62.2 | -171.9 | 180 | -169.9 | 0 | 109.1 | N155 | N155-K157 VanDerWaalsContact C-N 3.33Å; N155-K157 PolarHBondContact O-N 3.05Å | ||
| 158 | S | 31.7 | Very low | 41 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | cis | -171.6 | 109.6 | -17.5 | 40.1 | 0 | 0 | 0 | 0 | 106.3 | E160 | S158-E160 PolarHBondContact O-N 3.19Š| ||
| 159 | D | 31.2 | Very low | 38.2 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 96% | 0.957 | 75% | 0.748 | S | S | * | * | trans | -86.3 | 109.4 | 177.3 | -70.3 | -42.8 | 0 | 0 | 0 | 110.3 | ||||
| 160 | E | 28.9 | Very low | 35.8 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | trans | -141.7 | 152.9 | 155.9 | -164.1 | 159.3 | -161.4 | 0 | 0 | 110.1 | S158 | S158-E160 PolarHBondContact O-N 3.19Š| ||
| 161 | W | 29.1 | Very low | 34.1 | Very low | 228 Ų | 228 | 136.4 Ų | 136.4 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -79.9 | 150.8 | -161.3 | -138.2 | -59.7 | 0 | 0 | 0 | 113.2 | ||||
| 162 | V | 26.6 | Very low | 32.1 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | -178.6 | 150.8 | 128.2 | 145.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 163 | S | 28.3 | Very low | 30.7 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | -94.8 | 179.1 | -171.9 | -53.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 164 | T | 26.1 | Very low | 29.8 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 105.8 | 113.1 | 142.8 | -51.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 165 | D | 24.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 142 Ų | 142 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 59.1 | 126.2 | 143.3 | -61.9 | -7.1 | 0 | 0 | 0 | 126.6 | ||||
| 166 | L | 26.6 | Very low | 28.8 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | 63.6 | 146.5 | 132.9 | -87 | 85 | 0 | 0 | 0 | 124.8 | ||||
| 167 | S | 26.7 | Very low | 28.5 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 79.3 | 121.4 | 156.9 | 74.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 168 | Q | 25.3 | Very low | 28.3 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | 66.9 | 135.8 | 100.8 | -60.1 | 179.8 | 9.1 | 0 | 0 | 113 | |||||
| 169 | T | 24.2 | Very low | 28.1 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | cis | -150.3 | 167 | 25.2 | -39.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 170 | E | 27.2 | Very low | 28 | Very low | 155 Ų | 155 | 148.1 Ų | 148.1 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | -21.9 | 166.4 | 166 | -52.9 | -179.8 | 141.3 | 0 | 0 | 120 | ||||
| 171 | L | 31.8 | Very low | 28 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | cis | -155.9 | 142.4 | 39.2 | -80.1 | 165.6 | 0 | 0 | 0 | 114.5 | ||||
| 172 | R | 29.8 | Very low | 28 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | 53.4 | 147.8 | 132.4 | -64.9 | -173.1 | 178.5 | -72.7 | -9.7 | 122 | ||||
| 173 | D | 28.4 | Very low | 28.1 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | cis | -155.2 | 153.3 | -5.3 | -124.8 | -32.3 | 0 | 0 | 0 | 113.7 | ||||
| 174 | G | 30.8 | Very low | 27.9 | Very low | 59 Ų | 59 | 142.6 Ų | 142.6 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | 54.2 | 136.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 175 | Q | 31.3 | Very low | 27.9 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | cis | -166 | 179.8 | 8.8 | -117.1 | 171.8 | 104 | 0 | 0 | 108.2 | ||||
| 176 | L | 29.8 | Very low | 27.8 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | cis | -148 | -93.7 | 22 | -146.4 | 174.9 | 0 | 0 | 0 | 114.9 | ||||
| 177 | K | 29.3 | Very low | 27.7 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | trans | -133.6 | 164.5 | -173.9 | -83.2 | 168.2 | -176.3 | 170.4 | 0 | 108.9 | ||||
| 178 | L | 27.8 | Very low | 27.6 | Very low | 147 Ų | 147 | 144 Ų | 144 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | cis | -153.3 | 151.4 | 22.9 | -139.4 | 145.5 | 0 | 0 | 0 | 112.4 | ||||
| 179 | R | 25.8 | Very low | 27.6 | Very low | 205 Ų | 205 | 140 Ų | 140 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | trans | -18.9 | 141.8 | 178.2 | -62.8 | 177.5 | 169.7 | -165.6 | -7.1 | 120.9 | ||||
| 180 | N | 29.9 | Very low | 27.7 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | trans | -105.2 | 155.3 | 134.8 | -83.5 | -16.2 | 0 | 0 | 0 | 109.6 | ||||
| 181 | M | 29.8 | Very low | 27.7 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 66% | 0.655 | 71% | 0.711 | S | S | * | * | trans | -170.2 | 148.1 | 170.8 | -121.8 | 105.7 | 174.8 | 0 | 0 | 105.1 | ||||
| 182 | E | 28.8 | Very low | 27.2 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 62% | 0.621 | 72% | 0.718 | S | S | * | * | cis | -155.5 | 146.1 | 0.7 | -125.8 | 147.7 | -160.4 | 0 | 0 | 105.1 | ||||
| 183 | E | 27.4 | Very low | 27 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | 58.6 | 150.9 | 101.5 | -66.4 | -166.5 | -165.5 | 0 | 0 | 116.8 | |||||
| 184 | N | 24.8 | Very low | 26.8 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | cis | -146.5 | 149.4 | -4.1 | -100.7 | -30.6 | 0 | 0 | 0 | 107.5 | ||||
| 185 | I | 25 | Very low | 27.2 | Very low | 136 Ų | 136 | 143 Ų | 143 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | 68.7 | 109 | 66.9 | -60.3 | -176.6 | 0 | 0 | 0 | 115 | |||||
| 186 | N | 24.2 | Very low | 26.8 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 64.6 | 166.1 | 155.7 | -69.7 | -5.3 | 0 | 0 | 0 | 118.1 | ||||
| 187 | C | 23.3 | Very low | 26.6 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | cis | -147.5 | 175.9 | 21.3 | -148 | 0 | 0 | 0 | 0 | 116 | ||||
| 188 | F | 24.2 | Very low | 26.5 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -48.9 | 170.6 | 171.3 | -68.1 | -117.5 | 0 | 0 | 0 | 113.4 | ||||
| 189 | S | 27 | Very low | 26.3 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | cis | -170.2 | 156.7 | 37.7 | -24.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 190 | H | 25.8 | Very low | 26.4 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 42.9 | 147.3 | 132.5 | -55.4 | -36.6 | 0 | 0 | 0 | 122.1 | ||||
| 191 | T | 26.2 | Very low | 26.3 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | cis | -168.5 | 142.9 | 1.5 | 12.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 192 | N | 22.8 | Very low | 26.2 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | trans | 73.1 | 163.3 | 131.2 | -156.5 | 25.5 | 0 | 0 | 0 | 122.9 | ||||
| 193 | V | 25.4 | Very low | 26.1 | Very low | 128 Ų | 128 | 130 Ų | 130 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | 88.3 | 143.3 | 169 | -165.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 194 | Q | 23.7 | Very low | 26.1 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -133.2 | -158.4 | -164.5 | -157.9 | -156.7 | 5.9 | 0 | 0 | 110.6 | ||||
| 195 | P | 39.6 | Very low | 26 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | -87.3 | 175.8 | -117.1 | 41.2 | -29.9 | 0 | 0 | 0 | 115.4 | |||||
| 196 | C | 22.8 | Very low | 26 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 89% | 0.892 | 75% | 0.751 | S | S | * | * | trans | -151.1 | 163.9 | 155.9 | -146.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 197 | V | 25 | Very low | 25.9 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | -113.4 | 147.9 | -177.4 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 198 | I | 28.1 | Very low | 26 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | -137.5 | 147.2 | 163.9 | -60.1 | -176.2 | 0 | 0 | 0 | 109.9 | ||||
| 199 | T | 22.5 | Very low | 26.9 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | trans | -136 | 176.4 | -178.4 | -35.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 200 | T | 29.1 | Very low | 27 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 70 | 149 | 162.5 | 60.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 201 | D | 26.1 | Very low | 27 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | cis | -164.2 | 158.2 | -3.5 | -117.3 | 1.7 | 0 | 0 | 0 | 117.8 | ||||
| 202 | N | 29.3 | Very low | 26.9 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 78.3 | 149.1 | 136.6 | -76.3 | -38.9 | 0 | 0 | 0 | 128.9 | ||||
| 203 | A | 26.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | 84.3 | 145.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 204 | L | 25.6 | Very low | 27.2 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | cis | -171.2 | 146.2 | -23.6 | 174.7 | 62.1 | 0 | 0 | 0 | 110.9 | ||||
| 205 | C | 23.1 | Very low | 27.4 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 146.9 | 123.4 | 149.7 | -82.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 206 | R | 25.1 | Very low | 26.8 | Very low | 212 Ų | 212 | 132.6 Ų | 132.6 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | 62.3 | 122.1 | 62.7 | -108.4 | -170.5 | -179.2 | -114.9 | 3.8 | 112.7 | |||||
| 207 | E | 22.2 | Very low | 27.1 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | cis | -153.4 | -172.5 | 43.2 | -64.3 | -156 | 123 | 0 | 0 | 115.1 | ||||
| 208 | D | 26.3 | Very low | 27.2 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -155.7 | 164.6 | -178.2 | -133.3 | -13.2 | 0 | 0 | 0 | 106 | ||||
| 209 | P | 43.3 | Very low | 27.3 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | cis | -158.7 | -168 | 34.8 | 45.9 | -22.5 | 0 | 0 | 0 | 119.7 | ||||
| 210 | M | 28.8 | Very low | 27.5 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | 95.1 | 133.3 | 137.6 | -82.3 | -52.4 | 173.4 | 0 | 0 | 126.4 | ||||
| 211 | T | 25.6 | Very low | 27.5 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 81.4 | 125.8 | 140 | 46.2 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 212 | G | 24.4 | Very low | 27.6 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | 107.9 | 150.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 213 | S | 27.2 | Very low | 27.8 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | cis | -168.2 | 114.7 | -15 | -165.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 214 | V | 26.1 | Very low | 28.2 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | 62.6 | 159.2 | 134.5 | -168.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 215 | M | 28.8 | Very low | 28.5 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 85.1 | 144.6 | 169.8 | -53.8 | -167.2 | -159.5 | 0 | 0 | 116.7 | ||||
| 216 | N | 27.2 | Very low | 29 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | -169.1 | 169 | -9.3 | -95.6 | -12.6 | 0 | 0 | 0 | 107 | ||||
| 217 | L | 29.1 | Very low | 29.6 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 71% | 0.707 | 75% | 0.753 | S | S | * | * | cis | -154.7 | 133.2 | -2.7 | -137.5 | 90.3 | 0 | 0 | 0 | 105.6 | ||||
| 218 | V | 26.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 66.4 | 137.4 | 90.8 | -179.3 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 219 | S | 29.6 | Very low | 30.6 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 80 | 143 | 163.4 | -76.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 220 | N | 27.1 | Very low | 30.5 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | cis | -170.9 | 145.8 | -21.9 | -114.1 | 4.1 | 0 | 0 | 0 | 110.9 | ||||
| 221 | N | 28.3 | Very low | 30.9 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 152.3 | 150.9 | -60.5 | 3.2 | 0 | 0 | 0 | 119.7 | ||||
| 222 | S | 28 | Very low | 31.5 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -171.5 | 148.9 | -17.7 | 48.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 223 | I | 34.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 34 | 126.8 | 134.6 | -46.1 | 173.4 | 0 | 0 | 0 | 116.1 | ||||
| 224 | E | 34.3 | Very low | 32.8 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | -145.7 | 174.3 | 66.3 | -35.9 | -165.1 | 137.5 | 0 | 0 | 115.7 | |||||
| 225 | D | 32.6 | Very low | 32.9 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -89.6 | 159.6 | -155.8 | -44.6 | -67 | 0 | 0 | 0 | 117.6 | ||||
| 226 | S | 34.7 | Very low | 33.2 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -172.3 | 147.9 | 130.2 | 17.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 227 | D | 36.8 | Very low | 33.5 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -82.6 | 158.7 | -168.4 | -43.7 | -94.8 | 0 | 0 | 0 | 115.6 | ||||
| 228 | M | 37.1 | Very low | 33.4 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -168.8 | 90.8 | 136.3 | -103.2 | -63.3 | 156.6 | 0 | 0 | 113.3 | ||||
| 229 | D | 33 | Very low | 34.1 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 36.7 | 138.7 | 140.7 | -138.7 | -25.4 | 0 | 0 | 0 | 124.7 | ||||
| 230 | S | 41.3 | Very low | 34.2 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 89.8 | 131.2 | 147.1 | -81.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 231 | D | 37.3 | Very low | 34.8 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -112 | 167.6 | -172 | -48.1 | -79.1 | 0 | 0 | 0 | 113.4 | ||||
| 232 | D | 37.9 | Very low | 35.4 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -159.4 | 115.3 | 145.2 | -120.2 | -25.1 | 0 | 0 | 0 | 109.6 | ||||
| 233 | E | 38.2 | Very low | 36.1 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -108.3 | 153.8 | -174.1 | -96.9 | -152.7 | 139.3 | 0 | 0 | 115.3 | ||||
| 234 | I | 40 | Very low | 36 | Very low | 145 Ų | 145 | 157.2 Ų | 157.2 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | trans | -75.7 | 139.7 | 177.2 | -64 | 163.3 | 0 | 0 | 0 | 110.7 | ||||
| 235 | L | 28.9 | Very low | 35.8 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -146.5 | 147.8 | 147.3 | -141.3 | 71.2 | 0 | 0 | 0 | 114.9 | ||||
| 236 | T | 33.7 | Very low | 36.2 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 66% | 0.663 | 83% | 0.825 | S | S | * | * | trans | -111.3 | 151.1 | -175.5 | -51 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 237 | L | 34.3 | Very low | 36.2 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | 154.4 | 127.1 | 127.3 | -80.2 | 167.6 | 0 | 0 | 0 | 116.3 | |||||
| 238 | C | 27.7 | Very low | 36.2 | Very low | 101 Ų | 101 | 156.2 Ų | 156.2 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | trans | 43.2 | 108.7 | 132.6 | -63.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 239 | T | 41 | Very low | 36 | Very low | 138 Ų | 138 | 159 Ų | 159 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | 37.9 | 120.2 | 122.3 | 60.5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 240 | S | 31.4 | Very low | 36.4 | Very low | 119 Ų | 119 | 159.1 Ų | 159.1 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -147.7 | 147.6 | 140.4 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 241 | S | 40.7 | Very low | 36 | Very low | 125 Ų | 125 | 161.5 Ų | 161.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -97 | 131.9 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 242 | R | 39.3 | Very low | 35.7 | Very low | 258 Ų | 258 | 160.3 Ų | 160.3 | 97% | 0.974 | 80% | 0.803 | S | S | * | * | trans | -134.9 | 147.2 | 161.9 | -95.4 | -175.7 | 174 | -175.7 | -0.9 | 112.6 | ||||
| 243 | K | 43.3 | Very low | 35.7 | Very low | 202 Ų | 202 | 160.2 Ų | 160.2 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | -115.3 | 113.6 | -163 | 171.3 | -173.6 | -179 | 178.8 | 0 | 109.9 | ||||
| 244 | R | 32.9 | Very low | 35.9 | Very low | 220 Ų | 220 | 160 Ų | 160 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -161.4 | 138.2 | 163.8 | -120 | 179.5 | 154.1 | 79.3 | -0.8 | 114.1 | ||||
| 245 | N | 29.9 | Very low | 35.9 | Very low | 131 Ų | 131 | 160.7 Ų | 160.7 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 54.4 | 115.1 | 151.2 | -60.1 | 1.2 | 0 | 0 | 0 | 120.5 | ||||
| 246 | K | 40 | Very low | 36.5 | Very low | 202 Ų | 202 | 160.6 Ų | 160.6 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -69.6 | 134.1 | 153.4 | -60.6 | 179.7 | 177.4 | -174.7 | 0 | 109.6 | ||||
| 247 | P | 35.8 | Very low | 37 | Very low | 103 Ų | 103 | 164.4 Ų | 164.4 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 138.2 | 149.9 | -9 | 26.4 | 0 | 0 | 0 | 108.7 | ||||
| 248 | K | 37.5 | Very low | 37.5 | Very low | 151 Ų | 151 | 165.4 Ų | 165.4 | 66% | 0.657 | 82% | 0.82 | S | S | * | * | trans | -104.4 | 116 | 165.9 | -168.7 | -162.1 | -167.9 | -155.2 | 0 | 107.3 | E250 | K248-E250 WeakPolarHBondContact CE-OE1 3.17Å; K248-E250 WeakPolarHBondContact CE-OE2 3.2Å; K248-E250 IonicContact NZ-OE1 3.09Å; K248-E250 PolarHBondContact NZ-OE1 2.97Å; K248-E250 IonicContact NZ-OE2 3.46Å; K248-E250 PolarHBondContact NZ-OE2 2.82Å | ||
| 249 | W | 32 | Very low | 38.1 | Very low | 241 Ų | 241 | 169.4 Ų | 169.4 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | -121.3 | 106.1 | 168.9 | -63.3 | 115.6 | 0 | 0 | 0 | 107.7 | ||||
