| 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 | 38.4 | Very low | 36.9 | Very low | 240 Ų | 240 | 157.6 Ų | 157.6 | 100% | 1.182 | 86% | 0.861 | S | S | * | * | 0 | 90.8 | 0 | -69 | 144.8 | 157.5 | 0 | 0 | 106.7 | |||||
| 2 | A | 37.8 | Very low | 36.9 | Very low | 92 Ų | 92 | 165.6 Ų | 165.6 | 76% | 0.76 | 87% | 0.869 | S | S | * | * | 68.8 | 76.7 | 80.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 3 | S | 34.6 | Very low | 37 | Very low | 119 Ų | 119 | 164.7 Ų | 164.7 | 83% | 0.832 | 86% | 0.864 | S | S | * | * | 71.3 | 106 | 64.3 | 82.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 4 | A | 38.5 | Very low | 36.8 | Very low | 100 Ų | 100 | 165.3 Ų | 165.3 | 83% | 0.826 | 87% | 0.867 | S | S | * | * | trans | -112.4 | 146.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | P | 46.1 | Very low | 36.9 | Very low | 126 Ų | 126 | 161.7 Ų | 161.7 | 82% | 0.818 | 87% | 0.871 | S | S | * | * | trans | -98 | 163.5 | -162.3 | 0.8 | 21.2 | 0 | 0 | 0 | 114.5 | ||||
| 6 | R | 38.5 | Very low | 37.1 | Very low | 239 Ų | 239 | 155.7 Ų | 155.7 | 90% | 0.902 | 86% | 0.858 | S | S | * | * | trans | -77.3 | 142.7 | 168.3 | -60.2 | 177.1 | -177.2 | 172.5 | -0.2 | 110.6 | E8 | R6-E8 PolarHBondContact O-N 3.23Š| ||
| 7 | P | 39.3 | Very low | 37.5 | Very low | 133 Ų | 133 | 154.5 Ų | 154.5 | 86% | 0.864 | 86% | 0.861 | S | S | * | * | trans | -83.5 | 92 | 173.8 | 33.1 | -33.1 | 0 | 0 | 0 | 111.5 | ||||
| 8 | E | 31.9 | Very low | 37.5 | Very low | 163 Ų | 163 | 154.6 Ų | 154.6 | 76% | 0.762 | 86% | 0.859 | S | S | * | * | trans | -116.3 | 142.9 | 160.1 | -101.1 | -162.4 | -147.8 | 0 | 0 | 110.4 | R6 | R6-E8 PolarHBondContact O-N 3.23Š| ||
| 9 | R | 34.7 | Very low | 38 | Very low | 226 Ų | 226 | 151.9 Ų | 151.9 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | trans | 63.3 | 75.2 | 169 | -54 | 176.2 | -178.2 | -164.9 | -0.8 | 118.5 | ||||
| 10 | V | 34.4 | Very low | 38.9 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 87% | 0.873 | 85% | 0.847 | S | S | * | * | -143.3 | 96 | 128.4 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 11 | L | 31.7 | Very low | 38.8 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 80% | 0.796 | 85% | 0.846 | S | S | * | * | trans | -172.5 | 35.1 | 144.6 | -108.5 | 169.2 | 0 | 0 | 0 | 114.2 | L13 | L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact O-N 3.08Å | ||
| 12 | R | 36.8 | Very low | 39.5 | Very low | 253 Ų | 253 | 147 Ų | 147 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | trans | -75.5 | 85.1 | 157.5 | -89.9 | -168.9 | 172.7 | -169.7 | -1.4 | 108.5 | ||||
| 13 | L | 38.3 | Very low | 40.1 | Very low | 154 Ų | 154 | 148 Ų | 148 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | trans | -165.6 | 33.2 | 161.2 | -113 | 167.1 | 0 | 0 | 0 | 115.8 | L11 | L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact O-N 3.08Å | ||
| 14 | L | 34.9 | Very low | 40.6 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -132.8 | 64.7 | 161.4 | -74.4 | -179.8 | 0 | 0 | 0 | 110.1 | ||||
| 15 | A | 37.6 | Very low | 40.8 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | -111.3 | 79.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | G | 40 | Very low | 40.3 | Very low | 65 Ų | 65 | 147.9 Ų | 147.9 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | -166.3 | 136.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 17 | C | 43.7 | Very low | 40.3 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | 58.7 | 63.3 | 174.9 | -57.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 18 | L | 38.2 | Very low | 40.1 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | -119.3 | 139.5 | 143.9 | -75.9 | 174.3 | 0 | 0 | 0 | 108.5 | ||||
| 19 | P | 46.6 | Very low | 40.2 | Very low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 158.2 | 175.8 | 30 | -35.1 | 0 | 0 | 0 | 110.7 | Y21 | P19-Y21 PolarHBondContact O-N 2.97Š|
| 20 | P | 55.2 | Low | 40.1 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 130.9 | 172.2 | 26.4 | -33.8 | 0 | 0 | 0 | 109.8 | ||
| 21 | Y | 38.3 | Very low | 39.9 | Very low | 211 Ų | 211 | 134.8 Ų | 134.8 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.9 | 167.4 | -93.7 | -104.6 | 0 | 0 | 0 | 109.2 | P19 | P19-Y21 PolarHBondContact O-N 2.97Š|
| 22 | P | 51.8 | Low | 40.3 | Very low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.6 | 168.6 | 28 | -34.3 | 0 | 0 | 0 | 109.4 | ||
| 23 | P | 51.1 | Low | 40.3 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 150.2 | 174 | 26.8 | -34.6 | 0 | 0 | 0 | 110.1 | ||
| 24 | P | 45.2 | Very low | 40.4 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 146.7 | 173 | 26.6 | -34.5 | 0 | 0 | 0 | 109.8 | ||
| 25 | P | 42.3 | Very low | 40.6 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 141.9 | 175.5 | 26.2 | -34.5 | 0 | 0 | 0 | 109.3 | T27 | P25-T27 PolarHBondContact O-N 2.75Š|
| 26 | P | 36.8 | Very low | 40.8 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131.9 | -178.8 | 24.8 | -33.8 | 0 | 0 | 0 | 109.7 | V28 | P26-V28 PolarHBondContact O-N 2.8Å; P26-V28 VanDerWaalsContact O-N 3.11Å |
| 27 | T | 37.1 | Very low | 40.9 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 87% | 0.871 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 119.8 | 171.7 | -54 | 0 | 0 | 0 | 0 | 108.7 | P25 G29 | P25-T27 PolarHBondContact O-N 2.75Å; T27-G29 PolarHBondContact O-N 3.03Å |
| 28 | V | 36.6 | Very low | 40.8 | Very low | 138 Ų | 138 | 120.6 Ų | 120.6 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | trans | -73.4 | 83 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | P26 | P26-V28 PolarHBondContact O-N 2.8Å; P26-V28 VanDerWaalsContact O-N 3.11Å | ||
| 29 | G | 32.6 | Very low | 40.8 | Very low | 48 Ų | 48 | 121.5 Ų | 121.5 | 50% | 0.495 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 160.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T27 L31 | T27-G29 PolarHBondContact O-N 3.03Å; G29-L31 PolarHBondContact O-N 3.27Å |
| 30 | L | 32.8 | Very low | 40.4 | Very low | 181 Ų | 181 | 121.9 Ų | 121.9 | 95% | 0.948 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 127.6 | 174.1 | -76 | 77.3 | 0 | 0 | 0 | 108.9 | ||
| 31 | L | 31.2 | Very low | 39.7 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143.1 | 172 | -62.2 | 169 | 0 | 0 | 0 | 109.1 | G29 | G29-L31 PolarHBondContact O-N 3.27Š|
| 32 | S | 40.4 | Very low | 39.8 | Very low | 51 Ų | 51 | 117.8 Ų | 117.8 | 36% | 0.357 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 149.2 | 173.4 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | E34 Q35 | S32-E34 WeakPolarHBondContact CB-OE2 3.47Å; S32-E34 PolarHBondContact O-N 2.96Å; S32-E34 PolarHBondContact OG-OE2 2.87Å; S32-Q35 WeakPolarHBondContact O-CB 3.42Å; S32-Q35 PolarHBondContact O-N 2.99Å |
| 33 | M | 35.9 | Very low | 39.3 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -51.2 | -40.7 | 174.5 | -69.8 | -68.7 | -64 | 0 | 0 | 111.5 | Q35 Q36 E37 | M33-Q35 PolarHBondContact O-N 3.32Å; M33-Q36 WeakPolarHBondContact O-CA 3.44Å; M33-Q36 WeakPolarHBondContact O-CB 3.42Å; M33-Q36 PolarHBondContact O-N 3.03Å; M33-E37 PolarHBondContact O-N 3.17Å; M33-E37 VanDerWaalsContact O-N 3.16Å |
| 34 | E | 40.5 | Very low | 38.6 | Very low | 132 Ų | 132 | 120.2 Ų | 120.2 | 62% | 0.617 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54.8 | -36.7 | 178.9 | -58.7 | 154.4 | 130.7 | 0 | 0 | 112.2 | S32 Q36 E37 T38 | S32-E34 WeakPolarHBondContact CB-OE2 3.47Å; S32-E34 PolarHBondContact O-N 2.96Å; S32-E34 PolarHBondContact OG-OE2 2.87Å; E34-Q36 VanDerWaalsContact C-N 3.33Å; E34-Q36 PolarHBondContact O-N 3.01Å; E34-E37 PolarHBondContact O-N 3.24Å; E34-T38 PolarHBondContact O-N 3.2Å; E34-T38 VanDerWaalsContact O-N 3.1Å; E34-T38 PolarHBondContact O-OG1 3.49Å |
| 35 | Q | 39.1 | Very low | 38.3 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 53% | 0.533 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -76.6 | -20 | 179.9 | -65.4 | -177.6 | -37.4 | 0 | 0 | 112.9 | S32 M33 | S32-Q35 WeakPolarHBondContact O-CB 3.42Å; S32-Q35 PolarHBondContact O-N 2.99Å; M33-Q35 PolarHBondContact O-N 3.32Å |
| 36 | Q | 41.4 | Very low | 38 | Very low | 115 Ų | 115 | 122 Ų | 122 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -79.1 | -35.8 | 170.6 | -59.1 | -167.7 | -53.9 | 0 | 0 | 111 | M33 E34 Y39 L40 | M33-Q36 WeakPolarHBondContact O-CA 3.44Å; M33-Q36 WeakPolarHBondContact O-CB 3.42Å; M33-Q36 PolarHBondContact O-N 3.03Å; E34-Q36 VanDerWaalsContact C-N 3.33Å; E34-Q36 PolarHBondContact O-N 3.01Å; Q36-Y39 PolarHBondContact O-N 3Å; Q36-L40 PolarHBondContact O-N 3.34Å; Q36-L40 VanDerWaalsContact O-N 3.08Å |
| 37 | E | 41.6 | Very low | 38 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.6 | -46.8 | 175 | -67.1 | 177.7 | 145.5 | 0 | 0 | 111.3 | M33 E34 Y39 L40 E41 | M33-E37 PolarHBondContact O-N 3.17Å; M33-E37 VanDerWaalsContact O-N 3.16Å; E34-E37 PolarHBondContact O-N 3.24Å; E37-Y39 VanDerWaalsContact C-N 3.25Å; E37-Y39 PolarHBondContact O-N 2.96Å; E37-L40 WeakPolarHBondContact O-CA 3.49Å; E37-L40 WeakPolarHBondContact O-CB 3.47Å; E37-L40 PolarHBondContact O-N 3.23Å; E37-E41 PolarHBondContact O-N 2.82Å |
| 38 | T | 41.5 | Very low | 38.1 | Very low | 78 Ų | 78 | 116.5 Ų | 116.5 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -59.4 | -35.7 | 175.9 | -39 | 0 | 0 | 0 | 0 | 112.6 | E34 L40 L42 | E34-T38 PolarHBondContact O-N 3.2Å; E34-T38 VanDerWaalsContact O-N 3.1Å; E34-T38 PolarHBondContact O-OG1 3.49Å; T38-L40 VanDerWaalsContact C-N 3.32Å; T38-L42 HydrophobicContact CG2-CD1 4.48Å; T38-L42 WeakPolarHBondContact O-CB 3.44Å; T38-L42 WeakPolarHBondContact O-CG 3.39Å; T38-L42 PolarHBondContact O-N 2.83Å; T38-L42 VanDerWaalsContact O-N 3.14Å |
| 39 | Y | 39.9 | Very low | 38.1 | Very low | 176 Ų | 176 | 114 Ų | 114 | 69% | 0.69 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.9 | -28.3 | 177 | -162.2 | -91.6 | 0 | 0 | 0 | 112.2 | Q36 E37 Y43 | Q36-Y39 PolarHBondContact O-N 3Å; E37-Y39 VanDerWaalsContact C-N 3.25Å; E37-Y39 PolarHBondContact O-N 2.96Å; Y39-Y43 WeakPolarHBondContact O-CB 3.3Å; Y39-Y43 PolarHBondContact O-N 3.17Å |
| 40 | L | 36.6 | Very low | 38.5 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.4 | -40 | 175.9 | -136.2 | 74.9 | 0 | 0 | 0 | 112 | Q36 E37 T38 Y43 L44 | Q36-L40 PolarHBondContact O-N 3.34Å; Q36-L40 VanDerWaalsContact O-N 3.08Å; E37-L40 WeakPolarHBondContact O-CA 3.49Å; E37-L40 WeakPolarHBondContact O-CB 3.47Å; E37-L40 PolarHBondContact O-N 3.23Å; T38-L40 VanDerWaalsContact C-N 3.32Å; L40-Y43 WeakPolarHBondContact O-CB 3.38Å; L40-Y43 PolarHBondContact O-N 3.15Å; L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 3.31Å |
| 41 | E | 42.2 | Very low | 38.6 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.6 | -49.9 | 172 | -73.8 | -165.7 | 130.2 | 0 | 0 | 111.3 | E37 Y43 L44 D45 | E37-E41 PolarHBondContact O-N 2.82Å; E41-Y43 PolarHBondContact O-N 3.19Å; E41-L44 PolarHBondContact O-N 2.86Å; E41-D45 WeakPolarHBondContact O-CB 3.44Å; E41-D45 PolarHBondContact O-N 3.39Å |
| 42 | L | 39.4 | Very low | 39 | Very low | 115 Ų | 115 | 120 Ų | 120 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.5 | -31.2 | 176.3 | -77.8 | 167.3 | 0 | 0 | 0 | 113.1 | T38 Q46 | T38-L42 HydrophobicContact CG2-CD1 4.48Å; T38-L42 WeakPolarHBondContact O-CB 3.44Å; T38-L42 WeakPolarHBondContact O-CG 3.39Å; T38-L42 PolarHBondContact O-N 2.83Å; T38-L42 VanDerWaalsContact O-N 3.14Å; L42-Q46 VanDerWaalsContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CB 3.39Å; L42-Q46 PolarHBondContact O-N 3.21Å |
| 43 | Y | 40.3 | Very low | 38.8 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 60% | 0.6 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.1 | -37.1 | 176.1 | -170.2 | -99.9 | 0 | 0 | 0 | 112.6 | Y39 L40 E41 C47 | Y39-Y43 WeakPolarHBondContact O-CB 3.3Å; Y39-Y43 PolarHBondContact O-N 3.17Å; L40-Y43 WeakPolarHBondContact O-CB 3.38Å; L40-Y43 PolarHBondContact O-N 3.15Å; E41-Y43 PolarHBondContact O-N 3.19Å; Y43-C47 PolarHBondContact O-N 3.3Å |
| 44 | L | 38 | Very low | 38.6 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 60% | 0.597 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.1 | -43.1 | 178 | -70.1 | 168 | 0 | 0 | 0 | 112 | L40 E41 Q46 C47 A48 | L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 3.31Å; E41-L44 PolarHBondContact O-N 2.86Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 2.99Å; L44-C47 WeakPolarHBondContact O-CB 3.36Å; L44-C47 PolarHBondContact O-N 2.89Å; L44-A48 PolarHBondContact O-N 2.98Å; L44-A48 VanDerWaalsContact O-N 3.12Å |
| 45 | D | 38.1 | Very low | 38.5 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 65% | 0.647 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -64.9 | -37.7 | 179.8 | -158.9 | 45.6 | 0 | 0 | 0 | 111.3 | E41 C47 A48 A49 | E41-D45 WeakPolarHBondContact O-CB 3.44Å; E41-D45 PolarHBondContact O-N 3.39Å; D45-C47 VanDerWaalsContact C-N 3.25Å; D45-C47 PolarHBondContact O-N 2.89Å; D45-A48 PolarHBondContact O-N 3.4Å; D45-A48 VanDerWaalsContact O-N 3.17Å; D45-A49 PolarHBondContact O-N 3.02Å |
| 46 | Q | 36.4 | Very low | 38.3 | Very low | 145 Ų | 145 | 124 Ų | 124 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.6 | -19 | 173.4 | -173.6 | 154.3 | 90.3 | 0 | 0 | 113.9 | L42 L44 | L42-Q46 VanDerWaalsContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CB 3.39Å; L42-Q46 PolarHBondContact O-N 3.21Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 2.99Å |
| 47 | C | 37.3 | Very low | 37.7 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 48% | 0.48 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -81.5 | -36.7 | 168.3 | -73.2 | 0 | 0 | 0 | 0 | 112.5 | Y43 L44 D45 A49 Q50 | Y43-C47 PolarHBondContact O-N 3.3Å; L44-C47 WeakPolarHBondContact O-CB 3.36Å; L44-C47 PolarHBondContact O-N 2.89Å; D45-C47 VanDerWaalsContact C-N 3.25Å; D45-C47 PolarHBondContact O-N 2.89Å; C47-A49 VanDerWaalsContact C-N 3.26Å; C47-A49 PolarHBondContact O-N 3.3Å; C47-Q50 PolarHBondContact O-N 3.34Å |
| 48 | A | 37.3 | Very low | 37.5 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 60% | 0.595 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -62.2 | -34.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L44 D45 Q50 | L44-A48 PolarHBondContact O-N 2.98Å; L44-A48 VanDerWaalsContact O-N 3.12Å; D45-A48 PolarHBondContact O-N 3.4Å; D45-A48 VanDerWaalsContact O-N 3.17Å; A48-Q50 PolarHBondContact O-N 3.14Å; A48-Q50 VanDerWaalsContact O-N 3.12Å |
| 49 | A | 38.2 | Very low | 37.3 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 7.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D45 C47 | D45-A49 PolarHBondContact O-N 3.02Å; C47-A49 VanDerWaalsContact C-N 3.26Å; C47-A49 PolarHBondContact O-N 3.3Å |
| 50 | Q | 39.5 | Very low | 37 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -8.3 | -178 | -68.4 | -160.7 | -28.2 | 0 | 0 | 116.1 | C47 A48 | C47-Q50 PolarHBondContact O-N 3.34Å; A48-Q50 PolarHBondContact O-N 3.14Å; A48-Q50 VanDerWaalsContact O-N 3.12Å |
| 51 | D | 34.9 | Very low | 36.6 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -94.1 | -1 | -176.4 | -94.1 | -23.2 | 0 | 0 | 0 | 115 | ||
| 52 | D | 40.3 | Very low | 35.9 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -119.9 | 92.6 | -179.8 | -169.1 | 10.4 | 0 | 0 | 0 | 112.9 | ||||
| 53 | L | 37.1 | Very low | 35.8 | Very low | 172 Ų | 172 | 132 Ų | 132 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | trans | -172.6 | 83.5 | 160 | -111.1 | 172.4 | 0 | 0 | 0 | 113.9 | ||||
| 54 | A | 31 | Very low | 35.3 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -158.6 | 125.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 55 | P | 38.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 158.6 | -175.8 | 35.3 | -36 | 0 | 0 | 0 | 114.4 | ||
| 56 | P | 34.9 | Very low | 35.1 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 148.4 | 179.3 | 30.9 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 57 | R | 29.1 | Very low | 34.7 | Very low | 247 Ų | 247 | 134.9 Ų | 134.9 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 140.8 | 166.6 | -78.5 | -176 | 170.1 | 177 | -2.8 | 111 | ||
| 58 | S | 36.1 | Very low | 34.3 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 151.1 | 174.6 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 59 | P | 37.7 | Very low | 34 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 147.5 | 165.2 | 35.4 | -31 | 0 | 0 | 0 | 111.8 | ||
| 60 | L | 34.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -135.8 | 138.3 | 170.5 | -97.6 | 169.6 | 0 | 0 | 0 | 110.5 | ||||
| 61 | C | 26.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | 58.3 | 118 | 161.6 | -60.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 62 | N | 28 | Very low | 33 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -61.6 | 169.2 | 147.7 | -65.1 | -26.3 | 0 | 0 | 0 | 110.2 | ||||
| 63 | P | 38.3 | Very low | 32.4 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -153.3 | 169.5 | 92.7 | 42.8 | -25.9 | 0 | 0 | 0 | 117.3 | |||||
| 64 | V | 28.4 | Very low | 31.9 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | 75.5 | 123.7 | 161.4 | -166.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 65 | V | 29.1 | Very low | 31.8 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -112.4 | 165.1 | 160.9 | -149.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 66 | P | 43 | Very low | 31.2 | Very low | 95 Ų | 95 | 141 Ų | 141 | 62% | 0.617 | 79% | 0.791 | S | S | * | * | -156.9 | 171.3 | 97.6 | 37.6 | -16.9 | 0 | 0 | 0 | 118.4 | |||||
| 67 | Y | 28.6 | Very low | 31.8 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | trans | 78.2 | 128.6 | 165 | -65.9 | -70.9 | 0 | 0 | 0 | 120.6 | ||||
| 68 | G | 29.8 | Very low | 31.7 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 160.2 | 65.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 69 | M | 29.8 | Very low | 31.3 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | trans | -78 | 133 | -169.8 | -178.5 | -175.5 | -174.6 | 0 | 0 | 113.8 | ||||
| 70 | Y | 32.5 | Very low | 30.8 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | 172.4 | 169 | 122.4 | -97.4 | -70.3 | 0 | 0 | 0 | 112.5 | |||||
| 71 | I | 31.4 | Very low | 30.4 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -131.4 | 143.9 | -162.6 | -73.4 | 170.7 | 0 | 0 | 0 | 111.4 | ||||
| 72 | L | 27.3 | Very low | 30.4 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -162.6 | 138.4 | 133.6 | -132.3 | 77.3 | 0 | 0 | 0 | 114.3 | ||||
| 73 | N | 27.3 | Very low | 30.3 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 11.3 | 141.1 | 152.6 | -57.3 | 1.7 | 0 | 0 | 0 | 120.6 | ||||
| 74 | A | 28 | Very low | 29.6 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | 66.2 | 139 | 50.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 75 | S | 27.8 | Very low | 29.7 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | cis | -161.4 | 154.2 | 11.7 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 76 | N | 26.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 7.3 | 165.2 | 134.4 | -76.9 | 34.4 | 0 | 0 | 0 | 122.2 | ||||
| 77 | P | 47.3 | Very low | 28.6 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 60% | 0.597 | 78% | 0.778 | S | S | * | * | cis | -146.9 | -165.8 | -25.1 | 41.8 | -21.5 | 0 | 0 | 0 | 115.6 | ||||
| 78 | D | 26.5 | Very low | 28.5 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | 53 | 129.2 | 147.4 | -57 | -32.2 | 0 | 0 | 0 | 123.6 | ||||
| 79 | T | 28.1 | Very low | 28.3 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | -179.2 | 139.7 | 99.3 | -68.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 80 | A | 28 | Very low | 28.2 | Very low | 76 Ų | 76 | 141 Ų | 141 | 63% | 0.628 | 78% | 0.775 | S | S | * | * | trans | -22.6 | 141.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 81 | F | 25.1 | Very low | 28.2 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 46.9 | 125.2 | 134.4 | -76.1 | -94.3 | 0 | 0 | 0 | 122.7 | ||||
