| 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 | 60.4 | Low | 69.8 | Low | 212 Ų | 212 | 110.6 Ų | 110.6 | 100% | 1.044 | 62% | 0.624 | S | S | * | * | 0 | -53.6 | 0 | -62.1 | -178.2 | 81.3 | 0 | 0 | 112.1 | G3 M4 | M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.36Å; M1-M4 PolarHBondContact O-N 3.46Å; M1-M4 VanDerWaalsContact O-N 3.1Å | |||
| 2 | F | 66.7 | Low | 69.4 | Low | 175 Ų | 175 | 108.3 Ų | 108.3 | 77% | 0.768 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -51.1 | -38.9 | -179.3 | -66.9 | -80.2 | 0 | 0 | 0 | 116.3 | M4 L5 L6 | F2-M4 PolarHBondContact O-N 2.86Å; F2-L5 PolarHBondContact O-N 2.74Å; F2-L6 PolarHBondContact O-N 3.13Å; F2-L6 VanDerWaalsContact O-N 3.14Å |
| 3 | G | 71.6 | Confident | 68.9 | Low | 43 Ų | 43 | 105.2 Ų | 105.2 | 44% | 0.443 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -59.2 | -30.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1 L6 L7 | M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.36Å; G3-L6 PolarHBondContact O-N 3.46Å; G3-L7 VanDerWaalsContact O-CD1 3.29Å; G3-L7 WeakPolarHBondContact O-CD1 3.49Å; G3-L7 PolarHBondContact O-N 3.31Å; G3-L7 VanDerWaalsContact O-N 3.1Å |
| 4 | M | 74.3 | Confident | 68.3 | Low | 141 Ų | 141 | 108.3 Ų | 108.3 | 70% | 0.695 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.8 | -38.1 | 178.1 | -128.1 | -62.1 | 174 | 0 | 0 | 111.6 | M1 F2 L6 L7 C8 | M1-M4 PolarHBondContact O-N 3.46Å; M1-M4 VanDerWaalsContact O-N 3.1Å; F2-M4 PolarHBondContact O-N 2.86Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L7 PolarHBondContact O-N 2.78Å; M4-C8 WeakPolarHBondContact O-CB 2.98Å; M4-C8 PolarHBondContact O-N 3.37Å |
| 5 | L | 73.4 | Confident | 67.7 | Low | 117 Ų | 117 | 109.8 Ų | 109.8 | 61% | 0.613 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62 | -42.9 | 171.8 | -92.8 | 72.3 | 0 | 0 | 0 | 111.1 | F2 C8 C9 | F2-L5 PolarHBondContact O-N 2.74Å; L5-C8 PolarHBondContact O-N 3.3Å; L5-C9 WeakPolarHBondContact O-CB 3.35Å; L5-C9 PolarHBondContact O-N 2.95Å; L5-C9 PolarHBondContact O-SG 3.07Å |
| 6 | L | 72.8 | Confident | 67.3 | Low | 124 Ų | 124 | 117.7 Ų | 117.7 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.7 | -41.8 | 179.5 | -67 | 173.5 | 0 | 0 | 0 | 112.4 | F2 G3 M4 A10 | F2-L6 PolarHBondContact O-N 3.13Å; F2-L6 VanDerWaalsContact O-N 3.14Å; G3-L6 PolarHBondContact O-N 3.46Å; M4-L6 VanDerWaalsContact C-N 3.34Å; L6-A10 WeakPolarHBondContact O-CB 3.47Å; L6-A10 PolarHBondContact O-N 2.03Å; L6-A10 VanDerWaalsContact O-N 3.08Å |
| 7 | L | 71.4 | Confident | 66.8 | Low | 126 Ų | 126 | 117.5 Ų | 117.5 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63 | -44.2 | 172.7 | -95.4 | 78.6 | 0 | 0 | 0 | 111.8 | G3 M4 C9 A10 S11 | G3-L7 VanDerWaalsContact O-CD1 3.29Å; G3-L7 WeakPolarHBondContact O-CD1 3.49Å; G3-L7 PolarHBondContact O-N 3.31Å; G3-L7 VanDerWaalsContact O-N 3.1Å; M4-L7 PolarHBondContact O-N 2.78Å; L7-C9 PolarHBondContact O-N 2.84Å; L7-A10 PolarHBondContact O-N 3.12Å; L7-S11 PolarHBondContact O-N 2.04Å; L7-S11 VanDerWaalsContact O-N 3.07Å; L7-S11 PolarHBondContact O-OG 3.36Å |
| 8 | C | 73.8 | Confident | 66.4 | Low | 71 Ų | 71 | 116.4 Ų | 116.4 | 48% | 0.48 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -63.1 | -43 | -179 | -159.7 | 0 | 0 | 0 | 0 | 111.8 | M4 L5 A10 S11 S12 | M4-C8 WeakPolarHBondContact O-CB 2.98Å; M4-C8 PolarHBondContact O-N 3.37Å; L5-C8 PolarHBondContact O-N 3.3Å; C8-A10 PolarHBondContact O-N 2.83Å; C8-S11 WeakPolarHBondContact CA-OG 2.93Å; C8-S11 PolarHBondContact O-N 2.04Å; C8-S11 PolarHBondContact O-OG 2.83Å; C8-S12 PolarHBondContact O-N 2.92Å; C8-S12 PolarHBondContact O-OG 2.77Å; C8-S12 VanDerWaalsContact O-OG 3.09Å |
| 9 | C | 69.3 | Low | 65.9 | Low | 88 Ų | 88 | 115.2 Ų | 115.2 | 60% | 0.595 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.1 | -37.8 | 174.7 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | L5 L7 S12 G13 | L5-C9 WeakPolarHBondContact O-CB 3.35Å; L5-C9 PolarHBondContact O-N 2.95Å; L5-C9 PolarHBondContact O-SG 3.07Å; L7-C9 PolarHBondContact O-N 2.84Å; C9-S12 PolarHBondContact O-N 2.91Å; C9-G13 PolarHBondContact O-N 2.88Å |
| 10 | A | 68.6 | Low | 65.4 | Low | 61 Ų | 61 | 115.6 Ų | 115.6 | 50% | 0.504 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -64.7 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L6 L7 C8 G13 | L6-A10 WeakPolarHBondContact O-CB 3.47Å; L6-A10 PolarHBondContact O-N 2.03Å; L6-A10 VanDerWaalsContact O-N 3.08Å; L7-A10 PolarHBondContact O-N 3.12Å; C8-A10 PolarHBondContact O-N 2.83Å; A10-G13 PolarHBondContact O-N 3.12Å |
| 11 | S | 66.1 | Low | 64.8 | Low | 59 Ų | 59 | 117.9 Ų | 117.9 | 41% | 0.413 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -63.5 | -39.8 | 173.1 | 41.2 | 0 | 0 | 0 | 0 | 112.9 | L7 C8 G13 L14 L15 | L7-S11 PolarHBondContact O-N 2.04Å; L7-S11 VanDerWaalsContact O-N 3.07Å; L7-S11 PolarHBondContact O-OG 3.36Å; C8-S11 WeakPolarHBondContact CA-OG 2.93Å; C8-S11 PolarHBondContact O-N 2.04Å; C8-S11 PolarHBondContact O-OG 2.83Å; S11-G13 VanDerWaalsContact C-N 3.26Å; S11-G13 PolarHBondContact O-N 3.2Å; S11-L14 PolarHBondContact O-N 2.87Å; S11-L14 VanDerWaalsContact O-N 3.17Å; S11-L15 WeakPolarHBondContact O-CD1 3.05Å; S11-L15 PolarHBondContact O-N 3.07Å |
| 12 | S | 64.9 | Low | 64.4 | Low | 83 Ų | 83 | 113.5 Ų | 113.5 | 58% | 0.58 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.5 | -27.4 | 178.3 | -56.4 | 0 | 0 | 0 | 0 | 113.4 | C8 C9 L14 | C8-S12 PolarHBondContact O-N 2.92Å; C8-S12 PolarHBondContact O-OG 2.77Å; C8-S12 VanDerWaalsContact O-OG 3.09Å; C9-S12 PolarHBondContact O-N 2.91Å; S12-L14 VanDerWaalsContact C-N 3.33Å |
| 13 | G | 62.4 | Low | 63.5 | Low | 67 Ų | 67 | 114.5 Ų | 114.5 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -74.3 | -18.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C9 A10 S11 | C9-G13 PolarHBondContact O-N 2.88Å; A10-G13 PolarHBondContact O-N 3.12Å; S11-G13 VanDerWaalsContact C-N 3.26Å; S11-G13 PolarHBondContact O-N 3.2Å |