| 250 | E | 40.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 168.6 Ų | 168.6 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | -109.7 | 109.6 | 161.4 | -77.8 | 166.2 | -178.9 | 0 | 0 | 105.5 | K248 | K248-E250 WeakPolarHBondContact CE-OE1 3.17Å; K248-E250 WeakPolarHBondContact CE-OE2 3.2Å; K248-E250 IonicContact NZ-OE1 3.09Å; K248-E250 PolarHBondContact NZ-OE1 2.97Å; K248-E250 IonicContact NZ-OE2 3.46Å; K248-E250 PolarHBondContact NZ-OE2 2.82Å | ||
| 251 | L | 33.6 | Very low | 39.1 | Very low | 154 Ų | 154 | 168.2 Ų | 168.2 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -161.9 | 140 | 161 | -149.7 | 53.3 | 0 | 0 | 0 | 110.5 | ||||
| 252 | D | 31.1 | Very low | 39.6 | Very low | 131 Ų | 131 | 165.9 Ų | 165.9 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 60.3 | 84.5 | 165.7 | -53.6 | -22.2 | 0 | 0 | 0 | 119.5 | E254 | D252-E254 VanDerWaalsContact C-N 3.28Å; D252-E254 PolarHBondContact O-N 2.93Å | ||
| 253 | D | 37.1 | Very low | 40.2 | Very low | 172 Ų | 172 | 162.5 Ų | 162.5 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 11.2 | 172.1 | -86.3 | -57.7 | 0 | 0 | 0 | 115.2 | ||
| 254 | E | 43.3 | Very low | 40.5 | Very low | 191 Ų | 191 | 159 Ų | 159 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 7.8 | -167.3 | -69.1 | -159.1 | 138.9 | 0 | 0 | 117.1 | D252 | D252-E254 VanDerWaalsContact C-N 3.28Å; D252-E254 PolarHBondContact O-N 2.93Å |
| 255 | I | 40.3 | Very low | 41.8 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -130.1 | 37.6 | 177.8 | -32.6 | -179 | 0 | 0 | 0 | 113.5 | ||
| 256 | L | 40.9 | Very low | 43.3 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | trans | -136.4 | 37.4 | 178.8 | -74.3 | 178.2 | 0 | 0 | 0 | 114.7 | ||||
| 257 | Q | 43.6 | Very low | 44.6 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | -119.6 | 144.5 | 162.5 | -63.8 | -166.1 | 19.3 | 0 | 0 | 110.6 | ||||
| 258 | L | 46.4 | Very low | 46.4 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 90% | 0.901 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 69.5 | 60.8 | -178 | -62.8 | 161 | 0 | 0 | 0 | 116.7 | ||
| 259 | E | 39.1 | Very low | 48.4 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | -139.8 | 113.4 | 114 | -78.7 | -150.8 | 157.6 | 0 | 0 | 109.9 | |||||
| 260 | T | 47.4 | Very low | 51 | Low | 121 Ų | 121 | 133.6 Ų | 133.6 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 131.8 | 162.5 | 52.1 | 0 | 0 | 0 | 0 | 108.3 | ||
| 261 | P | 45.3 | Very low | 53.3 | Low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57 | 131.8 | -178.3 | 22.9 | -33.5 | 0 | 0 | 0 | 110.3 | K263 | P261-K263 PolarHBondContact O-N 3.44Š|
| 262 | P | 52.2 | Low | 56.1 | Low | 75 Ų | 75 | 125.6 Ų | 125.6 | 49% | 0.487 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 127.5 | -173.7 | 16.9 | -30.4 | 0 | 0 | 0 | 111.5 | Y264 | P262-Y264 HydrophobicContact CB-CE1 4.25Å; P262-Y264 HydrophobicContact CB-CE2 4.36Å; P262-Y264 HydrophobicContact CG-CE1 4.19Å; P262-Y264 HydrophobicContact CG-CE2 3.81Å; P262-Y264 WeakPolarHBondContact CG-OH 3.34Å; P262-Y264 VanDerWaalsContact O-CD2 3.3Å; P262-Y264 WeakPolarHBondContact O-CD2 3.32Å; P262-Y264 PolarHBondContact O-N 2.73Å |
| 263 | K | 51.2 | Low | 59 | Low | 187 Ų | 187 | 120.6 Ų | 120.6 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | trans | -77 | 70.9 | -179.2 | -70.4 | 178.3 | -179.8 | 169.3 | 0 | 110.6 | P261 H265 | P261-K263 PolarHBondContact O-N 3.44Å; K263-H265 PolarHBondContact O-N 2.89Å | ||
| 264 | Y | 49.8 | Very low | 61.8 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 50% | 0.502 | 57% | 0.571 | S | S | . | * | trans | -54 | 111.6 | 174.9 | -58.8 | -67.5 | 0 | 0 | 0 | 110.6 | P262 | P262-Y264 HydrophobicContact CB-CE1 4.25Å; P262-Y264 HydrophobicContact CB-CE2 4.36Å; P262-Y264 HydrophobicContact CG-CE1 4.19Å; P262-Y264 HydrophobicContact CG-CE2 3.81Å; P262-Y264 WeakPolarHBondContact CG-OH 3.34Å; P262-Y264 VanDerWaalsContact O-CD2 3.3Å; P262-Y264 WeakPolarHBondContact O-CD2 3.32Å; P262-Y264 PolarHBondContact O-N 2.73Å | ||
| 265 | H | 59.9 | Low | 64.2 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.546 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 107.4 | 171.9 | -170.7 | 82.9 | 0 | 0 | 0 | 109 | K263 Q267 I433 | K263-H265 PolarHBondContact O-N 2.89Å; H265-Q267 PolarHBondContact O-N 2.93Å; H265-I433 HydrophobicContact CB-CB 4.37Å; H265-I433 PolarHBondContact N-O 3.49Å; H265-I433 PolarHBondContact O-N 2.91Å |
| 266 | T | 62.3 | Low | 66.6 | Low | 75 Ų | 75 | 100 Ų | 100 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 100.2 | 176 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | V430 L431 R432 | T266-V430 HydrophobicContact CG2-CG1 3.98Å; T266-L431 WeakPolarHBondContact CA-O 3.46Å; T266-R432 HydrophobicContact CG2-CG 4.16Å |
| 267 | Q | 67.1 | Low | 69.1 | Low | 83 Ų | 83 | 91.8 Ų | 91.8 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133 | 168.7 | -174.7 | 171.2 | -42.2 | 0 | 0 | 109.4 | H265 D269 V430 L431 | H265-Q267 PolarHBondContact O-N 2.93Å; Q267-D269 PolarHBondContact NE2-OD1 2.86Å; Q267-V430 CarbonylContact O-C 3.57Å; Q267-V430 WeakPolarHBondContact O-CA 3.5Å; Q267-L431 PolarHBondContact N-O 2.89Å; Q267-L431 PolarHBondContact O-N 3.49Å |
| 268 | I | 73.7 | Confident | 71.5 | Confident | 71 Ų | 71 | 83 Ų | 83 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 109.3 | 176.6 | -51.4 | -177.6 | 0 | 0 | 0 | 108 | Y270 K427 V430 | I268-Y270 HydrophobicContact CB-CE2 4.08Å; I268-Y270 HydrophobicContact CG2-CD2 4.37Å; I268-Y270 HydrophobicContact CG2-CE2 3.7Å; I268-Y270 WeakPolarHBondContact O-CD2 3.41Å; I268-Y270 WeakPolarHBondContact O-CE2 3.29Å; I268-K427 HydrophobicContact CG2-CG 4.3Å; I268-V430 HydrophobicContact CG1-CG1 4.35Å; I268-V430 HydrophobicContact CG1-CG2 4.17Å |
| 269 | D | 80.3 | Confident | 73.9 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.2 | 179.4 | -66.4 | -37.7 | 0 | 0 | 0 | 111.2 | Q267 V428 R429 | Q267-D269 PolarHBondContact NE2-OD1 2.86Å; D269-V428 PolarHBondContact O-N 2.87Å; D269-R429 PolarHBondContact N-O 2.94Å |
| 270 | Y | 85.7 | Confident | 76.6 | Confident | 104 Ų | 104 | 72.3 Ų | 72.3 | 41% | 0.408 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136 | -178.7 | -65.2 | -97.9 | 0 | 0 | 0 | 110.7 | I268 K425 S426 K427 | I268-Y270 HydrophobicContact CB-CE2 4.08Å; I268-Y270 HydrophobicContact CG2-CD2 4.37Å; I268-Y270 HydrophobicContact CG2-CE2 3.7Å; I268-Y270 WeakPolarHBondContact O-CD2 3.41Å; I268-Y270 WeakPolarHBondContact O-CE2 3.29Å; Y270-K425 HydrophobicContact CD1-CB 3.88Å; Y270-S426 CarbonylContact C-O 3.57Å; Y270-S426 VanDerWaalsContact CA-O 3.31Å; Y270-S426 WeakPolarHBondContact CA-O 3.29Å; Y270-K427 HydrophobicContact CD1-CG 3.77Å; Y270-K427 HydrophobicContact CE1-CD 4.1Å; Y270-K427 HydrophobicContact CE1-CG 3.38Å; Y270-K427 WeakPolarHBondContact OH-CE 3.47Å |
| 271 | V | 89.3 | Confident | 78.9 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 39% | 0.394 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.5 | 168.3 | 172.1 | 0 | 0 | 0 | 0 | 109 | K425 S426 V428 | V271-K425 CarbonylContact O-C 3.56Å; V271-S426 PolarHBondContact N-O 2.93Å; V271-S426 PolarHBondContact O-N 3.29Å; V271-V428 HydrophobicContact CB-CG2 3.7Å; V271-V428 HydrophobicContact CG2-CB 4.23Å; V271-V428 HydrophobicContact CG2-CG2 3.45Å; V271-V428 VanDerWaalsContact CG2-CG2 3.45Å |
| 272 | H | 91.4 | Very high | 81.3 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124 | 179.9 | -64.5 | -107.2 | 0 | 0 | 0 | 109.5 | Y403 H423 Y424 | H272-Y403 HydrophobicContact CB-CD1 3.64Å; H272-Y403 HydrophobicContact CB-CD2 3.99Å; H272-Y403 HydrophobicContact CB-CE1 3.4Å; H272-Y403 VanDerWaalsContact CB-CE1 3.4Å; H272-Y403 HydrophobicContact CB-CE2 3.78Å; H272-Y403 HydrophobicContact CB-CG 3.92Å; H272-Y403 VanDerWaalsContact CB-CZ 3.46Å; H272-Y403 AromaticContact CG-CZ 3.9Å; H272-Y403 VanDerWaalsContact O-CB 3.24Å; H272-Y403 WeakPolarHBondContact O-CB 2.88Å; H272-H423 AromaticContact CE1-NE2 3.63Å; H272-H423 AromaticContact CG-CD2 3.88Å; H272-H423 AromaticContact ND1-CD2 3.11Å; H272-H423 PolarHBondContact ND1-CD2 3.43Å; H272-H423 AromaticContact ND1-CE1 3.86Å; H272-H423 AromaticContact ND1-NE2 2.92Å; H272-H423 PolarHBondContact ND1-NE2 3.35Å; H272-Y424 WeakPolarHBondContact CA-O 3.4Å |
| 273 | C | 92.6 | Very high | 83.4 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.1 | -178.9 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | H423 Y424 | C273-H423 CarbonylContact O-C 3.54Å; C273-H423 WeakPolarHBondContact O-CA 2.95Å; C273-H423 VanDerWaalsContact O-CB 3.28Å; C273-H423 WeakPolarHBondContact O-CB 3.41Å; C273-Y424 HydrophobicContact CB-CD1 4.31Å; C273-Y424 HydrophobicContact CB-CD2 3.96Å; C273-Y424 HydrophobicContact CB-CE1 3.84Å; C273-Y424 HydrophobicContact CB-CE2 3.48Å; C273-Y424 VanDerWaalsContact CB-CE2 3.48Å; C273-Y424 HydrophobicContact CB-CG 4.39Å; C273-Y424 VanDerWaalsContact CB-CZ 3.42Å; C273-Y424 PolarHBondContact N-O 3.44Å; C273-Y424 WeakPolarHBondContact O-CD1 3.36Å; C273-Y424 PolarHBondContact O-N 3.21Å |
| 274 | L | 94.9 | Very high | 85.5 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 150.4 | 170.8 | -63.7 | 174.3 | 0 | 0 | 0 | 110 | C398 T401 Y403 I406 Y424 | L274-C398 HydrophobicContact CD1-CB 4.26Å; L274-T401 HydrophobicContact CD1-CG2 4.37Å; L274-Y403 HydrophobicContact CD2-CD2 4.03Å; L274-Y403 HydrophobicContact CG-CD2 4.43Å; L274-I406 HydrophobicContact CD1-CD1 3.96Å; L274-I406 HydrophobicContact CD2-CD1 4.02Å; L274-I406 HydrophobicContact CG-CD1 4.49Å; L274-Y424 WeakPolarHBondContact O-CE1 3.49Å |
| 275 | V | 94.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | trans | -64.5 | 124.2 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | D277 L278 I281 L319 F320 I357 Y422 | V275-D277 VanDerWaalsContact CG1-OD1 3.29Å; V275-D277 WeakPolarHBondContact CG1-OD1 3.41Å; V275-L278 HydrophobicContact CB-CB 4.22Å; V275-L278 HydrophobicContact CG1-CB 4.35Å; V275-I281 HydrophobicContact CG1-CD1 4.09Å; V275-L319 HydrophobicContact CG2-CD1 3.24Å; V275-F320 HydrophobicContact CG1-CE2 4.18Å; V275-F320 HydrophobicContact CG2-CE2 4.06Å; V275-I357 HydrophobicContact CG1-CD1 4.3Å; V275-Y422 PolarHBondContact N-O 3.4Å | ||
| 276 | P | 90.6 | Very high | 89.5 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -43 | -171.2 | 25.7 | -34 | 0 | 0 | 0 | 112.8 | L278 F342 D356 | P276-L278 PolarHBondContact O-N 2.78Å; P276-F342 HydrophobicContact CG-CE2 4.2Å; P276-D356 WeakPolarHBondContact CG-OD1 3.37Å |
| 277 | D | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 16.4 | -175.4 | 74 | -27.9 | 0 | 0 | 0 | 114 | V275 L279 Q280 I281 D356 I357 T358 | V275-D277 VanDerWaalsContact CG1-OD1 3.29Å; V275-D277 WeakPolarHBondContact CG1-OD1 3.41Å; D277-L279 CarbonylContact O-C 3.57Å; D277-L279 PolarHBondContact O-N 3.1Å; D277-Q280 HydrophobicContact CB-CB 4.18Å; D277-Q280 HydrophobicContact CB-CG 4.17Å; D277-Q280 CarbonylContact O-C 3.59Å; D277-Q280 WeakPolarHBondContact O-CA 3.36Å; D277-Q280 WeakPolarHBondContact O-CB 3.3Å; D277-Q280 PolarHBondContact O-N 3.41Å; D277-I281 PolarHBondContact O-N 3.47Å; D277-I281 WeakPolarHBondContact OD1-CD1 3.3Å; D277-D356 HydrophobicContact CB-CB 4.14Å; D277-I357 WeakPolarHBondContact OD2-CA 3.11Å; D277-I357 WeakPolarHBondContact OD2-CB 3.37Å; D277-I357 PolarHBondContact OD2-N 3.14Å; D277-T358 PolarHBondContact OD2-N 2.96Å |
| 278 | L | 95 | Very high | 92.6 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.1 | -32.2 | -173.5 | -175.9 | 64.2 | 0 | 0 | 0 | 114 | V275 P276 N282 F320 T395 C398 Y422 | V275-L278 HydrophobicContact CB-CB 4.22Å; V275-L278 HydrophobicContact CG1-CB 4.35Å; P276-L278 PolarHBondContact O-N 2.78Å; L278-N282 WeakPolarHBondContact O-CB 3.43Å; L278-N282 PolarHBondContact O-N 3.39Å; L278-N282 PolarHBondContact O-ND2 3.28Å; L278-F320 HydrophobicContact CD1-CZ 4.13Å; L278-T395 HydrophobicContact CG-CG2 4.32Å; L278-C398 HydrophobicContact CD2-CB 4.05Å; L278-Y422 HydrophobicContact CD1-CD1 4.41Å; L278-Y422 HydrophobicContact CD1-CD2 3.82Å; L278-Y422 HydrophobicContact CD1-CE2 4.43Å; L278-Y422 HydrophobicContact CD1-CG 3.85Å; L278-Y422 HydrophobicContact CD2-CD2 3.93Å; L278-Y422 HydrophobicContact CD2-CG 4.24Å |
| 279 | L | 95.8 | Very high | 93.7 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.6 | -38.6 | 173.4 | -177.9 | 59.9 | 0 | 0 | 0 | 112.4 | D277 N282 N283 V396 N399 | D277-L279 CarbonylContact O-C 3.57Å; D277-L279 PolarHBondContact O-N 3.1Å; L279-N282 PolarHBondContact O-N 3.44Å; L279-N283 PolarHBondContact O-N 2.7Å; L279-N283 PolarHBondContact O-ND2 3.35Å; L279-V396 HydrophobicContact CD1-CG2 4.12Å; L279-N399 HydrophobicContact CB-CB 4.1Å; L279-N399 WeakPolarHBondContact CB-OD1 3.42Å; L279-N399 HydrophobicContact CD2-CB 3.9Å; L279-N399 WeakPolarHBondContact CD2-OD1 3.37Å |
| 280 | Q | 95.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65 | -46 | 174 | -51 | -172.2 | 32.4 | 0 | 0 | 111 | D277 N282 N283 N284 T358 | D277-Q280 HydrophobicContact CB-CB 4.18Å; D277-Q280 HydrophobicContact CB-CG 4.17Å; D277-Q280 CarbonylContact O-C 3.59Å; D277-Q280 WeakPolarHBondContact O-CA 3.36Å; D277-Q280 WeakPolarHBondContact O-CB 3.3Å; D277-Q280 PolarHBondContact O-N 3.41Å; Q280-N282 PolarHBondContact O-N 3.27Å; Q280-N283 PolarHBondContact O-N 3.31Å; Q280-N283 VanDerWaalsContact O-N 3.15Å; Q280-N284 WeakPolarHBondContact O-CB 3.25Å; Q280-N284 PolarHBondContact O-N 3.02Å; Q280-T358 HydrophobicContact CB-CG2 3.78Å; Q280-T358 PolarHBondContact OE1-OG1 2.7Å |
| 281 | I | 96.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -50.4 | -46.5 | 172 | -70 | 176 | 0 | 0 | 0 | 110.6 | V275 D277 N284 Y287 L310 F320 I357 | V275-I281 HydrophobicContact CG1-CD1 4.09Å; D277-I281 PolarHBondContact O-N 3.47Å; D277-I281 WeakPolarHBondContact OD1-CD1 3.3Å; I281-N284 WeakPolarHBondContact O-CB 3.09Å; I281-N284 PolarHBondContact O-N 2.89Å; I281-Y287 HydrophobicContact CG2-CD1 3.75Å; I281-Y287 HydrophobicContact CG2-CD2 3.72Å; I281-Y287 HydrophobicContact CG2-CE1 3.98Å; I281-Y287 HydrophobicContact CG2-CE2 3.95Å; I281-Y287 HydrophobicContact CG2-CG 3.6Å; I281-Y287 VanDerWaalsContact O-CB 3.23Å; I281-Y287 WeakPolarHBondContact O-CB 3.28Å; I281-L310 HydrophobicContact CG1-CD2 4.44Å; I281-L310 HydrophobicContact CG2-CD2 3.83Å; I281-F320 HydrophobicContact CD1-CD2 4.48Å; I281-F320 HydrophobicContact CD1-CE2 3.81Å; I281-F320 HydrophobicContact CD1-CZ 3.84Å; I281-I357 HydrophobicContact CD1-CB 3.99Å; I281-I357 HydrophobicContact CD1-CD1 4.02Å; I281-I357 HydrophobicContact CD1-CG2 4.07Å; I281-I357 HydrophobicContact CG1-CB 4.43Å; I281-I357 HydrophobicContact CG1-CG2 4.37Å |
| 282 | N | 96.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.9 | -28.5 | -177 | -91.2 | -91.7 | 0 | 0 | 0 | 114.7 | L278 L279 Q280 R383 F387 H391 T395 | L278-N282 WeakPolarHBondContact O-CB 3.43Å; L278-N282 PolarHBondContact O-N 3.39Å; L278-N282 PolarHBondContact O-ND2 3.28Å; L279-N282 PolarHBondContact O-N 3.44Å; Q280-N282 PolarHBondContact O-N 3.27Å; N282-R383 PolarHBondContact O-NH2 3.48Å; N282-F387 WeakPolarHBondContact OD1-CD2 3.49Å; N282-F387 VanDerWaalsContact OD1-CE2 3.24Å; N282-F387 WeakPolarHBondContact OD1-CE2 3.42Å; N282-H391 PolarHBondContact ND2-NE2 3.29Å; N282-H391 PolarHBondContact OD1-CD2 3.05Å; N282-H391 PolarHBondContact OD1-NE2 2.97Å; N282-T395 HydrophobicContact CB-CG2 3.91Å; N282-T395 VanDerWaalsContact CG-CG2 3.42Å; N282-T395 VanDerWaalsContact ND2-CG2 3.34Å; N282-T395 WeakPolarHBondContact ND2-CG2 3.24Å |
| 283 | N | 95.8 | Very high | 95.4 | Very high | 119 Ų | 119 | 39.3 Ų | 39.3 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -78.9 | -22.4 | 172.8 | -66.4 | -22.8 | 0 | 0 | 0 | 112 | L279 Q280 P285 | L279-N283 PolarHBondContact O-N 2.7Å; L279-N283 PolarHBondContact O-ND2 3.35Å; Q280-N283 PolarHBondContact O-N 3.31Å; Q280-N283 VanDerWaalsContact O-N 3.15Å; N283-P285 WeakPolarHBondContact O-CD 3.38Å |
| 284 | N | 95.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -70.5 | 121.9 | 177.4 | -169.8 | -26.8 | 0 | 0 | 0 | 110.8 | Q280 I281 C286 Y287 | Q280-N284 WeakPolarHBondContact O-CB 3.25Å; Q280-N284 PolarHBondContact O-N 3.02Å; I281-N284 WeakPolarHBondContact O-CB 3.09Å; I281-N284 PolarHBondContact O-N 2.89Å; N284-C286 VanDerWaalsContact CG-SG 3.54Å; N284-C286 PolarHBondContact O-N 3.36Å; N284-C286 PolarHBondContact OD1-N 3.01Å; N284-C286 PolarHBondContact OD1-SG 2.82Å; N284-Y287 PolarHBondContact O-N 3.42Å |
