| 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 | 39.2 | Very low | 42 | Very low | 241 Ų | 241 | 147.2 Ų | 147.2 | 100% | 1.187 | 84% | 0.839 | S | S | * | * | 0 | 119.5 | 0 | -43.3 | -175.1 | -166.6 | 0 | 0 | 106.5 | |||||
| 2 | M | 37 | Very low | 42.5 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 96% | 0.956 | 84% | 0.836 | S | S | * | * | trans | 63.1 | 113.8 | 168.7 | -64.3 | 151.6 | 147.2 | 0 | 0 | 120.1 | ||||
| 3 | S | 49.2 | Very low | 42.7 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -115.2 | 150.7 | 158.4 | -65 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | P | 59.1 | Low | 42.4 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | trans | -102.7 | 167.8 | 176.2 | 38.7 | -30.3 | 0 | 0 | 0 | 112.6 | ||||
| 5 | G | 41.2 | Very low | 42.8 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | 116.7 | 135.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 6 | E | 41.9 | Very low | 42.6 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -76.1 | 173.6 | -162.9 | -59.8 | 172.7 | 92.6 | 0 | 0 | 117.1 | ||||
| 7 | T | 38.4 | Very low | 43 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.724 | 82% | 0.823 | S | S | * | * | 126.4 | 105.6 | 128.4 | -37.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 8 | V | 42.5 | Very low | 43 | Very low | 112 Ų | 112 | 144 Ų | 144 | 68% | 0.679 | 82% | 0.823 | S | S | * | * | 97.6 | 132 | 120.8 | 133.2 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 9 | M | 38.4 | Very low | 43.1 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 70% | 0.7 | 82% | 0.824 | S | S | * | * | trans | 84 | 107.6 | 150.5 | -58 | -93.2 | 160.7 | 0 | 0 | 118.8 | ||||
| 10 | Q | 36.6 | Very low | 43.4 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | -147.2 | 113.4 | 112.4 | -112.2 | 164.3 | 29.9 | 0 | 0 | 111.8 | |||||
| 11 | S | 38.3 | Very low | 43.9 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | trans | -62.6 | 131.3 | 166.2 | -45.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 12 | S | 48.6 | Very low | 45.1 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -129.6 | 91.4 | 152 | -69.3 | 0 | 0 | 0 | 0 | 106.9 | N14 | S12-N14 PolarHBondContact O-N 3.41Š| ||
| 13 | K | 44.9 | Very low | 46.7 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -47.2 | 126.2 | 156.1 | -86.1 | 172.3 | 166.2 | 176.2 | 0 | 108 | ||||
| 14 | N | 38.5 | Very low | 47.8 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | -142 | 95.7 | 147.3 | -80.4 | -17.7 | 0 | 0 | 0 | 105.8 | S12 | S12-N14 PolarHBondContact O-N 3.41Š| ||
| 15 | E | 48.1 | Very low | 48.6 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | trans | -91 | 99.7 | 170 | -45.8 | -151.8 | 140.1 | 0 | 0 | 106.1 | ||||
