| 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 | 48.3 | Very low | 51 | Low | 245 Ų | 245 | 144.3 Ų | 144.3 | 100% | 1.207 | 86% | 0.862 | S | S | * | * | 0 | 132.5 | 0 | -78.4 | -76.6 | -171 | 0 | 0 | 108.1 | |||||
| 2 | A | 49.6 | Very low | 51.2 | Low | 103 Ų | 103 | 146.6 Ų | 146.6 | 85% | 0.851 | 87% | 0.866 | S | S | * | * | trans | 71 | 110.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | S | 43.4 | Very low | 51.5 | Low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 86% | 0.857 | S | S | * | * | -146.2 | 117.1 | 126.4 | -166.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 4 | R | 59.6 | Low | 51.8 | Low | 226 Ų | 226 | 139.1 Ų | 139.1 | 85% | 0.853 | 85% | 0.854 | S | S | * | * | trans | -76.3 | 156.1 | 167.3 | -68.8 | 176.2 | 171.6 | -169.3 | -2.7 | 108.1 | ||||
| 5 | L | 55.1 | Low | 52.1 | Low | 151 Ų | 151 | 141.8 Ų | 141.8 | 79% | 0.791 | 85% | 0.852 | S | S | * | * | trans | 171.3 | 99.7 | 140.2 | -87.8 | 161.4 | 0 | 0 | 0 | 106.7 | ||||
| 6 | L | 52.5 | Low | 52.2 | Low | 136 Ų | 136 | 138.8 Ų | 138.8 | 71% | 0.712 | 85% | 0.847 | S | S | * | * | 82.2 | 112.6 | 99.3 | -79.3 | 179.3 | 0 | 0 | 0 | 115.4 | |||||
| 7 | R | 49.9 | Very low | 52.1 | Low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.906 | 85% | 0.846 | S | S | * | * | trans | 51.2 | 115.7 | 132.8 | -67.8 | -177.3 | 178.3 | -149.9 | -2.4 | 119.2 | ||||
| 8 | G | 48.6 | Very low | 52.3 | Low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -164.4 | 79.8 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G10 | G8-G10 PolarHBondContact O-N 3.06Å; G8-G10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | A | 53.2 | Low | 52.2 | Low | 113 Ų | 113 | 144.3 Ų | 144.3 | 93% | 0.934 | 85% | 0.845 | S | S | * | * | trans | -76.4 | 93.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 10 | G | 44.6 | Very low | 52.4 | Low | 72 Ų | 72 | 148.5 Ų | 148.5 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | trans | -87.5 | 99.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G8 L12 | G8-G10 PolarHBondContact O-N 3.06Å; G8-G10 VanDerWaalsContact O-N 3.16Å; G10-L12 PolarHBondContact O-N 3.04Å; G10-L12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | A | 56.3 | Low | 52.7 | Low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -73 | 100.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | A13 | A11-A13 PolarHBondContact O-N 3.47Š| ||
| 12 | L | 53.3 | Low | 53 | Low | 172 Ų | 172 | 138 Ų | 138 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -80.1 | 95.9 | 163.9 | -79.1 | 167.7 | 0 | 0 | 0 | 107.9 | G10 A14 | G10-L12 PolarHBondContact O-N 3.04Å; G10-L12 VanDerWaalsContact O-N 3.16Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 2.65Å | ||
| 13 | A | 55.5 | Low | 53.4 | Low | 91 Ų | 91 | 137.7 Ų | 137.7 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -65 | 96.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A11 Q15 | A11-A13 PolarHBondContact O-N 3.47Å; A13-Q15 PolarHBondContact O-N 2.99Å; A13-Q15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | A | 55.2 | Low | 54.1 | Low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -67.9 | 106.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | L12 A16 | L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 2.65Å; A14-A16 PolarHBondContact O-N 3.12Å | ||
| 15 | Q | 55.9 | Low | 54 | Low | 179 Ų | 179 | 131.1 Ų | 131.1 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -62.2 | 108.7 | 170 | -66.2 | 177.9 | 30.5 | 0 | 0 | 107.7 | A13 L17 | A13-Q15 PolarHBondContact O-N 2.99Å; A13-Q15 VanDerWaalsContact O-N 3.1Å; Q15-L17 VanDerWaalsContact C-N 3.33Å; Q15-L17 PolarHBondContact O-N 3.48Å | ||
| 16 | A | 54.4 | Low | 54.3 | Low | 93 Ų | 93 | 127.7 Ų | 127.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -66.8 | 96.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108 | A14 R18 | A14-A16 PolarHBondContact O-N 3.12Å; A16-R18 VanDerWaalsContact C-N 3.26Å; A16-R18 PolarHBondContact O-N 3.14Å | ||
| 17 | L | 50 | Low | 54.6 | Low | 158 Ų | 158 | 125.8 Ų | 125.8 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -61.6 | 94.7 | 163 | -80.7 | 160 | 0 | 0 | 0 | 107.2 | Q15 V19 | Q15-L17 VanDerWaalsContact C-N 3.33Å; Q15-L17 PolarHBondContact O-N 3.48Å; L17-V19 VanDerWaalsContact C-N 3.26Å; L17-V19 PolarHBondContact O-N 3.47Å | ||
| 18 | R | 55.6 | Low | 55.1 | Low | 233 Ų | 233 | 120.7 Ų | 120.7 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 95.5 | 161.9 | -72.6 | -173.6 | 179.7 | 162.5 | 0.2 | 106.5 | A16 R20 | A16-R18 VanDerWaalsContact C-N 3.26Å; A16-R18 PolarHBondContact O-N 3.14Å; R18-R20 PolarHBondContact O-N 3.38Å | ||
| 19 | V | 51.6 | Low | 55.8 | Low | 130 Ų | 130 | 124.9 Ų | 124.9 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | -60.9 | 96.2 | 161.5 | 175.3 | 0 | 0 | 0 | 0 | 105.9 | L17 G21 | L17-V19 VanDerWaalsContact C-N 3.26Å; L17-V19 PolarHBondContact O-N 3.47Å; V19-G21 PolarHBondContact O-N 3.07Å | ||
| 20 | R | 55.9 | Low | 56.2 | Low | 229 Ų | 229 | 124.7 Ų | 124.7 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -63.9 | 95.8 | 157.3 | -106.5 | 176.1 | 166.4 | 163.8 | -5.3 | 104.7 | R18 | R18-R20 PolarHBondContact O-N 3.38Š| ||
| 21 | G | 58.6 | Low | 56.9 | Low | 42 Ų | 42 | 129.5 Ų | 129.5 | 43% | 0.433 | 78% | 0.776 | S | S | . | * | trans | -51.9 | 152 | 161 | 0 | 0 | 0 | 0 | 0 | 108.6 | V19 S23 | V19-G21 PolarHBondContact O-N 3.07Å; G21-S23 PolarHBondContact O-N 3.14Å | ||
| 22 | P | 54 | Low | 57 | Low | 130 Ų | 130 | 128.6 Ų | 128.6 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | trans | -56.1 | 114.1 | -179.2 | 24.7 | -30.8 | 0 | 0 | 0 | 107.2 | G24 | P22-G24 PolarHBondContact O-N 3.37Š| ||
| 23 | S | 58.9 | Low | 57.3 | Low | 97 Ų | 97 | 127.9 Ų | 127.9 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -52.5 | 114.4 | 165.4 | -64.1 | 0 | 0 | 0 | 0 | 105.3 | G21 V25 | G21-S23 PolarHBondContact O-N 3.14Å; S23-V25 PolarHBondContact O-N 2.78Å | ||
| 24 | G | 58.1 | Low | 57.7 | Low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -48.2 | 111 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107 | P22 A26 | P22-G24 PolarHBondContact O-N 3.37Å; G24-A26 VanDerWaalsContact C-N 3.32Å; G24-A26 PolarHBondContact O-N 3.17Å | ||
| 25 | V | 56.8 | Low | 58.4 | Low | 136 Ų | 136 | 125.6 Ų | 125.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 103.9 | -180 | -178 | 0 | 0 | 0 | 0 | 104.2 | S23 A27 | S23-V25 PolarHBondContact O-N 2.78Å; V25-A27 PolarHBondContact O-N 2.85Å | ||
| 26 | A | 60.5 | Low | 59.7 | Low | 79 Ų | 79 | 120.6 Ų | 120.6 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | trans | -57.1 | 110.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | G24 V28 | G24-A26 VanDerWaalsContact C-N 3.32Å; G24-A26 PolarHBondContact O-N 3.17Å; A26-V28 PolarHBondContact O-N 2.91Å | ||
| 27 | A | 60.3 | Low | 61.4 | Low | 97 Ų | 97 | 124 Ų | 124 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -67.9 | 85.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V25 R29 | V25-A27 PolarHBondContact O-N 2.85Å; A27-R29 PolarHBondContact O-N 3.34Å | ||
| 28 | V | 60.3 | Low | 63.2 | Low | 132 Ų | 132 | 119.7 Ų | 119.7 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -79.4 | 108.9 | 169.5 | -178.5 | 0 | 0 | 0 | 0 | 106.3 | A26 | A26-V28 PolarHBondContact O-N 2.91Š| ||