| 82 | N | 26.8 | Very low | 28 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | -154.2 | 164.9 | 118.3 | -121.1 | -40.7 | 0 | 0 | 0 | 112.3 | |||||
| 83 | S | 25.6 | Very low | 28.1 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -117.3 | 136.1 | -161.3 | 57.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 84 | N | 25 | Very low | 28.6 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -161.7 | 146.6 | 138.7 | -135.9 | 14.5 | 0 | 0 | 0 | 111.1 | ||||
| 85 | P | 29.1 | Very low | 28.9 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -92.2 | 111.4 | 179.3 | 33.4 | -29.1 | 0 | 0 | 0 | 112.2 | V87 | P85-V87 PolarHBondContact O-N 3.19Š| ||
| 86 | E | 23.6 | Very low | 29.3 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -82.7 | 109.7 | 169.6 | -166.2 | -176 | 143.7 | 0 | 0 | 109.7 | K88 | E86-K88 PolarHBondContact O-N 2.58Š| ||
| 87 | V | 26 | Very low | 29.6 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -74.7 | 92.4 | 179.8 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | P85 E89 | P85-V87 PolarHBondContact O-N 3.19Å; V87-E89 PolarHBondContact O-N 3.39Å | ||
| 88 | K | 26.6 | Very low | 29 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -86.5 | 106 | 179.9 | -162.7 | 162.2 | -167.6 | 156.1 | 0 | 110.5 | E86 T90 | E86-K88 PolarHBondContact O-N 2.58Å; K88-T90 PolarHBondContact O-N 3.16Å | ||
| 89 | E | 25.9 | Very low | 29.6 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -59.9 | 108.1 | 176 | -67.8 | -167.9 | 129.8 | 0 | 0 | 111.1 | V87 S91 | V87-E89 PolarHBondContact O-N 3.39Å; E89-S91 PolarHBondContact O-N 2.79Å | ||
| 90 | T | 27.3 | Very low | 29.9 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -84.9 | 104.4 | 171 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | K88 G92 | K88-T90 PolarHBondContact O-N 3.16Å; T90-G92 PolarHBondContact O-N 2.83Å | ||
| 91 | S | 31.9 | Very low | 30.2 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -61.7 | 96.1 | 167.3 | 55 | 0 | 0 | 0 | 0 | 109.8 | E89 D93 | E89-S91 PolarHBondContact O-N 2.79Å; S91-D93 PolarHBondContact O-N 2.99Å | ||
| 92 | G | 28.9 | Very low | 30.5 | Very low | 62 Ų | 62 | 127 Ų | 127 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | trans | -69.6 | 92.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T90 F94 | T90-G92 PolarHBondContact O-N 2.83Å; G92-F94 PolarHBondContact O-N 3.43Å | ||
| 93 | D | 27.6 | Very low | 30.8 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -59.6 | 124.7 | 176.1 | -104.3 | -36.7 | 0 | 0 | 0 | 111.3 | S91 S95 | S91-D93 PolarHBondContact O-N 2.99Å; D93-S95 PolarHBondContact O-N 3.32Å | ||
| 94 | F | 39.5 | Very low | 31.3 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 58% | 0.575 | 71% | 0.709 | S | S | * | * | trans | -75.7 | 89.9 | 177.5 | -83.1 | -109.4 | 0 | 0 | 0 | 110.7 | G92 K347 | G92-F94 PolarHBondContact O-N 3.43Å; F94-K347 HydrophobicContact CE1-CD 4.28Å; F94-K347 HydrophobicContact CZ-CD 4.32Å | ||
| 95 | S | 32.8 | Very low | 31.7 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | trans | -106.4 | 131.9 | 165.3 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | D93 | D93-S95 PolarHBondContact O-N 3.32Š| ||
| 96 | S | 36 | Very low | 31.8 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | 50.3 | 80.2 | 171.8 | 54.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 97 | V | 33.9 | Very low | 32.2 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 70% | 0.703 | 71% | 0.708 | S | S | * | * | trans | -78.9 | 127.3 | 131.3 | -176.8 | 0 | 0 | 0 | 0 | 105.6 | L99 | V97-L99 HydrophobicContact CG1-CD2 4.21Š| ||
| 98 | D | 34.9 | Very low | 32.4 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | -76.6 | 134.9 | 172.7 | -170 | 19.6 | 0 | 0 | 0 | 110 | S100 | D98-S100 VanDerWaalsContact CG-OG 3.22Å; D98-S100 PolarHBondContact OD1-N 3.35Å; D98-S100 PolarHBondContact OD1-OG 2.88Å; D98-S100 WeakPolarHBondContact OD2-CB 3.46Å; D98-S100 PolarHBondContact OD2-OG 2.96Å | ||
| 99 | L | 39 | Very low | 32.5 | Very low | 75 Ų | 75 | 127 Ų | 127 | 39% | 0.393 | 71% | 0.71 | S | S | . | * | trans | -122.4 | 24.7 | -177.5 | -64 | 177.5 | 0 | 0 | 0 | 111.2 | V97 F101 L102 | V97-L99 HydrophobicContact CG1-CD2 4.21Å; L99-F101 PolarHBondContact O-N 3.22Å; L99-F101 VanDerWaalsContact O-N 3.12Å; L99-L102 PolarHBondContact O-N 3.04Å | ||
| 100 | S | 34.5 | Very low | 32.8 | Very low | 75 Ų | 75 | 124.5 Ų | 124.5 | 52% | 0.524 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.4 | -14.5 | 175.3 | 52.1 | 0 | 0 | 0 | 0 | 115 | D98 | D98-S100 VanDerWaalsContact CG-OG 3.22Å; D98-S100 PolarHBondContact OD1-N 3.35Å; D98-S100 PolarHBondContact OD1-OG 2.88Å; D98-S100 WeakPolarHBondContact OD2-CB 3.46Å; D98-S100 PolarHBondContact OD2-OG 2.96Å |
| 101 | F | 34.5 | Very low | 32.9 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 5.9 | -176.9 | -82 | -93.9 | 0 | 0 | 0 | 115.7 | L99 P103 | L99-F101 PolarHBondContact O-N 3.22Å; L99-F101 VanDerWaalsContact O-N 3.12Å; F101-P103 WeakPolarHBondContact O-CD 3.41Å |
| 102 | L | 31.3 | Very low | 32.8 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 42% | 0.419 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -87.3 | 120.1 | 172.2 | -67.4 | 179.2 | 0 | 0 | 0 | 110.7 | L99 | L99-L102 PolarHBondContact O-N 3.04Š|
| 103 | P | 33.5 | Very low | 32.8 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | trans | -73.4 | 128 | 179.4 | 28.4 | -33.8 | 0 | 0 | 0 | 112.2 | F101 E105 | F101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 2.97Å | ||
| 104 | D | 35.7 | Very low | 33 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -75.9 | 73.6 | 171.8 | -90 | -31.3 | 0 | 0 | 0 | 110.9 | V106 | D104-V106 VanDerWaalsContact C-N 3.32Å; D104-V106 PolarHBondContact O-N 2.97Å | ||
| 105 | E | 33.5 | Very low | 32.4 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -69.8 | 86 | 169.6 | -76.9 | -157.5 | 135.8 | 0 | 0 | 111.4 | P103 T107 | P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 2.97Å; E105-T107 PolarHBondContact O-N 2.87Å | ||
| 106 | V | 31.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | -72.2 | 110.1 | 172 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | D104 Q108 | D104-V106 VanDerWaalsContact C-N 3.32Å; D104-V106 PolarHBondContact O-N 2.97Å; V106-Q108 PolarHBondContact O-N 3.14Å | ||
| 107 | T | 32.3 | Very low | 31.6 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | trans | -58.2 | 119.5 | 178 | -41.5 | 0 | 0 | 0 | 0 | 111.6 | E105 E109 | E105-T107 PolarHBondContact O-N 2.87Å; T107-E109 HydrophobicContact CG2-CG 4.4Å | ||
| 108 | Q | 30 | Very low | 31.3 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -108.1 | 92.8 | 173 | -179.5 | 178 | -36 | 0 | 0 | 109.6 | V106 N110 | V106-Q108 PolarHBondContact O-N 3.14Å; Q108-N110 PolarHBondContact NE2-OD1 2.9Å | ||
| 109 | E | 28.8 | Very low | 31.1 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | -84.3 | 125.7 | 164.2 | -72.9 | -171 | 108.8 | 0 | 0 | 109.7 | T107 | T107-E109 HydrophobicContact CG2-CG 4.4Š| ||
| 110 | N | 30.7 | Very low | 30.6 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -81.1 | 143 | -179.1 | -69.6 | -38.1 | 0 | 0 | 0 | 111 | Q108 | Q108-N110 PolarHBondContact NE2-OD1 2.9Š| ||
| 111 | K | 30.8 | Very low | 30.2 | Very low | 192 Ų | 192 | 150 Ų | 150 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -105.6 | 113.2 | 155.6 | 176.7 | -171.6 | 176.9 | -176.3 | 0 | 107.3 | ||||
| 112 | D | 30.3 | Very low | 29.9 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -168 | 136.5 | 143.6 | -94.6 | -27.8 | 0 | 0 | 0 | 109.8 | ||||
| 113 | Q | 28.4 | Very low | 29.7 | Very low | 185 Ų | 185 | 152.4 Ų | 152.4 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -145.2 | 113.8 | 178.3 | -159.4 | 176.6 | 40.7 | 0 | 0 | 107.5 | ||||
| 114 | P | 30.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -78 | 137.9 | -173.9 | 30.1 | -33.8 | 0 | 0 | 0 | 111.4 | ||||
| 115 | V | 27.5 | Very low | 29.2 | Very low | 141 Ų | 141 | 156.8 Ų | 156.8 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -74.1 | 124.5 | 171 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 116 | I | 28.7 | Very low | 29 | Very low | 150 Ų | 150 | 153.7 Ų | 153.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -119.7 | 123.6 | 161.4 | -63.5 | -178.7 | 0 | 0 | 0 | 107.7 | ||||
| 117 | S | 23 | Very low | 28.8 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -105.1 | 123.6 | 172.4 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 118 | S | 27.8 | Very low | 28.7 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -129.1 | 120.4 | 168.3 | 55.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 119 | R | 29.6 | Very low | 28.6 | Very low | 212 Ų | 212 | 155.2 Ų | 155.2 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -69.2 | 151.3 | -179.4 | -62.3 | 171.6 | 177.1 | 157.5 | -3.9 | 111 | ||||
| 120 | H | 28.8 | Very low | 28.6 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | trans | -137.7 | 142.8 | 144 | -114 | -91.3 | 0 | 0 | 0 | 108.6 | ||||
| 121 | E | 26 | Very low | 29.1 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -106.6 | 142.6 | -174 | -63.3 | 163 | 156 | 0 | 0 | 109.7 | ||||
| 122 | T | 28.5 | Very low | 28.9 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -154.5 | 147.7 | 150.2 | -62.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 123 | E | 28 | Very low | 28.7 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 148.4 | -165.5 | -57.7 | 148.3 | 121.1 | 0 | 0 | 113.5 | ||||
| 124 | E | 30.3 | Very low | 28.5 | Very low | 202 Ų | 202 | 149 Ų | 149 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | trans | -140 | 139.7 | 141.6 | -166.2 | 167.7 | -152.6 | 0 | 0 | 108.1 | ||||
| 125 | N | 27.7 | Very low | 28.4 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 116.5 | -167.2 | 173.5 | 38.2 | 0 | 0 | 0 | 111.6 | ||||
| 126 | S | 28.9 | Very low | 28.8 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -155.3 | 121.1 | 156 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 127 | E | 28.2 | Very low | 28.6 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -42.7 | 159 | 159.1 | -76.6 | 172.1 | 108 | 0 | 0 | 114.7 | ||||
| 128 | S | 29 | Very low | 29.2 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | cis | -166.7 | 164.7 | 5.7 | 38.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 129 | Q | 29.7 | Very low | 29.1 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 40 | 147.9 | 138.3 | -64.6 | 177.9 | 32.7 | 0 | 0 | 122.1 | ||||
| 130 | S | 28.3 | Very low | 29.1 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | -166.5 | -164.9 | -16.3 | 72.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 131 | P | 39.8 | Very low | 29 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -126.6 | -163.4 | -133.7 | 34.6 | -10.1 | 0 | 0 | 0 | 116.2 | ||||
| 132 | Q | 27.2 | Very low | 29 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 79.3 | 149.4 | 164 | -66 | 179.4 | 16.6 | 0 | 0 | 116.8 | ||||
| 133 | S | 25.8 | Very low | 29.1 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -163 | 166.5 | -10.4 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 134 | R | 25.4 | Very low | 29.1 | Very low | 236 Ų | 236 | 137 Ų | 137 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | trans | 52.4 | 114.9 | 139 | -170.4 | 177.1 | -66.2 | -117.6 | 3 | 121.1 | ||||
| 135 | L | 27.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -50.2 | 150.1 | 159.6 | -92.4 | 157.8 | 0 | 0 | 0 | 114.5 | ||||
| 136 | P | 35.1 | Very low | 29 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | -147.4 | 174.8 | 77.5 | 40.3 | -22.2 | 0 | 0 | 0 | 117.8 | |||||
| 137 | S | 26 | Very low | 29.1 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -82.6 | 165.3 | 173.3 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 138 | P | 35.2 | Very low | 29.2 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | -153.2 | 173.8 | 101.2 | 39.3 | -22 | 0 | 0 | 0 | 117.1 | |||||
| 139 | S | 26.1 | Very low | 29.2 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 61.6 | 153.8 | 150.3 | 53.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 140 | E | 28.4 | Very low | 29.4 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | -169.4 | 151 | -23 | -108.3 | -165.6 | 103 | 0 | 0 | 109.3 | ||||
| 141 | Q | 28.6 | Very low | 29.7 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | 62.3 | 165 | 159.4 | -57.9 | 164 | 29.9 | 0 | 0 | 116.1 | ||||
| 142 | D | 25.9 | Very low | 29.4 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | cis | -147.3 | -171.4 | -10.6 | -151.7 | -9.2 | 0 | 0 | 0 | 111.8 | ||||
| 143 | I | 30.6 | Very low | 29.6 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -59.4 | 146 | 179.2 | -62.3 | 151.7 | 0 | 0 | 0 | 115.2 | ||||
| 144 | G | 27.1 | Very low | 30 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -164.1 | 146.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 145 | L | 29.7 | Very low | 30.3 | Very low | 185 Ų | 185 | 125.5 Ų | 125.5 | 97% | 0.969 | 76% | 0.756 | S | S | * | * | trans | -115.3 | 164.2 | -170.9 | -67.2 | 162.7 | 0 | 0 | 0 | 113.7 | ||||
| 146 | G | 26.3 | Very low | 30.5 | Very low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | 121.4 | 124.5 | 166 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 147 | L | 31.8 | Very low | 30.5 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | cis | 61.7 | 109.4 | 41 | -54.3 | 178.4 | 0 | 0 | 0 | 112 | ||||
| 148 | N | 30.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | cis | 75.8 | 79.8 | 44.7 | -55.3 | 33.4 | 0 | 0 | 0 | 113.4 | ||||
| 149 | S | 28.3 | Very low | 30.6 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -99 | 128.5 | 159 | 42.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 150 | S | 34.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | 90.7 | 110.6 | 38.5 | 77.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 151 | S | 33.4 | Very low | 32.1 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 163.7 | 150 | 134.9 | 41 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 152 | L | 33.2 | Very low | 32.1 | Very low | 164 Ų | 164 | 127 Ų | 127 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | cis | -164.6 | 162.8 | -13 | -95.7 | 167.9 | 0 | 0 | 0 | 105.1 | ||||
| 153 | S | 33.1 | Very low | 32.4 | Very low | 85 Ų | 85 | 128 Ų | 128 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | cis | -174.7 | 155.2 | -5.3 | 53.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 154 | N | 33.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | 47 | 148.6 | 135.6 | -70.1 | 7.9 | 0 | 0 | 0 | 122.6 | ||||
| 155 | S | 31.6 | Very low | 32.7 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 57% | 0.573 | 77% | 0.769 | S | S | * | * | cis | -167.7 | 156.9 | 2.9 | -108.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 156 | H | 33.1 | Very low | 32.8 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | 44.4 | 151.8 | 144.1 | -77.7 | -110.6 | 0 | 0 | 0 | 122.6 | ||||
| 157 | S | 33.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 55% | 0.552 | 77% | 0.768 | S | S | * | * | cis | -177.6 | 139.7 | -16 | 49.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 158 | Q | 32.9 | Very low | 33.2 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 68.1 | 167.8 | 152.3 | -69.7 | 171.7 | -62.7 | 0 | 0 | 118.5 | ||||
| 159 | L | 31.7 | Very low | 33.7 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | cis | -144.5 | -120.9 | 1.7 | -136.4 | 169.8 | 0 | 0 | 0 | 114.9 | ||||
| 160 | H | 32.5 | Very low | 33.6 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | trans | -160 | -179.4 | -169.9 | -90.4 | -76.3 | 0 | 0 | 0 | 109.6 | ||||
| 161 | P | 53.6 | Low | 34 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | cis | -132.8 | -168.7 | -19.8 | 34.1 | -12.9 | 0 | 0 | 0 | 114.1 | ||||
| 162 | G | 28.1 | Very low | 33.6 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | 148.4 | 136.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 163 | D | 31.7 | Very low | 33.6 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -106.4 | 159.8 | 179.3 | -48.2 | -91.7 | 0 | 0 | 0 | 113.7 | ||||
| 164 | T | 33.1 | Very low | 33.9 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | 170.5 | 163.7 | 129.4 | 31 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 165 | D | 30.9 | Very low | 33.8 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -70.3 | 160.3 | -174.8 | -63.3 | -82.1 | 0 | 0 | 0 | 117.5 | ||||
| 166 | S | 32.1 | Very low | 33.8 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 175.2 | 130.1 | 115.8 | -81.9 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 167 | V | 33.1 | Very low | 33.7 | Very low | 141 Ų | 141 | 136 Ų | 136 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 77.2 | 135.7 | 131.7 | 174.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 168 | Q | 32.5 | Very low | 33.6 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -84.3 | 170.2 | 172.4 | -111.4 | -175.3 | -70.1 | 0 | 0 | 112.2 | ||||
| 169 | P | 41.2 | Very low | 33.9 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | cis | -151.8 | -171 | 46.6 | 42.3 | -19.2 | 0 | 0 | 0 | 118.4 | ||||
| 170 | S | 26.1 | Very low | 33.9 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | trans | -64.1 | 176.6 | 169.6 | -51.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 171 | P | 43.1 | Very low | 34.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | cis | -153.9 | -179.6 | 34.1 | 45.2 | -22.5 | 0 | 0 | 0 | 122.1 | ||||
| 172 | E | 26 | Very low | 33.8 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 90.5 | 167.8 | 143.6 | -89.8 | 164.9 | -175.5 | 0 | 0 | 124 | ||||
| 173 | K | 32.9 | Very low | 34.3 | Very low | 198 Ų | 198 | 138.2 Ų | 138.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -117.7 | -175.8 | -158.2 | -85.5 | -174.9 | 177.9 | -178.4 | 0 | 109.8 | ||||
| 174 | P | 40.1 | Very low | 35.1 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | -147.4 | 178.7 | 18.7 | 44.9 | -24 | 0 | 0 | 0 | 119.7 | ||||
| 175 | N | 29.3 | Very low | 35.6 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 37.8 | 129.7 | 146.8 | -57 | 2.7 | 0 | 0 | 0 | 123.1 | ||||
| 176 | S | 31.9 | Very low | 36.2 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -172.5 | 160.5 | 108.2 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 177 | D | 31.6 | Very low | 36.9 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -79.4 | 153.3 | -170.7 | -50.6 | -96.1 | 0 | 0 | 0 | 115.6 | ||||
| 178 | S | 31.1 | Very low | 37.7 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -151.9 | 137.5 | 151.1 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 179 | L | 39.8 | Very low | 38.5 | Very low | 185 Ų | 185 | 135.8 Ų | 135.8 | 97% | 0.969 | 80% | 0.796 | S | S | * | * | trans | -83 | 136.4 | 179.3 | -66.5 | 166.2 | 0 | 0 | 0 | 110.2 | ||||
| 180 | S | 31.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -129.6 | 128.1 | 172.3 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 181 | L | 43 | Very low | 39.7 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | trans | -96.8 | 105.7 | -174.4 | -154.8 | 78.7 | 0 | 0 | 0 | 109.6 | ||||
| 182 | A | 40.5 | Very low | 39.7 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -87.6 | 143.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 183 | P | 39.4 | Very low | 40.7 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 139.4 | -179.9 | -19 | 32.3 | 0 | 0 | 0 | 113 | T185 | P183-T185 PolarHBondContact O-N 3.39Å; P183-T185 VanDerWaalsContact O-N 3.11Å | ||
| 184 | I | 46.8 | Very low | 41.5 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 103.1 | 173.9 | -49.3 | 173 | 0 | 0 | 0 | 108.5 | ||||