| 16 | D | 40 | Very low | 50.3 | Low | 152 Ų | 152 | 128.5 Ų | 128.5 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | trans | -137 | 97 | 165.9 | -78 | -61.5 | 0 | 0 | 0 | 107.6 | V18 | D16-V18 PolarHBondContact O-N 3.33Š| ||
| 17 | G | 49.3 | Very low | 51.9 | Low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | trans | -62 | 121.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 18 | V | 43.3 | Very low | 53.2 | Low | 135 Ų | 135 | 121.5 Ų | 121.5 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -130.1 | 91.3 | 139.8 | 178.1 | 0 | 0 | 0 | 0 | 105.1 | D16 G20 | D16-V18 PolarHBondContact O-N 3.33Å; V18-G20 PolarHBondContact O-N 2.76Å | ||
| 19 | L | 45 | Very low | 53.7 | Low | 162 Ų | 162 | 125.4 Ų | 125.4 | 85% | 0.848 | 67% | 0.672 | S | S | * | * | trans | -50.3 | 96.4 | 157.3 | -97.9 | 133.6 | 0 | 0 | 0 | 106.1 | T21 | L19-T21 PolarHBondContact O-N 3.08Å; L19-T21 PolarHBondContact O-OG1 2.69Å; L19-T21 VanDerWaalsContact O-OG1 3.08Å | ||
| 20 | G | 48.8 | Very low | 54.6 | Low | 63 Ų | 63 | 122.5 Ų | 122.5 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | trans | -63.1 | 82.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | V18 R22 | V18-G20 PolarHBondContact O-N 2.76Å; G20-R22 PolarHBondContact O-N 2.83Å | ||
| 21 | T | 54.3 | Low | 56.2 | Low | 79 Ų | 79 | 114.5 Ų | 114.5 | 49% | 0.485 | 64% | 0.644 | S | S | . | * | trans | -63.6 | 95.1 | 176.8 | -15.7 | 0 | 0 | 0 | 0 | 104.7 | L19 R23 T36 | L19-T21 PolarHBondContact O-N 3.08Å; L19-T21 PolarHBondContact O-OG1 2.69Å; L19-T21 VanDerWaalsContact O-OG1 3.08Å; T21-R23 VanDerWaalsContact C-N 3.33Å; T21-R23 PolarHBondContact O-N 2.8Å; T21-T36 VanDerWaalsContact CG2-CB 3.47Å; T21-T36 HydrophobicContact CG2-CG2 3.62Å | ||
| 22 | R | 63.3 | Low | 57.5 | Low | 215 Ų | 215 | 119.3 Ų | 119.3 | 81% | 0.811 | 65% | 0.653 | S | S | * | * | trans | -58.1 | 104.2 | 175.5 | -81.2 | -176.7 | 162 | -179.9 | -4.2 | 105.8 | G20 L24 | G20-R22 PolarHBondContact O-N 2.83Å; R22-L24 WeakPolarHBondContact O-CG 3.41Å; R22-L24 PolarHBondContact O-N 3.24Å | ||
| 23 | R | 70.7 | Confident | 58.6 | Low | 186 Ų | 186 | 120.5 Ų | 120.5 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | trans | -71.8 | 109.1 | 178 | -78.7 | -173.2 | -173.8 | -154.6 | 2.3 | 107.3 | T21 V34 Y35 | T21-R23 VanDerWaalsContact C-N 3.33Å; T21-R23 PolarHBondContact O-N 2.8Å; R23-V34 HydrophobicContact CB-CG1 3.49Å; R23-V34 VanDerWaalsContact CB-CG1 3.49Å; R23-V34 HydrophobicContact CG-CG1 3.93Å; R23-Y35 CarbonylContact C-O 3.54Å; R23-Y35 WeakPolarHBondContact CA-O 3.46Å | ||