| 29 | R | 62.6 | Low | 65 | Low | 166 Ų | 166 | 112.2 Ų | 112.2 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 139.7 | 174.5 | -86.4 | -171.7 | 169.9 | -156.7 | 3.1 | 110.5 | A27 M31 E42 | A27-R29 PolarHBondContact O-N 3.34Å; R29-M31 PolarHBondContact O-N 3.23Å; R29-E42 IonicContact CZ-OE1 3.18Å; R29-E42 IonicContact NH1-OE1 3.51Å; R29-E42 PolarHBondContact NH1-OE1 3.35Å; R29-E42 IonicContact NH2-OE1 3.57Å |
| 30 | S | 61.4 | Low | 67 | Low | 109 Ų | 109 | 111 Ų | 111 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 127.9 | 158.8 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | A32 | S30-A32 PolarHBondContact O-N 3.49Å; S30-A32 VanDerWaalsContact O-N 3.09Å |
| 31 | M | 59.5 | Low | 68.8 | Low | 173 Ų | 173 | 103.7 Ų | 103.7 | 85% | 0.852 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -51 | 119 | 172.7 | -64.7 | -71.7 | -84.2 | 0 | 0 | 108.1 | R29 T33 | R29-M31 PolarHBondContact O-N 3.23Å; M31-T33 PolarHBondContact O-N 2.86Å |
| 32 | A | 58.8 | Low | 70.4 | Confident | 82 Ų | 82 | 105.8 Ų | 105.8 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 129.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S30 G34 | S30-A32 PolarHBondContact O-N 3.49Å; S30-A32 VanDerWaalsContact O-N 3.09Å; A32-G34 PolarHBondContact O-N 2.86Å |
| 33 | T | 60 | Low | 72.3 | Confident | 158 Ų | 158 | 106.2 Ų | 106.2 | 97% | 0.969 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -71.9 | 7.8 | 178.3 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | M31 | M31-T33 PolarHBondContact O-N 2.86Š|
| 34 | G | 62.1 | Low | 74 | Confident | 56 Ų | 56 | 102 Ų | 102 | 58% | 0.577 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -141.1 | 117.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | A32 | A32-G34 PolarHBondContact O-N 2.86Š|
| 35 | G | 71.1 | Confident | 75.8 | Confident | 85 Ų | 85 | 103.7 Ų | 103.7 | 88% | 0.876 | 65% | 0.651 | S | S | * | * | trans | -59.9 | 170.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 36 | G | 83.9 | Confident | 77.6 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 76% | 0.763 | 63% | 0.632 | S | S | * | * | trans | 163.3 | 166.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 37 | I | 88.2 | Confident | 79.2 | Confident | 164 Ų | 164 | 100 Ų | 100 | 84% | 0.841 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 124.3 | 170.1 | -60 | 175.4 | 0 | 0 | 0 | 107.7 | ||
| 38 | P | 89.5 | Confident | 80.9 | Confident | 68 Ų | 68 | 101 Ų | 101 | 44% | 0.442 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 146.9 | 179.4 | -25.1 | 35.7 | 0 | 0 | 0 | 113.3 | Q43 | P38-Q43 HydrophobicContact CB-CB 4.1Å; P38-Q43 VanDerWaalsContact CG-OE1 3.31Å |
| 39 | T | 92.9 | Very high | 82.6 | Confident | 75 Ų | 75 | 99.1 Ų | 99.1 | 46% | 0.46 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -91.1 | 161.2 | 172.6 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | D41 E42 Q43 | T39-D41 VanDerWaalsContact C-N 3.27Å; T39-D41 PolarHBondContact O-N 3.04Å; T39-E42 PolarHBondContact N-OE2 3.13Å; T39-E42 VanDerWaalsContact N-OE2 3.14Å; T39-E42 WeakPolarHBondContact O-CB 3.39Å; T39-E42 PolarHBondContact O-N 3.25Å; T39-E42 WeakPolarHBondContact OG1-CG 3.49Å; T39-E42 PolarHBondContact OG1-OE2 3.35Å; T39-Q43 PolarHBondContact O-N 2.87Å |
| 40 | D | 94.2 | Very high | 84.1 | Confident | 104 Ų | 104 | 94.5 Ų | 94.5 | 56% | 0.556 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.9 | -34.3 | 179.1 | -61.4 | -23.8 | 0 | 0 | 0 | 112.4 | E42 Q43 A44 M52 | D40-E42 PolarHBondContact O-N 3.02Å; D40-E42 VanDerWaalsContact O-N 3.14Å; D40-Q43 PolarHBondContact O-N 2.9Å; D40-A44 HydrophobicContact CB-CB 4.17Å; D40-A44 WeakPolarHBondContact O-CA 3.32Å; D40-A44 WeakPolarHBondContact O-CB 3.33Å; D40-A44 PolarHBondContact O-N 2.81Å; D40-M52 HydrophobicContact CB-SD 3.88Å |
| 41 | D | 93.6 | Very high | 85.7 | Confident | 77 Ų | 77 | 91 Ų | 91 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57.6 | -31 | 174.3 | -86.3 | -41.8 | 0 | 0 | 0 | 112.6 | T39 R49 R56 | T39-D41 VanDerWaalsContact C-N 3.27Å; T39-D41 PolarHBondContact O-N 3.04Å; D41-R49 PolarHBondContact O-NH1 2.91Å; D41-R56 IonicContact OD1-CZ 3.37Å; D41-R56 IonicContact OD1-NH1 2.69Å; D41-R56 PolarHBondContact OD1-NH1 3.46Å; D41-R56 IonicContact OD1-NH2 3.4Å; D41-R56 PolarHBondContact OD1-NH2 2.74Å; D41-R56 IonicContact OD2-NH2 2.78Å; D41-R56 PolarHBondContact OD2-NH2 3.01Å |
| 42 | E | 90.9 | Very high | 87.4 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -92.9 | -34.1 | -175.7 | -62.1 | 177.7 | 114.5 | 0 | 0 | 113.7 | R29 T39 D40 | R29-E42 IonicContact CZ-OE1 3.18Å; R29-E42 IonicContact NH1-OE1 3.51Å; R29-E42 PolarHBondContact NH1-OE1 3.35Å; R29-E42 IonicContact NH2-OE1 3.57Å; T39-E42 PolarHBondContact N-OE2 3.13Å; T39-E42 VanDerWaalsContact N-OE2 3.14Å; T39-E42 WeakPolarHBondContact O-CB 3.39Å; T39-E42 PolarHBondContact O-N 3.25Å; T39-E42 WeakPolarHBondContact OG1-CG 3.49Å; T39-E42 PolarHBondContact OG1-OE2 3.35Å; D40-E42 PolarHBondContact O-N 3.02Å; D40-E42 VanDerWaalsContact O-N 3.14Å |
| 43 | Q | 94.3 | Very high | 89.1 | Confident | 139 Ų | 139 | 83.9 Ų | 83.9 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -121.2 | -20.8 | -170 | -165.4 | 170.8 | -65.8 | 0 | 0 | 114.7 | P38 T39 D40 T45 | P38-Q43 HydrophobicContact CB-CB 4.1Å; P38-Q43 VanDerWaalsContact CG-OE1 3.31Å; T39-Q43 PolarHBondContact O-N 2.87Å; D40-Q43 PolarHBondContact O-N 2.9Å; Q43-T45 PolarHBondContact O-N 3.38Å |
| 44 | A | 95.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 76.9 Ų | 76.9 | 6% | 0.058 | 46% | 0.462 | C | S | . | . | trans | -59.7 | 134.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | D40 E48 R49 M52 | D40-A44 HydrophobicContact CB-CB 4.17Å; D40-A44 WeakPolarHBondContact O-CA 3.32Å; D40-A44 WeakPolarHBondContact O-CB 3.33Å; D40-A44 PolarHBondContact O-N 2.81Å; A44-E48 HydrophobicContact CB-CG 4.03Å; A44-R49 HydrophobicContact CB-CB 4.38Å; A44-R49 WeakPolarHBondContact O-CB 3.36Å; A44-R49 VanDerWaalsContact O-CD 3.31Å; A44-R49 WeakPolarHBondContact O-CD 3.4Å; A44-R49 PolarHBondContact O-NH1 3.38Å; A44-M52 HydrophobicContact CB-CE 4.42Å | ||
| 45 | T | 94.9 | Very high | 92.4 | Very high | 110 Ų | 110 | 77.3 Ų | 77.3 | 68% | 0.675 | 46% | 0.46 | S | S | * | . | trans | -137.9 | 170.8 | -175.4 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | Q43 E48 R49 | Q43-T45 PolarHBondContact O-N 3.38Å; T45-E48 PolarHBondContact O-N 3.04Å; T45-R49 PolarHBondContact O-N 3.32Å | ||
| 46 | G | 94.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 80.6 Ų | 80.6 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | 54.2 | -140.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E48 R49 E50 | G46-E48 VanDerWaalsContact C-N 3.26Å; G46-E48 PolarHBondContact O-N 3.14Å; G46-R49 PolarHBondContact O-N 2.82Å; G46-E50 WeakPolarHBondContact O-CG 3.29Å; G46-E50 PolarHBondContact O-N 2.92Å; G46-E50 VanDerWaalsContact O-N 3.11Å |