| 285 | P | 95.8 | Very high | 95.7 | Very high | 62 Ų | 62 | 46 Ų | 46 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.7 | -178.9 | 28.4 | -36.5 | 0 | 0 | 0 | 114.4 | N283 Y287 I382 R383 | N283-P285 WeakPolarHBondContact O-CD 3.38Å; P285-Y287 VanDerWaalsContact C-N 3.27Å; P285-I382 HydrophobicContact CB-CD1 3.81Å; P285-I382 HydrophobicContact CB-CG2 4.17Å; P285-I382 HydrophobicContact CG-CD1 3.83Å; P285-R383 PolarHBondContact O-N 3.5Å |
| 286 | C | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.6 | 174 | 86.2 | 0 | 0 | 0 | 0 | 113.7 | N284 W288 F308 L310 P380 | N284-C286 VanDerWaalsContact CG-SG 3.54Å; N284-C286 PolarHBondContact O-N 3.36Å; N284-C286 PolarHBondContact OD1-N 3.01Å; N284-C286 PolarHBondContact OD1-SG 2.82Å; C286-W288 VanDerWaalsContact O-CD1 3.31Å; C286-F308 HydrophobicContact CB-CE2 4.19Å; C286-F308 HydrophobicContact CB-CZ 4.33Å; C286-L310 PolarHBondContact O-N 2.79Å; C286-P380 HydrophobicContact CB-CB 3.57Å |
| 287 | Y | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -88.9 | 123.1 | 178.7 | 177.9 | -119.7 | 0 | 0 | 0 | 111.9 | I281 N284 P285 G289 L310 D312 F320 R383 F387 H391 Y422 | I281-Y287 HydrophobicContact CG2-CD1 3.75Å; I281-Y287 HydrophobicContact CG2-CD2 3.72Å; I281-Y287 HydrophobicContact CG2-CE1 3.98Å; I281-Y287 HydrophobicContact CG2-CE2 3.95Å; I281-Y287 HydrophobicContact CG2-CG 3.6Å; I281-Y287 VanDerWaalsContact O-CB 3.23Å; I281-Y287 WeakPolarHBondContact O-CB 3.28Å; N284-Y287 PolarHBondContact O-N 3.42Å; P285-Y287 VanDerWaalsContact C-N 3.27Å; Y287-G289 VanDerWaalsContact CZ-CA 3.49Å; Y287-L310 WeakPolarHBondContact CA-O 3.26Å; Y287-L310 HydrophobicContact CD2-CB 4.3Å; Y287-L310 HydrophobicContact CD2-CD2 3.83Å; Y287-L310 HydrophobicContact CD2-CG 3.93Å; Y287-L310 HydrophobicContact CG-CD2 4.44Å; Y287-D312 VanDerWaalsContact CE2-OD1 3.24Å; Y287-D312 WeakPolarHBondContact CE2-OD1 3.5Å; Y287-D312 PolarHBondContact OH-OD1 3.2Å; Y287-F320 HydrophobicContact CE2-CD1 4.11Å; Y287-F320 AromaticContact CE2-CE1 3.86Å; Y287-F320 HydrophobicContact CE2-CE1 3.86Å; Y287-R383 VanDerWaalsContact O-CD 3.32Å; Y287-R383 WeakPolarHBondContact O-CD 3.41Å; Y287-R383 PolarHBondContact O-NE 2.91Å; Y287-F387 AromaticContact CD1-CE2 3.65Å; Y287-F387 HydrophobicContact CD1-CE2 3.65Å; Y287-F387 AromaticContact CD1-CZ 3.57Å; Y287-F387 HydrophobicContact CD1-CZ 3.57Å; Y287-F387 AromaticContact CE1-CE2 3.82Å; Y287-F387 HydrophobicContact CE1-CE2 3.82Å; Y287-F387 AromaticContact CE1-CZ 3.7Å; Y287-F387 HydrophobicContact CE1-CZ 3.7Å; Y287-H391 AromaticContact CE1-NE2 3.48Å; Y287-H391 WeakPolarHBondContact CE1-NE2 3.37Å; Y287-Y422 PolarHBondContact OH-OH 3.49Å |
| 288 | W | 97.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | trans | -102.1 | -8.7 | -177.7 | -72.4 | 69.9 | 0 | 0 | 0 | 114.3 | C286 M291 L299 L310 L381 I382 R383 F385 | C286-W288 VanDerWaalsContact O-CD1 3.31Å; W288-M291 HydrophobicContact CB-CE 3.77Å; W288-M291 HydrophobicContact CB-SD 4.33Å; W288-M291 HydrophobicContact CD2-CE 3.76Å; W288-M291 HydrophobicContact CE3-CE 3.39Å; W288-M291 HydrophobicContact CG-CE 3.94Å; W288-M291 HydrophobicContact CZ3-CE 4.22Å; W288-L299 HydrophobicContact CD2-CD1 4.37Å; W288-L299 HydrophobicContact CE3-CD1 3.97Å; W288-L299 HydrophobicContact CH2-CD1 3.91Å; W288-L299 HydrophobicContact CH2-CD2 4.25Å; W288-L299 HydrophobicContact CZ2-CD1 4.31Å; W288-L299 HydrophobicContact CZ3-CD1 3.73Å; W288-L310 PolarHBondContact N-O 3.1Å; W288-L381 HydrophobicContact CZ2-CD2 4.12Å; W288-L381 HydrophobicContact CZ2-CG 4.14Å; W288-L381 PolarHBondContact NE1-O 2.75Å; W288-I382 VanDerWaalsContact CZ2-O 3.29Å; W288-I382 WeakPolarHBondContact CZ2-O 3.27Å; W288-R383 HydrophobicContact CD2-CB 4.11Å; W288-R383 HydrophobicContact CD2-CG 4.46Å; W288-R383 HydrophobicContact CE3-CG 4.48Å; W288-R383 HydrophobicContact CG-CB 4.36Å; W288-R383 HydrophobicContact CZ2-CB 4.48Å; W288-F385 AromaticContact CE3-CE1 3.62Å; W288-F385 HydrophobicContact CE3-CE1 3.62Å; W288-F385 HydrophobicContact CE3-CZ 4.24Å; W288-F385 HydrophobicContact CZ3-CD1 4.43Å; W288-F385 AromaticContact CZ3-CE1 3.83Å; W288-F385 HydrophobicContact CZ3-CE1 3.83Å | ||
| 289 | G | 96.1 | Very high | 96.5 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | trans | 72.5 | -145.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y287 M291 R311 D312 | Y287-G289 VanDerWaalsContact CZ-CA 3.49Å; G289-M291 PolarHBondContact O-N 2.49Å; G289-R311 WeakPolarHBondContact O-CB 3.28Å; G289-D312 PolarHBondContact O-N 3.32Å | ||
| 290 | V | 95.6 | Very high | 96.5 | Very high | 135 Ų | 135 | 49.3 Ų | 49.3 | 82% | 0.818 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -62.5 | 103 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | D312 | V290-D312 VanDerWaalsContact CG2-OD2 3.29Å; V290-D312 WeakPolarHBondContact CG2-OD2 3.47Å; V290-D312 PolarHBondContact N-OD2 2.78Å |
| 291 | M | 95.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 14% | 0.138 | 28% | 0.279 | C | S | . | . | trans | -147.1 | 137.4 | 179.3 | 177.9 | -175.3 | -76.8 | 0 | 0 | 109.4 | W288 G289 A295 A296 L299 L309 R311 | W288-M291 HydrophobicContact CB-CE 3.77Å; W288-M291 HydrophobicContact CB-SD 4.33Å; W288-M291 HydrophobicContact CD2-CE 3.76Å; W288-M291 HydrophobicContact CE3-CE 3.39Å; W288-M291 HydrophobicContact CG-CE 3.94Å; W288-M291 HydrophobicContact CZ3-CE 4.22Å; G289-M291 PolarHBondContact O-N 2.49Å; M291-A295 HydrophobicContact CG-CB 3.81Å; M291-A295 HydrophobicContact SD-CB 4.39Å; M291-A296 HydrophobicContact SD-CB 3.89Å; M291-L299 HydrophobicContact CE-CD1 3.4Å; M291-L299 HydrophobicContact SD-CD1 4.04Å; M291-L309 HydrophobicContact SD-CD1 3.97Å; M291-L309 HydrophobicContact SD-CD2 4.47Å; M291-R311 HydrophobicContact CB-CB 3.98Å; M291-R311 WeakPolarHBondContact O-CD 3.5Å; M291-R311 PolarHBondContact O-NH1 2.91Å | ||
| 292 | D | 95.8 | Very high | 96.4 | Very high | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | trans | -81.9 | 175.2 | 175.1 | 80.2 | -12.4 | 0 | 0 | 0 | 112.1 | Y294 A295 A296 | D292-Y294 VanDerWaalsContact C-N 3.33Å; D292-Y294 PolarHBondContact O-N 2.88Å; D292-Y294 PolarHBondContact OD1-N 3.46Å; D292-Y294 WeakPolarHBondContact OD2-CD2 3.09Å; D292-A295 VanDerWaalsContact OD1-CB 3.25Å; D292-A295 WeakPolarHBondContact OD1-CB 3.46Å; D292-A295 PolarHBondContact OD1-N 3.48Å; D292-A296 PolarHBondContact O-N 2.67Å | ||
| 293 | K | 96.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.2 | -33.5 | -179.9 | 77.8 | -178.2 | -163.3 | 79.7 | 0 | 112.5 | A296 E297 | K293-A296 WeakPolarHBondContact O-CB 3.47Å; K293-A296 PolarHBondContact O-N 2.77Å; K293-E297 IonicContact NZ-OE1 3.36Å; K293-E297 PolarHBondContact NZ-OE1 3.43Å; K293-E297 WeakPolarHBondContact O-CB 3.47Å; K293-E297 VanDerWaalsContact O-CG 3.24Å; K293-E297 WeakPolarHBondContact O-CG 3.42Å; K293-E297 PolarHBondContact O-N 2.61Å |
| 294 | Y | 97.1 | Very high | 96.4 | Very high | 143 Ų | 143 | 57 Ų | 57 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -73.7 | -38.2 | -173.9 | -57.9 | -68.9 | 0 | 0 | 0 | 112.4 | D292 A296 E297 A298 | D292-Y294 VanDerWaalsContact C-N 3.33Å; D292-Y294 PolarHBondContact O-N 2.88Å; D292-Y294 PolarHBondContact OD1-N 3.46Å; D292-Y294 WeakPolarHBondContact OD2-CD2 3.09Å; Y294-A296 VanDerWaalsContact C-N 3.32Å; Y294-E297 WeakPolarHBondContact CD1-OE2 3.49Å; Y294-E297 PolarHBondContact O-N 2.89Å; Y294-A298 WeakPolarHBondContact O-CB 3.46Å; Y294-A298 PolarHBondContact O-N 3.31Å |
| 295 | A | 96.8 | Very high | 96.4 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M291 D292 L299 | M291-A295 HydrophobicContact CG-CB 3.81Å; M291-A295 HydrophobicContact SD-CB 4.39Å; D292-A295 VanDerWaalsContact OD1-CB 3.25Å; D292-A295 WeakPolarHBondContact OD1-CB 3.46Å; D292-A295 PolarHBondContact OD1-N 3.48Å; A295-L299 WeakPolarHBondContact O-CG 3.39Å; A295-L299 PolarHBondContact O-N 2.84Å |
| 296 | A | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M291 D292 K293 Y294 A298 L299 L300 L309 | M291-A296 HydrophobicContact SD-CB 3.89Å; D292-A296 PolarHBondContact O-N 2.67Å; K293-A296 WeakPolarHBondContact O-CB 3.47Å; K293-A296 PolarHBondContact O-N 2.77Å; Y294-A296 VanDerWaalsContact C-N 3.32Å; A296-A298 VanDerWaalsContact C-N 3.32Å; A296-A298 PolarHBondContact O-N 2.91Å; A296-L299 PolarHBondContact O-N 2.8Å; A296-L300 WeakPolarHBondContact O-CB 3.46Å; A296-L300 VanDerWaalsContact O-CG 3.27Å; A296-L300 WeakPolarHBondContact O-CG 2.94Å; A296-L300 PolarHBondContact O-N 3.3Å; A296-L309 HydrophobicContact CB-CD1 4.07Å; A296-L309 HydrophobicContact CB-CD2 4.26Å |
| 297 | E | 97.5 | Very high | 96.3 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -54.8 | -46.8 | 173.5 | -75.2 | 162.4 | -161.5 | 0 | 0 | 110.9 | K293 Y294 L300 E301 H332 | K293-E297 IonicContact NZ-OE1 3.36Å; K293-E297 PolarHBondContact NZ-OE1 3.43Å; K293-E297 WeakPolarHBondContact O-CB 3.47Å; K293-E297 VanDerWaalsContact O-CG 3.24Å; K293-E297 WeakPolarHBondContact O-CG 3.42Å; K293-E297 PolarHBondContact O-N 2.61Å; Y294-E297 WeakPolarHBondContact CD1-OE2 3.49Å; Y294-E297 PolarHBondContact O-N 2.89Å; E297-L300 CarbonylContact O-C 3.54Å; E297-L300 PolarHBondContact O-N 3.15Å; E297-E301 PolarHBondContact O-N 2.9Å; E297-H332 IonicContact OE1-NE2 2.68Å; E297-H332 PolarHBondContact OE1-NE2 2.78Å |
| 298 | A | 97.4 | Very high | 96.3 | Very high | 65 Ų | 65 | 56.4 Ų | 56.4 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.6 | -33.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y294 A296 L300 E301 | Y294-A298 WeakPolarHBondContact O-CB 3.46Å; Y294-A298 PolarHBondContact O-N 3.31Å; A296-A298 VanDerWaalsContact C-N 3.32Å; A296-A298 PolarHBondContact O-N 2.91Å; A298-L300 VanDerWaalsContact C-N 3.33Å; A298-E301 PolarHBondContact O-N 2.85Å |
| 299 | L | 96.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 30% | 0.304 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.4 | -26.3 | 174.3 | -75.5 | 172.3 | 0 | 0 | 0 | 113 | W288 M291 A295 A296 K303 L309 L381 | W288-L299 HydrophobicContact CD2-CD1 4.37Å; W288-L299 HydrophobicContact CE3-CD1 3.97Å; W288-L299 HydrophobicContact CH2-CD1 3.91Å; W288-L299 HydrophobicContact CH2-CD2 4.25Å; W288-L299 HydrophobicContact CZ2-CD1 4.31Å; W288-L299 HydrophobicContact CZ3-CD1 3.73Å; M291-L299 HydrophobicContact CE-CD1 3.4Å; M291-L299 HydrophobicContact SD-CD1 4.04Å; A295-L299 WeakPolarHBondContact O-CG 3.39Å; A295-L299 PolarHBondContact O-N 2.84Å; A296-L299 PolarHBondContact O-N 2.8Å; L299-K303 WeakPolarHBondContact O-CE 3.32Å; L299-L309 HydrophobicContact CB-CD2 4.36Å; L299-L309 HydrophobicContact CD1-CD2 4.47Å; L299-L381 HydrophobicContact CB-CD2 3.86Å |
| 300 | L | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -91.3 | -3.4 | 176.3 | -65.6 | 169 | 0 | 0 | 0 | 112.9 | A296 E297 A298 K303 T307 L309 R325 L381 | A296-L300 WeakPolarHBondContact O-CB 3.46Å; A296-L300 VanDerWaalsContact O-CG 3.27Å; A296-L300 WeakPolarHBondContact O-CG 2.94Å; A296-L300 PolarHBondContact O-N 3.3Å; E297-L300 CarbonylContact O-C 3.54Å; E297-L300 PolarHBondContact O-N 3.15Å; A298-L300 VanDerWaalsContact C-N 3.33Å; L300-K303 PolarHBondContact O-N 3.48Å; L300-T307 HydrophobicContact CD2-CG2 3.79Å; L300-L309 HydrophobicContact CD1-CD2 4.43Å; L300-L309 HydrophobicContact CD2-CD2 4.48Å; L300-L309 HydrophobicContact CG-CD2 4.25Å; L300-R325 WeakPolarHBondContact O-CD 3.31Å; L300-R325 PolarHBondContact O-NH1 3.22Å; L300-L381 HydrophobicContact CD2-CD2 4.47Å |
| 301 | E | 96.3 | Very high | 96.5 | Very high | 147 Ų | 147 | 49.6 Ų | 49.6 | 69% | 0.687 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 138.2 | 174.8 | -166.3 | 168.2 | -156.8 | 0 | 0 | 111.3 | E297 A298 K303 | E297-E301 PolarHBondContact O-N 2.9Å; A298-E301 PolarHBondContact O-N 2.85Å; E301-K303 PolarHBondContact O-N 3.19Å |
| 302 | G | 93.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 0.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 303 | K | 96.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 160.5 | -177.8 | -59.5 | -58.1 | -178.4 | 179.1 | 0 | 113.2 | L299 L300 E301 T307 R325 | L299-K303 WeakPolarHBondContact O-CE 3.32Å; L300-K303 PolarHBondContact O-N 3.48Å; E301-K303 PolarHBondContact O-N 3.19Å; K303-T307 HydrophobicContact CB-CG2 4Å; K303-T307 HydrophobicContact CG-CG2 4.13Å; K303-R325 WeakPolarHBondContact O-CD 3.24Å; K303-R325 PolarHBondContact O-NE 2.86Å |
| 304 | P | 95.9 | Very high | 96.4 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 56% | 0.558 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 161.4 | 169.3 | 27.3 | -32.6 | 0 | 0 | 0 | 112.2 | T307 | P304-T307 WeakPolarHBondContact CD-OG1 3.4Å; P304-T307 WeakPolarHBondContact CG-OG1 2.97Å; P304-T307 WeakPolarHBondContact O-CB 3.33Å; P304-T307 PolarHBondContact O-N 3.45Å; P304-T307 PolarHBondContact O-OG1 3.09Å |
| 305 | E | 94.1 | Very high | 96.2 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 144.5 | 171.8 | -173.1 | 131.5 | 160 | 0 | 0 | 111.2 | T307 R325 R326 Y327 L376 | E305-T307 VanDerWaalsContact C-N 3.25Å; E305-T307 PolarHBondContact O-N 2.78Å; E305-R325 WeakPolarHBondContact CA-O 3.48Å; E305-R326 HydrophobicContact CG-CG 4.24Å; E305-R326 WeakPolarHBondContact OE1-CG 3.4Å; E305-Y327 VanDerWaalsContact CD-N 3.28Å; E305-Y327 PolarHBondContact OE1-N 3.28Å; E305-Y327 WeakPolarHBondContact OE2-CA 3.42Å; E305-Y327 PolarHBondContact OE2-N 2.85Å; E305-L376 HydrophobicContact CG-CD2 4.17Å |
| 306 | G | 93.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -1.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F308 R325 L376 S378 T379 | G306-F308 PolarHBondContact O-N 3.11Å; G306-R325 PolarHBondContact N-O 3.06Å; G306-L376 WeakPolarHBondContact CA-O 3.24Å; G306-S378 WeakPolarHBondContact CA-OG 3.41Å; G306-S378 PolarHBondContact O-N 3.28Å; G306-S378 PolarHBondContact O-OG 2.63Å; G306-T379 PolarHBondContact O-N 2.76Å |
| 307 | T | 97.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127 | 170.5 | -51.3 | 0 | 0 | 0 | 0 | 110 | L300 K303 P304 E305 F324 R325 T379 L381 | L300-T307 HydrophobicContact CD2-CG2 3.79Å; K303-T307 HydrophobicContact CB-CG2 4Å; K303-T307 HydrophobicContact CG-CG2 4.13Å; P304-T307 WeakPolarHBondContact CD-OG1 3.4Å; P304-T307 WeakPolarHBondContact CG-OG1 2.97Å; P304-T307 WeakPolarHBondContact O-CB 3.33Å; P304-T307 PolarHBondContact O-N 3.45Å; P304-T307 PolarHBondContact O-OG1 3.09Å; E305-T307 VanDerWaalsContact C-N 3.25Å; E305-T307 PolarHBondContact O-N 2.78Å; T307-F324 CarbonylContact O-C 3.6Å; T307-F324 VanDerWaalsContact O-CA 3.28Å; T307-F324 WeakPolarHBondContact O-CA 3.28Å; T307-R325 PolarHBondContact O-N 3.35Å; T307-T379 CarbonylContact C-O 3.55Å; T307-T379 VanDerWaalsContact CA-O 3.3Å; T307-T379 WeakPolarHBondContact CA-O 3.37Å; T307-L381 HydrophobicContact CG2-CB 4.13Å; T307-L381 HydrophobicContact CG2-CD1 4.21Å |
| 308 | F | 97.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 6% | 0.057 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 163 | -178.3 | 81.8 | -78 | 0 | 0 | 0 | 114.2 | C286 G306 V322 S323 F324 L361 L377 T379 P380 L381 | C286-F308 HydrophobicContact CB-CE2 4.19Å; C286-F308 HydrophobicContact CB-CZ 4.33Å; G306-F308 PolarHBondContact O-N 3.11Å; F308-V322 HydrophobicContact CB-CG1 4.33Å; F308-V322 HydrophobicContact CD2-CG1 4.01Å; F308-S323 CarbonylContact C-O 3.47Å; F308-S323 VanDerWaalsContact CA-O 3.25Å; F308-S323 WeakPolarHBondContact CA-O 3.28Å; F308-F324 HydrophobicContact CB-CB 3.67Å; F308-L361 HydrophobicContact CE2-CD2 4.19Å; F308-L377 HydrophobicContact CB-CD2 3.66Å; F308-L377 VanDerWaalsContact CD1-C 3.45Å; F308-L377 HydrophobicContact CD1-CB 3.77Å; F308-L377 HydrophobicContact CD1-CD2 4.49Å; F308-L377 WeakPolarHBondContact CD1-O 3.21Å; F308-L377 HydrophobicContact CD2-CB 4.15Å; F308-L377 HydrophobicContact CD2-CD2 4.03Å; F308-L377 HydrophobicContact CD2-CG 4.47Å; F308-L377 HydrophobicContact CE1-CB 3.93Å; F308-L377 WeakPolarHBondContact CE1-O 3.3Å; F308-L377 HydrophobicContact CE2-CB 4.28Å; F308-L377 HydrophobicContact CG-CB 3.88Å; F308-L377 HydrophobicContact CG-CD2 3.82Å; F308-L377 HydrophobicContact CG-CG 4.39Å; F308-L377 HydrophobicContact CZ-CB 4.17Å; F308-T379 WeakPolarHBondContact CD1-O 3.45Å; F308-T379 PolarHBondContact N-O 3.4Å; F308-P380 HydrophobicContact CE1-CB 3.81Å; F308-P380 HydrophobicContact CE1-CG 4.47Å; F308-P380 HydrophobicContact CZ-CB 3.95Å; F308-L381 WeakPolarHBondContact O-CB 3.41Å; F308-L381 PolarHBondContact O-N 3.29Å |