| 24 | L | 72.7 | Confident | 60 | Low | 42 Ų | 42 | 115.7 Ų | 115.7 | 22% | 0.22 | 63% | 0.625 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.2 | -177.3 | -52.9 | 166.8 | 0 | 0 | 0 | 108.8 | R22 V34 Y35 Q38 L41 | R22-L24 WeakPolarHBondContact O-CG 3.41Å; R22-L24 PolarHBondContact O-N 3.24Å; L24-V34 WeakPolarHBondContact O-CA 3.27Å; L24-Y35 PolarHBondContact N-O 3.17Å; L24-Y35 PolarHBondContact O-N 3.28Å; L24-Q38 HydrophobicContact CD1-CB 3.97Å; L24-L41 HydrophobicContact CB-CB 4.46Å; L24-L41 HydrophobicContact CB-CD2 3.44Å; L24-L41 VanDerWaalsContact CB-CD2 3.44Å; L24-L41 HydrophobicContact CB-CG 4.5Å; L24-L41 HydrophobicContact CD1-CD2 4.31Å; L24-L41 HydrophobicContact CG-CD2 4.45Å |
| 25 | L | 75.6 | Confident | 61.9 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 61% | 0.613 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 147 | 179.3 | -65.2 | 95.1 | 0 | 0 | 0 | 110.4 | P27 V34 | L25-P27 WeakPolarHBondContact O-CD 3.46Å; L25-V34 HydrophobicContact CD2-CG2 4.26Å; L25-V34 HydrophobicContact CG-CG2 4.12Å |
| 26 | C | 77.7 | Confident | 63.4 | Low | 12 Ų | 12 | 107.3 Ų | 107.3 | 8% | 0.081 | 59% | 0.585 | C | S | . | * | P | Polyproline II helix | trans | -63.4 | 125.4 | 171.7 | -171.2 | 0 | 0 | 0 | 0 | 111.1 | I28 C31 R33 L41 H44 | C26-I28 PolarHBondContact O-N 3.37Å; C26-I28 VanDerWaalsContact O-N 3.17Å; C26-C31 HydrophobicContact CB-CB 3.93Å; C26-R33 PolarHBondContact N-O 3.16Å; C26-R33 VanDerWaalsContact N-O 3.16Å; C26-L41 HydrophobicContact CB-CD1 4.31Å; C26-H44 PolarHBondContact SG-NE2 3.33Å |
| 27 | P | 74.3 | Confident | 65.3 | Low | 100 Ų | 100 | 105.7 Ų | 105.7 | 65% | 0.649 | 57% | 0.573 | S | S | * | * | trans | -69.9 | -4.8 | 178.1 | -18.4 | 31.6 | 0 | 0 | 0 | 114.7 | L25 I45 | L25-P27 WeakPolarHBondContact O-CD 3.46Å; P27-I45 HydrophobicContact CG-CD1 4.25Å | ||
| 28 | I | 67.2 | Low | 66.7 | Low | 59 Ų | 59 | 107.4 Ų | 107.4 | 30% | 0.303 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -90.5 | 124.4 | -167.8 | -62 | 173.6 | 0 | 0 | 0 | 110.1 | C26 G30 C31 I45 H48 | C26-I28 PolarHBondContact O-N 3.37Å; C26-I28 VanDerWaalsContact O-N 3.17Å; I28-G30 PolarHBondContact O-N 2.77Å; I28-C31 PolarHBondContact O-N 2.86Å; I28-I45 HydrophobicContact CD1-CG2 4.41Å; I28-H48 HydrophobicContact CD1-CB 3.26Å; I28-H48 VanDerWaalsContact CD1-CD2 3.41Å; I28-H48 WeakPolarHBondContact CD1-CD2 3.43Å |
| 29 | H | 51.7 | Low | 68.4 | Low | 195 Ų | 195 | 103.8 Ų | 103.8 | 90% | 0.903 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 113.3 | -176.7 | -70.9 | -71.5 | 0 | 0 | 0 | 111.9 | ||
| 30 | G | 58.8 | Low | 69.9 | Low | 81 Ų | 81 | 97.5 Ų | 97.5 | 84% | 0.835 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.3 | -9.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | I28 | I28-G30 PolarHBondContact O-N 2.77Š|
