| 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 | 58.2 | Low | 56.6 | Low | 215 Ų | 215 | 135.5 Ų | 135.5 | 100% | 1.059 | 67% | 0.668 | S | S | * | * | 0 | 12.9 | 0 | -75.6 | -172.3 | -90.2 | 0 | 0 | 114.5 | |||||
| 2 | I | 53.4 | Low | 56.6 | Low | 148 Ų | 148 | 134.6 Ų | 134.6 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | trans | -97.5 | -27.2 | -174.8 | -62.5 | 159.6 | 0 | 0 | 0 | 112.1 | K4 F5 A6 | I2-K4 VanDerWaalsContact C-N 3.32Å; I2-K4 PolarHBondContact O-N 3.34Å; I2-F5 PolarHBondContact O-N 3.12Å; I2-A6 PolarHBondContact O-N 2.98Å | ||
| 3 | W | 46.4 | Very low | 56.5 | Low | 212 Ų | 212 | 128.5 Ų | 128.5 | 80% | 0.803 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.3 | -27.8 | -178.3 | -162.5 | 2.2 | 0 | 0 | 0 | 113.8 | F5 A6 L7 | W3-F5 VanDerWaalsContact C-N 3.34Å; W3-F5 PolarHBondContact O-N 3.34Å; W3-A6 PolarHBondContact O-N 3.47Å; W3-L7 PolarHBondContact O-N 3.29Å; W3-L7 VanDerWaalsContact O-N 3.12Å |
| 4 | K | 55 | Low | 56.4 | Low | 174 Ų | 174 | 123.8 Ų | 123.8 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.8 | -34.5 | 176.8 | -67.7 | -171.3 | 172 | -173.8 | 0 | 112.4 | I2 S8 | I2-K4 VanDerWaalsContact C-N 3.32Å; I2-K4 PolarHBondContact O-N 3.34Å; K4-S8 PolarHBondContact O-N 3.45Å |
| 5 | F | 55.2 | Low | 56.2 | Low | 152 Ų | 152 | 124.6 Ų | 124.6 | 67% | 0.667 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.5 | -36.8 | 175.4 | -75.4 | -76.2 | 0 | 0 | 0 | 111.9 | I2 W3 L7 S8 V9 | I2-F5 PolarHBondContact O-N 3.12Å; W3-F5 VanDerWaalsContact C-N 3.34Å; W3-F5 PolarHBondContact O-N 3.34Å; F5-L7 VanDerWaalsContact C-N 3.34Å; F5-L7 PolarHBondContact O-N 3.22Å; F5-S8 PolarHBondContact O-N 3.38Å; F5-V9 WeakPolarHBondContact O-CG2 3.35Å; F5-V9 PolarHBondContact O-N 3.26Å |
| 6 | A | 59.1 | Low | 55.8 | Low | 50 Ų | 50 | 124.1 Ų | 124.1 | 41% | 0.413 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -62.7 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2 W3 F10 | I2-A6 PolarHBondContact O-N 2.98Å; W3-A6 PolarHBondContact O-N 3.47Å; A6-F10 WeakPolarHBondContact O-CB 3.47Å; A6-F10 PolarHBondContact O-N 3.44Å |
| 7 | L | 59.1 | Low | 55.1 | Low | 96 Ų | 96 | 129.9 Ų | 129.9 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.7 | -38.6 | 174.9 | -107.6 | 113.4 | 0 | 0 | 0 | 112.7 | W3 F5 F10 L11 | W3-L7 PolarHBondContact O-N 3.29Å; W3-L7 VanDerWaalsContact O-N 3.12Å; F5-L7 VanDerWaalsContact C-N 3.34Å; F5-L7 PolarHBondContact O-N 3.22Å; L7-F10 PolarHBondContact O-N 3.02Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.42Å |
| 8 | S | 59.3 | Low | 54.5 | Low | 68 Ų | 68 | 129.7 Ų | 129.7 | 48% | 0.476 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67.5 | -39.9 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 112.3 | K4 F5 L11 M12 | K4-S8 PolarHBondContact O-N 3.45Å; F5-S8 PolarHBondContact O-N 3.38Å; S8-L11 PolarHBondContact O-N 3.13Å; S8-M12 WeakPolarHBondContact O-CG 3.48Å; S8-M12 PolarHBondContact O-N 3.06Å; S8-M12 VanDerWaalsContact O-N 3.13Å |
| 9 | V | 59.6 | Low | 53.9 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.2 | -37.1 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | F5 A13 | F5-V9 WeakPolarHBondContact O-CG2 3.35Å; F5-V9 PolarHBondContact O-N 3.26Å; V9-A13 WeakPolarHBondContact O-CB 3.43Å; V9-A13 PolarHBondContact O-N 2.99Å |
| 10 | F | 58.4 | Low | 53.2 | Low | 163 Ų | 163 | 128.3 Ų | 128.3 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.7 | -38.8 | 174.9 | -107 | -88.8 | 0 | 0 | 0 | 113.3 | A6 L7 A13 A14 | A6-F10 WeakPolarHBondContact O-CB 3.47Å; A6-F10 PolarHBondContact O-N 3.44Å; L7-F10 PolarHBondContact O-N 3.02Å; F10-A13 PolarHBondContact O-N 3.36Å; F10-A14 PolarHBondContact O-N 3.42Å |
| 11 | L | 58.7 | Low | 52.4 | Low | 112 Ų | 112 | 129 Ų | 129 | 59% | 0.586 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66 | -37.2 | 176.3 | -97.1 | 149.6 | 0 | 0 | 0 | 112.5 | L7 S8 A14 L15 | L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.42Å; S8-L11 PolarHBondContact O-N 3.13Å; L11-A14 PolarHBondContact O-N 3.45Å; L11-L15 PolarHBondContact O-N 3.07Å |
| 12 | M | 57 | Low | 51.5 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 61% | 0.611 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.5 | -31.7 | 175.1 | -66.8 | -61.4 | -78 | 0 | 0 | 112.6 | S8 A14 L15 | S8-M12 WeakPolarHBondContact O-CG 3.48Å; S8-M12 PolarHBondContact O-N 3.06Å; S8-M12 VanDerWaalsContact O-N 3.13Å; M12-A14 VanDerWaalsContact C-N 3.32Å; M12-L15 PolarHBondContact O-N 3.48Å; M12-L15 HydrophobicContact SD-CD1 4.36Å |
| 13 | A | 55 | Low | 50.7 | Low | 55 Ų | 55 | 130.5 Ų | 130.5 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -68.8 | -29.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V9 F10 | V9-A13 WeakPolarHBondContact O-CB 3.43Å; V9-A13 PolarHBondContact O-N 2.99Å; F10-A13 PolarHBondContact O-N 3.36Å |
| 14 | A | 55.4 | Low | 50.3 | Low | 63 Ų | 63 | 127.7 Ų | 127.7 | 52% | 0.521 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -70.9 | -31.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F10 L11 M12 | F10-A14 PolarHBondContact O-N 3.42Å; L11-A14 PolarHBondContact O-N 3.45Å; M12-A14 VanDerWaalsContact C-N 3.32Å |
| 15 | L | 53.4 | Low | 49.7 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.8 | -17.6 | 179.3 | -69.3 | 172.3 | 0 | 0 | 0 | 114 | L11 M12 | L11-L15 PolarHBondContact O-N 3.07Å; M12-L15 PolarHBondContact O-N 3.48Å; M12-L15 HydrophobicContact SD-CD1 4.36Å |
| 16 | V | 48.9 | Very low | 48.9 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 70% | 0.703 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -88.1 | -15.4 | 179.1 | 178.9 | 0 | 0 | 0 | 0 | 113 | ||
| 17 | R | 45.4 | Very low | 48.2 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 84% | 0.842 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -92.9 | 3.4 | -174.3 | -72.2 | -83.9 | -177.6 | 126.5 | -0.9 | 115.3 | T19 | R17-T19 PolarHBondContact O-N 3.44Š|
| 18 | V | 44.4 | Very low | 47.1 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | -100.2 | 67.7 | 174.8 | -169.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 19 | T | 42.3 | Very low | 46 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -112.7 | 94.3 | 157.8 | 55.5 | 0 | 0 | 0 | 0 | 108.4 | R17 | R17-T19 PolarHBondContact O-N 3.44Š|
| 20 | D | 39.9 | Very low | 45.2 | Very low | 110 Ų | 110 | 134 Ų | 134 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | trans | 47.8 | 78.5 | 139.2 | -143.1 | -6.1 | 0 | 0 | 0 | 115.3 | R22 | D20-R22 PolarHBondContact O-N 2.88Å; D20-R22 WeakPolarHBondContact OD1-CG 3.44Å; D20-R22 IonicContact OD2-CZ 2.68Å; D20-R22 IonicContact OD2-NE 3.89Å; D20-R22 PolarHBondContact OD2-NE 2.93Å; D20-R22 VanDerWaalsContact OD2-NE 3.11Å; D20-R22 IonicContact OD2-NH2 2.86Å; D20-R22 PolarHBondContact OD2-NH2 2.95Å | ||
| 21 | T | 36.6 | Very low | 44.2 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -68.5 | 79.2 | 158.3 | 49.9 | 0 | 0 | 0 | 0 | 108.7 | K23 | T21-K23 VanDerWaalsContact C-N 3.32Å; T21-K23 PolarHBondContact O-N 3.11Å | ||
| 22 | R | 39.3 | Very low | 43.3 | Very low | 191 Ų | 191 | 130 Ų | 130 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -66 | 97.5 | 163.9 | -70.2 | -172.6 | -176.5 | 178.1 | 0.1 | 107.6 | D20 N24 | D20-R22 PolarHBondContact O-N 2.88Å; D20-R22 WeakPolarHBondContact OD1-CG 3.44Å; D20-R22 IonicContact OD2-CZ 2.68Å; D20-R22 IonicContact OD2-NE 3.89Å; D20-R22 PolarHBondContact OD2-NE 2.93Å; D20-R22 VanDerWaalsContact OD2-NE 3.11Å; D20-R22 IonicContact OD2-NH2 2.86Å; D20-R22 PolarHBondContact OD2-NH2 2.95Å; R22-N24 PolarHBondContact O-N 3.19Å | ||
| 23 | K | 35.9 | Very low | 42.7 | Very low | 203 Ų | 203 | 130.1 Ų | 130.1 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -55.4 | 99.7 | 168.7 | -169.4 | 172.5 | -174.3 | 173.5 | 0 | 107.8 | T21 R25 | T21-K23 VanDerWaalsContact C-N 3.32Å; T21-K23 PolarHBondContact O-N 3.11Å; K23-R25 PolarHBondContact O-N 2.94Å | ||
| 24 | N | 38.1 | Very low | 42.3 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -57.5 | 107.3 | 173 | -79.1 | -33.5 | 0 | 0 | 0 | 107.9 | R22 | R22-N24 PolarHBondContact O-N 3.19Š| ||
| 25 | R | 43 | Very low | 41.4 | Very low | 230 Ų | 230 | 143.3 Ų | 143.3 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | -61.5 | 129.1 | 171 | -169.5 | 176 | -174.3 | 150.7 | 1.9 | 106.7 | K23 A27 | K23-R25 PolarHBondContact O-N 2.94Å; R25-A27 PolarHBondContact O-N 3.43Å | ||
| 26 | P | 38 | Very low | 40.8 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -58 | 128.9 | 176.9 | 22.2 | -29.7 | 0 | 0 | 0 | 108 | G28 | P26-G28 PolarHBondContact O-N 3.47Š| ||
| 27 | A | 44.6 | Very low | 40.7 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -58 | 108.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | R25 A29 | R25-A27 PolarHBondContact O-N 3.43Å; A27-A29 PolarHBondContact O-N 2.83Å; A27-A29 VanDerWaalsContact O-N 3.11Å | ||
| 28 | G | 35.1 | Very low | 40.5 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -62.4 | 114.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | P26 I30 | P26-G28 PolarHBondContact O-N 3.47Å; G28-I30 PolarHBondContact O-N 3.11Å | ||
| 29 | A | 37.1 | Very low | 40.8 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 122.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | A27 | A27-A29 PolarHBondContact O-N 2.83Å; A27-A29 VanDerWaalsContact O-N 3.11Å |