| 185 | T | 44.4 | Very low | 41.9 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 134.9 | 166.8 | 43.1 | 0 | 0 | 0 | 0 | 109.3 | P183 M187 | P183-T185 PolarHBondContact O-N 3.39Å; P183-T185 VanDerWaalsContact O-N 3.11Å; T185-M187 PolarHBondContact O-N 2.75Å; T185-M187 VanDerWaalsContact O-N 3.16Å | ||
| 186 | P | 43.7 | Very low | 43 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -68.6 | 115.8 | 177 | 27.4 | -32.7 | 0 | 0 | 0 | 109.1 | T188 | P186-T188 PolarHBondContact O-N 3.04Š| ||
| 187 | M | 46.5 | Very low | 44.3 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | trans | -63.3 | 105 | 176.5 | -68.8 | -75.4 | -82.5 | 0 | 0 | 109.4 | T185 | T185-M187 PolarHBondContact O-N 2.75Å; T185-M187 VanDerWaalsContact O-N 3.16Å | ||
| 188 | T | 50.2 | Low | 46.7 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | trans | -55.2 | 126.3 | 169.3 | -44.8 | 0 | 0 | 0 | 0 | 108.1 | P186 M190 | P186-T188 PolarHBondContact O-N 3.04Å; T188-M190 PolarHBondContact O-N 2.8Å; T188-M190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | P | 48.6 | Very low | 49.6 | Very low | 110 Ų | 110 | 120.6 Ų | 120.6 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | trans | -61.5 | 121.6 | 178.8 | 24.9 | -33.1 | 0 | 0 | 0 | 108.6 | T191 | P189-T191 PolarHBondContact O-N 3.08Š| ||
| 190 | M | 42.2 | Very low | 52.1 | Low | 187 Ų | 187 | 115.7 Ų | 115.7 | 92% | 0.921 | 71% | 0.706 | S | S | * | * | trans | -63.5 | 102.8 | 168.9 | -73.6 | -177.4 | 170 | 0 | 0 | 107.5 | T188 | T188-M190 PolarHBondContact O-N 2.8Å; T188-M190 VanDerWaalsContact O-N 3.11Å | ||
| 191 | T | 50 | Low | 55.2 | Low | 123 Ų | 123 | 110.2 Ų | 110.2 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 128 | 163.9 | 24.5 | 0 | 0 | 0 | 0 | 107.5 | P189 V193 | P189-T191 PolarHBondContact O-N 3.08Å; T191-V193 PolarHBondContact O-N 2.9Å |
| 192 | P | 44.6 | Very low | 57.7 | Low | 119 Ų | 119 | 106.9 Ų | 106.9 | 77% | 0.773 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 120.3 | 176.4 | 25 | -32.6 | 0 | 0 | 0 | 107.6 | S194 | P192-S194 PolarHBondContact O-N 2.98Å; P192-S194 VanDerWaalsContact O-N 3.12Å |
| 193 | V | 45.8 | Very low | 60.4 | Low | 123 Ų | 123 | 103.8 Ų | 103.8 | 75% | 0.745 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 121.3 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 106.3 | T191 E195 | T191-V193 PolarHBondContact O-N 2.9Å; V193-E195 PolarHBondContact O-N 3.21Å; V193-E195 VanDerWaalsContact O-N 3.1Å |
| 194 | S | 50.4 | Low | 63.2 | Low | 79 Ų | 79 | 100.9 Ų | 100.9 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | trans | -43.5 | 119.9 | -176.8 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | P192 C196 | P192-S194 PolarHBondContact O-N 2.98Å; P192-S194 VanDerWaalsContact O-N 3.12Å; S194-C196 PolarHBondContact O-N 3.36Å; S194-C196 PolarHBondContact O-SG 2.87Å; S194-C196 VanDerWaalsContact O-SG 3.37Å | ||
| 195 | E | 48.2 | Very low | 65.6 | Low | 141 Ų | 141 | 94.7 Ų | 94.7 | 66% | 0.659 | 56% | 0.563 | S | S | * | * | trans | -45.2 | 104.5 | -173.4 | -64.4 | 174.5 | 132.1 | 0 | 0 | 110.2 | V193 C197 K371 | V193-E195 PolarHBondContact O-N 3.21Å; V193-E195 VanDerWaalsContact O-N 3.1Å; E195-C197 VanDerWaalsContact C-N 3.3Å; E195-C197 PolarHBondContact O-N 2.88Å; E195-K371 IonicContact OE2-NZ 2.85Å; E195-K371 PolarHBondContact OE2-NZ 2.92Å | ||
| 196 | C | 51.6 | Low | 68.1 | Low | 113 Ų | 113 | 89.6 Ų | 89.6 | 76% | 0.764 | 53% | 0.532 | S | S | * | . | trans | -68.2 | 89.7 | -167.7 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | S194 G198 | S194-C196 PolarHBondContact O-N 3.36Å; S194-C196 PolarHBondContact O-SG 2.87Å; S194-C196 VanDerWaalsContact O-SG 3.37Å; C196-G198 PolarHBondContact O-N 2.8Å | ||
| 197 | C | 60.6 | Low | 70.7 | Confident | 44 Ų | 44 | 84.8 Ų | 84.8 | 30% | 0.297 | 50% | 0.5 | S | S | . | . | trans | -62.7 | 124.6 | 175.7 | -168.3 | 0 | 0 | 0 | 0 | 108 | E195 I199 Y367 | E195-C197 VanDerWaalsContact C-N 3.3Å; E195-C197 PolarHBondContact O-N 2.88Å; C197-I199 PolarHBondContact O-N 3.35Å; C197-I199 WeakPolarHBondContact SG-CD1 3.12Å; C197-I199 VanDerWaalsContact SG-CG1 3.56Å; C197-Y367 HydrophobicContact CB-CD1 4.14Å; C197-Y367 HydrophobicContact CB-CE1 3.51Å; C197-Y367 HydrophobicContact CB-CE2 4.06Å; C197-Y367 VanDerWaalsContact CB-CZ 3.48Å; C197-Y367 PolarHBondContact SG-OH 3.21Å; C197-Y367 VanDerWaalsContact SG-OH 3.32Å | ||
| 198 | G | 81.6 | Confident | 73.2 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 79% | 0.794 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -66.3 | 17.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C196 V200 | C196-G198 PolarHBondContact O-N 2.8Å; G198-V200 PolarHBondContact O-N 2.86Å |
| 199 | I | 91.5 | Very high | 75.5 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 18% | 0.179 | 43% | 0.434 | C | S | . | . | trans | -89.7 | 94.9 | 178.4 | -61.8 | 175.3 | 0 | 0 | 0 | 107.3 | C197 C300 D301 R303 F363 | C197-I199 PolarHBondContact O-N 3.35Å; C197-I199 WeakPolarHBondContact SG-CD1 3.12Å; C197-I199 VanDerWaalsContact SG-CG1 3.56Å; I199-C300 HydrophobicContact CG2-CB 4.06Å; I199-D301 WeakPolarHBondContact CG2-O 3.17Å; I199-R303 HydrophobicContact CD1-CG 4.13Å; I199-F363 HydrophobicContact CB-CE1 4.45Å; I199-F363 HydrophobicContact CB-CZ 4.32Å; I199-F363 HydrophobicContact CG2-CE1 4.38Å; I199-F363 HydrophobicContact CG2-CZ 3.94Å; I199-F363 WeakPolarHBondContact O-CE1 3.31Å | ||
| 200 | V | 93.7 | Very high | 77.8 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | trans | -91.7 | 123.7 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | G198 Q202 Y360 | G198-V200 PolarHBondContact O-N 2.86Å; V200-Q202 PolarHBondContact O-N 2.91Å; V200-Q202 PolarHBondContact O-NE2 3.46Å; V200-Y360 HydrophobicContact CG1-CD1 4.5Å; V200-Y360 HydrophobicContact CG1-CE1 3.65Å | ||
| 201 | P | 95.6 | Very high | 80.5 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.019 | 37% | 0.369 | C | S | . | . | trans | -53.7 | 134.7 | 171.5 | -27.9 | 33.5 | 0 | 0 | 0 | 113.9 | C300 I359 Y360 F363 | P201-C300 HydrophobicContact CG-CB 4.39Å; P201-I359 HydrophobicContact CB-CG2 3.8Å; P201-I359 HydrophobicContact CG-CG2 4.48Å; P201-Y360 HydrophobicContact CB-CD1 4.19Å; P201-Y360 HydrophobicContact CB-CE1 3.94Å; P201-Y360 HydrophobicContact CG-CD1 4.02Å; P201-Y360 HydrophobicContact CG-CE1 4.18Å; P201-Y360 WeakPolarHBondContact O-CE1 3.12Å; P201-Y360 PolarHBondContact O-OH 3.35Å; P201-F363 HydrophobicContact CG-CB 3.55Å; P201-F363 HydrophobicContact CG-CD1 3.74Å; P201-F363 HydrophobicContact CG-CD2 4.16Å; P201-F363 HydrophobicContact CG-CG 3.52Å | ||
| 202 | Q | 96.6 | Very high | 82.8 | Confident | 107 Ų | 107 | 54.8 Ų | 54.8 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.1 | -178.2 | -58.8 | -56 | -47.5 | 0 | 0 | 110.5 | V200 G298 S299 | V200-Q202 PolarHBondContact O-N 2.91Å; V200-Q202 PolarHBondContact O-NE2 3.46Å; Q202-G298 CarbonylContact O-C 3.57Å; Q202-G298 VanDerWaalsContact O-CA 3.32Å; Q202-G298 WeakPolarHBondContact O-CA 3.47Å; Q202-S299 PolarHBondContact N-O 3Å; Q202-S299 PolarHBondContact O-N 2.87Å |
| 203 | L | 96.9 | Very high | 85.3 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.3 | 177.5 | -64.4 | 176.6 | 0 | 0 | 0 | 110.7 | I206 K263 M296 R356 I359 | L203-I206 HydrophobicContact CD1-CD1 4.28Å; L203-K263 WeakPolarHBondContact CB-O 3.49Å; L203-M296 HydrophobicContact CD1-CE 3.64Å; L203-M296 HydrophobicContact CD2-CE 3.85Å; L203-M296 HydrophobicContact CG-CE 4.42Å; L203-R356 HydrophobicContact CD1-CG 4.13Å; L203-I359 HydrophobicContact CD2-CD1 3.57Å |
| 204 | Q | 96.8 | Very high | 87.7 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -34 | -177.9 | -58 | -57.2 | -14.6 | 0 | 0 | 113.3 | V297 S299 | Q204-V297 PolarHBondContact N-O 3.42Å; Q204-S299 VanDerWaalsContact CG-OG 3.28Å; Q204-S299 WeakPolarHBondContact CG-OG 3.22Å; Q204-S299 PolarHBondContact NE2-OG 2.79Å |
| 205 | N | 97.4 | Very high | 89.9 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 145.5 | 178.6 | -179.7 | 33.3 | 0 | 0 | 0 | 110.8 | G261 A262 V297 | N205-G261 VanDerWaalsContact OD1-CA 3.31Å; N205-G261 WeakPolarHBondContact OD1-CA 3.44Å; N205-G261 PolarHBondContact OD1-N 2.88Å; N205-A262 CarbonylContact C-O 3.51Å; N205-A262 WeakPolarHBondContact CA-O 3.31Å; N205-V297 HydrophobicContact CB-CB 4.21Å; N205-V297 HydrophobicContact CB-CG2 4.34Å; N205-V297 PolarHBondContact N-O 2.88Å; N205-V297 PolarHBondContact O-N 3.28Å |
| 206 | I | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 125.5 | 174.7 | -63.7 | 169.1 | 0 | 0 | 0 | 108.7 | L203 A262 S264 E265 I293 M296 | L203-I206 HydrophobicContact CD1-CD1 4.28Å; I206-A262 PolarHBondContact N-O 3.26Å; I206-S264 VanDerWaalsContact CD1-CA 3.46Å; I206-E265 HydrophobicContact CD1-CG 4.22Å; I206-I293 HydrophobicContact CG2-CD1 3.87Å; I206-I293 HydrophobicContact CG2-CG2 3.96Å; I206-M296 HydrophobicContact CD1-CE 3.9Å; I206-M296 HydrophobicContact CG1-CE 4.13Å; I206-M296 HydrophobicContact CG1-CG 4.27Å; I206-M296 HydrophobicContact CG2-CG 4.43Å |
| 207 | V | 98 | Very high | 94.4 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.8 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | V258 C259 T260 Q294 N295 | V207-V258 HydrophobicContact CG1-CG1 3.95Å; V207-C259 WeakPolarHBondContact CA-O 3.48Å; V207-T260 HydrophobicContact CB-CG2 4.45Å; V207-T260 HydrophobicContact CG1-CG2 4.12Å; V207-T260 HydrophobicContact CG2-CG2 4.03Å; V207-Q294 HydrophobicContact CG1-CB 4.45Å; V207-Q294 PolarHBondContact O-N 3.29Å; V207-N295 HydrophobicContact CB-CB 4.17Å; V207-N295 HydrophobicContact CG2-CB 4.33Å; V207-N295 PolarHBondContact N-O 2.96Å; V207-N295 PolarHBondContact O-N 2.9Å |
| 208 | S | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155 | 173.9 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | V258 C259 S268 F291 K292 | S208-V258 CarbonylContact O-C 3.58Å; S208-V258 WeakPolarHBondContact O-CA 3.22Å; S208-C259 PolarHBondContact N-O 2.84Å; S208-C259 PolarHBondContact O-N 2.92Å; S208-S268 WeakPolarHBondContact CB-OG 3.32Å; S208-S268 PolarHBondContact OG-OG 3.05Å; S208-F291 WeakPolarHBondContact OG-CE2 3.49Å; S208-K292 CarbonylContact C-O 3.56Å; S208-K292 VanDerWaalsContact CA-O 3.27Å; S208-K292 WeakPolarHBondContact CA-O 3.49Å; S208-K292 WeakPolarHBondContact CB-O 3.2Å |
| 209 | T | 98.3 | Very high | 96.8 | Very high | 37 Ų | 37 | 44.3 Ų | 44.3 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 151.7 | 170.7 | 51 | 0 | 0 | 0 | 0 | 110.6 | M257 V258 F291 K292 Q294 | T209-M257 CarbonylContact C-O 3.52Å; T209-M257 WeakPolarHBondContact CA-O 3.33Å; T209-V258 HydrophobicContact CG2-CG2 4.13Å; T209-F291 WeakPolarHBondContact O-CA 3.29Å; T209-K292 PolarHBondContact N-O 3.37Å; T209-K292 PolarHBondContact O-N 2.82Å; T209-Q294 HydrophobicContact CG2-CG 3.7Å; T209-Q294 PolarHBondContact OG1-NE2 2.97Å |
| 210 | V | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 152.2 | 171.4 | 67.9 | 0 | 0 | 0 | 0 | 110.1 | M257 A272 F288 L289 F291 | V210-M257 HydrophobicContact CG1-CB 3.92Å; V210-M257 HydrophobicContact CG1-CE 3.28Å; V210-M257 HydrophobicContact CG1-CG 4.35Å; V210-M257 PolarHBondContact N-O 3.13Å; V210-M257 PolarHBondContact O-N 3.1Å; V210-A272 HydrophobicContact CG1-CB 4.27Å; V210-F288 HydrophobicContact CB-CE2 4.46Å; V210-F288 HydrophobicContact CG2-CD1 4.49Å; V210-F288 HydrophobicContact CG2-CD2 3.69Å; V210-F288 HydrophobicContact CG2-CE1 4.48Å; V210-F288 HydrophobicContact CG2-CE2 3.67Å; V210-F288 HydrophobicContact CG2-CG 4.11Å; V210-F288 HydrophobicContact CG2-CZ 4.08Å; V210-L289 WeakPolarHBondContact CG2-O 3.07Å; V210-F291 HydrophobicContact CB-CD2 4.31Å; V210-F291 HydrophobicContact CG2-CB 4.23Å |
| 211 | N | 98.4 | Very high | 97.1 | Very high | 46 Ų | 46 | 43 Ų | 43 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.7 | 176.9 | -176.9 | 6.5 | 0 | 0 | 0 | 110.3 | A213 L289 D290 | N211-A213 VanDerWaalsContact C-N 3.31Å; N211-A213 WeakPolarHBondContact OD1-CA 3.45Å; N211-A213 PolarHBondContact OD1-N 2.96Å; N211-L289 HydrophobicContact CB-CB 4.28Å; N211-L289 PolarHBondContact N-O 3.11Å; N211-L289 PolarHBondContact O-N 3.21Å; N211-D290 HydrophobicContact CB-CB 3.89Å; N211-D290 WeakPolarHBondContact CB-OD2 3.41Å; N211-D290 PolarHBondContact ND2-OD2 3.3Å |
| 212 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -84.2 | -6.6 | 176.9 | -57.9 | 176.2 | 0 | 0 | 0 | 112.8 | C214 L216 I251 G255 M257 A276 V279 A286 R287 | L212-C214 PolarHBondContact O-N 3.48Å; L212-C214 VanDerWaalsContact O-N 3.14Å; L212-L216 HydrophobicContact CD1-CD1 3.8Å; L212-I251 HydrophobicContact CD1-CG2 4.41Å; L212-G255 VanDerWaalsContact CB-O 3.24Å; L212-G255 WeakPolarHBondContact CB-O 3.44Å; L212-G255 WeakPolarHBondContact CG-O 3.39Å; L212-G255 PolarHBondContact N-O 3.22Å; L212-M257 HydrophobicContact CD1-CB 4.25Å; L212-M257 HydrophobicContact CD1-SD 4.38Å; L212-M257 HydrophobicContact CD2-CE 4.05Å; L212-M257 HydrophobicContact CG-CB 4.43Å; L212-A276 HydrophobicContact CD2-CB 3.64Å; L212-V279 HydrophobicContact CD1-CG1 4.49Å; L212-V279 HydrophobicContact CD1-CG2 4.3Å; L212-A286 HydrophobicContact CB-CB 4.16Å; L212-A286 HydrophobicContact CD2-CB 4.45Å; L212-A286 WeakPolarHBondContact O-CA 3.48Å; L212-R287 WeakPolarHBondContact CA-O 3.5Å; L212-R287 WeakPolarHBondContact CD2-O 3.41Å; L212-R287 PolarHBondContact O-N 3.18Å | ||
| 213 | A | 96.6 | Very high | 97 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 41% | 0.405 | 24% | 0.237 | S | C | . | . | trans | 58.2 | 22.4 | 172 | 0 | 0 | 0 | 0 | 0 | 116.3 | N211 R287 L289 | N211-A213 VanDerWaalsContact C-N 3.31Å; N211-A213 WeakPolarHBondContact OD1-CA 3.45Å; N211-A213 PolarHBondContact OD1-N 2.96Å; A213-R287 HydrophobicContact CB-CB 4.13Å; A213-R287 HydrophobicContact CB-CG 4.44Å; A213-L289 HydrophobicContact CB-CD1 3.8Å; A213-L289 HydrophobicContact CB-CG 4.45Å | ||
| 214 | C | 96.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -146.8 | 150.6 | 174.8 | 61 | 0 | 0 | 0 | 0 | 111.1 | L212 L216 G255 P285 | L212-C214 PolarHBondContact O-N 3.48Å; L212-C214 VanDerWaalsContact O-N 3.14Å; C214-L216 VanDerWaalsContact SG-CD2 3.59Å; C214-G255 VanDerWaalsContact O-CA 3.22Å; C214-G255 WeakPolarHBondContact O-CA 3.09Å; C214-P285 HydrophobicContact CB-CG 4.02Å |
| 215 | K | 97.1 | Very high | 96.6 | Very high | 168 Ų | 168 | 48 Ų | 48 | 73% | 0.73 | 25% | 0.249 | S | C | * | . | trans | -68.5 | 141.2 | 168.6 | -67.3 | -67 | -170.5 | 173.9 | 0 | 109.9 | S253 | K215-S253 WeakPolarHBondContact CA-O 3.43Å; K215-S253 WeakPolarHBondContact CD-O 3.41Å | ||
| 216 | L | 96.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | trans | -124.1 | 129.4 | -174.2 | -64.5 | 178.5 | 0 | 0 | 0 | 111.3 | L212 C214 L218 I221 I251 S253 V279 F284 | L212-L216 HydrophobicContact CD1-CD1 3.8Å; C214-L216 VanDerWaalsContact SG-CD2 3.59Å; L216-L218 HydrophobicContact CB-CD2 4.26Å; L216-L218 PolarHBondContact O-N 3.07Å; L216-I221 HydrophobicContact CB-CD1 3.92Å; L216-I221 HydrophobicContact CD1-CD1 4.04Å; L216-I221 HydrophobicContact CD2-CD1 4.3Å; L216-I221 HydrophobicContact CG-CD1 4.31Å; L216-I251 HydrophobicContact CD1-CG2 3.52Å; L216-S253 PolarHBondContact N-O 2.84Å; L216-S253 VanDerWaalsContact N-O 3.07Å; L216-V279 HydrophobicContact CD1-CG1 4.21Å; L216-V279 HydrophobicContact CD2-CG1 3.73Å; L216-F284 HydrophobicContact CD2-CB 3.76Å; L216-F284 HydrophobicContact CD2-CD1 3.6Å; L216-F284 HydrophobicContact CD2-CD2 4.27Å; L216-F284 HydrophobicContact CD2-CE1 4.23Å; L216-F284 HydrophobicContact CD2-CG 3.62Å | ||
| 217 | D | 97.1 | Very high | 95.8 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | trans | -80.1 | 103.6 | 165.8 | 175.3 | 20 | 0 | 0 | 0 | 109.6 | K219 K220 I221 F284 | D217-K219 VanDerWaalsContact C-N 3.25Å; D217-K219 PolarHBondContact O-N 3.07Å; D217-K219 WeakPolarHBondContact OD1-CB 3.49Å; D217-K219 PolarHBondContact OD1-N 3.22Å; D217-K220 HydrophobicContact CB-CB 4.12Å; D217-K220 PolarHBondContact O-N 3.08Å; D217-K220 WeakPolarHBondContact OD2-CB 3.45Å; D217-K220 PolarHBondContact OD2-N 2.83Å; D217-K220 VanDerWaalsContact OD2-N 3.14Å; D217-I221 WeakPolarHBondContact O-CG1 3.3Å; D217-I221 PolarHBondContact O-N 2.75Å; D217-F284 HydrophobicContact CB-CE1 4.39Å; D217-F284 HydrophobicContact CB-CZ 4.34Å | ||
| 218 | L | 96.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.7 | -29.6 | 179.3 | -60 | -166.2 | 0 | 0 | 0 | 112.8 | L216 I221 A222 Y230 V238 I251 | L216-L218 HydrophobicContact CB-CD2 4.26Å; L216-L218 PolarHBondContact O-N 3.07Å; L218-I221 HydrophobicContact CD2-CD1 4.47Å; L218-A222 WeakPolarHBondContact O-CB 3.49Å; L218-A222 PolarHBondContact O-N 2.97Å; L218-Y230 HydrophobicContact CB-CD1 4.32Å; L218-Y230 HydrophobicContact CB-CD2 4.31Å; L218-Y230 HydrophobicContact CB-CE1 3.8Å; L218-Y230 HydrophobicContact CB-CE2 3.8Å; L218-Y230 HydrophobicContact CD1-CD2 4.47Å; L218-Y230 HydrophobicContact CD1-CE2 3.66Å; L218-Y230 HydrophobicContact CG-CE2 4.4Å; L218-V238 HydrophobicContact CB-CG2 3.65Å; L218-V238 HydrophobicContact CD1-CG2 4.4Å; L218-V238 HydrophobicContact CD2-CG2 3.86Å; L218-V238 HydrophobicContact CG-CG2 4.14Å; L218-V238 WeakPolarHBondContact O-CG2 3.47Å; L218-I251 HydrophobicContact CD2-CG2 4.44Å; L218-I251 WeakPolarHBondContact CD2-O 3.24Å |
| 219 | K | 96 | Very high | 95.5 | Very high | 148 Ų | 148 | 64.7 Ų | 64.7 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.6 | -49.9 | 176.1 | -63.9 | 179.6 | 179.5 | 179.3 | 0 | 110.5 | D217 I221 A222 L223 Y230 | D217-K219 VanDerWaalsContact C-N 3.25Å; D217-K219 PolarHBondContact O-N 3.07Å; D217-K219 WeakPolarHBondContact OD1-CB 3.49Å; D217-K219 PolarHBondContact OD1-N 3.22Å; K219-I221 VanDerWaalsContact C-N 3.3Å; K219-I221 PolarHBondContact O-N 3.46Å; K219-A222 PolarHBondContact O-N 3.45Å; K219-L223 WeakPolarHBondContact O-CB 3.38Å; K219-L223 PolarHBondContact O-N 3.03Å; K219-Y230 HydrophobicContact CG-CE1 3.91Å |
| 220 | K | 95.7 | Very high | 95.5 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 39% | 0.391 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 175.1 | -179.4 | 177.7 | 178.8 | -173 | 0 | 112.1 | D217 H224 F284 | D217-K220 HydrophobicContact CB-CB 4.12Å; D217-K220 PolarHBondContact O-N 3.08Å; D217-K220 WeakPolarHBondContact OD2-CB 3.45Å; D217-K220 PolarHBondContact OD2-N 2.83Å; D217-K220 VanDerWaalsContact OD2-N 3.14Å; K220-H224 PolarHBondContact O-N 2.97Å; K220-H224 PolarHBondContact O-ND1 2.99Å; K220-F284 HydrophobicContact CB-CZ 4.26Å; K220-F284 HydrophobicContact CD-CE2 4.42Å; K220-F284 HydrophobicContact CD-CZ 3.95Å; K220-F284 HydrophobicContact CG-CZ 4.21Å |
| 221 | I | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.1 | -53.9 | 174.4 | -68 | 173.3 | 0 | 0 | 0 | 110.5 | L216 D217 L218 K219 L223 H224 A225 V238 M240 I251 L282 F284 | L216-I221 HydrophobicContact CB-CD1 3.92Å; L216-I221 HydrophobicContact CD1-CD1 4.04Å; L216-I221 HydrophobicContact CD2-CD1 4.3Å; L216-I221 HydrophobicContact CG-CD1 4.31Å; D217-I221 WeakPolarHBondContact O-CG1 3.3Å; D217-I221 PolarHBondContact O-N 2.75Å; L218-I221 HydrophobicContact CD2-CD1 4.47Å; K219-I221 VanDerWaalsContact C-N 3.3Å; K219-I221 PolarHBondContact O-N 3.46Å; I221-L223 VanDerWaalsContact C-N 3.29Å; I221-L223 PolarHBondContact O-N 2.9Å; I221-H224 PolarHBondContact O-N 3.35Å; I221-A225 HydrophobicContact CG2-CB 4.28Å; I221-A225 WeakPolarHBondContact O-CB 3.46Å; I221-A225 PolarHBondContact O-N 3.14Å; I221-V238 HydrophobicContact CB-CG2 4.48Å; I221-V238 HydrophobicContact CG2-CG1 4.18Å; I221-V238 HydrophobicContact CG2-CG2 4.37Å; I221-M240 HydrophobicContact CG2-CE 3.72Å; I221-I251 HydrophobicContact CD1-CG2 4.43Å; I221-L282 HydrophobicContact CB-CD1 4.43Å; I221-L282 HydrophobicContact CG1-CD1 4.28Å; I221-L282 HydrophobicContact CG2-CD1 4.18Å; I221-F284 HydrophobicContact CD1-CE2 4.1Å; I221-F284 HydrophobicContact CD1-CZ 4.41Å; I221-F284 HydrophobicContact CG1-CD2 4.24Å; I221-F284 HydrophobicContact CG1-CE2 3.47Å; I221-F284 VanDerWaalsContact CG1-CE2 3.47Å; I221-F284 HydrophobicContact CG1-CZ 3.91Å |