| 14 | L | 60.5 | Low | 62.2 | Low | 149 Ų | 149 | 115.7 Ų | 115.7 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -92.9 | -25.8 | 178.9 | -66.3 | 173.8 | 0 | 0 | 0 | 112.8 | S11 S12 R16 | S11-L14 PolarHBondContact O-N 2.87Å; S11-L14 VanDerWaalsContact O-N 3.17Å; S12-L14 VanDerWaalsContact C-N 3.33Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 2.03Å |
| 15 | L | 59.8 | Low | 61.5 | Low | 131 Ų | 131 | 112.6 Ų | 112.6 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | trans | -80.2 | 83.8 | 170.9 | -83.7 | 77.4 | 0 | 0 | 0 | 109.7 | S11 P17 | S11-L15 WeakPolarHBondContact O-CD1 3.05Å; S11-L15 PolarHBondContact O-N 3.07Å; L15-P17 WeakPolarHBondContact O-CD 3.33Å | ||
| 16 | R | 60.6 | Low | 60.2 | Low | 236 Ų | 236 | 114.6 Ų | 114.6 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | trans | -68.1 | 108 | 171.3 | -157.7 | 176.1 | -167.7 | 164.5 | 2.2 | 108.7 | L14 A18 | L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 2.03Å; R16-A18 PolarHBondContact O-N 2.74Å; R16-A18 VanDerWaalsContact O-N 3.07Å | ||
| 17 | P | 60 | Low | 58.9 | Low | 115 Ų | 115 | 118.2 Ų | 118.2 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | trans | -76.6 | 104.9 | -179.2 | 31.3 | -30 | 0 | 0 | 0 | 108.3 | L15 A19 | L15-P17 WeakPolarHBondContact O-CD 3.33Å; P17-A19 PolarHBondContact O-N 2.94Å | ||
| 18 | A | 59.3 | Low | 57.7 | Low | 97 Ų | 97 | 120.5 Ų | 120.5 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | -73.6 | 70.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | R16 S20 | R16-A18 PolarHBondContact O-N 2.74Å; R16-A18 VanDerWaalsContact O-N 3.07Å; A18-S20 PolarHBondContact O-N 3.13Å | ||
| 19 | A | 57 | Low | 56.3 | Low | 93 Ų | 93 | 122.2 Ų | 122.2 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -65 | 117.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | P17 | P17-A19 PolarHBondContact O-N 2.94Š|
| 20 | S | 54.6 | Low | 54.9 | Low | 123 Ų | 123 | 126 Ų | 126 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 134.7 | -166.8 | -48.5 | 0 | 0 | 0 | 0 | 113.3 | A18 | A18-S20 PolarHBondContact O-N 3.13Š|
| 21 | L | 53.6 | Low | 53.3 | Low | 165 Ų | 165 | 129.1 Ų | 129.1 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 117.6 | 168.1 | -155.8 | 111.3 | 0 | 0 | 0 | 110.1 | ||
| 22 | V | 52.4 | Low | 52.3 | Low | 119 Ų | 119 | 131.7 Ų | 131.7 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | trans | 66.3 | 120.6 | 152.5 | 168 | 0 | 0 | 0 | 0 | 119 | ||||
| 23 | H | 47.1 | Very low | 51.4 | Low | 197 Ų | 197 | 133.4 Ų | 133.4 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | trans | -72.6 | 119.6 | 158.9 | -176.9 | 85.1 | 0 | 0 | 0 | 109.8 | ||||
| 24 | G | 45.5 | Very low | 50 | Low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 162.8 | 108.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 25 | G | 57.9 | Low | 49.3 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -86 | 162.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 26 | I | 46 | Very low | 48.5 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -151.6 | 130.6 | 143.1 | -104 | 162.6 | 0 | 0 | 0 | 106.3 | ||||
| 27 | R | 46.7 | Very low | 48 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -76.6 | 133.3 | 162.5 | -78.5 | -164.9 | 84.4 | -159.3 | 7.4 | 107.6 | D29 | R27-D29 IonicContact CZ-OD1 3.73Å; R27-D29 IonicContact NH2-OD1 2.68Å; R27-D29 PolarHBondContact NH2-OD1 3.03Å; R27-D29 IonicContact NH2-OD2 3.98Å | ||
| 28 | L | 46.4 | Very low | 47.3 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -126.5 | 112.4 | 144.9 | -133.1 | 86 | 0 | 0 | 0 | 106.8 | ||||
| 29 | D | 43.1 | Very low | 46.3 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 57% | 0.572 | 78% | 0.778 | S | S | * | * | trans | -141.7 | 130.5 | 177.3 | -171.5 | -122.2 | 0 | 0 | 0 | 105.1 | R27 | R27-D29 IonicContact CZ-OD1 3.73Å; R27-D29 IonicContact NH2-OD1 2.68Å; R27-D29 PolarHBondContact NH2-OD1 3.03Å; R27-D29 IonicContact NH2-OD2 3.98Å | ||
| 30 | D | 40.5 | Very low | 45.8 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -65 | 145.1 | -168.7 | -86.1 | -76 | 0 | 0 | 0 | 113.2 | ||||
| 31 | T | 34.5 | Very low | 45.5 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -98.3 | 164.7 | -173.9 | -72 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 32 | P | 45.4 | Very low | 45.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -131.9 | -148.2 | 1.5 | 27.9 | -1 | 0 | 0 | 0 | 112.4 | ||||
| 33 | P | 46 | Very low | 44.7 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | -124.2 | 135.9 | -63.5 | 32.3 | -16.7 | 0 | 0 | 0 | 113 | |||||
| 34 | A | 33.8 | Very low | 44.6 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -150 | 141 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 35 | A | 46 | Very low | 44.5 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -68.3 | 150.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 36 | V | 41.7 | Very low | 44.2 | Very low | 136 Ų | 136 | 136 Ų | 136 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | -174.3 | 131.9 | 126.9 | 154.3 | 0 | 0 | 0 | 0 | 108.9 | P38 | V36-P38 VanDerWaalsContact CG1-CD 3.49Š| |||
| 37 | R | 49.6 | Very low | 43.9 | Very low | 211 Ų | 211 | 136.2 Ų | 136.2 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -115.5 | 114.3 | 162.5 | 172.7 | -168.4 | 173 | 161.7 | 4.1 | 104.8 | D39 | R37-D39 IonicContact CZ-OD2 2.74Å; R37-D39 VanDerWaalsContact CZ-OD2 3.25Å; R37-D39 IonicContact NE-OD2 3.31Å; R37-D39 PolarHBondContact NE-OD2 3.03Å; R37-D39 IonicContact NH2-OD1 2.78Å; R37-D39 IonicContact NH2-OD2 3.92Å; R37-D39 PolarHBondContact NH2-OD2 3.49Å | ||
| 38 | P | 45.6 | Very low | 44 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | -146.7 | 163.1 | 102.2 | 39.1 | -25.1 | 0 | 0 | 0 | 113.8 | V36 | V36-P38 VanDerWaalsContact CG1-CD 3.49Š| |||
| 39 | D | 38.6 | Very low | 43.7 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 52% | 0.519 | 77% | 0.767 | S | S | . | * | cis | -162.3 | -165.6 | -32.7 | -155.5 | -90.5 | 0 | 0 | 0 | 106.6 | R37 | R37-D39 IonicContact CZ-OD2 2.74Å; R37-D39 VanDerWaalsContact CZ-OD2 3.25Å; R37-D39 IonicContact NE-OD2 3.31Å; R37-D39 PolarHBondContact NE-OD2 3.03Å; R37-D39 IonicContact NH2-OD1 2.78Å; R37-D39 IonicContact NH2-OD2 3.92Å; R37-D39 PolarHBondContact NH2-OD2 3.49Å | ||