| 309 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 147.1 | 168.9 | 63.3 | 92 | 0 | 0 | 0 | 111 | M291 A296 L299 L300 R311 V322 S323 L381 | M291-L309 HydrophobicContact SD-CD1 3.97Å; M291-L309 HydrophobicContact SD-CD2 4.47Å; A296-L309 HydrophobicContact CB-CD1 4.07Å; A296-L309 HydrophobicContact CB-CD2 4.26Å; L299-L309 HydrophobicContact CB-CD2 4.36Å; L299-L309 HydrophobicContact CD1-CD2 4.47Å; L300-L309 HydrophobicContact CD1-CD2 4.43Å; L300-L309 HydrophobicContact CD2-CD2 4.48Å; L300-L309 HydrophobicContact CG-CD2 4.25Å; L309-R311 HydrophobicContact CD1-CB 4.02Å; L309-R311 HydrophobicContact CD1-CG 3.91Å; L309-V322 WeakPolarHBondContact O-CA 3.3Å; L309-S323 PolarHBondContact N-O 2.86Å; L309-S323 PolarHBondContact O-N 3.36Å; L309-L381 HydrophobicContact CB-CB 4.39Å; L309-L381 HydrophobicContact CD2-CD2 3.91Å |
| 310 | L | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.9 | 168.6 | -175.9 | 72.2 | 0 | 0 | 0 | 109.1 | I281 C286 Y287 W288 F320 V322 I335 I357 L361 | I281-L310 HydrophobicContact CG1-CD2 4.44Å; I281-L310 HydrophobicContact CG2-CD2 3.83Å; C286-L310 PolarHBondContact O-N 2.79Å; Y287-L310 WeakPolarHBondContact CA-O 3.26Å; Y287-L310 HydrophobicContact CD2-CB 4.3Å; Y287-L310 HydrophobicContact CD2-CD2 3.83Å; Y287-L310 HydrophobicContact CD2-CG 3.93Å; Y287-L310 HydrophobicContact CG-CD2 4.44Å; W288-L310 PolarHBondContact N-O 3.1Å; L310-F320 HydrophobicContact CD1-CB 4.13Å; L310-V322 HydrophobicContact CD1-CG2 3.83Å; L310-I335 HydrophobicContact CD1-CD1 3.74Å; L310-I357 HydrophobicContact CD2-CG2 4.29Å; L310-L361 HydrophobicContact CD2-CD1 4.18Å |
| 311 | R | 97.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 165.8 | 175.3 | 56.9 | 175.8 | -173.1 | 73.2 | 10.1 | 110.8 | G289 M291 L309 F320 S321 S323 | G289-R311 WeakPolarHBondContact O-CB 3.28Å; M291-R311 HydrophobicContact CB-CB 3.98Å; M291-R311 WeakPolarHBondContact O-CD 3.5Å; M291-R311 PolarHBondContact O-NH1 2.91Å; L309-R311 HydrophobicContact CD1-CB 4.02Å; L309-R311 HydrophobicContact CD1-CG 3.91Å; R311-F320 CarbonylContact O-C 3.6Å; R311-F320 WeakPolarHBondContact O-CA 3.32Å; R311-S321 VanDerWaalsContact CG-O 3.3Å; R311-S321 WeakPolarHBondContact CG-O 3.28Å; R311-S321 PolarHBondContact N-O 2.88Å; R311-S321 VanDerWaalsContact N-O 3.15Å; R311-S321 PolarHBondContact O-N 3.26Å; R311-S323 PolarHBondContact NE-OG 3.37Å; R311-S323 PolarHBondContact NH2-OG 2.95Å |
| 312 | D | 97.1 | Very high | 95.1 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.064 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 149.5 | 171.7 | -56.7 | -15.9 | 0 | 0 | 0 | 109.6 | Y287 G289 V290 L319 F320 Y422 | Y287-D312 VanDerWaalsContact CE2-OD1 3.24Å; Y287-D312 WeakPolarHBondContact CE2-OD1 3.5Å; Y287-D312 PolarHBondContact OH-OD1 3.2Å; G289-D312 PolarHBondContact O-N 3.32Å; V290-D312 VanDerWaalsContact CG2-OD2 3.29Å; V290-D312 WeakPolarHBondContact CG2-OD2 3.47Å; V290-D312 PolarHBondContact N-OD2 2.78Å; D312-L319 CarbonylContact C-O 3.45Å; D312-L319 VanDerWaalsContact CA-O 3.3Å; D312-L319 WeakPolarHBondContact CA-O 3.37Å; D312-F320 WeakPolarHBondContact OD1-CE1 3.39Å; D312-Y422 PolarHBondContact OD2-OH 3.43Å |
| 313 | S | 96.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | trans | -79.1 | 155.2 | 175.4 | -146.4 | 0 | 0 | 0 | 0 | 111.8 | Q315 Y318 L319 S321 | S313-Q315 VanDerWaalsContact C-N 3.34Å; S313-Y318 WeakPolarHBondContact CB-O 3.33Å; S313-L319 PolarHBondContact N-O 2.72Å; S313-S321 WeakPolarHBondContact CB-OG 3.44Å; S313-S321 PolarHBondContact OG-OG 3.4Å | ||
| 314 | A | 92.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 37 Ų | 37 | 66% | 0.661 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -92.4 | 4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 315 | Q | 92.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 36% | 0.355 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -106.1 | 146.9 | 175.2 | -58.8 | -164.7 | 145.4 | 0 | 0 | 110.5 | S313 D317 Y318 R334 | S313-Q315 VanDerWaalsContact C-N 3.34Å; Q315-D317 VanDerWaalsContact C-N 3.33Å; Q315-D317 PolarHBondContact O-N 3.36Å; Q315-Y318 HydrophobicContact CB-CD2 4.06Å; Q315-Y318 PolarHBondContact O-N 2.92Å; Q315-Y318 VanDerWaalsContact O-O 3.13Å; Q315-R334 VanDerWaalsContact CD-CZ 3.46Å |
| 316 | E | 87.9 | Confident | 95.4 | Very high | 147 Ų | 147 | 31.8 Ų | 31.8 | 69% | 0.687 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.8 | -169.5 | -57.1 | -178.1 | -177 | 0 | 0 | 113.5 | R26 | R26-E316 IonicContact CZ-OE1 2.62Å; R26-E316 IonicContact NH1-OE1 2.7Å; R26-E316 PolarHBondContact NH1-OE1 3.49Å; R26-E316 VanDerWaalsContact NH1-OE1 3.09Å; R26-E316 IonicContact NH2-OE1 2.71Å; R26-E316 PolarHBondContact NH2-OE1 3.02Å |
| 317 | D | 89.5 | Confident | 95.3 | Very high | 129 Ų | 129 | 37.6 Ų | 37.6 | 69% | 0.69 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -5.9 | 176.8 | -60.6 | -61.9 | 0 | 0 | 0 | 114.3 | Q315 | Q315-D317 VanDerWaalsContact C-N 3.33Å; Q315-D317 PolarHBondContact O-N 3.36Å |
| 318 | Y | 93.8 | Very high | 95.1 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | trans | -130.9 | 124.5 | -173.7 | -62.1 | -98 | 0 | 0 | 0 | 110.5 | S313 Q315 R334 E336 | S313-Y318 WeakPolarHBondContact CB-O 3.33Å; Q315-Y318 HydrophobicContact CB-CD2 4.06Å; Q315-Y318 PolarHBondContact O-N 2.92Å; Q315-Y318 VanDerWaalsContact O-O 3.13Å; Y318-R334 HydrophobicContact CD1-CB 3.67Å; Y318-R334 HydrophobicContact CD1-CG 4.35Å; Y318-R334 HydrophobicContact CE1-CB 3.83Å; Y318-R334 HydrophobicContact CE1-CG 4.48Å; Y318-R334 HydrophobicContact CG-CB 4.36Å; Y318-E336 HydrophobicContact CE1-CG 3.97Å; Y318-E336 VanDerWaalsContact CE1-OE1 3.28Å; Y318-E336 WeakPolarHBondContact CE1-OE1 3.48Å; Y318-E336 PolarHBondContact OH-OE1 3.23Å; Y318-E336 VanDerWaalsContact OH-OE1 3.1Å | ||
| 319 | L | 94.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -71.6 | -43.1 | 178 | -63.9 | -178.8 | 0 | 0 | 0 | 112.2 | V275 D312 S313 Y422 | V275-L319 HydrophobicContact CG2-CD1 3.24Å; D312-L319 CarbonylContact C-O 3.45Å; D312-L319 VanDerWaalsContact CA-O 3.3Å; D312-L319 WeakPolarHBondContact CA-O 3.37Å; S313-L319 PolarHBondContact N-O 2.72Å; L319-Y422 HydrophobicContact CD2-CD1 4.46Å |
| 320 | F | 97.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 158.7 | -169.5 | -57.1 | -68.4 | 0 | 0 | 0 | 113.2 | V275 L278 I281 Y287 L310 R311 D312 I335 I357 Y422 | V275-F320 HydrophobicContact CG1-CE2 4.18Å; V275-F320 HydrophobicContact CG2-CE2 4.06Å; L278-F320 HydrophobicContact CD1-CZ 4.13Å; I281-F320 HydrophobicContact CD1-CD2 4.48Å; I281-F320 HydrophobicContact CD1-CE2 3.81Å; I281-F320 HydrophobicContact CD1-CZ 3.84Å; Y287-F320 HydrophobicContact CE2-CD1 4.11Å; Y287-F320 AromaticContact CE2-CE1 3.86Å; Y287-F320 HydrophobicContact CE2-CE1 3.86Å; L310-F320 HydrophobicContact CD1-CB 4.13Å; R311-F320 CarbonylContact O-C 3.6Å; R311-F320 WeakPolarHBondContact O-CA 3.32Å; D312-F320 WeakPolarHBondContact OD1-CE1 3.39Å; F320-I335 HydrophobicContact CB-CB 4.4Å; F320-I335 HydrophobicContact CB-CD1 4.1Å; F320-I335 HydrophobicContact CB-CG1 4.42Å; F320-I335 PolarHBondContact O-N 3Å; F320-I357 HydrophobicContact CD2-CD1 3.39Å; F320-I357 HydrophobicContact CE2-CD1 3.69Å; F320-I357 HydrophobicContact CG-CD1 4.42Å; F320-Y422 HydrophobicContact CE1-CD1 4.26Å; F320-Y422 HydrophobicContact CE1-CE1 4.06Å; F320-Y422 AromaticContact CZ-CD1 3.98Å; F320-Y422 HydrophobicContact CZ-CD1 3.98Å; F320-Y422 HydrophobicContact CZ-CE1 4.24Å |
| 321 | S | 97.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 134.2 | 170.9 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | R311 S313 A333 | R311-S321 VanDerWaalsContact CG-O 3.3Å; R311-S321 WeakPolarHBondContact CG-O 3.28Å; R311-S321 PolarHBondContact N-O 2.88Å; R311-S321 VanDerWaalsContact N-O 3.15Å; R311-S321 PolarHBondContact O-N 3.26Å; S313-S321 WeakPolarHBondContact CB-OG 3.44Å; S313-S321 PolarHBondContact OG-OG 3.4Å; S321-A333 CarbonylContact C-O 3.58Å; S321-A333 VanDerWaalsContact CA-O 3.26Å; S321-A333 WeakPolarHBondContact CA-O 3.43Å; S321-A333 WeakPolarHBondContact CB-O 3.38Å |
| 322 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 135.4 | 172.8 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | F308 L309 L310 F324 H332 A333 I335 F344 L361 L377 | F308-V322 HydrophobicContact CB-CG1 4.33Å; F308-V322 HydrophobicContact CD2-CG1 4.01Å; L309-V322 WeakPolarHBondContact O-CA 3.3Å; L310-V322 HydrophobicContact CD1-CG2 3.83Å; V322-F324 HydrophobicContact CG1-CD1 4.45Å; V322-H332 CarbonylContact O-C 3.48Å; V322-H332 VanDerWaalsContact O-CA 3.28Å; V322-H332 WeakPolarHBondContact O-CA 3.39Å; V322-A333 PolarHBondContact N-O 3.48Å; V322-A333 PolarHBondContact O-N 2.94Å; V322-I335 HydrophobicContact CG2-CD1 4.07Å; V322-I335 HydrophobicContact CG2-CG1 4.31Å; V322-F344 HydrophobicContact CB-CE1 4.26Å; V322-F344 HydrophobicContact CB-CZ 4.46Å; V322-F344 HydrophobicContact CG2-CE1 3.82Å; V322-F344 HydrophobicContact CG2-CZ 3.89Å; V322-L361 HydrophobicContact CG2-CD2 3.64Å; V322-L377 HydrophobicContact CG1-CD1 4.17Å; V322-L377 HydrophobicContact CG1-CD2 3.51Å |
| 323 | S | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.7 | 172 | -53.6 | 0 | 0 | 0 | 0 | 107.9 | F308 L309 R311 L331 H332 | F308-S323 CarbonylContact C-O 3.47Å; F308-S323 VanDerWaalsContact CA-O 3.25Å; F308-S323 WeakPolarHBondContact CA-O 3.28Å; L309-S323 PolarHBondContact N-O 2.86Å; L309-S323 PolarHBondContact O-N 3.36Å; R311-S323 PolarHBondContact NE-OG 3.37Å; R311-S323 PolarHBondContact NH2-OG 2.95Å; S323-L331 WeakPolarHBondContact CA-O 3.41Å; S323-H332 VanDerWaalsContact CB-ND1 3.34Å; S323-H332 WeakPolarHBondContact CB-ND1 3.42Å; S323-H332 PolarHBondContact OG-ND1 3.31Å |
| 324 | F | 97.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 163.4 | -170.4 | 66.3 | -81.4 | 0 | 0 | 0 | 111.5 | T307 F308 V322 R326 L331 A333 P375 L377 | T307-F324 CarbonylContact O-C 3.6Å; T307-F324 VanDerWaalsContact O-CA 3.28Å; T307-F324 WeakPolarHBondContact O-CA 3.28Å; F308-F324 HydrophobicContact CB-CB 3.67Å; V322-F324 HydrophobicContact CG1-CD1 4.45Å; F324-R326 HydrophobicContact CD2-CB 4.16Å; F324-R326 HydrophobicContact CE2-CB 4Å; F324-L331 HydrophobicContact CD1-CB 4.32Å; F324-L331 HydrophobicContact CD2-CB 4.35Å; F324-L331 HydrophobicContact CE1-CB 3.85Å; F324-L331 HydrophobicContact CE2-CB 3.89Å; F324-L331 HydrophobicContact CE2-CD1 3.8Å; F324-L331 HydrophobicContact CE2-CG 4.44Å; F324-L331 HydrophobicContact CZ-CB 3.61Å; F324-L331 HydrophobicContact CZ-CD1 3.96Å; F324-L331 HydrophobicContact CZ-CG 4.45Å; F324-L331 PolarHBondContact N-O 3.37Å; F324-L331 PolarHBondContact O-N 3.06Å; F324-A333 HydrophobicContact CE1-CB 4.17Å; F324-P375 HydrophobicContact CD1-CB 4.18Å; F324-P375 HydrophobicContact CE1-CB 3.87Å; F324-P375 HydrophobicContact CE1-CG 4.16Å; F324-P375 HydrophobicContact CE2-CB 4.36Å; F324-P375 HydrophobicContact CZ-CB 3.97Å; F324-P375 HydrophobicContact CZ-CG 4.29Å; F324-L377 HydrophobicContact CB-CD2 3.85Å; F324-L377 HydrophobicContact CD1-CD2 4.43Å; F324-L377 HydrophobicContact CG-CD2 4.15Å |
| 325 | R | 96.2 | Very high | 94.9 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.5 | -179.4 | -174.9 | 160.5 | 174.9 | 108.5 | 5.2 | 111.3 | L300 K303 E305 G306 T307 R329 | L300-R325 WeakPolarHBondContact O-CD 3.31Å; L300-R325 PolarHBondContact O-NH1 3.22Å; K303-R325 WeakPolarHBondContact O-CD 3.24Å; K303-R325 PolarHBondContact O-NE 2.86Å; E305-R325 WeakPolarHBondContact CA-O 3.48Å; G306-R325 PolarHBondContact N-O 3.06Å; T307-R325 PolarHBondContact O-N 3.35Å; R325-R329 WeakPolarHBondContact CA-O 3.31Å |
| 326 | R | 93.9 | Very high | 95 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.3 | 178.4 | -152.1 | 179.9 | -174.8 | 173.8 | 1.4 | 110.7 | E305 F324 S328 R329 L331 C370 M371 F372 E374 | E305-R326 HydrophobicContact CG-CG 4.24Å; E305-R326 WeakPolarHBondContact OE1-CG 3.4Å; F324-R326 HydrophobicContact CD2-CB 4.16Å; F324-R326 HydrophobicContact CE2-CB 4Å; R326-S328 PolarHBondContact O-N 3.13Å; R326-R329 PolarHBondContact N-O 3.32Å; R326-R329 PolarHBondContact O-N 2.85Å; R326-R329 VanDerWaalsContact O-O 3.07Å; R326-L331 HydrophobicContact CB-CD1 4.02Å; R326-C370 PolarHBondContact NH2-O 3.07Å; R326-M371 PolarHBondContact NH1-O 3.45Å; R326-M371 PolarHBondContact NH2-O 3.23Å; R326-F372 PolarHBondContact NH1-O 3.43Å; R326-E374 PolarHBondContact NH1-O 3.38Å |
| 327 | Y | 93 | Very high | 95.2 | Very high | 122 Ų | 122 | 51.4 Ų | 51.4 | 48% | 0.478 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 40.9 | -176.2 | -51.1 | -60.8 | 0 | 0 | 0 | 113.3 | E305 R329 F372 | E305-Y327 VanDerWaalsContact CD-N 3.28Å; E305-Y327 PolarHBondContact OE1-N 3.28Å; E305-Y327 WeakPolarHBondContact OE2-CA 3.42Å; E305-Y327 PolarHBondContact OE2-N 2.85Å; Y327-R329 PolarHBondContact O-N 3.11Å; Y327-R329 VanDerWaalsContact O-N 3.11Å; Y327-F372 WeakPolarHBondContact OH-CA 3.4Å; Y327-F372 WeakPolarHBondContact OH-CB 3.44Å; Y327-F372 PolarHBondContact OH-O 3.47Å |
| 328 | S | 92.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 51.3 Ų | 51.3 | 66% | 0.657 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 14.2 | -172 | -64.5 | 0 | 0 | 0 | 0 | 116.5 | R326 | R326-S328 PolarHBondContact O-N 3.13Š|
| 329 | R | 94.6 | Very high | 94.9 | Very high | 182 Ų | 182 | 53 Ų | 53 | 69% | 0.687 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 150.1 | 177.8 | -65.5 | 172.9 | -177.8 | -102 | -0.3 | 111 | R325 R326 Y327 L331 | R325-R329 WeakPolarHBondContact CA-O 3.31Å; R326-R329 PolarHBondContact N-O 3.32Å; R326-R329 PolarHBondContact O-N 2.85Å; R326-R329 VanDerWaalsContact O-O 3.07Å; Y327-R329 PolarHBondContact O-N 3.11Å; Y327-R329 VanDerWaalsContact O-N 3.11Å; R329-L331 HydrophobicContact CB-CD2 4.48Å |
| 330 | S | 96.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 129 | 164.6 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 331 | L | 96.3 | Very high | 94.5 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 160.6 | -178.3 | -62.8 | 178.2 | 0 | 0 | 0 | 109.9 | S323 F324 R326 R329 | S323-L331 WeakPolarHBondContact CA-O 3.41Å; F324-L331 HydrophobicContact CD1-CB 4.32Å; F324-L331 HydrophobicContact CD2-CB 4.35Å; F324-L331 HydrophobicContact CE1-CB 3.85Å; F324-L331 HydrophobicContact CE2-CB 3.89Å; F324-L331 HydrophobicContact CE2-CD1 3.8Å; F324-L331 HydrophobicContact CE2-CG 4.44Å; F324-L331 HydrophobicContact CZ-CB 3.61Å; F324-L331 HydrophobicContact CZ-CD1 3.96Å; F324-L331 HydrophobicContact CZ-CG 4.45Å; F324-L331 PolarHBondContact N-O 3.37Å; F324-L331 PolarHBondContact O-N 3.06Å; R326-L331 HydrophobicContact CB-CD1 4.02Å; R329-L331 HydrophobicContact CB-CD2 4.48Å |
| 332 | H | 96.3 | Very high | 94.4 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 132 | 178.5 | -48.1 | -76.3 | 0 | 0 | 0 | 110.6 | E297 V322 S323 | E297-H332 IonicContact OE1-NE2 2.68Å; E297-H332 PolarHBondContact OE1-NE2 2.78Å; V322-H332 CarbonylContact O-C 3.48Å; V322-H332 VanDerWaalsContact O-CA 3.28Å; V322-H332 WeakPolarHBondContact O-CA 3.39Å; S323-H332 VanDerWaalsContact CB-ND1 3.34Å; S323-H332 WeakPolarHBondContact CB-ND1 3.42Å; S323-H332 PolarHBondContact OG-ND1 3.31Å |
| 333 | A | 95.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | S321 V322 F324 F344 P375 | S321-A333 CarbonylContact C-O 3.58Å; S321-A333 VanDerWaalsContact CA-O 3.26Å; S321-A333 WeakPolarHBondContact CA-O 3.43Å; S321-A333 WeakPolarHBondContact CB-O 3.38Å; V322-A333 PolarHBondContact N-O 3.48Å; V322-A333 PolarHBondContact O-N 2.94Å; F324-A333 HydrophobicContact CE1-CB 4.17Å; A333-F344 HydrophobicContact CB-CD1 3.45Å; A333-F344 VanDerWaalsContact CB-CD1 3.45Å; A333-F344 HydrophobicContact CB-CE1 3.73Å; A333-F344 HydrophobicContact CB-CG 4.16Å; A333-P375 HydrophobicContact CB-CG 3.85Å |
| 334 | R | 96.3 | Very high | 94.1 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 42% | 0.419 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 140.8 | 176.3 | -62.2 | 172.9 | -172.6 | 159.7 | -3 | 108 | Q315 Y318 E336 F344 | Q315-R334 VanDerWaalsContact CD-CZ 3.46Å; Y318-R334 HydrophobicContact CD1-CB 3.67Å; Y318-R334 HydrophobicContact CD1-CG 4.35Å; Y318-R334 HydrophobicContact CE1-CB 3.83Å; Y318-R334 HydrophobicContact CE1-CG 4.48Å; Y318-R334 HydrophobicContact CG-CB 4.36Å; R334-E336 PolarHBondContact O-N 2.89Å; R334-F344 WeakPolarHBondContact O-CD1 3.36Å |