| 222 | A | 95 | Very high | 95.1 | Very high | 27 Ų | 27 | 71.6 Ų | 71.6 | 22% | 0.223 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -34.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L218 K219 Y230 | L218-A222 WeakPolarHBondContact O-CB 3.49Å; L218-A222 PolarHBondContact O-N 2.97Å; K219-A222 PolarHBondContact O-N 3.45Å; A222-Y230 HydrophobicContact CB-CD1 4.34Å; A222-Y230 HydrophobicContact CB-CG 4.34Å |
| 223 | L | 94.8 | Very high | 95 | Very high | 143 Ų | 143 | 81.5 Ų | 81.5 | 75% | 0.749 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.2 | -28.4 | 179.2 | -176.5 | 61.8 | 0 | 0 | 0 | 113.9 | K219 I221 | K219-L223 WeakPolarHBondContact O-CB 3.38Å; K219-L223 PolarHBondContact O-N 3.03Å; I221-L223 VanDerWaalsContact C-N 3.29Å; I221-L223 PolarHBondContact O-N 2.9Å |
| 224 | H | 93.6 | Very high | 94.9 | Very high | 111 Ų | 111 | 88.2 Ų | 88.2 | 51% | 0.514 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -113 | -18.9 | -172.9 | -61.4 | 84.2 | 0 | 0 | 0 | 114.1 | K220 I221 L282 | K220-H224 PolarHBondContact O-N 2.97Å; K220-H224 PolarHBondContact O-ND1 2.99Å; I221-H224 PolarHBondContact O-N 3.35Å; H224-L282 HydrophobicContact CB-CD2 3.62Å |
| 225 | A | 91.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 91.2 Ų | 91.2 | 11% | 0.107 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -83.7 | 131 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I221 A228 M240 L282 | I221-A225 HydrophobicContact CG2-CB 4.28Å; I221-A225 WeakPolarHBondContact O-CB 3.46Å; I221-A225 PolarHBondContact O-N 3.14Å; A225-A228 HydrophobicContact CB-CB 3.66Å; A225-M240 HydrophobicContact CB-CE 3.62Å; A225-L282 HydrophobicContact CB-CD1 4.15Å |
| 226 | K | 87.7 | Confident | 94.8 | Very high | 185 Ų | 185 | 86.5 Ų | 86.5 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 138.7 | 170.1 | -59.9 | -173.9 | 179.7 | -172.6 | 0 | 109.4 | ||
| 227 | N | 91.3 | Very high | 94.8 | Very high | 110 Ų | 110 | 86.1 Ų | 86.1 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 45.9 | -178.5 | -42.7 | -37.1 | 0 | 0 | 0 | 113.1 | M240 R241 | N227-M240 WeakPolarHBondContact O-CA 3.21Å; N227-R241 PolarHBondContact O-N 3.4Å |
| 228 | A | 95.4 | Very high | 94.9 | Very high | 22 Ų | 22 | 82.4 Ų | 82.4 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A225 V238 I239 M240 | A225-A228 HydrophobicContact CB-CB 3.66Å; A228-V238 HydrophobicContact CB-CG1 3.92Å; A228-I239 CarbonylContact C-O 3.59Å; A228-I239 VanDerWaalsContact CA-O 3.3Å; A228-I239 WeakPolarHBondContact CA-O 3.43Å; A228-M240 HydrophobicContact CB-CE 4.39Å; A228-M240 HydrophobicContact CB-CG 4.41Å |
| 229 | E | 96.2 | Very high | 94.9 | Very high | 91 Ų | 91 | 83.3 Ų | 83.3 | 43% | 0.425 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.4 | 179.1 | -56.3 | 155.3 | -130.3 | 0 | 0 | 108.2 | I239 R241 | E229-I239 HydrophobicContact CB-CB 4.26Å; E229-I239 PolarHBondContact N-O 2.86Å; E229-I239 PolarHBondContact O-N 3.29Å; E229-R241 IonicContact OE1-CZ 3.54Å; E229-R241 IonicContact OE1-NE 2.75Å; E229-R241 PolarHBondContact OE1-NE 2.92Å; E229-R241 IonicContact OE1-NH2 2.57Å; E229-R241 PolarHBondContact OE1-NH2 3.42Å; E229-R241 VanDerWaalsContact OE1-NH2 3.08Å; E229-R241 IonicContact OE2-NH2 3.08Å; E229-R241 PolarHBondContact OE2-NH2 3.1Å |
| 230 | Y | 97.4 | Very high | 95 | Very high | 70 Ų | 70 | 76.4 Ų | 76.4 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | trans | -147.1 | 117.5 | 176.6 | -178.3 | -127.7 | 0 | 0 | 0 | 111.6 | L218 K219 A222 P232 A237 V238 | L218-Y230 HydrophobicContact CB-CD1 4.32Å; L218-Y230 HydrophobicContact CB-CD2 4.31Å; L218-Y230 HydrophobicContact CB-CE1 3.8Å; L218-Y230 HydrophobicContact CB-CE2 3.8Å; L218-Y230 HydrophobicContact CD1-CD2 4.47Å; L218-Y230 HydrophobicContact CD1-CE2 3.66Å; L218-Y230 HydrophobicContact CG-CE2 4.4Å; K219-Y230 HydrophobicContact CG-CE1 3.91Å; A222-Y230 HydrophobicContact CB-CD1 4.34Å; A222-Y230 HydrophobicContact CB-CG 4.34Å; Y230-P232 HydrophobicContact CE1-CB 4.44Å; Y230-P232 HydrophobicContact CE1-CG 4.16Å; Y230-P232 HydrophobicContact CE2-CB 4.22Å; Y230-A237 WeakPolarHBondContact CD2-O 3.49Å; Y230-V238 HydrophobicContact CD2-CG2 3.94Å; Y230-V238 HydrophobicContact CG-CG2 4.03Å | ||
| 231 | N | 95.3 | Very high | 95.1 | Very high | 87 Ų | 87 | 77 Ų | 77 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | trans | -134.5 | 97 | 172.5 | 178.7 | -4.3 | 0 | 0 | 0 | 108.9 | K233 R234 F235 | N231-K233 PolarHBondContact O-N 3.48Å; N231-K233 VanDerWaalsContact O-N 3.13Å; N231-K233 WeakPolarHBondContact OD1-CB 3.24Å; N231-K233 PolarHBondContact OD1-N 2.86Å; N231-K233 VanDerWaalsContact OD1-N 3.1Å; N231-R234 HydrophobicContact CB-CB 4.18Å; N231-R234 PolarHBondContact O-N 2.86Å; N231-F235 PolarHBondContact O-N 2.84Å | ||
| 232 | P | 93.4 | Very high | 95.1 | Very high | 77 Ų | 77 | 78.8 Ų | 78.8 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.6 | -176.5 | 25.3 | -33.6 | 0 | 0 | 0 | 114.4 | Y230 | Y230-P232 HydrophobicContact CE1-CB 4.44Å; Y230-P232 HydrophobicContact CE1-CG 4.16Å; Y230-P232 HydrophobicContact CE2-CB 4.22Å |
| 233 | K | 95.7 | Very high | 95.1 | Very high | 208 Ų | 208 | 88.4 Ų | 88.4 | 90% | 0.904 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -24.8 | 170.1 | -64.8 | -172.8 | 175.2 | -173.2 | 0 | 112.6 | N231 | N231-K233 PolarHBondContact O-N 3.48Å; N231-K233 VanDerWaalsContact O-N 3.13Å; N231-K233 WeakPolarHBondContact OD1-CB 3.24Å; N231-K233 PolarHBondContact OD1-N 2.86Å; N231-K233 VanDerWaalsContact OD1-N 3.1Å |
| 234 | R | 95.4 | Very high | 95 | Very high | 191 Ų | 191 | 88.1 Ų | 88.1 | 72% | 0.721 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -42.9 | 178.5 | -174.2 | -175.7 | -179 | -77.9 | -2.3 | 112.1 | N231 | N231-R234 HydrophobicContact CB-CB 4.18Å; N231-R234 PolarHBondContact O-N 2.86Å |
| 235 | F | 95.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 83.6 Ų | 83.6 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | trans | -158 | 139.2 | -176.5 | -163.4 | -124 | 0 | 0 | 0 | 112.5 | N231 A237 L250 F252 | N231-F235 PolarHBondContact O-N 2.84Å; F235-A237 HydrophobicContact CD1-CB 3.79Å; F235-A237 HydrophobicContact CE1-CB 3.65Å; F235-A237 PolarHBondContact O-N 2.98Å; F235-A237 VanDerWaalsContact O-N 3.1Å; F235-L250 HydrophobicContact CE1-CD1 4.28Å; F235-L250 HydrophobicContact CE1-CD2 4.48Å; F235-F252 HydrophobicContact CE1-CZ 4.44Å; F235-F252 HydrophobicContact CZ-CE1 4.31Å; F235-F252 HydrophobicContact CZ-CZ 4.23Å | ||
| 236 | A | 94.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 93.3 Ų | 93.3 | 57% | 0.57 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -83.8 | 27.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 237 | A | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 84.8 Ų | 84.8 | 1% | 0.008 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 153.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y230 F235 I251 F252 | Y230-A237 WeakPolarHBondContact CD2-O 3.49Å; F235-A237 HydrophobicContact CD1-CB 3.79Å; F235-A237 HydrophobicContact CE1-CB 3.65Å; F235-A237 PolarHBondContact O-N 2.98Å; F235-A237 VanDerWaalsContact O-N 3.1Å; A237-I251 CarbonylContact C-O 3.55Å; A237-I251 VanDerWaalsContact CA-O 3.32Å; A237-I251 WeakPolarHBondContact CA-O 3.5Å; A237-I251 WeakPolarHBondContact CB-O 3.47Å; A237-F252 HydrophobicContact CB-CD1 3.82Å; A237-F252 HydrophobicContact CB-CD2 4.43Å; A237-F252 HydrophobicContact CB-CE1 3.84Å; A237-F252 HydrophobicContact CB-CE2 4.43Å; A237-F252 HydrophobicContact CB-CG 4.13Å; A237-F252 HydrophobicContact CB-CZ 4.16Å |
| 238 | V | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 127.9 | 169.2 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | L218 I221 A228 Y230 L250 I251 | L218-V238 HydrophobicContact CB-CG2 3.65Å; L218-V238 HydrophobicContact CD1-CG2 4.4Å; L218-V238 HydrophobicContact CD2-CG2 3.86Å; L218-V238 HydrophobicContact CG-CG2 4.14Å; L218-V238 WeakPolarHBondContact O-CG2 3.47Å; I221-V238 HydrophobicContact CB-CG2 4.48Å; I221-V238 HydrophobicContact CG2-CG1 4.18Å; I221-V238 HydrophobicContact CG2-CG2 4.37Å; A228-V238 HydrophobicContact CB-CG1 3.92Å; Y230-V238 HydrophobicContact CD2-CG2 3.94Å; Y230-V238 HydrophobicContact CG-CG2 4.03Å; V238-L250 WeakPolarHBondContact O-CA 3.16Å; V238-I251 HydrophobicContact CB-CB 4.39Å; V238-I251 PolarHBondContact N-O 2.85Å; V238-I251 PolarHBondContact O-N 2.93Å |
| 239 | I | 97.9 | Very high | 96.3 | Very high | 25 Ų | 25 | 79.8 Ų | 79.8 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120 | 169.6 | -56.9 | 164.6 | 0 | 0 | 0 | 106.8 | A228 E229 R241 T248 A249 L250 | A228-I239 CarbonylContact C-O 3.59Å; A228-I239 VanDerWaalsContact CA-O 3.3Å; A228-I239 WeakPolarHBondContact CA-O 3.43Å; E229-I239 HydrophobicContact CB-CB 4.26Å; E229-I239 PolarHBondContact N-O 2.86Å; E229-I239 PolarHBondContact O-N 3.29Å; I239-R241 HydrophobicContact CG2-CG 4.49Å; I239-T248 HydrophobicContact CG2-CG2 3.59Å; I239-A249 WeakPolarHBondContact CA-O 3.42Å; I239-L250 HydrophobicContact CB-CD2 4.4Å; I239-L250 HydrophobicContact CG1-CD2 3.79Å; I239-L250 HydrophobicContact CG2-CD2 4.38Å |
| 240 | M | 97.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.2 | 178.3 | -167.8 | -178 | -64.3 | 0 | 0 | 110.1 | I221 A225 N227 A228 T248 A249 I251 Y275 V278 | I221-M240 HydrophobicContact CG2-CE 3.72Å; A225-M240 HydrophobicContact CB-CE 3.62Å; N227-M240 WeakPolarHBondContact O-CA 3.21Å; A228-M240 HydrophobicContact CB-CE 4.39Å; A228-M240 HydrophobicContact CB-CG 4.41Å; M240-T248 CarbonylContact O-C 3.52Å; M240-T248 WeakPolarHBondContact O-CA 3.38Å; M240-A249 PolarHBondContact N-O 2.86Å; M240-A249 PolarHBondContact O-N 2.87Å; M240-I251 HydrophobicContact CB-CD1 4.39Å; M240-I251 HydrophobicContact CE-CD1 3.83Å; M240-I251 HydrophobicContact SD-CD1 4.43Å; M240-Y275 HydrophobicContact CB-CD1 4.26Å; M240-Y275 HydrophobicContact CB-CE1 4Å; M240-Y275 HydrophobicContact CG-CD1 4.12Å; M240-Y275 HydrophobicContact CG-CE1 3.93Å; M240-Y275 PolarHBondContact O-OH 2.57Å; M240-Y275 HydrophobicContact SD-CD1 3.82Å; M240-Y275 HydrophobicContact SD-CE1 4.23Å; M240-V278 HydrophobicContact CE-CG1 4.24Å; M240-V278 HydrophobicContact SD-CB 4.39Å; M240-V278 HydrophobicContact SD-CG1 3.91Å |
| 241 | R | 97.6 | Very high | 96.4 | Very high | 103 Ų | 103 | 73.6 Ų | 73.6 | 39% | 0.389 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135 | -174.7 | -51 | -173.9 | -162.2 | -100.3 | 10.2 | 112.6 | N227 E229 I239 T248 | N227-R241 PolarHBondContact O-N 3.4Å; E229-R241 IonicContact OE1-CZ 3.54Å; E229-R241 IonicContact OE1-NE 2.75Å; E229-R241 PolarHBondContact OE1-NE 2.92Å; E229-R241 IonicContact OE1-NH2 2.57Å; E229-R241 PolarHBondContact OE1-NH2 3.42Å; E229-R241 VanDerWaalsContact OE1-NH2 3.08Å; E229-R241 IonicContact OE2-NH2 3.08Å; E229-R241 PolarHBondContact OE2-NH2 3.1Å; I239-R241 HydrophobicContact CG2-CG 4.49Å; R241-T248 HydrophobicContact CG-CG2 4.14Å; R241-T248 PolarHBondContact NH1-OG1 3.36Å; R241-T248 VanDerWaalsContact NH1-OG1 3.14Å |
| 242 | I | 96.4 | Very high | 96.5 | Very high | 37 Ų | 37 | 72.2 Ų | 72.2 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 148.5 | 172.2 | 71.1 | -175.1 | 0 | 0 | 0 | 111 | R246 T247 K274 Y275 | I242-R246 WeakPolarHBondContact O-CA 3.44Å; I242-T247 VanDerWaalsContact CG1-OG1 3.31Å; I242-T247 WeakPolarHBondContact CG1-OG1 3.49Å; I242-T247 PolarHBondContact N-O 3.28Å; I242-T247 PolarHBondContact O-N 2.82Å; I242-T247 VanDerWaalsContact O-N 3.15Å; I242-K274 HydrophobicContact CD1-CB 3.89Å; I242-K274 HydrophobicContact CD1-CD 3.98Å; I242-Y275 HydrophobicContact CD1-CE2 3.99Å; I242-Y275 HydrophobicContact CG1-CE1 4.47Å; I242-Y275 HydrophobicContact CG1-CE2 4.25Å; I242-Y275 HydrophobicContact CG2-CD1 4.39Å; I242-Y275 HydrophobicContact CG2-CE1 3.76Å; I242-Y275 PolarHBondContact N-OH 3.04Å |
| 243 | R | 94.9 | Very high | 96.7 | Very high | 229 Ų | 229 | 71.7 Ų | 71.7 | 86% | 0.864 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -25.3 | -178.4 | -67.6 | -175.7 | 179 | 179.3 | -1.3 | 113.7 | P245 R246 | R243-P245 CarbonylContact O-C 3.59Å; R243-R246 WeakPolarHBondContact O-CA 3.5Å; R243-R246 PolarHBondContact O-N 2.8Å; R243-R246 VanDerWaalsContact O-N 3.17Å |
| 244 | E | 93.4 | Very high | 96.8 | Very high | 137 Ų | 137 | 64.2 Ų | 64.2 | 64% | 0.64 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.5 | 114.5 | -172.1 | -171.5 | -158.9 | -121.5 | 0 | 0 | 112.2 | K274 | E244-K274 WeakPolarHBondContact O-CD 3.39Å; E244-K274 PolarHBondContact O-NZ 2.97Å; E244-K274 IonicContact OE2-NZ 2.97Å; E244-K274 PolarHBondContact OE2-NZ 2.89Å |
| 245 | P | 94.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -60.4 | 148.7 | -18.6 | 30.7 | -36 | 0 | 0 | 0 | 109.8 | R243 T247 Q267 A271 | R243-P245 CarbonylContact O-C 3.59Å; P245-T247 HydrophobicContact CB-CG2 4.31Å; P245-T247 HydrophobicContact CG-CG2 4.03Å; P245-T247 PolarHBondContact O-N 2.93Å; P245-T247 PolarHBondContact O-OG1 2.83Å; P245-Q267 HydrophobicContact CB-CB 4.22Å; P245-Q267 HydrophobicContact CB-CG 4.38Å; P245-Q267 HydrophobicContact CG-CB 4.22Å; P245-A271 HydrophobicContact CG-CB 3.84Å |
| 246 | R | 96.7 | Very high | 97 | Very high | 217 Ų | 217 | 58 Ų | 58 | 82% | 0.819 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 99.4 | -176.7 | -178.4 | 179.8 | 175.2 | 177 | -2.3 | 109.7 | I242 R243 | I242-R246 WeakPolarHBondContact O-CA 3.44Å; R243-R246 WeakPolarHBondContact O-CA 3.5Å; R243-R246 PolarHBondContact O-N 2.8Å; R243-R246 VanDerWaalsContact O-N 3.17Å |
| 247 | T | 97.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 164.4 | -169.7 | 49.7 | 0 | 0 | 0 | 0 | 110.9 | I242 P245 T260 A262 A271 Y275 | I242-T247 VanDerWaalsContact CG1-OG1 3.31Å; I242-T247 WeakPolarHBondContact CG1-OG1 3.49Å; I242-T247 PolarHBondContact N-O 3.28Å; I242-T247 PolarHBondContact O-N 2.82Å; I242-T247 VanDerWaalsContact O-N 3.15Å; P245-T247 HydrophobicContact CB-CG2 4.31Å; P245-T247 HydrophobicContact CG-CG2 4.03Å; P245-T247 PolarHBondContact O-N 2.93Å; P245-T247 PolarHBondContact O-OG1 2.83Å; T247-T260 VanDerWaalsContact CA-O 3.24Å; T247-T260 WeakPolarHBondContact CA-O 3.16Å; T247-T260 WeakPolarHBondContact CB-O 3.32Å; T247-T260 WeakPolarHBondContact CG2-O 3.43Å; T247-A262 HydrophobicContact CG2-CB 4.02Å; T247-A271 HydrophobicContact CG2-CB 3.86Å; T247-Y275 VanDerWaalsContact C-OH 3.23Å; T247-Y275 PolarHBondContact O-OH 2.9Å; T247-Y275 PolarHBondContact OG1-OH 2.96Å |
| 248 | T | 97.9 | Very high | 97.2 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.4 | 168.8 | -62.2 | 0 | 0 | 0 | 0 | 108.9 | I239 M240 R241 C259 T260 Y275 | I239-T248 HydrophobicContact CG2-CG2 3.59Å; M240-T248 CarbonylContact O-C 3.52Å; M240-T248 WeakPolarHBondContact O-CA 3.38Å; R241-T248 HydrophobicContact CG-CG2 4.14Å; R241-T248 PolarHBondContact NH1-OG1 3.36Å; R241-T248 VanDerWaalsContact NH1-OG1 3.14Å; T248-C259 WeakPolarHBondContact O-CA 3.19Å; T248-T260 PolarHBondContact N-O 2.73Å; T248-T260 PolarHBondContact O-N 2.99Å; T248-Y275 WeakPolarHBondContact CA-OH 3.44Å |
| 249 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I239 M240 M257 V258 Y275 | I239-A249 WeakPolarHBondContact CA-O 3.42Å; M240-A249 PolarHBondContact N-O 2.86Å; M240-A249 PolarHBondContact O-N 2.87Å; A249-M257 HydrophobicContact CB-CG 4.12Å; A249-M257 HydrophobicContact CB-SD 3.94Å; A249-V258 CarbonylContact C-O 3.57Å; A249-V258 WeakPolarHBondContact CA-O 3.44Å; A249-V258 WeakPolarHBondContact CB-O 3.47Å; A249-Y275 HydrophobicContact CB-CD1 3.69Å; A249-Y275 HydrophobicContact CB-CD2 3.64Å; A249-Y275 HydrophobicContact CB-CE1 3.67Å; A249-Y275 HydrophobicContact CB-CE2 3.65Å; A249-Y275 HydrophobicContact CB-CG 3.69Å |
| 250 | L | 98.1 | Very high | 97.2 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 113.1 | 171.9 | -51.7 | 178.4 | 0 | 0 | 0 | 107.8 | F235 V238 I239 F252 M257 V258 | F235-L250 HydrophobicContact CE1-CD1 4.28Å; F235-L250 HydrophobicContact CE1-CD2 4.48Å; V238-L250 WeakPolarHBondContact O-CA 3.16Å; I239-L250 HydrophobicContact CB-CD2 4.4Å; I239-L250 HydrophobicContact CG1-CD2 3.79Å; I239-L250 HydrophobicContact CG2-CD2 4.38Å; L250-F252 HydrophobicContact CB-CE2 4.11Å; L250-M257 VanDerWaalsContact O-CA 3.27Å; L250-M257 WeakPolarHBondContact O-CA 3.41Å; L250-V258 HydrophobicContact CB-CB 4.25Å; L250-V258 PolarHBondContact N-O 2.76Å; L250-V258 PolarHBondContact O-N 2.91Å |
| 251 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.2 | -174.1 | -56.3 | 175 | 0 | 0 | 0 | 109.6 | L212 L216 L218 I221 A237 V238 M240 M257 V279 | L212-I251 HydrophobicContact CD1-CG2 4.41Å; L216-I251 HydrophobicContact CD1-CG2 3.52Å; L218-I251 HydrophobicContact CD2-CG2 4.44Å; L218-I251 WeakPolarHBondContact CD2-O 3.24Å; I221-I251 HydrophobicContact CD1-CG2 4.43Å; A237-I251 CarbonylContact C-O 3.55Å; A237-I251 VanDerWaalsContact CA-O 3.32Å; A237-I251 WeakPolarHBondContact CA-O 3.5Å; A237-I251 WeakPolarHBondContact CB-O 3.47Å; V238-I251 HydrophobicContact CB-CB 4.39Å; V238-I251 PolarHBondContact N-O 2.85Å; V238-I251 PolarHBondContact O-N 2.93Å; M240-I251 HydrophobicContact CB-CD1 4.39Å; M240-I251 HydrophobicContact CE-CD1 3.83Å; M240-I251 HydrophobicContact SD-CD1 4.43Å; I251-M257 HydrophobicContact CD1-SD 4.09Å; I251-M257 HydrophobicContact CG1-CG 3.95Å; I251-M257 HydrophobicContact CG1-SD 3.72Å; I251-V279 HydrophobicContact CD1-CG2 4.04Å |
| 252 | F | 98.1 | Very high | 97.1 | Very high | 58 Ų | 58 | 53.5 Ų | 53.5 | 25% | 0.254 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 151.6 | -179 | -63.1 | -93.7 | 0 | 0 | 0 | 111.4 | F235 A237 L250 S254 G255 K256 V258 | F235-F252 HydrophobicContact CE1-CZ 4.44Å; F235-F252 HydrophobicContact CZ-CE1 4.31Å; F235-F252 HydrophobicContact CZ-CZ 4.23Å; A237-F252 HydrophobicContact CB-CD1 3.82Å; A237-F252 HydrophobicContact CB-CD2 4.43Å; A237-F252 HydrophobicContact CB-CE1 3.84Å; A237-F252 HydrophobicContact CB-CE2 4.43Å; A237-F252 HydrophobicContact CB-CG 4.13Å; A237-F252 HydrophobicContact CB-CZ 4.16Å; L250-F252 HydrophobicContact CB-CE2 4.11Å; F252-S254 WeakPolarHBondContact CB-OG 3.33Å; F252-S254 PolarHBondContact O-N 3.38Å; F252-G255 PolarHBondContact O-N 2.7Å; F252-K256 HydrophobicContact CD2-CB 4.47Å; F252-K256 WeakPolarHBondContact CD2-O 3.5Å; F252-K256 PolarHBondContact N-O 3.32Å; F252-V258 HydrophobicContact CE2-CG2 4.08Å |
| 253 | S | 97.5 | Very high | 97 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.3 | 178.5 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | K215 L216 G255 | K215-S253 WeakPolarHBondContact CA-O 3.43Å; K215-S253 WeakPolarHBondContact CD-O 3.41Å; L216-S253 PolarHBondContact N-O 2.84Å; L216-S253 VanDerWaalsContact N-O 3.07Å; S253-G255 VanDerWaalsContact C-N 3.28Å; S253-G255 PolarHBondContact O-N 3.5Å |
| 254 | S | 97.4 | Very high | 97.1 | Very high | 52 Ų | 52 | 47 Ų | 47 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.4 | 172.8 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | F252 K256 | F252-S254 WeakPolarHBondContact CB-OG 3.33Å; F252-S254 PolarHBondContact O-N 3.38Å; S254-K256 PolarHBondContact OG-N 2.92Å |
| 255 | G | 96.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 88.4 | -5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L212 C214 F252 S253 | L212-G255 VanDerWaalsContact CB-O 3.24Å; L212-G255 WeakPolarHBondContact CB-O 3.44Å; L212-G255 WeakPolarHBondContact CG-O 3.39Å; L212-G255 PolarHBondContact N-O 3.22Å; C214-G255 VanDerWaalsContact O-CA 3.22Å; C214-G255 WeakPolarHBondContact O-CA 3.09Å; F252-G255 PolarHBondContact O-N 2.7Å; S253-G255 VanDerWaalsContact C-N 3.28Å; S253-G255 PolarHBondContact O-N 3.5Å |
| 256 | K | 98 | Very high | 97.4 | Very high | 142 Ų | 142 | 47.8 Ų | 47.8 | 62% | 0.617 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 141.6 | 166.1 | -68.9 | -171.9 | 176.5 | -175.8 | 0 | 109.6 | F252 S254 | F252-K256 HydrophobicContact CD2-CB 4.47Å; F252-K256 WeakPolarHBondContact CD2-O 3.5Å; F252-K256 PolarHBondContact N-O 3.32Å; S254-K256 PolarHBondContact OG-N 2.92Å |