| 40 | A | 46.5 | Very low | 43.3 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -134.5 | 15.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 41 | A | 48.1 | Very low | 43.5 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | -86.8 | -13.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L43 | A41-L43 PolarHBondContact O-N 3.2Š| ||
| 42 | Y | 45.5 | Very low | 43.8 | Very low | 219 Ų | 219 | 133.5 Ų | 133.5 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -9.1 | -167.7 | -162.2 | -102.6 | 0 | 0 | 0 | 115.4 | ||
| 43 | L | 44 | Very low | 43.3 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 4.2 | -171.3 | -111.6 | 171.3 | 0 | 0 | 0 | 115.4 | A41 | A41-L43 PolarHBondContact O-N 3.2Š|
| 44 | A | 45 | Very low | 43.2 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -95.1 | -6.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 45 | D | 43.8 | Very low | 43.4 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -93.5 | -19.6 | -165.9 | -152.3 | -104.4 | 0 | 0 | 0 | 114.7 | D47 | D45-D47 PolarHBondContact O-N 2.88Š|
| 46 | I | 52 | Low | 43 | Very low | 150 Ų | 150 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -16.1 | -168.7 | -64.6 | -178.3 | 0 | 0 | 0 | 113.7 | R48 | I46-R48 PolarHBondContact O-N 3.47Š|
| 47 | D | 40.2 | Very low | 42.3 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 20.6 | -170.2 | -153.2 | -121.1 | 0 | 0 | 0 | 115.2 | D45 | D45-D47 PolarHBondContact O-N 2.88Š|
| 48 | R | 48.4 | Very low | 41.4 | Very low | 243 Ų | 243 | 132.9 Ų | 132.9 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -129.9 | 35.4 | -171.5 | -151.6 | 177.8 | 169.5 | 85.7 | 0.8 | 116 | I46 | I46-R48 PolarHBondContact O-N 3.47Š| ||
| 49 | G | 38.8 | Very low | 40.6 | Very low | 61 Ų | 61 | 131.4 Ų | 131.4 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | trans | -143.8 | 76.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 50 | H | 34.8 | Very low | 40.3 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 93% | 0.931 | 79% | 0.789 | S | S | * | * | trans | -172.6 | 123.9 | 134.2 | -104.3 | 74.9 | 0 | 0 | 0 | 110.9 | ||||
| 51 | A | 44.6 | Very low | 39.7 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -103 | 165.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 52 | P | 40.8 | Very low | 39.6 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -144.3 | 155.9 | 73.6 | 35.9 | -16.9 | 0 | 0 | 0 | 116.7 | |||||
| 53 | S | 35.5 | Very low | 39.1 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -87.2 | -179.6 | 158.7 | -43.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 54 | P | 44.4 | Very low | 38.5 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -141.4 | 171.8 | 9.5 | 37.6 | -16.4 | 0 | 0 | 0 | 117.2 | ||||
| 55 | L | 37.2 | Very low | 38.2 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 169 | 147.5 | 119.5 | -89.1 | 163.5 | 0 | 0 | 0 | 114.5 | |||||
| 56 | Q | 37.1 | Very low | 38.2 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -8.4 | 129.3 | 165.8 | -67.8 | 138.6 | 20.7 | 0 | 0 | 118.5 | ||||
| 57 | D | 28.2 | Very low | 37.7 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | 74.5 | 126 | 62.1 | -169.5 | 53.9 | 0 | 0 | 0 | 115.1 | |||||
| 58 | G | 31 | Very low | 38 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 131.5 | 110.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 59 | G | 28.1 | Very low | 38 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | trans | 102.8 | 79.2 | 131 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 60 | L | 31.7 | Very low | 38.6 | Very low | 158 Ų | 158 | 138 Ų | 138 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | 37.4 | 108.9 | 129.7 | -61.4 | 170.8 | 0 | 0 | 0 | 123.7 | |||||
| 61 | L | 33.8 | Very low | 39.6 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 65.6 | -179.6 | 135.5 | -47.1 | -172.5 | 0 | 0 | 0 | 119.1 | ||||
| 62 | P | 46.1 | Very low | 40.1 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -129.7 | -158 | -97.6 | 40.2 | -19.4 | 0 | 0 | 0 | 113.2 | |||||
| 63 | V | 34.9 | Very low | 40.3 | Very low | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 114.4 | 122.9 | 160.9 | 180 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 64 | D | 31.8 | Very low | 41.2 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | 40.1 | 121.4 | 156.7 | -93.7 | -147.1 | 0 | 0 | 0 | 124.5 | ||||
| 65 | S | 38.6 | Very low | 41.6 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 58% | 0.58 | 79% | 0.79 | S | S | * | * | 47.2 | 132.8 | 108.7 | -137.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 66 | E | 45 | Very low | 42.1 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 53.2 | 91.6 | 143.1 | 75.3 | -155.5 | 104.8 | 0 | 0 | 121.3 | ||||
| 67 | E | 41.7 | Very low | 42.9 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -134.7 | 106.2 | 132 | 52.5 | -170.3 | 113.6 | 0 | 0 | 112.8 | ||||
| 68 | D | 45.9 | Very low | 44.2 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -56.1 | 147.7 | 155.5 | -175.3 | -91.4 | 0 | 0 | 0 | 109.6 | ||||
| 69 | R | 49.2 | Very low | 45.3 | Very low | 202 Ų | 202 | 142.2 Ų | 142.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 107 | 118.9 | -169.4 | -60.7 | 148.8 | 87.7 | 83.8 | 6.3 | 110.8 | ||||
| 70 | L | 49.9 | Very low | 46.4 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | cis | -138 | 108.1 | 41.4 | -71.1 | 163.3 | 0 | 0 | 0 | 112.3 | M72 | L70-M72 PolarHBondContact O-N 3.48Š| ||
| 71 | L | 55.5 | Low | 47.2 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -70.3 | 89.2 | 162.5 | -70.4 | 166.1 | 0 | 0 | 0 | 110 | ||||
| 72 | M | 56.6 | Low | 48 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | 163.8 | 98.1 | 144.8 | -94.6 | -178.2 | -78.7 | 0 | 0 | 110.9 | L70 | L70-M72 PolarHBondContact O-N 3.48Š| ||