| 31 | C | 68.4 | Low | 71.2 | Confident | 28 Ų | 28 | 95 Ų | 95 | 19% | 0.189 | 48% | 0.484 | C | S | . | . | trans | -95 | 118.6 | 173.4 | -163.1 | 0 | 0 | 0 | 0 | 111.4 | C26 I28 H44 H48 | C26-C31 HydrophobicContact CB-CB 3.93Å; I28-C31 PolarHBondContact O-N 2.86Å; C31-H44 PolarHBondContact SG-NE2 2.83Å; C31-H48 PolarHBondContact SG-NE2 3.38Å | ||
| 32 | K | 66.3 | Low | 72.2 | Confident | 193 Ų | 193 | 96.3 Ų | 96.3 | 84% | 0.839 | 49% | 0.485 | S | S | * | . | trans | -100.3 | 19.9 | 179.9 | -59.1 | -176.4 | -177.8 | -177 | 0 | 113.3 | ||||
| 33 | R | 70.8 | Confident | 72.6 | Confident | 142 Ų | 142 | 89.1 Ų | 89.1 | 54% | 0.536 | 47% | 0.467 | S | S | . | . | trans | -76.9 | 139.6 | -178.5 | -67.9 | -169.4 | -176.6 | 169.7 | -3.4 | 110.8 | C26 Y35 H44 | C26-R33 PolarHBondContact N-O 3.16Å; C26-R33 VanDerWaalsContact N-O 3.16Å; R33-Y35 HydrophobicContact CB-CD2 4.41Å; R33-Y35 HydrophobicContact CB-CE2 3.53Å; R33-Y35 WeakPolarHBondContact CD-OH 3.43Å; R33-H44 PolarHBondContact NH1-ND1 2.81Å | ||
| 34 | V | 74.4 | Confident | 72.9 | Confident | 71 Ų | 71 | 80.6 Ų | 80.6 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.8 | -176.3 | -175 | 0 | 0 | 0 | 0 | 107.9 | R23 L24 L25 | R23-V34 HydrophobicContact CB-CG1 3.49Å; R23-V34 VanDerWaalsContact CB-CG1 3.49Å; R23-V34 HydrophobicContact CG-CG1 3.93Å; L24-V34 WeakPolarHBondContact O-CA 3.27Å; L25-V34 HydrophobicContact CD2-CG2 4.26Å; L25-V34 HydrophobicContact CG-CG2 4.12Å |
| 35 | Y | 78.5 | Confident | 72.9 | Confident | 49 Ų | 49 | 80.3 Ų | 80.3 | 19% | 0.192 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.1 | -176.4 | -65.8 | -88.1 | 0 | 0 | 0 | 110.4 | R23 L24 R33 A40 L41 H44 | R23-Y35 CarbonylContact C-O 3.54Å; R23-Y35 WeakPolarHBondContact CA-O 3.46Å; L24-Y35 PolarHBondContact N-O 3.17Å; L24-Y35 PolarHBondContact O-N 3.28Å; R33-Y35 HydrophobicContact CB-CD2 4.41Å; R33-Y35 HydrophobicContact CB-CE2 3.53Å; R33-Y35 WeakPolarHBondContact CD-OH 3.43Å; Y35-A40 HydrophobicContact CD1-CB 3.68Å; Y35-A40 HydrophobicContact CE1-CB 4.33Å; Y35-A40 HydrophobicContact CG-CB 4.37Å; Y35-L41 HydrophobicContact CD2-CB 4.13Å; Y35-L41 HydrophobicContact CD2-CD1 3.81Å; Y35-L41 HydrophobicContact CE2-CD1 4.28Å; Y35-L41 HydrophobicContact CG-CB 4.22Å; Y35-H44 HydrophobicContact CE1-CB 4.39Å; Y35-H44 HydrophobicContact CE2-CB 3.81Å; Y35-H44 AromaticContact CE2-CD2 3.37Å; Y35-H44 WeakPolarHBondContact CE2-CD2 3.17Å; Y35-H44 AromaticContact CE2-CG 3.57Å; Y35-H44 AromaticContact CZ-CD2 3.89Å; Y35-H44 AromaticContact CZ-CG 3.58Å; Y35-H44 WeakPolarHBondContact OH-CB 3.37Å; Y35-H44 PolarHBondContact OH-ND1 3.42Å |