| 30 | I | 43.6 | Very low | 40.9 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 126 | 166.1 | -59.8 | 172.9 | 0 | 0 | 0 | 105.8 | G28 S32 | G28-I30 PolarHBondContact O-N 3.11Å; I30-S32 PolarHBondContact O-N 3.05Å |
| 31 | P | 36.8 | Very low | 41.4 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 128.5 | -180 | 28 | -33 | 0 | 0 | 0 | 109.7 | ||
| 32 | S | 38.7 | Very low | 41.9 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 136.2 | 169.8 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | I30 Y34 | I30-S32 PolarHBondContact O-N 3.05Å; S32-Y34 WeakPolarHBondContact CB-O 3.49Å; S32-Y34 PolarHBondContact O-N 3.42Å; S32-Y34 PolarHBondContact OG-N 3.3Å; S32-Y34 PolarHBondContact OG-O 3.36Å |
| 33 | P | 46.1 | Very low | 42.3 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -69.8 | -9.1 | 172.4 | 28.7 | -32.1 | 0 | 0 | 0 | 112.8 | ||
| 34 | Y | 46.5 | Very low | 42.7 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -126.3 | 99.2 | 169.8 | -76.8 | -89.9 | 0 | 0 | 0 | 108.5 | S32 | S32-Y34 WeakPolarHBondContact CB-O 3.49Å; S32-Y34 PolarHBondContact O-N 3.42Å; S32-Y34 PolarHBondContact OG-N 3.3Å; S32-Y34 PolarHBondContact OG-O 3.36Å | ||
| 35 | K | 36.3 | Very low | 42.9 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -101.1 | 95.7 | 167.6 | -176 | -178.7 | -178.9 | -175.5 | 0 | 106.6 | ||||
| 36 | D | 40.5 | Very low | 43 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -116.8 | 133.8 | 155.4 | -97.4 | -34.8 | 0 | 0 | 0 | 109.9 | S38 | D36-S38 PolarHBondContact O-N 2.75Š| ||
| 37 | S | 46.1 | Very low | 43.5 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -71.5 | 113.8 | -170 | 149.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 38 | S | 41.4 | Very low | 43.5 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -166.1 | 124.8 | 149.3 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | D36 | D36-S38 PolarHBondContact O-N 2.75Š| ||
| 39 | S | 51.8 | Low | 44 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -80.8 | 125.6 | -178.1 | 116.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 40 | N | 44 | Very low | 44.5 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | trans | -145.5 | 119.8 | 158.4 | -91.4 | -32.9 | 0 | 0 | 0 | 111.3 | S42 | N40-S42 PolarHBondContact O-N 3.18Š| ||
| 41 | N | 49.6 | Very low | 44.7 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 0.4 | -173.3 | -86.7 | -47.4 | 0 | 0 | 0 | 115.1 | ||
| 42 | S | 48.5 | Very low | 45.4 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -19.9 | 179.2 | 55.4 | 0 | 0 | 0 | 0 | 114 | N40 R44 | N40-S42 PolarHBondContact O-N 3.18Å; S42-R44 VanDerWaalsContact C-N 3.34Å; S42-R44 PolarHBondContact O-N 3.25Å |
| 43 | E | 47.1 | Very low | 46.2 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 58% | 0.579 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -18 | -173.9 | -64.9 | -168.9 | 151.6 | 0 | 0 | 114 | R45 Q46 H47 | E43-R45 PolarHBondContact O-N 3.21Å; E43-Q46 PolarHBondContact O-N 3.23Å; E43-Q46 VanDerWaalsContact O-N 3.09Å; E43-H47 PolarHBondContact O-N 3.12Å; E43-H47 VanDerWaalsContact O-N 3.12Å |
| 44 | R | 44.7 | Very low | 46.5 | Very low | 211 Ų | 211 | 135 Ų | 135 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -63.6 | -28.2 | -176.8 | -163.8 | 170.8 | -177.1 | 171.2 | 0.7 | 113 | S42 | S42-R44 VanDerWaalsContact C-N 3.34Å; S42-R44 PolarHBondContact O-N 3.25Å |
| 45 | R | 41.3 | Very low | 46.7 | Very low | 221 Ų | 221 | 125.8 Ų | 125.8 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.3 | -30 | 175.2 | -95.6 | -179.9 | 165.5 | 170.1 | -4.1 | 113.1 | E43 | E43-R45 PolarHBondContact O-N 3.21Å |
| 46 | Q | 46.3 | Very low | 47.5 | Very low | 147 Ų | 147 | 117.2 Ų | 117.2 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.3 | -29 | 176.9 | -76.8 | -177.9 | -16.9 | 0 | 0 | 112.2 | E43 N49 | E43-Q46 PolarHBondContact O-N 3.23Å; E43-Q46 VanDerWaalsContact O-N 3.09Å; Q46-N49 PolarHBondContact O-N 3.44Å |
| 47 | H | 46.5 | Very low | 48.4 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 64% | 0.639 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.6 | -27.7 | -175.9 | -136.2 | -91.3 | 0 | 0 | 0 | 114.4 | E43 N49 K50 | E43-H47 PolarHBondContact O-N 3.12Å; E43-H47 VanDerWaalsContact O-N 3.12Å; H47-N49 VanDerWaalsContact C-N 3.27Å; H47-N49 PolarHBondContact O-N 2.82Å; H47-K50 PolarHBondContact O-N 3.09Å |
| 48 | L | 46.2 | Very low | 48.7 | Very low | 138 Ų | 138 | 113.8 Ų | 113.8 | 72% | 0.723 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -65.1 | -29.1 | 174.4 | -103.5 | 146.1 | 0 | 0 | 0 | 112.8 | K50 | L48-K50 VanDerWaalsContact C-N 3.27Å; L48-K50 PolarHBondContact O-N 3.26Å |
| 49 | N | 45 | Very low | 49.2 | Very low | 108 Ų | 108 | 108.9 Ų | 108.9 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -81.2 | -6.4 | 179.3 | -72.8 | -31.6 | 0 | 0 | 0 | 113.5 | Q46 H47 V52 R65 | Q46-N49 PolarHBondContact O-N 3.44Å; H47-N49 VanDerWaalsContact C-N 3.27Å; H47-N49 PolarHBondContact O-N 2.82Å; N49-V52 VanDerWaalsContact O-CG2 3.29Å; N49-V52 WeakPolarHBondContact O-CG2 2.96Å; N49-R65 PolarHBondContact O-NH1 3.11Å; N49-R65 VanDerWaalsContact O-NH1 3.14Å |
| 50 | K | 46.5 | Very low | 49.3 | Very low | 147 Ų | 147 | 108 Ų | 108 | 64% | 0.639 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -102.1 | 9 | -170.1 | -134.1 | 175.4 | -174.9 | 177.6 | 0 | 114.2 | H47 L48 V52 | H47-K50 PolarHBondContact O-N 3.09Å; L48-K50 VanDerWaalsContact C-N 3.27Å; L48-K50 PolarHBondContact O-N 3.26Å; K50-V52 PolarHBondContact O-N 2.96Å |
| 51 | E | 48.8 | Very low | 49.9 | Very low | 182 Ų | 182 | 108.8 Ų | 108.8 | 85% | 0.85 | 54% | 0.54 | S | S | * | . | trans | -77.4 | 52.6 | 162.9 | -67.6 | -166.7 | 167.9 | 0 | 0 | 110.7 | ||||
| 52 | V | 52.2 | Low | 50.6 | Low | 24 Ų | 24 | 104.8 Ų | 104.8 | 15% | 0.145 | 52% | 0.521 | C | S | . | . | trans | -106.8 | 125.2 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | N49 K50 Q57 R65 | N49-V52 VanDerWaalsContact O-CG2 3.29Å; N49-V52 WeakPolarHBondContact O-CG2 2.96Å; K50-V52 PolarHBondContact O-N 2.96Å; V52-Q57 HydrophobicContact CB-CG 3.92Å; V52-Q57 HydrophobicContact CG1-CG 3.81Å; V52-Q57 PolarHBondContact O-NE2 2.81Å; V52-R65 VanDerWaalsContact CG2-NH1 3.28Å | ||
| 53 | L | 55 | Low | 51.4 | Low | 69 Ų | 69 | 102.6 Ų | 102.6 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | trans | -52.9 | 147.1 | 178.6 | -63.5 | 170.8 | 0 | 0 | 0 | 109.9 | S55 S56 Q57 D71 C157 | L53-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact O-N 3.16Å; L53-S56 CarbonylContact O-C 3.59Å; L53-S56 WeakPolarHBondContact O-CA 3.39Å; L53-S56 WeakPolarHBondContact O-CB 3.2Å; L53-S56 PolarHBondContact O-N 2.83Å; L53-Q57 PolarHBondContact O-N 3.44Å; L53-D71 HydrophobicContact CD1-CB 4.02Å; L53-D71 WeakPolarHBondContact CD1-OD2 3.5Å; L53-C157 HydrophobicContact CD1-CB 4.13Å | ||
| 54 | A | 51.9 | Low | 52.2 | Low | 76 Ų | 76 | 101.8 Ų | 101.8 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -53.6 | -39.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S56 Q57 | A54-S56 VanDerWaalsContact C-N 3.35Å; A54-S56 PolarHBondContact O-N 3.45Å; A54-Q57 PolarHBondContact O-N 3.37Å |
| 55 | S | 51.9 | Low | 53.2 | Low | 11 Ų | 11 | 97.8 Ų | 97.8 | 8% | 0.077 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -67.1 | -32.1 | 173.7 | 170.6 | 0 | 0 | 0 | 0 | 113.1 | L53 A59 S119 | L53-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact O-N 3.16Å; S55-A59 PolarHBondContact O-N 2.82Å; S55-S119 PolarHBondContact OG-OG 2.87Å |
| 56 | S | 53 | Low | 54.5 | Low | 13 Ų | 13 | 93.8 Ų | 93.8 | 9% | 0.091 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -81.7 | -18 | 178.4 | -55 | 0 | 0 | 0 | 0 | 113.6 | L53 A54 A59 L60 | L53-S56 CarbonylContact O-C 3.59Å; L53-S56 WeakPolarHBondContact O-CA 3.39Å; L53-S56 WeakPolarHBondContact O-CB 3.2Å; L53-S56 PolarHBondContact O-N 2.83Å; A54-S56 VanDerWaalsContact C-N 3.35Å; A54-S56 PolarHBondContact O-N 3.45Å; S56-A59 PolarHBondContact O-N 3.4Å; S56-L60 WeakPolarHBondContact O-CB 3.38Å; S56-L60 PolarHBondContact O-N 2.84Å |
| 57 | Q | 57.7 | Low | 55.4 | Low | 97 Ų | 97 | 94.3 Ų | 94.3 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.7 | -41.9 | 176.1 | -70.9 | 177.9 | 25.7 | 0 | 0 | 111.1 | V52 L53 A54 L60 | V52-Q57 HydrophobicContact CB-CG 3.92Å; V52-Q57 HydrophobicContact CG1-CG 3.81Å; V52-Q57 PolarHBondContact O-NE2 2.81Å; L53-Q57 PolarHBondContact O-N 3.44Å; A54-Q57 PolarHBondContact O-N 3.37Å; Q57-L60 WeakPolarHBondContact O-CB 3.25Å; Q57-L60 PolarHBondContact O-N 2.96Å |
| 58 | E | 52.2 | Low | 56.7 | Low | 110 Ų | 110 | 89.2 Ų | 89.2 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 171 | -69.6 | 178.4 | 177.3 | 0 | 0 | 110.8 | L60 V61 V62 F117 | E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 2.98Å; E58-V61 WeakPolarHBondContact O-CB 3.25Å; E58-V61 PolarHBondContact O-N 2.8Å; E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 2.96Å; E58-F117 HydrophobicContact CB-CZ 4.33Å; E58-F117 WeakPolarHBondContact OE2-CE2 3.05Å |