| 335 | I | 96.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | trans | -87.2 | 112.2 | 173.4 | -57.6 | -175.2 | 0 | 0 | 0 | 107 | L310 F320 V322 F342 F344 I357 L360 | L310-I335 HydrophobicContact CD1-CD1 3.74Å; F320-I335 HydrophobicContact CB-CB 4.4Å; F320-I335 HydrophobicContact CB-CD1 4.1Å; F320-I335 HydrophobicContact CB-CG1 4.42Å; F320-I335 PolarHBondContact O-N 3Å; V322-I335 HydrophobicContact CG2-CD1 4.07Å; V322-I335 HydrophobicContact CG2-CG1 4.31Å; I335-F342 HydrophobicContact CG2-CB 3.87Å; I335-F342 HydrophobicContact CG2-CD1 4.02Å; I335-F342 HydrophobicContact CG2-CG 4.32Å; I335-F344 HydrophobicContact CG1-CD1 4.46Å; I335-F344 HydrophobicContact CG1-CE1 3.88Å; I335-I357 HydrophobicContact CD1-CD1 4.42Å; I335-I357 HydrophobicContact CD1-CG2 3.66Å; I335-I357 HydrophobicContact CG2-CD1 4.16Å; I335-I357 HydrophobicContact CG2-CG1 4.23Å; I335-L360 HydrophobicContact CD1-CD2 4.38Å; I335-L360 HydrophobicContact CG1-CD2 4.34Å; I335-L360 HydrophobicContact CG2-CD2 3.9Å | ||
| 336 | E | 95 | Very high | 93.3 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 17% | 0.173 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 167.1 | 177.1 | -46.9 | -141 | 131.1 | 0 | 0 | 109.9 | Y318 R334 F342 S343 A346 | Y318-E336 HydrophobicContact CE1-CG 3.97Å; Y318-E336 VanDerWaalsContact CE1-OE1 3.28Å; Y318-E336 WeakPolarHBondContact CE1-OE1 3.48Å; Y318-E336 PolarHBondContact OH-OE1 3.23Å; Y318-E336 VanDerWaalsContact OH-OE1 3.1Å; R334-E336 PolarHBondContact O-N 2.89Å; E336-F342 WeakPolarHBondContact O-CA 3.45Å; E336-S343 PolarHBondContact N-O 3.04Å; E336-S343 PolarHBondContact O-N 3.15Å; E336-A346 HydrophobicContact CB-CB 3.45Å; E336-A346 VanDerWaalsContact CB-CB 3.45Å; E336-A346 HydrophobicContact CG-CB 4.39Å; E336-A346 WeakPolarHBondContact OE2-CB 3.37Å; E336-A346 PolarHBondContact OE2-N 3.04Å |
| 337 | Q | 91.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 20% | 0.201 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 126.1 | -177.9 | -174.1 | -77.9 | -61.1 | 0 | 0 | 110.8 | H340 N341 F342 Y424 | Q337-H340 VanDerWaalsContact NE2-N 3.15Å; Q337-N341 WeakPolarHBondContact CA-O 3.37Å; Q337-F342 HydrophobicContact CB-CD1 3.96Å; Q337-F342 HydrophobicContact CB-CE1 4Å; Q337-F342 HydrophobicContact CG-CD1 3.97Å; Q337-F342 HydrophobicContact CG-CE1 3.68Å; Q337-F342 HydrophobicContact CG-CZ 4.33Å; Q337-Y424 HydrophobicContact CG-CD1 4.32Å; Q337-Y424 HydrophobicContact CG-CD2 3.71Å; Q337-Y424 HydrophobicContact CG-CE2 4.2Å; Q337-Y424 HydrophobicContact CG-CG 3.75Å |
| 338 | W | 89.8 | Confident | 92.5 | Very high | 128 Ų | 128 | 64.3 Ų | 64.3 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 142 | 173.8 | -177.2 | 76.2 | 0 | 0 | 0 | 111.2 | H340 N341 A346 | W338-H340 PolarHBondContact O-N 2.01Å; W338-H340 VanDerWaalsContact O-N 3.09Å; W338-N341 PolarHBondContact N-O 3.17Å; W338-N341 WeakPolarHBondContact O-CA 3.39Å; W338-N341 PolarHBondContact O-N 2.9Å; W338-N341 VanDerWaalsContact O-O 3.1Å; W338-A346 HydrophobicContact CB-CB 3.92Å |
| 339 | N | 87.4 | Confident | 92.1 | Very high | 90 Ų | 90 | 65 Ų | 65 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 41.9 | -179 | -65.2 | -7 | 0 | 0 | 0 | 115.1 | N341 | N339-N341 PolarHBondContact O-N 2.92Š|
| 340 | H | 90.2 | Very high | 91.6 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 40% | 0.403 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 4.9 | -175.4 | -56.9 | -87.6 | 0 | 0 | 0 | 116.4 | Q337 W338 Y424 S426 | Q337-H340 VanDerWaalsContact NE2-N 3.15Å; W338-H340 PolarHBondContact O-N 2.01Å; W338-H340 VanDerWaalsContact O-N 3.09Å; H340-Y424 AromaticContact ND1-CE2 3.54Å; H340-Y424 AromaticContact ND1-CZ 3.68Å; H340-Y424 PolarHBondContact ND1-OH 3.16Å; H340-S426 PolarHBondContact CE1-OG 3.2Å; H340-S426 PolarHBondContact NE2-OG 3.18Å |
| 341 | N | 93.4 | Very high | 91.3 | Very high | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.214 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 161.5 | 168.4 | -59.1 | -27.5 | 0 | 0 | 0 | 111.2 | Q337 W338 N339 H353 S354 | Q337-N341 WeakPolarHBondContact CA-O 3.37Å; W338-N341 PolarHBondContact N-O 3.17Å; W338-N341 WeakPolarHBondContact O-CA 3.39Å; W338-N341 PolarHBondContact O-N 2.9Å; W338-N341 VanDerWaalsContact O-O 3.1Å; N339-N341 PolarHBondContact O-N 2.92Å; N341-H353 HydrophobicContact CB-CB 4.07Å; N341-H353 PolarHBondContact ND2-CE1 3.4Å; N341-H353 PolarHBondContact ND2-ND1 3Å; N341-S354 CarbonylContact C-O 3.48Å; N341-S354 WeakPolarHBondContact CA-O 3.23Å |
| 342 | F | 95.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141 | 175.3 | -59.1 | -80.5 | 0 | 0 | 0 | 110.8 | P276 I335 E336 Q337 H353 S354 P355 I357 L360 Y424 | P276-F342 HydrophobicContact CG-CE2 4.2Å; I335-F342 HydrophobicContact CG2-CB 3.87Å; I335-F342 HydrophobicContact CG2-CD1 4.02Å; I335-F342 HydrophobicContact CG2-CG 4.32Å; E336-F342 WeakPolarHBondContact O-CA 3.45Å; Q337-F342 HydrophobicContact CB-CD1 3.96Å; Q337-F342 HydrophobicContact CB-CE1 4Å; Q337-F342 HydrophobicContact CG-CD1 3.97Å; Q337-F342 HydrophobicContact CG-CE1 3.68Å; Q337-F342 HydrophobicContact CG-CZ 4.33Å; F342-H353 CarbonylContact O-C 3.58Å; F342-H353 VanDerWaalsContact O-CA 3.29Å; F342-H353 WeakPolarHBondContact O-CA 3.43Å; F342-S354 PolarHBondContact N-O 3.39Å; F342-S354 PolarHBondContact O-N 2.96Å; F342-P355 WeakPolarHBondContact CD2-O 3.44Å; F342-P355 WeakPolarHBondContact CE2-O 3.5Å; F342-I357 HydrophobicContact CB-CG1 4.15Å; F342-I357 HydrophobicContact CD1-CD1 4.06Å; F342-I357 HydrophobicContact CD1-CG1 4.02Å; F342-I357 HydrophobicContact CD2-CG1 3.84Å; F342-I357 HydrophobicContact CE1-CD1 4.12Å; F342-I357 HydrophobicContact CE1-CG1 4.38Å; F342-I357 HydrophobicContact CE2-CG1 4.22Å; F342-I357 HydrophobicContact CG-CD1 4.29Å; F342-I357 HydrophobicContact CG-CG1 3.73Å; F342-I357 HydrophobicContact CZ-CD1 4.41Å; F342-I357 HydrophobicContact CZ-CG1 4.47Å; F342-L360 HydrophobicContact CB-CD2 4.27Å; F342-Y424 HydrophobicContact CE1-CD1 4.21Å; F342-Y424 AromaticContact CZ-CD1 3.88Å; F342-Y424 HydrophobicContact CZ-CD1 3.88Å; F342-Y424 AromaticContact CZ-CE1 3.84Å; F342-Y424 HydrophobicContact CZ-CE1 3.84Å |
| 343 | S | 94.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 178.5 | -179.1 | 55 | 0 | 0 | 0 | 0 | 110.7 | E336 D345 F352 | E336-S343 PolarHBondContact N-O 3.04Å; E336-S343 PolarHBondContact O-N 3.15Å; S343-D345 WeakPolarHBondContact CB-O 3.34Å; S343-D345 VanDerWaalsContact OG-C 3.23Å; S343-D345 PolarHBondContact OG-O 3.17Å; S343-F352 WeakPolarHBondContact CB-O 3.48Å |
| 344 | F | 94.1 | Very high | 90.9 | Very high | 32 Ų | 32 | 62.5 Ų | 62.5 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -93.7 | -12.1 | 172.5 | -67.3 | -62.1 | 0 | 0 | 0 | 114.1 | V322 A333 R334 I335 L360 Y364 P375 L377 | V322-F344 HydrophobicContact CB-CE1 4.26Å; V322-F344 HydrophobicContact CB-CZ 4.46Å; V322-F344 HydrophobicContact CG2-CE1 3.82Å; V322-F344 HydrophobicContact CG2-CZ 3.89Å; A333-F344 HydrophobicContact CB-CD1 3.45Å; A333-F344 VanDerWaalsContact CB-CD1 3.45Å; A333-F344 HydrophobicContact CB-CE1 3.73Å; A333-F344 HydrophobicContact CB-CG 4.16Å; R334-F344 WeakPolarHBondContact O-CD1 3.36Å; I335-F344 HydrophobicContact CG1-CD1 4.46Å; I335-F344 HydrophobicContact CG1-CE1 3.88Å; F344-L360 HydrophobicContact CD2-CD1 4.22Å; F344-L360 HydrophobicContact CE1-CD2 4.43Å; F344-L360 HydrophobicContact CE2-CD1 4.1Å; F344-L360 HydrophobicContact CE2-CD2 4.23Å; F344-L360 HydrophobicContact CE2-CG 4.01Å; F344-L360 HydrophobicContact CZ-CD2 4.17Å; F344-L360 HydrophobicContact CZ-CG 4.26Å; F344-Y364 AromaticContact CD2-CD2 3.83Å; F344-Y364 HydrophobicContact CD2-CD2 3.83Å; F344-Y364 AromaticContact CD2-CE2 3.63Å; F344-Y364 HydrophobicContact CD2-CE2 3.63Å; F344-Y364 AromaticContact CE2-CD2 3.46Å; F344-Y364 HydrophobicContact CE2-CD2 3.46Å; F344-Y364 VanDerWaalsContact CE2-CD2 3.46Å; F344-Y364 AromaticContact CE2-CE2 3.79Å; F344-Y364 HydrophobicContact CE2-CE2 3.79Å; F344-Y364 HydrophobicContact CE2-CG 4.09Å; F344-P375 HydrophobicContact CD1-CG 4.32Å; F344-P375 HydrophobicContact CD2-CG 3.66Å; F344-P375 HydrophobicContact CE1-CG 4.35Å; F344-P375 HydrophobicContact CE2-CB 4.19Å; F344-P375 HydrophobicContact CE2-CG 3.69Å; F344-P375 HydrophobicContact CG-CG 3.98Å; F344-P375 HydrophobicContact CZ-CB 4.42Å; F344-P375 HydrophobicContact CZ-CG 4.06Å; F344-L377 HydrophobicContact CZ-CD1 4.28Å |
| 345 | D | 91.6 | Very high | 90.8 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | trans | -138.8 | 123.8 | 163.4 | -172.2 | -53.5 | 0 | 0 | 0 | 106.6 | S343 H347 D348 V351 | S343-D345 WeakPolarHBondContact CB-O 3.34Å; S343-D345 VanDerWaalsContact OG-C 3.23Å; S343-D345 PolarHBondContact OG-O 3.17Å; D345-H347 WeakPolarHBondContact OD1-CA 3.49Å; D345-H347 PolarHBondContact OD1-N 3.17Å; D345-D348 PolarHBondContact OD1-N 2.9Å; D345-V351 HydrophobicContact CB-CB 4.49Å; D345-V351 HydrophobicContact CB-CG1 4.41Å; D345-V351 HydrophobicContact CB-CG2 4.22Å | ||
| 346 | A | 85.4 | Confident | 90.7 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -93.6 | 6.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E336 W338 | E336-A346 HydrophobicContact CB-CB 3.45Å; E336-A346 VanDerWaalsContact CB-CB 3.45Å; E336-A346 HydrophobicContact CG-CB 4.39Å; E336-A346 WeakPolarHBondContact OE2-CB 3.37Å; E336-A346 PolarHBondContact OE2-N 3.04Å; W338-A346 HydrophobicContact CB-CB 3.92Å |
| 347 | H | 82.1 | Confident | 90.7 | Very high | 152 Ų | 152 | 61 Ų | 61 | 70% | 0.704 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -122.3 | -23 | -174.6 | -65.8 | -14.5 | 0 | 0 | 0 | 113.1 | D345 P349 | D345-H347 WeakPolarHBondContact OD1-CA 3.49Å; D345-H347 PolarHBondContact OD1-N 3.17Å; H347-P349 WeakPolarHBondContact O-CD 3.5Å |
| 348 | D | 87.8 | Confident | 90.8 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | -85.8 | 112.1 | 166.9 | -170.8 | -8.3 | 0 | 0 | 0 | 111.8 | D345 C350 V351 | D345-D348 PolarHBondContact OD1-N 2.9Å; D348-C350 PolarHBondContact O-N 3.25Å; D348-C350 VanDerWaalsContact OD1-CB 3.27Å; D348-C350 WeakPolarHBondContact OD1-CB 3.4Å; D348-C350 PolarHBondContact OD1-N 3.28Å; D348-V351 HydrophobicContact CB-CB 4.47Å; D348-V351 HydrophobicContact CB-CG2 3.91Å; D348-V351 PolarHBondContact O-N 3.32Å | ||
| 349 | P | 82.8 | Confident | 91 | Very high | 107 Ų | 107 | 55.5 Ų | 55.5 | 70% | 0.695 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -7.1 | 177.1 | 33.1 | -37.2 | 0 | 0 | 0 | 114 | H347 | H347-P349 WeakPolarHBondContact O-CD 3.5Š|
| 350 | C | 85.2 | Confident | 91.3 | Very high | 117 Ų | 117 | 51.2 Ų | 51.2 | 79% | 0.791 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -13.7 | 173.8 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | D348 | D348-C350 PolarHBondContact O-N 3.25Å; D348-C350 VanDerWaalsContact OD1-CB 3.27Å; D348-C350 WeakPolarHBondContact OD1-CB 3.4Å; D348-C350 PolarHBondContact OD1-N 3.28Å |
| 351 | V | 90.1 | Very high | 91.6 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -80.5 | 139.3 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | D345 D348 H353 | D345-V351 HydrophobicContact CB-CB 4.49Å; D345-V351 HydrophobicContact CB-CG1 4.41Å; D345-V351 HydrophobicContact CB-CG2 4.22Å; D348-V351 HydrophobicContact CB-CB 4.47Å; D348-V351 HydrophobicContact CB-CG2 3.91Å; D348-V351 PolarHBondContact O-N 3.32Å; V351-H353 PolarHBondContact O-N 3.22Å |
| 352 | F | 91.2 | Very high | 91.6 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | trans | -62.6 | 133.6 | -178.6 | 179.9 | -95.3 | 0 | 0 | 0 | 112.1 | S343 L360 H363 Y364 | S343-F352 WeakPolarHBondContact CB-O 3.48Å; F352-L360 HydrophobicContact CD1-CD1 4.05Å; F352-L360 HydrophobicContact CE1-CD1 4.5Å; F352-H363 HydrophobicContact CD1-CB 3.62Å; F352-H363 AromaticContact CD1-CD2 3.55Å; F352-H363 AromaticContact CD1-CG 3.41Å; F352-H363 VanDerWaalsContact CD1-CG 3.41Å; F352-H363 AromaticContact CD1-ND1 3.9Å; F352-H363 AromaticContact CD2-CE1 3.5Å; F352-H363 VanDerWaalsContact CD2-CE1 3.5Å; F352-H363 WeakPolarHBondContact CD2-CE1 3.4Å; F352-H363 AromaticContact CD2-CG 3.93Å; F352-H363 AromaticContact CD2-ND1 3.54Å; F352-H363 AromaticContact CD2-NE2 3.86Å; F352-H363 HydrophobicContact CE1-CB 3.37Å; F352-H363 AromaticContact CE1-CG 3.56Å; F352-H363 AromaticContact CE1-ND1 3.93Å; F352-H363 AromaticContact CE2-CE1 3.96Å; F352-H363 AromaticContact CE2-ND1 3.57Å; F352-H363 HydrophobicContact CG-CB 4.32Å; F352-H363 AromaticContact CG-CD2 3.5Å; F352-H363 AromaticContact CG-CE1 3.67Å; F352-H363 AromaticContact CG-CG 3.6Å; F352-H363 AromaticContact CG-ND1 3.71Å; F352-H363 AromaticContact CG-NE2 3.56Å; F352-H363 HydrophobicContact CZ-CB 3.89Å; F352-H363 AromaticContact CZ-CG 3.88Å; F352-H363 AromaticContact CZ-ND1 3.77Å; F352-Y364 HydrophobicContact CB-CE2 4.28Å; F352-Y364 HydrophobicContact CD1-CE2 4.33Å | ||
| 353 | H | 93.8 | Very high | 91.5 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 40% | 0.403 | 30% | 0.301 | S | S | . | . | trans | -129.5 | 144.9 | 178.7 | 67 | 43.1 | 0 | 0 | 0 | 112.1 | N341 F342 V351 | N341-H353 HydrophobicContact CB-CB 4.07Å; N341-H353 PolarHBondContact ND2-CE1 3.4Å; N341-H353 PolarHBondContact ND2-ND1 3Å; F342-H353 CarbonylContact O-C 3.58Å; F342-H353 VanDerWaalsContact O-CA 3.29Å; F342-H353 WeakPolarHBondContact O-CA 3.43Å; V351-H353 PolarHBondContact O-N 3.22Å | ||
| 354 | S | 94.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -132.5 | 144.8 | -178.2 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | N341 F342 D356 | N341-S354 CarbonylContact C-O 3.48Å; N341-S354 WeakPolarHBondContact CA-O 3.23Å; F342-S354 PolarHBondContact N-O 3.39Å; F342-S354 PolarHBondContact O-N 2.96Å; S354-D356 VanDerWaalsContact CB-O 3.32Å; S354-D356 WeakPolarHBondContact CB-O 3.28Å; S354-D356 PolarHBondContact O-N 3.34Å; S354-D356 PolarHBondContact OG-O 3.03Å; S354-D356 VanDerWaalsContact OG-O 3.09Å |
| 355 | P | 94.1 | Very high | 91.3 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -66.6 | -20.4 | 173.7 | 28.8 | -36.4 | 0 | 0 | 0 | 113.3 | F342 | F342-P355 WeakPolarHBondContact CD2-O 3.44Å; F342-P355 WeakPolarHBondContact CE2-O 3.5Å |
| 356 | D | 94.6 | Very high | 91.2 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -123 | 148.8 | 179.7 | -66.9 | -55.8 | 0 | 0 | 0 | 111 | P276 D277 S354 G359 L360 | P276-D356 WeakPolarHBondContact CG-OD1 3.37Å; D277-D356 HydrophobicContact CB-CB 4.14Å; S354-D356 VanDerWaalsContact CB-O 3.32Å; S354-D356 WeakPolarHBondContact CB-O 3.28Å; S354-D356 PolarHBondContact O-N 3.34Å; S354-D356 PolarHBondContact OG-O 3.03Å; S354-D356 VanDerWaalsContact OG-O 3.09Å; D356-G359 PolarHBondContact O-N 3.26Å; D356-L360 PolarHBondContact O-N 3.34Å |
| 357 | I | 94.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.1 | -32.9 | 179.9 | -69.6 | 178.5 | 0 | 0 | 0 | 111.1 | V275 D277 I281 L310 F320 I335 F342 G359 L360 L361 | V275-I357 HydrophobicContact CG1-CD1 4.3Å; D277-I357 WeakPolarHBondContact OD2-CA 3.11Å; D277-I357 WeakPolarHBondContact OD2-CB 3.37Å; D277-I357 PolarHBondContact OD2-N 3.14Å; I281-I357 HydrophobicContact CD1-CB 3.99Å; I281-I357 HydrophobicContact CD1-CD1 4.02Å; I281-I357 HydrophobicContact CD1-CG2 4.07Å; I281-I357 HydrophobicContact CG1-CB 4.43Å; I281-I357 HydrophobicContact CG1-CG2 4.37Å; L310-I357 HydrophobicContact CD2-CG2 4.29Å; F320-I357 HydrophobicContact CD2-CD1 3.39Å; F320-I357 HydrophobicContact CE2-CD1 3.69Å; F320-I357 HydrophobicContact CG-CD1 4.42Å; I335-I357 HydrophobicContact CD1-CD1 4.42Å; I335-I357 HydrophobicContact CD1-CG2 3.66Å; I335-I357 HydrophobicContact CG2-CD1 4.16Å; I335-I357 HydrophobicContact CG2-CG1 4.23Å; F342-I357 HydrophobicContact CB-CG1 4.15Å; F342-I357 HydrophobicContact CD1-CD1 4.06Å; F342-I357 HydrophobicContact CD1-CG1 4.02Å; F342-I357 HydrophobicContact CD2-CG1 3.84Å; F342-I357 HydrophobicContact CE1-CD1 4.12Å; F342-I357 HydrophobicContact CE1-CG1 4.38Å; F342-I357 HydrophobicContact CE2-CG1 4.22Å; F342-I357 HydrophobicContact CG-CD1 4.29Å; F342-I357 HydrophobicContact CG-CG1 3.73Å; F342-I357 HydrophobicContact CZ-CD1 4.41Å; F342-I357 HydrophobicContact CZ-CG1 4.47Å; I357-G359 VanDerWaalsContact C-N 3.31Å; I357-G359 PolarHBondContact O-N 3.47Å; I357-L360 PolarHBondContact O-N 3.08Å; I357-L361 HydrophobicContact CG2-CD1 4.39Å; I357-L361 HydrophobicContact CG2-CG 4.49Å; I357-L361 WeakPolarHBondContact O-CG 3.41Å; I357-L361 PolarHBondContact O-N 3.19Å |
| 358 | T | 94.3 | Very high | 91.1 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57 | -43.2 | 169.9 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | D277 Q280 L361 E362 | D277-T358 PolarHBondContact OD2-N 2.96Å; Q280-T358 HydrophobicContact CB-CG2 3.78Å; Q280-T358 PolarHBondContact OE1-OG1 2.7Å; T358-L361 PolarHBondContact O-N 3.39Å; T358-E362 PolarHBondContact O-N 3.06Å |
| 359 | G | 93.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.2 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D356 I357 E362 H363 | D356-G359 PolarHBondContact O-N 3.26Å; I357-G359 VanDerWaalsContact C-N 3.31Å; I357-G359 PolarHBondContact O-N 3.47Å; G359-E362 PolarHBondContact O-N 3.38Å; G359-H363 PolarHBondContact O-N 2.77Å; G359-H363 VanDerWaalsContact O-N 3.16Å |