| 36 | T | 80.4 | Confident | 72.8 | Confident | 95 Ų | 95 | 79.5 Ų | 79.5 | 58% | 0.583 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -87.1 | -13.7 | 175.4 | 45.1 | 0 | 0 | 0 | 0 | 112.4 | T21 | T21-T36 VanDerWaalsContact CG2-CB 3.47Å; T21-T36 HydrophobicContact CG2-CG2 3.62Å |
| 37 | E | 79.6 | Confident | 72.2 | Confident | 118 Ų | 118 | 84.1 Ų | 84.1 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -130.3 | 138.4 | -173.4 | -159.2 | -177.9 | 167.3 | 0 | 0 | 110.7 | S39 A40 L41 | E37-S39 VanDerWaalsContact CG-OG 3.27Å; E37-S39 WeakPolarHBondContact CG-OG 3.39Å; E37-S39 PolarHBondContact OE1-OG 2.84Å; E37-A40 HydrophobicContact CB-CB 4.22Å; E37-A40 PolarHBondContact O-N 3.17Å; E37-L41 PolarHBondContact O-N 2.84Å |
| 38 | Q | 79.4 | Confident | 71.7 | Confident | 113 Ų | 113 | 82.9 Ų | 82.9 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | -179.1 | -175 | 73.6 | 19.6 | 0 | 0 | 111.8 | L24 A40 L41 E42 | L24-Q38 HydrophobicContact CD1-CB 3.97Å; Q38-A40 PolarHBondContact O-N 3.09Å; Q38-L41 PolarHBondContact O-N 2.97Å; Q38-E42 WeakPolarHBondContact O-CB 3.22Å; Q38-E42 PolarHBondContact O-N 3.5Å |
| 39 | S | 79.1 | Confident | 71.3 | Confident | 60 Ų | 60 | 85.9 Ų | 85.9 | 42% | 0.42 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 178.3 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | E37 E42 S43 | E37-S39 VanDerWaalsContact CG-OG 3.27Å; E37-S39 WeakPolarHBondContact CG-OG 3.39Å; E37-S39 PolarHBondContact OE1-OG 2.84Å; S39-E42 PolarHBondContact O-N 3.18Å; S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.17Å; S39-S43 PolarHBondContact O-OG 3.24Å |
| 40 | A | 76.9 | Confident | 71.2 | Confident | 29 Ų | 29 | 79.2 Ų | 79.2 | 24% | 0.24 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.7 | -34.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y35 E37 Q38 S43 H44 | Y35-A40 HydrophobicContact CD1-CB 3.68Å; Y35-A40 HydrophobicContact CE1-CB 4.33Å; Y35-A40 HydrophobicContact CG-CB 4.37Å; E37-A40 HydrophobicContact CB-CB 4.22Å; E37-A40 PolarHBondContact O-N 3.17Å; Q38-A40 PolarHBondContact O-N 3.09Å; A40-S43 WeakPolarHBondContact CA-OG 3.49Å; A40-S43 PolarHBondContact O-OG 3.43Å; A40-S43 VanDerWaalsContact O-OG 3.09Å; A40-H44 VanDerWaalsContact O-CB 3.22Å; A40-H44 WeakPolarHBondContact O-CB 3.35Å; A40-H44 PolarHBondContact O-N 3.46Å |