| 59 | A | 52.5 | Low | 58.3 | Low | 1 Ų | 1 | 91 Ų | 91 | 1% | 0.008 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.1 | -29.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S55 S56 V61 V62 T63 L68 F104 | S55-A59 PolarHBondContact O-N 2.82Å; S56-A59 PolarHBondContact O-N 3.4Å; A59-V61 PolarHBondContact O-N 3.44Å; A59-V62 CarbonylContact O-C 3.57Å; A59-V62 PolarHBondContact O-N 2.88Å; A59-T63 PolarHBondContact O-N 3.12Å; A59-L68 HydrophobicContact CB-CD1 4.38Å; A59-F104 HydrophobicContact CB-CD1 4.47Å; A59-F104 HydrophobicContact CB-CD2 4.01Å; A59-F104 HydrophobicContact CB-CE1 4.18Å; A59-F104 HydrophobicContact CB-CE2 3.68Å; A59-F104 HydrophobicContact CB-CG 4.4Å; A59-F104 HydrophobicContact CB-CZ 3.78Å |
| 60 | L | 53.8 | Low | 60.1 | Low | 84 Ų | 84 | 91.4 Ų | 91.4 | 44% | 0.44 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -29.6 | 172.6 | -178 | 67.9 | 0 | 0 | 0 | 112.2 | S56 Q57 E58 V62 R65 | S56-L60 WeakPolarHBondContact O-CB 3.38Å; S56-L60 PolarHBondContact O-N 2.84Å; Q57-L60 WeakPolarHBondContact O-CB 3.25Å; Q57-L60 PolarHBondContact O-N 2.96Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 2.98Å; L60-V62 VanDerWaalsContact C-N 3.33Å; L60-R65 HydrophobicContact CD1-CB 3.92Å |
| 61 | V | 57.8 | Low | 62.2 | Low | 132 Ų | 132 | 86.1 Ų | 86.1 | 80% | 0.8 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -75 | -27.3 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | E58 A59 | E58-V61 WeakPolarHBondContact O-CB 3.25Å; E58-V61 PolarHBondContact O-N 2.8Å; A59-V61 PolarHBondContact O-N 3.44Å |
| 62 | V | 62.9 | Low | 64.2 | Low | 74 Ų | 74 | 81.8 Ų | 81.8 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -92.2 | -34 | -176.6 | -174.1 | 0 | 0 | 0 | 0 | 113.8 | E58 A59 L60 I106 | E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 2.96Å; A59-V62 CarbonylContact O-C 3.57Å; A59-V62 PolarHBondContact O-N 2.88Å; L60-V62 VanDerWaalsContact C-N 3.33Å; V62-I106 HydrophobicContact CB-CD1 3.92Å; V62-I106 HydrophobicContact CG1-CB 4.33Å; V62-I106 HydrophobicContact CG1-CD1 3.26Å; V62-I106 HydrophobicContact CG1-CG1 3.47Å; V62-I106 VanDerWaalsContact CG1-CG1 3.47Å; V62-I106 HydrophobicContact CG1-CG2 4.04Å; V62-I106 HydrophobicContact CG2-CD1 4.02Å |
| 63 | T | 65.2 | Low | 66.4 | Low | 47 Ų | 47 | 82.1 Ų | 82.1 | 29% | 0.288 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -145.4 | 151.1 | 179.5 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | A59 L68 | A59-T63 PolarHBondContact O-N 3.12Å; T63-L68 HydrophobicContact CG2-CD2 3.66Å; T63-L68 HydrophobicContact CG2-CG 4.09Å |
| 64 | E | 64.1 | Low | 68.4 | Low | 108 Ų | 108 | 83.6 Ų | 83.6 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | trans | -63.5 | 142.8 | 178.9 | -65.1 | 179.9 | -116.9 | 0 | 0 | 111.8 | K66 Y67 | E64-K66 HydrophobicContact CB-CD 4.42Å; E64-K66 HydrophobicContact CB-CG 4.04Å; E64-K66 VanDerWaalsContact CD-CE 3.49Å; E64-K66 PolarHBondContact O-N 3.49Å; E64-K66 WeakPolarHBondContact OE1-CE 3.48Å; E64-K66 IonicContact OE1-NZ 3.47Å; E64-K66 PolarHBondContact OE1-NZ 2.86Å; E64-K66 WeakPolarHBondContact OE2-CD 3.48Å; E64-K66 WeakPolarHBondContact OE2-CE 3.38Å; E64-K66 IonicContact OE2-NZ 3.71Å; E64-K66 PolarHBondContact OE2-NZ 2.92Å; E64-Y67 HydrophobicContact CB-CD2 4.01Å; E64-Y67 HydrophobicContact CB-CE2 4.25Å; E64-Y67 PolarHBondContact O-N 2.78Å | ||
| 65 | R | 66.6 | Low | 70.6 | Confident | 127 Ų | 127 | 81.7 Ų | 81.7 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -54 | -26.2 | 179.4 | -167.7 | 175 | -175.2 | 136.7 | 0.9 | 114 | N49 V52 L60 Y67 L68 | N49-R65 PolarHBondContact O-NH1 3.11Å; N49-R65 VanDerWaalsContact O-NH1 3.14Å; V52-R65 VanDerWaalsContact CG2-NH1 3.28Å; L60-R65 HydrophobicContact CD1-CB 3.92Å; R65-Y67 PolarHBondContact O-N 2.92Å; R65-L68 WeakPolarHBondContact O-CB 3.49Å; R65-L68 PolarHBondContact O-N 3.29Å |
| 66 | K | 67.5 | Low | 72.8 | Confident | 137 Ų | 137 | 85 Ų | 85 | 60% | 0.596 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -64 | -25.7 | 178.6 | 72.5 | -169.8 | -177.1 | -153.8 | 0 | 113.4 | E64 | E64-K66 HydrophobicContact CB-CD 4.42Å; E64-K66 HydrophobicContact CB-CG 4.04Å; E64-K66 VanDerWaalsContact CD-CE 3.49Å; E64-K66 PolarHBondContact O-N 3.49Å; E64-K66 WeakPolarHBondContact OE1-CE 3.48Å; E64-K66 IonicContact OE1-NZ 3.47Å; E64-K66 PolarHBondContact OE1-NZ 2.86Å; E64-K66 WeakPolarHBondContact OE2-CD 3.48Å; E64-K66 WeakPolarHBondContact OE2-CE 3.38Å; E64-K66 IonicContact OE2-NZ 3.71Å; E64-K66 PolarHBondContact OE2-NZ 2.92Å |
| 67 | Y | 67 | Low | 74.9 | Confident | 157 Ų | 157 | 88.1 Ų | 88.1 | 62% | 0.616 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -88.7 | -12.3 | 175.8 | -58.6 | -61.7 | 0 | 0 | 0 | 112.4 | E64 R65 | E64-Y67 HydrophobicContact CB-CD2 4.01Å; E64-Y67 HydrophobicContact CB-CE2 4.25Å; E64-Y67 PolarHBondContact O-N 2.78Å; R65-Y67 PolarHBondContact O-N 2.92Å |
| 68 | L | 73.1 | Confident | 76.8 | Confident | 32 Ų | 32 | 87.8 Ų | 87.8 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | trans | -88.6 | 109 | 178.8 | -60.5 | -177.4 | 0 | 0 | 0 | 110.4 | A59 T63 R65 F104 | A59-L68 HydrophobicContact CB-CD1 4.38Å; T63-L68 HydrophobicContact CG2-CD2 3.66Å; T63-L68 HydrophobicContact CG2-CG 4.09Å; R65-L68 WeakPolarHBondContact O-CB 3.49Å; R65-L68 PolarHBondContact O-N 3.29Å; L68-F104 HydrophobicContact CD2-CE1 3.38Å; L68-F104 HydrophobicContact CD2-CZ 3.45Å; L68-F104 VanDerWaalsContact CD2-CZ 3.45Å | ||
| 69 | K | 80.1 | Confident | 79 | Confident | 175 Ų | 175 | 91.3 Ų | 91.3 | 76% | 0.761 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 145.9 | 167.4 | -70.6 | -173.4 | 179.5 | 178.3 | 0 | 109.9 | D71 N102 | K69-D71 PolarHBondContact O-N 2.82Å; K69-N102 PolarHBondContact O-ND2 2.84Å |
| 70 | S | 82.8 | Confident | 81.1 | Confident | 116 Ų | 116 | 94.7 Ų | 94.7 | 81% | 0.811 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 126.9 | 177 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 71 | D | 89.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 94.7 Ų | 94.7 | 19% | 0.193 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 152.2 | 170.9 | -72.8 | -27 | 0 | 0 | 0 | 111.3 | L53 K69 C101 N102 | L53-D71 HydrophobicContact CD1-CB 4.02Å; L53-D71 WeakPolarHBondContact CD1-OD2 3.5Å; K69-D71 PolarHBondContact O-N 2.82Å; D71-C101 VanDerWaalsContact OD1-C 3.3Å; D71-C101 VanDerWaalsContact OD1-CA 3.3Å; D71-C101 WeakPolarHBondContact OD1-CA 2.94Å; D71-N102 VanDerWaalsContact CG-N 3.33Å; D71-N102 VanDerWaalsContact CG-ND2 3.27Å; D71-N102 WeakPolarHBondContact OD1-CB 3.33Å; D71-N102 PolarHBondContact OD1-N 2.83Å; D71-N102 PolarHBondContact OD1-ND2 3.5Å; D71-N102 PolarHBondContact OD1-OD1 2.03Å; D71-N102 PolarHBondContact OD2-N 3.18Å; D71-N102 PolarHBondContact OD2-ND2 3.14Å |
| 72 | W | 92.4 | Very high | 85 | Confident | 91 Ų | 91 | 88.7 Ų | 88.7 | 35% | 0.345 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 135 | 167.9 | 67.6 | -89.1 | 0 | 0 | 0 | 110.3 | K74 Y98 G99 Q100 | W72-K74 HydrophobicContact CE3-CD 3.94Å; W72-K74 HydrophobicContact CE3-CG 3.88Å; W72-K74 HydrophobicContact CZ3-CB 4.36Å; W72-K74 HydrophobicContact CZ3-CD 3.78Å; W72-K74 HydrophobicContact CZ3-CG 4Å; W72-Y98 AromaticContact CH2-CD2 3.51Å; W72-Y98 HydrophobicContact CH2-CD2 3.51Å; W72-Y98 AromaticContact CH2-CE2 3.45Å; W72-Y98 HydrophobicContact CH2-CE2 3.45Å; W72-Y98 VanDerWaalsContact CH2-CE2 3.45Å; W72-Y98 AromaticContact CZ3-CD2 3.49Å; W72-Y98 HydrophobicContact CZ3-CD2 3.49Å; W72-Y98 VanDerWaalsContact CZ3-CD2 3.49Å; W72-Y98 AromaticContact CZ3-CE2 3.32Å; W72-Y98 HydrophobicContact CZ3-CE2 3.32Å; W72-G99 CarbonylContact O-C 3.24Å; W72-G99 WeakPolarHBondContact O-CA 3.35Å; W72-Q100 HydrophobicContact CZ2-CB 4.43Å; W72-Q100 HydrophobicContact CZ2-CG 3.86Å; W72-Q100 PolarHBondContact N-O 2.79Å; W72-Q100 PolarHBondContact O-N 3.01Å; W72-Q100 VanDerWaalsContact O-O 3.12Å |
| 73 | C | 96.6 | Very high | 86.6 | Confident | 32 Ų | 32 | 88.3 Ų | 88.3 | 22% | 0.216 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 122.1 | 176.6 | 173.9 | 0 | 0 | 0 | 0 | 108.5 | C123 C155 R156 | C73-C123 HydrophobicContact CB-CB 3.83Å; C73-C123 WeakPolarHBondContact CB-SG 3.27Å; C73-C123 VanDerWaalsContact SG-CA 3.53Å; C73-C123 WeakPolarHBondContact SG-CB 3.03Å; C73-C123 CovalentContact SG-SG 2.04Å; C73-C123 PolarHBondContact SG-SG 3.33Å; C73-C155 VanDerWaalsContact SG-CB 3.57Å; C73-R156 VanDerWaalsContact SG-CA 3.57Å; C73-R156 PolarHBondContact SG-N 3.18Å; C73-R156 VanDerWaalsContact SG-N 3.45Å |
| 74 | K | 97.3 | Very high | 88 | Confident | 100 Ų | 100 | 89 Ų | 89 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 148.7 | -174.5 | -73.7 | 176.2 | -176.5 | 175.8 | 0 | 110.6 | W72 C97 Y98 | W72-K74 HydrophobicContact CE3-CD 3.94Å; W72-K74 HydrophobicContact CE3-CG 3.88Å; W72-K74 HydrophobicContact CZ3-CB 4.36Å; W72-K74 HydrophobicContact CZ3-CD 3.78Å; W72-K74 HydrophobicContact CZ3-CG 4Å; K74-C97 WeakPolarHBondContact O-CA 3.44Å; K74-Y98 HydrophobicContact CB-CD1 4.28Å; K74-Y98 HydrophobicContact CB-CE1 3.83Å; K74-Y98 HydrophobicContact CB-CE2 4.37Å; K74-Y98 HydrophobicContact CD-CE1 4.46Å; K74-Y98 HydrophobicContact CD-CE2 4.03Å; K74-Y98 VanDerWaalsContact CD-OH 3.23Å; K74-Y98 WeakPolarHBondContact CD-OH 3.02Å; K74-Y98 PolarHBondContact N-O 2.88Å; K74-Y98 PolarHBondContact O-N 3.48Å |