| 47 | L | 94.6 | Very high | 94 | Very high | 99 Ų | 99 | 84.7 Ų | 84.7 | 52% | 0.518 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.2 | -34.2 | -176.4 | -177.1 | 61.2 | 0 | 0 | 0 | 113 | E50 V51 Y62 | L47-E50 PolarHBondContact O-N 2.85Å; L47-V51 HydrophobicContact CD1-CG2 4.05Å; L47-V51 HydrophobicContact CG-CG2 4.21Å; L47-V51 WeakPolarHBondContact O-CB 3.48Å; L47-V51 VanDerWaalsContact O-CG2 3.26Å; L47-V51 WeakPolarHBondContact O-CG2 3.25Å; L47-V51 PolarHBondContact O-N 3.45Å; L47-Y62 HydrophobicContact CD1-CD1 3.75Å; L47-Y62 HydrophobicContact CD1-CD2 3.72Å; L47-Y62 HydrophobicContact CD1-CE1 3.44Å; L47-Y62 VanDerWaalsContact CD1-CE1 3.44Å; L47-Y62 HydrophobicContact CD1-CE2 3.39Å; L47-Y62 HydrophobicContact CD1-CG 3.9Å |
| 48 | E | 95.8 | Very high | 94.3 | Very high | 118 Ų | 118 | 80.2 Ų | 80.2 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.4 | -49.2 | 176.9 | 179.8 | -174.6 | -150 | 0 | 0 | 110.9 | A44 T45 G46 E50 V51 M52 | A44-E48 HydrophobicContact CB-CG 4.03Å; T45-E48 PolarHBondContact O-N 3.04Å; G46-E48 VanDerWaalsContact C-N 3.26Å; G46-E48 PolarHBondContact O-N 3.14Å; E48-E50 PolarHBondContact O-N 2.9Å; E48-V51 PolarHBondContact O-N 2.85Å; E48-M52 WeakPolarHBondContact O-CB 3.22Å; E48-M52 PolarHBondContact O-N 2.93Å |
| 49 | R | 95.1 | Very high | 94.5 | Very high | 91 Ų | 91 | 82.2 Ų | 82.2 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 176.9 | -167.5 | -177.6 | -176.6 | 75.9 | 5.1 | 111.7 | D41 A44 T45 G46 M52 L53 | D41-R49 PolarHBondContact O-NH1 2.91Å; A44-R49 HydrophobicContact CB-CB 4.38Å; A44-R49 WeakPolarHBondContact O-CB 3.36Å; A44-R49 VanDerWaalsContact O-CD 3.31Å; A44-R49 WeakPolarHBondContact O-CD 3.4Å; A44-R49 PolarHBondContact O-NH1 3.38Å; T45-R49 PolarHBondContact O-N 3.32Å; G46-R49 PolarHBondContact O-N 2.82Å; R49-M52 PolarHBondContact O-N 2.89Å; R49-L53 HydrophobicContact CG-CD1 3.97Å; R49-L53 HydrophobicContact CG-CG 4.34Å; R49-L53 WeakPolarHBondContact O-CB 3.48Å; R49-L53 VanDerWaalsContact O-CG 3.25Å; R49-L53 WeakPolarHBondContact O-CG 3.31Å; R49-L53 PolarHBondContact O-N 2.84Å |
| 50 | E | 94.6 | Very high | 94.5 | Very high | 70 Ų | 70 | 81.2 Ų | 81.2 | 33% | 0.327 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | -179.1 | -70.3 | 172.8 | -155 | 0 | 0 | 112 | G46 L47 E48 L53 A54 Y62 | G46-E50 WeakPolarHBondContact O-CG 3.29Å; G46-E50 PolarHBondContact O-N 2.92Å; G46-E50 VanDerWaalsContact O-N 3.11Å; L47-E50 PolarHBondContact O-N 2.85Å; E48-E50 PolarHBondContact O-N 2.9Å; E50-L53 PolarHBondContact O-N 2.92Å; E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.36Å; E50-A54 PolarHBondContact O-N 3.5Å; E50-Y62 HydrophobicContact CB-CE2 4.05Å; E50-Y62 PolarHBondContact OE2-OH 3.26Å |
| 51 | V | 95.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 77.6 Ų | 77.6 | 22% | 0.218 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 174.9 | 168.1 | 0 | 0 | 0 | 0 | 110.6 | L47 E48 L53 A54 A55 Y62 I64 | L47-V51 HydrophobicContact CD1-CG2 4.05Å; L47-V51 HydrophobicContact CG-CG2 4.21Å; L47-V51 WeakPolarHBondContact O-CB 3.48Å; L47-V51 VanDerWaalsContact O-CG2 3.26Å; L47-V51 WeakPolarHBondContact O-CG2 3.25Å; L47-V51 PolarHBondContact O-N 3.45Å; E48-V51 PolarHBondContact O-N 2.85Å; V51-L53 PolarHBondContact O-N 3.5Å; V51-A54 PolarHBondContact O-N 3.02Å; V51-A55 WeakPolarHBondContact O-CB 3.29Å; V51-A55 PolarHBondContact O-N 3.06Å; V51-Y62 HydrophobicContact CG2-CD2 3.47Å; V51-Y62 VanDerWaalsContact CG2-CD2 3.47Å; V51-Y62 HydrophobicContact CG2-CE2 4.19Å; V51-Y62 HydrophobicContact CG2-CG 4.05Å; V51-I64 HydrophobicContact CB-CD1 4.43Å; V51-I64 HydrophobicContact CG1-CD1 3.32Å; V51-I64 HydrophobicContact CG2-CD1 4.19Å |
| 52 | M | 95.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 77 Ų | 77 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 179.8 | -178 | -176.2 | 70.7 | 0 | 0 | 111.9 | D40 A44 E48 R49 R56 | D40-M52 HydrophobicContact CB-SD 3.88Å; A44-M52 HydrophobicContact CB-CE 4.42Å; E48-M52 WeakPolarHBondContact O-CB 3.22Å; E48-M52 PolarHBondContact O-N 2.93Å; R49-M52 PolarHBondContact O-N 2.89Å; M52-R56 PolarHBondContact O-N 3.43Å; M52-R56 VanDerWaalsContact O-N 3.16Å |
| 53 | L | 94.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 77 Ų | 77 | 31% | 0.314 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.2 | -35.3 | 178.9 | -68.9 | 176.3 | 0 | 0 | 0 | 112.7 | R49 E50 V51 K57 | R49-L53 HydrophobicContact CG-CD1 3.97Å; R49-L53 HydrophobicContact CG-CG 4.34Å; R49-L53 WeakPolarHBondContact O-CB 3.48Å; R49-L53 VanDerWaalsContact O-CG 3.25Å; R49-L53 WeakPolarHBondContact O-CG 3.31Å; R49-L53 PolarHBondContact O-N 2.84Å; E50-L53 PolarHBondContact O-N 2.92Å; V51-L53 PolarHBondContact O-N 3.5Å; L53-K57 WeakPolarHBondContact O-CG 3.33Å; L53-K57 PolarHBondContact O-N 3.26Å |
| 54 | A | 94.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 75.5 Ų | 75.5 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.4 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E50 V51 R56 K57 G58 L59 P61 | E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.36Å; E50-A54 PolarHBondContact O-N 3.5Å; V51-A54 PolarHBondContact O-N 3.02Å; A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 2.91Å; A54-K57 CarbonylContact O-C 3.52Å; A54-K57 WeakPolarHBondContact O-CA 3.45Å; A54-K57 WeakPolarHBondContact O-CB 3.23Å; A54-K57 PolarHBondContact O-N 3.26Å; A54-G58 PolarHBondContact O-N 2.72Å; A54-L59 CarbonylContact C-O 3.3Å; A54-L59 VanDerWaalsContact C-O 3.3Å; A54-L59 HydrophobicContact CB-CB 4.39Å; A54-L59 PolarHBondContact O-N 3.18Å; A54-P61 HydrophobicContact CB-CG 3.69Å |
| 55 | A | 95.1 | Very high | 94.9 | Very high | 64 Ų | 64 | 81 Ų | 81 | 53% | 0.529 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V51 K57 G58 | V51-A55 WeakPolarHBondContact O-CB 3.29Å; V51-A55 PolarHBondContact O-N 3.06Å; A55-K57 PolarHBondContact O-N 3.19Å; A55-G58 PolarHBondContact O-N 3.22Å |
| 56 | R | 95.4 | Very high | 94.8 | Very high | 154 Ų | 154 | 80.1 Ų | 80.1 | 58% | 0.581 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.5 | -27.6 | 174.5 | -170 | 177.6 | -63.3 | 163 | 3.5 | 113.2 | D41 M52 A54 G58 | D41-R56 IonicContact OD1-CZ 3.37Å; D41-R56 IonicContact OD1-NH1 2.69Å; D41-R56 PolarHBondContact OD1-NH1 3.46Å; D41-R56 IonicContact OD1-NH2 3.4Å; D41-R56 PolarHBondContact OD1-NH2 2.74Å; D41-R56 IonicContact OD2-NH2 2.78Å; D41-R56 PolarHBondContact OD2-NH2 3.01Å; M52-R56 PolarHBondContact O-N 3.43Å; M52-R56 VanDerWaalsContact O-N 3.16Å; A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 2.91Å; R56-G58 VanDerWaalsContact C-N 3.34Å |
| 57 | K | 94.9 | Very high | 94.8 | Very high | 161 Ų | 161 | 84.2 Ų | 84.2 | 70% | 0.7 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 1.7 | 175.1 | -64.2 | 173.9 | -177 | 175.9 | 0 | 113 | L53 A54 A55 L59 | L53-K57 WeakPolarHBondContact O-CG 3.33Å; L53-K57 PolarHBondContact O-N 3.26Å; A54-K57 CarbonylContact O-C 3.52Å; A54-K57 WeakPolarHBondContact O-CA 3.45Å; A54-K57 WeakPolarHBondContact O-CB 3.23Å; A54-K57 PolarHBondContact O-N 3.26Å; A55-K57 PolarHBondContact O-N 3.19Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 HydrophobicContact CB-CD1 4.16Å; K57-L59 HydrophobicContact CB-CG 4.11Å; K57-L59 HydrophobicContact CD-CD1 4.5Å; K57-L59 PolarHBondContact O-N 3.44Å |