| 41 | L | 74.6 | Confident | 70.7 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 171.6 | 175.9 | 60.9 | 0 | 0 | 0 | 111.5 | L24 C26 Y35 E37 Q38 H44 I45 | L24-L41 HydrophobicContact CB-CB 4.46Å; L24-L41 HydrophobicContact CB-CD2 3.44Å; L24-L41 VanDerWaalsContact CB-CD2 3.44Å; L24-L41 HydrophobicContact CB-CG 4.5Å; L24-L41 HydrophobicContact CD1-CD2 4.31Å; L24-L41 HydrophobicContact CG-CD2 4.45Å; C26-L41 HydrophobicContact CB-CD1 4.31Å; Y35-L41 HydrophobicContact CD2-CB 4.13Å; Y35-L41 HydrophobicContact CD2-CD1 3.81Å; Y35-L41 HydrophobicContact CE2-CD1 4.28Å; Y35-L41 HydrophobicContact CG-CB 4.22Å; E37-L41 PolarHBondContact O-N 2.84Å; Q38-L41 PolarHBondContact O-N 2.97Å; L41-H44 CarbonylContact O-C 3.54Å; L41-H44 WeakPolarHBondContact O-CB 3.49Å; L41-H44 PolarHBondContact O-N 2.99Å; L41-I45 HydrophobicContact CD1-CD1 3.92Å; L41-I45 HydrophobicContact CD1-CG1 4.05Å; L41-I45 HydrophobicContact CD2-CD1 4.3Å; L41-I45 HydrophobicContact CG-CD1 3.75Å; L41-I45 HydrophobicContact CG-CG1 4.32Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.41Å; L41-I45 PolarHBondContact O-N 3.23Å |
| 42 | E | 74.8 | Confident | 69.5 | Low | 108 Ų | 108 | 81.1 Ų | 81.1 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.6 | -44.2 | -177.2 | -169.5 | 163.3 | -164.5 | 0 | 0 | 111.7 | Q38 S39 H44 I45 M46 | Q38-E42 WeakPolarHBondContact O-CB 3.22Å; Q38-E42 PolarHBondContact O-N 3.5Å; S39-E42 PolarHBondContact O-N 3.18Å; E42-H44 VanDerWaalsContact C-N 3.28Å; E42-H44 PolarHBondContact O-N 3.47Å; E42-I45 PolarHBondContact O-N 3.39Å; E42-M46 WeakPolarHBondContact O-CB 3.39Å; E42-M46 WeakPolarHBondContact O-CG 3.27Å; E42-M46 PolarHBondContact O-N 2.98Å |
| 43 | S | 72.9 | Confident | 68.5 | Low | 63 Ų | 63 | 78.7 Ų | 78.7 | 44% | 0.441 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 169.2 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | S39 A40 M46 D47 | S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.17Å; S39-S43 PolarHBondContact O-OG 3.24Å; A40-S43 WeakPolarHBondContact CA-OG 3.49Å; A40-S43 PolarHBondContact O-OG 3.43Å; A40-S43 VanDerWaalsContact O-OG 3.09Å; S43-M46 WeakPolarHBondContact O-CB 3.43Å; S43-M46 PolarHBondContact O-N 3.5Å; S43-D47 PolarHBondContact O-N 3.01Å |
| 44 | H | 76.4 | Confident | 67.3 | Low | 7 Ų | 7 | 75.4 Ų | 75.4 | 3% | 0.032 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 174.5 | 172.5 | 57 | 0 | 0 | 0 | 113.6 | C26 C31 R33 Y35 A40 L41 E42 M46 D47 H48 | C26-H44 PolarHBondContact SG-NE2 3.33Å; C31-H44 PolarHBondContact SG-NE2 2.83Å; R33-H44 PolarHBondContact NH1-ND1 2.81Å; Y35-H44 HydrophobicContact CE1-CB 4.39Å; Y35-H44 HydrophobicContact CE2-CB 3.81Å; Y35-H44 AromaticContact CE2-CD2 3.37Å; Y35-H44 WeakPolarHBondContact CE2-CD2 3.17Å; Y35-H44 AromaticContact CE2-CG 3.57Å; Y35-H44 AromaticContact CZ-CD2 3.89Å; Y35-H44 AromaticContact CZ-CG 3.58Å; Y35-H44 WeakPolarHBondContact OH-CB 3.37Å; Y35-H44 PolarHBondContact OH-ND1 3.42Å; A40-H44 