| 360 | L | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 172.3 | -178.8 | 63.6 | 0 | 0 | 0 | 111.8 | I335 F342 F344 F352 D356 I357 Y364 | I335-L360 HydrophobicContact CD1-CD2 4.38Å; I335-L360 HydrophobicContact CG1-CD2 4.34Å; I335-L360 HydrophobicContact CG2-CD2 3.9Å; F342-L360 HydrophobicContact CB-CD2 4.27Å; F344-L360 HydrophobicContact CD2-CD1 4.22Å; F344-L360 HydrophobicContact CE1-CD2 4.43Å; F344-L360 HydrophobicContact CE2-CD1 4.1Å; F344-L360 HydrophobicContact CE2-CD2 4.23Å; F344-L360 HydrophobicContact CE2-CG 4.01Å; F344-L360 HydrophobicContact CZ-CD2 4.17Å; F344-L360 HydrophobicContact CZ-CG 4.26Å; F352-L360 HydrophobicContact CD1-CD1 4.05Å; F352-L360 HydrophobicContact CE1-CD1 4.5Å; D356-L360 PolarHBondContact O-N 3.34Å; I357-L360 PolarHBondContact O-N 3.08Å; L360-Y364 HydrophobicContact CD1-CD2 4.03Å; L360-Y364 HydrophobicContact CD1-CE2 3.86Å; L360-Y364 WeakPolarHBondContact O-CD2 3.35Å |
| 361 | L | 94.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.6 | -33.6 | 177.7 | -67.2 | 176 | 0 | 0 | 0 | 112.9 | F308 L310 V322 I357 T358 L377 | F308-L361 HydrophobicContact CE2-CD2 4.19Å; L310-L361 HydrophobicContact CD2-CD1 4.18Å; V322-L361 HydrophobicContact CG2-CD2 3.64Å; I357-L361 HydrophobicContact CG2-CD1 4.39Å; I357-L361 HydrophobicContact CG2-CG 4.49Å; I357-L361 WeakPolarHBondContact O-CG 3.41Å; I357-L361 PolarHBondContact O-N 3.19Å; T358-L361 PolarHBondContact O-N 3.39Å; L361-L377 HydrophobicContact CD2-CD1 3.62Å |
| 362 | E | 93.8 | Very high | 90.5 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -73.8 | -34.6 | 179.7 | -177.5 | 142.1 | -120.4 | 0 | 0 | 112.9 | T358 G359 Y364 K365 | T358-E362 PolarHBondContact O-N 3.06Å; G359-E362 PolarHBondContact O-N 3.38Å; E362-Y364 PolarHBondContact O-N 3.38Å; E362-K365 HydrophobicContact CG-CD 4.38Å; E362-K365 WeakPolarHBondContact O-CB 3.12Å; E362-K365 PolarHBondContact O-N 3.29Å; E362-K365 IonicContact OE1-NZ 2.94Å; E362-K365 PolarHBondContact OE1-NZ 3.24Å |
| 363 | H | 92.6 | Very high | 90.2 | Very high | 74 Ų | 74 | 63 Ų | 63 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 173.9 | -177.8 | 84.8 | 0 | 0 | 0 | 112.2 | F352 G359 K365 | F352-H363 HydrophobicContact CD1-CB 3.62Å; F352-H363 AromaticContact CD1-CD2 3.55Å; F352-H363 AromaticContact CD1-CG 3.41Å; F352-H363 VanDerWaalsContact CD1-CG 3.41Å; F352-H363 AromaticContact CD1-ND1 3.9Å; F352-H363 AromaticContact CD2-CE1 3.5Å; F352-H363 VanDerWaalsContact CD2-CE1 3.5Å; F352-H363 WeakPolarHBondContact CD2-CE1 3.4Å; F352-H363 AromaticContact CD2-CG 3.93Å; F352-H363 AromaticContact CD2-ND1 3.54Å; F352-H363 AromaticContact CD2-NE2 3.86Å; F352-H363 HydrophobicContact CE1-CB 3.37Å; F352-H363 AromaticContact CE1-CG 3.56Å; F352-H363 AromaticContact CE1-ND1 3.93Å; F352-H363 AromaticContact CE2-CE1 3.96Å; F352-H363 AromaticContact CE2-ND1 3.57Å; F352-H363 HydrophobicContact CG-CB 4.32Å; F352-H363 AromaticContact CG-CD2 3.5Å; F352-H363 AromaticContact CG-CE1 3.67Å; F352-H363 AromaticContact CG-CG 3.6Å; F352-H363 AromaticContact CG-ND1 3.71Å; F352-H363 AromaticContact CG-NE2 3.56Å; F352-H363 HydrophobicContact CZ-CB 3.89Å; F352-H363 AromaticContact CZ-CG 3.88Å; F352-H363 AromaticContact CZ-ND1 3.77Å; G359-H363 PolarHBondContact O-N 2.77Å; G359-H363 VanDerWaalsContact O-N 3.16Å; H363-K365 PolarHBondContact O-N 3Å; H363-K365 VanDerWaalsContact O-N 3.16Å |
| 364 | Y | 93.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 15.1 | -176.1 | -76.6 | -67.2 | 0 | 0 | 0 | 115 | F344 F352 L360 E362 C370 E374 P375 L377 | F344-Y364 AromaticContact CD2-CD2 3.83Å; F344-Y364 HydrophobicContact CD2-CD2 3.83Å; F344-Y364 AromaticContact CD2-CE2 3.63Å; F344-Y364 HydrophobicContact CD2-CE2 3.63Å; F344-Y364 AromaticContact CE2-CD2 3.46Å; F344-Y364 HydrophobicContact CE2-CD2 3.46Å; F344-Y364 VanDerWaalsContact CE2-CD2 3.46Å; F344-Y364 AromaticContact CE2-CE2 3.79Å; F344-Y364 HydrophobicContact CE2-CE2 3.79Å; F344-Y364 HydrophobicContact CE2-CG 4.09Å; F352-Y364 HydrophobicContact CB-CE2 4.28Å; F352-Y364 HydrophobicContact CD1-CE2 4.33Å; L360-Y364 HydrophobicContact CD1-CD2 4.03Å; L360-Y364 HydrophobicContact CD1-CE2 3.86Å; L360-Y364 WeakPolarHBondContact O-CD2 3.35Å; E362-Y364 PolarHBondContact O-N 3.38Å; Y364-C370 PolarHBondContact O-SG 3.44Å; Y364-E374 HydrophobicContact CD1-CB 4.18Å; Y364-E374 HydrophobicContact CE1-CB 3.72Å; Y364-E374 VanDerWaalsContact CE1-CD 3.46Å; Y364-E374 HydrophobicContact CE1-CG 4.03Å; Y364-E374 WeakPolarHBondContact CE1-OE1 3.43Å; Y364-E374 PolarHBondContact OH-OE1 3.01Å; Y364-P375 WeakPolarHBondContact CD1-O 3.33Å; Y364-L377 WeakPolarHBondContact O-CA 3.33Å; Y364-L377 WeakPolarHBondContact O-CB 3.39Å; Y364-L377 PolarHBondContact O-N 2.97Å |
| 365 | K | 92.8 | Very high | 89.8 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -37.9 | -178 | -177.7 | -177.1 | 171.2 | -165.4 | 0 | 113 | E362 H363 P367 S378 | E362-K365 HydrophobicContact CG-CD 4.38Å; E362-K365 WeakPolarHBondContact O-CB 3.12Å; E362-K365 PolarHBondContact O-N 3.29Å; E362-K365 IonicContact OE1-NZ 2.94Å; E362-K365 PolarHBondContact OE1-NZ 3.24Å; H363-K365 PolarHBondContact O-N 3Å; H363-K365 VanDerWaalsContact O-N 3.16Å; K365-P367 WeakPolarHBondContact O-CD 3.45Å; K365-S378 WeakPolarHBondContact O-CA 3.33Å; K365-S378 WeakPolarHBondContact O-CB 3.42Å |
| 366 | D | 89.3 | Confident | 89.8 | Confident | 90 Ų | 90 | 57 Ų | 57 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | trans | -88.5 | 117.3 | -168.4 | -75.8 | -10.3 | 0 | 0 | 0 | 111.9 | S368 A369 C370 | D366-S368 PolarHBondContact O-N 2.92Å; D366-S368 VanDerWaalsContact O-N 3.09Å; D366-A369 HydrophobicContact CB-CB 4.46Å; D366-A369 PolarHBondContact O-N 3.11Å; D366-C370 PolarHBondContact O-N 2.96Å; D366-C370 PolarHBondContact O-SG 2.84Å | ||
| 367 | P | 84 | Confident | 89.8 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.5 | -174.7 | -21.6 | 31.3 | 0 | 0 | 0 | 114.9 | K365 L376 | K365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-L376 HydrophobicContact CB-CD1 4.05Å; P367-L376 HydrophobicContact CG-CD1 4.11Å |
| 368 | S | 81.6 | Confident | 89.7 | Confident | 119 Ų | 119 | 56.6 Ų | 56.6 | 83% | 0.832 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -15.9 | 176.8 | 46.8 | 0 | 0 | 0 | 0 | 114 | D366 | D366-S368 PolarHBondContact O-N 2.92Å; D366-S368 VanDerWaalsContact O-N 3.09Å |
| 369 | A | 76.8 | Confident | 89.8 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -26.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D366 M371 | D366-A369 HydrophobicContact CB-CB 4.46Å; D366-A369 PolarHBondContact O-N 3.11Å; A369-M371 PolarHBondContact O-N 3.16Å |
| 370 | C | 85.7 | Confident | 89.9 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | trans | -82.6 | 109 | -171 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | R326 Y364 D366 L376 | R326-C370 PolarHBondContact NH2-O 3.07Å; Y364-C370 PolarHBondContact O-SG 3.44Å; D366-C370 PolarHBondContact O-N 2.96Å; D366-C370 PolarHBondContact O-SG 2.84Å; C370-L376 HydrophobicContact CB-CD1 4.13Å | ||
| 371 | M | 87.4 | Confident | 90 | Very high | 106 Ų | 106 | 61 Ų | 61 | 52% | 0.522 | 33% | 0.331 | S | S | . | . | trans | -60.5 | 161.3 | 173.5 | -65.5 | -72.3 | -84.4 | 0 | 0 | 111.8 | R326 A369 F373 E374 | R326-M371 PolarHBondContact NH1-O 3.45Å; R326-M371 PolarHBondContact NH2-O 3.23Å; A369-M371 PolarHBondContact O-N 3.16Å; M371-F373 HydrophobicContact CB-CD1 4.01Å; M371-F373 HydrophobicContact CB-CE1 3.53Å; M371-F373 HydrophobicContact CB-CE2 4.45Å; M371-F373 HydrophobicContact CB-CZ 3.78Å; M371-F373 HydrophobicContact CE-CE1 4.21Å; M371-F373 HydrophobicContact CG-CE1 4.19Å; M371-F373 HydrophobicContact CG-CZ 4.24Å; M371-F373 PolarHBondContact O-N 3.4Å; M371-F373 VanDerWaalsContact O-N 3.11Å; M371-E374 HydrophobicContact CB-CG 4.07Å; M371-E374 VanDerWaalsContact CB-OE2 3.3Å; M371-E374 WeakPolarHBondContact CB-OE2 3.35Å; M371-E374 PolarHBondContact N-OE2 3.09Å; M371-E374 PolarHBondContact O-N 3.23Å; M371-E374 VanDerWaalsContact O-N 3.09Å | ||
| 372 | F | 83.3 | Confident | 90.2 | Very high | 148 Ų | 148 | 65 Ų | 65 | 65% | 0.649 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.9 | -171.1 | 70.6 | -92.2 | 0 | 0 | 0 | 115.2 | R326 Y327 | R326-F372 PolarHBondContact NH1-O 3.43Å; Y327-F372 WeakPolarHBondContact OH-CA 3.4Å; Y327-F372 WeakPolarHBondContact OH-CB 3.44Å; Y327-F372 PolarHBondContact OH-O 3.47Å |
| 373 | F | 83.6 | Confident | 90.3 | Very high | 131 Ų | 131 | 61.5 Ų | 61.5 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -14.2 | 179.7 | 55 | -93.3 | 0 | 0 | 0 | 113.5 | M371 | M371-F373 HydrophobicContact CB-CD1 4.01Å; M371-F373 HydrophobicContact CB-CE1 3.53Å; M371-F373 HydrophobicContact CB-CE2 4.45Å; M371-F373 HydrophobicContact CB-CZ 3.78Å; M371-F373 HydrophobicContact CE-CE1 4.21Å; M371-F373 HydrophobicContact CG-CE1 4.19Å; M371-F373 HydrophobicContact CG-CZ 4.24Å; M371-F373 PolarHBondContact O-N 3.4Å; M371-F373 VanDerWaalsContact O-N 3.11Å |
| 374 | E | 89.4 | Confident | 90.5 | Very high | 25 Ų | 25 | 63.1 Ų | 63.1 | 12% | 0.117 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -85.5 | 165.7 | -171.4 | -61.3 | -175.3 | 113 | 0 | 0 | 113.1 | R326 Y364 M371 | R326-E374 PolarHBondContact NH1-O 3.38Å; Y364-E374 HydrophobicContact CD1-CB 4.18Å; Y364-E374 HydrophobicContact CE1-CB 3.72Å; Y364-E374 VanDerWaalsContact CE1-CD 3.46Å; Y364-E374 HydrophobicContact CE1-CG 4.03Å; Y364-E374 WeakPolarHBondContact CE1-OE1 3.43Å; Y364-E374 PolarHBondContact OH-OE1 3.01Å; M371-E374 HydrophobicContact CB-CG 4.07Å; M371-E374 VanDerWaalsContact CB-OE2 3.3Å; M371-E374 WeakPolarHBondContact CB-OE2 3.35Å; M371-E374 PolarHBondContact N-OE2 3.09Å; M371-E374 PolarHBondContact O-N 3.23Å; M371-E374 VanDerWaalsContact O-N 3.09Å |
| 375 | P | 90.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 66.2 Ų | 66.2 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | trans | -67.1 | 135.2 | 168.3 | -21.5 | 37.1 | 0 | 0 | 0 | 111.3 | F324 A333 F344 Y364 L377 | F324-P375 HydrophobicContact CD1-CB 4.18Å; F324-P375 HydrophobicContact CE1-CB 3.87Å; F324-P375 HydrophobicContact CE1-CG 4.16Å; F324-P375 HydrophobicContact CE2-CB 4.36Å; F324-P375 HydrophobicContact CZ-CB 3.97Å; F324-P375 HydrophobicContact CZ-CG 4.29Å; A333-P375 HydrophobicContact CB-CG 3.85Å; F344-P375 HydrophobicContact CD1-CG 4.32Å; F344-P375 HydrophobicContact CD2-CG 3.66Å; F344-P375 HydrophobicContact CE1-CG 4.35Å; F344-P375 HydrophobicContact CE2-CB 4.19Å; F344-P375 HydrophobicContact CE2-CG 3.69Å; F344-P375 HydrophobicContact CG-CG 3.98Å; F344-P375 HydrophobicContact CZ-CB 4.42Å; F344-P375 HydrophobicContact CZ-CG 4.06Å; Y364-P375 WeakPolarHBondContact CD1-O 3.33Å; P375-L377 HydrophobicContact CB-CD1 4.33Å; P375-L377 HydrophobicContact CB-CD2 3.82Å; P375-L377 HydrophobicContact CB-CG 4.04Å | ||
| 376 | L | 93.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 67.4 Ų | 67.4 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | trans | -108.8 | 112 | 171.2 | 178 | 61 | 0 | 0 | 0 | 108.9 | E305 G306 P367 C370 | E305-L376 HydrophobicContact CG-CD2 4.17Å; G306-L376 WeakPolarHBondContact CA-O 3.24Å; P367-L376 HydrophobicContact CB-CD1 4.05Å; P367-L376 HydrophobicContact CG-CD1 4.11Å; C370-L376 HydrophobicContact CB-CD1 4.13Å | ||
| 377 | L | 94.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | trans | -120 | 42.4 | -165.6 | -48.7 | -175.3 | 0 | 0 | 0 | 111.8 | F308 V322 F324 F344 L361 Y364 P375 | F308-L377 HydrophobicContact CB-CD2 3.66Å; F308-L377 VanDerWaalsContact CD1-C 3.45Å; F308-L377 HydrophobicContact CD1-CB 3.77Å; F308-L377 HydrophobicContact CD1-CD2 4.49Å; F308-L377 WeakPolarHBondContact CD1-O 3.21Å; F308-L377 HydrophobicContact CD2-CB 4.15Å; F308-L377 HydrophobicContact CD2-CD2 4.03Å; F308-L377 HydrophobicContact CD2-CG 4.47Å; F308-L377 HydrophobicContact CE1-CB 3.93Å; F308-L377 WeakPolarHBondContact CE1-O 3.3Å; F308-L377 HydrophobicContact CE2-CB 4.28Å; F308-L377 HydrophobicContact CG-CB 3.88Å; F308-L377 HydrophobicContact CG-CD2 3.82Å; F308-L377 HydrophobicContact CG-CG 4.39Å; F308-L377 HydrophobicContact CZ-CB 4.17Å; V322-L377 HydrophobicContact CG1-CD1 4.17Å; V322-L377 HydrophobicContact CG1-CD2 3.51Å; F324-L377 HydrophobicContact CB-CD2 3.85Å; F324-L377 HydrophobicContact CD1-CD2 4.43Å; F324-L377 HydrophobicContact CG-CD2 4.15Å; F344-L377 HydrophobicContact CZ-CD1 4.28Å; L361-L377 HydrophobicContact CD2-CD1 3.62Å; Y364-L377 WeakPolarHBondContact O-CA 3.33Å; Y364-L377 WeakPolarHBondContact O-CB 3.39Å; Y364-L377 PolarHBondContact O-N 2.97Å; P375-L377 HydrophobicContact CB-CD1 4.33Å; P375-L377 HydrophobicContact CB-CD2 3.82Å; P375-L377 HydrophobicContact CB-CG 4.04Å | ||
| 378 | S | 93.6 | Very high | 91.7 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | trans | -73 | -31.9 | -173.8 | 68.2 | 0 | 0 | 0 | 0 | 114.1 | G306 K365 | G306-S378 WeakPolarHBondContact CA-OG 3.41Å; G306-S378 PolarHBondContact O-N 3.28Å; G306-S378 PolarHBondContact O-OG 2.63Å; K365-S378 WeakPolarHBondContact O-CA 3.33Å; K365-S378 WeakPolarHBondContact O-CB 3.42Å | ||
| 379 | T | 95.7 | Very high | 92.5 | Very high | 63 Ų | 63 | 63 Ų | 63 | 39% | 0.387 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 101.4 | -167.9 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | G306 T307 F308 L381 | G306-T379 PolarHBondContact O-N 2.76Å; T307-T379 CarbonylContact C-O 3.55Å; T307-T379 VanDerWaalsContact CA-O 3.3Å; T307-T379 WeakPolarHBondContact CA-O 3.37Å; F308-T379 WeakPolarHBondContact CD1-O 3.45Å; F308-T379 PolarHBondContact N-O 3.4Å; T379-L381 PolarHBondContact O-N 3.3Å |
| 380 | P | 97.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 38% | 0.383 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.3 | -179 | 27.3 | -33.2 | 0 | 0 | 0 | 112 | C286 F308 I382 | C286-P380 HydrophobicContact CB-CB 3.57Å; F308-P380 HydrophobicContact CE1-CB 3.81Å; F308-P380 HydrophobicContact CE1-CG 4.47Å; F308-P380 HydrophobicContact CZ-CB 3.95Å; P380-I382 PolarHBondContact O-N 2.97Å |
| 381 | L | 97.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | trans | -80.3 | 106.8 | 172.7 | -169.2 | 73.5 | 0 | 0 | 0 | 109.7 | W288 L299 L300 T307 F308 L309 T379 R383 | W288-L381 HydrophobicContact CZ2-CD2 4.12Å; W288-L381 HydrophobicContact CZ2-CG 4.14Å; W288-L381 PolarHBondContact NE1-O 2.75Å; L299-L381 HydrophobicContact CB-CD2 3.86Å; L300-L381 HydrophobicContact CD2-CD2 4.47Å; T307-L381 HydrophobicContact CG2-CB 4.13Å; T307-L381 HydrophobicContact CG2-CD1 4.21Å; F308-L381 WeakPolarHBondContact O-CB 3.41Å; F308-L381 PolarHBondContact O-N 3.29Å; L309-L381 HydrophobicContact CB-CB 4.39Å; L309-L381 HydrophobicContact CD2-CD2 3.91Å; T379-L381 PolarHBondContact O-N 3.3Å; L381-R383 PolarHBondContact O-N 2.86Å | ||
| 382 | I | 97.3 | Very high | 94.4 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 48% | 0.482 | 34% | 0.335 | S | S | . | . | trans | -66.8 | 124.4 | -173.7 | -54.2 | -58.5 | 0 | 0 | 0 | 112.2 | P285 W288 P380 | P285-I382 HydrophobicContact CB-CD1 3.81Å; P285-I382 HydrophobicContact CB-CG2 4.17Å; P285-I382 HydrophobicContact CG-CD1 3.83Å; W288-I382 VanDerWaalsContact CZ2-O 3.29Å; W288-I382 WeakPolarHBondContact CZ2-O 3.27Å; P380-I382 PolarHBondContact O-N 2.97Å | ||
| 383 | R | 96 | Very high | 95 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 18% | 0.177 | 32% | 0.321 | C | S | . | . | trans | -61.2 | 135.1 | 171.5 | 171.4 | 176.4 | 48.2 | 112.6 | -7.2 | 111.5 | N282 P285 Y287 W288 L381 F385 | N282-R383 PolarHBondContact O-NH2 3.48Å; P285-R383 PolarHBondContact O-N 3.5Å; Y287-R383 VanDerWaalsContact O-CD 3.32Å; Y287-R383 WeakPolarHBondContact O-CD 3.41Å; Y287-R383 PolarHBondContact O-NE 2.91Å; W288-R383 HydrophobicContact CD2-CB 4.11Å; W288-R383 HydrophobicContact CD2-CG 4.46Å; W288-R383 HydrophobicContact CE3-CG 4.48Å; W288-R383 HydrophobicContact CG-CB 4.36Å; W288-R383 HydrophobicContact CZ2-CB 4.48Å; L381-R383 PolarHBondContact O-N 2.86Å; R383-F385 VanDerWaalsContact CD-O 3.31Å; R383-F385 WeakPolarHBondContact CD-O 3.43Å; R383-F385 HydrophobicContact CG-CD1 4.01Å; R383-F385 HydrophobicContact CG-CD2 4.41Å; R383-F385 HydrophobicContact CG-CE1 3.92Å; R383-F385 HydrophobicContact CG-CE2 4.32Å; R383-F385 HydrophobicContact CG-CG 4.26Å; R383-F385 HydrophobicContact CG-CZ 4.07Å; R383-F385 WeakPolarHBondContact CG-O 3.3Å; R383-F385 PolarHBondContact NH1-O 3.04Å | ||