| 58 | G | 93.7 | Very high | 94.3 | Very high | 70 Ų | 70 | 89 Ų | 89 | 72% | 0.722 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 22.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A54 A55 R56 | A54-G58 PolarHBondContact O-N 2.72Å; A55-G58 PolarHBondContact O-N 3.22Å; R56-G58 VanDerWaalsContact C-N 3.34Å |
| 59 | L | 93.2 | Very high | 93.6 | Very high | 109 Ų | 109 | 86.7 Ų | 86.7 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | trans | -104 | 148.7 | 178.4 | -59.7 | 176.3 | 0 | 0 | 0 | 110.5 | A54 K57 | A54-L59 CarbonylContact C-O 3.3Å; A54-L59 VanDerWaalsContact C-O 3.3Å; A54-L59 HydrophobicContact CB-CB 4.39Å; A54-L59 PolarHBondContact O-N 3.18Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 HydrophobicContact CB-CD1 4.16Å; K57-L59 HydrophobicContact CB-CG 4.11Å; K57-L59 HydrophobicContact CD-CD1 4.5Å; K57-L59 PolarHBondContact O-N 3.44Å | ||
| 60 | D | 94.5 | Very high | 93.4 | Very high | 55 Ų | 55 | 84.9 Ų | 84.9 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | trans | -130.1 | 70.7 | 176.5 | -176.5 | 23.9 | 0 | 0 | 0 | 111.7 | Y62 N63 I64 L65 | D60-Y62 PolarHBondContact O-N 2.97Å; D60-N63 PolarHBondContact OD1-N 3.36Å; D60-N63 VanDerWaalsContact OD1-N 3.08Å; D60-N63 WeakPolarHBondContact OD2-CA 3.49Å; D60-I64 VanDerWaalsContact CG-N 3.32Å; D60-I64 PolarHBondContact OD1-N 3.16Å; D60-I64 PolarHBondContact OD2-N 2.88Å; D60-L65 PolarHBondContact OD2-N 2.97Å | ||
| 61 | P | 93.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 85.2 Ų | 85.2 | 18% | 0.182 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.8 | 179.4 | 25.4 | -31.7 | 0 | 0 | 0 | 112.7 | A54 N63 L127 | A54-P61 HydrophobicContact CB-CG 3.69Å; P61-N63 PolarHBondContact O-ND2 2.98Å; P61-L127 HydrophobicContact CB-CD2 3.49Å; P61-L127 VanDerWaalsContact CB-CD2 3.49Å; P61-L127 WeakPolarHBondContact O-CD2 3.46Å |
| 62 | Y | 94.9 | Very high | 93.2 | Very high | 64 Ų | 64 | 83.9 Ų | 83.9 | 25% | 0.251 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 11.5 | -173.9 | -66.3 | -67.6 | 0 | 0 | 0 | 113.9 | L47 E50 V51 D60 I64 L127 | L47-Y62 HydrophobicContact CD1-CD1 3.75Å; L47-Y62 HydrophobicContact CD1-CD2 3.72Å; L47-Y62 HydrophobicContact CD1-CE1 3.44Å; L47-Y62 VanDerWaalsContact CD1-CE1 3.44Å; L47-Y62 HydrophobicContact CD1-CE2 3.39Å; L47-Y62 HydrophobicContact CD1-CG 3.9Å; E50-Y62 HydrophobicContact CB-CE2 4.05Å; E50-Y62 PolarHBondContact OE2-OH 3.26Å; V51-Y62 HydrophobicContact CG2-CD2 3.47Å; V51-Y62 VanDerWaalsContact CG2-CD2 3.47Å; V51-Y62 HydrophobicContact CG2-CE2 4.19Å; V51-Y62 HydrophobicContact CG2-CG 4.05Å; D60-Y62 PolarHBondContact O-N 2.97Å; Y62-I64 PolarHBondContact O-N 2.85Å; Y62-L127 HydrophobicContact CE1-CD1 4.48Å |
| 63 | N | 94.8 | Very high | 93.3 | Very high | 85 Ų | 85 | 84.5 Ų | 84.5 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | trans | 55.6 | 44.9 | 173 | -54.1 | -101.5 | 0 | 0 | 0 | 113.3 | D60 P61 R87 | D60-N63 PolarHBondContact OD1-N 3.36Å; D60-N63 VanDerWaalsContact OD1-N 3.08Å; D60-N63 WeakPolarHBondContact OD2-CA 3.49Å; P61-N63 PolarHBondContact O-ND2 2.98Å; N63-R87 PolarHBondContact OD1-NH1 2.94Å; N63-R87 PolarHBondContact OD1-NH2 3.39Å | ||
| 64 | I | 96.3 | Very high | 93.3 | Very high | 109 Ų | 109 | 88.9 Ų | 88.9 | 56% | 0.559 | 51% | 0.509 | S | S | * | . | trans | -76.5 | -33.6 | 176.7 | -64 | 174.6 | 0 | 0 | 0 | 110.9 | V51 D60 Y62 | V51-I64 HydrophobicContact CB-CD1 4.43Å; V51-I64 HydrophobicContact CG1-CD1 3.32Å; V51-I64 HydrophobicContact CG2-CD1 4.19Å; D60-I64 VanDerWaalsContact CG-N 3.32Å; D60-I64 PolarHBondContact OD1-N 3.16Å; D60-I64 PolarHBondContact OD2-N 2.88Å; Y62-I64 PolarHBondContact O-N 2.85Å | ||
| 65 | L | 95.8 | Very high | 93.4 | Very high | 123 Ų | 123 | 95.9 Ų | 95.9 | 64% | 0.644 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -95 | 149.3 | -177.8 | -57.7 | 179.5 | 0 | 0 | 0 | 110.9 | D60 | D60-L65 PolarHBondContact OD2-N 2.97Š|
| 66 | A | 94.4 | Very high | 93.5 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 75% | 0.752 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 131.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 67 | P | 93.1 | Very high | 93.6 | Very high | 126 Ų | 126 | 89.7 Ų | 89.7 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 142.2 | 178.1 | 26.5 | -33.3 | 0 | 0 | 0 | 110.3 | ||
| 68 | K | 85.2 | Confident | 93.7 | Very high | 199 Ų | 199 | 83.1 Ų | 83.1 | 87% | 0.865 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 130.5 | 173.9 | -64.8 | -176 | -179.7 | -178.5 | 0 | 109.4 | ||
| 69 | G | 80.4 | Confident | 93.9 | Very high | 69 Ų | 69 | 84.7 Ų | 84.7 | 71% | 0.711 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 148.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 70 | T | 90.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 80.4 Ų | 80.4 | 33% | 0.331 | 45% | 0.452 | S | S | . | . | trans | -101.8 | -177.3 | 166.2 | 62.7 | 0 | 0 | 0 | 0 | 109.4 | G72 D76 P77 N78 | T70-G72 PolarHBondContact O-N 3.05Å; T70-G72 PolarHBondContact OG1-N 2.9Å; T70-D76 PolarHBondContact OG1-O 3.26Å; T70-P77 VanDerWaalsContact OG1-C 3.29Å; T70-P77 PolarHBondContact OG1-O 2.69Å; T70-N78 PolarHBondContact N-OD1 3.08Å; T70-N78 VanDerWaalsContact OG1-CA 3.25Å; T70-N78 WeakPolarHBondContact OG1-CA 3.46Å; T70-N78 PolarHBondContact OG1-N 3.35Å; T70-N78 VanDerWaalsContact OG1-N 3.14Å; T70-N78 PolarHBondContact OG1-OD1 2.87Å | ||
| 71 | S | 92.3 | Very high | 94.2 | Very high | 76 Ų | 76 | 80.2 Ų | 80.2 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | trans | -64 | -20.5 | 174 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | T73 D76 | S71-T73 PolarHBondContact O-N 2.92Å; S71-T73 PolarHBondContact OG-OG1 3.09Å; S71-T73 VanDerWaalsContact OG-OG1 3.04Å; S71-D76 WeakPolarHBondContact CB-OD2 3.36Å; S71-D76 PolarHBondContact N-OD2 3.41Å; S71-D76 WeakPolarHBondContact OG-CB 3.47Å; S71-D76 PolarHBondContact OG-O 3.42Å; S71-D76 PolarHBondContact OG-OD2 3.37Å | ||
| 72 | G | 94.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 79.3 Ų | 79.3 | 8% | 0.082 | 45% | 0.449 | C | S | . | . | trans | 70.2 | 17.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | T70 D76 H119 | T70-G72 PolarHBondContact O-N 3.05Å; T70-G72 PolarHBondContact OG1-N 2.9Å; G72-D76 WeakPolarHBondContact CA-O 3.5Å; G72-D76 PolarHBondContact N-O 2.91Å; G72-D76 VanDerWaalsContact N-O 3.07Å; G72-H119 PolarHBondContact O-N 2.93Å; G72-H119 PolarHBondContact O-ND1 2.78Å; G72-H119 VanDerWaalsContact O-ND1 3.17Å | ||
| 73 | T | 96.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 80.9 Ų | 80.9 | 36% | 0.356 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -78 | 172.3 | 174.9 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | S71 E75 D76 P77 H119 | S71-T73 PolarHBondContact O-N 2.92Å; S71-T73 PolarHBondContact OG-OG1 3.09Å; S71-T73 VanDerWaalsContact OG-OG1 3.04Å; T73-E75 VanDerWaalsContact C-N 3.26Å; T73-E75 PolarHBondContact O-N 3.45Å; T73-D76 PolarHBondContact N-O 3.49Å; T73-D76 VanDerWaalsContact N-O 3.14Å; T73-D76 CarbonylContact O-C 3.57Å; T73-D76 VanDerWaalsContact O-C 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.49Å; T73-D76 PolarHBondContact OG1-N 2.91Å; T73-P77 WeakPolarHBondContact O-CA 3.19Å; T73-H119 WeakPolarHBondContact O-CB 3.48Å |