| 257 | M | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133.7 | 173.3 | 178.3 | 170.8 | 67 | 0 | 0 | 110.5 | T209 V210 L212 A249 L250 I251 A272 Y275 | T209-M257 CarbonylContact C-O 3.52Å; T209-M257 WeakPolarHBondContact CA-O 3.33Å; V210-M257 HydrophobicContact CG1-CB 3.92Å; V210-M257 HydrophobicContact CG1-CE 3.28Å; V210-M257 HydrophobicContact CG1-CG 4.35Å; V210-M257 PolarHBondContact N-O 3.13Å; V210-M257 PolarHBondContact O-N 3.1Å; L212-M257 HydrophobicContact CD1-CB 4.25Å; L212-M257 HydrophobicContact CD1-SD 4.38Å; L212-M257 HydrophobicContact CD2-CE 4.05Å; L212-M257 HydrophobicContact CG-CB 4.43Å; A249-M257 HydrophobicContact CB-CG 4.12Å; A249-M257 HydrophobicContact CB-SD 3.94Å; L250-M257 VanDerWaalsContact O-CA 3.27Å; L250-M257 WeakPolarHBondContact O-CA 3.41Å; I251-M257 HydrophobicContact CD1-SD 4.09Å; I251-M257 HydrophobicContact CG1-CG 3.95Å; I251-M257 HydrophobicContact CG1-SD 3.72Å; M257-A272 HydrophobicContact CE-CB 4.5Å; M257-Y275 VanDerWaalsContact SD-CB 3.58Å; M257-Y275 HydrophobicContact SD-CG 4.25Å |
| 258 | V | 98.5 | Very high | 97.5 | Very high | 28 Ų | 28 | 41 Ų | 41 | 17% | 0.17 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 145.5 | 168.5 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | V207 S208 T209 A249 L250 F252 T260 | V207-V258 HydrophobicContact CG1-CG1 3.95Å; S208-V258 CarbonylContact O-C 3.58Å; S208-V258 WeakPolarHBondContact O-CA 3.22Å; T209-V258 HydrophobicContact CG2-CG2 4.13Å; A249-V258 CarbonylContact C-O 3.57Å; A249-V258 WeakPolarHBondContact CA-O 3.44Å; A249-V258 WeakPolarHBondContact CB-O 3.47Å; L250-V258 HydrophobicContact CB-CB 4.25Å; L250-V258 PolarHBondContact N-O 2.76Å; L250-V258 PolarHBondContact O-N 2.91Å; F252-V258 HydrophobicContact CE2-CG2 4.08Å; V258-T260 HydrophobicContact CG1-CG2 4.07Å |
| 259 | C | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.2 | 177 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | V207 S208 T248 A272 | V207-C259 WeakPolarHBondContact CA-O 3.48Å; S208-C259 PolarHBondContact N-O 2.84Å; S208-C259 PolarHBondContact O-N 2.92Å; T248-C259 WeakPolarHBondContact O-CA 3.19Å; C259-A272 HydrophobicContact CB-CB 4.47Å |
| 260 | T | 97.8 | Very high | 97.5 | Very high | 39 Ų | 39 | 50 Ų | 50 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 163 | -174 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | V207 T247 T248 V258 | V207-T260 HydrophobicContact CB-CG2 4.45Å; V207-T260 HydrophobicContact CG1-CG2 4.12Å; V207-T260 HydrophobicContact CG2-CG2 4.03Å; T247-T260 VanDerWaalsContact CA-O 3.24Å; T247-T260 WeakPolarHBondContact CA-O 3.16Å; T247-T260 WeakPolarHBondContact CB-O 3.32Å; T247-T260 WeakPolarHBondContact CG2-O 3.43Å; T248-T260 PolarHBondContact N-O 2.73Å; T248-T260 PolarHBondContact O-N 2.99Å; V258-T260 HydrophobicContact CG1-CG2 4.07Å |
| 261 | G | 95.3 | Very high | 97.5 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.3 | 1.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N205 | N205-G261 VanDerWaalsContact OD1-CA 3.31Å; N205-G261 WeakPolarHBondContact OD1-CA 3.44Å; N205-G261 PolarHBondContact OD1-N 2.88Å |
| 262 | A | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 144.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N205 I206 T247 Q267 | N205-A262 CarbonylContact C-O 3.51Å; N205-A262 WeakPolarHBondContact CA-O 3.31Å; I206-A262 PolarHBondContact N-O 3.26Å; T247-A262 HydrophobicContact CG2-CB 4.02Å; A262-Q267 HydrophobicContact CB-CB 4.04Å |
| 263 | K | 95.3 | Very high | 97.5 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 45% | 0.452 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -97.5 | -8 | 177.6 | -65.2 | -154.7 | 174.8 | -156.3 | 0 | 114.7 | L203 Q267 | L203-K263 WeakPolarHBondContact CB-O 3.49Å; K263-Q267 VanDerWaalsContact N-OE1 3.16Å |
| 264 | S | 96.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -140.9 | 160.6 | 169.9 | 89.3 | 0 | 0 | 0 | 0 | 112.5 | I206 E266 Q267 S268 | I206-S264 VanDerWaalsContact CD1-CA 3.46Å; S264-E266 VanDerWaalsContact C-N 3.28Å; S264-E266 WeakPolarHBondContact CB-OE2 3.35Å; S264-E266 PolarHBondContact O-N 2.9Å; S264-E266 PolarHBondContact OG-OE2 3.12Å; S264-Q267 WeakPolarHBondContact O-CB 3.27Å; S264-Q267 PolarHBondContact O-N 3.09Å; S264-Q267 VanDerWaalsContact O-N 3.16Å; S264-Q267 WeakPolarHBondContact OG-CG 3.49Å; S264-Q267 PolarHBondContact OG-N 3.37Å; S264-S268 PolarHBondContact O-N 3.36Å |
| 265 | E | 96.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 51 Ų | 51 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -38.9 | -178.5 | -61.9 | 89.6 | 128 | 0 | 0 | 110.8 | I206 S268 R269 M296 | I206-E265 HydrophobicContact CD1-CG 4.22Å; E265-S268 PolarHBondContact O-N 2.93Å; E265-R269 WeakPolarHBondContact O-CB 3.4Å; E265-R269 PolarHBondContact O-N 3.16Å; E265-M296 HydrophobicContact CG-CE 3.94Å; E265-M296 WeakPolarHBondContact OE1-CE 3.4Å |
| 266 | E | 97.4 | Very high | 97.6 | Very high | 126 Ų | 126 | 51.2 Ų | 51.2 | 59% | 0.589 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.1 | -41.5 | 174.6 | -48.6 | 70.9 | -151.4 | 0 | 0 | 111.1 | S264 S268 R269 L270 | S264-E266 VanDerWaalsContact C-N 3.28Å; S264-E266 WeakPolarHBondContact CB-OE2 3.35Å; S264-E266 PolarHBondContact O-N 2.9Å; S264-E266 PolarHBondContact OG-OE2 3.12Å; E266-S268 VanDerWaalsContact C-N 3.34Å; E266-R269 PolarHBondContact O-N 2.82Å; E266-L270 WeakPolarHBondContact O-CB 3.5Å; E266-L270 PolarHBondContact O-N 2.88Å |
| 267 | Q | 97.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.4 | -72.2 | -178.1 | 9.2 | 0 | 0 | 111.1 | P245 A262 K263 S264 L270 A271 | P245-Q267 HydrophobicContact CB-CB 4.22Å; P245-Q267 HydrophobicContact CB-CG 4.38Å; P245-Q267 HydrophobicContact CG-CB 4.22Å; A262-Q267 HydrophobicContact CB-CB 4.04Å; K263-Q267 VanDerWaalsContact N-OE1 3.16Å; S264-Q267 WeakPolarHBondContact O-CB 3.27Å; S264-Q267 PolarHBondContact O-N 3.09Å; S264-Q267 VanDerWaalsContact O-N 3.16Å; S264-Q267 WeakPolarHBondContact OG-CG 3.49Å; S264-Q267 PolarHBondContact OG-N 3.37Å; Q267-L270 PolarHBondContact O-N 3.18Å; Q267-A271 VanDerWaalsContact O-CB 3.29Å; Q267-A271 WeakPolarHBondContact O-CB 3.27Å; Q267-A271 PolarHBondContact O-N 2.76Å |
| 268 | S | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 177.9 | -159.2 | 0 | 0 | 0 | 0 | 110.9 | S208 S264 E265 E266 A271 A272 | S208-S268 WeakPolarHBondContact CB-OG 3.32Å; S208-S268 PolarHBondContact OG-OG 3.05Å; S264-S268 PolarHBondContact O-N 3.36Å; E265-S268 PolarHBondContact O-N 2.93Å; E266-S268 VanDerWaalsContact C-N 3.34Å; S268-A271 PolarHBondContact O-N 2.86Å; S268-A272 WeakPolarHBondContact O-CB 3.4Å; S268-A272 PolarHBondContact O-N 2.71Å |
| 269 | R | 98.1 | Very high | 97.4 | Very high | 129 Ų | 129 | 52.4 Ų | 52.4 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.3 | -41 | 174.8 | -166.1 | -177.1 | -65.7 | -103 | 3.6 | 112.4 | E265 E266 R273 F288 F291 | E265-R269 WeakPolarHBondContact O-CB 3.4Å; E265-R269 PolarHBondContact O-N 3.16Å; E266-R269 PolarHBondContact O-N 2.82Å; R269-R273 VanDerWaalsContact O-CG 3.3Å; R269-R273 WeakPolarHBondContact O-CG 3.24Å; R269-R273 PolarHBondContact O-N 3.27Å; R269-F288 HydrophobicContact CG-CZ 4.22Å; R269-F291 HydrophobicContact CB-CE1 3.88Å; R269-F291 HydrophobicContact CB-CE2 4.12Å; R269-F291 HydrophobicContact CB-CZ 3.64Å; R269-F291 HydrophobicContact CG-CD1 4.15Å; R269-F291 HydrophobicContact CG-CE1 3.98Å; R269-F291 HydrophobicContact CG-CE2 4.36Å; R269-F291 HydrophobicContact CG-CG 4.42Å; R269-F291 HydrophobicContact CG-CZ 4.09Å; R269-F291 VanDerWaalsContact CZ-CD1 3.5Å |
| 270 | L | 98.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 55.8 Ų | 55.8 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 177 | 178.3 | 60.9 | 0 | 0 | 0 | 111.5 | E266 Q267 R273 K274 | E266-L270 WeakPolarHBondContact O-CB 3.5Å; E266-L270 PolarHBondContact O-N 2.88Å; Q267-L270 PolarHBondContact O-N 3.18Å; L270-R273 PolarHBondContact O-N 3.29Å; L270-K274 WeakPolarHBondContact O-CG 3.28Å; L270-K274 PolarHBondContact O-N 2.91Å |
| 271 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.8 | -54.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | P245 T247 Q267 S268 R273 K274 Y275 | P245-A271 HydrophobicContact CG-CB 3.84Å; T247-A271 HydrophobicContact CG2-CB 3.86Å; Q267-A271 VanDerWaalsContact O-CB 3.29Å; Q267-A271 WeakPolarHBondContact O-CB 3.27Å; Q267-A271 PolarHBondContact O-N 2.76Å; S268-A271 PolarHBondContact O-N 2.86Å; A271-R273 PolarHBondContact O-N 2.95Å; A271-K274 CarbonylContact O-C 3.33Å; A271-K274 WeakPolarHBondContact O-CA 3.45Å; A271-K274 WeakPolarHBondContact O-CB 3.36Å; A271-K274 PolarHBondContact O-N 2.88Å; A271-Y275 HydrophobicContact CB-CD2 4.46Å; A271-Y275 HydrophobicContact CB-CE2 4.2Å; A271-Y275 WeakPolarHBondContact O-CD2 3.24Å; A271-Y275 PolarHBondContact O-N 3.46Å |
| 272 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.2 | -37.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V210 M257 C259 S268 A276 F288 F291 | V210-A272 HydrophobicContact CG1-CB 4.27Å; M257-A272 HydrophobicContact CE-CB 4.5Å; C259-A272 HydrophobicContact CB-CB 4.47Å; S268-A272 WeakPolarHBondContact O-CB 3.4Å; S268-A272 PolarHBondContact O-N 2.71Å; A272-A276 WeakPolarHBondContact O-CB 3.46Å; A272-A276 PolarHBondContact O-N 2.62Å; A272-F288 HydrophobicContact CB-CE2 3.75Å; A272-F288 HydrophobicContact CB-CZ 4.28Å; A272-F291 HydrophobicContact CB-CD2 4.13Å; A272-F291 HydrophobicContact CB-CE2 3.97Å |
| 273 | R | 98.1 | Very high | 97.2 | Very high | 159 Ų | 159 | 64.9 Ų | 64.9 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.1 | -40.2 | 172.4 | -72.5 | 177.9 | 73.8 | -175.2 | 4 | 112.9 | R269 L270 A271 R277 F288 | R269-R273 VanDerWaalsContact O-CG 3.3Å; R269-R273 WeakPolarHBondContact O-CG 3.24Å; R269-R273 PolarHBondContact O-N 3.27Å; L270-R273 PolarHBondContact O-N 3.29Å; A271-R273 PolarHBondContact O-N 2.95Å; R273-R277 WeakPolarHBondContact O-CB 3.32Å; R273-R277 PolarHBondContact O-N 3.25Å; R273-F288 HydrophobicContact CB-CE2 4.27Å; R273-F288 HydrophobicContact CG-CD1 4.33Å; R273-F288 HydrophobicContact CG-CD2 3.77Å; R273-F288 HydrophobicContact CG-CE1 4.05Å; R273-F288 HydrophobicContact CG-CE2 3.43Å; R273-F288 VanDerWaalsContact CG-CE2 3.43Å; R273-F288 HydrophobicContact CG-CG 4.22Å; R273-F288 HydrophobicContact CG-CZ 3.59Å |
| 274 | K | 97.7 | Very high | 97.3 | Very high | 69 Ų | 69 | 61.1 Ų | 61.1 | 30% | 0.3 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.6 | -74.5 | -174.2 | -178.3 | -171.8 | 0 | 110.4 | I242 E244 L270 A271 R277 V278 | I242-K274 HydrophobicContact CD1-CB 3.89Å; I242-K274 HydrophobicContact CD1-CD 3.98Å; E244-K274 WeakPolarHBondContact O-CD 3.39Å; E244-K274 PolarHBondContact O-NZ 2.97Å; E244-K274 IonicContact OE2-NZ 2.97Å; E244-K274 PolarHBondContact OE2-NZ 2.89Å; L270-K274 WeakPolarHBondContact O-CG 3.28Å; L270-K274 PolarHBondContact O-N 2.91Å; A271-K274 CarbonylContact O-C 3.33Å; A271-K274 WeakPolarHBondContact O-CA 3.45Å; A271-K274 WeakPolarHBondContact O-CB 3.36Å; A271-K274 PolarHBondContact O-N 2.88Å; K274-R277 PolarHBondContact O-N 3.12Å; K274-V278 PolarHBondContact O-N 3.32Å |
| 275 | Y | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -49.3 | 175.8 | -71.2 | -68 | 0 | 0 | 0 | 112.8 | M240 I242 T247 T248 A249 M257 A271 R277 V278 V279 | M240-Y275 HydrophobicContact CB-CD1 4.26Å; M240-Y275 HydrophobicContact CB-CE1 4Å; M240-Y275 HydrophobicContact CG-CD1 4.12Å; M240-Y275 HydrophobicContact CG-CE1 3.93Å; M240-Y275 PolarHBondContact O-OH 2.57Å; M240-Y275 HydrophobicContact SD-CD1 3.82Å; M240-Y275 HydrophobicContact SD-CE1 4.23Å; I242-Y275 HydrophobicContact CD1-CE2 3.99Å; I242-Y275 HydrophobicContact CG1-CE1 4.47Å; I242-Y275 HydrophobicContact CG1-CE2 4.25Å; I242-Y275 HydrophobicContact CG2-CD1 4.39Å; I242-Y275 HydrophobicContact CG2-CE1 3.76Å; I242-Y275 PolarHBondContact N-OH 3.04Å; T247-Y275 VanDerWaalsContact C-OH 3.23Å; T247-Y275 PolarHBondContact O-OH 2.9Å; T247-Y275 PolarHBondContact OG1-OH 2.96Å; T248-Y275 WeakPolarHBondContact CA-OH 3.44Å; A249-Y275 HydrophobicContact CB-CD1 3.69Å; A249-Y275 HydrophobicContact CB-CD2 3.64Å; A249-Y275 HydrophobicContact CB-CE1 3.67Å; A249-Y275 HydrophobicContact CB-CE2 3.65Å; A249-Y275 HydrophobicContact CB-CG 3.69Å; M257-Y275 VanDerWaalsContact SD-CB 3.58Å; M257-Y275 HydrophobicContact SD-CG 4.25Å; A271-Y275 HydrophobicContact CB-CD2 4.46Å; A271-Y275 HydrophobicContact CB-CE2 4.2Å; A271-Y275 WeakPolarHBondContact O-CD2 3.24Å; A271-Y275 PolarHBondContact O-N 3.46Å; Y275-R277 PolarHBondContact O-N 2.99Å; Y275-V278 WeakPolarHBondContact O-CB 3.44Å; Y275-V278 PolarHBondContact O-N 3.39Å; Y275-V279 PolarHBondContact O-N 3.01Å |
| 276 | A | 97.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.6 | -38.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L212 A272 V279 Q280 F288 | L212-A276 HydrophobicContact CD2-CB 3.64Å; A272-A276 WeakPolarHBondContact O-CB 3.46Å; A272-A276 PolarHBondContact O-N 2.62Å; A276-V279 PolarHBondContact O-N 3.49Å; A276-Q280 WeakPolarHBondContact O-CG 3.09Å; A276-Q280 PolarHBondContact O-N 2.89Å; A276-F288 HydrophobicContact CB-CD2 4.18Å |
| 277 | R | 97.1 | Very high | 97.3 | Very high | 149 Ų | 149 | 64.7 Ų | 64.7 | 56% | 0.562 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.6 | -28.3 | 176.3 | -169.8 | 55.1 | 170.7 | 167.4 | 1.3 | 113.6 | R273 K274 Y275 K281 | R273-R277 WeakPolarHBondContact O-CB 3.32Å; R273-R277 PolarHBondContact O-N 3.25Å; K274-R277 PolarHBondContact O-N 3.12Å; Y275-R277 PolarHBondContact O-N 2.99Å; R277-K281 WeakPolarHBondContact O-CG 3.43Å; R277-K281 PolarHBondContact O-N 3.1Å; R277-K281 VanDerWaalsContact O-N 3.17Å |
| 278 | V | 96.2 | Very high | 97.3 | Very high | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.291 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -48.5 | 168.8 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | M240 K274 Y275 Q280 K281 L282 | M240-V278 HydrophobicContact CE-CG1 4.24Å; M240-V278 HydrophobicContact SD-CB 4.39Å; M240-V278 HydrophobicContact SD-CG1 3.91Å; K274-V278 PolarHBondContact O-N 3.32Å; Y275-V278 WeakPolarHBondContact O-CB 3.44Å; Y275-V278 PolarHBondContact O-N 3.39Å; V278-Q280 VanDerWaalsContact C-N 3.31Å; V278-Q280 PolarHBondContact O-N 3.28Å; V278-K281 WeakPolarHBondContact O-CB 3.25Å; V278-K281 PolarHBondContact O-N 3.13Å; V278-L282 HydrophobicContact CG1-CD1 4.48Å; V278-L282 WeakPolarHBondContact O-CG 3.3Å; V278-L282 PolarHBondContact O-N 2.94Å |
| 279 | V | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -40 | 179 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | L212 L216 I251 Y275 A276 K281 L282 F284 A286 | L212-V279 HydrophobicContact CD1-CG1 4.49Å; L212-V279 HydrophobicContact CD1-CG2 4.3Å; L216-V279 HydrophobicContact CD1-CG1 4.21Å; L216-V279 HydrophobicContact CD2-CG1 3.73Å; I251-V279 HydrophobicContact CD1-CG2 4.04Å; Y275-V279 PolarHBondContact O-N 3.01Å; A276-V279 PolarHBondContact O-N 3.49Å; V279-K281 PolarHBondContact O-N 2.98Å; V279-L282 PolarHBondContact O-N 3.25Å; V279-F284 HydrophobicContact CG1-CB 3.88Å; V279-F284 HydrophobicContact CG1-CD2 4.1Å; V279-F284 HydrophobicContact CG1-CG 4.26Å; V279-A286 HydrophobicContact CB-CB 4.24Å; V279-A286 HydrophobicContact CG1-CB 3.77Å |
| 280 | Q | 96.9 | Very high | 97.2 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 170.6 | -74 | 176.9 | -5.4 | 0 | 0 | 113.1 | A276 V278 L282 G283 A286 | A276-Q280 WeakPolarHBondContact O-CG 3.09Å; A276-Q280 PolarHBondContact O-N 2.89Å; V278-Q280 VanDerWaalsContact C-N 3.31Å; V278-Q280 PolarHBondContact O-N 3.28Å; Q280-L282 PolarHBondContact O-N 3.17Å; Q280-G283 PolarHBondContact O-N 3.44Å; Q280-A286 HydrophobicContact CG-CB 4.16Å; Q280-A286 WeakPolarHBondContact CG-O 3.33Å; Q280-A286 PolarHBondContact NE2-O 3.06Å |
| 281 | K | 96.6 | Very high | 97.2 | Very high | 168 Ų | 168 | 64.1 Ų | 64.1 | 73% | 0.73 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.5 | -17.9 | 178.8 | -79 | -176.4 | 173.5 | -169.6 | 0 | 113.7 | R277 V278 V279 G283 | R277-K281 WeakPolarHBondContact O-CG 3.43Å; R277-K281 PolarHBondContact O-N 3.1Å; R277-K281 VanDerWaalsContact O-N 3.17Å; V278-K281 WeakPolarHBondContact O-CB 3.25Å; V278-K281 PolarHBondContact O-N 3.13Å; V279-K281 PolarHBondContact O-N 2.98Å; K281-G283 VanDerWaalsContact C-N 3.27Å |
| 282 | L | 95.7 | Very high | 97.2 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 18% | 0.183 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 5.3 | 173.6 | -60.6 | 178 | 0 | 0 | 0 | 113.4 | I221 H224 A225 V278 V279 Q280 F284 | I221-L282 HydrophobicContact CB-CD1 4.43Å; I221-L282 HydrophobicContact CG1-CD1 4.28Å; I221-L282 HydrophobicContact CG2-CD1 4.18Å; H224-L282 HydrophobicContact CB-CD2 3.62Å; A225-L282 HydrophobicContact CB-CD1 4.15Å; V278-L282 HydrophobicContact CG1-CD1 4.48Å; V278-L282 WeakPolarHBondContact O-CG 3.3Å; V278-L282 PolarHBondContact O-N 2.94Å; V279-L282 PolarHBondContact O-N 3.25Å; Q280-L282 PolarHBondContact O-N 3.17Å; L282-F284 HydrophobicContact CB-CD2 3.92Å; L282-F284 HydrophobicContact CB-CE2 4.03Å |
| 283 | G | 95.9 | Very high | 97.2 | Very high | 63 Ų | 63 | 71 Ų | 71 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 14.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q280 K281 | Q280-G283 PolarHBondContact O-N 3.44Å; K281-G283 VanDerWaalsContact C-N 3.27Å |
| 284 | F | 96.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | trans | -90.4 | 141.9 | 172.6 | -62.1 | -83.9 | 0 | 0 | 0 | 110.8 | L216 D217 K220 I221 V279 L282 A286 | L216-F284 HydrophobicContact CD2-CB 3.76Å; L216-F284 HydrophobicContact CD2-CD1 3.6Å; L216-F284 HydrophobicContact CD2-CD2 4.27Å; L216-F284 HydrophobicContact CD2-CE1 4.23Å; L216-F284 HydrophobicContact CD2-CG 3.62Å; D217-F284 HydrophobicContact CB-CE1 4.39Å; D217-F284 HydrophobicContact CB-CZ 4.34Å; K220-F284 HydrophobicContact CB-CZ 4.26Å; K220-F284 HydrophobicContact CD-CE2 4.42Å; K220-F284 HydrophobicContact CD-CZ 3.95Å; K220-F284 HydrophobicContact CG-CZ 4.21Å; I221-F284 HydrophobicContact CD1-CE2 4.1Å; I221-F284 HydrophobicContact CD1-CZ 4.41Å; I221-F284 HydrophobicContact CG1-CD2 4.24Å; I221-F284 HydrophobicContact CG1-CE2 3.47Å; I221-F284 VanDerWaalsContact CG1-CE2 3.47Å; I221-F284 HydrophobicContact CG1-CZ 3.91Å; V279-F284 HydrophobicContact CG1-CB 3.88Å; V279-F284 HydrophobicContact CG1-CD2 4.1Å; V279-F284 HydrophobicContact CG1-CG 4.26Å; L282-F284 HydrophobicContact CB-CD2 3.92Å; L282-F284 HydrophobicContact CB-CE2 4.03Å; F284-A286 PolarHBondContact O-N 3.12Å | ||
| 285 | P | 96.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 65.1 Ų | 65.1 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | trans | -77.8 | 43.6 | -178.4 | 34.4 | -37.3 | 0 | 0 | 0 | 112.9 | C214 | C214-P285 HydrophobicContact CB-CG 4.02Š| ||
| 286 | A | 97.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | trans | -68.1 | 131.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L212 V279 Q280 F284 | L212-A286 HydrophobicContact CB-CB 4.16Å; L212-A286 HydrophobicContact CD2-CB 4.45Å; L212-A286 WeakPolarHBondContact O-CA 3.48Å; V279-A286 HydrophobicContact CB-CB 4.24Å; V279-A286 HydrophobicContact CG1-CB 3.77Å; Q280-A286 HydrophobicContact CG-CB 4.16Å; Q280-A286 WeakPolarHBondContact CG-O 3.33Å; Q280-A286 PolarHBondContact NE2-O 3.06Å; F284-A286 PolarHBondContact O-N 3.12Å | ||
| 287 | R | 96.6 | Very high | 97.2 | Very high | 168 Ų | 168 | 65.2 Ų | 65.2 | 63% | 0.634 | 32% | 0.323 | S | S | * | . | trans | -101.5 | -177.9 | 174.1 | -59.4 | -175.3 | 177.6 | -170.8 | -2.4 | 110.1 | L212 A213 L289 | L212-R287 WeakPolarHBondContact CA-O 3.5Å; L212-R287 WeakPolarHBondContact CD2-O 3.41Å; L212-R287 PolarHBondContact O-N 3.18Å; A213-R287 HydrophobicContact CB-CB 4.13Å; A213-R287 HydrophobicContact CB-CG 4.44Å; R287-L289 HydrophobicContact CB-CG 4.13Å | ||