| 384 | T | 96.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 52.5 Ų | 52.5 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | trans | -101.5 | 6.3 | -172.7 | 54.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 385 | F | 95.4 | Very high | 96 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -141.6 | 148 | -176.8 | 60.8 | -91.8 | 0 | 0 | 0 | 112.6 | W32 W288 R383 F387 | W32-F385 HydrophobicContact CZ2-CB 4.23Å; W288-F385 AromaticContact CE3-CE1 3.62Å; W288-F385 HydrophobicContact CE3-CE1 3.62Å; W288-F385 HydrophobicContact CE3-CZ 4.24Å; W288-F385 HydrophobicContact CZ3-CD1 4.43Å; W288-F385 AromaticContact CZ3-CE1 3.83Å; W288-F385 HydrophobicContact CZ3-CE1 3.83Å; R383-F385 VanDerWaalsContact CD-O 3.31Å; R383-F385 WeakPolarHBondContact CD-O 3.43Å; R383-F385 HydrophobicContact CG-CD1 4.01Å; R383-F385 HydrophobicContact CG-CD2 4.41Å; R383-F385 HydrophobicContact CG-CE1 3.92Å; R383-F385 HydrophobicContact CG-CE2 4.32Å; R383-F385 HydrophobicContact CG-CG 4.26Å; R383-F385 HydrophobicContact CG-CZ 4.07Å; R383-F385 WeakPolarHBondContact CG-O 3.3Å; R383-F385 PolarHBondContact NH1-O 3.04Å; F385-F387 HydrophobicContact CE2-CD1 4.18Å; F385-F387 HydrophobicContact CE2-CE1 4.07Å |
| 386 | P | 96.2 | Very high | 96.3 | Very high | 113 Ų | 113 | 54.5 Ų | 54.5 | 73% | 0.734 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 154.8 | 174 | 32.6 | -35.5 | 0 | 0 | 0 | 112 | ||
| 387 | F | 96.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 167.3 | 171.9 | -65.2 | -45.9 | 0 | 0 | 0 | 111.8 | N282 Y287 F385 H391 I392 | N282-F387 WeakPolarHBondContact OD1-CD2 3.49Å; N282-F387 VanDerWaalsContact OD1-CE2 3.24Å; N282-F387 WeakPolarHBondContact OD1-CE2 3.42Å; Y287-F387 AromaticContact CD1-CE2 3.65Å; Y287-F387 HydrophobicContact CD1-CE2 3.65Å; Y287-F387 AromaticContact CD1-CZ 3.57Å; Y287-F387 HydrophobicContact CD1-CZ 3.57Å; Y287-F387 AromaticContact CE1-CE2 3.82Å; Y287-F387 HydrophobicContact CE1-CE2 3.82Å; Y287-F387 AromaticContact CE1-CZ 3.7Å; Y287-F387 HydrophobicContact CE1-CZ 3.7Å; F385-F387 HydrophobicContact CE2-CD1 4.18Å; F385-F387 HydrophobicContact CE2-CE1 4.07Å; F387-H391 AromaticContact CE2-NE2 3.97Å; F387-I392 HydrophobicContact CB-CD1 4.43Å; F387-I392 HydrophobicContact CB-CG1 4.2Å |
| 388 | S | 97.1 | Very high | 96.5 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 47% | 0.469 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 148.4 | 175.4 | 72.8 | 0 | 0 | 0 | 0 | 111.4 | Q390 H391 I392 | S388-Q390 PolarHBondContact O-N 2.93Å; S388-H391 PolarHBondContact O-N 2.84Å; S388-H391 WeakPolarHBondContact OG-CB 3.35Å; S388-H391 PolarHBondContact OG-N 2.86Å; S388-I392 WeakPolarHBondContact O-CG1 3.4Å; S388-I392 PolarHBondContact O-N 3.39Å |
| 389 | L | 97.6 | Very high | 96.6 | Very high | 100 Ų | 100 | 59.6 Ų | 59.6 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.6 | -36.4 | 176.5 | 179.9 | 61.4 | 0 | 0 | 0 | 111.9 | H391 I392 C393 | L389-H391 VanDerWaalsContact C-N 3.34Å; L389-H391 PolarHBondContact O-N 3.39Å; L389-I392 PolarHBondContact O-N 2.87Å; L389-C393 WeakPolarHBondContact O-CB 3.29Å; L389-C393 PolarHBondContact O-N 3.2Å; L389-C393 PolarHBondContact O-SG 3.37Å |
| 390 | Q | 95.9 | Very high | 96.5 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.2 | -171.6 | -173.3 | -29.9 | 0 | 0 | 112.3 | S388 R394 Y418 | S388-Q390 PolarHBondContact O-N 2.93Å; Q390-R394 WeakPolarHBondContact O-CB 3.49Å; Q390-R394 PolarHBondContact O-N 3.18Å; Q390-Y418 HydrophobicContact CG-CD1 4.28Å; Q390-Y418 HydrophobicContact CG-CE1 3.62Å; Q390-Y418 VanDerWaalsContact NE2-CE1 3.31Å |
| 391 | H | 96.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 176.8 | -171.3 | 95.1 | 0 | 0 | 0 | 111.7 | N282 Y287 F387 S388 L389 R394 T395 Y418 Y422 | N282-H391 PolarHBondContact ND2-NE2 3.29Å; N282-H391 PolarHBondContact OD1-CD2 3.05Å; N282-H391 PolarHBondContact OD1-NE2 2.97Å; Y287-H391 AromaticContact CE1-NE2 3.48Å; Y287-H391 WeakPolarHBondContact CE1-NE2 3.37Å; F387-H391 AromaticContact CE2-NE2 3.97Å; S388-H391 PolarHBondContact O-N 2.84Å; S388-H391 WeakPolarHBondContact OG-CB 3.35Å; S388-H391 PolarHBondContact OG-N 2.86Å; L389-H391 VanDerWaalsContact C-N 3.34Å; L389-H391 PolarHBondContact O-N 3.39Å; H391-R394 WeakPolarHBondContact O-CB 3.42Å; H391-R394 PolarHBondContact O-N 3.27Å; H391-R394 VanDerWaalsContact O-N 3.17Å; H391-T395 WeakPolarHBondContact O-CG2 3.47Å; H391-T395 PolarHBondContact O-N 3.5Å; H391-Y418 WeakPolarHBondContact CA-OH 3.5Å; H391-Y422 AromaticContact CE1-CE2 2.94Å; H391-Y422 WeakPolarHBondContact CE1-CE2 3.49Å; H391-Y422 AromaticContact CE1-CZ 3.07Å; H391-Y422 PolarHBondContact CE1-OH 2.91Å |
| 392 | I | 97.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.5 | -62.6 | 165.2 | 0 | 0 | 0 | 111.4 | F387 S388 L389 R394 T395 V396 | F387-I392 HydrophobicContact CB-CD1 4.43Å; F387-I392 HydrophobicContact CB-CG1 4.2Å; S388-I392 WeakPolarHBondContact O-CG1 3.4Å; S388-I392 PolarHBondContact O-N 3.39Å; L389-I392 PolarHBondContact O-N 2.87Å; I392-R394 VanDerWaalsContact C-N 3.32Å; I392-R394 PolarHBondContact O-N 3.46Å; I392-T395 PolarHBondContact O-OG1 3.48Å; I392-V396 WeakPolarHBondContact O-CG2 3.41Å; I392-V396 PolarHBondContact O-N 3.03Å |
| 393 | C | 96.9 | Very high | 96.3 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 173.3 | -71.2 | 0 | 0 | 0 | 0 | 111.8 | L389 I397 | L389-C393 WeakPolarHBondContact O-CB 3.29Å; L389-C393 PolarHBondContact O-N 3.2Å; L389-C393 PolarHBondContact O-SG 3.37Å; C393-I397 WeakPolarHBondContact O-CD1 3.34Å; C393-I397 VanDerWaalsContact O-CG1 3.22Å; C393-I397 WeakPolarHBondContact O-CG1 3.39Å; C393-I397 PolarHBondContact O-N 2.88Å |
| 394 | R | 96.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 178.1 | 161.1 | 174 | -178.5 | -160.5 | 12.9 | 112.6 | Q390 H391 I392 V396 I397 C398 Y418 L419 E421 Y422 | Q390-R394 WeakPolarHBondContact O-CB 3.49Å; Q390-R394 PolarHBondContact O-N 3.18Å; H391-R394 WeakPolarHBondContact O-CB 3.42Å; H391-R394 PolarHBondContact O-N 3.27Å; H391-R394 VanDerWaalsContact O-N 3.17Å; I392-R394 VanDerWaalsContact C-N 3.32Å; I392-R394 PolarHBondContact O-N 3.46Å; R394-V396 VanDerWaalsContact C-N 3.29Å; R394-V396 PolarHBondContact O-N 3.15Å; R394-I397 PolarHBondContact O-N 2.84Å; R394-I397 VanDerWaalsContact O-N 3.15Å; R394-C398 WeakPolarHBondContact O-CB 3.22Å; R394-C398 PolarHBondContact O-N 2.99Å; R394-C398 PolarHBondContact O-SG 3.4Å; R394-C398 VanDerWaalsContact O-SG 3.37Å; R394-Y418 HydrophobicContact CB-CE1 3.88Å; R394-Y418 VanDerWaalsContact CD-CE1 3.44Å; R394-Y418 HydrophobicContact CG-CE1 4.3Å; R394-Y418 PolarHBondContact NE-O 2.99Å; R394-Y418 PolarHBondContact NH1-O 3.31Å; R394-Y418 PolarHBondContact NH2-O 2.9Å; R394-L419 HydrophobicContact CB-CD2 3.76Å; R394-L419 HydrophobicContact CG-CD2 3.69Å; R394-L419 PolarHBondContact NE-O 3.38Å; R394-L419 PolarHBondContact NH2-O 3.5Å; R394-L419 VanDerWaalsContact NH2-O 3.08Å; R394-E421 IonicContact CZ-OE2 3.48Å; R394-E421 IonicContact NH1-OE2 3.85Å; R394-E421 PolarHBondContact NH1-OE2 2.8Å; R394-E421 IonicContact NH2-OE2 2.67Å; R394-E421 PolarHBondContact NH2-OE2 3.35Å; R394-Y422 VanDerWaalsContact NH1-CE2 3.32Å |
| 395 | T | 96.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -39.7 | -177 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | L278 N282 H391 I392 N399 | L278-T395 HydrophobicContact CG-CG2 4.32Å; N282-T395 HydrophobicContact CB-CG2 3.91Å; N282-T395 VanDerWaalsContact CG-CG2 3.42Å; N282-T395 VanDerWaalsContact ND2-CG2 3.34Å; N282-T395 WeakPolarHBondContact ND2-CG2 3.24Å; H391-T395 WeakPolarHBondContact O-CG2 3.47Å; H391-T395 PolarHBondContact O-N 3.5Å; I392-T395 PolarHBondContact O-OG1 3.48Å; T395-N399 WeakPolarHBondContact O-CB 3.33Å; T395-N399 PolarHBondContact O-N 3.01Å |
| 396 | V | 97.2 | Very high | 96.1 | Very high | 74 Ų | 74 | 56.5 Ų | 56.5 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 172.7 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | L279 I392 R394 N399 C400 | L279-V396 HydrophobicContact CD1-CG2 4.12Å; I392-V396 WeakPolarHBondContact O-CG2 3.41Å; I392-V396 PolarHBondContact O-N 3.03Å; R394-V396 VanDerWaalsContact C-N 3.29Å; R394-V396 PolarHBondContact O-N 3.15Å; V396-N399 PolarHBondContact O-N 3.37Å; V396-C400 PolarHBondContact O-N 3.01Å; V396-C400 PolarHBondContact O-SG 3.22Å |
| 397 | I | 96.2 | Very high | 96.1 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 35% | 0.354 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 177.1 | -69 | 162.5 | 0 | 0 | 0 | 111.1 | C393 R394 N399 C400 T401 L409 L419 | C393-I397 WeakPolarHBondContact O-CD1 3.34Å; C393-I397 VanDerWaalsContact O-CG1 3.22Å; C393-I397 WeakPolarHBondContact O-CG1 3.39Å; C393-I397 PolarHBondContact O-N 2.88Å; R394-I397 PolarHBondContact O-N 2.84Å; R394-I397 VanDerWaalsContact O-N 3.15Å; I397-N399 VanDerWaalsContact C-N 3.3Å; I397-N399 PolarHBondContact O-N 3.03Å; I397-C400 CarbonylContact O-C 3.59Å; I397-C400 PolarHBondContact O-N 3.15Å; I397-T401 HydrophobicContact CG2-CG2 4.47Å; I397-T401 WeakPolarHBondContact O-CG2 3.35Å; I397-T401 PolarHBondContact O-N 2.7Å; I397-L409 HydrophobicContact CG2-CD1 4.04Å; I397-L419 HydrophobicContact CB-CD2 4.22Å; I397-L419 HydrophobicContact CD1-CD2 4.37Å; I397-L419 HydrophobicContact CG2-CD1 3.78Å; I397-L419 HydrophobicContact CG2-CD2 4.07Å |
| 398 | C | 95.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -34.1 | 178.2 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | L274 L278 R394 C400 T401 | L274-C398 HydrophobicContact CD1-CB 4.26Å; L278-C398 HydrophobicContact CD2-CB 4.05Å; R394-C398 WeakPolarHBondContact O-CB 3.22Å; R394-C398 PolarHBondContact O-N 2.99Å; R394-C398 PolarHBondContact O-SG 3.4Å; R394-C398 VanDerWaalsContact O-SG 3.37Å; C398-C400 PolarHBondContact O-N 3.46Å; C398-T401 PolarHBondContact O-N 2.89Å; C398-T401 VanDerWaalsContact O-O 3.06Å |
| 399 | N | 95.8 | Very high | 96 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14 | 173.4 | -164.2 | 108.5 | 0 | 0 | 0 | 113.2 | L279 T395 V396 I397 | L279-N399 HydrophobicContact CB-CB 4.1Å; L279-N399 WeakPolarHBondContact CB-OD1 3.42Å; L279-N399 HydrophobicContact CD2-CB 3.9Å; L279-N399 WeakPolarHBondContact CD2-OD1 3.37Å; T395-N399 WeakPolarHBondContact O-CB 3.33Å; T395-N399 PolarHBondContact O-N 3.01Å; V396-N399 PolarHBondContact O-N 3.37Å; I397-N399 VanDerWaalsContact C-N 3.3Å; I397-N399 PolarHBondContact O-N 3.03Å |
| 400 | C | 95.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 58.5 Ų | 58.5 | 71% | 0.709 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 11.2 | -177.9 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | V396 I397 C398 | V396-C400 PolarHBondContact O-N 3.01Å; V396-C400 PolarHBondContact O-SG 3.22Å; I397-C400 CarbonylContact O-C 3.59Å; I397-C400 PolarHBondContact O-N 3.15Å; C398-C400 PolarHBondContact O-N 3.46Å |
| 401 | T | 95.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 57.6 Ų | 57.6 | 24% | 0.239 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -152.8 | 167.6 | -177.2 | -156.6 | 0 | 0 | 0 | 0 | 112.4 | L274 I397 C398 I406 | L274-T401 HydrophobicContact CD1-CG2 4.37Å; I397-T401 HydrophobicContact CG2-CG2 4.47Å; I397-T401 WeakPolarHBondContact O-CG2 3.35Å; I397-T401 PolarHBondContact O-N 2.7Å; C398-T401 PolarHBondContact O-N 2.89Å; C398-T401 VanDerWaalsContact O-O 3.06Å; T401-I406 HydrophobicContact CG2-CD1 4.43Å; T401-I406 HydrophobicContact CG2-CG1 3.7Å |
| 402 | T | 95.5 | Very high | 95.9 | Very high | 91 Ų | 91 | 60.8 Ų | 60.8 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | trans | -100.6 | 170.9 | 172.8 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | D404 G405 I406 | T402-D404 VanDerWaalsContact C-N 3.29Å; T402-D404 PolarHBondContact O-N 2.76Å; T402-G405 PolarHBondContact O-N 2.62Å; T402-G405 VanDerWaalsContact O-N 3.11Å; T402-G405 PolarHBondContact OG1-N 2.85Å; T402-G405 VanDerWaalsContact OG1-N 3.13Å; T402-I406 PolarHBondContact O-N 2.86Å | ||
| 403 | Y | 95.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -44.8 | 178.1 | -173.3 | -93.7 | 0 | 0 | 0 | 112 | H272 L274 I406 K420 H423 | H272-Y403 HydrophobicContact CB-CD1 3.64Å; H272-Y403 HydrophobicContact CB-CD2 3.99Å; H272-Y403 HydrophobicContact CB-CE1 3.4Å; H272-Y403 VanDerWaalsContact CB-CE1 3.4Å; H272-Y403 HydrophobicContact CB-CE2 3.78Å; H272-Y403 HydrophobicContact CB-CG 3.92Å; H272-Y403 VanDerWaalsContact CB-CZ 3.46Å; H272-Y403 AromaticContact CG-CZ 3.9Å; H272-Y403 VanDerWaalsContact O-CB 3.24Å; H272-Y403 WeakPolarHBondContact O-CB 2.88Å; L274-Y403 HydrophobicContact CD2-CD2 4.03Å; L274-Y403 HydrophobicContact CG-CD2 4.43Å; Y403-I406 WeakPolarHBondContact O-CB 3.24Å; Y403-K420 HydrophobicContact CD1-CD 4.49Å; Y403-K420 HydrophobicContact CD2-CB 4.36Å; Y403-K420 HydrophobicContact CD2-CD 4.32Å; Y403-K420 HydrophobicContact CD2-CG 3.89Å; Y403-K420 HydrophobicContact CE1-CD 3.97Å; Y403-K420 HydrophobicContact CE2-CB 3.68Å; Y403-K420 HydrophobicContact CE2-CD 3.77Å; Y403-K420 HydrophobicContact CE2-CG 3.53Å; Y403-K420 WeakPolarHBondContact O-CE 3.38Å; Y403-H423 HydrophobicContact CD2-CB 3.83Å; Y403-H423 HydrophobicContact CE2-CB 3.73Å; Y403-H423 AromaticContact CE2-CG 3.68Å; Y403-H423 AromaticContact CE2-ND1 3.83Å |
| 404 | D | 94.7 | Very high | 95.8 | Very high | 106 Ų | 106 | 62.9 Ų | 62.9 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -30.4 | 177.3 | -49.2 | -51.3 | 0 | 0 | 0 | 112 | T402 I406 D407 | T402-D404 VanDerWaalsContact C-N 3.29Å; T402-D404 PolarHBondContact O-N 2.76Å; D404-I406 PolarHBondContact O-N 2.96Å; D404-D407 WeakPolarHBondContact O-CB 3.43Å; D404-D407 PolarHBondContact O-N 3.36Å |
| 405 | G | 94.3 | Very high | 95.8 | Very high | 20 Ų | 20 | 66.1 Ų | 66.1 | 21% | 0.206 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.3 | -29.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T402 D407 A408 | T402-G405 PolarHBondContact O-N 2.62Å; T402-G405 VanDerWaalsContact O-N 3.11Å; T402-G405 PolarHBondContact OG1-N 2.85Å; T402-G405 VanDerWaalsContact OG1-N 3.13Å; G405-D407 PolarHBondContact O-N 3.31Å; G405-A408 PolarHBondContact O-N 3.37Å; G405-A408 VanDerWaalsContact O-N 3.16Å |
| 406 | I | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.6 | -32.2 | 172.7 | -67.6 | 165.3 | 0 | 0 | 0 | 112 | L274 T401 T402 Y403 D404 A408 L409 K416 L419 K420 | L274-I406 HydrophobicContact CD1-CD1 3.96Å; L274-I406 HydrophobicContact CD2-CD1 4.02Å; L274-I406 HydrophobicContact CG-CD1 4.49Å; T401-I406 HydrophobicContact CG2-CD1 4.43Å; T401-I406 HydrophobicContact CG2-CG1 3.7Å; T402-I406 PolarHBondContact O-N 2.86Å; Y403-I406 WeakPolarHBondContact O-CB 3.24Å; D404-I406 PolarHBondContact O-N 2.96Å; I406-A408 VanDerWaalsContact C-N 3.3Å; I406-A408 PolarHBondContact O-N 2.92Å; I406-L409 HydrophobicContact CG1-CD1 4.47Å; I406-L409 WeakPolarHBondContact O-CB 3.29Å; I406-L409 PolarHBondContact O-N 3.18Å; I406-K416 HydrophobicContact CG2-CB 3.81Å; I406-K416 HydrophobicContact CG2-CG 4.01Å; I406-K416 VanDerWaalsContact O-CE 3.24Å; I406-K416 WeakPolarHBondContact O-CE 3.47Å; I406-L419 HydrophobicContact CD1-CB 3.76Å; I406-L419 HydrophobicContact CG1-CB 4.25Å; I406-L419 HydrophobicContact CG1-CD1 4.29Å; I406-L419 HydrophobicContact CG2-CB 4.14Å; I406-L419 HydrophobicContact CG2-CD1 4.05Å; I406-K420 HydrophobicContact CB-CG 4.34Å; I406-K420 HydrophobicContact CD1-CG 3.68Å; I406-K420 HydrophobicContact CG2-CD 4.41Å; I406-K420 HydrophobicContact CG2-CG 4.1Å |
| 407 | D | 95.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 70.6 Ų | 70.6 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.9 | -22 | -179.7 | -64.5 | -33.6 | 0 | 0 | 0 | 112.9 | D404 G405 L409 K416 K420 | D404-D407 WeakPolarHBondContact O-CB 3.43Å; D404-D407 PolarHBondContact O-N 3.36Å; G405-D407 PolarHBondContact O-N 3.31Å; D407-L409 VanDerWaalsContact C-N 3.34Å; D407-K416 PolarHBondContact O-NZ 3.39Å; D407-K420 IonicContact OD1-NZ 2.85Å; D407-K420 PolarHBondContact OD1-NZ 3Å; D407-K420 IonicContact OD2-NZ 2.62Å; D407-K420 PolarHBondContact OD2-NZ 2.94Å |
| 408 | A | 95.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 69.6 Ų | 69.6 | 74% | 0.736 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -76.7 | -17.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G405 I406 | G405-A408 PolarHBondContact O-N 3.37Å; G405-A408 VanDerWaalsContact O-N 3.16Å; I406-A408 VanDerWaalsContact C-N 3.3Å; I406-A408 PolarHBondContact O-N 2.92Å |