| 74 | K | 95.6 | Very high | 94.5 | Very high | 152 Ų | 152 | 80.5 Ų | 80.5 | 66% | 0.661 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -67.6 | -34.9 | 179 | -176.7 | 179.8 | -179.9 | -178 | 0 | 111.1 | ||
| 75 | E | 96.8 | Very high | 94.5 | Very high | 158 Ų | 158 | 79.9 Ų | 79.9 | 74% | 0.738 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -78.7 | -33.8 | -179.1 | -60.6 | 67.6 | -144.8 | 0 | 0 | 111.6 | T73 | T73-E75 VanDerWaalsContact C-N 3.26Å; T73-E75 PolarHBondContact O-N 3.45Å |
| 76 | D | 96.8 | Very high | 94.6 | Very high | 74 Ų | 74 | 78.1 Ų | 78.1 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -127 | 74.6 | 177.5 | 175.5 | 49.4 | 0 | 0 | 0 | 110.7 | T70 S71 G72 T73 | T70-D76 PolarHBondContact OG1-O 3.26Å; S71-D76 WeakPolarHBondContact CB-OD2 3.36Å; S71-D76 PolarHBondContact N-OD2 3.41Å; S71-D76 WeakPolarHBondContact OG-CB 3.47Å; S71-D76 PolarHBondContact OG-O 3.42Å; S71-D76 PolarHBondContact OG-OD2 3.37Å; G72-D76 WeakPolarHBondContact CA-O 3.5Å; G72-D76 PolarHBondContact N-O 2.91Å; G72-D76 VanDerWaalsContact N-O 3.07Å; T73-D76 PolarHBondContact N-O 3.49Å; T73-D76 VanDerWaalsContact N-O 3.14Å; T73-D76 CarbonylContact O-C 3.57Å; T73-D76 VanDerWaalsContact O-C 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.49Å; T73-D76 PolarHBondContact OG1-N 2.91Å |
| 77 | P | 97.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 77.7 Ų | 77.7 | 10% | 0.097 | 43% | 0.429 | C | S | . | . | trans | -78.7 | 156.7 | 179.7 | 33.5 | -36.6 | 0 | 0 | 0 | 111.6 | T70 T73 L79 A110 H119 R121 | T70-P77 VanDerWaalsContact OG1-C 3.29Å; T70-P77 PolarHBondContact OG1-O 2.69Å; T73-P77 WeakPolarHBondContact O-CA 3.19Å; P77-L79 HydrophobicContact CG-CD2 4.42Å; P77-L79 PolarHBondContact O-N 3.18Å; P77-L79 VanDerWaalsContact O-N 3.12Å; P77-A110 HydrophobicContact CB-CB 4.37Å; P77-H119 HydrophobicContact CB-CB 3.75Å; P77-R121 HydrophobicContact CB-CB 4.27Å; P77-R121 HydrophobicContact CG-CB 4.04Å | ||
| 78 | N | 97.7 | Very high | 95.1 | Very high | 23 Ų | 23 | 75.9 Ų | 75.9 | 12% | 0.123 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 114.3 | 172.6 | -65.4 | -72.7 | 0 | 0 | 0 | 110.1 | T70 H119 Y120 R121 | T70-N78 PolarHBondContact N-OD1 3.08Å; T70-N78 VanDerWaalsContact OG1-CA 3.25Å; T70-N78 WeakPolarHBondContact OG1-CA 3.46Å; T70-N78 PolarHBondContact OG1-N 3.35Å; T70-N78 VanDerWaalsContact OG1-N 3.14Å; T70-N78 PolarHBondContact OG1-OD1 2.87Å; N78-H119 PolarHBondContact N-O 3.41Å; N78-H119 PolarHBondContact ND2-O 2.87Å; N78-Y120 HydrophobicContact CB-CD1 3.44Å; N78-Y120 VanDerWaalsContact CB-CD1 3.44Å; N78-Y120 HydrophobicContact CB-CE1 3.63Å; N78-Y120 HydrophobicContact CB-CG 4.14Å; N78-Y120 CarbonylContact O-C 3.52Å; N78-Y120 VanDerWaalsContact O-CA 3.31Å; N78-Y120 WeakPolarHBondContact O-CA 3.34Å; N78-R121 PolarHBondContact O-N 3.03Å |
| 79 | L | 97 | Very high | 95.7 | Very high | 103 Ų | 103 | 66.9 Ų | 66.9 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.5 | 178.1 | -56.2 | -176.7 | 0 | 0 | 0 | 109.8 | P77 P81 R121 V123 | P77-L79 HydrophobicContact CG-CD2 4.42Å; P77-L79 PolarHBondContact O-N 3.18Å; P77-L79 VanDerWaalsContact O-N 3.12Å; L79-P81 WeakPolarHBondContact O-CD 3.3Å; L79-R121 HydrophobicContact CD2-CB 4.23Å; L79-V123 HydrophobicContact CB-CG1 4.2Å; L79-V123 HydrophobicContact CB-CG2 4.32Å; L79-V123 HydrophobicContact CD2-CG1 3.92Å; L79-V123 HydrophobicContact CG-CG1 4.46Å |
| 80 | V | 97.5 | Very high | 96.6 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 101.1 | -176.7 | 178.6 | 0 | 0 | 0 | 0 | 109 | R87 V89 L105 Y120 R121 L122 V123 | V80-R87 HydrophobicContact CG1-CB 4.25Å; V80-R87 HydrophobicContact CG1-CG 4.17Å; V80-V89 HydrophobicContact CG1-CG2 4.2Å; V80-V89 HydrophobicContact CG2-CG2 4.13Å; V80-L105 HydrophobicContact CB-CD2 3.5Å; V80-L105 HydrophobicContact CG1-CD2 3.92Å; V80-L105 HydrophobicContact CG2-CD2 3.61Å; V80-Y120 HydrophobicContact CG2-CD1 3.88Å; V80-R121 PolarHBondContact N-O 3.22Å; V80-L122 HydrophobicContact CB-CD1 4.48Å; V80-L122 HydrophobicContact CG1-CD1 4.22Å; V80-L122 WeakPolarHBondContact O-CA 3.47Å; V80-V123 PolarHBondContact O-N 3.47Å |
| 81 | P | 96.4 | Very high | 96.9 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 135.9 | 178.3 | -21.2 | 32.9 | 0 | 0 | 0 | 111.3 | L79 R87 V123 H125 | L79-P81 WeakPolarHBondContact O-CD 3.3Å; P81-R87 WeakPolarHBondContact O-CD 3.3Å; P81-R87 PolarHBondContact O-NH1 2.98Å; P81-V123 CarbonylContact C-O 3.56Å; P81-V123 WeakPolarHBondContact CA-O 3Å; P81-V123 HydrophobicContact CB-CG2 4.26Å; P81-V123 HydrophobicContact CG-CG2 4.15Å; P81-H125 HydrophobicContact CB-CB 3.8Å |
| 82 | S | 96.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 64 Ų | 64 | 7% | 0.07 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 137.8 | 177 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | T84 V123 H125 | S82-T84 VanDerWaalsContact C-N 3.26Å; S82-T84 WeakPolarHBondContact CB-O 3.06Å; S82-T84 PolarHBondContact OG-N 3.43Å; S82-T84 PolarHBondContact OG-O 2.89Å; S82-T84 PolarHBondContact OG-OG1 3.47Å; S82-V123 PolarHBondContact N-O 3.37Å; S82-H125 PolarHBondContact O-N 3.3Å |
| 83 | V | 96.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 65 Ų | 65 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -80.2 | -10.5 | 172.6 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | H125 L127 | V83-H125 HydrophobicContact CG1-CB 4.44Å; V83-L127 HydrophobicContact CG1-CD1 3.81Å; V83-L127 HydrophobicContact CG1-CG 3.93Å |
| 84 | T | 96.3 | Very high | 97.1 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -125.5 | 177.1 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 111.2 | S82 K86 | S82-T84 VanDerWaalsContact C-N 3.26Å; S82-T84 WeakPolarHBondContact CB-O 3.06Å; S82-T84 PolarHBondContact OG-N 3.43Å; S82-T84 PolarHBondContact OG-O 2.89Å; S82-T84 PolarHBondContact OG-OG1 3.47Å; T84-K86 PolarHBondContact O-N 3.26Å; T84-K86 PolarHBondContact OG1-N 3.31Å; T84-K86 PolarHBondContact OG1-O 3.11Å |
| 85 | N | 97.8 | Very high | 96.9 | Very high | 95 Ų | 95 | 70.2 Ų | 70.2 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -76.3 | 3.3 | 179 | 70.1 | -21.6 | 0 | 0 | 0 | 115.2 | H106 E107 | N85-H106 CarbonylContact O-C 3.42Å; N85-H106 WeakPolarHBondContact O-CA 3.42Å; N85-E107 HydrophobicContact CB-CB 4.18Å; N85-E107 PolarHBondContact O-N 3.05Å |
| 86 | K | 97.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 69.8 Ų | 69.8 | 38% | 0.378 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 145.4 | 172.3 | 62.2 | -178.3 | -178.9 | 177.9 | 0 | 113 | T84 W104 L105 | T84-K86 PolarHBondContact O-N 3.26Å; T84-K86 PolarHBondContact OG1-N 3.31Å; T84-K86 PolarHBondContact OG1-O 3.11Å; K86-W104 HydrophobicContact CB-CE3 4.12Å; K86-W104 HydrophobicContact CD-CD2 4.39Å; K86-W104 HydrophobicContact CD-CE3 3.81Å; K86-W104 HydrophobicContact CD-CZ3 4.05Å; K86-W104 HydrophobicContact CG-CE3 3.88Å; K86-W104 HydrophobicContact CG-CZ3 3.94Å; K86-L105 CarbonylContact C-O 3.57Å; K86-L105 WeakPolarHBondContact CA-O 3.5Å; K86-L105 VanDerWaalsContact CB-O 3.3Å; K86-L105 WeakPolarHBondContact CB-O 3.45Å |