| 288 | F | 97.9 | Very high | 97.2 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | trans | -129.1 | 84.7 | 174.3 | -174.1 | -89.7 | 0 | 0 | 0 | 107.8 | V210 R269 A272 R273 A276 F291 | V210-F288 HydrophobicContact CB-CE2 4.46Å; V210-F288 HydrophobicContact CG2-CD1 4.49Å; V210-F288 HydrophobicContact CG2-CD2 3.69Å; V210-F288 HydrophobicContact CG2-CE1 4.48Å; V210-F288 HydrophobicContact CG2-CE2 3.67Å; V210-F288 HydrophobicContact CG2-CG 4.11Å; V210-F288 HydrophobicContact CG2-CZ 4.08Å; R269-F288 HydrophobicContact CG-CZ 4.22Å; A272-F288 HydrophobicContact CB-CE2 3.75Å; A272-F288 HydrophobicContact CB-CZ 4.28Å; R273-F288 HydrophobicContact CB-CE2 4.27Å; R273-F288 HydrophobicContact CG-CD1 4.33Å; R273-F288 HydrophobicContact CG-CD2 3.77Å; R273-F288 HydrophobicContact CG-CE1 4.05Å; R273-F288 HydrophobicContact CG-CE2 3.43Å; R273-F288 VanDerWaalsContact CG-CE2 3.43Å; R273-F288 HydrophobicContact CG-CG 4.22Å; R273-F288 HydrophobicContact CG-CZ 3.59Å; A276-F288 HydrophobicContact CB-CD2 4.18Å; F288-F291 HydrophobicContact CE1-CB 3.73Å; F288-F291 HydrophobicContact CE1-CD2 4.41Å; F288-F291 HydrophobicContact CE1-CG 4.18Å; F288-F291 HydrophobicContact CE2-CD2 4.36Å; F288-F291 HydrophobicContact CZ-CB 3.8Å; F288-F291 AromaticContact CZ-CD2 3.64Å; F288-F291 HydrophobicContact CZ-CD2 3.64Å; F288-F291 AromaticContact CZ-CG 3.85Å; F288-F291 HydrophobicContact CZ-CG 3.85Å | ||
| 289 | L | 97.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 56.9 Ų | 56.9 | 40% | 0.398 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 162.9 | -178.5 | -54.1 | -175.7 | 0 | 0 | 0 | 110.2 | V210 N211 A213 R287 F291 | V210-L289 WeakPolarHBondContact CG2-O 3.07Å; N211-L289 HydrophobicContact CB-CB 4.28Å; N211-L289 PolarHBondContact N-O 3.11Å; N211-L289 PolarHBondContact O-N 3.21Å; A213-L289 HydrophobicContact CB-CD1 3.8Å; A213-L289 HydrophobicContact CB-CG 4.45Å; R287-L289 HydrophobicContact CB-CG 4.13Å; L289-F291 PolarHBondContact O-N 3.16Å; L289-F291 VanDerWaalsContact O-N 3.08Å |
| 290 | D | 96.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.7 | 33.4 | 167.6 | -40.5 | -33.3 | 0 | 0 | 0 | 114.9 | N211 K292 | N211-D290 HydrophobicContact CB-CB 3.89Å; N211-D290 WeakPolarHBondContact CB-OD2 3.41Å; N211-D290 PolarHBondContact ND2-OD2 3.3Å; D290-K292 PolarHBondContact O-N 3.11Å |
| 291 | F | 98.3 | Very high | 97.3 | Very high | 32 Ų | 32 | 55.4 Ų | 55.4 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 117 | 175.7 | 178.4 | -90.5 | 0 | 0 | 0 | 110.5 | S208 T209 V210 R269 A272 F288 L289 I293 | S208-F291 WeakPolarHBondContact OG-CE2 3.49Å; T209-F291 WeakPolarHBondContact O-CA 3.29Å; V210-F291 HydrophobicContact CB-CD2 4.31Å; V210-F291 HydrophobicContact CG2-CB 4.23Å; R269-F291 HydrophobicContact CB-CE1 3.88Å; R269-F291 HydrophobicContact CB-CE2 4.12Å; R269-F291 HydrophobicContact CB-CZ 3.64Å; R269-F291 HydrophobicContact CG-CD1 4.15Å; R269-F291 HydrophobicContact CG-CE1 3.98Å; R269-F291 HydrophobicContact CG-CE2 4.36Å; R269-F291 HydrophobicContact CG-CG 4.42Å; R269-F291 HydrophobicContact CG-CZ 4.09Å; R269-F291 VanDerWaalsContact CZ-CD1 3.5Å; A272-F291 HydrophobicContact CB-CD2 4.13Å; A272-F291 HydrophobicContact CB-CE2 3.97Å; F288-F291 HydrophobicContact CE1-CB 3.73Å; F288-F291 HydrophobicContact CE1-CD2 4.41Å; F288-F291 HydrophobicContact CE1-CG 4.18Å; F288-F291 HydrophobicContact CE2-CD2 4.36Å; F288-F291 HydrophobicContact CZ-CB 3.8Å; F288-F291 AromaticContact CZ-CD2 3.64Å; F288-F291 HydrophobicContact CZ-CD2 3.64Å; F288-F291 AromaticContact CZ-CG 3.85Å; F288-F291 HydrophobicContact CZ-CG 3.85Å; L289-F291 PolarHBondContact O-N 3.16Å; L289-F291 VanDerWaalsContact O-N 3.08Å; F291-I293 HydrophobicContact CE1-CD1 3.91Å; F291-I293 HydrophobicContact CZ-CD1 3.8Å |
| 292 | K | 97.8 | Very high | 97.2 | Very high | 118 Ų | 118 | 47.5 Ų | 47.5 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.9 | -176.9 | 176.6 | 165.8 | 179.8 | 174.7 | 0 | 111.1 | S208 T209 D290 | S208-K292 CarbonylContact C-O 3.56Å; S208-K292 VanDerWaalsContact CA-O 3.27Å; S208-K292 WeakPolarHBondContact CA-O 3.49Å; S208-K292 WeakPolarHBondContact CB-O 3.2Å; T209-K292 PolarHBondContact N-O 3.37Å; T209-K292 PolarHBondContact O-N 2.82Å; D290-K292 PolarHBondContact O-N 3.11Å |
| 293 | I | 98.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 133.3 | 167.2 | -52.7 | -51.2 | 0 | 0 | 0 | 108.5 | I206 F291 M296 | I206-I293 HydrophobicContact CG2-CD1 3.87Å; I206-I293 HydrophobicContact CG2-CG2 3.96Å; F291-I293 HydrophobicContact CE1-CD1 3.91Å; F291-I293 HydrophobicContact CZ-CD1 3.8Å; I293-M296 HydrophobicContact CG2-CG 3.57Å; I293-M296 HydrophobicContact CG2-SD 4.13Å |
| 294 | Q | 97.6 | Very high | 97.3 | Very high | 73 Ų | 73 | 53.2 Ų | 53.2 | 34% | 0.341 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -37 | -179.3 | -60.9 | -65.5 | 1.9 | 0 | 0 | 112.4 | V207 T209 K354 | V207-Q294 HydrophobicContact CG1-CB 4.45Å; V207-Q294 PolarHBondContact O-N 3.29Å; T209-Q294 HydrophobicContact CG2-CG 3.7Å; T209-Q294 PolarHBondContact OG1-NE2 2.97Å; Q294-K354 WeakPolarHBondContact O-CG 3.3Å |
| 295 | N | 97.5 | Very high | 97.3 | Very high | 33 Ų | 33 | 55 Ų | 55 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 145.1 | 174 | -171 | 17.6 | 0 | 0 | 0 | 110.9 | V207 T351 G352 A353 | V207-N295 HydrophobicContact CB-CB 4.17Å; V207-N295 HydrophobicContact CG2-CB 4.33Å; V207-N295 PolarHBondContact N-O 2.96Å; V207-N295 PolarHBondContact O-N 2.9Å; N295-T351 PolarHBondContact ND2-OG1 2.96Å; N295-T351 VanDerWaalsContact ND2-OG1 3.12Å; N295-G352 VanDerWaalsContact OD1-CA 3.3Å; N295-G352 WeakPolarHBondContact OD1-CA 3.03Å; N295-G352 PolarHBondContact OD1-N 2.96Å; N295-A353 CarbonylContact C-O 3.51Å; N295-A353 VanDerWaalsContact CA-O 3.25Å; N295-A353 WeakPolarHBondContact CA-O 3.38Å |
| 296 | M | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.9 | 171.8 | -57.8 | -175.9 | 68.5 | 0 | 0 | 108.6 | L203 I206 E265 I293 A353 R356 I359 | L203-M296 HydrophobicContact CD1-CE 3.64Å; L203-M296 HydrophobicContact CD2-CE 3.85Å; L203-M296 HydrophobicContact CG-CE 4.42Å; I206-M296 HydrophobicContact CD1-CE 3.9Å; I206-M296 HydrophobicContact CG1-CE 4.13Å; I206-M296 HydrophobicContact CG1-CG 4.27Å; I206-M296 HydrophobicContact CG2-CG 4.43Å; E265-M296 HydrophobicContact CG-CE 3.94Å; E265-M296 WeakPolarHBondContact OE1-CE 3.4Å; I293-M296 HydrophobicContact CG2-CG 3.57Å; I293-M296 HydrophobicContact CG2-SD 4.13Å; M296-A353 HydrophobicContact CB-CB 4.21Å; M296-A353 PolarHBondContact N-O 2.94Å; M296-R356 HydrophobicContact CE-CB 3.99Å; M296-I359 HydrophobicContact CB-CD1 3.87Å |
| 297 | V | 97.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.3 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | Q204 N205 V349 L350 | Q204-V297 PolarHBondContact N-O 3.42Å; N205-V297 HydrophobicContact CB-CB 4.21Å; N205-V297 HydrophobicContact CB-CG2 4.34Å; N205-V297 PolarHBondContact N-O 2.88Å; N205-V297 PolarHBondContact O-N 3.28Å; V297-V349 HydrophobicContact CG1-CG1 3.73Å; V297-L350 CarbonylContact C-O 3.6Å; V297-L350 WeakPolarHBondContact CA-O 3.43Å |
| 298 | G | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 158.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q202 V349 L350 | Q202-G298 CarbonylContact O-C 3.57Å; Q202-G298 VanDerWaalsContact O-CA 3.32Å; Q202-G298 WeakPolarHBondContact O-CA 3.47Å; G298-V349 WeakPolarHBondContact O-CA 3.35Å; G298-L350 PolarHBondContact N-O 2.86Å; G298-L350 PolarHBondContact O-N 2.83Å |
| 299 | S | 97.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 155.8 | 164.3 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | Q202 Q204 V348 | Q202-S299 PolarHBondContact N-O 3Å; Q202-S299 PolarHBondContact O-N 2.87Å; Q204-S299 VanDerWaalsContact CG-OG 3.28Å; Q204-S299 WeakPolarHBondContact CG-OG 3.22Å; Q204-S299 PolarHBondContact NE2-OG 2.79Å; S299-V348 CarbonylContact C-O 3.46Å; S299-V348 VanDerWaalsContact CA-O 3.24Å; S299-V348 WeakPolarHBondContact CA-O 3.3Å; S299-V348 WeakPolarHBondContact CB-O 3.43Å |
| 300 | C | 97.2 | Very high | 97.2 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.095 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 174.2 | 173.4 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | I199 P201 V348 F363 | I199-C300 HydrophobicContact CG2-CB 4.06Å; P201-C300 HydrophobicContact CG-CB 4.39Å; C300-V348 PolarHBondContact N-O 3.49Å; C300-V348 PolarHBondContact O-N 3.04Å; C300-F363 HydrophobicContact CB-CE2 4.29Å; C300-F363 WeakPolarHBondContact SG-CD2 3.42Å; C300-F363 WeakPolarHBondContact SG-CE2 3.27Å |
| 301 | D | 97.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 113.8 | 176.5 | 175.2 | -6.4 | 0 | 0 | 0 | 106.5 | I199 R303 G346 K347 | I199-D301 WeakPolarHBondContact CG2-O 3.17Å; D301-R303 PolarHBondContact O-N 2.92Å; D301-R303 WeakPolarHBondContact OD1-CA 3.43Å; D301-R303 PolarHBondContact OD1-N 3.36Å; D301-R303 IonicContact OD2-CZ 3.29Å; D301-R303 IonicContact OD2-NE 3.36Å; D301-R303 IonicContact OD2-NH1 3.78Å; D301-R303 PolarHBondContact OD2-NH1 3.21Å; D301-G346 WeakPolarHBondContact CA-O 3.49Å; D301-K347 HydrophobicContact CB-CG 4.39Å |
| 302 | V | 96.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | trans | -74.5 | -2.6 | -176.6 | -52.5 | 0 | 0 | 0 | 0 | 113.2 | F304 I306 G346 V348 F363 Y367 L370 | V302-F304 VanDerWaalsContact C-N 3.25Å; V302-F304 HydrophobicContact CB-CD1 4.3Å; V302-F304 HydrophobicContact CB-CE1 3.8Å; V302-F304 HydrophobicContact CB-CE2 4.45Å; V302-F304 HydrophobicContact CB-CZ 3.88Å; V302-F304 HydrophobicContact CG2-CD1 3.97Å; V302-F304 HydrophobicContact CG2-CD2 3.85Å; V302-F304 HydrophobicContact CG2-CE1 3.72Å; V302-F304 HydrophobicContact CG2-CE2 3.58Å; V302-F304 HydrophobicContact CG2-CG 4.03Å; V302-F304 HydrophobicContact CG2-CZ 3.51Å; V302-F304 WeakPolarHBondContact O-CD1 3.12Å; V302-F304 VanDerWaalsContact O-CE1 3.3Å; V302-F304 WeakPolarHBondContact O-CE1 3.34Å; V302-F304 PolarHBondContact O-N 3.03Å; V302-I306 HydrophobicContact CG2-CD1 4Å; V302-I306 HydrophobicContact CG2-CG1 4.37Å; V302-G346 WeakPolarHBondContact CG2-O 3.47Å; V302-G346 PolarHBondContact N-O 3.05Å; V302-V348 HydrophobicContact CG1-CG2 4.45Å; V302-F363 HydrophobicContact CG1-CE2 4.05Å; V302-F363 HydrophobicContact CG1-CZ 4.28Å; V302-Y367 HydrophobicContact CB-CE2 4.24Å; V302-Y367 HydrophobicContact CG1-CD2 4.09Å; V302-Y367 HydrophobicContact CG1-CE2 4.31Å; V302-L370 HydrophobicContact CG1-CD1 4.37Å | ||
| 303 | R | 95.6 | Very high | 97 | Very high | 195 Ų | 195 | 41.7 Ų | 41.7 | 74% | 0.736 | 20% | 0.204 | S | C | * | . | S | Bend | trans | 63.3 | 20.4 | 177.5 | -51.4 | -57.4 | -173 | 176.7 | 10.4 | 115.5 | I199 D301 | I199-R303 HydrophobicContact CD1-CG 4.13Å; D301-R303 PolarHBondContact O-N 2.92Å; D301-R303 WeakPolarHBondContact OD1-CA 3.43Å; D301-R303 PolarHBondContact OD1-N 3.36Å; D301-R303 IonicContact OD2-CZ 3.29Å; D301-R303 IonicContact OD2-NE 3.36Å; D301-R303 IonicContact OD2-NH1 3.78Å; D301-R303 PolarHBondContact OD2-NH1 3.21Å |
| 304 | F | 96.3 | Very high | 96.9 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -147.4 | 148.3 | 170.4 | 56 | -99.5 | 0 | 0 | 0 | 112.1 | V302 I306 G346 Y367 L370 K371 K374 | V302-F304 VanDerWaalsContact C-N 3.25Å; V302-F304 HydrophobicContact CB-CD1 4.3Å; V302-F304 HydrophobicContact CB-CE1 3.8Å; V302-F304 HydrophobicContact CB-CE2 4.45Å; V302-F304 HydrophobicContact CB-CZ 3.88Å; V302-F304 HydrophobicContact CG2-CD1 3.97Å; V302-F304 HydrophobicContact CG2-CD2 3.85Å; V302-F304 HydrophobicContact CG2-CE1 3.72Å; V302-F304 HydrophobicContact CG2-CE2 3.58Å; V302-F304 HydrophobicContact CG2-CG 4.03Å; V302-F304 HydrophobicContact CG2-CZ 3.51Å; V302-F304 WeakPolarHBondContact O-CD1 3.12Å; V302-F304 VanDerWaalsContact O-CE1 3.3Å; V302-F304 WeakPolarHBondContact O-CE1 3.34Å; V302-F304 PolarHBondContact O-N 3.03Å; F304-I306 HydrophobicContact CD2-CG1 4.28Å; F304-I306 HydrophobicContact CE2-CG1 4.19Å; F304-G346 VanDerWaalsContact O-CA 3.23Å; F304-G346 WeakPolarHBondContact O-CA 3.14Å; F304-Y367 HydrophobicContact CE1-CE2 4.07Å; F304-Y367 HydrophobicContact CZ-CE2 4.27Å; F304-L370 WeakPolarHBondContact CE2-O 3.31Å; F304-K371 HydrophobicContact CZ-CB 4.17Å; F304-K374 HydrophobicContact CB-CD 3.9Å; F304-K374 HydrophobicContact CB-CG 4.1Å; F304-K374 HydrophobicContact CD2-CB 3.75Å; F304-K374 HydrophobicContact CD2-CD 4.09Å; F304-K374 HydrophobicContact CD2-CG 3.78Å; F304-K374 HydrophobicContact CE2-CB 4.04Å; F304-K374 HydrophobicContact CG-CB 4.46Å; F304-K374 HydrophobicContact CG-CD 3.93Å; F304-K374 HydrophobicContact CG-CG 4.09Å |
| 305 | P | 97.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 41% | 0.409 | 22% | 0.216 | S | C | . | . | trans | -69.6 | 146.1 | 176.9 | 28.1 | -34.6 | 0 | 0 | 0 | 112.3 | V344 K374 K375 | P305-V344 CarbonylContact C-O 3.55Å; P305-V344 WeakPolarHBondContact CA-O 3.42Å; P305-V344 WeakPolarHBondContact CB-O 3.21Å; P305-K374 WeakPolarHBondContact O-CA 3.23Å; P305-K375 HydrophobicContact CB-CB 4.28Å; P305-K375 HydrophobicContact CG-CB 4.12Å; P305-K375 PolarHBondContact O-N 3.32Å | ||
| 306 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -118.7 | 138.9 | -171.8 | -52.2 | 173.6 | 0 | 0 | 0 | 111 | V302 F304 L308 I342 V344 L370 F373 K375 | V302-I306 HydrophobicContact CG2-CD1 4Å; V302-I306 HydrophobicContact CG2-CG1 4.37Å; F304-I306 HydrophobicContact CD2-CG1 4.28Å; F304-I306 HydrophobicContact CE2-CG1 4.19Å; I306-L308 HydrophobicContact CB-CD2 4.24Å; I306-L308 HydrophobicContact CG2-CD2 3.93Å; I306-L308 PolarHBondContact O-N 3.35Å; I306-I342 HydrophobicContact CD1-CG2 3.85Å; I306-V344 PolarHBondContact N-O 3.37Å; I306-L370 HydrophobicContact CD1-CB 4.2Å; I306-L370 HydrophobicContact CD1-CD1 4.07Å; I306-L370 HydrophobicContact CD1-CD2 4.32Å; I306-L370 HydrophobicContact CD1-CG 4.4Å; I306-L370 HydrophobicContact CG2-CD2 4.47Å; I306-F373 HydrophobicContact CG2-CB 4.11Å; I306-K375 VanDerWaalsContact O-CE 3.23Å; I306-K375 WeakPolarHBondContact O-CE 3.46Å |
| 307 | R | 97.4 | Very high | 96.7 | Very high | 119 Ų | 119 | 57.2 Ų | 57.2 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | trans | -85.8 | 73.9 | 175.2 | -160 | -173.1 | -46.4 | -146.6 | 4.5 | 111.5 | E309 G310 L311 F373 K375 | R307-E309 WeakPolarHBondContact CA-OE2 3.48Å; R307-E309 WeakPolarHBondContact CG-OE2 3.46Å; R307-E309 PolarHBondContact O-N 2.87Å; R307-E309 VanDerWaalsContact O-N 3.14Å; R307-G310 PolarHBondContact O-N 2.84Å; R307-L311 PolarHBondContact O-N 3.28Å; R307-L311 VanDerWaalsContact O-N 3.08Å; R307-F373 WeakPolarHBondContact CB-O 3.37Å; R307-F373 PolarHBondContact N-O 3.07Å; R307-K375 VanDerWaalsContact CA-CE 3.46Å; R307-K375 HydrophobicContact CB-CG 3.93Å; R307-K375 HydrophobicContact CG-CG 4.49Å | ||
| 308 | L | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.7 | -30.7 | -179.7 | -58.1 | -173.8 | 0 | 0 | 0 | 112.7 | I306 G310 L311 V312 Y321 L329 I342 V344 | I306-L308 HydrophobicContact CB-CD2 4.24Å; I306-L308 HydrophobicContact CG2-CD2 3.93Å; I306-L308 PolarHBondContact O-N 3.35Å; L308-G310 VanDerWaalsContact C-N 3.35Å; L308-G310 PolarHBondContact O-N 2.84Å; L308-L311 HydrophobicContact CD2-CD2 4.43Å; L308-L311 PolarHBondContact O-N 2.93Å; L308-V312 WeakPolarHBondContact O-CG1 3.5Å; L308-V312 PolarHBondContact O-N 3.17Å; L308-Y321 HydrophobicContact CB-CD1 4.17Å; L308-Y321 HydrophobicContact CB-CE1 3.94Å; L308-Y321 HydrophobicContact CB-CE2 4.32Å; L308-Y321 HydrophobicContact CB-CG 4.45Å; L308-Y321 HydrophobicContact CD1-CD2 4.1Å; L308-Y321 HydrophobicContact CD1-CE2 3.58Å; L308-L329 HydrophobicContact CB-CB 4.4Å; L308-L329 HydrophobicContact CB-CD1 4.23Å; L308-L329 HydrophobicContact CD1-CB 4.04Å; L308-L329 HydrophobicContact CD2-CB 3.97Å; L308-L329 HydrophobicContact CD2-CD1 4.43Å; L308-L329 HydrophobicContact CG-CB 4.36Å; L308-I342 WeakPolarHBondContact CD1-O 3.49Å; L308-I342 HydrophobicContact CD2-CB 4.38Å; L308-I342 HydrophobicContact CD2-CG2 3.88Å; L308-V344 HydrophobicContact CD1-CG1 3.53Å; L308-V344 HydrophobicContact CG-CG1 3.92Å |
| 309 | E | 95.7 | Very high | 96.6 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65 | -38 | 179.6 | -43.1 | 82.3 | 175.3 | 0 | 0 | 111.4 | R307 K375 | R307-E309 WeakPolarHBondContact CA-OE2 3.48Å; R307-E309 WeakPolarHBondContact CG-OE2 3.46Å; R307-E309 PolarHBondContact O-N 2.87Å; R307-E309 VanDerWaalsContact O-N 3.14Å; E309-K375 IonicContact OE1-NZ 2.7Å; E309-K375 PolarHBondContact OE1-NZ 3.22Å; E309-K375 IonicContact OE2-NZ 3.46Å |
| 310 | G | 95.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -80.2 | -31.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R307 L308 T314 F373 | R307-G310 PolarHBondContact O-N 2.84Å; L308-G310 VanDerWaalsContact C-N 3.35Å; L308-G310 PolarHBondContact O-N 2.84Å; G310-T314 WeakPolarHBondContact O-CB 3.46Å; G310-T314 PolarHBondContact O-N 2.85Å; G310-T314 VanDerWaalsContact O-N 3.11Å; G310-T314 PolarHBondContact O-OG1 2.86Å; G310-F373 WeakPolarHBondContact O-CE1 3.3Å |
| 311 | L | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -47.1 | 177.5 | 179.8 | 59 | 0 | 0 | 0 | 111.4 | R307 L308 L313 T314 H315 L329 I342 I369 L370 F373 | R307-L311 PolarHBondContact O-N 3.28Å; R307-L311 VanDerWaalsContact O-N 3.08Å; L308-L311 HydrophobicContact CD2-CD2 4.43Å; L308-L311 PolarHBondContact O-N 2.93Å; L311-L313 PolarHBondContact O-N 3Å; L311-T314 PolarHBondContact O-N 3.12Å; L311-H315 HydrophobicContact CD1-CB 4.35Å; L311-H315 WeakPolarHBondContact O-CB 3.35Å; L311-H315 PolarHBondContact O-N 3.17Å; L311-L329 HydrophobicContact CB-CD1 4.15Å; L311-L329 HydrophobicContact CD2-CD1 4Å; L311-L329 HydrophobicContact CD2-CD2 4.16Å; L311-L329 HydrophobicContact CG-CD1 3.97Å; L311-I342 HydrophobicContact CD2-CD1 4.41Å; L311-I369 HydrophobicContact CD1-CG2 3.76Å; L311-L370 HydrophobicContact CD2-CD2 3.69Å; L311-F373 HydrophobicContact CB-CD1 4.43Å; L311-F373 HydrophobicContact CB-CD2 4.17Å; L311-F373 HydrophobicContact CB-CE2 4.48Å; L311-F373 HydrophobicContact CB-CG 4.15Å; L311-F373 HydrophobicContact CD1-CD2 3.68Å; L311-F373 HydrophobicContact CD1-CE2 3.73Å; L311-F373 HydrophobicContact CD1-CG 4.49Å; L311-F373 HydrophobicContact CG-CD2 4.47Å |
| 312 | V | 96.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 68.3 Ų | 68.3 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 177.7 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | L308 T314 Q316 Y321 L329 | L308-V312 WeakPolarHBondContact O-CG1 3.5Å; L308-V312 PolarHBondContact O-N 3.17Å; V312-T314 VanDerWaalsContact C-N 3.3Å; V312-T314 PolarHBondContact O-N 3.19Å; V312-Q316 WeakPolarHBondContact O-CA 3.49Å; V312-Q316 VanDerWaalsContact O-CB 3.3Å; V312-Q316 WeakPolarHBondContact O-CB 3.45Å; V312-Q316 PolarHBondContact O-N 3.37Å; V312-Y321 HydrophobicContact CG1-CD1 4.45Å; V312-L329 HydrophobicContact CB-CD1 3.87Å |
| 313 | L | 95.9 | Very high | 96.4 | Very high | 138 Ų | 138 | 71.1 Ų | 71.1 | 72% | 0.723 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 175.6 | -175.4 | 66.6 | 0 | 0 | 0 | 112 | L311 | L311-L313 PolarHBondContact O-N 3Å |
| 314 | T | 96.5 | Very high | 96.4 | Very high | 91 Ų | 91 | 70.6 Ų | 70.6 | 56% | 0.558 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -87.4 | -35.2 | -175.2 | -49.3 | 0 | 0 | 0 | 0 | 112.6 | G310 L311 V312 F373 | G310-T314 WeakPolarHBondContact O-CB 3.46Å; G310-T314 PolarHBondContact O-N 2.85Å; G310-T314 VanDerWaalsContact O-N 3.11Å; G310-T314 PolarHBondContact O-OG1 2.86Å; L311-T314 PolarHBondContact O-N 3.12Å; V312-T314 VanDerWaalsContact C-N 3.3Å; V312-T314 PolarHBondContact O-N 3.19Å; T314-F373 HydrophobicContact CG2-CZ 4.03Å; T314-F373 WeakPolarHBondContact OG1-CZ 3.12Å |