| 73 | E | 45 | Very low | 48.1 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -141.4 | 78 | 149.8 | -165.4 | 75.8 | -162.3 | 0 | 0 | 107.1 | G75 | E73-G75 PolarHBondContact O-N 2.68Š| ||
| 74 | A | 54 | Low | 48.9 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | -83.7 | 98.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 75 | G | 52.1 | Low | 49.7 | Very low | 64 Ų | 64 | 134.6 Ų | 134.6 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | trans | -164.6 | 129.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E73 | E73-G75 PolarHBondContact O-N 2.68Š| ||
| 76 | S | 48.7 | Very low | 50.2 | Low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 68.1 | 74.8 | 169.7 | -167.4 | 0 | 0 | 0 | 0 | 117.5 | N78 | S76-N78 PolarHBondContact O-N 2.75Š| ||
| 77 | N | 54.4 | Low | 50.4 | Low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | trans | -74.6 | 106.6 | 162.2 | -170.3 | -17.8 | 0 | 0 | 0 | 110.1 | ||||
| 78 | N | 54.7 | Low | 50.6 | Low | 128 Ų | 128 | 128.4 Ų | 128.4 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | trans | -148.7 | 31.9 | -175.4 | -172.6 | 58.3 | 0 | 0 | 0 | 115.3 | S76 | S76-N78 PolarHBondContact O-N 2.75Š| ||
| 79 | E | 54 | Low | 50.9 | Low | 179 Ų | 179 | 132.5 Ų | 132.5 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | trans | -131.9 | 35.6 | -176.4 | -66.4 | -157.5 | 127.8 | 0 | 0 | 116.9 | ||||
| 80 | D | 50.4 | Low | 51 | Low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | trans | -106.2 | 29.2 | 169.7 | -80.3 | -49.2 | 0 | 0 | 0 | 114.4 | S82 | D80-S82 PolarHBondContact O-N 3.34Š| ||
| 81 | S | 49.8 | Very low | 50.9 | Low | 84 Ų | 84 | 124.5 Ų | 124.5 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | trans | -76.4 | -4.1 | 172.6 | -72.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 82 | S | 49.9 | Very low | 51.3 | Low | 77 Ų | 77 | 125.6 Ų | 125.6 | 54% | 0.538 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -72.2 | -37.3 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | D80 L84 Q85 | D80-S82 PolarHBondContact O-N 3.34Å; S82-L84 VanDerWaalsContact C-N 3.31Å; S82-L84 PolarHBondContact O-N 2.04Å; S82-Q85 PolarHBondContact O-N 3.25Å |
| 83 | A | 48.7 | Very low | 51.1 | Low | 62 Ų | 62 | 122 Ų | 122 | 51% | 0.512 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -67.1 | -28.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 84 | L | 50.1 | Low | 52 | Low | 120 Ų | 120 | 118.2 Ų | 118.2 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -75.5 | -26.4 | 177.2 | -118.2 | 166.5 | 0 | 0 | 0 | 112.6 | S82 L86 Q87 G88 | S82-L84 VanDerWaalsContact C-N 3.31Å; S82-L84 PolarHBondContact O-N 2.04Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 2.93Å; L84-Q87 PolarHBondContact O-N 3.45Å; L84-Q87 VanDerWaalsContact O-N 3.16Å; L84-G88 PolarHBondContact O-N 2.96Å |
| 85 | Q | 50.1 | Low | 52.7 | Low | 152 Ų | 152 | 118 Ų | 118 | 71% | 0.71 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.2 | -25.3 | -175.3 | -130.3 | 169.7 | 99.1 | 0 | 0 | 113.3 | S82 | S82-Q85 PolarHBondContact O-N 3.25Å |
| 86 | L | 49 | Very low | 54.1 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 69% | 0.686 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.3 | -31.4 | 171.3 | -85.6 | 148.8 | 0 | 0 | 0 | 112.9 | L84 G88 | L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 2.93Å; L86-G88 VanDerWaalsContact C-N 3.33Å |
| 87 | Q | 48.6 | Very low | 55.9 | Low | 133 Ų | 133 | 122.1 Ų | 122.1 | 62% | 0.621 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72 | -29.3 | 172.9 | -66.2 | -179.1 | 41.5 | 0 | 0 | 111.7 | L84 R89 A90 V91 | L84-Q87 PolarHBondContact O-N 3.45Å; L84-Q87 VanDerWaalsContact O-N 3.16Å; Q87-R89 PolarHBondContact O-N 2.89Å; Q87-R89 VanDerWaalsContact O-N 3.15Å; Q87-A90 PolarHBondContact O-N 3.43Å; Q87-V91 PolarHBondContact O-N 3.37Å |
| 88 | G | 45.1 | Very low | 57.6 | Low | 44 Ų | 44 | 115.9 Ų | 115.9 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.7 | -25 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L84 L86 A90 V91 | L84-G88 PolarHBondContact O-N 2.96Å; L86-G88 VanDerWaalsContact C-N 3.33Å; G88-A90 VanDerWaalsContact C-N 3.32Å; G88-A90 PolarHBondContact O-N 3.21Å; G88-V91 PolarHBondContact O-N 2.79Å |
| 89 | R | 53.9 | Low | 59.2 | Low | 220 Ų | 220 | 110.9 Ų | 110.9 | 83% | 0.83 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -14.7 | 176.1 | -73.8 | -177.3 | 173.6 | 143.8 | -0.2 | 114.2 | Q87 | Q87-R89 PolarHBondContact O-N 2.89Å; Q87-R89 VanDerWaalsContact O-N 3.15Å |
| 90 | A | 51 | Low | 60.9 | Low | 88 Ų | 88 | 105 Ų | 105 | 73% | 0.727 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -17.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q87 G88 R92 | Q87-A90 PolarHBondContact O-N 3.43Å; G88-A90 VanDerWaalsContact C-N 3.32Å; G88-A90 PolarHBondContact O-N 3.21Å; A90-R92 PolarHBondContact O-N 3.03Å |
| 91 | V | 47.7 | Very low | 62.8 | Low | 110 Ų | 110 | 104.7 Ų | 104.7 | 67% | 0.667 | 55% | 0.554 | S | S | * | * | trans | -77.2 | 67.8 | 170 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | Q87 G88 S93 | Q87-V91 PolarHBondContact O-N 3.37Å; G88-V91 PolarHBondContact O-N 2.79Å; V91-S93 PolarHBondContact O-N 3.15Å | ||
| 92 | R | 62.8 | Low | 64.7 | Low | 177 Ų | 177 | 104.8 Ų | 104.8 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | trans | -58.1 | 124.8 | 159.3 | -74.3 | -167.5 | -179.6 | -145.8 | 2.2 | 106.8 | A90 | A90-R92 PolarHBondContact O-N 3.03Š| ||
| 93 | S | 53.1 | Low | 66.7 | Low | 97 Ų | 97 | 106.8 Ų | 106.8 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | trans | -31.1 | 132.2 | 173.4 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | V91 R95 | V91-S93 PolarHBondContact O-N 3.15Å; S93-R95 WeakPolarHBondContact O-CA 3.05Å; S93-R95 PolarHBondContact O-N 3.18Å | ||
| 94 | P | 63.4 | Low | 68.6 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | trans | -44.2 | 100.4 | -173.1 | -29.9 | 34.5 | 0 | 0 | 0 | 110.5 | R96 | P94-R96 PolarHBondContact O-N 3.16Š| ||