VanDerWaalsContact O-CB 3.22Å; A40-H44 WeakPolarHBondContact O-CB 3.35Å; A40-H44 PolarHBondContact O-N 3.46Å; L41-H44 CarbonylContact O-C 3.54Å; L41-H44 WeakPolarHBondContact O-CB 3.49Å; L41-H44 PolarHBondContact O-N 2.99Å; E42-H44 VanDerWaalsContact C-N 3.28Å; E42-H44 PolarHBondContact O-N 3.47Å; H44-M46 VanDerWaalsContact C-N 3.33Å; H44-D47 WeakPolarHBondContact O-CB 3.48Å; H44-D47 PolarHBondContact O-N 3.06Å; H44-H48 AromaticContact CD2-NE2 3.91Å; H44-H48 AromaticContact CE1-CD2 3.58Å; H44-H48 AromaticContact CE1-CE1 3.96Å; H44-H48 AromaticContact CE1-NE2 3.01Å; H44-H48 PolarHBondContact CE1-NE2 3.2Å; H44-H48 AromaticContact ND1-NE2 3.95Å; H44-H48 AromaticContact NE2-CD2 3.59Å; H44-H48 AromaticContact NE2-NE2 2.98Å; H44-H48 PolarHBondContact NE2-NE2 3.26Å; H44-H48 PolarHBondContact O-CD2 3.39Å; H44-H48 PolarHBondContact O-N 3.16Å |
| 45 | I | 73.8 | Confident | 65.9 | Low | 36 Ų | 36 | 76.5 Ų | 76.5 | 19% | 0.185 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 173.6 | -69.5 | 165.5 | 0 | 0 | 0 | 109.5 | P27 I28 L41 E42 D47 H48 E49 | P27-I45 HydrophobicContact CG-CD1 4.25Å; I28-I45 HydrophobicContact CD1-CG2 4.41Å; L41-I45 HydrophobicContact CD1-CD1 3.92Å; L41-I45 HydrophobicContact CD1-CG1 4.05Å; L41-I45 HydrophobicContact CD2-CD1 4.3Å; L41-I45 HydrophobicContact CG-CD1 3.75Å; L41-I45 HydrophobicContact CG-CG1 4.32Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.41Å; L41-I45 PolarHBondContact O-N 3.23Å; E42-I45 PolarHBondContact O-N 3.39Å; I45-D47 PolarHBondContact O-N 3.31Å; I45-H48 WeakPolarHBondContact O-CA 3.09Å; I45-H48 WeakPolarHBondContact O-CB 3.49Å; I45-H48 PolarHBondContact O-N 2.86Å; I45-E49 HydrophobicContact CG2-CG 4.27Å; I45-E49 WeakPolarHBondContact O-CG 3.21Å; I45-E49 PolarHBondContact O-N 2.87Å |
| 46 | M | 71.8 | Confident | 64.1 | Low | 100 Ų | 100 | 80.6 Ų | 80.6 | 49% | 0.493 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.8 | -30.5 | 172.8 | -68.3 | -74.4 | 154 | 0 | 0 | 112.3 | E42 S43 H44 H48 E49 S50 | E42-M46 WeakPolarHBondContact O-CB 3.39Å; E42-M46 WeakPolarHBondContact O-CG 3.27Å; E42-M46 PolarHBondContact O-N 2.98Å; S43-M46 WeakPolarHBondContact O-CB 3.43Å; S43-M46 PolarHBondContact O-N 3.5Å; H44-M46 VanDerWaalsContact C-N 3.33Å; M46-H48 VanDerWaalsContact C-N 3.34Å; M46-E49 CarbonylContact O-C 3.57Å; M46-E49 PolarHBondContact O-N 2.98Å; M46-S50 WeakPolarHBondContact O-CA 3.41Å; M46-S50 WeakPolarHBondContact O-CB 3.41Å; M46-S50 PolarHBondContact O-N 2.96Å |
| 47 | D | 65.8 | Low | 62.6 | Low | 110 Ų | 110 | 79.8 Ų | 79.8 | 59% | 0.588 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.4 | -28.1 | 172.7 | -71.6 | -30.7 | 0 | 0 | 0 | 113.3 | S43 H44 I45 | S43-D47 PolarHBondContact O-N 3.01Å; H44-D47 WeakPolarHBondContact O-CB 3.48Å; H44-D47 PolarHBondContact O-N 3.06Å; I45-D47 PolarHBondContact O-N 3.31Å |