| 75 | T | 98.3 | Very high | 89.4 | Confident | 36 Ų | 36 | 92.8 Ų | 92.8 | 22% | 0.221 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.9 | 170.2 | -50.3 | 0 | 0 | 0 | 0 | 107.5 | R95 F96 V152 C155 | T75-R95 HydrophobicContact CG2-CB 3.62Å; T75-R95 VanDerWaalsContact CG2-CD 3.42Å; T75-R95 HydrophobicContact CG2-CG 4.02Å; T75-F96 WeakPolarHBondContact CA-O 3.38Å; T75-V152 HydrophobicContact CG2-CG1 4.27Å; T75-C155 VanDerWaalsContact OG1-CB 3.27Å; T75-C155 WeakPolarHBondContact OG1-CB 3.39Å; T75-C155 PolarHBondContact OG1-N 3.32Å; T75-C155 PolarHBondContact OG1-SG 3.31Å |
| 76 | Q | 98.2 | Very high | 90.7 | Very high | 79 Ų | 79 | 88.6 Ų | 88.6 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.8 | -179.3 | -74.2 | -58.8 | -58.3 | 0 | 0 | 111.9 | R95 F96 Y98 | Q76-R95 CarbonylContact O-C 3.54Å; Q76-R95 WeakPolarHBondContact O-CA 3.48Å; Q76-R95 VanDerWaalsContact O-CB 3.3Å; Q76-R95 WeakPolarHBondContact O-CB 3.43Å; Q76-F96 HydrophobicContact CB-CD1 4.05Å; Q76-F96 HydrophobicContact CB-CE1 3.46Å; Q76-F96 VanDerWaalsContact CB-CE1 3.46Å; Q76-F96 HydrophobicContact CB-CZ 3.75Å; Q76-F96 PolarHBondContact N-O 3.14Å; Q76-F96 WeakPolarHBondContact O-CD1 3.06Å; Q76-F96 PolarHBondContact O-N 2.02Å; Q76-Y98 HydrophobicContact CB-CE1 4.16Å; Q76-Y98 HydrophobicContact CG-CD1 4.36Å; Q76-Y98 HydrophobicContact CG-CE1 3.42Å; Q76-Y98 VanDerWaalsContact CG-CE1 3.42Å |
| 77 | P | 97.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 83 Ų | 83 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 144.1 | 176.6 | 29.6 | -33.5 | 0 | 0 | 0 | 111.4 | I93 N94 | P77-I93 HydrophobicContact CB-CG2 3.92Å; P77-N94 CarbonylContact C-O 3.59Å; P77-N94 WeakPolarHBondContact CA-O 3.23Å |
| 78 | L | 97.3 | Very high | 93.5 | Very high | 90 Ų | 90 | 80 Ų | 80 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.3 | 174.2 | 170.4 | 66.8 | 0 | 0 | 0 | 109.2 | Q80 I93 N94 F96 | L78-Q80 PolarHBondContact O-N 3.17Å; L78-I93 WeakPolarHBondContact O-CA 3.29Å; L78-N94 PolarHBondContact N-O 2.78Å; L78-N94 PolarHBondContact O-N 3.12Å; L78-F96 HydrophobicContact CB-CD1 3.93Å |
| 79 | R | 97.4 | Very high | 94.7 | Very high | 185 Ų | 185 | 81.7 Ų | 81.7 | 70% | 0.698 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 115.2 | 168.5 | -62.7 | -176.5 | 74.2 | 176.8 | 1.4 | 108.3 | T91 I92 I93 | R79-T91 HydrophobicContact CB-CG2 3.91Å; R79-T91 HydrophobicContact CG-CG2 4.45Å; R79-I92 WeakPolarHBondContact CA-O 3.49Å; R79-I93 HydrophobicContact CG-CD1 3.78Å |
| 80 | Q | 97.3 | Very high | 95.5 | Very high | 71 Ų | 71 | 79.9 Ų | 79.9 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.5 | 177.1 | 177.3 | -177.9 | -1.9 | 0 | 0 | 108.4 | L78 T91 I92 N94 | L78-Q80 PolarHBondContact O-N 3.17Å; Q80-T91 WeakPolarHBondContact O-CA 3.26Å; Q80-I92 HydrophobicContact CB-CD1 4.47Å; Q80-I92 HydrophobicContact CB-CG1 4.02Å; Q80-I92 PolarHBondContact N-O 2.84Å; Q80-I92 VanDerWaalsContact O-CG1 3.27Å; Q80-I92 WeakPolarHBondContact O-CG1 3.11Å; Q80-I92 PolarHBondContact O-N 3.14Å; Q80-N94 HydrophobicContact CB-CB 4.27Å; Q80-N94 PolarHBondContact OE1-ND2 3.17Å |
| 81 | T | 97.3 | Very high | 96.1 | Very high | 85 Ų | 85 | 77.4 Ų | 77.4 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.6 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 82 | V | 96.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.5 | 173.4 | -176 | 0 | 0 | 0 | 0 | 107.4 | S89 R90 I92 L135 K147 I149 | V82-S89 WeakPolarHBondContact O-CA 3.39Å; V82-R90 PolarHBondContact N-O 3.42Å; V82-R90 PolarHBondContact O-N 2.79Å; V82-I92 HydrophobicContact CG2-CD1 3.64Å; V82-I92 HydrophobicContact CG2-CG1 4Å; V82-I92 HydrophobicContact CG2-CG2 4.41Å; V82-L135 HydrophobicContact CG1-CD1 4.25Å; V82-L135 HydrophobicContact CG1-CD2 4.37Å; V82-K147 HydrophobicContact CG1-CB 4.33Å; V82-K147 HydrophobicContact CG1-CD 3.66Å; V82-K147 HydrophobicContact CG1-CG 4.06Å; V82-I149 HydrophobicContact CG1-CG2 4.38Å; V82-I149 HydrophobicContact CG2-CG2 4.06Å |
| 83 | S | 95.3 | Very high | 96.7 | Very high | 67 Ų | 67 | 76.2 Ų | 76.2 | 47% | 0.469 | 40% | 0.398 | S | S | . | . | trans | -117 | 151 | 178.6 | 54.7 | 0 | 0 | 0 | 0 | 111 | S89 K147 | S83-S89 VanDerWaalsContact CB-OG 3.27Å; S83-S89 WeakPolarHBondContact CB-OG 3.38Å; S83-K147 PolarHBondContact O-NZ 3.03Å | ||
| 84 | E | 95 | Very high | 96.7 | Very high | 62 Ų | 62 | 75.3 Ų | 75.3 | 29% | 0.29 | 39% | 0.391 | S | S | . | . | trans | -148.6 | 144.9 | 172.7 | -173.5 | 165.9 | 167.5 | 0 | 0 | 107.5 | C87 L135 R145 | E84-C87 HydrophobicContact CB-CB 4.09Å; E84-C87 PolarHBondContact O-N 2.84Å; E84-C87 VanDerWaalsContact O-N 3.14Å; E84-L135 HydrophobicContact CB-CD1 3.54Å; E84-R145 WeakPolarHBondContact OE1-CB 3.34Å; E84-R145 WeakPolarHBondContact OE1-CD 3.12Å; E84-R145 VanDerWaalsContact OE1-CG 3.29Å; E84-R145 WeakPolarHBondContact OE1-CG 3.45Å; E84-R145 WeakPolarHBondContact OE2-CB 3.3Å | ||
| 85 | E | 94.3 | Very high | 96.8 | Very high | 186 Ų | 186 | 74.9 Ų | 74.9 | 87% | 0.869 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 136.1 | -178.8 | -68.3 | 177.2 | -174.7 | 0 | 0 | 110.4 | C87 | E85-C87 PolarHBondContact O-N 2.99Š|
| 86 | G | 93.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 77.4 Ų | 77.4 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 7.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C137 | G86-C137 WeakPolarHBondContact O-CA 3.27Å; G86-C137 WeakPolarHBondContact O-CB 3.29Å |
| 87 | C | 96.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 75.1 Ų | 75.1 | 12% | 0.122 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -124.7 | 150.1 | -178.5 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | E84 E85 S89 L135 E136 C137 | E84-C87 HydrophobicContact CB-CB 4.09Å; E84-C87 PolarHBondContact O-N 2.84Å; E84-C87 VanDerWaalsContact O-N 3.14Å; E85-C87 PolarHBondContact O-N 2.99Å; C87-S89 PolarHBondContact O-N 2.92Å; C87-L135 HydrophobicContact CB-CB 4.05Å; C87-L135 HydrophobicContact CB-CD1 4.37Å; C87-E136 CarbonylContact C-O 3.48Å; C87-E136 WeakPolarHBondContact CA-O 3.38Å; C87-C137 HydrophobicContact CB-CB 3.97Å; C87-C137 WeakPolarHBondContact CB-SG 3.49Å; C87-C137 WeakPolarHBondContact SG-CB 3.09Å; C87-C137 CovalentContact SG-SG 2.03Å; C87-C137 PolarHBondContact SG-SG 3.49Å |
| 88 | I | 96.9 | Very high | 96.7 | Very high | 96 Ų | 96 | 75.5 Ų | 75.5 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | trans | -72.6 | 124.2 | 175.2 | -57.5 | 173.7 | 0 | 0 | 0 | 109.1 | E136 P138 | I88-E136 HydrophobicContact CD1-CB 4.48Å; I88-E136 PolarHBondContact N-O 3.48Å; I88-P138 HydrophobicContact CD1-CG 4.16Å | ||
| 89 | S | 97.1 | Very high | 96.6 | Very high | 67 Ų | 67 | 72.7 Ų | 72.7 | 47% | 0.469 | 37% | 0.372 | S | S | . | . | trans | -66.9 | 137 | -179.5 | -69.7 | 0 | 0 | 0 | 0 | 112 | V82 S83 C87 | V82-S89 WeakPolarHBondContact O-CA 3.39Å; S83-S89 VanDerWaalsContact CB-OG 3.27Å; S83-S89 WeakPolarHBondContact CB-OG 3.38Å; C87-S89 PolarHBondContact O-N 2.92Å | ||
| 90 | R | 96.1 | Very high | 96.5 | Very high | 136 Ų | 136 | 70.1 Ų | 70.1 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.4 | -178.7 | -171.5 | 174.2 | 176.7 | 175.3 | 4.6 | 111.4 | V82 Q134 L135 | V82-R90 PolarHBondContact N-O 3.42Å; V82-R90 PolarHBondContact O-N 2.79Å; R90-Q134 PolarHBondContact NH1-O 3.32Å; R90-L135 HydrophobicContact CB-CD2 3.71Å |
| 91 | T | 97.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 68.2 Ų | 68.2 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.1 | 173.5 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | R79 Q80 | R79-T91 HydrophobicContact CB-CG2 3.91Å; R79-T91 HydrophobicContact CG-CG2 4.45Å; Q80-T91 WeakPolarHBondContact O-CA 3.26Å |
| 92 | I | 96.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 65.8 Ų | 65.8 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 158.1 | 175.5 | 62.7 | 171.1 | 0 | 0 | 0 | 110.5 | R79 Q80 V82 V133 I149 | R79-I92 WeakPolarHBondContact CA-O 3.49Å; Q80-I92 HydrophobicContact CB-CD1 4.47Å; Q80-I92 HydrophobicContact CB-CG1 4.02Å; Q80-I92 PolarHBondContact N-O 2.84Å; Q80-I92 VanDerWaalsContact O-CG1 3.27Å; Q80-I92 WeakPolarHBondContact O-CG1 3.11Å; Q80-I92 PolarHBondContact O-N 3.14Å; V82-I92 HydrophobicContact CG2-CD1 3.64Å; V82-I92 HydrophobicContact CG2-CG1 4Å; V82-I92 HydrophobicContact CG2-CG2 4.41Å; I92-V133 HydrophobicContact CG2-CG1 4.46Å; I92-V133 HydrophobicContact CG2-CG2 4.04Å; I92-I149 HydrophobicContact CD1-CD1 3.11Å; I92-I149 HydrophobicContact CD1-CG1 4.41Å |
| 93 | I | 96.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 44% | 0.441 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 113.2 | 167.6 | -53.8 | -56.1 | 0 | 0 | 0 | 109.3 | P77 L78 R79 K151 | P77-I93 HydrophobicContact CB-CG2 3.92Å; L78-I93 WeakPolarHBondContact O-CA 3.29Å; R79-I93 HydrophobicContact CG-CD1 3.78Å; I93-K151 WeakPolarHBondContact O-CE 3.45Å; I93-K151 PolarHBondContact O-NZ 2.99Å |
| 94 | N | 97.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -170.1 | 166.2 | -155.1 | -9 | 0 | 0 | 0 | 109.9 | P77 L78 Q80 Q150 K151 V152 | P77-N94 CarbonylContact C-O 3.59Å; P77-N94 WeakPolarHBondContact CA-O 3.23Å; L78-N94 PolarHBondContact N-O 2.78Å; L78-N94 PolarHBondContact O-N 3.12Å; Q80-N94 HydrophobicContact CB-CB 4.27Å; Q80-N94 PolarHBondContact OE1-ND2 3.17Å; N94-Q150 PolarHBondContact ND2-O 2.71Å; N94-K151 VanDerWaalsContact OD1-CA 3.3Å; N94-K151 WeakPolarHBondContact OD1-CA 3.47Å; N94-V152 PolarHBondContact OD1-N 3.05Å |