| 95 | R | 69 | Low | 70.1 | Confident | 104 Ų | 104 | 104.9 Ų | 104.9 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | trans | -64.1 | 111.4 | -164.4 | -73.3 | -164.2 | -171.9 | -133.6 | 15.9 | 106.4 | S93 C97 P99 L109 | S93-R95 WeakPolarHBondContact O-CA 3.05Å; S93-R95 PolarHBondContact O-N 3.18Å; R95-C97 WeakPolarHBondContact CB-O 3.3Å; R95-C97 PolarHBondContact O-N 3.38Å; R95-P99 VanDerWaalsContact NH1-CG 3.26Å; R95-L109 WeakPolarHBondContact O-CD2 3.16Å | ||
| 96 | R | 81.1 | Confident | 71 | Confident | 227 Ų | 227 | 100.4 Ų | 100.4 | 86% | 0.857 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -64.3 | -4.8 | -176 | -64.2 | -172.4 | 179.3 | -161.9 | 0.5 | 114.3 | P94 | P94-R96 PolarHBondContact O-N 3.16Š|
| 97 | C | 88.3 | Confident | 71.7 | Confident | 37 Ų | 37 | 103.3 Ų | 103.3 | 25% | 0.25 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -150.8 | 158.5 | 177.5 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | R95 P110 C112 | R95-C97 WeakPolarHBondContact CB-O 3.3Å; R95-C97 PolarHBondContact O-N 3.38Å; C97-P110 CarbonylContact C-O 3.59Å; C97-P110 WeakPolarHBondContact CA-O 3.48Å; C97-P110 WeakPolarHBondContact CB-O 3.36Å; C97-C112 HydrophobicContact CB-CB 3.83Å; C97-C112 WeakPolarHBondContact CB-SG 2.78Å; C97-C112 PolarHBondContact O-SG 3.07Å; C97-C112 VanDerWaalsContact O-SG 3.36Å; C97-C112 WeakPolarHBondContact SG-CA 3.42Å; C97-C112 WeakPolarHBondContact SG-CB 3.27Å; C97-C112 CovalentContact SG-SG 2.04Å; C97-C112 PolarHBondContact SG-SG 3.25Å |
| 98 | I | 89.5 | Confident | 73 | Confident | 23 Ų | 23 | 101.6 Ų | 101.6 | 12% | 0.118 | 53% | 0.527 | C | S | . | . | B | Isolated β-bridge | trans | -92.8 | 123.1 | 177.6 | -61.5 | 137.7 | 0 | 0 | 0 | 109.2 | Q102 C104 L109 P110 C111 C112 C129 | I98-Q102 HydrophobicContact CG2-CB 3.87Å; I98-C104 HydrophobicContact CD1-CB 3.8Å; I98-C104 HydrophobicContact CG2-CB 4.5Å; I98-L109 HydrophobicContact CD1-CB 3.94Å; I98-L109 VanDerWaalsContact CD1-O 3.27Å; I98-L109 WeakPolarHBondContact CD1-O 3.38Å; I98-L109 HydrophobicContact CG1-CB 4.28Å; I98-P110 PolarHBondContact N-O 3.32Å; I98-C111 CarbonylContact O-C 3.47Å; I98-C111 VanDerWaalsContact O-CA 3.3Å; I98-C111 WeakPolarHBondContact O-CA 3.29Å; I98-C112 VanDerWaalsContact C-SG 3.54Å; I98-C112 PolarHBondContact O-N 3.03Å; I98-C129 HydrophobicContact CG2-CB 4.48Å; I98-C129 VanDerWaalsContact CG2-SG 3.59Å |
| 99 | P | 88.3 | Confident | 75 | Confident | 23 Ų | 23 | 102.7 Ų | 102.7 | 15% | 0.149 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 159.1 | 176 | -21.7 | 32.6 | 0 | 0 | 0 | 113.4 | R95 Q101 Q102 | R95-P99 VanDerWaalsContact NH1-CG 3.26Å; P99-Q101 PolarHBondContact O-N 3.26Å; P99-Q102 HydrophobicContact CB-CB 4.48Å; P99-Q102 HydrophobicContact CB-CG 3.98Å; P99-Q102 VanDerWaalsContact CD-OE1 3.25Å; P99-Q102 HydrophobicContact CG-CG 4.26Å; P99-Q102 WeakPolarHBondContact O-CB 3.05Å; P99-Q102 PolarHBondContact O-N 3.39Å |
| 100 | H | 89.4 | Confident | 76.6 | Confident | 57 Ų | 57 | 96.4 Ų | 96.4 | 26% | 0.264 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | 137.7 | 169.4 | -177.4 | 67.9 | 0 | 0 | 0 | 112.3 | Q102 D116 P131 | H100-Q102 PolarHBondContact O-N 3.18Å; H100-D116 WeakPolarHBondContact CA-OD2 3.44Å; H100-D116 IonicContact CE1-OD2 3.9Å; H100-D116 IonicContact CG-OD2 3.51Å; H100-D116 IonicContact ND1-OD1 3.59Å; H100-D116 IonicContact ND1-OD2 2.77Å; H100-D116 PolarHBondContact ND1-OD2 3.09Å; H100-P131 WeakPolarHBondContact CE1-CD 3.5Å |
| 101 | Q | 89.7 | Confident | 78.5 | Confident | 119 Ų | 119 | 93.1 Ų | 93.1 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 3.7 | -175.2 | -73.6 | 174 | 56.4 | 0 | 0 | 116.7 | P99 C129 | P99-Q101 PolarHBondContact O-N 3.26Å; Q101-C129 WeakPolarHBondContact CA-O 3.17Å; Q101-C129 PolarHBondContact N-O 3.18Å |
| 102 | Q | 91.1 | Very high | 80.5 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -86.7 | 155.7 | 171.4 | -61.2 | -164.6 | -1.8 | 0 | 0 | 111.8 | I98 P99 H100 C104 Y128 C129 | I98-Q102 HydrophobicContact CG2-CB 3.87Å; P99-Q102 HydrophobicContact CB-CB 4.48Å; P99-Q102 HydrophobicContact CB-CG 3.98Å; P99-Q102 VanDerWaalsContact CD-OE1 3.25Å; P99-Q102 HydrophobicContact CG-CG 4.26Å; P99-Q102 WeakPolarHBondContact O-CB 3.05Å; P99-Q102 PolarHBondContact O-N 3.39Å; H100-Q102 PolarHBondContact O-N 3.18Å; Q102-C104 PolarHBondContact O-N 3.29Å; Q102-Y128 VanDerWaalsContact O-CA 3.25Å; Q102-Y128 WeakPolarHBondContact O-CA 3.04Å; Q102-Y128 WeakPolarHBondContact O-CB 3.41Å; Q102-C129 PolarHBondContact O-N 3.5Å; Q102-C129 VanDerWaalsContact O-N 3.13Å |
| 103 | F | 90.4 | Very high | 81.7 | Confident | 119 Ų | 119 | 84 Ų | 84 | 52% | 0.522 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -65.7 | 126.7 | -177.1 | -88.5 | -98.1 | 0 | 0 | 0 | 111.9 | L105 I126 C127 | F103-L105 HydrophobicContact CB-CD1 4.2Å; F103-L105 HydrophobicContact CB-CG 4.27Å; F103-L105 HydrophobicContact CD1-CD1 4.42Å; F103-L105 HydrophobicContact CD1-CG 4.34Å; F103-L105 PolarHBondContact O-N 3.34Å; F103-I126 HydrophobicContact CE1-CB 4.39Å; F103-I126 HydrophobicContact CE1-CG2 3.82Å; F103-I126 HydrophobicContact CZ-CG2 3.92Å; F103-C127 CarbonylContact C-O 3.54Å; F103-C127 VanDerWaalsContact CA-O 3.26Å; F103-C127 WeakPolarHBondContact CA-O 3.22Å; F103-C127 WeakPolarHBondContact CD1-O 3.39Å |
| 104 | C | 90.1 | Very high | 83.3 | Confident | 7 Ų | 7 | 85.8 Ų | 85.8 | 5% | 0.047 | 46% | 0.455 | C | S | . | . | trans | -99 | 67.6 | 173.4 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | I98 Q102 G106 C118 C127 Y128 | I98-C104 HydrophobicContact CD1-CB 3.8Å; I98-C104 HydrophobicContact CG2-CB 4.5Å; Q102-C104 PolarHBondContact O-N 3.29Å; C104-G106 PolarHBondContact O-N 3.43Å; C104-C118 HydrophobicContact CB-CB 3.77Å; C104-C118 WeakPolarHBondContact CB-SG 3.1Å; C104-C118 WeakPolarHBondContact SG-CA 3.25Å; C104-C118 WeakPolarHBondContact SG-CB 3.39Å; C104-C118 CovalentContact SG-SG 2.03Å; C104-C118 PolarHBondContact SG-SG 3.17Å; C104-C127 PolarHBondContact N-O 3.4Å; C104-Y128 VanDerWaalsContact SG-C 3.51Å; C104-Y128 VanDerWaalsContact SG-CA 3.5Å; C104-Y128 PolarHBondContact SG-N 3.36Å | ||