| 87 | R | 98.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 67.9 Ų | 67.9 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.7 | 176.7 | -176.4 | 167.2 | 174.2 | 178.4 | 3.8 | 110.5 | N63 V80 P81 L105 L122 | N63-R87 PolarHBondContact OD1-NH1 2.94Å; N63-R87 PolarHBondContact OD1-NH2 3.39Å; V80-R87 HydrophobicContact CG1-CB 4.25Å; V80-R87 HydrophobicContact CG1-CG 4.17Å; P81-R87 WeakPolarHBondContact O-CD 3.3Å; P81-R87 PolarHBondContact O-NH1 2.98Å; R87-L105 PolarHBondContact N-O 2.99Å; R87-L105 WeakPolarHBondContact O-CB 3.25Å; R87-L105 PolarHBondContact O-N 3.16Å; R87-L122 HydrophobicContact CB-CD1 3.83Å |
| 88 | I | 98.6 | Very high | 96.8 | Very high | 88 Ų | 88 | 74.3 Ų | 74.3 | 45% | 0.451 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.1 | 172 | -62.9 | 177 | 0 | 0 | 0 | 108.4 | W102 W104 | I88-W102 HydrophobicContact CG2-CE3 3.56Å; I88-W102 HydrophobicContact CG2-CZ3 3.96Å; I88-W104 HydrophobicContact CD1-CH2 3.78Å; I88-W104 HydrophobicContact CD1-CZ2 3.78Å; I88-W104 HydrophobicContact CD1-CZ3 4.32Å; I88-W104 HydrophobicContact CG1-CD2 3.95Å; I88-W104 HydrophobicContact CG1-CE3 3.76Å; I88-W104 HydrophobicContact CG1-CH2 3.55Å; I88-W104 HydrophobicContact CG1-CZ2 3.73Å; I88-W104 HydrophobicContact CG1-CZ3 3.56Å |
| 89 | V | 98.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 75.9 Ų | 75.9 | 6% | 0.061 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.8 | 173.8 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | V80 W102 F103 L105 Y120 | V80-V89 HydrophobicContact CG1-CG2 4.2Å; V80-V89 HydrophobicContact CG2-CG2 4.13Å; V89-W102 WeakPolarHBondContact O-CA 3.23Å; V89-F103 HydrophobicContact CB-CE1 4.12Å; V89-F103 HydrophobicContact CB-CE2 4.04Å; V89-F103 HydrophobicContact CB-CZ 3.83Å; V89-F103 HydrophobicContact CG1-CE1 3.85Å; V89-F103 HydrophobicContact CG1-CE2 4.29Å; V89-F103 HydrophobicContact CG1-CZ 3.6Å; V89-F103 PolarHBondContact N-O 3.42Å; V89-F103 PolarHBondContact O-N 3.16Å; V89-F103 VanDerWaalsContact O-N 3.09Å; V89-L105 HydrophobicContact CG2-CB 3.65Å; V89-L105 HydrophobicContact CG2-CD2 3.89Å; V89-L105 HydrophobicContact CG2-CG 4.41Å; V89-Y120 HydrophobicContact CG1-CD1 3.78Å; V89-Y120 HydrophobicContact CG1-CE1 3.66Å; V89-Y120 HydrophobicContact CG1-CG 4.28Å |
| 90 | G | 98.2 | Very high | 96.8 | Very high | 34 Ų | 34 | 73.7 Ų | 73.7 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I101 W102 | G90-I101 WeakPolarHBondContact CA-O 3.39Å; G90-W102 VanDerWaalsContact CA-CE3 3.46Å |
| 91 | C | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.014 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.1 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | I101 F103 C113 Y120 | C91-I101 HydrophobicContact CB-CB 4.39Å; C91-I101 PolarHBondContact N-O 3.17Å; C91-I101 PolarHBondContact O-N 2.54Å; C91-F103 HydrophobicContact CB-CE1 4.21Å; C91-C113 HydrophobicContact CB-CB 4.23Å; C91-Y120 PolarHBondContact SG-OH 3.14Å |
| 92 | I | 96.9 | Very high | 97 | Very high | 102 Ų | 102 | 80.2 Ų | 80.2 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | trans | -93.4 | 104.2 | 164.9 | -61.7 | 170.6 | 0 | 0 | 0 | 105.6 | E94 N97 V100 | I92-E94 VanDerWaalsContact C-N 3.31Å; I92-E94 WeakPolarHBondContact CG2-O 3.22Å; I92-E94 PolarHBondContact O-N 3.27Å; I92-N97 HydrophobicContact CG2-CB 4.22Å; I92-V100 HydrophobicContact CG1-CG2 4.08Å | ||
| 93 | C | 95.7 | Very high | 97.1 | Very high | 29 Ų | 29 | 81.2 Ų | 81.2 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | trans | -69.4 | -28.1 | -166.7 | -65.3 | 0 | 0 | 0 | 0 | 114.3 | C116 | C93-C116 HydrophobicContact CB-CB 3.84Å; C93-C116 VanDerWaalsContact SG-SG 3.64Å | ||
| 94 | E | 94 | Very high | 97.2 | Very high | 134 Ų | 134 | 82.7 Ų | 82.7 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -146.3 | 151.1 | -179.9 | -52.8 | 168.7 | 166.4 | 0 | 0 | 106 | I92 D96 N97 | I92-E94 VanDerWaalsContact C-N 3.31Å; I92-E94 WeakPolarHBondContact CG2-O 3.22Å; I92-E94 PolarHBondContact O-N 3.27Å; E94-D96 VanDerWaalsContact C-N 3.29Å; E94-D96 PolarHBondContact O-N 3Å; E94-N97 WeakPolarHBondContact CB-ND2 3.37Å; E94-N97 WeakPolarHBondContact CG-ND2 3.37Å; E94-N97 PolarHBondContact N-ND2 2.88Å; E94-N97 WeakPolarHBondContact O-CB 3.43Å; E94-N97 PolarHBondContact O-N 2.97Å |
| 95 | E | 92.7 | Very high | 97.3 | Very high | 185 Ų | 185 | 79 Ų | 79 | 86% | 0.864 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -43.5 | -169.4 | -171.4 | 171.5 | 179 | 0 | 0 | 113.7 | N97 | E95-N97 PolarHBondContact O-N 3.14Š|
| 96 | D | 95.5 | Very high | 97.4 | Very high | 150 Ų | 150 | 78.5 Ų | 78.5 | 80% | 0.802 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.6 | -176.1 | -63.5 | -38.6 | 0 | 0 | 0 | 114.1 | E94 T98 | E94-D96 VanDerWaalsContact C-N 3.29Å; E94-D96 PolarHBondContact O-N 3Å; D96-T98 PolarHBondContact O-N 3.44Å |
| 97 | N | 96.6 | Very high | 97.4 | Very high | 33 Ų | 33 | 80.5 Ų | 80.5 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | trans | -64.7 | 125.9 | 178.5 | -92.6 | -61.9 | 0 | 0 | 0 | 111.1 | I92 E94 E95 S99 R115 | I92-N97 HydrophobicContact CG2-CB 4.22Å; E94-N97 WeakPolarHBondContact CB-ND2 3.37Å; E94-N97 WeakPolarHBondContact CG-ND2 3.37Å; E94-N97 PolarHBondContact N-ND2 2.88Å; E94-N97 WeakPolarHBondContact O-CB 3.43Å; E94-N97 PolarHBondContact O-N 2.97Å; E95-N97 PolarHBondContact O-N 3.14Å; N97-S99 VanDerWaalsContact C-N 3.3Å; N97-S99 PolarHBondContact O-N 3.32Å; N97-R115 PolarHBondContact OD1-NH1 2.85Å; N97-R115 PolarHBondContact OD1-NH2 2.96Å; N97-R115 VanDerWaalsContact OD1-NH2 3.14Å | ||
| 98 | T | 96.8 | Very high | 97.3 | Very high | 150 Ų | 150 | 78.5 Ų | 78.5 | 92% | 0.92 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -82.9 | -8 | 176.5 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | D96 | D96-T98 PolarHBondContact O-N 3.44Š|
| 99 | S | 97 | Very high | 97.2 | Very high | 56 Ų | 56 | 82.7 Ų | 82.7 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -116.8 | 132.5 | -179.3 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | N97 | N97-S99 VanDerWaalsContact C-N 3.3Å; N97-S99 PolarHBondContact O-N 3.32Å |
| 100 | V | 98.3 | Very high | 97.1 | Very high | 57 Ų | 57 | 84 Ų | 84 | 35% | 0.345 | 44% | 0.439 | S | S | . | . | trans | -96.4 | 131.3 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | I92 W102 | I92-V100 HydrophobicContact CG1-CG2 4.08Å; V100-W102 HydrophobicContact CB-CZ2 4.09Å; V100-W102 HydrophobicContact CG1-CD2 3.96Å; V100-W102 VanDerWaalsContact CG1-CE2 3.48Å; V100-W102 HydrophobicContact CG1-CE3 4.48Å; V100-W102 HydrophobicContact CG1-CG 4.45Å; V100-W102 HydrophobicContact CG1-CH2 4.21Å; V100-W102 HydrophobicContact CG1-CZ2 3.63Å | ||
| 101 | I | 98.4 | Very high | 97.2 | Very high | 37 Ų | 37 | 85.5 Ų | 85.5 | 19% | 0.19 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115.2 | 175.7 | -53.4 | -55.9 | 0 | 0 | 0 | 109 | G90 C91 P114 R115 | G90-I101 WeakPolarHBondContact CA-O 3.39Å; C91-I101 HydrophobicContact CB-CB 4.39Å; C91-I101 PolarHBondContact N-O 3.17Å; C91-I101 PolarHBondContact O-N 2.54Å; I101-P114 HydrophobicContact CG2-CG 3.61Å; I101-R115 HydrophobicContact CD1-CB 4.33Å; I101-R115 HydrophobicContact CG1-CB 3.93Å; I101-R115 HydrophobicContact CG1-CG 4.5Å; I101-R115 HydrophobicContact CG2-CB 4.45Å |