| 95 | R | 98.2 | Very high | 94 | Very high | 90 Ų | 90 | 72.1 Ų | 72.1 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.2 | 175.2 | -62.4 | 176.1 | -178 | 70 | 5.6 | 111.1 | T75 Q76 V152 | T75-R95 HydrophobicContact CG2-CB 3.62Å; T75-R95 VanDerWaalsContact CG2-CD 3.42Å; T75-R95 HydrophobicContact CG2-CG 4.02Å; Q76-R95 CarbonylContact O-C 3.54Å; Q76-R95 WeakPolarHBondContact O-CA 3.48Å; Q76-R95 VanDerWaalsContact O-CB 3.3Å; Q76-R95 WeakPolarHBondContact O-CB 3.43Å; R95-V152 HydrophobicContact CB-CB 4.03Å; R95-V152 HydrophobicContact CB-CG1 4.22Å; R95-V152 WeakPolarHBondContact CD-O 3.26Å; R95-V152 PolarHBondContact NH1-O 3.31Å; R95-V152 WeakPolarHBondContact O-CB 3.37Å; R95-V152 WeakPolarHBondContact O-CG2 3.44Å |
| 96 | F | 97.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 160.5 | 171 | 73.3 | -79.1 | 0 | 0 | 0 | 110.7 | T75 Q76 L78 Y98 | T75-F96 WeakPolarHBondContact CA-O 3.38Å; Q76-F96 HydrophobicContact CB-CD1 4.05Å; Q76-F96 HydrophobicContact CB-CE1 3.46Å; Q76-F96 VanDerWaalsContact CB-CE1 3.46Å; Q76-F96 HydrophobicContact CB-CZ 3.75Å; Q76-F96 PolarHBondContact N-O 3.14Å; Q76-F96 WeakPolarHBondContact O-CD1 3.06Å; Q76-F96 PolarHBondContact O-N 2.02Å; L78-F96 HydrophobicContact CB-CD1 3.93Å; F96-Y98 HydrophobicContact CD2-CD1 4.14Å; F96-Y98 AromaticContact CE2-CD1 3.48Å; F96-Y98 HydrophobicContact CE2-CD1 3.48Å; F96-Y98 VanDerWaalsContact CE2-CD1 3.48Å; F96-Y98 HydrophobicContact CE2-CE1 4.1Å; F96-Y98 HydrophobicContact CE2-CG 4.27Å; F96-Y98 HydrophobicContact CZ-CD1 4.1Å; F96-Y98 HydrophobicContact CZ-CE1 4.26Å |
| 97 | C | 98.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 68 Ų | 68 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135 | -180 | -55.8 | 0 | 0 | 0 | 0 | 110 | K74 C155 | K74-C97 WeakPolarHBondContact O-CA 3.44Å; C97-C155 WeakPolarHBondContact CA-SG 3.34Å; C97-C155 HydrophobicContact CB-CB 3.62Å; C97-C155 WeakPolarHBondContact CB-SG 3.48Å; C97-C155 WeakPolarHBondContact SG-CB 3.3Å; C97-C155 CovalentContact SG-SG 2.02Å; C97-C155 PolarHBondContact SG-SG 3.44Å |
| 98 | Y | 97.4 | Very high | 91.7 | Very high | 87 Ų | 87 | 73.1 Ų | 73.1 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 149.7 | 165.6 | 73.6 | -82.1 | 0 | 0 | 0 | 110.1 | W72 K74 Q76 F96 C123 | W72-Y98 AromaticContact CH2-CD2 3.51Å; W72-Y98 HydrophobicContact CH2-CD2 3.51Å; W72-Y98 AromaticContact CH2-CE2 3.45Å; W72-Y98 HydrophobicContact CH2-CE2 3.45Å; W72-Y98 VanDerWaalsContact CH2-CE2 3.45Å; W72-Y98 AromaticContact CZ3-CD2 3.49Å; W72-Y98 HydrophobicContact CZ3-CD2 3.49Å; W72-Y98 VanDerWaalsContact CZ3-CD2 3.49Å; W72-Y98 AromaticContact CZ3-CE2 3.32Å; W72-Y98 HydrophobicContact CZ3-CE2 3.32Å; K74-Y98 HydrophobicContact CB-CD1 4.28Å; K74-Y98 HydrophobicContact CB-CE1 3.83Å; K74-Y98 HydrophobicContact CB-CE2 4.37Å; K74-Y98 HydrophobicContact CD-CE1 4.46Å; K74-Y98 HydrophobicContact CD-CE2 4.03Å; K74-Y98 VanDerWaalsContact CD-OH 3.23Å; K74-Y98 WeakPolarHBondContact CD-OH 3.02Å; K74-Y98 PolarHBondContact N-O 2.88Å; K74-Y98 PolarHBondContact O-N 3.48Å; Q76-Y98 HydrophobicContact CB-CE1 4.16Å; Q76-Y98 HydrophobicContact CG-CD1 4.36Å; Q76-Y98 HydrophobicContact CG-CE1 3.42Å; Q76-Y98 VanDerWaalsContact CG-CE1 3.42Å; F96-Y98 HydrophobicContact CD2-CD1 4.14Å; F96-Y98 AromaticContact CE2-CD1 3.48Å; F96-Y98 HydrophobicContact CE2-CD1 3.48Å; F96-Y98 VanDerWaalsContact CE2-CD1 3.48Å; F96-Y98 HydrophobicContact CE2-CE1 4.1Å; F96-Y98 HydrophobicContact CE2-CG 4.27Å; F96-Y98 HydrophobicContact CZ-CD1 4.1Å; F96-Y98 HydrophobicContact CZ-CE1 4.26Å; Y98-C123 PolarHBondContact O-SG 2.88Å |
| 99 | G | 96 | Very high | 90.1 | Very high | 31 Ų | 31 | 77.9 Ų | 77.9 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | 175.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W72 | W72-G99 CarbonylContact O-C 3.24Å; W72-G99 WeakPolarHBondContact O-CA 3.35Å |
| 100 | Q | 93.6 | Very high | 88.2 | Confident | 131 Ų | 131 | 80.8 Ų | 80.8 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 119.3 | 167.4 | -66.9 | 173.4 | -30.5 | 0 | 0 | 106.7 | W72 | W72-Q100 HydrophobicContact CZ2-CB 4.43Å; W72-Q100 HydrophobicContact CZ2-CG 3.86Å; W72-Q100 PolarHBondContact N-O 2.79Å; W72-Q100 PolarHBondContact O-N 3.01Å; W72-Q100 VanDerWaalsContact O-O 3.12Å |
| 101 | C | 91.8 | Very high | 86.3 | Confident | 30 Ų | 30 | 83.7 Ų | 83.7 | 20% | 0.203 | 42% | 0.418 | C | S | . | . | trans | -118.2 | 147.6 | 179.7 | -56 | 0 | 0 | 0 | 0 | 109 | D71 A121 C123 C157 | D71-C101 VanDerWaalsContact OD1-C 3.3Å; D71-C101 VanDerWaalsContact OD1-CA 3.3Å; D71-C101 WeakPolarHBondContact OD1-CA 2.94Å; C101-A121 HydrophobicContact CB-CB 3.91Å; C101-A121 VanDerWaalsContact CB-O 3.3Å; C101-A121 WeakPolarHBondContact CB-O 3.3Å; C101-C123 PolarHBondContact SG-N 2.04Å; C101-C157 VanDerWaalsContact CA-SG 3.59Å; C101-C157 HydrophobicContact CB-CB 3.76Å; C101-C157 WeakPolarHBondContact CB-SG 3.49Å; C101-C157 VanDerWaalsContact SG-CA 3.52Å; C101-C157 WeakPolarHBondContact SG-CB 3.38Å; C101-C157 CovalentContact SG-SG 2.04Å; C101-C157 PolarHBondContact SG-SG 2.95Å | ||
| 102 | N | 87.8 | Confident | 84.2 | Confident | 34 Ų | 34 | 90 Ų | 90 | 18% | 0.182 | 44% | 0.439 | C | S | . | . | trans | -71.7 | 149.5 | -179.7 | -72.7 | -45.7 | 0 | 0 | 0 | 111.3 | K69 D71 F104 A121 | K69-N102 PolarHBondContact O-ND2 2.84Å; D71-N102 VanDerWaalsContact CG-N 3.33Å; D71-N102 VanDerWaalsContact CG-ND2 3.27Å; D71-N102 WeakPolarHBondContact OD1-CB 3.33Å; D71-N102 PolarHBondContact OD1-N 2.83Å; D71-N102 PolarHBondContact OD1-ND2 3.5Å; D71-N102 PolarHBondContact OD1-OD1 2.03Å; D71-N102 PolarHBondContact OD2-N 3.18Å; D71-N102 PolarHBondContact OD2-ND2 3.14Å; N102-F104 HydrophobicContact CB-CE2 3.74Å; N102-F104 HydrophobicContact CB-CZ 3.72Å; N102-A121 PolarHBondContact O-N 3.38Å | ||
| 103 | S | 86.4 | Confident | 82.4 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 57% | 0.566 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.5 | 167 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | S119 | S103-S119 CarbonylContact C-O 3.47Å; S103-S119 WeakPolarHBondContact CA-O 3.01Å |
| 104 | F | 81.2 | Confident | 80.6 | Confident | 37 Ų | 37 | 101.1 Ų | 101.1 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.1 | -175.7 | -55.2 | -81 | 0 | 0 | 0 | 110.4 | A59 L68 N102 I106 Q118 S119 | A59-F104 HydrophobicContact CB-CD1 4.47Å; A59-F104 HydrophobicContact CB-CD2 4.01Å; A59-F104 HydrophobicContact CB-CE1 4.18Å; A59-F104 HydrophobicContact CB-CE2 3.68Å; A59-F104 HydrophobicContact CB-CG 4.4Å; A59-F104 HydrophobicContact CB-CZ 3.78Å; L68-F104 HydrophobicContact CD2-CE1 3.38Å; L68-F104 HydrophobicContact CD2-CZ 3.45Å; L68-F104 VanDerWaalsContact CD2-CZ 3.45Å; N102-F104 HydrophobicContact CB-CE2 3.74Å; N102-F104 HydrophobicContact CB-CZ 3.72Å; F104-I106 HydrophobicContact CB-CD1 4.03Å; F104-Q118 WeakPolarHBondContact O-CA 3.27Å; F104-S119 PolarHBondContact N-O 3.3Å; F104-S119 PolarHBondContact O-N 3.33Å |
| 105 | Y | 83.6 | Confident | 79.3 | Confident | 149 Ų | 149 | 107.6 Ų | 107.6 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.5 | 167.9 | 178.2 | -87.8 | 0 | 0 | 0 | 107.8 | P107 Q118 | Y105-P107 HydrophobicContact CD1-CG 4.38Å; Y105-P107 HydrophobicContact CE1-CG 3.91Å; Y105-Q118 HydrophobicContact CD2-CG 3.72Å; Y105-Q118 HydrophobicContact CE2-CG 4.07Å |
| 106 | I | 79.1 | Confident | 78.3 | Confident | 43 Ų | 43 | 105 Ų | 105 | 22% | 0.221 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.3 | -179 | -67.9 | 127.1 | 0 | 0 | 0 | 108.8 | V62 F104 R108 F117 | V62-I106 HydrophobicContact CB-CD1 3.92Å; V62-I106 HydrophobicContact CG1-CB 4.33Å; V62-I106 HydrophobicContact CG1-CD1 3.26Å; V62-I106 HydrophobicContact CG1-CG1 3.47Å; V62-I106 VanDerWaalsContact CG1-CG1 3.47Å; V62-I106 HydrophobicContact CG1-CG2 4.04Å; V62-I106 HydrophobicContact CG2-CD1 4.02Å; F104-I106 HydrophobicContact CB-CD1 4.03Å; I106-R108 PolarHBondContact O-N 2.97Å; I106-F117 HydrophobicContact CB-CB 4.28Å; I106-F117 HydrophobicContact CB-CD1 4.3Å; I106-F117 HydrophobicContact CD1-CD1 3.46Å; I106-F117 VanDerWaalsContact CD1-CD1 3.46Å; I106-F117 HydrophobicContact CD1-CE1 3.85Å; I106-F117 HydrophobicContact CG1-CD1 4.47Å; I106-F117 PolarHBondContact N-O 2.98Å; I106-F117 PolarHBondContact O-N 3.06Å |
| 107 | P | 81.4 | Confident | 77.3 | Confident | 97 Ų | 97 | 102.5 Ų | 102.5 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 133.9 | 170.5 | -17.1 | 27.6 | 0 | 0 | 0 | 110.5 | Y105 | Y105-P107 HydrophobicContact CD1-CG 4.38Å; Y105-P107 HydrophobicContact CE1-CG 3.91Å |
| 108 | R | 74.6 | Confident | 76.4 | Confident | 125 Ų | 125 | 105.6 Ų | 105.6 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 143 | 169.1 | -68.8 | -172.9 | 177 | -176.5 | 5.3 | 109.7 | I106 E114 | I106-R108 PolarHBondContact O-N 2.97Å; R108-E114 IonicContact CZ-OE2 3.11Å; R108-E114 IonicContact NH1-OE2 2.75Å; R108-E114 PolarHBondContact NH1-OE2 3.4Å |
| 109 | H | 63.7 | Low | 75.6 | Confident | 196 Ų | 196 | 102 Ų | 102 | 91% | 0.907 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 125.2 | 174.9 | -126.6 | 72.3 | 0 | 0 | 0 | 109.6 | ||