| 105 | L | 80.6 | Confident | 84.5 | Confident | 135 Ų | 135 | 82.3 Ų | 82.3 | 71% | 0.707 | 43% | 0.433 | S | S | * | . | trans | -77.8 | 109.1 | 177.2 | -72.1 | 160.1 | 0 | 0 | 0 | 110.3 | F103 | F103-L105 HydrophobicContact CB-CD1 4.2Å; F103-L105 HydrophobicContact CB-CG 4.27Å; F103-L105 HydrophobicContact CD1-CD1 4.42Å; F103-L105 HydrophobicContact CD1-CG 4.34Å; F103-L105 PolarHBondContact O-N 3.34Å | ||
| 106 | G | 68 | Low | 85.6 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 94.1 | 18.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | C104 S108 | C104-G106 PolarHBondContact O-N 3.43Å; G106-S108 PolarHBondContact O-N 3.08Å |
| 107 | Y | 64.6 | Low | 86.1 | Confident | 191 Ų | 191 | 71 Ų | 71 | 75% | 0.749 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 56.9 | -7.9 | 169.5 | -63.3 | -82.2 | 0 | 0 | 0 | 118.7 | L109 | Y107-L109 PolarHBondContact O-N 3.37Å; Y107-L109 VanDerWaalsContact O-N 3.12Å |
| 108 | S | 76.9 | Confident | 86.2 | Confident | 98 Ų | 98 | 71 Ų | 71 | 69% | 0.685 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -69.1 | -10 | -174.8 | 45.2 | 0 | 0 | 0 | 0 | 114.1 | G106 | G106-S108 PolarHBondContact O-N 3.08Š|
| 109 | L | 85.1 | Confident | 86.3 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -136.3 | 141.2 | 177.9 | -64.1 | 95.4 | 0 | 0 | 0 | 110.7 | R95 I98 Y107 | R95-L109 WeakPolarHBondContact O-CD2 3.16Å; I98-L109 HydrophobicContact CD1-CB 3.94Å; I98-L109 VanDerWaalsContact CD1-O 3.27Å; I98-L109 WeakPolarHBondContact CD1-O 3.38Å; I98-L109 HydrophobicContact CG1-CB 4.28Å; Y107-L109 PolarHBondContact O-N 3.37Å; Y107-L109 VanDerWaalsContact O-N 3.12Å |
| 110 | P | 89.1 | Confident | 86.5 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | trans | -77.3 | 165.8 | 173.1 | 33.3 | -35.7 | 0 | 0 | 0 | 111.7 | C97 I98 | C97-P110 CarbonylContact C-O 3.59Å; C97-P110 WeakPolarHBondContact CA-O 3.48Å; C97-P110 WeakPolarHBondContact CB-O 3.36Å; I98-P110 PolarHBondContact N-O 3.32Å | ||
| 111 | C | 89.7 | Confident | 86.6 | Confident | 20 Ų | 20 | 76.8 Ų | 76.8 | 14% | 0.135 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -66 | 149.5 | 165 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | I98 D116 C129 | I98-C111 CarbonylContact O-C 3.47Å; I98-C111 VanDerWaalsContact O-CA 3.3Å; I98-C111 WeakPolarHBondContact O-CA 3.29Å; C111-D116 HydrophobicContact CB-CB 3.65Å; C111-D116 WeakPolarHBondContact CB-O 3.5Å; C111-C129 VanDerWaalsContact CA-SG 3.54Å; C111-C129 HydrophobicContact CB-CB 3.87Å; C111-C129 WeakPolarHBondContact CB-SG 3.39Å; C111-C129 WeakPolarHBondContact SG-CB 3.28Å; C111-C129 CovalentContact SG-SG 2.04Å; C111-C129 PolarHBondContact SG-SG 3.32Å |
| 112 | C | 89.5 | Confident | 86.8 | Confident | 54 Ų | 54 | 78 Ų | 78 | 37% | 0.365 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -71.6 | -34.4 | -177.6 | -66.9 | 0 | 0 | 0 | 0 | 113.5 | C97 I98 | C97-C112 HydrophobicContact CB-CB 3.83Å; C97-C112 WeakPolarHBondContact CB-SG 2.78Å; C97-C112 PolarHBondContact O-SG 3.07Å; C97-C112 VanDerWaalsContact O-SG 3.36Å; C97-C112 WeakPolarHBondContact SG-CA 3.42Å; C97-C112 WeakPolarHBondContact SG-CB 3.27Å; C97-C112 CovalentContact SG-SG 2.04Å; C97-C112 PolarHBondContact SG-SG 3.25Å; I98-C112 VanDerWaalsContact C-SG 3.54Å; I98-C112 PolarHBondContact O-N 3.03Å |
| 113 | D | 88.8 | Confident | 86.8 | Confident | 40 Ų | 40 | 85.3 Ų | 85.3 | 21% | 0.214 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -92.3 | 129.3 | 175.6 | -70.1 | -67 | 0 | 0 | 0 | 108.5 | C115 D116 R139 | D113-C115 PolarHBondContact O-N 3.06Å; D113-C115 VanDerWaalsContact O-N 3.13Å; D113-D116 HydrophobicContact CB-CB 4.39Å; D113-D116 WeakPolarHBondContact O-CB 3.06Å; D113-D116 PolarHBondContact O-N 2.75Å; D113-R139 IonicContact OD1-CZ 3.69Å; D113-R139 IonicContact OD1-NH1 3.77Å; D113-R139 IonicContact OD1-NH2 2.86Å; D113-R139 PolarHBondContact OD1-NH2 3.43Å; D113-R139 IonicContact OD2-CZ 3.45Å; D113-R139 IonicContact OD2-NH1 2.84Å; D113-R139 PolarHBondContact OD2-NH1 2.85Å; D113-R139 IonicContact OD2-NH2 3.25Å; D113-R139 PolarHBondContact OD2-NH2 3.14Å |
| 114 | P | 86.9 | Confident | 86.7 | Confident | 135 Ų | 135 | 85.3 Ų | 85.3 | 88% | 0.877 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.6 | -178.2 | 28.9 | -36.4 | 0 | 0 | 0 | 113.4 | ||
| 115 | C | 89.3 | Confident | 86.6 | Confident | 40 Ų | 40 | 88.5 Ų | 88.5 | 27% | 0.27 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.2 | 171.1 | -78.8 | 0 | 0 | 0 | 0 | 113.6 | D113 P131 V132 C136 | D113-C115 PolarHBondContact O-N 3.06Å; D113-C115 VanDerWaalsContact O-N 3.13Å; C115-P131 WeakPolarHBondContact O-CA 3.03Å; C115-V132 PolarHBondContact O-N 3.24Å; C115-V132 VanDerWaalsContact O-N 3.07Å; C115-C136 HydrophobicContact CB-CB 3.59Å; C115-C136 WeakPolarHBondContact CB-SG 3.29Å; C115-C136 WeakPolarHBondContact SG-CB 3.46Å; C115-C136 CovalentContact SG-SG 2.03Å; C115-C136 PolarHBondContact SG-SG 3.18Å |
| 116 | D | 91.6 | Very high | 87.1 | Confident | 17 Ų | 17 | 85.1 Ų | 85.1 | 9% | 0.091 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.3 | -176 | -89.1 | 22.8 | 0 | 0 | 0 | 111.1 | H100 C111 D113 C129 R130 P131 | H100-D116 WeakPolarHBondContact CA-OD2 3.44Å; H100-D116 IonicContact CE1-OD2 3.9Å; H100-D116 IonicContact CG-OD2 3.51Å; H100-D116 IonicContact ND1-OD1 3.59Å; H100-D116 IonicContact ND1-OD2 2.77Å; H100-D116 PolarHBondContact ND1-OD2 3.09Å; C111-D116 HydrophobicContact CB-CB 3.65Å; C111-D116 WeakPolarHBondContact CB-O 3.5Å; D113-D116 HydrophobicContact CB-CB 4.39Å; D113-D116 WeakPolarHBondContact O-CB 3.06Å; D113-D116 PolarHBondContact O-N 2.75Å; D116-C129 HydrophobicContact CB-CB 4.21Å; D116-R130 CarbonylContact C-O 3.5Å; D116-R130 WeakPolarHBondContact CA-O 3.44Å; D116-R130 VanDerWaalsContact CG-C 3.49Å; D116-R130 VanDerWaalsContact OD1-C 3.29Å; D116-P131 VanDerWaalsContact OD1-CA 3.28Å; D116-P131 WeakPolarHBondContact OD1-CA 3.38Å; D116-P131 VanDerWaalsContact OD1-CD 3.29Å; D116-P131 WeakPolarHBondContact OD1-CD 3.49Å |