| 102 | W | 98.7 | Very high | 97.2 | Very high | 169 Ų | 169 | 92.7 Ų | 92.7 | 64% | 0.64 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135 | -176.1 | -62.8 | 100.6 | 0 | 0 | 0 | 112 | I88 V89 G90 V100 | I88-W102 HydrophobicContact CG2-CE3 3.56Å; I88-W102 HydrophobicContact CG2-CZ3 3.96Å; V89-W102 WeakPolarHBondContact O-CA 3.23Å; G90-W102 VanDerWaalsContact CA-CE3 3.46Å; V100-W102 HydrophobicContact CB-CZ2 4.09Å; V100-W102 HydrophobicContact CG1-CD2 3.96Å; V100-W102 VanDerWaalsContact CG1-CE2 3.48Å; V100-W102 HydrophobicContact CG1-CE3 4.48Å; V100-W102 HydrophobicContact CG1-CG 4.45Å; V100-W102 HydrophobicContact CG1-CH2 4.21Å; V100-W102 HydrophobicContact CG1-CZ2 3.63Å |
| 103 | F | 98.7 | Very high | 97.3 | Very high | 31 Ų | 31 | 88 Ų | 88 | 14% | 0.136 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 159.8 | 173.4 | 59.3 | -81.7 | 0 | 0 | 0 | 111.7 | V89 C91 C113 Y120 | V89-F103 HydrophobicContact CB-CE1 4.12Å; V89-F103 HydrophobicContact CB-CE2 4.04Å; V89-F103 HydrophobicContact CB-CZ 3.83Å; V89-F103 HydrophobicContact CG1-CE1 3.85Å; V89-F103 HydrophobicContact CG1-CE2 4.29Å; V89-F103 HydrophobicContact CG1-CZ 3.6Å; V89-F103 PolarHBondContact N-O 3.42Å; V89-F103 PolarHBondContact O-N 3.16Å; V89-F103 VanDerWaalsContact O-N 3.09Å; C91-F103 HydrophobicContact CB-CE1 4.21Å; F103-C113 HydrophobicContact CE1-CB 4.1Å; F103-C113 HydrophobicContact CZ-CB 4.4Å; F103-Y120 HydrophobicContact CE2-CD2 4.45Å; F103-Y120 AromaticContact CZ-CD2 3.71Å; F103-Y120 HydrophobicContact CZ-CD2 3.71Å; F103-Y120 AromaticContact CZ-CE2 3.97Å; F103-Y120 HydrophobicContact CZ-CE2 3.97Å; F103-Y120 HydrophobicContact CZ-CG 4.21Å |
| 104 | W | 98.6 | Very high | 97.4 | Very high | 129 Ų | 129 | 91.4 Ų | 91.4 | 49% | 0.489 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.3 | 170.3 | -73.7 | 100.7 | 0 | 0 | 0 | 110.1 | K86 I88 | K86-W104 HydrophobicContact CB-CE3 4.12Å; K86-W104 HydrophobicContact CD-CD2 4.39Å; K86-W104 HydrophobicContact CD-CE3 3.81Å; K86-W104 HydrophobicContact CD-CZ3 4.05Å; K86-W104 HydrophobicContact CG-CE3 3.88Å; K86-W104 HydrophobicContact CG-CZ3 3.94Å; I88-W104 HydrophobicContact CD1-CH2 3.78Å; I88-W104 HydrophobicContact CD1-CZ2 3.78Å; I88-W104 HydrophobicContact CD1-CZ3 4.32Å; I88-W104 HydrophobicContact CG1-CD2 3.95Å; I88-W104 HydrophobicContact CG1-CE3 3.76Å; I88-W104 HydrophobicContact CG1-CH2 3.55Å; I88-W104 HydrophobicContact CG1-CZ2 3.73Å; I88-W104 HydrophobicContact CG1-CZ3 3.56Å |
| 105 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.4 | 166.2 | -178.9 | 69.8 | 0 | 0 | 0 | 108.3 | V80 K86 R87 V89 Q111 Y120 L122 | V80-L105 HydrophobicContact CB-CD2 3.5Å; V80-L105 HydrophobicContact CG1-CD2 3.92Å; V80-L105 HydrophobicContact CG2-CD2 3.61Å; K86-L105 CarbonylContact C-O 3.57Å; K86-L105 WeakPolarHBondContact CA-O 3.5Å; K86-L105 VanDerWaalsContact CB-O 3.3Å; K86-L105 WeakPolarHBondContact CB-O 3.45Å; R87-L105 PolarHBondContact N-O 2.99Å; R87-L105 WeakPolarHBondContact O-CB 3.25Å; R87-L105 PolarHBondContact O-N 3.16Å; V89-L105 HydrophobicContact CG2-CB 3.65Å; V89-L105 HydrophobicContact CG2-CD2 3.89Å; V89-L105 HydrophobicContact CG2-CG 4.41Å; L105-Q111 HydrophobicContact CD1-CB 3.81Å; L105-Q111 HydrophobicContact CD1-CG 4.2Å; L105-Y120 WeakPolarHBondContact CD1-O 3.26Å; L105-L122 HydrophobicContact CB-CD1 4.42Å; L105-L122 HydrophobicContact CD2-CB 4.13Å; L105-L122 HydrophobicContact CD2-CD1 3.78Å; L105-L122 HydrophobicContact CG-CB 4.18Å; L105-L122 HydrophobicContact CG-CD1 4Å |
| 106 | H | 98.6 | Very high | 97.8 | Very high | 84 Ų | 84 | 85.1 Ų | 85.1 | 39% | 0.389 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 158.9 | 179.6 | -67.1 | -96.6 | 0 | 0 | 0 | 110.7 | N85 Q111 | N85-H106 CarbonylContact O-C 3.42Å; N85-H106 WeakPolarHBondContact O-CA 3.42Å; H106-Q111 PolarHBondContact O-OE1 3.1Å |
| 107 | E | 97.9 | Very high | 97.9 | Very high | 128 Ų | 128 | 78.6 Ų | 78.6 | 60% | 0.598 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -63 | 141.6 | 170.6 | -173.9 | 175.3 | -167.5 | 0 | 0 | 111 | N85 L122 | N85-E107 HydrophobicContact CB-CB 4.18Å; N85-E107 PolarHBondContact O-N 3.05Å; E107-L122 HydrophobicContact CB-CD2 3.92Å |
| 108 | G | 96.6 | Very high | 98 | Very high | 41 Ų | 41 | 78.2 Ų | 78.2 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 128.3 | -136.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 109 | E | 96.8 | Very high | 98 | Very high | 176 Ų | 176 | 72.6 Ų | 72.6 | 82% | 0.822 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -66.8 | 157.3 | 178.3 | -63.4 | -168.3 | 165.8 | 0 | 0 | 112.1 | Q111 | E109-Q111 PolarHBondContact O-N 2.93Š|
| 110 | A | 97.6 | Very high | 98.1 | Very high | 38 Ų | 38 | 71.2 Ų | 71.2 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 129.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | P77 H119 Y120 R121 | P77-A110 HydrophobicContact CB-CB 4.37Å; A110-H119 HydrophobicContact CB-CB 4.49Å; A110-Y120 CarbonylContact C-O 3.23Å; A110-Y120 VanDerWaalsContact CA-O 3.22Å; A110-Y120 WeakPolarHBondContact CA-O 3.41Å; A110-R121 HydrophobicContact CB-CB 4.3Å |
| 111 | Q | 98.6 | Very high | 98.1 | Very high | 64 Ų | 64 | 74.9 Ų | 74.9 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 163.2 | 175.3 | -64.9 | 173.9 | -104.3 | 0 | 0 | 110.3 | L105 H106 E109 H119 Y120 | L105-Q111 HydrophobicContact CD1-CB 3.81Å; L105-Q111 HydrophobicContact CD1-CG 4.2Å; H106-Q111 PolarHBondContact O-OE1 3.1Å; E109-Q111 PolarHBondContact O-N 2.93Å; Q111-H119 CarbonylContact O-C 3.58Å; Q111-H119 WeakPolarHBondContact O-CA 3.44Å; Q111-Y120 PolarHBondContact N-O 3.44Å; Q111-Y120 PolarHBondContact O-N 3.35Å |
| 112 | R | 98.6 | Very high | 98.1 | Very high | 153 Ų | 153 | 73.8 Ų | 73.8 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.4 | -174.8 | -63.6 | 176.1 | 68.6 | -160.9 | 1.6 | 111.4 | G117 A118 | R112-G117 PolarHBondContact NE-O 2.87Å; R112-A118 CarbonylContact C-O 3.49Å; R112-A118 VanDerWaalsContact CA-O 3.29Å; R112-A118 WeakPolarHBondContact CA-O 3.31Å |
| 113 | C | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | trans | -57.7 | 130.9 | 166.5 | 172.5 | 0 | 0 | 0 | 0 | 109.5 | C91 F103 R115 G117 A118 Y120 | C91-C113 HydrophobicContact CB-CB 4.23Å; F103-C113 HydrophobicContact CE1-CB 4.1Å; F103-C113 HydrophobicContact CZ-CB 4.4Å; C113-R115 PolarHBondContact O-N 2.93Å; C113-R115 VanDerWaalsContact O-N 3.13Å; C113-G117 VanDerWaalsContact O-CA 3.29Å; C113-G117 WeakPolarHBondContact O-CA 3.49Å; C113-G117 PolarHBondContact O-N 2.88Å; C113-A118 PolarHBondContact N-O 2.86Å; C113-Y120 HydrophobicContact CB-CE2 4.13Å | ||
| 114 | P | 98.4 | Very high | 97.9 | Very high | 101 Ų | 101 | 71.2 Ų | 71.2 | 66% | 0.656 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.2 | -176.1 | 27.5 | -34.6 | 0 | 0 | 0 | 113.9 | I101 | I101-P114 HydrophobicContact CG2-CG 3.61Š|
| 115 | R | 97.9 | Very high | 97.6 | Very high | 126 Ų | 126 | 67.8 Ų | 67.8 | 48% | 0.475 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -65.2 | 177.5 | -175.7 | 174.9 | 175.7 | -151.9 | -6.3 | 112.8 | N97 I101 C113 | N97-R115 PolarHBondContact OD1-NH1 2.85Å; N97-R115 PolarHBondContact OD1-NH2 2.96Å; N97-R115 VanDerWaalsContact OD1-NH2 3.14Å; I101-R115 HydrophobicContact CD1-CB 4.33Å; I101-R115 HydrophobicContact CG1-CB 3.93Å; I101-R115 HydrophobicContact CG1-CG 4.5Å; I101-R115 HydrophobicContact CG2-CB 4.45Å; C113-R115 PolarHBondContact O-N 2.93Å; C113-R115 VanDerWaalsContact O-N 3.13Å |