| 110 | V | 57.6 | Low | 75.1 | Confident | 129 Ų | 129 | 102 Ų | 102 | 78% | 0.782 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 130.5 | -165.1 | -79.8 | 0 | 0 | 0 | 0 | 116.9 | ||
| 111 | K | 55.5 | Low | 74.9 | Confident | 197 Ų | 197 | 96.2 Ų | 96.2 | 86% | 0.857 | 47% | 0.472 | S | S | * | . | S | Bend | -134.6 | 127.4 | 123.3 | -72.7 | -172.4 | 179.8 | 175.7 | 0 | 107 | |||
| 112 | K | 54.1 | Low | 75 | Confident | 196 Ų | 196 | 100.4 Ų | 100.4 | 85% | 0.852 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -4.9 | 123.4 | -178.2 | -78.8 | 177.4 | 170.1 | -179.2 | 0 | 116.8 | ||
| 113 | E | 58.6 | Low | 75.3 | Confident | 194 Ų | 194 | 100.1 Ų | 100.1 | 91% | 0.907 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | -6 | 160.4 | -59.4 | 172.4 | -168.6 | 0 | 0 | 119.8 | ||
| 114 | E | 58.6 | Low | 75.8 | Confident | 142 Ų | 142 | 99.8 Ų | 99.8 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 122.7 | 173.2 | -71.6 | -166.9 | 178.2 | 0 | 0 | 113.5 | R108 | R108-E114 IonicContact CZ-OE2 3.11Å; R108-E114 IonicContact NH1-OE2 2.75Å; R108-E114 PolarHBondContact NH1-OE2 3.4Å |
| 115 | E | 70.5 | Confident | 76.5 | Confident | 150 Ų | 150 | 100.9 Ų | 100.9 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 152.4 | 174.8 | -62.2 | -177.8 | 165.4 | 0 | 0 | 112 | ||
| 116 | S | 76.6 | Confident | 77.1 | Confident | 35 Ų | 35 | 97.7 Ų | 97.7 | 25% | 0.245 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 144 | 172.6 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | Q118 | S116-Q118 PolarHBondContact O-N 2.04Å; S116-Q118 PolarHBondContact OG-NE2 3.35Å |
| 117 | F | 77 | Confident | 77.9 | Confident | 37 Ų | 37 | 101.6 Ų | 101.6 | 16% | 0.162 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 123.9 | 174.1 | 175.6 | -92.1 | 0 | 0 | 0 | 110.1 | E58 I106 | E58-F117 HydrophobicContact CB-CZ 4.33Å; E58-F117 WeakPolarHBondContact OE2-CE2 3.05Å; I106-F117 HydrophobicContact CB-CB 4.28Å; I106-F117 HydrophobicContact CB-CD1 4.3Å; I106-F117 HydrophobicContact CD1-CD1 3.46Å; I106-F117 VanDerWaalsContact CD1-CD1 3.46Å; I106-F117 HydrophobicContact CD1-CE1 3.85Å; I106-F117 HydrophobicContact CG1-CD1 4.47Å; I106-F117 PolarHBondContact N-O 2.98Å; I106-F117 PolarHBondContact O-N 3.06Å |
| 118 | Q | 78.8 | Confident | 78.6 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.1 | 178.2 | -55.8 | -173.3 | 16.8 | 0 | 0 | 109.2 | F104 Y105 S116 L162 | F104-Q118 WeakPolarHBondContact O-CA 3.27Å; Y105-Q118 HydrophobicContact CD2-CG 3.72Å; Y105-Q118 HydrophobicContact CE2-CG 4.07Å; S116-Q118 PolarHBondContact O-N 2.04Å; S116-Q118 PolarHBondContact OG-NE2 3.35Å; Q118-L162 HydrophobicContact CB-CD1 3.49Å; Q118-L162 VanDerWaalsContact CB-CD1 3.49Å |
| 119 | S | 80.8 | Confident | 79.7 | Confident | 11 Ų | 11 | 96.3 Ų | 96.3 | 8% | 0.077 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 121.6 | 175.8 | -166.6 | 0 | 0 | 0 | 0 | 108.9 | S55 S103 F104 | S55-S119 PolarHBondContact OG-OG 2.87Å; S103-S119 CarbonylContact C-O 3.47Å; S103-S119 WeakPolarHBondContact CA-O 3.01Å; F104-S119 PolarHBondContact N-O 3.3Å; F104-S119 PolarHBondContact O-N 3.33Å |
| 120 | C | 86.1 | Confident | 81.3 | Confident | 33 Ų | 33 | 90.5 Ų | 90.5 | 22% | 0.223 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.7 | 177 | -68.2 | 0 | 0 | 0 | 0 | 109.1 | S159 V160 L162 | C120-S159 CarbonylContact O-C 3.59Å; C120-S159 WeakPolarHBondContact O-CA 3.43Å; C120-V160 HydrophobicContact CB-CG2 3.93Å; C120-V160 WeakPolarHBondContact O-CG2 3.38Å; C120-V160 PolarHBondContact O-N 2.72Å; C120-L162 HydrophobicContact CB-CD2 4.22Å |
| 121 | A | 89.4 | Confident | 83 | Confident | 9 Ų | 9 | 86.2 Ų | 86.2 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C101 N102 C157 M158 | C101-A121 HydrophobicContact CB-CB 3.91Å; C101-A121 VanDerWaalsContact CB-O 3.3Å; C101-A121 WeakPolarHBondContact CB-O 3.3Å; N102-A121 PolarHBondContact O-N 3.38Å; A121-C157 HydrophobicContact CB-CB 4.43Å; A121-M158 CarbonylContact C-O 3.48Å; A121-M158 VanDerWaalsContact CA-O 3.26Å; A121-M158 WeakPolarHBondContact CA-O 3.19Å |
| 122 | F | 92.8 | Very high | 85 | Confident | 118 Ų | 118 | 81.1 Ų | 81.1 | 52% | 0.518 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.6 | 174 | -60.7 | -66.5 | 0 | 0 | 0 | 111.1 | K124 M158 V160 | F122-K124 PolarHBondContact O-N 2.86Å; F122-K124 VanDerWaalsContact O-N 3.09Å; F122-M158 PolarHBondContact N-O 2.78Å; F122-M158 PolarHBondContact O-N 3.36Å; F122-M158 VanDerWaalsContact O-N 3.07Å; F122-V160 HydrophobicContact CD2-CB 4.2Å; F122-V160 HydrophobicContact CD2-CG1 3.49Å; F122-V160 VanDerWaalsContact CD2-CG1 3.49Å; F122-V160 HydrophobicContact CD2-CG2 3.68Å; F122-V160 HydrophobicContact CE2-CB 4.15Å; F122-V160 HydrophobicContact CE2-CG1 3.86Å; F122-V160 HydrophobicContact CE2-CG2 3.3Å; F122-V160 HydrophobicContact CZ-CG2 4.33Å |
| 123 | C | 95.6 | Very high | 87 | Confident | 27 Ų | 27 | 72.2 Ų | 72.2 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 95.9 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 109 | C73 Y98 C101 | C73-C123 HydrophobicContact CB-CB 3.83Å; C73-C123 WeakPolarHBondContact CB-SG 3.27Å; C73-C123 VanDerWaalsContact SG-CA 3.53Å; C73-C123 WeakPolarHBondContact SG-CB 3.03Å; C73-C123 CovalentContact SG-SG 2.04Å; C73-C123 PolarHBondContact SG-SG 3.33Å; Y98-C123 PolarHBondContact O-SG 2.88Å; C101-C123 PolarHBondContact SG-N 2.04Å |
| 124 | K | 95.4 | Very high | 88.8 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 166.4 | -175.5 | 70.4 | 178.9 | 179.5 | -177.2 | 0 | 112.1 | F122 H126 C155 R156 M158 | F122-K124 PolarHBondContact O-N 2.86Å; F122-K124 VanDerWaalsContact O-N 3.09Å; K124-H126 PolarHBondContact O-N 3.45Å; K124-H126 VanDerWaalsContact O-N 3.17Å; K124-C155 VanDerWaalsContact O-CA 3.32Å; K124-C155 WeakPolarHBondContact O-CA 3.45Å; K124-R156 PolarHBondContact N-O 3.46Å; K124-R156 PolarHBondContact O-N 2.95Å; K124-R156 VanDerWaalsContact O-N 3.12Å; K124-M158 HydrophobicContact CD-CB 4.45Å; K124-M158 HydrophobicContact CG-CB 4.21Å; K124-M158 HydrophobicContact CG-CG 4.47Å; K124-M158 HydrophobicContact CG-SD 4.03Å |
| 125 | P | 96.9 | Very high | 90.7 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 119.1 | 176.7 | -24.4 | 35 | 0 | 0 | 0 | 111.5 | V128 V152 | P125-V128 HydrophobicContact CB-CG2 3.61Å; P125-V152 HydrophobicContact CB-CG1 4.2Å; P125-V152 HydrophobicContact CB-CG2 4.26Å; P125-V152 HydrophobicContact CG-CG1 4.4Å; P125-V152 HydrophobicContact CG-CG2 3.99Å |
| 126 | H | 95.2 | Very high | 92 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -35.7 | 173.2 | 174.3 | -104.4 | 0 | 0 | 0 | 111.3 | K124 Q154 R156 M158 | K124-H126 PolarHBondContact O-N 3.45Å; K124-H126 VanDerWaalsContact O-N 3.17Å; H126-Q154 PolarHBondContact N-O 2.96Å; H126-R156 HydrophobicContact CB-CB 4.04Å; H126-R156 HydrophobicContact CB-CG 3.91Å; H126-R156 PolarHBondContact CE1-NH1 3.28Å; H126-R156 PolarHBondContact NE2-NH1 2.81Å; H126-M158 HydrophobicContact CB-SD 4.2Å |
| 127 | K | 96.4 | Very high | 93 | Very high | 125 Ų | 125 | 58.8 Ų | 58.8 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123.6 | 176.7 | -169.5 | 170.1 | -174.6 | 170.4 | 0 | 110.2 | K153 Q154 | K127-K153 HydrophobicContact CB-CB 4.21Å; K127-K153 HydrophobicContact CG-CB 4.19Å; K127-K153 WeakPolarHBondContact O-CB 3.33Å; K127-K153 PolarHBondContact O-N 2.78Å; K127-Q154 HydrophobicContact CB-CB 4.21Å; K127-Q154 PolarHBondContact N-O 2.9Å; K127-Q154 VanDerWaalsContact N-O 3.11Å; K127-Q154 PolarHBondContact O-N 3.37Å |
| 128 | V | 97.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.4 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | P125 Q150 K151 | P125-V128 HydrophobicContact CB-CG2 3.61Å; V128-Q150 HydrophobicContact CG1-CB 3.88Å; V128-Q150 HydrophobicContact CG1-CG 4.22Å; V128-K151 WeakPolarHBondContact CA-O 3.47Å |
| 129 | T | 97 | Very high | 94.6 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.6 | 173.6 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | K151 K153 | T129-K151 PolarHBondContact N-O 2.86Å; T129-K151 PolarHBondContact O-N 2.68Å; T129-K151 PolarHBondContact OG1-O 3.33Å; T129-K153 HydrophobicContact CG2-CD 4.43Å; T129-K153 HydrophobicContact CG2-CG 3.73Å; T129-K153 WeakPolarHBondContact OG1-CE 3.12Å |
| 130 | S | 96.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 67.5 Ų | 67.5 | 51% | 0.51 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 139 | 167.4 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | K148 I149 | S130-K148 VanDerWaalsContact OG-CE 3.26Å; S130-K148 WeakPolarHBondContact OG-CE 3.32Å; S130-I149 WeakPolarHBondContact CA-O 3.12Å |
| 131 | S | 95 | Very high | 95.7 | Very high | 40 Ų | 40 | 73.2 Ų | 73.2 | 28% | 0.28 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 138.4 | 170.7 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | I149 | S131-I149 PolarHBondContact N-O 3.42Å; S131-I149 WeakPolarHBondContact O-CG1 3.48Å; S131-I149 PolarHBondContact O-N 3.39Å |
| 132 | T | 96.9 | Very high | 95.9 | Very high | 89 Ų | 89 | 75.5 Ų | 75.5 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.4 | 172.2 | -53.2 | 0 | 0 | 0 | 0 | 108.2 | L146 | T132-L146 HydrophobicContact CG2-CB 3.84Å; T132-L146 HydrophobicContact CG2-CD2 4.08Å; T132-L146 HydrophobicContact CG2-CG 4.39Å |