| 117 | T | 90.6 | Very high | 88.3 | Confident | 76 Ų | 76 | 83 Ų | 83 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.7 | 170.8 | -50.3 | 0 | 0 | 0 | 0 | 109.3 | Y119 R130 | T117-Y119 PolarHBondContact O-N 3.37Å; T117-R130 PolarHBondContact N-O 3.31Å; T117-R130 PolarHBondContact O-N 3.18Å; T117-R130 VanDerWaalsContact O-N 3.07Å |
| 118 | C | 91.6 | Very high | 89.6 | Confident | 37 Ų | 37 | 76 Ų | 76 | 25% | 0.25 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 117.8 | 171 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | C104 | C104-C118 HydrophobicContact CB-CB 3.77Å; C104-C118 WeakPolarHBondContact CB-SG 3.1Å; C104-C118 WeakPolarHBondContact SG-CA 3.25Å; C104-C118 WeakPolarHBondContact SG-CB 3.39Å; C104-C118 CovalentContact SG-SG 2.03Å; C104-C118 PolarHBondContact SG-SG 3.17Å |
| 119 | Y | 90.8 | Very high | 90.4 | Very high | 83 Ų | 83 | 71.3 Ų | 71.3 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.4 | -179.8 | 171.2 | -105.5 | 0 | 0 | 0 | 110.9 | T117 R121 C127 Y128 R130 | T117-Y119 PolarHBondContact O-N 3.37Å; Y119-R121 HydrophobicContact CD1-CG 4.19Å; Y119-R121 HydrophobicContact CE1-CG 3.46Å; Y119-R121 VanDerWaalsContact CE1-CG 3.46Å; Y119-C127 CarbonylContact O-C 3.58Å; Y119-C127 VanDerWaalsContact O-CA 3.29Å; Y119-C127 WeakPolarHBondContact O-CA 3.26Å; Y119-Y128 HydrophobicContact CD1-CE1 4.13Å; Y119-Y128 PolarHBondContact N-O 3.33Å; Y119-Y128 PolarHBondContact O-N 3.36Å; Y119-R130 HydrophobicContact CG-CG 4.46Å |
| 120 | C | 92.7 | Very high | 90.7 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.6 | -174.6 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | N124 I126 C127 | C120-N124 HydrophobicContact CB-CB 4.24Å; C120-N124 WeakPolarHBondContact CB-OD1 3.47Å; C120-I126 CarbonylContact C-O 3.55Å; C120-I126 WeakPolarHBondContact CA-O 3.36Å; C120-C127 HydrophobicContact CB-CB 4.16Å; C120-C127 WeakPolarHBondContact CB-SG 3.07Å; C120-C127 WeakPolarHBondContact SG-CB 3.13Å; C120-C127 CovalentContact SG-SG 2.04Å; C120-C127 PolarHBondContact SG-SG 3.22Å |
| 121 | R | 90.9 | Very high | 90.7 | Very high | 119 Ų | 119 | 69.9 Ų | 69.9 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 170 | 170.3 | -64.7 | -174.6 | -176.9 | -109.4 | -1.8 | 110.1 | Y119 Y123 N124 A125 I126 Y128 | Y119-R121 HydrophobicContact CD1-CG 4.19Å; Y119-R121 HydrophobicContact CE1-CG 3.46Å; Y119-R121 VanDerWaalsContact CE1-CG 3.46Å; R121-Y123 PolarHBondContact O-N 3Å; R121-N124 PolarHBondContact O-N 3.28Å; R121-A125 PolarHBondContact O-N 3.46Å; R121-I126 PolarHBondContact N-O 3.1Å; R121-I126 PolarHBondContact O-N 3.25Å; R121-Y128 HydrophobicContact CG-CE1 4.29Å; R121-Y128 PolarHBondContact NE-OH 3.48Å; R121-Y128 PolarHBondContact NH2-OH 3.08Å |
| 122 | F | 94.2 | Very high | 90.5 | Very high | 145 Ų | 145 | 72.5 Ų | 72.5 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 55.5 | 173.6 | -54.4 | -77.6 | 0 | 0 | 0 | 112.9 | N124 A125 I126 | F122-N124 VanDerWaalsContact C-N 3.29Å; F122-N124 PolarHBondContact O-N 2.91Å; F122-A125 HydrophobicContact CB-CB 4.25Å; F122-A125 WeakPolarHBondContact O-CB 3.29Å; F122-A125 PolarHBondContact O-N 3.07Å; F122-A125 VanDerWaalsContact O-N 3.08Å; F122-I126 HydrophobicContact CD2-CB 4.32Å; F122-I126 HydrophobicContact CD2-CD1 3.86Å; F122-I126 HydrophobicContact CD2-CG1 4.27Å; F122-I126 HydrophobicContact CE2-CD1 4.12Å |
| 123 | Y | 91.9 | Very high | 89.9 | Confident | 238 Ų | 238 | 71.8 Ų | 71.8 | 93% | 0.933 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 40.5 | -179.7 | -51.5 | -84.2 | 0 | 0 | 0 | 114 | R121 A125 | R121-Y123 PolarHBondContact O-N 3Å; Y123-A125 VanDerWaalsContact C-N 3.29Å; Y123-A125 PolarHBondContact O-N 3.41Å |
| 124 | N | 87.1 | Confident | 89.1 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 15.1 | -177.3 | -47.6 | -39.9 | 0 | 0 | 0 | 116 | C120 R121 F122 | C120-N124 HydrophobicContact CB-CB 4.24Å; C120-N124 WeakPolarHBondContact CB-OD1 3.47Å; R121-N124 PolarHBondContact O-N 3.28Å; F122-N124 VanDerWaalsContact C-N 3.29Å; F122-N124 PolarHBondContact O-N 2.91Å |
| 125 | A | 89.5 | Confident | 88.4 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -28.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R121 F122 Y123 | R121-A125 PolarHBondContact O-N 3.46Å; F122-A125 HydrophobicContact CB-CB 4.25Å; F122-A125 WeakPolarHBondContact O-CB 3.29Å; F122-A125 PolarHBondContact O-N 3.07Å; F122-A125 VanDerWaalsContact O-N 3.08Å; Y123-A125 VanDerWaalsContact C-N 3.29Å; Y123-A125 PolarHBondContact O-N 3.41Å |
| 126 | I | 91.2 | Very high | 87.8 | Confident | 64 Ų | 64 | 78.3 Ų | 78.3 | 33% | 0.328 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 109.7 | -179 | -61.2 | -177.2 | 0 | 0 | 0 | 109 | F103 C120 R121 F122 Y128 | F103-I126 HydrophobicContact CE1-CB 4.39Å; F103-I126 HydrophobicContact CE1-CG2 3.82Å; F103-I126 HydrophobicContact CZ-CG2 3.92Å; C120-I126 CarbonylContact C-O 3.55Å; C120-I126 WeakPolarHBondContact CA-O 3.36Å; R121-I126 PolarHBondContact N-O 3.1Å; R121-I126 PolarHBondContact O-N 3.25Å; F122-I126 HydrophobicContact CD2-CB 4.32Å; F122-I126 HydrophobicContact CD2-CD1 3.86Å; F122-I126 HydrophobicContact CD2-CG1 4.27Å; F122-I126 HydrophobicContact CE2-CD1 4.12Å; I126-Y128 HydrophobicContact CG2-CD1 4.35Å |
| 127 | C | 93.1 | Very high | 87 | Confident | 15 Ų | 15 | 83.2 Ų | 83.2 | 10% | 0.101 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.2 | -179.1 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | F103 C104 Y119 C120 | F103-C127 CarbonylContact C-O 3.54Å; F103-C127 VanDerWaalsContact CA-O 3.26Å; F103-C127 WeakPolarHBondContact CA-O 3.22Å; F103-C127 WeakPolarHBondContact CD1-O 3.39Å; C104-C127 PolarHBondContact N-O 3.4Å; Y119-C127 CarbonylContact O-C 3.58Å; Y119-C127 VanDerWaalsContact O-CA 3.29Å; Y119-C127 WeakPolarHBondContact O-CA 3.26Å; C120-C127 HydrophobicContact CB-CB 4.16Å; C120-C127 WeakPolarHBondContact CB-SG 3.07Å; C120-C127 WeakPolarHBondContact SG-CB 3.13Å; C120-C127 CovalentContact SG-SG 2.04Å; C120-C127 PolarHBondContact SG-SG 3.22Å |