| 315 | H | 96.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 76.9 Ų | 76.9 | 18% | 0.181 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -111.6 | 33.7 | -177.6 | -70.9 | -115.1 | 0 | 0 | 0 | 111.9 | L311 Q317 F318 S319 Y331 | L311-H315 HydrophobicContact CD1-CB 4.35Å; L311-H315 WeakPolarHBondContact O-CB 3.35Å; L311-H315 PolarHBondContact O-N 3.17Å; H315-Q317 PolarHBondContact O-N 3.05Å; H315-Q317 VanDerWaalsContact O-N 3.12Å; H315-F318 CarbonylContact O-C 3.57Å; H315-F318 PolarHBondContact O-N 3.12Å; H315-S319 WeakPolarHBondContact CB-OG 3.43Å; H315-S319 VanDerWaalsContact O-CB 3.27Å; H315-S319 WeakPolarHBondContact O-CB 3.42Å; H315-S319 PolarHBondContact O-N 3.34Å; H315-S319 PolarHBondContact O-OG 2.89Å; H315-Y331 HydrophobicContact CB-CE2 3.81Å; H315-Y331 AromaticContact CG-CE2 4Å; H315-Y331 AromaticContact ND1-CE2 3.72Å; H315-Y331 AromaticContact ND1-CZ 3.84Å; H315-Y331 PolarHBondContact ND1-OH 3.31Å |
| 316 | Q | 95.8 | Very high | 96.3 | Very high | 149 Ų | 149 | 77.4 Ų | 77.4 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.4 | -171.2 | -162.3 | -177.7 | 22.5 | 0 | 0 | 113.9 | V312 F318 S319 | V312-Q316 WeakPolarHBondContact O-CA 3.49Å; V312-Q316 VanDerWaalsContact O-CB 3.3Å; V312-Q316 WeakPolarHBondContact O-CB 3.45Å; V312-Q316 PolarHBondContact O-N 3.37Å; Q316-F318 PolarHBondContact O-N 3.44Å; Q316-S319 PolarHBondContact O-N 3.45Å |
| 317 | Q | 96.2 | Very high | 96.1 | Very high | 180 Ų | 180 | 81.6 Ų | 81.6 | 84% | 0.841 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.2 | 177.1 | -66.9 | -177.4 | -18.1 | 0 | 0 | 114.1 | H315 | H315-Q317 PolarHBondContact O-N 3.05Å; H315-Q317 VanDerWaalsContact O-N 3.12Å |
| 318 | F | 96.3 | Very high | 96.1 | Very high | 74 Ų | 74 | 76 Ų | 76 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -8.6 | -177.9 | -51.5 | -64.6 | 0 | 0 | 0 | 113 | H315 Q316 Y331 R332 V334 | H315-F318 CarbonylContact O-C 3.57Å; H315-F318 PolarHBondContact O-N 3.12Å; Q316-F318 PolarHBondContact O-N 3.44Å; F318-Y331 HydrophobicContact CB-CE1 4.09Å; F318-Y331 HydrophobicContact CB-CE2 4.09Å; F318-Y331 CarbonylContact O-C 3.6Å; F318-Y331 WeakPolarHBondContact O-CA 3.49Å; F318-R332 PolarHBondContact O-N 3.39Å; F318-V334 HydrophobicContact CD1-CG2 4.12Å; F318-V334 HydrophobicContact CE1-CG2 3.78Å |
| 319 | S | 97.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 76 Ų | 76 | 5% | 0.049 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.1 | -166.9 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | H315 Q316 I330 Y331 | H315-S319 WeakPolarHBondContact CB-OG 3.43Å; H315-S319 VanDerWaalsContact O-CB 3.27Å; H315-S319 WeakPolarHBondContact O-CB 3.42Å; H315-S319 PolarHBondContact O-N 3.34Å; H315-S319 PolarHBondContact O-OG 2.89Å; Q316-S319 PolarHBondContact O-N 3.45Å; S319-I330 CarbonylContact C-O 3.58Å; S319-I330 WeakPolarHBondContact CA-O 3.44Å; S319-Y331 WeakPolarHBondContact OG-CD2 3.23Å |
| 320 | S | 97.3 | Very high | 96.3 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.3 | 170.1 | -48 | 0 | 0 | 0 | 0 | 108.7 | I330 | S320-I330 PolarHBondContact N-O 2.86Å; S320-I330 PolarHBondContact O-N 3.23Å |
| 321 | Y | 97.7 | Very high | 96.4 | Very high | 37 Ų | 37 | 74 Ų | 74 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | trans | -148.6 | 96.8 | -177.2 | 177.8 | -120.1 | 0 | 0 | 0 | 110.2 | L308 V312 P323 L329 | L308-Y321 HydrophobicContact CB-CD1 4.17Å; L308-Y321 HydrophobicContact CB-CE1 3.94Å; L308-Y321 HydrophobicContact CB-CE2 4.32Å; L308-Y321 HydrophobicContact CB-CG 4.45Å; L308-Y321 HydrophobicContact CD1-CD2 4.1Å; L308-Y321 HydrophobicContact CD1-CE2 3.58Å; V312-Y321 HydrophobicContact CG1-CD1 4.45Å; Y321-P323 HydrophobicContact CE1-CG 4.44Å; Y321-P323 HydrophobicContact CE2-CB 4.25Å; Y321-L329 HydrophobicContact CD2-CB 3.99Å; Y321-L329 HydrophobicContact CG-CB 4.21Å | ||
| 322 | E | 95.3 | Very high | 96.5 | Very high | 128 Ų | 128 | 80.9 Ų | 80.9 | 60% | 0.598 | 41% | 0.405 | S | S | * | . | trans | -117 | 92.2 | 176.4 | -61 | -56.9 | 153.9 | 0 | 0 | 107.3 | E324 L325 F326 | E322-E324 PolarHBondContact O-N 3.04Å; E322-L325 HydrophobicContact CB-CB 4.16Å; E322-L325 HydrophobicContact CB-CD1 3.97Å; E322-L325 HydrophobicContact CB-CG 4.14Å; E322-L325 HydrophobicContact CG-CD1 4.37Å; E322-L325 PolarHBondContact O-N 3.03Å; E322-F326 PolarHBondContact O-N 3.27Å | ||
| 323 | P | 93.4 | Very high | 96.5 | Very high | 61 Ų | 61 | 80.3 Ų | 80.3 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.1 | -167.1 | 23.3 | -33.7 | 0 | 0 | 0 | 113.9 | Y321 L325 | Y321-P323 HydrophobicContact CE1-CG 4.44Å; Y321-P323 HydrophobicContact CE2-CB 4.25Å; P323-L325 VanDerWaalsContact C-N 3.3Å |
| 324 | E | 95.7 | Very high | 96.5 | Very high | 184 Ų | 184 | 79 Ų | 79 | 86% | 0.86 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -26.1 | 174.3 | -52.2 | -54.9 | 135.8 | 0 | 0 | 112.7 | E322 | E322-E324 PolarHBondContact O-N 3.04Š|
| 325 | L | 95.6 | Very high | 96.3 | Very high | 154 Ų | 154 | 82 Ų | 82 | 81% | 0.806 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -38.9 | 178.1 | -60.1 | 179.8 | 0 | 0 | 0 | 112 | E322 P323 | E322-L325 HydrophobicContact CB-CB 4.16Å; E322-L325 HydrophobicContact CB-CD1 3.97Å; E322-L325 HydrophobicContact CB-CG 4.14Å; E322-L325 HydrophobicContact CG-CD1 4.37Å; E322-L325 PolarHBondContact O-N 3.03Å; P323-L325 VanDerWaalsContact C-N 3.3Å |
| 326 | F | 95.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 80.7 Ų | 80.7 | 32% | 0.32 | 40% | 0.398 | S | S | . | . | trans | -154.4 | 126.8 | -179.8 | -177.8 | -112.5 | 0 | 0 | 0 | 112.1 | E322 G328 I330 L341 F343 | E322-F326 PolarHBondContact O-N 3.27Å; F326-G328 WeakPolarHBondContact CD1-O 3.37Å; F326-G328 PolarHBondContact O-N 3.17Å; F326-I330 HydrophobicContact CD1-CD1 4.5Å; F326-I330 HydrophobicContact CD1-CG1 4.22Å; F326-I330 HydrophobicContact CE1-CG1 4.45Å; F326-L341 HydrophobicContact CE1-CD2 3.64Å; F326-L341 HydrophobicContact CZ-CD2 3.9Å; F326-F343 HydrophobicContact CZ-CE1 4.01Å; F326-F343 AromaticContact CZ-CZ 3.93Å; F326-F343 HydrophobicContact CZ-CZ 3.93Å | ||
| 327 | P | 95.6 | Very high | 96.3 | Very high | 89 Ų | 89 | 84 Ų | 84 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -75.9 | 17.2 | -172.2 | 31.7 | -38.7 | 0 | 0 | 0 | 115.5 | ||
| 328 | G | 96.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 152.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F326 I342 | F326-G328 WeakPolarHBondContact CD1-O 3.37Å; F326-G328 PolarHBondContact O-N 3.17Å; G328-I342 CarbonylContact C-O 3.55Å; G328-I342 WeakPolarHBondContact CA-O 3.31Å |
| 329 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.3 | 173.1 | -179.4 | 151.7 | 0 | 0 | 0 | 109.5 | L308 L311 V312 Y321 Y331 I342 | L308-L329 HydrophobicContact CB-CB 4.4Å; L308-L329 HydrophobicContact CB-CD1 4.23Å; L308-L329 HydrophobicContact CD1-CB 4.04Å; L308-L329 HydrophobicContact CD2-CB 3.97Å; L308-L329 HydrophobicContact CD2-CD1 4.43Å; L308-L329 HydrophobicContact CG-CB 4.36Å; L311-L329 HydrophobicContact CB-CD1 4.15Å; L311-L329 HydrophobicContact CD2-CD1 4Å; L311-L329 HydrophobicContact CD2-CD2 4.16Å; L311-L329 HydrophobicContact CG-CD1 3.97Å; V312-L329 HydrophobicContact CB-CD1 3.87Å; Y321-L329 HydrophobicContact CD2-CB 3.99Å; Y321-L329 HydrophobicContact CG-CB 4.21Å; L329-Y331 HydrophobicContact CD2-CD2 4.21Å; L329-I342 HydrophobicContact CB-CB 4.43Å; L329-I342 HydrophobicContact CD2-CD1 4.26Å; L329-I342 PolarHBondContact N-O 3.19Å; L329-I342 PolarHBondContact O-N 3.05Å |
| 330 | I | 98.3 | Very high | 96.5 | Very high | 46 Ų | 46 | 73.7 Ų | 73.7 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.2 | 173.5 | -56.2 | 175.3 | 0 | 0 | 0 | 107.6 | S319 S320 F326 R332 V339 L340 L341 | S319-I330 CarbonylContact C-O 3.58Å; S319-I330 WeakPolarHBondContact CA-O 3.44Å; S320-I330 PolarHBondContact N-O 2.86Å; S320-I330 PolarHBondContact O-N 3.23Å; F326-I330 HydrophobicContact CD1-CD1 4.5Å; F326-I330 HydrophobicContact CD1-CG1 4.22Å; F326-I330 HydrophobicContact CE1-CG1 4.45Å; I330-R332 HydrophobicContact CG2-CG 4.41Å; I330-V339 HydrophobicContact CG2-CG1 3.89Å; I330-L340 WeakPolarHBondContact CA-O 3.49Å; I330-L341 HydrophobicContact CG1-CD2 4.08Å |
| 331 | Y | 98.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 72.3 Ų | 72.3 | 6% | 0.059 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.1 | 175.9 | -164.3 | -80.2 | 0 | 0 | 0 | 110.2 | H315 F318 S319 L329 M333 V339 L340 I342 I366 | H315-Y331 HydrophobicContact CB-CE2 3.81Å; H315-Y331 AromaticContact CG-CE2 4Å; H315-Y331 AromaticContact ND1-CE2 3.72Å; H315-Y331 AromaticContact ND1-CZ 3.84Å; H315-Y331 PolarHBondContact ND1-OH 3.31Å; F318-Y331 HydrophobicContact CB-CE1 4.09Å; F318-Y331 HydrophobicContact CB-CE2 4.09Å; F318-Y331 CarbonylContact O-C 3.6Å; F318-Y331 WeakPolarHBondContact O-CA 3.49Å; S319-Y331 WeakPolarHBondContact OG-CD2 3.23Å; L329-Y331 HydrophobicContact CD2-CD2 4.21Å; Y331-M333 HydrophobicContact CD1-CB 4.37Å; Y331-M333 HydrophobicContact CE1-CB 4.35Å; Y331-M333 HydrophobicContact CE1-CE 4.4Å; Y331-V339 WeakPolarHBondContact O-CA 3.46Å; Y331-L340 HydrophobicContact CD1-CD1 4.17Å; Y331-L340 PolarHBondContact N-O 2.92Å; Y331-L340 PolarHBondContact O-N 2.94Å; Y331-I342 HydrophobicContact CG-CD1 4.48Å; Y331-I366 HydrophobicContact CD1-CD1 3.96Å; Y331-I366 HydrophobicContact CD2-CD1 4.1Å; Y331-I366 HydrophobicContact CE1-CD1 3.77Å; Y331-I366 HydrophobicContact CE2-CD1 3.89Å; Y331-I366 HydrophobicContact CG-CD1 4.13Å |
| 332 | R | 97.9 | Very high | 96.6 | Very high | 145 Ų | 145 | 70.6 Ų | 70.6 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 92.5 | -177.8 | -60.1 | -179.4 | -173.4 | -94.1 | 4 | 109.2 | F318 I330 | F318-R332 PolarHBondContact O-N 3.39Å; I330-R332 HydrophobicContact CG2-CG 4.41Å |
| 333 | M | 97.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 67 Ų | 67 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | trans | -75.2 | 133.8 | 177.9 | -169.9 | 170.5 | -73.1 | 0 | 0 | 110.5 | Y331 K335 P336 R337 I338 L340 A362 N365 I366 | Y331-M333 HydrophobicContact CD1-CB 4.37Å; Y331-M333 HydrophobicContact CE1-CB 4.35Å; Y331-M333 HydrophobicContact CE1-CE 4.4Å; M333-K335 WeakPolarHBondContact CG-O 3.46Å; M333-P336 CarbonylContact C-O 3.53Å; M333-P336 WeakPolarHBondContact CG-O 3.13Å; M333-R337 WeakPolarHBondContact O-CA 3.5Å; M333-I338 WeakPolarHBondContact CB-O 3.41Å; M333-I338 PolarHBondContact N-O 3.24Å; M333-I338 PolarHBondContact O-N 2.99Å; M333-L340 HydrophobicContact CB-CD1 3.93Å; M333-L340 HydrophobicContact CE-CD1 4.31Å; M333-A362 WeakPolarHBondContact CE-O 3.44Å; M333-A362 HydrophobicContact SD-CB 3.82Å; M333-N365 HydrophobicContact CE-CB 3.87Å; M333-N365 HydrophobicContact SD-CB 4.19Å; M333-I366 HydrophobicContact CE-CB 4.04Å; M333-I366 HydrophobicContact CE-CD1 4.31Å | ||
| 334 | V | 95.4 | Very high | 96.9 | Very high | 109 Ų | 109 | 67 Ų | 67 | 66% | 0.661 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -83.4 | -39.1 | -178.2 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | F318 P336 | F318-V334 HydrophobicContact CD1-CG2 4.12Å; F318-V334 HydrophobicContact CE1-CG2 3.78Å; V334-P336 CarbonylContact C-O 3.59Å |
| 335 | K | 93.3 | Very high | 97 | Very high | 156 Ų | 156 | 61.4 Ų | 61.4 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -137.3 | 120.4 | 177.4 | -172.3 | -171.7 | 172.4 | -168.3 | 0 | 110.8 | M333 | M333-K335 WeakPolarHBondContact CG-O 3.46Š|
| 336 | P | 95.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | S | Bend | cis | -59.8 | 162.3 | -18 | 28.7 | -34.2 | 0 | 0 | 0 | 110.4 | M333 V334 I338 E358 E361 A362 | M333-P336 CarbonylContact C-O 3.53Å; M333-P336 WeakPolarHBondContact CG-O 3.13Å; V334-P336 CarbonylContact C-O 3.59Å; P336-I338 VanDerWaalsContact C-N 3.28Å; P336-I338 HydrophobicContact CB-CG1 4.06Å; P336-I338 HydrophobicContact CG-CG1 3.84Å; P336-I338 PolarHBondContact O-N 2.81Å; P336-E358 HydrophobicContact CB-CB 3.97Å; P336-E358 HydrophobicContact CB-CG 4.15Å; P336-E358 HydrophobicContact CG-CB 4.15Å; P336-E358 VanDerWaalsContact CG-O 3.31Å; P336-E358 WeakPolarHBondContact CG-O 3.38Å; P336-E361 HydrophobicContact CG-CB 4.19Å; P336-E361 HydrophobicContact CG-CG 4.34Å; P336-A362 HydrophobicContact CG-CB 4Å |
| 337 | R | 96.5 | Very high | 97.2 | Very high | 218 Ų | 218 | 54.8 Ų | 54.8 | 82% | 0.823 | 27% | 0.268 | S | S | * | . | trans | -78.6 | 76 | -173.6 | -172.3 | -179.9 | 168 | 171 | -3.8 | 111.3 | M333 | M333-R337 WeakPolarHBondContact O-CA 3.5Š| ||
| 338 | I | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -118.4 | 142.5 | -171.2 | -61.2 | -57.4 | 0 | 0 | 0 | 110.9 | M333 P336 L340 L350 A353 E358 A362 | M333-I338 WeakPolarHBondContact CB-O 3.41Å; M333-I338 PolarHBondContact N-O 3.24Å; M333-I338 PolarHBondContact O-N 2.99Å; P336-I338 VanDerWaalsContact C-N 3.28Å; P336-I338 HydrophobicContact CB-CG1 4.06Å; P336-I338 HydrophobicContact CG-CG1 3.84Å; P336-I338 PolarHBondContact O-N 2.81Å; I338-L340 HydrophobicContact CB-CD1 4.46Å; I338-L340 HydrophobicContact CG2-CD1 3.96Å; I338-L340 HydrophobicContact CG2-CG 4.17Å; I338-L350 HydrophobicContact CG2-CB 4.18Å; I338-L350 HydrophobicContact CG2-CD2 4.45Å; I338-A353 VanDerWaalsContact CD1-CA 3.5Å; I338-A353 HydrophobicContact CD1-CB 3.59Å; I338-E358 HydrophobicContact CD1-CB 4.14Å; I338-E358 HydrophobicContact CG1-CB 4.48Å; I338-A362 HydrophobicContact CB-CB 4.09Å; I338-A362 HydrophobicContact CG1-CB 4Å; I338-A362 HydrophobicContact CG2-CB 4.05Å | ||
| 339 | V | 98.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129 | 167.7 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | I330 Y331 T351 | I330-V339 HydrophobicContact CG2-CG1 3.89Å; Y331-V339 WeakPolarHBondContact O-CA 3.46Å; V339-T351 HydrophobicContact CB-CG2 4.11Å; V339-T351 PolarHBondContact N-O 2.85Å; V339-T351 PolarHBondContact O-N 3.14Å |
| 340 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.5 | 175.9 | -54.1 | 86.8 | 0 | 0 | 0 | 109.9 | I330 Y331 M333 I338 I342 V348 V349 L350 I366 | I330-L340 WeakPolarHBondContact CA-O 3.49Å; Y331-L340 HydrophobicContact CD1-CD1 4.17Å; Y331-L340 PolarHBondContact N-O 2.92Å; Y331-L340 PolarHBondContact O-N 2.94Å; M333-L340 HydrophobicContact CB-CD1 3.93Å; M333-L340 HydrophobicContact CE-CD1 4.31Å; I338-L340 HydrophobicContact CB-CD1 4.46Å; I338-L340 HydrophobicContact CG2-CD1 3.96Å; I338-L340 HydrophobicContact CG2-CG 4.17Å; L340-I342 HydrophobicContact CB-CD1 4.37Å; L340-I342 HydrophobicContact CB-CG1 4.16Å; L340-V348 HydrophobicContact CB-CG1 4.39Å; L340-V348 HydrophobicContact CD2-CG1 4.23Å; L340-V349 CarbonylContact C-O 3.44Å; L340-V349 VanDerWaalsContact CA-O 3.27Å; L340-V349 WeakPolarHBondContact CA-O 3.38Å; L340-L350 HydrophobicContact CD2-CD2 3.62Å; L340-L350 HydrophobicContact CD2-CG 3.91Å; L340-L350 HydrophobicContact CG-CD2 4.05Å; L340-L350 HydrophobicContact CG-CG 4.04Å; L340-I366 HydrophobicContact CD2-CB 4.13Å; L340-I366 HydrophobicContact CD2-CG1 4.25Å; L340-I366 HydrophobicContact CD2-CG2 3.74Å |
| 341 | L | 98.2 | Very high | 97.3 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 110.1 | 176.1 | -61.3 | 154.5 | 0 | 0 | 0 | 106.8 | F326 I330 F343 V348 V349 | F326-L341 HydrophobicContact CE1-CD2 3.64Å; F326-L341 HydrophobicContact CZ-CD2 3.9Å; I330-L341 HydrophobicContact CG1-CD2 4.08Å; L341-F343 HydrophobicContact CB-CE2 4.22Å; L341-V348 WeakPolarHBondContact O-CA 3.3Å; L341-V349 HydrophobicContact CB-CB 4.25Å; L341-V349 HydrophobicContact CD1-CB 4.26Å; L341-V349 HydrophobicContact CD1-CG1 4.34Å; L341-V349 PolarHBondContact N-O 3.2Å; L341-V349 PolarHBondContact O-N 2.78Å |
| 342 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.8 | -165.8 | -49.6 | -173.3 | 0 | 0 | 0 | 109 | I306 L308 L311 G328 L329 Y331 L340 V348 I366 L370 | I306-I342 HydrophobicContact CD1-CG2 3.85Å; L308-I342 WeakPolarHBondContact CD1-O 3.49Å; L308-I342 HydrophobicContact CD2-CB 4.38Å; L308-I342 HydrophobicContact CD2-CG2 3.88Å; L311-I342 HydrophobicContact CD2-CD1 4.41Å; G328-I342 CarbonylContact C-O 3.55Å; G328-I342 WeakPolarHBondContact CA-O 3.31Å; L329-I342 HydrophobicContact CB-CB 4.43Å; L329-I342 HydrophobicContact CD2-CD1 4.26Å; L329-I342 PolarHBondContact N-O 3.19Å; L329-I342 PolarHBondContact O-N 3.05Å; Y331-I342 HydrophobicContact CG-CD1 4.48Å; L340-I342 HydrophobicContact CB-CD1 4.37Å; L340-I342 HydrophobicContact CB-CG1 4.16Å; I342-V348 HydrophobicContact CG1-CG1 4.33Å; I342-V348 HydrophobicContact CG2-CG2 4.21Å; I342-I366 HydrophobicContact CD1-CG1 4.23Å; I342-L370 HydrophobicContact CD1-CD1 4.46Å; I342-L370 HydrophobicContact CD1-CD2 4Å; I342-L370 HydrophobicContact CG2-CD1 4.3Å; I342-L370 HydrophobicContact CG2-CD2 4.11Å |
| 343 | F | 98.2 | Very high | 97.1 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 23% | 0.228 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 150.1 | -175.6 | -62.3 | -84.6 | 0 | 0 | 0 | 111.8 | F326 L341 S345 G346 K347 V349 | F326-F343 HydrophobicContact CZ-CE1 4.01Å; F326-F343 AromaticContact CZ-CZ 3.93Å; F326-F343 HydrophobicContact CZ-CZ 3.93Å; L341-F343 HydrophobicContact CB-CE2 4.22Å; F343-S345 PolarHBondContact O-N 2.84Å; F343-G346 PolarHBondContact O-N 2.83Å; F343-K347 HydrophobicContact CB-CB 4.47Å; F343-K347 HydrophobicContact CD2-CB 4.32Å; F343-K347 WeakPolarHBondContact CD2-O 3.49Å; F343-K347 PolarHBondContact N-O 2.89Å; F343-V349 HydrophobicContact CE2-CG2 4.44Å |
| 344 | V | 97.3 | Very high | 97 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 38% | 0.382 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -22.8 | 178.9 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | P305 I306 L308 G346 | P305-V344 CarbonylContact C-O 3.55Å; P305-V344 WeakPolarHBondContact CA-O 3.42Å; P305-V344 WeakPolarHBondContact CB-O 3.21Å; I306-V344 PolarHBondContact N-O 3.37Å; L308-V344 HydrophobicContact CD1-CG1 3.53Å; L308-V344 HydrophobicContact CG-CG1 3.92Å; V344-G346 VanDerWaalsContact C-N 3.35Å |
| 345 | S | 97.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 50 Ų | 50 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.2 | 179.2 | 54.9 | 0 | 0 | 0 | 0 | 115 | F343 | F343-S345 PolarHBondContact O-N 2.84Š|
| 346 | G | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 91.7 | -4.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D301 V302 F304 F343 V344 | D301-G346 WeakPolarHBondContact CA-O 3.49Å; V302-G346 WeakPolarHBondContact CG2-O 3.47Å; V302-G346 PolarHBondContact N-O 3.05Å; F304-G346 VanDerWaalsContact O-CA 3.23Å; F304-G346 WeakPolarHBondContact O-CA 3.14Å; F343-G346 PolarHBondContact O-N 2.83Å; V344-G346 VanDerWaalsContact C-N 3.35Å |
| 347 | K | 97.8 | Very high | 97.3 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 138.5 | 170.3 | -63.8 | -173.9 | -178 | -175.9 | 0 | 110.3 | F94 D301 F343 | F94-K347 HydrophobicContact CE1-CD 4.28Å; F94-K347 HydrophobicContact CZ-CD 4.32Å; D301-K347 HydrophobicContact CB-CG 4.39Å; F343-K347 HydrophobicContact CB-CB 4.47Å; F343-K347 HydrophobicContact CD2-CB 4.32Å; F343-K347 WeakPolarHBondContact CD2-O 3.49Å; F343-K347 PolarHBondContact N-O 2.89Å |
| 348 | V | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.8 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | S299 C300 V302 L340 L341 I342 L350 L370 | S299-V348 CarbonylContact C-O 3.46Å; S299-V348 VanDerWaalsContact CA-O 3.24Å; S299-V348 WeakPolarHBondContact CA-O 3.3Å; S299-V348 WeakPolarHBondContact CB-O 3.43Å; C300-V348 PolarHBondContact N-O 3.49Å; C300-V348 PolarHBondContact O-N 3.04Å; V302-V348 HydrophobicContact CG1-CG2 4.45Å; L340-V348 HydrophobicContact CB-CG1 4.39Å; L340-V348 HydrophobicContact CD2-CG1 4.23Å; L341-V348 WeakPolarHBondContact O-CA 3.3Å; I342-V348 HydrophobicContact CG1-CG1 4.33Å; I342-V348 HydrophobicContact CG2-CG2 4.21Å; V348-L350 HydrophobicContact CG1-CD1 4.06Å; V348-L350 HydrophobicContact CG1-CG 4.35Å; V348-L370 HydrophobicContact CG2-CD1 3.99Å |