| 409 | L | 95.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -66.2 | 140.6 | -175 | -63.1 | 177.5 | 0 | 0 | 0 | 112.6 | I397 I406 D407 I411 K416 L419 | I397-L409 HydrophobicContact CG2-CD1 4.04Å; I406-L409 HydrophobicContact CG1-CD1 4.47Å; I406-L409 WeakPolarHBondContact O-CB 3.29Å; I406-L409 PolarHBondContact O-N 3.18Å; D407-L409 VanDerWaalsContact C-N 3.34Å; L409-I411 HydrophobicContact CB-CD1 3.98Å; L409-I411 HydrophobicContact CB-CG1 3.88Å; L409-I411 HydrophobicContact CD1-CD1 4Å; L409-I411 PolarHBondContact O-N 3.33Å; L409-K416 WeakPolarHBondContact O-CE 3.41Å; L409-K416 PolarHBondContact O-NZ 3.09Å; L409-L419 HydrophobicContact CD1-CD1 3.74Å |
| 410 | P | 96.3 | Very high | 95.8 | Very high | 135 Ų | 135 | 66.7 Ų | 66.7 | 88% | 0.877 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80.7 | 53 | -179 | 34.8 | -37.5 | 0 | 0 | 0 | 112.4 | ||
| 411 | I | 95.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 66.7 Ų | 66.7 | 30% | 0.303 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -128.2 | 155.8 | -175.6 | 63.7 | 179.7 | 0 | 0 | 0 | 111.7 | L409 M415 K416 L419 | L409-I411 HydrophobicContact CB-CD1 3.98Å; L409-I411 HydrophobicContact CB-CG1 3.88Å; L409-I411 HydrophobicContact CD1-CD1 4Å; L409-I411 PolarHBondContact O-N 3.33Å; I411-M415 HydrophobicContact CB-CB 4.38Å; I411-M415 HydrophobicContact CD1-CB 4.02Å; I411-M415 HydrophobicContact CG1-CB 4.34Å; I411-K416 HydrophobicContact CD1-CG 4.05Å; I411-K416 HydrophobicContact CG1-CD 4.5Å; I411-K416 HydrophobicContact CG1-CG 3.74Å; I411-K416 WeakPolarHBondContact O-CE 3.49Å; I411-L419 HydrophobicContact CD1-CD1 3.62Å |
| 412 | P | 97.4 | Very high | 95.8 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | trans | -59.6 | 148.2 | 177.9 | -24 | 34.7 | 0 | 0 | 0 | 113.1 | S414 M415 K416 | P412-S414 PolarHBondContact O-N 2.87Å; P412-S414 VanDerWaalsContact O-N 3.11Å; P412-M415 WeakPolarHBondContact O-CA 3.35Å; P412-M415 WeakPolarHBondContact O-CB 3.45Å; P412-M415 PolarHBondContact O-N 2.75Å; P412-K416 PolarHBondContact O-N 3.16Å; P412-K416 VanDerWaalsContact O-N 3.13Å | ||
| 413 | S | 95.3 | Very high | 95.7 | Very high | 98 Ų | 98 | 63 Ų | 63 | 69% | 0.685 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.2 | -27.4 | -176.9 | -41.9 | 0 | 0 | 0 | 0 | 114.2 | M415 K416 L417 | S413-M415 VanDerWaalsContact C-N 3.33Å; S413-K416 PolarHBondContact O-N 3.18Å; S413-L417 PolarHBondContact O-N 2.86Å |
| 414 | S | 96.6 | Very high | 95.6 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.7 | -33.3 | 172 | 49.8 | 0 | 0 | 0 | 0 | 113 | P412 Y418 | P412-S414 PolarHBondContact O-N 2.87Å; P412-S414 VanDerWaalsContact O-N 3.11Å; S414-Y418 WeakPolarHBondContact O-CB 3.29Å; S414-Y418 PolarHBondContact O-N 2.95Å |
| 415 | M | 95.9 | Very high | 95.4 | Very high | 70 Ų | 70 | 62 Ų | 62 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77.3 | -32.9 | 173.4 | -62.3 | -67.7 | 92.4 | 0 | 0 | 111.5 | I411 P412 S413 Y418 L419 | I411-M415 HydrophobicContact CB-CB 4.38Å; I411-M415 HydrophobicContact CD1-CB 4.02Å; I411-M415 HydrophobicContact CG1-CB 4.34Å; P412-M415 WeakPolarHBondContact O-CA 3.35Å; P412-M415 WeakPolarHBondContact O-CB 3.45Å; P412-M415 PolarHBondContact O-N 2.75Å; S413-M415 VanDerWaalsContact C-N 3.33Å; M415-Y418 PolarHBondContact O-N 3.4Å; M415-L419 WeakPolarHBondContact O-CG 3.32Å; M415-L419 PolarHBondContact O-N 2.85Å |
| 416 | K | 96.6 | Very high | 95.1 | Very high | 39 Ų | 39 | 61.4 Ų | 61.4 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 171 | -63.2 | -173.7 | 170.8 | 178.8 | 0 | 111.6 | I406 D407 L409 I411 P412 S413 L419 K420 | I406-K416 HydrophobicContact CG2-CB 3.81Å; I406-K416 HydrophobicContact CG2-CG 4.01Å; I406-K416 VanDerWaalsContact O-CE 3.24Å; I406-K416 WeakPolarHBondContact O-CE 3.47Å; D407-K416 PolarHBondContact O-NZ 3.39Å; L409-K416 WeakPolarHBondContact O-CE 3.41Å; L409-K416 PolarHBondContact O-NZ 3.09Å; I411-K416 HydrophobicContact CD1-CG 4.05Å; I411-K416 HydrophobicContact CG1-CD 4.5Å; I411-K416 HydrophobicContact CG1-CG 3.74Å; I411-K416 WeakPolarHBondContact O-CE 3.49Å; P412-K416 PolarHBondContact O-N 3.16Å; P412-K416 VanDerWaalsContact O-N 3.13Å; S413-K416 PolarHBondContact O-N 3.18Å; K416-L419 PolarHBondContact O-N 3.09Å; K416-K420 WeakPolarHBondContact O-CB 3.4Å; K416-K420 WeakPolarHBondContact O-CG 3.31Å; K416-K420 PolarHBondContact O-N 2.9Å |
| 417 | L | 96.3 | Very high | 94.4 | Very high | 131 Ų | 131 | 67.5 Ų | 67.5 | 69% | 0.686 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.5 | -42.6 | 174 | -173.1 | 148.7 | 0 | 0 | 0 | 111.7 | S413 K420 E421 | S413-L417 PolarHBondContact O-N 2.86Å; L417-K420 PolarHBondContact O-N 3.42Å; L417-E421 PolarHBondContact O-N 2.78Å |
| 418 | Y | 96.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 174.9 | 178.6 | -110.1 | 0 | 0 | 0 | 112.6 | Q390 H391 R394 S414 M415 K420 | Q390-Y418 HydrophobicContact CG-CD1 4.28Å; Q390-Y418 HydrophobicContact CG-CE1 3.62Å; Q390-Y418 VanDerWaalsContact NE2-CE1 3.31Å; H391-Y418 WeakPolarHBondContact CA-OH 3.5Å; R394-Y418 HydrophobicContact CB-CE1 3.88Å; R394-Y418 VanDerWaalsContact CD-CE1 3.44Å; R394-Y418 HydrophobicContact CG-CE1 4.3Å; R394-Y418 PolarHBondContact NE-O 2.99Å; R394-Y418 PolarHBondContact NH1-O 3.31Å; R394-Y418 PolarHBondContact NH2-O 2.9Å; S414-Y418 WeakPolarHBondContact O-CB 3.29Å; S414-Y418 PolarHBondContact O-N 2.95Å; M415-Y418 PolarHBondContact O-N 3.4Å; Y418-K420 PolarHBondContact O-N 3.17Å |
| 419 | L | 96.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 175.7 | -67.4 | 176.3 | 0 | 0 | 0 | 111 | R394 I397 I406 L409 I411 M415 K416 E421 | R394-L419 HydrophobicContact CB-CD2 3.76Å; R394-L419 HydrophobicContact CG-CD2 3.69Å; R394-L419 PolarHBondContact NE-O 3.38Å; R394-L419 PolarHBondContact NH2-O 3.5Å; R394-L419 VanDerWaalsContact NH2-O 3.08Å; I397-L419 HydrophobicContact CB-CD2 4.22Å; I397-L419 HydrophobicContact CD1-CD2 4.37Å; I397-L419 HydrophobicContact CG2-CD1 3.78Å; I397-L419 HydrophobicContact CG2-CD2 4.07Å; I406-L419 HydrophobicContact CD1-CB 3.76Å; I406-L419 HydrophobicContact CG1-CB 4.25Å; I406-L419 HydrophobicContact CG1-CD1 4.29Å; I406-L419 HydrophobicContact CG2-CB 4.14Å; I406-L419 HydrophobicContact CG2-CD1 4.05Å; L409-L419 HydrophobicContact CD1-CD1 3.74Å; I411-L419 HydrophobicContact CD1-CD1 3.62Å; M415-L419 WeakPolarHBondContact O-CG 3.32Å; M415-L419 PolarHBondContact O-N 2.85Å; K416-L419 PolarHBondContact O-N 3.09Å; L419-E421 VanDerWaalsContact C-N 3.26Å; L419-E421 PolarHBondContact O-N 3.32Å; L419-E421 VanDerWaalsContact O-N 3.14Å |
| 420 | K | 95.8 | Very high | 89.9 | Confident | 27 Ų | 27 | 73 Ų | 73 | 12% | 0.117 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -7.7 | -175.3 | -78.9 | -178.2 | 161.1 | 179.6 | 0 | 116.6 | Y403 I406 D407 K416 L417 Y418 Y422 H423 | Y403-K420 HydrophobicContact CD1-CD 4.49Å; Y403-K420 HydrophobicContact CD2-CB 4.36Å; Y403-K420 HydrophobicContact CD2-CD 4.32Å; Y403-K420 HydrophobicContact CD2-CG 3.89Å; Y403-K420 HydrophobicContact CE1-CD 3.97Å; Y403-K420 HydrophobicContact CE2-CB 3.68Å; Y403-K420 HydrophobicContact CE2-CD 3.77Å; Y403-K420 HydrophobicContact CE2-CG 3.53Å; Y403-K420 WeakPolarHBondContact O-CE 3.38Å; I406-K420 HydrophobicContact CB-CG 4.34Å; I406-K420 HydrophobicContact CD1-CG 3.68Å; I406-K420 HydrophobicContact CG2-CD 4.41Å; I406-K420 HydrophobicContact CG2-CG 4.1Å; D407-K420 IonicContact OD1-NZ 2.85Å; D407-K420 PolarHBondContact OD1-NZ 3Å; D407-K420 IonicContact OD2-NZ 2.62Å; D407-K420 PolarHBondContact OD2-NZ 2.94Å; K416-K420 WeakPolarHBondContact O-CB 3.4Å; K416-K420 WeakPolarHBondContact O-CG 3.31Å; K416-K420 PolarHBondContact O-N 2.9Å; L417-K420 PolarHBondContact O-N 3.42Å; Y418-K420 PolarHBondContact O-N 3.17Å; K420-Y422 PolarHBondContact O-N 3Å; K420-H423 PolarHBondContact O-ND1 3.39Å |
| 421 | E | 94.6 | Very high | 87.9 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -31.6 | -173.9 | 144.6 | -171.3 | -105.1 | 0 | 0 | 114.9 | R394 L417 L419 H423 | R394-E421 IonicContact CZ-OE2 3.48Å; R394-E421 IonicContact NH1-OE2 3.85Å; R394-E421 PolarHBondContact NH1-OE2 2.8Å; R394-E421 IonicContact NH2-OE2 2.67Å; R394-E421 PolarHBondContact NH2-OE2 3.35Å; L417-E421 PolarHBondContact O-N 2.78Å; L419-E421 VanDerWaalsContact C-N 3.26Å; L419-E421 PolarHBondContact O-N 3.32Å; L419-E421 VanDerWaalsContact O-N 3.14Å; E421-H423 PolarHBondContact O-N 2.99Å |
| 422 | Y | 95 | Very high | 85.9 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 4% | 0.043 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -91.4 | 76 | 174.2 | -67.4 | -64.4 | 0 | 0 | 0 | 110.5 | V275 L278 Y287 D312 L319 F320 H391 R394 K420 | V275-Y422 PolarHBondContact N-O 3.4Å; L278-Y422 HydrophobicContact CD1-CD1 4.41Å; L278-Y422 HydrophobicContact CD1-CD2 3.82Å; L278-Y422 HydrophobicContact CD1-CE2 4.43Å; L278-Y422 HydrophobicContact CD1-CG 3.85Å; L278-Y422 HydrophobicContact CD2-CD2 3.93Å; L278-Y422 HydrophobicContact CD2-CG 4.24Å; Y287-Y422 PolarHBondContact OH-OH 3.49Å; D312-Y422 PolarHBondContact OD2-OH 3.43Å; L319-Y422 HydrophobicContact CD2-CD1 4.46Å; F320-Y422 HydrophobicContact CE1-CD1 4.26Å; F320-Y422 HydrophobicContact CE1-CE1 4.06Å; F320-Y422 AromaticContact CZ-CD1 3.98Å; F320-Y422 HydrophobicContact CZ-CD1 3.98Å; F320-Y422 HydrophobicContact CZ-CE1 4.24Å; H391-Y422 AromaticContact CE1-CE2 2.94Å; H391-Y422 WeakPolarHBondContact CE1-CE2 3.49Å; H391-Y422 AromaticContact CE1-CZ 3.07Å; H391-Y422 PolarHBondContact CE1-OH 2.91Å; R394-Y422 VanDerWaalsContact NH1-CE2 3.32Å; K420-Y422 PolarHBondContact O-N 3Å |
| 423 | H | 94.6 | Very high | 84 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 149.7 | 175 | 75.6 | -90.3 | 0 | 0 | 0 | 111.9 | H272 C273 Y403 K420 E421 | H272-H423 AromaticContact CE1-NE2 3.63Å; H272-H423 AromaticContact CG-CD2 3.88Å; H272-H423 AromaticContact ND1-CD2 3.11Å; H272-H423 PolarHBondContact ND1-CD2 3.43Å; H272-H423 AromaticContact ND1-CE1 3.86Å; H272-H423 AromaticContact ND1-NE2 2.92Å; H272-H423 PolarHBondContact ND1-NE2 3.35Å; C273-H423 CarbonylContact O-C 3.54Å; C273-H423 WeakPolarHBondContact O-CA 2.95Å; C273-H423 VanDerWaalsContact O-CB 3.28Å; C273-H423 WeakPolarHBondContact O-CB 3.41Å; Y403-H423 HydrophobicContact CD2-CB 3.83Å; Y403-H423 HydrophobicContact CE2-CB 3.73Å; Y403-H423 AromaticContact CE2-CG 3.68Å; Y403-H423 AromaticContact CE2-ND1 3.83Å; K420-H423 PolarHBondContact O-ND1 3.39Å; E421-H423 PolarHBondContact O-N 2.99Å |
| 424 | Y | 92.9 | Very high | 82 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 165.6 | 169 | 62 | -98.1 | 0 | 0 | 0 | 111.1 | H272 C273 L274 Q337 H340 F342 | H272-Y424 WeakPolarHBondContact CA-O 3.4Å; C273-Y424 HydrophobicContact CB-CD1 4.31Å; C273-Y424 HydrophobicContact CB-CD2 3.96Å; C273-Y424 HydrophobicContact CB-CE1 3.84Å; C273-Y424 HydrophobicContact CB-CE2 3.48Å; C273-Y424 VanDerWaalsContact CB-CE2 3.48Å; C273-Y424 HydrophobicContact CB-CG 4.39Å; C273-Y424 VanDerWaalsContact CB-CZ 3.42Å; C273-Y424 PolarHBondContact N-O 3.44Å; C273-Y424 WeakPolarHBondContact O-CD1 3.36Å; C273-Y424 PolarHBondContact O-N 3.21Å; L274-Y424 WeakPolarHBondContact O-CE1 3.49Å; Q337-Y424 HydrophobicContact CG-CD1 4.32Å; Q337-Y424 HydrophobicContact CG-CD2 3.71Å; Q337-Y424 HydrophobicContact CG-CE2 4.2Å; Q337-Y424 HydrophobicContact CG-CG 3.75Å; H340-Y424 AromaticContact ND1-CE2 3.54Å; H340-Y424 AromaticContact ND1-CZ 3.68Å; H340-Y424 PolarHBondContact ND1-OH 3.16Å; F342-Y424 HydrophobicContact CE1-CD1 4.21Å; F342-Y424 AromaticContact CZ-CD1 3.88Å; F342-Y424 HydrophobicContact CZ-CD1 3.88Å; F342-Y424 AromaticContact CZ-CE1 3.84Å; F342-Y424 HydrophobicContact CZ-CE1 3.84Å |
| 425 | K | 90.6 | Very high | 79.7 | Confident | 99 Ų | 99 | 76.9 Ų | 76.9 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 91.2 | -173.7 | -59 | 170.8 | -169.2 | 157.2 | 0 | 110.2 | Y270 V271 | Y270-K425 HydrophobicContact CD1-CB 3.88Å; V271-K425 CarbonylContact O-C 3.56Å |
| 426 | S | 86.6 | Confident | 77.5 | Confident | 8 Ų | 8 | 79 Ų | 79 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 135.4 | 176.7 | -164.4 | 0 | 0 | 0 | 0 | 110.8 | Y270 V271 H340 | Y270-S426 CarbonylContact C-O 3.57Å; Y270-S426 VanDerWaalsContact CA-O 3.31Å; Y270-S426 WeakPolarHBondContact CA-O 3.29Å; V271-S426 PolarHBondContact N-O 2.93Å; V271-S426 PolarHBondContact O-N 3.29Å; H340-S426 PolarHBondContact CE1-OG 3.2Å; H340-S426 PolarHBondContact NE2-OG 3.18Å |
| 427 | K | 82.9 | Confident | 75.1 | Confident | 128 Ų | 128 | 85 Ų | 85 | 56% | 0.557 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 115.4 | 178.6 | -69.6 | 171.4 | -177.5 | 172.4 | 0 | 109.3 | I268 Y270 | I268-K427 HydrophobicContact CG2-CG 4.3Å; Y270-K427 HydrophobicContact CD1-CG 3.77Å; Y270-K427 HydrophobicContact CE1-CD 4.1Å; Y270-K427 HydrophobicContact CE1-CG 3.38Å; Y270-K427 WeakPolarHBondContact OH-CE 3.47Å |
| 428 | V | 70.8 | Confident | 72.7 | Confident | 65 Ų | 65 | 87.5 Ų | 87.5 | 39% | 0.394 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -25.1 | -166.7 | 175.8 | 0 | 0 | 0 | 0 | 114.3 | D269 V271 | D269-V428 PolarHBondContact O-N 2.87Å; V271-V428 HydrophobicContact CB-CG2 3.7Å; V271-V428 HydrophobicContact CG2-CB 4.23Å; V271-V428 HydrophobicContact CG2-CG2 3.45Å; V271-V428 VanDerWaalsContact CG2-CG2 3.45Å |
| 429 | R | 62.5 | Low | 70.2 | Confident | 191 Ų | 191 | 93.6 Ų | 93.6 | 72% | 0.721 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 165.7 | 157.8 | -114.2 | 153.3 | -74.7 | -170.7 | -1.9 | 111.2 | D269 | D269-R429 PolarHBondContact N-O 2.94Å |
| 430 | V | 59.1 | Low | 67.3 | Low | 81 Ų | 81 | 102.4 Ų | 102.4 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 111.6 | 163.7 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | T266 Q267 I268 R432 | T266-V430 HydrophobicContact CG2-CG1 3.98Å; Q267-V430 CarbonylContact O-C 3.57Å; Q267-V430 WeakPolarHBondContact O-CA 3.5Å; I268-V430 HydrophobicContact CG1-CG1 4.35Å; I268-V430 HydrophobicContact CG1-CG2 4.17Å; V430-R432 PolarHBondContact O-N 3.27Å |
| 431 | L | 53.8 | Low | 65.9 | Low | 94 Ų | 94 | 106.2 Ų | 106.2 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.5 | 170.9 | -73.5 | 171.7 | 0 | 0 | 0 | 108.2 | T266 Q267 I433 | T266-L431 WeakPolarHBondContact CA-O 3.46Å; Q267-L431 PolarHBondContact N-O 2.89Å; Q267-L431 PolarHBondContact O-N 3.49Å; L431-I433 PolarHBondContact O-N 3.23Å |
| 432 | R | 53.9 | Low | 64.4 | Low | 174 Ų | 174 | 106.3 Ų | 106.3 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 113 | 158.8 | -78.5 | -177.2 | 171.7 | -179.5 | -3.7 | 107 | T266 V430 | T266-R432 HydrophobicContact CG2-CG 4.16Å; V430-R432 PolarHBondContact O-N 3.27Å |
| 433 | I | 56.8 | Low | 62.7 | Low | 81 Ų | 81 | 111.6 Ų | 111.6 | 42% | 0.415 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.2 | 104.8 | 167 | -55.1 | -179 | 0 | 0 | 0 | 106.3 | H265 L431 | H265-I433 HydrophobicContact CB-CB 4.37Å; H265-I433 PolarHBondContact N-O 3.49Å; H265-I433 PolarHBondContact O-N 2.91Å; L431-I433 PolarHBondContact O-N 3.23Å |
| 434 | D | 54.1 | Low | 60.8 | Low | 114 Ų | 114 | 115.7 Ų | 115.7 | 61% | 0.61 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.3 | 164 | -61.6 | -46.1 | 0 | 0 | 0 | 107.9 | ||
| 435 | A | 48.5 | Very low | 58.8 | Low | 73 Ų | 73 | 121.3 Ų | 121.3 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 134.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | E437 | A435-E437 PolarHBondContact O-N 3.13Š|
| 436 | P | 48.7 | Very low | 56.7 | Low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.8 | 173.7 | 27 | -33.5 | 0 | 0 | 0 | 109.3 | Q438 | P436-Q438 PolarHBondContact O-N 3.11Å; P436-Q438 VanDerWaalsContact O-N 3.17Å |
| 437 | E | 46.9 | Very low | 54.6 | Low | 167 Ų | 167 | 130.9 Ų | 130.9 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 120.2 | 174.7 | -66.5 | 179.1 | 163.3 | 0 | 0 | 109.7 | A435 Q439 | A435-E437 PolarHBondContact O-N 3.13Å; E437-Q439 VanDerWaalsContact C-N 3.3Å; E437-Q439 PolarHBondContact O-N 3.42Å |
| 438 | Q | 44.7 | Very low | 52.4 | Low | 182 Ų | 182 | 131.2 Ų | 131.2 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | trans | -75.6 | 90.3 | 169.3 | -71.2 | -173.2 | -28.1 | 0 | 0 | 108 | P436 C440 | P436-Q438 PolarHBondContact O-N 3.11Å; P436-Q438 VanDerWaalsContact O-N 3.17Å; Q438-C440 PolarHBondContact O-N 3.34Å | ||
| 439 | Q | 44 | Very low | 50.8 | Low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -63.6 | 113.6 | 168.7 | -67.2 | -179.5 | -9.3 | 0 | 0 | 108.7 | E437 | E437-Q439 VanDerWaalsContact C-N 3.3Å; E437-Q439 PolarHBondContact O-N 3.42Å | ||
| 440 | C | 37.2 | Very low | 49.8 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 100% | 1.304 | 71% | 0.706 | S | S | * | * | trans | -105.1 | 0 | 176.3 | -70.6 | 0 | 0 | 0 | 0 | 110.2 | Q438 | Q438-C440 PolarHBondContact O-N 3.34Š|
Retrieved 440 of 440 residues in 64.4 ms
(Link to these results)