| 116 | C | 97.3 | Very high | 97 | Very high | 62 Ų | 62 | 78.9 Ų | 78.9 | 42% | 0.419 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -11.9 | -174.8 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | C93 A118 | C93-C116 HydrophobicContact CB-CB 3.84Å; C93-C116 VanDerWaalsContact SG-SG 3.64Å; C116-A118 VanDerWaalsContact C-N 3.28Å; C116-A118 PolarHBondContact O-N 2.97Å |
| 117 | G | 97.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 77.2 Ų | 77.2 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | trans | 76.2 | 6.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R112 C113 | R112-G117 PolarHBondContact NE-O 2.87Å; C113-G117 VanDerWaalsContact O-CA 3.29Å; C113-G117 WeakPolarHBondContact O-CA 3.49Å; C113-G117 PolarHBondContact O-N 2.88Å | ||
| 118 | A | 97.7 | Very high | 94.9 | Very high | 26 Ų | 26 | 75.6 Ų | 75.6 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | trans | -57.9 | 140.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R112 C113 C116 Y120 | R112-A118 CarbonylContact C-O 3.49Å; R112-A118 VanDerWaalsContact CA-O 3.29Å; R112-A118 WeakPolarHBondContact CA-O 3.31Å; C113-A118 PolarHBondContact N-O 2.86Å; C116-A118 VanDerWaalsContact C-N 3.28Å; C116-A118 PolarHBondContact O-N 2.97Å; A118-Y120 HydrophobicContact CB-CE2 4.07Å; A118-Y120 WeakPolarHBondContact O-CD2 3.32Å | ||
| 119 | H | 98.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 83.3 Ų | 83.3 | 15% | 0.148 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 142.5 | -176.4 | -63.8 | 75 | 0 | 0 | 0 | 111.8 | G72 T73 P77 N78 A110 Q111 | G72-H119 PolarHBondContact O-N 2.93Å; G72-H119 PolarHBondContact O-ND1 2.78Å; G72-H119 VanDerWaalsContact O-ND1 3.17Å; T73-H119 WeakPolarHBondContact O-CB 3.48Å; P77-H119 HydrophobicContact CB-CB 3.75Å; N78-H119 PolarHBondContact N-O 3.41Å; N78-H119 PolarHBondContact ND2-O 2.87Å; A110-H119 HydrophobicContact CB-CB 4.49Å; Q111-H119 CarbonylContact O-C 3.58Å; Q111-H119 WeakPolarHBondContact O-CA 3.44Å |
| 120 | Y | 98.5 | Very high | 92.9 | Very high | 27 Ų | 27 | 78.7 Ų | 78.7 | 11% | 0.106 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.6 | 176.3 | -66 | -95.4 | 0 | 0 | 0 | 109.1 | N78 V80 V89 C91 F103 L105 A110 Q111 C113 A118 | N78-Y120 HydrophobicContact CB-CD1 3.44Å; N78-Y120 VanDerWaalsContact CB-CD1 3.44Å; N78-Y120 HydrophobicContact CB-CE1 3.63Å; N78-Y120 HydrophobicContact CB-CG 4.14Å; N78-Y120 CarbonylContact O-C 3.52Å; N78-Y120 VanDerWaalsContact O-CA 3.31Å; N78-Y120 WeakPolarHBondContact O-CA 3.34Å; V80-Y120 HydrophobicContact CG2-CD1 3.88Å; V89-Y120 HydrophobicContact CG1-CD1 3.78Å; V89-Y120 HydrophobicContact CG1-CE1 3.66Å; V89-Y120 HydrophobicContact CG1-CG 4.28Å; C91-Y120 PolarHBondContact SG-OH 3.14Å; F103-Y120 HydrophobicContact CE2-CD2 4.45Å; F103-Y120 AromaticContact CZ-CD2 3.71Å; F103-Y120 HydrophobicContact CZ-CD2 3.71Å; F103-Y120 AromaticContact CZ-CE2 3.97Å; F103-Y120 HydrophobicContact CZ-CE2 3.97Å; F103-Y120 HydrophobicContact CZ-CG 4.21Å; L105-Y120 WeakPolarHBondContact CD1-O 3.26Å; A110-Y120 CarbonylContact C-O 3.23Å; A110-Y120 VanDerWaalsContact CA-O 3.22Å; A110-Y120 WeakPolarHBondContact CA-O 3.41Å; Q111-Y120 PolarHBondContact N-O 3.44Å; Q111-Y120 PolarHBondContact O-N 3.35Å; C113-Y120 HydrophobicContact CB-CE2 4.13Å; A118-Y120 HydrophobicContact CB-CE2 4.07Å; A118-Y120 WeakPolarHBondContact O-CD2 3.32Å |
| 121 | R | 98.1 | Very high | 92.7 | Very high | 133 Ų | 133 | 80.8 Ų | 80.8 | 50% | 0.502 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.1 | 177.1 | -175.7 | 174.5 | -176.5 | 172.2 | 0.5 | 109.9 | P77 N78 L79 V80 A110 V123 | P77-R121 HydrophobicContact CB-CB 4.27Å; P77-R121 HydrophobicContact CG-CB 4.04Å; N78-R121 PolarHBondContact O-N 3.03Å; L79-R121 HydrophobicContact CD2-CB 4.23Å; V80-R121 PolarHBondContact N-O 3.22Å; A110-R121 HydrophobicContact CB-CB 4.3Å; R121-V123 PolarHBondContact O-N 2.78Å |
| 122 | L | 98.2 | Very high | 92.3 | Very high | 14 Ų | 14 | 81.8 Ų | 81.8 | 7% | 0.073 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 130.4 | 174.7 | -155.6 | 79.9 | 0 | 0 | 0 | 109.1 | V80 R87 L105 E107 | V80-L122 HydrophobicContact CB-CD1 4.48Å; V80-L122 HydrophobicContact CG1-CD1 4.22Å; V80-L122 WeakPolarHBondContact O-CA 3.47Å; R87-L122 HydrophobicContact CB-CD1 3.83Å; L105-L122 HydrophobicContact CB-CD1 4.42Å; L105-L122 HydrophobicContact CD2-CB 4.13Å; L105-L122 HydrophobicContact CD2-CD1 3.78Å; L105-L122 HydrophobicContact CG-CB 4.18Å; L105-L122 HydrophobicContact CG-CD1 4Å; E107-L122 HydrophobicContact CB-CD2 3.92Å |
| 123 | V | 97 | Very high | 92 | Very high | 39 Ų | 39 | 77.6 Ų | 77.6 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.7 | 173.8 | -61.9 | 0 | 0 | 0 | 0 | 110.2 | L79 V80 P81 S82 R121 H125 | L79-V123 HydrophobicContact CB-CG1 4.2Å; L79-V123 HydrophobicContact CB-CG2 4.32Å; L79-V123 HydrophobicContact CD2-CG1 3.92Å; L79-V123 HydrophobicContact CG-CG1 4.46Å; V80-V123 PolarHBondContact O-N 3.47Å; P81-V123 CarbonylContact C-O 3.56Å; P81-V123 WeakPolarHBondContact CA-O 3Å; P81-V123 HydrophobicContact CB-CG2 4.26Å; P81-V123 HydrophobicContact CG-CG2 4.15Å; S82-V123 PolarHBondContact N-O 3.37Å; R121-V123 PolarHBondContact O-N 2.78Å; V123-H125 PolarHBondContact O-N 3.09Å |
| 124 | P | 95.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 82.3 Ų | 82.3 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 129.4 | 176.9 | -24.2 | 33.7 | 0 | 0 | 0 | 111.4 | ||
| 125 | H | 93.3 | Very high | 91.1 | Very high | 56 Ų | 56 | 81 Ų | 81 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | trans | -114.5 | 123.8 | 172.8 | -172.3 | 57.7 | 0 | 0 | 0 | 109.2 | P81 S82 V83 V123 L127 | P81-H125 HydrophobicContact CB-CB 3.8Å; S82-H125 PolarHBondContact O-N 3.3Å; V83-H125 HydrophobicContact CG1-CB 4.44Å; V123-H125 PolarHBondContact O-N 3.09Å; H125-L127 WeakPolarHBondContact NE2-CD2 3.35Å | ||
| 126 | R | 85.4 | Confident | 90.6 | Very high | 234 Ų | 234 | 77.8 Ų | 77.8 | 88% | 0.883 | 40% | 0.403 | S | S | * | . | trans | -103.7 | 113.8 | 174.2 | -65.9 | -173.3 | -177.5 | 179.8 | 1.5 | 108.6 | ||||
| 127 | L | 83.1 | Confident | 90.1 | Very high | 49 Ų | 49 | 79 Ų | 79 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | trans | -79.8 | 124.4 | 165.7 | -66.8 | 173.5 | 0 | 0 | 0 | 107.8 | P61 Y62 V83 H125 H129 | P61-L127 HydrophobicContact CB-CD2 3.49Å; P61-L127 VanDerWaalsContact CB-CD2 3.49Å; P61-L127 WeakPolarHBondContact O-CD2 3.46Å; Y62-L127 HydrophobicContact CE1-CD1 4.48Å; V83-L127 HydrophobicContact CG1-CD1 3.81Å; V83-L127 HydrophobicContact CG1-CG 3.93Å; H125-L127 WeakPolarHBondContact NE2-CD2 3.35Å; L127-H129 PolarHBondContact O-N 3.06Å | ||
| 128 | A | 68.8 | Low | 89.5 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 78% | 0.777 | 43% | 0.425 | S | S | * | . | trans | -82.4 | 109.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 129 | H | 59.4 | Low | 88.7 | Confident | 203 Ų | 203 | 89.9 Ų | 89.9 | 94% | 0.94 | 44% | 0.444 | S | S | * | . | trans | -94.5 | 0 | 164 | -53.6 | -59.4 | 0 | 0 | 0 | 108.4 | L127 | L127-H129 PolarHBondContact O-N 3.06Š|
Retrieved 129 of 129 residues in 309.8 ms
(Link to these results)