| 133 | V | 96.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 73.6 Ų | 73.6 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.2 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | I92 L135 K147 I149 | I92-V133 HydrophobicContact CG2-CG1 4.46Å; I92-V133 HydrophobicContact CG2-CG2 4.04Å; V133-L135 HydrophobicContact CG1-CD2 4.06Å; V133-K147 PolarHBondContact N-O 3.41Å; V133-K147 PolarHBondContact O-N 3.09Å; V133-I149 HydrophobicContact CG2-CD1 3.52Å; V133-I149 HydrophobicContact CG2-CG1 3.89Å |
| 134 | Q | 96.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 76.2 Ų | 76.2 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.9 | 169 | -172.8 | 175.4 | -9.7 | 0 | 0 | 109.2 | R90 F144 R145 L146 | R90-Q134 PolarHBondContact NH1-O 3.32Å; Q134-F144 HydrophobicContact CG-CB 4.12Å; Q134-F144 HydrophobicContact CG-CD2 4.31Å; Q134-R145 CarbonylContact C-O 3.45Å; Q134-R145 WeakPolarHBondContact CA-O 3.39Å; Q134-L146 HydrophobicContact CB-CD2 3.76Å; Q134-L146 HydrophobicContact CG-CD2 3.91Å |
| 135 | L | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 144.2 | 171.3 | -58.9 | 178 | 0 | 0 | 0 | 108.7 | V82 E84 C87 R90 V133 F144 R145 K147 | V82-L135 HydrophobicContact CG1-CD1 4.25Å; V82-L135 HydrophobicContact CG1-CD2 4.37Å; E84-L135 HydrophobicContact CB-CD1 3.54Å; C87-L135 HydrophobicContact CB-CB 4.05Å; C87-L135 HydrophobicContact CB-CD1 4.37Å; R90-L135 HydrophobicContact CB-CD2 3.71Å; V133-L135 HydrophobicContact CG1-CD2 4.06Å; L135-F144 CarbonylContact O-C 3.58Å; L135-F144 WeakPolarHBondContact O-CA 3.46Å; L135-F144 WeakPolarHBondContact O-CB 3.3Å; L135-R145 PolarHBondContact N-O 3.18Å; L135-R145 PolarHBondContact O-N 2.96Å; L135-K147 HydrophobicContact CD1-CB 4.47Å; L135-K147 HydrophobicContact CD1-CD 4.37Å |
| 136 | E | 97.6 | Very high | 96.1 | Very high | 136 Ų | 136 | 79.7 Ų | 79.7 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.6 | 175.9 | -70.4 | 168.3 | -157.6 | 0 | 0 | 108.8 | C87 I88 | C87-E136 CarbonylContact C-O 3.48Å; C87-E136 WeakPolarHBondContact CA-O 3.38Å; I88-E136 HydrophobicContact CD1-CB 4.48Å; I88-E136 PolarHBondContact N-O 3.48Å |
| 137 | C | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 42% | 0.419 | C | S | . | . | trans | -133.5 | 83.2 | -172.8 | -43.4 | 0 | 0 | 0 | 0 | 109.2 | G86 C87 E139 L140 P143 R145 | G86-C137 WeakPolarHBondContact O-CA 3.27Å; G86-C137 WeakPolarHBondContact O-CB 3.29Å; C87-C137 HydrophobicContact CB-CB 3.97Å; C87-C137 WeakPolarHBondContact CB-SG 3.49Å; C87-C137 WeakPolarHBondContact SG-CB 3.09Å; C87-C137 CovalentContact SG-SG 2.03Å; C87-C137 PolarHBondContact SG-SG 3.49Å; C137-E139 PolarHBondContact O-N 3.16Å; C137-E139 VanDerWaalsContact O-N 3.14Å; C137-L140 HydrophobicContact CB-CB 3.97Å; C137-L140 HydrophobicContact CB-CD1 3.73Å; C137-L140 HydrophobicContact CB-CG 3.97Å; C137-L140 PolarHBondContact O-N 2.96Å; C137-P143 PolarHBondContact N-O 2.81Å; C137-P143 CarbonylContact O-C 3.47Å; C137-P143 VanDerWaalsContact O-CA 3.25Å; C137-P143 WeakPolarHBondContact O-CA 3.07Å; C137-R145 VanDerWaalsContact SG-CG 3.52Å; C137-R145 PolarHBondContact SG-N 3.07Å | ||
| 138 | P | 96.3 | Very high | 96.1 | Very high | 97 Ų | 97 | 80.9 Ų | 80.9 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.6 | -170.5 | -24.4 | 34.2 | 0 | 0 | 0 | 114.6 | I88 | I88-P138 HydrophobicContact CD1-CG 4.16Š|
| 139 | E | 94.7 | Very high | 96 | Very high | 174 Ų | 174 | 78.4 Ų | 78.4 | 81% | 0.813 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 0.7 | -175.2 | -60.8 | 179 | -179.7 | 0 | 0 | 113.2 | C137 | C137-E139 PolarHBondContact O-N 3.16Å; C137-E139 VanDerWaalsContact O-N 3.14Å |
| 140 | L | 94.4 | Very high | 96 | Very high | 56 Ų | 56 | 83.3 Ų | 83.3 | 29% | 0.293 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -110.2 | 154.5 | -178.5 | -60.7 | -177.5 | 0 | 0 | 0 | 111.6 | C137 P142 P143 R145 | C137-L140 HydrophobicContact CB-CB 3.97Å; C137-L140 HydrophobicContact CB-CD1 3.73Å; C137-L140 HydrophobicContact CB-CG 3.97Å; C137-L140 PolarHBondContact O-N 2.96Å; L140-P142 CarbonylContact C-O 3.51Å; L140-P142 CarbonylContact O-C 3.56Å; L140-P142 VanDerWaalsContact O-C 3.24Å; L140-P143 VanDerWaalsContact O-CA 3.25Å; L140-P143 WeakPolarHBondContact O-CA 3.03Å; L140-R145 HydrophobicContact CD1-CG 4.21Å |
| 141 | D | 94.1 | Very high | 96 | Very high | 153 Ų | 153 | 81.7 Ų | 81.7 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -117.8 | 116.8 | 168.1 | -173.8 | 29.8 | 0 | 0 | 0 | 109.8 | ||
| 142 | P | 94.2 | Very high | 96.2 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 37% | 0.37 | 41% | 0.405 | S | S | . | . | S | Bend | cis | -68.8 | 159 | -2.6 | 30.9 | -36.5 | 0 | 0 | 0 | 112.7 | L140 F144 | L140-P142 CarbonylContact C-O 3.51Å; L140-P142 CarbonylContact O-C 3.56Å; L140-P142 VanDerWaalsContact O-C 3.24Å; P142-F144 HydrophobicContact CB-CD1 4.04Å; P142-F144 HydrophobicContact CB-CE1 3.75Å; P142-F144 HydrophobicContact CB-CZ 4.39Å; P142-F144 HydrophobicContact CG-CE1 4.23Å; P142-F144 HydrophobicContact CG-CZ 4.42Å; P142-F144 PolarHBondContact O-N 3.41Å |
| 143 | P | 96.2 | Very high | 96.2 | Very high | 78 Ų | 78 | 81.3 Ų | 81.3 | 51% | 0.506 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -76.8 | 28.9 | -172.9 | 32.8 | -37.9 | 0 | 0 | 0 | 114 | C137 L140 | C137-P143 PolarHBondContact N-O 2.81Å; C137-P143 CarbonylContact O-C 3.47Å; C137-P143 VanDerWaalsContact O-CA 3.25Å; C137-P143 WeakPolarHBondContact O-CA 3.07Å; L140-P143 VanDerWaalsContact O-CA 3.25Å; L140-P143 WeakPolarHBondContact O-CA 3.03Å |
| 144 | F | 96.3 | Very high | 96.2 | Very high | 82 Ų | 82 | 84.2 Ų | 84.2 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 153.8 | 177.4 | 67.9 | -88.4 | 0 | 0 | 0 | 111.9 | Q134 L135 P142 L146 | Q134-F144 HydrophobicContact CG-CB 4.12Å; Q134-F144 HydrophobicContact CG-CD2 4.31Å; L135-F144 CarbonylContact O-C 3.58Å; L135-F144 WeakPolarHBondContact O-CA 3.46Å; L135-F144 WeakPolarHBondContact O-CB 3.3Å; P142-F144 HydrophobicContact CB-CD1 4.04Å; P142-F144 HydrophobicContact CB-CE1 3.75Å; P142-F144 HydrophobicContact CB-CZ 4.39Å; P142-F144 HydrophobicContact CG-CE1 4.23Å; P142-F144 HydrophobicContact CG-CZ 4.42Å; P142-F144 PolarHBondContact O-N 3.41Å; F144-L146 HydrophobicContact CD2-CD2 4.38Å; F144-L146 HydrophobicContact CD2-CG 4.28Å; F144-L146 HydrophobicContact CE2-CG 4.24Å |
| 145 | R | 96.2 | Very high | 96.2 | Very high | 101 Ų | 101 | 79.8 Ų | 79.8 | 38% | 0.381 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.8 | 171.8 | -70.1 | -71.4 | -177.6 | -169.7 | -1.9 | 110.9 | E84 Q134 L135 C137 L140 | E84-R145 WeakPolarHBondContact OE1-CB 3.34Å; E84-R145 WeakPolarHBondContact OE1-CD 3.12Å; E84-R145 VanDerWaalsContact OE1-CG 3.29Å; E84-R145 WeakPolarHBondContact OE1-CG 3.45Å; E84-R145 WeakPolarHBondContact OE2-CB 3.3Å; Q134-R145 CarbonylContact C-O 3.45Å; Q134-R145 WeakPolarHBondContact CA-O 3.39Å; L135-R145 PolarHBondContact N-O 3.18Å; L135-R145 PolarHBondContact O-N 2.96Å; C137-R145 VanDerWaalsContact SG-CG 3.52Å; C137-R145 PolarHBondContact SG-N 3.07Å; L140-R145 HydrophobicContact CD1-CG 4.21Å |
| 146 | L | 95.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 85.1 Ų | 85.1 | 56% | 0.56 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 109.4 | 178 | -65 | -179.9 | 0 | 0 | 0 | 109.4 | T132 Q134 F144 | T132-L146 HydrophobicContact CG2-CB 3.84Å; T132-L146 HydrophobicContact CG2-CD2 4.08Å; T132-L146 HydrophobicContact CG2-CG 4.39Å; Q134-L146 HydrophobicContact CB-CD2 3.76Å; Q134-L146 HydrophobicContact CG-CD2 3.91Å; F144-L146 HydrophobicContact CD2-CD2 4.38Å; F144-L146 HydrophobicContact CD2-CG 4.28Å; F144-L146 HydrophobicContact CE2-CG 4.24Å |
| 147 | K | 95.4 | Very high | 95.9 | Very high | 77 Ų | 77 | 79.3 Ų | 79.3 | 34% | 0.335 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121 | -179.1 | -168 | 149.1 | 178.6 | 166 | 0 | 111.2 | V82 S83 V133 L135 I149 | V82-K147 HydrophobicContact CG1-CB 4.33Å; V82-K147 HydrophobicContact CG1-CD 3.66Å; V82-K147 HydrophobicContact CG1-CG 4.06Å; S83-K147 PolarHBondContact O-NZ 3.03Å; V133-K147 PolarHBondContact N-O 3.41Å; V133-K147 PolarHBondContact O-N 3.09Å; L135-K147 HydrophobicContact CD1-CB 4.47Å; L135-K147 HydrophobicContact CD1-CD 4.37Å; K147-I149 HydrophobicContact CG-CG2 4.49Å |
| 148 | K | 96.3 | Very high | 95.4 | Very high | 155 Ų | 155 | 82.4 Ų | 82.4 | 67% | 0.674 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.8 | 175.3 | -163.8 | 176.6 | -177.1 | 176 | 0 | 109.5 | S130 | S130-K148 VanDerWaalsContact OG-CE 3.26Å; S130-K148 WeakPolarHBondContact OG-CE 3.32Å |
| 149 | I | 96 | Very high | 94.9 | Very high | 14 Ų | 14 | 80.8 Ų | 80.8 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.8 | 179.7 | 55.1 | 158.1 | 0 | 0 | 0 | 110.5 | V82 I92 S130 S131 V133 K147 K151 | V82-I149 HydrophobicContact CG1-CG2 4.38Å; V82-I149 HydrophobicContact CG2-CG2 4.06Å; I92-I149 HydrophobicContact CD1-CD1 3.11Å; I92-I149 HydrophobicContact CD1-CG1 4.41Å; S130-I149 WeakPolarHBondContact CA-O 3.12Å; S131-I149 PolarHBondContact N-O 3.42Å; S131-I149 WeakPolarHBondContact O-CG1 3.48Å; S131-I149 PolarHBondContact O-N 3.39Å; V133-I149 HydrophobicContact CG2-CD1 3.52Å; V133-I149 HydrophobicContact CG2-CG1 3.89Å; K147-I149 HydrophobicContact CG-CG2 4.49Å; I149-K151 HydrophobicContact CD1-CD 4.1Å; I149-K151 HydrophobicContact CD1-CG 3.85Å; I149-K151 HydrophobicContact CG1-CG 4.42Å |