| 128 | Y | 91.8 | Very high | 86 | Confident | 43 Ų | 43 | 86.2 Ų | 86.2 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.7 | -178 | 62.1 | -83.5 | 0 | 0 | 0 | 112.6 | Q102 C104 Y119 R121 I126 R130 | Q102-Y128 VanDerWaalsContact O-CA 3.25Å; Q102-Y128 WeakPolarHBondContact O-CA 3.04Å; Q102-Y128 WeakPolarHBondContact O-CB 3.41Å; C104-Y128 VanDerWaalsContact SG-C 3.51Å; C104-Y128 VanDerWaalsContact SG-CA 3.5Å; C104-Y128 PolarHBondContact SG-N 3.36Å; Y119-Y128 HydrophobicContact CD1-CE1 4.13Å; Y119-Y128 PolarHBondContact N-O 3.33Å; Y119-Y128 PolarHBondContact O-N 3.36Å; R121-Y128 HydrophobicContact CG-CE1 4.29Å; R121-Y128 PolarHBondContact NE-OH 3.48Å; R121-Y128 PolarHBondContact NH2-OH 3.08Å; I126-Y128 HydrophobicContact CG2-CD1 4.35Å; Y128-R130 HydrophobicContact CD2-CB 4.26Å; Y128-R130 HydrophobicContact CE2-CB 3.96Å |
| 129 | C | 92.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 91.8 Ų | 91.8 | 0% | 0 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 127.4 | 175.5 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | I98 Q101 Q102 C111 D116 | I98-C129 HydrophobicContact CG2-CB 4.48Å; I98-C129 VanDerWaalsContact CG2-SG 3.59Å; Q101-C129 WeakPolarHBondContact CA-O 3.17Å; Q101-C129 PolarHBondContact N-O 3.18Å; Q102-C129 PolarHBondContact O-N 3.5Å; Q102-C129 VanDerWaalsContact O-N 3.13Å; C111-C129 VanDerWaalsContact CA-SG 3.54Å; C111-C129 HydrophobicContact CB-CB 3.87Å; C111-C129 WeakPolarHBondContact CB-SG 3.39Å; C111-C129 WeakPolarHBondContact SG-CB 3.28Å; C111-C129 CovalentContact SG-SG 2.04Å; C111-C129 PolarHBondContact SG-SG 3.32Å; D116-C129 HydrophobicContact CB-CB 4.21Å |
| 130 | R | 91.4 | Very high | 83.5 | Confident | 83 Ų | 83 | 93.7 Ų | 93.7 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 152.7 | 174.8 | 87.2 | -176.4 | -143.3 | -65.3 | 5.3 | 111.9 | D116 T117 Y119 Y128 | D116-R130 CarbonylContact C-O 3.5Å; D116-R130 WeakPolarHBondContact CA-O 3.44Å; D116-R130 VanDerWaalsContact CG-C 3.49Å; D116-R130 VanDerWaalsContact OD1-C 3.29Å; T117-R130 PolarHBondContact N-O 3.31Å; T117-R130 PolarHBondContact O-N 3.18Å; T117-R130 VanDerWaalsContact O-N 3.07Å; Y119-R130 HydrophobicContact CG-CG 4.46Å; Y128-R130 HydrophobicContact CD2-CB 4.26Å; Y128-R130 HydrophobicContact CE2-CB 3.96Å |
| 131 | P | 90.1 | Very high | 81.8 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 27% | 0.266 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 138.5 | 179.5 | 25.3 | -35 | 0 | 0 | 0 | 110.8 | H100 C115 D116 | H100-P131 WeakPolarHBondContact CE1-CD 3.5Å; C115-P131 WeakPolarHBondContact O-CA 3.03Å; D116-P131 VanDerWaalsContact OD1-CA 3.28Å; D116-P131 WeakPolarHBondContact OD1-CA 3.38Å; D116-P131 VanDerWaalsContact OD1-CD 3.29Å; D116-P131 WeakPolarHBondContact OD1-CD 3.49Å |
| 132 | V | 85.3 | Confident | 81.4 | Confident | 75 Ų | 75 | 100.6 Ų | 100.6 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | trans | -124.6 | 102.5 | 177.3 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | C115 | C115-V132 PolarHBondContact O-N 3.24Å; C115-V132 VanDerWaalsContact O-N 3.07Å | ||
| 133 | G | 76.1 | Confident | 80.7 | Confident | 40 Ų | 40 | 98.3 Ų | 98.3 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | S | Bend | trans | 127.4 | 161.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 134 | H | 72 | Confident | 80.1 | Confident | 194 Ų | 194 | 90.5 Ų | 90.5 | 90% | 0.898 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -90.3 | -6.1 | 178.4 | -60.8 | -74.9 | 0 | 0 | 0 | 113.4 | ||
| 135 | T | 73.6 | Confident | 79.7 | Confident | 136 Ų | 136 | 88.8 Ų | 88.8 | 83% | 0.834 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -86.4 | -8.7 | -177.2 | 48.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 136 | C | 76.5 | Confident | 79.1 | Confident | 21 Ų | 21 | 89.8 Ų | 89.8 | 14% | 0.142 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -97.5 | 136.7 | 179.8 | -71.6 | 0 | 0 | 0 | 0 | 110.9 | C115 Q138 | C115-C136 HydrophobicContact CB-CB 3.59Å; C115-C136 WeakPolarHBondContact CB-SG 3.29Å; C115-C136 WeakPolarHBondContact SG-CB 3.46Å; C115-C136 CovalentContact SG-SG 2.03Å; C115-C136 PolarHBondContact SG-SG 3.18Å; C136-Q138 PolarHBondContact O-N 3.1Å |
| 137 | P | 73.8 | Confident | 78.3 | Confident | 120 Ų | 120 | 91.5 Ų | 91.5 | 78% | 0.779 | 50% | 0.503 | S | S | * | . | trans | -63.9 | 129.8 | 178.8 | 26.8 | -33.6 | 0 | 0 | 0 | 110.1 | R139 | P137-R139 PolarHBondContact O-N 3.22Å; P137-R139 VanDerWaalsContact O-N 3.12Å | ||
| 138 | Q | 69.3 | Low | 77.2 | Confident | 140 Ų | 140 | 96.9 Ų | 96.9 | 65% | 0.654 | 53% | 0.532 | S | S | * | . | trans | -66.2 | 111.5 | 172.7 | -60.2 | -61.7 | -40.1 | 0 | 0 | 108.1 | C136 | C136-Q138 PolarHBondContact O-N 3.1Š| ||
| 139 | R | 68.3 | Low | 76.1 | Confident | 154 Ų | 154 | 101.1 Ų | 101.1 | 58% | 0.581 | 56% | 0.56 | S | S | * | * | trans | -70.1 | 129.7 | 177.3 | -173.3 | 176.4 | -79.2 | 157.3 | 4.3 | 108.5 | D113 P137 T141 | D113-R139 IonicContact OD1-CZ 3.69Å; D113-R139 IonicContact OD1-NH1 3.77Å; D113-R139 IonicContact OD1-NH2 2.86Å; D113-R139 PolarHBondContact OD1-NH2 3.43Å; D113-R139 IonicContact OD2-CZ 3.45Å; D113-R139 IonicContact OD2-NH1 2.84Å; D113-R139 PolarHBondContact OD2-NH1 2.85Å; D113-R139 IonicContact OD2-NH2 3.25Å; D113-R139 PolarHBondContact OD2-NH2 3.14Å; P137-R139 PolarHBondContact O-N 3.22Å; P137-R139 VanDerWaalsContact O-N 3.12Å; R139-T141 PolarHBondContact O-N 3.17Å | ||
| 140 | P | 62.4 | Low | 74.7 | Confident | 122 Ų | 122 | 109.5 Ų | 109.5 | 79% | 0.792 | 61% | 0.607 | S | S | * | * | trans | -57.5 | 131.8 | 170.4 | -22.3 | 33.3 | 0 | 0 | 0 | 110.1 | ||||
| 141 | T | 57.9 | Low | 73.2 | Confident | 188 Ų | 188 | 111.9 Ų | 111.9 | 100% | 1.153 | 63% | 0.633 | S | S | * | * | trans | -81.9 | 0 | 175.7 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | R139 | R139-T141 PolarHBondContact O-N 3.17Š|
Retrieved 141 of 141 residues in 228.3 ms
(Link to these results)