| 349 | V | 98.3 | Very high | 97.3 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.3 | 169.9 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | V297 G298 L340 L341 F343 | V297-V349 HydrophobicContact CG1-CG1 3.73Å; G298-V349 WeakPolarHBondContact O-CA 3.35Å; L340-V349 CarbonylContact C-O 3.44Å; L340-V349 VanDerWaalsContact CA-O 3.27Å; L340-V349 WeakPolarHBondContact CA-O 3.38Å; L341-V349 HydrophobicContact CB-CB 4.25Å; L341-V349 HydrophobicContact CD1-CB 4.26Å; L341-V349 HydrophobicContact CD1-CG1 4.34Å; L341-V349 PolarHBondContact N-O 3.2Å; L341-V349 PolarHBondContact O-N 2.78Å; F343-V349 HydrophobicContact CE2-CG2 4.44Å |
| 350 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.4 | -179.9 | -57.2 | 92.3 | 0 | 0 | 0 | 108.9 | V297 G298 I338 L340 V348 I359 A362 F363 | V297-L350 CarbonylContact C-O 3.6Å; V297-L350 WeakPolarHBondContact CA-O 3.43Å; G298-L350 PolarHBondContact N-O 2.86Å; G298-L350 PolarHBondContact O-N 2.83Å; I338-L350 HydrophobicContact CG2-CB 4.18Å; I338-L350 HydrophobicContact CG2-CD2 4.45Å; L340-L350 HydrophobicContact CD2-CD2 3.62Å; L340-L350 HydrophobicContact CD2-CG 3.91Å; L340-L350 HydrophobicContact CG-CD2 4.05Å; L340-L350 HydrophobicContact CG-CG 4.04Å; V348-L350 HydrophobicContact CG1-CD1 4.06Å; V348-L350 HydrophobicContact CG1-CG 4.35Å; L350-I359 HydrophobicContact CB-CG2 4.42Å; L350-I359 HydrophobicContact CD2-CG2 4.4Å; L350-A362 HydrophobicContact CD2-CB 3.87Å; L350-F363 HydrophobicContact CD2-CB 4.39Å |
| 351 | T | 97.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.2 | -177 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | N295 V339 | N295-T351 PolarHBondContact ND2-OG1 2.96Å; N295-T351 VanDerWaalsContact ND2-OG1 3.12Å; V339-T351 HydrophobicContact CB-CG2 4.11Å; V339-T351 PolarHBondContact N-O 2.85Å; V339-T351 PolarHBondContact O-N 3.14Å |
| 352 | G | 94.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.3 | -7.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N295 | N295-G352 VanDerWaalsContact OD1-CA 3.3Å; N295-G352 WeakPolarHBondContact OD1-CA 3.03Å; N295-G352 PolarHBondContact OD1-N 2.96Å |
| 353 | A | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 144.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N295 M296 I338 E358 I359 | N295-A353 CarbonylContact C-O 3.51Å; N295-A353 VanDerWaalsContact CA-O 3.25Å; N295-A353 WeakPolarHBondContact CA-O 3.38Å; M296-A353 HydrophobicContact CB-CB 4.21Å; M296-A353 PolarHBondContact N-O 2.94Å; I338-A353 VanDerWaalsContact CD1-CA 3.5Å; I338-A353 HydrophobicContact CD1-CB 3.59Å; A353-E358 WeakPolarHBondContact CA-OE2 3.4Å; A353-E358 HydrophobicContact CB-CB 4.15Å; A353-I359 HydrophobicContact CB-CD1 3.92Å; A353-I359 HydrophobicContact CB-CG1 3.52Å |
| 354 | K | 96.1 | Very high | 96.9 | Very high | 114 Ų | 114 | 49.9 Ų | 49.9 | 50% | 0.496 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -108.1 | -21.4 | 169.3 | -73.8 | 159.5 | -174.6 | 159.9 | 0 | 111.7 | Q294 E358 | Q294-K354 WeakPolarHBondContact O-CG 3.3Å; K354-E358 PolarHBondContact N-OE2 3.37Å |
| 355 | E | 96.6 | Very high | 96.9 | Very high | 126 Ų | 126 | 50.5 Ų | 50.5 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -125 | 148.1 | 174.2 | -60.2 | -171.4 | 177.6 | 0 | 0 | 111.8 | S357 E358 | E355-S357 VanDerWaalsContact CB-OG 3.24Å; E355-S357 WeakPolarHBondContact CB-OG 3.46Å; E355-S357 PolarHBondContact O-N 3.17Å; E355-S357 PolarHBondContact OE2-OG 3.08Å; E355-E358 HydrophobicContact CB-CG 4.4Å; E355-E358 PolarHBondContact N-OE2 3.08Å; E355-E358 PolarHBondContact O-N 2.93Å |
| 356 | R | 95.8 | Very high | 96.8 | Very high | 115 Ų | 115 | 47.4 Ų | 47.4 | 43% | 0.434 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -29.5 | -179.3 | -172.2 | 177.8 | 172 | 179.7 | -8.4 | 113.2 | L203 M296 E358 I359 Y360 | L203-R356 HydrophobicContact CD1-CG 4.13Å; M296-R356 HydrophobicContact CE-CB 3.99Å; R356-E358 VanDerWaalsContact C-N 3.35Å; R356-I359 PolarHBondContact O-N 2.98Å; R356-Y360 HydrophobicContact CG-CD2 4.37Å; R356-Y360 HydrophobicContact CG-CE2 3.7Å; R356-Y360 PolarHBondContact NE-OH 3.16Å; R356-Y360 PolarHBondContact NH2-OH 3.25Å; R356-Y360 WeakPolarHBondContact O-CD2 3.49Å |
| 357 | S | 96.7 | Very high | 96.8 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 44% | 0.441 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.3 | -45.6 | 172 | 37.2 | 0 | 0 | 0 | 0 | 112.4 | E355 I359 Y360 E361 | E355-S357 VanDerWaalsContact CB-OG 3.24Å; E355-S357 WeakPolarHBondContact CB-OG 3.46Å; E355-S357 PolarHBondContact O-N 3.17Å; E355-S357 PolarHBondContact OE2-OG 3.08Å; S357-I359 VanDerWaalsContact C-N 3.25Å; S357-I359 PolarHBondContact O-N 3.25Å; S357-Y360 PolarHBondContact O-N 3.49Å; S357-E361 PolarHBondContact O-N 3.5Å |
| 358 | E | 97.4 | Very high | 96.8 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -31.2 | -177.3 | -59.6 | 175.2 | 118.5 | 0 | 0 | 112.4 | P336 I338 A353 K354 E355 R356 A362 | P336-E358 HydrophobicContact CB-CB 3.97Å; P336-E358 HydrophobicContact CB-CG 4.15Å; P336-E358 HydrophobicContact CG-CB 4.15Å; P336-E358 VanDerWaalsContact CG-O 3.31Å; P336-E358 WeakPolarHBondContact CG-O 3.38Å; I338-E358 HydrophobicContact CD1-CB 4.14Å; I338-E358 HydrophobicContact CG1-CB 4.48Å; A353-E358 WeakPolarHBondContact CA-OE2 3.4Å; A353-E358 HydrophobicContact CB-CB 4.15Å; K354-E358 PolarHBondContact N-OE2 3.37Å; E355-E358 HydrophobicContact CB-CG 4.4Å; E355-E358 PolarHBondContact N-OE2 3.08Å; E355-E358 PolarHBondContact O-N 2.93Å; R356-E358 VanDerWaalsContact C-N 3.35Å; E358-A362 WeakPolarHBondContact O-CB 3.34Å; E358-A362 PolarHBondContact O-N 3.11Å |
| 359 | I | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.6 | -35.3 | 176.1 | -64.6 | 173.5 | 0 | 0 | 0 | 110.9 | P201 L203 M296 L350 A353 R356 S357 F363 | P201-I359 HydrophobicContact CB-CG2 3.8Å; P201-I359 HydrophobicContact CG-CG2 4.48Å; L203-I359 HydrophobicContact CD2-CD1 3.57Å; M296-I359 HydrophobicContact CB-CD1 3.87Å; L350-I359 HydrophobicContact CB-CG2 4.42Å; L350-I359 HydrophobicContact CD2-CG2 4.4Å; A353-I359 HydrophobicContact CB-CD1 3.92Å; A353-I359 HydrophobicContact CB-CG1 3.52Å; R356-I359 PolarHBondContact O-N 2.98Å; S357-I359 VanDerWaalsContact C-N 3.25Å; S357-I359 PolarHBondContact O-N 3.25Å; I359-F363 WeakPolarHBondContact O-CB 3.5Å; I359-F363 PolarHBondContact O-N 3.05Å; I359-F363 VanDerWaalsContact O-N 3.16Å |
| 360 | Y | 96.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.5 | -47.3 | 177 | -63.4 | -45.5 | 0 | 0 | 0 | 111.7 | V200 P201 R356 S357 A362 F363 E364 | V200-Y360 HydrophobicContact CG1-CD1 4.5Å; V200-Y360 HydrophobicContact CG1-CE1 3.65Å; P201-Y360 HydrophobicContact CB-CD1 4.19Å; P201-Y360 HydrophobicContact CB-CE1 3.94Å; P201-Y360 HydrophobicContact CG-CD1 4.02Å; P201-Y360 HydrophobicContact CG-CE1 4.18Å; P201-Y360 WeakPolarHBondContact O-CE1 3.12Å; P201-Y360 PolarHBondContact O-OH 3.35Å; R356-Y360 HydrophobicContact CG-CD2 4.37Å; R356-Y360 HydrophobicContact CG-CE2 3.7Å; R356-Y360 PolarHBondContact NE-OH 3.16Å; R356-Y360 PolarHBondContact NH2-OH 3.25Å; R356-Y360 WeakPolarHBondContact O-CD2 3.49Å; S357-Y360 PolarHBondContact O-N 3.49Å; Y360-A362 VanDerWaalsContact C-N 3.32Å; Y360-A362 PolarHBondContact O-N 3.14Å; Y360-F363 PolarHBondContact O-N 2.87Å; Y360-F363 VanDerWaalsContact O-N 3.09Å; Y360-E364 WeakPolarHBondContact O-CG 3.43Å; Y360-E364 PolarHBondContact O-N 3.1Å |
| 361 | E | 96.9 | Very high | 96.5 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 35% | 0.35 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 174.4 | -172.5 | -173.3 | 169.6 | 0 | 0 | 111.3 | P336 S357 F363 E364 N365 | P336-E361 HydrophobicContact CG-CB 4.19Å; P336-E361 HydrophobicContact CG-CG 4.34Å; S357-E361 PolarHBondContact O-N 3.5Å; E361-F363 VanDerWaalsContact C-N 3.34Å; E361-F363 PolarHBondContact O-N 2.93Å; E361-E364 PolarHBondContact O-N 3.49Å; E361-N365 WeakPolarHBondContact O-CB 3.19Å; E361-N365 VanDerWaalsContact O-CG 3.24Å; E361-N365 PolarHBondContact O-N 3.26Å; E361-N365 PolarHBondContact O-ND2 2.73Å |
| 362 | A | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | M333 P336 I338 L350 E358 Y360 I366 | M333-A362 WeakPolarHBondContact CE-O 3.44Å; M333-A362 HydrophobicContact SD-CB 3.82Å; P336-A362 HydrophobicContact CG-CB 4Å; I338-A362 HydrophobicContact CB-CB 4.09Å; I338-A362 HydrophobicContact CG1-CB 4Å; I338-A362 HydrophobicContact CG2-CB 4.05Å; L350-A362 HydrophobicContact CD2-CB 3.87Å; E358-A362 WeakPolarHBondContact O-CB 3.34Å; E358-A362 PolarHBondContact O-N 3.11Å; Y360-A362 VanDerWaalsContact C-N 3.32Å; Y360-A362 PolarHBondContact O-N 3.14Å; A362-I366 WeakPolarHBondContact O-CG2 3.37Å; A362-I366 PolarHBondContact O-N 2.85Å; A362-I366 VanDerWaalsContact O-N 3.13Å |
| 363 | F | 96.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 55.2 Ų | 55.2 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.2 | -43.3 | 177.7 | -176.8 | -107 | 0 | 0 | 0 | 112.2 | I199 P201 C300 V302 L350 I359 Y360 E361 N365 I366 Y367 | I199-F363 HydrophobicContact CB-CE1 4.45Å; I199-F363 HydrophobicContact CB-CZ 4.32Å; I199-F363 HydrophobicContact CG2-CE1 4.38Å; I199-F363 HydrophobicContact CG2-CZ 3.94Å; I199-F363 WeakPolarHBondContact O-CE1 3.31Å; P201-F363 HydrophobicContact CG-CB 3.55Å; P201-F363 HydrophobicContact CG-CD1 3.74Å; P201-F363 HydrophobicContact CG-CD2 4.16Å; P201-F363 HydrophobicContact CG-CG 3.52Å; C300-F363 HydrophobicContact CB-CE2 4.29Å; C300-F363 WeakPolarHBondContact SG-CD2 3.42Å; C300-F363 WeakPolarHBondContact SG-CE2 3.27Å; V302-F363 HydrophobicContact CG1-CE2 4.05Å; V302-F363 HydrophobicContact CG1-CZ 4.28Å; L350-F363 HydrophobicContact CD2-CB 4.39Å; I359-F363 WeakPolarHBondContact O-CB 3.5Å; I359-F363 PolarHBondContact O-N 3.05Å; I359-F363 VanDerWaalsContact O-N 3.16Å; Y360-F363 PolarHBondContact O-N 2.87Å; Y360-F363 VanDerWaalsContact O-N 3.09Å; E361-F363 VanDerWaalsContact C-N 3.34Å; E361-F363 PolarHBondContact O-N 2.93Å; F363-N365 VanDerWaalsContact C-N 3.28Å; F363-N365 PolarHBondContact O-N 3.48Å; F363-I366 HydrophobicContact CD2-CG2 4.33Å; F363-I366 PolarHBondContact O-N 2.82Å; F363-Y367 HydrophobicContact CE1-CD2 4.32Å; F363-Y367 HydrophobicContact CE1-CG 4.41Å; F363-Y367 HydrophobicContact CE2-CD2 4.29Å; F363-Y367 AromaticContact CZ-CD2 3.7Å; F363-Y367 HydrophobicContact CZ-CD2 3.7Å; F363-Y367 HydrophobicContact CZ-CG 4.17Å; F363-Y367 WeakPolarHBondContact O-CB 3.27Å; F363-Y367 PolarHBondContact O-N 2.99Å |
| 364 | E | 95.8 | Very high | 96.4 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 64% | 0.64 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61 | -37.8 | 176.2 | -72.2 | 176.5 | -179.7 | 0 | 0 | 111.9 | Y360 E361 P368 | Y360-E364 WeakPolarHBondContact O-CG 3.43Å; Y360-E364 PolarHBondContact O-N 3.1Å; E361-E364 PolarHBondContact O-N 3.49Å; E364-P368 WeakPolarHBondContact O-CD 3.35Å |
| 365 | N | 95.8 | Very high | 96.1 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 175 | -75.1 | -28.5 | 0 | 0 | 0 | 113.3 | M333 E361 F363 | M333-N365 HydrophobicContact CE-CB 3.87Å; M333-N365 HydrophobicContact SD-CB 4.19Å; E361-N365 WeakPolarHBondContact O-CB 3.19Å; E361-N365 VanDerWaalsContact O-CG 3.24Å; E361-N365 PolarHBondContact O-N 3.26Å; E361-N365 PolarHBondContact O-ND2 2.73Å; F363-N365 VanDerWaalsContact C-N 3.28Å; F363-N365 PolarHBondContact O-N 3.48Å |
| 366 | I | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -83.2 | -32.9 | -176.3 | -155.6 | 65 | 0 | 0 | 0 | 113 | Y331 M333 L340 I342 A362 F363 I369 L370 | Y331-I366 HydrophobicContact CD1-CD1 3.96Å; Y331-I366 HydrophobicContact CD2-CD1 4.1Å; Y331-I366 HydrophobicContact CE1-CD1 3.77Å; Y331-I366 HydrophobicContact CE2-CD1 3.89Å; Y331-I366 HydrophobicContact CG-CD1 4.13Å; M333-I366 HydrophobicContact CE-CB 4.04Å; M333-I366 HydrophobicContact CE-CD1 4.31Å; L340-I366 HydrophobicContact CD2-CB 4.13Å; L340-I366 HydrophobicContact CD2-CG1 4.25Å; L340-I366 HydrophobicContact CD2-CG2 3.74Å; I342-I366 HydrophobicContact CD1-CG1 4.23Å; A362-I366 WeakPolarHBondContact O-CG2 3.37Å; A362-I366 PolarHBondContact O-N 2.85Å; A362-I366 VanDerWaalsContact O-N 3.13Å; F363-I366 HydrophobicContact CD2-CG2 4.33Å; F363-I366 PolarHBondContact O-N 2.82Å; I366-I369 HydrophobicContact CD1-CD1 4.15Å; I366-I369 WeakPolarHBondContact O-CB 3.38Å; I366-I369 PolarHBondContact O-N 2.9Å; I366-I369 VanDerWaalsContact O-N 3.07Å; I366-L370 HydrophobicContact CG1-CD1 4.24Å; I366-L370 HydrophobicContact CG1-CD2 4.21Å; I366-L370 HydrophobicContact CG1-CG 4.05Å; I366-L370 HydrophobicContact CG2-CD1 4.18Å; I366-L370 WeakPolarHBondContact O-CG 3.41Å; I366-L370 PolarHBondContact O-N 3Å |
| 367 | Y | 96.7 | Very high | 95.1 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.6 | -47.6 | -173.3 | 178 | -98.9 | 0 | 0 | 0 | 115.1 | C197 V302 F304 F363 I369 L370 K371 | C197-Y367 HydrophobicContact CB-CD1 4.14Å; C197-Y367 HydrophobicContact CB-CE1 3.51Å; C197-Y367 HydrophobicContact CB-CE2 4.06Å; C197-Y367 VanDerWaalsContact CB-CZ 3.48Å; C197-Y367 PolarHBondContact SG-OH 3.21Å; C197-Y367 VanDerWaalsContact SG-OH 3.32Å; V302-Y367 HydrophobicContact CB-CE2 4.24Å; V302-Y367 HydrophobicContact CG1-CD2 4.09Å; V302-Y367 HydrophobicContact CG1-CE2 4.31Å; F304-Y367 HydrophobicContact CE1-CE2 4.07Å; F304-Y367 HydrophobicContact CZ-CE2 4.27Å; F363-Y367 HydrophobicContact CE1-CD2 4.32Å; F363-Y367 HydrophobicContact CE1-CG 4.41Å; F363-Y367 HydrophobicContact CE2-CD2 4.29Å; F363-Y367 AromaticContact CZ-CD2 3.7Å; F363-Y367 HydrophobicContact CZ-CD2 3.7Å; F363-Y367 HydrophobicContact CZ-CG 4.17Å; F363-Y367 WeakPolarHBondContact O-CB 3.27Å; F363-Y367 PolarHBondContact O-N 2.99Å; Y367-I369 VanDerWaalsContact C-N 3.27Å; Y367-I369 PolarHBondContact O-N 3.23Å; Y367-L370 PolarHBondContact O-N 3.18Å; Y367-K371 HydrophobicContact CE1-CD 4.24Å; Y367-K371 PolarHBondContact O-N 3.43Å |
| 368 | P | 96.2 | Very high | 95 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 178.6 | 24.9 | -34 | 0 | 0 | 0 | 112.7 | E364 K371 G372 | E364-P368 WeakPolarHBondContact O-CD 3.35Å; P368-K371 PolarHBondContact O-N 3.05Å; P368-G372 PolarHBondContact O-N 3.12Å |
| 369 | I | 96.1 | Very high | 94.8 | Very high | 46 Ų | 46 | 57.2 Ų | 57.2 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -49.7 | 174 | -61 | 161.3 | 0 | 0 | 0 | 109.3 | L311 I366 Y367 K371 G372 F373 | L311-I369 HydrophobicContact CD1-CG2 3.76Å; I366-I369 HydrophobicContact CD1-CD1 4.15Å; I366-I369 WeakPolarHBondContact O-CB 3.38Å; I366-I369 PolarHBondContact O-N 2.9Å; I366-I369 VanDerWaalsContact O-N 3.07Å; Y367-I369 VanDerWaalsContact C-N 3.27Å; Y367-I369 PolarHBondContact O-N 3.23Å; I369-K371 VanDerWaalsContact C-N 3.31Å; I369-K371 PolarHBondContact O-N 2.63Å; I369-G372 WeakPolarHBondContact O-CA 3.5Å; I369-G372 PolarHBondContact O-N 3.28Å; I369-F373 HydrophobicContact CG2-CD2 3.99Å; I369-F373 HydrophobicContact CG2-CE2 3.94Å; I369-F373 VanDerWaalsContact O-CD2 3.3Å; I369-F373 WeakPolarHBondContact O-CD2 3.44Å; I369-F373 PolarHBondContact O-N 2.81Å |
| 370 | L | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 179 | -57.3 | -175.3 | 0 | 0 | 0 | 112.3 | V302 F304 I306 L311 I342 V348 I366 Y367 G372 F373 K374 | V302-L370 HydrophobicContact CG1-CD1 4.37Å; F304-L370 WeakPolarHBondContact CE2-O 3.31Å; I306-L370 HydrophobicContact CD1-CB 4.2Å; I306-L370 HydrophobicContact CD1-CD1 4.07Å; I306-L370 HydrophobicContact CD1-CD2 4.32Å; I306-L370 HydrophobicContact CD1-CG 4.4Å; I306-L370 HydrophobicContact CG2-CD2 4.47Å; L311-L370 HydrophobicContact CD2-CD2 3.69Å; I342-L370 HydrophobicContact CD1-CD1 4.46Å; I342-L370 HydrophobicContact CD1-CD2 4Å; I342-L370 HydrophobicContact CG2-CD1 4.3Å; I342-L370 HydrophobicContact CG2-CD2 4.11Å; V348-L370 HydrophobicContact CG2-CD1 3.99Å; I366-L370 HydrophobicContact CG1-CD1 4.24Å; I366-L370 HydrophobicContact CG1-CD2 4.21Å; I366-L370 HydrophobicContact CG1-CG 4.05Å; I366-L370 HydrophobicContact CG2-CD1 4.18Å; I366-L370 WeakPolarHBondContact O-CG 3.41Å; I366-L370 PolarHBondContact O-N 3Å; Y367-L370 PolarHBondContact O-N 3.18Å; L370-G372 VanDerWaalsContact C-N 3.26Å; L370-G372 PolarHBondContact O-N 3.01Å; L370-F373 CarbonylContact O-C 3.57Å; L370-F373 PolarHBondContact O-N 3.11Å; L370-K374 PolarHBondContact O-N 3.29Å |
| 371 | K | 95.7 | Very high | 94.6 | Very high | 95 Ų | 95 | 61 Ų | 61 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -36.7 | 173.9 | -172.9 | 175.6 | 176.6 | 175.2 | 0 | 112 | E195 F304 Y367 P368 I369 K374 | E195-K371 IonicContact OE2-NZ 2.85Å; E195-K371 PolarHBondContact OE2-NZ 2.92Å; F304-K371 HydrophobicContact CZ-CB 4.17Å; Y367-K371 HydrophobicContact CE1-CD 4.24Å; Y367-K371 PolarHBondContact O-N 3.43Å; P368-K371 PolarHBondContact O-N 3.05Å; I369-K371 VanDerWaalsContact C-N 3.31Å; I369-K371 PolarHBondContact O-N 2.63Å; K371-K374 WeakPolarHBondContact O-CB 3.44Å |
| 372 | G | 95.4 | Very high | 94.4 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.5 | -31.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P368 I369 L370 | P368-G372 PolarHBondContact O-N 3.12Å; I369-G372 WeakPolarHBondContact O-CA 3.5Å; I369-G372 PolarHBondContact O-N 3.28Å; L370-G372 VanDerWaalsContact C-N 3.26Å; L370-G372 PolarHBondContact O-N 3.01Å |
| 373 | F | 96.2 | Very high | 94.2 | Very high | 38 Ų | 38 | 64.4 Ų | 64.4 | 17% | 0.167 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 15.6 | 177.6 | -70.2 | -73.6 | 0 | 0 | 0 | 114.5 | I306 R307 G310 L311 T314 I369 L370 K375 | I306-F373 HydrophobicContact CG2-CB 4.11Å; R307-F373 WeakPolarHBondContact CB-O 3.37Å; R307-F373 PolarHBondContact N-O 3.07Å; G310-F373 WeakPolarHBondContact O-CE1 3.3Å; L311-F373 HydrophobicContact CB-CD1 4.43Å; L311-F373 HydrophobicContact CB-CD2 4.17Å; L311-F373 HydrophobicContact CB-CE2 4.48Å; L311-F373 HydrophobicContact CB-CG 4.15Å; L311-F373 HydrophobicContact CD1-CD2 3.68Å; L311-F373 HydrophobicContact CD1-CE2 3.73Å; L311-F373 HydrophobicContact CD1-CG 4.49Å; L311-F373 HydrophobicContact CG-CD2 4.47Å; T314-F373 HydrophobicContact CG2-CZ 4.03Å; T314-F373 WeakPolarHBondContact OG1-CZ 3.12Å; I369-F373 HydrophobicContact CG2-CD2 3.99Å; I369-F373 HydrophobicContact CG2-CE2 3.94Å; I369-F373 VanDerWaalsContact O-CD2 3.3Å; I369-F373 WeakPolarHBondContact O-CD2 3.44Å; I369-F373 PolarHBondContact O-N 2.81Å; L370-F373 CarbonylContact O-C 3.57Å; L370-F373 PolarHBondContact O-N 3.11Å; F373-K375 PolarHBondContact O-N 3.08Å |
| 374 | K | 95.8 | Very high | 94 | Very high | 111 Ų | 111 | 68.5 Ų | 68.5 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -53.6 | 133.2 | 172.4 | 176.3 | 172.6 | 174.4 | -174.4 | 0 | 110.9 | F304 P305 L370 K371 | F304-K374 HydrophobicContact CB-CD 3.9Å; F304-K374 HydrophobicContact CB-CG 4.1Å; F304-K374 HydrophobicContact CD2-CB 3.75Å; F304-K374 HydrophobicContact CD2-CD 4.09Å; F304-K374 HydrophobicContact CD2-CG 3.78Å; F304-K374 HydrophobicContact CE2-CB 4.04Å; F304-K374 HydrophobicContact CG-CB 4.46Å; F304-K374 HydrophobicContact CG-CD 3.93Å; F304-K374 HydrophobicContact CG-CG 4.09Å; P305-K374 WeakPolarHBondContact O-CA 3.23Å; L370-K374 PolarHBondContact O-N 3.29Å; K371-K374 WeakPolarHBondContact O-CB 3.44Å |
| 375 | K | 90.1 | Very high | 93.9 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | trans | -70 | 131.6 | 168.2 | -70 | -174.4 | 176.6 | -179.4 | 0 | 108.3 | P305 I306 R307 E309 F373 | P305-K375 HydrophobicContact CB-CB 4.28Å; P305-K375 HydrophobicContact CG-CB 4.12Å; P305-K375 PolarHBondContact O-N 3.32Å; I306-K375 VanDerWaalsContact O-CE 3.23Å; I306-K375 WeakPolarHBondContact O-CE 3.46Å; R307-K375 VanDerWaalsContact CA-CE 3.46Å; R307-K375 HydrophobicContact CB-CG 3.93Å; R307-K375 HydrophobicContact CG-CG 4.49Å; E309-K375 IonicContact OE1-NZ 2.7Å; E309-K375 PolarHBondContact OE1-NZ 3.22Å; E309-K375 IonicContact OE2-NZ 3.46Å; F373-K375 PolarHBondContact O-N 3.08Å | ||
| 376 | A | 75.6 | Confident | 93.7 | Very high | 158 Ų | 158 | 61.5 Ų | 61.5 | 100% | 1.306 | 37% | 0.374 | S | S | * | . | trans | -75.4 | 0 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 376 of 376 residues in 173.2 ms
(Link to these results)