| 150 | Q | 96.2 | Very high | 94.2 | Very high | 148 Ų | 148 | 74.3 Ų | 74.3 | 69% | 0.692 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.5 | 169.7 | -71.3 | -174.9 | -26.4 | 0 | 0 | 110.1 | N94 V128 | N94-Q150 PolarHBondContact ND2-O 2.71Å; V128-Q150 HydrophobicContact CG1-CB 3.88Å; V128-Q150 HydrophobicContact CG1-CG 4.22Å |
| 151 | K | 96.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 78 Ų | 78 | 17% | 0.17 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.8 | 174.3 | -64.6 | -162.2 | 113.2 | 170.8 | 0 | 111 | I93 N94 V128 T129 I149 K153 | I93-K151 WeakPolarHBondContact O-CE 3.45Å; I93-K151 PolarHBondContact O-NZ 2.99Å; N94-K151 VanDerWaalsContact OD1-CA 3.3Å; N94-K151 WeakPolarHBondContact OD1-CA 3.47Å; V128-K151 WeakPolarHBondContact CA-O 3.47Å; T129-K151 PolarHBondContact N-O 2.86Å; T129-K151 PolarHBondContact O-N 2.68Å; T129-K151 PolarHBondContact OG1-O 3.33Å; I149-K151 HydrophobicContact CD1-CD 4.1Å; I149-K151 HydrophobicContact CD1-CG 3.85Å; I149-K151 HydrophobicContact CG1-CG 4.42Å; K151-K153 PolarHBondContact O-N 3.01Å |
| 152 | V | 98.2 | Very high | 91.5 | Very high | 19 Ų | 19 | 73.4 Ų | 73.4 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 127.9 | 171.6 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | T75 N94 R95 P125 | T75-V152 HydrophobicContact CG2-CG1 4.27Å; N94-V152 PolarHBondContact OD1-N 3.05Å; R95-V152 HydrophobicContact CB-CB 4.03Å; R95-V152 HydrophobicContact CB-CG1 4.22Å; R95-V152 WeakPolarHBondContact CD-O 3.26Å; R95-V152 PolarHBondContact NH1-O 3.31Å; R95-V152 WeakPolarHBondContact O-CB 3.37Å; R95-V152 WeakPolarHBondContact O-CG2 3.44Å; P125-V152 HydrophobicContact CB-CG1 4.2Å; P125-V152 HydrophobicContact CB-CG2 4.26Å; P125-V152 HydrophobicContact CG-CG1 4.4Å; P125-V152 HydrophobicContact CG-CG2 3.99Å |
| 153 | K | 97.4 | Very high | 89.8 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 44% | 0.443 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -41 | 176.7 | -67 | -66.9 | -177.6 | 168 | 0 | 111.9 | K127 T129 K151 | K127-K153 HydrophobicContact CB-CB 4.21Å; K127-K153 HydrophobicContact CG-CB 4.19Å; K127-K153 WeakPolarHBondContact O-CB 3.33Å; K127-K153 PolarHBondContact O-N 2.78Å; T129-K153 HydrophobicContact CG2-CD 4.43Å; T129-K153 HydrophobicContact CG2-CG 3.73Å; T129-K153 WeakPolarHBondContact OG1-CE 3.12Å; K151-K153 PolarHBondContact O-N 3.01Å |
| 154 | Q | 97 | Very high | 87.6 | Confident | 72 Ų | 72 | 80.1 Ų | 80.1 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 142.6 | -176.7 | -172.9 | 176.1 | 17.1 | 0 | 0 | 110.5 | H126 K127 | H126-Q154 PolarHBondContact N-O 2.96Å; K127-Q154 HydrophobicContact CB-CB 4.21Å; K127-Q154 PolarHBondContact N-O 2.9Å; K127-Q154 VanDerWaalsContact N-O 3.11Å; K127-Q154 PolarHBondContact O-N 3.37Å |
| 155 | C | 97 | Very high | 85.3 | Confident | 6 Ų | 6 | 80.8 Ų | 80.8 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 148.9 | 173.5 | -49.1 | 0 | 0 | 0 | 0 | 109.9 | C73 T75 C97 K124 | C73-C155 VanDerWaalsContact SG-CB 3.57Å; T75-C155 VanDerWaalsContact OG1-CB 3.27Å; T75-C155 WeakPolarHBondContact OG1-CB 3.39Å; T75-C155 PolarHBondContact OG1-N 3.32Å; T75-C155 PolarHBondContact OG1-SG 3.31Å; C97-C155 WeakPolarHBondContact CA-SG 3.34Å; C97-C155 HydrophobicContact CB-CB 3.62Å; C97-C155 WeakPolarHBondContact CB-SG 3.48Å; C97-C155 WeakPolarHBondContact SG-CB 3.3Å; C97-C155 CovalentContact SG-SG 2.02Å; C97-C155 PolarHBondContact SG-SG 3.44Å; K124-C155 VanDerWaalsContact O-CA 3.32Å; K124-C155 WeakPolarHBondContact O-CA 3.45Å |
| 156 | R | 94.7 | Very high | 82.8 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 157.3 | 172.3 | -68 | -173.8 | 174.2 | 168.7 | -11.6 | 110.2 | C73 K124 H126 M158 | C73-R156 VanDerWaalsContact SG-CA 3.57Å; C73-R156 PolarHBondContact SG-N 3.18Å; C73-R156 VanDerWaalsContact SG-N 3.45Å; K124-R156 PolarHBondContact N-O 3.46Å; K124-R156 PolarHBondContact O-N 2.95Å; K124-R156 VanDerWaalsContact O-N 3.12Å; H126-R156 HydrophobicContact CB-CB 4.04Å; H126-R156 HydrophobicContact CB-CG 3.91Å; H126-R156 PolarHBondContact CE1-NH1 3.28Å; H126-R156 PolarHBondContact NE2-NH1 2.81Å; R156-M158 HydrophobicContact CB-CG 4.27Å; R156-M158 PolarHBondContact O-N 2.87Å |
| 157 | C | 93 | Very high | 80.1 | Confident | 14 Ų | 14 | 83.9 Ų | 83.9 | 10% | 0.095 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 121.4 | 163.6 | -69.1 | 0 | 0 | 0 | 0 | 108.5 | L53 C101 A121 | L53-C157 HydrophobicContact CD1-CB 4.13Å; C101-C157 VanDerWaalsContact CA-SG 3.59Å; C101-C157 HydrophobicContact CB-CB 3.76Å; C101-C157 WeakPolarHBondContact CB-SG 3.49Å; C101-C157 VanDerWaalsContact SG-CA 3.52Å; C101-C157 WeakPolarHBondContact SG-CB 3.38Å; C101-C157 CovalentContact SG-SG 2.04Å; C101-C157 PolarHBondContact SG-SG 2.95Å; A121-C157 HydrophobicContact CB-CB 4.43Å |
| 158 | M | 88.1 | Confident | 77.2 | Confident | 65 Ų | 65 | 92.1 Ų | 92.1 | 32% | 0.32 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.7 | -176.3 | -66.9 | 179.7 | 70.7 | 0 | 0 | 109.4 | A121 F122 K124 H126 R156 | A121-M158 CarbonylContact C-O 3.48Å; A121-M158 VanDerWaalsContact CA-O 3.26Å; A121-M158 WeakPolarHBondContact CA-O 3.19Å; F122-M158 PolarHBondContact N-O 2.78Å; F122-M158 PolarHBondContact O-N 3.36Å; F122-M158 VanDerWaalsContact O-N 3.07Å; K124-M158 HydrophobicContact CD-CB 4.45Å; K124-M158 HydrophobicContact CG-CB 4.21Å; K124-M158 HydrophobicContact CG-CG 4.47Å; K124-M158 HydrophobicContact CG-SD 4.03Å; H126-M158 HydrophobicContact CB-SD 4.2Å; R156-M158 HydrophobicContact CB-CG 4.27Å; R156-M158 PolarHBondContact O-N 2.87Å |
| 159 | S | 84.9 | Confident | 76.2 | Confident | 63 Ų | 63 | 89 Ų | 89 | 44% | 0.441 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 148.9 | 176.5 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | C120 | C120-S159 CarbonylContact O-C 3.59Å; C120-S159 WeakPolarHBondContact O-CA 3.43Å |
| 160 | V | 79.5 | Confident | 75.2 | Confident | 39 Ų | 39 | 92.9 Ų | 92.9 | 24% | 0.236 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 145.1 | 166.6 | -73.8 | 0 | 0 | 0 | 0 | 110.4 | C120 F122 L162 | C120-V160 HydrophobicContact CB-CG2 3.93Å; C120-V160 WeakPolarHBondContact O-CG2 3.38Å; C120-V160 PolarHBondContact O-N 2.72Å; F122-V160 HydrophobicContact CD2-CB 4.2Å; F122-V160 HydrophobicContact CD2-CG1 3.49Å; F122-V160 VanDerWaalsContact CD2-CG1 3.49Å; F122-V160 HydrophobicContact CD2-CG2 3.68Å; F122-V160 HydrophobicContact CE2-CB 4.15Å; F122-V160 HydrophobicContact CE2-CG1 3.86Å; F122-V160 HydrophobicContact CE2-CG2 3.3Å; F122-V160 HydrophobicContact CZ-CG2 4.33Å; V160-L162 HydrophobicContact CG2-CD2 4.23Å; V160-L162 PolarHBondContact O-N 3.23Å |
| 161 | N | 68.1 | Low | 74 | Confident | 132 Ų | 132 | 89.8 Ų | 89.8 | 71% | 0.706 | 48% | 0.484 | S | S | * | . | trans | -81.4 | 112.5 | 169.5 | -67.9 | -28 | 0 | 0 | 0 | 108 | N163 N164 | N161-N163 PolarHBondContact O-N 3.45Å; N161-N164 PolarHBondContact O-N 3.06Å | ||
| 162 | L | 63.8 | Low | 72.7 | Confident | 58 Ų | 58 | 92.8 Ų | 92.8 | 30% | 0.304 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -68.3 | -17.1 | -178.8 | -64.1 | 168.7 | 0 | 0 | 0 | 112.6 | Q118 C120 V160 N164 S165 | Q118-L162 HydrophobicContact CB-CD1 3.49Å; Q118-L162 VanDerWaalsContact CB-CD1 3.49Å; C120-L162 HydrophobicContact CB-CD2 4.22Å; V160-L162 HydrophobicContact CG2-CD2 4.23Å; V160-L162 PolarHBondContact O-N 3.23Å; L162-N164 PolarHBondContact O-N 3.47Å; L162-S165 PolarHBondContact O-N 2.75Å; L162-S165 PolarHBondContact O-OG 3Å |
| 163 | N | 57.9 | Low | 71.1 | Confident | 138 Ų | 138 | 97.4 Ų | 97.4 | 74% | 0.738 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -68.7 | -13.2 | 178.6 | -65 | 19.1 | 0 | 0 | 0 | 114.5 | N161 | N161-N163 PolarHBondContact O-N 3.45Š|
| 164 | N | 50.5 | Low | 69.3 | Low | 137 Ų | 137 | 97.1 Ų | 97.1 | 73% | 0.733 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -104.8 | 9.4 | -178.1 | -84.6 | 18.9 | 0 | 0 | 0 | 114.2 | N161 L162 G166 | N161-N164 PolarHBondContact O-N 3.06Å; L162-N164 PolarHBondContact O-N 3.47Å; N164-G166 PolarHBondContact O-N 3.07Å |
| 165 | S | 48.3 | Very low | 67.3 | Low | 96 Ų | 96 | 98.9 Ų | 98.9 | 67% | 0.671 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 2.5 | -174 | -42.1 | 0 | 0 | 0 | 0 | 114.5 | L162 | L162-S165 PolarHBondContact O-N 2.75Å; L162-S165 PolarHBondContact O-OG 3Å |
| 166 | G | 44.7 | Very low | 65.1 | Low | 75 Ų | 75 | 106.1 Ų | 106.1 | 77% | 0.773 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 13.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | N164 | N164-G166 PolarHBondContact O-N 3.07Š|
| 167 | K | 37.7 | Very low | 62.6 | Low | 199 Ų | 199 | 105.4 Ų | 105.4 | 87% | 0.865 | 60% | 0.599 | S | S | * | * | trans | -134 | 87.2 | 170.7 | -78.7 | -173.8 | -180 | 178.7 | 0 | 110.3 | ||||
| 168 | L | 34.6 | Very low | 59.8 | Low | 249 Ų | 249 | 113.7 Ų | 113.7 | 100% | 1.304 | 65% | 0.645 | S | S | * | * | trans | -121.4 | 0 | 148.8 | -146.2 | 99.8 | 0 | 0 | 0 | 107.6 |
Retrieved 168 of 168 residues in 241.6 ms
(Link to these results)