| 48 | H | 63.7 | Low | 61.4 | Low | 74 Ų | 74 | 79 Ų | 79 | 34% | 0.343 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -79.2 | -36.5 | 170.5 | -69.5 | -82 | 0 | 0 | 0 | 111.9 | I28 C31 H44 I45 M46 S50 | I28-H48 HydrophobicContact CD1-CB 3.26Å; I28-H48 VanDerWaalsContact CD1-CD2 3.41Å; I28-H48 WeakPolarHBondContact CD1-CD2 3.43Å; C31-H48 PolarHBondContact SG-NE2 3.38Å; H44-H48 AromaticContact CD2-NE2 3.91Å; H44-H48 AromaticContact CE1-CD2 3.58Å; H44-H48 AromaticContact CE1-CE1 3.96Å; H44-H48 AromaticContact CE1-NE2 3.01Å; H44-H48 PolarHBondContact CE1-NE2 3.2Å; H44-H48 AromaticContact ND1-NE2 3.95Å; H44-H48 AromaticContact NE2-CD2 3.59Å; H44-H48 AromaticContact NE2-NE2 2.98Å; H44-H48 PolarHBondContact NE2-NE2 3.26Å; H44-H48 PolarHBondContact O-CD2 3.39Å; H44-H48 PolarHBondContact O-N 3.16Å; I45-H48 WeakPolarHBondContact O-CA 3.09Å; I45-H48 WeakPolarHBondContact O-CB 3.49Å; I45-H48 PolarHBondContact O-N 2.86Å; M46-H48 VanDerWaalsContact C-N 3.34Å; H48-S50 VanDerWaalsContact C-N 3.26Å |
| 49 | E | 59.3 | Low | 60.3 | Low | 121 Ų | 121 | 80.9 Ų | 80.9 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -77.4 | -13.1 | 176.7 | -67.1 | -177.8 | 154.1 | 0 | 0 | 112.9 | I45 M46 P51 | I45-E49 HydrophobicContact CG2-CG 4.27Å; I45-E49 WeakPolarHBondContact O-CG 3.21Å; I45-E49 PolarHBondContact O-N 2.87Å; M46-E49 CarbonylContact O-C 3.57Å; M46-E49 PolarHBondContact O-N 2.98Å; E49-P51 WeakPolarHBondContact O-CD 3.17Å; E49-P51 WeakPolarHBondContact O-CG 3.38Å |
| 50 | S | 48.9 | Very low | 59.3 | Low | 56 Ų | 56 | 79.2 Ų | 79.2 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -83.5 | 91.8 | 168 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | M46 H48 A52 | M46-S50 WeakPolarHBondContact O-CA 3.41Å; M46-S50 WeakPolarHBondContact O-CB 3.41Å; M46-S50 PolarHBondContact O-N 2.96Å; H48-S50 VanDerWaalsContact C-N 3.26Å; S50-A52 PolarHBondContact O-N 3.3Å |
| 51 | P | 48.4 | Very low | 58.6 | Low | 112 Ų | 112 | 83.2 Ų | 83.2 | 73% | 0.727 | 47% | 0.467 | S | S | * | . | trans | -78.7 | 87.3 | -174.4 | -4.7 | 28.4 | 0 | 0 | 0 | 105.9 | E49 | E49-P51 WeakPolarHBondContact O-CD 3.17Å; E49-P51 WeakPolarHBondContact O-CG 3.38Å | ||
| 52 | A | 43.3 | Very low | 58.1 | Low | 37 Ų | 37 | 83.2 Ų | 83.2 | 31% | 0.306 | 47% | 0.467 | S | S | . | . | trans | 79.5 | 110.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | S50 S54 M74 | S50-A52 PolarHBondContact O-N 3.3Å; A52-S54 PolarHBondContact O-N 3.42Å; A52-M74 HydrophobicContact CB-CE 3.57Å; A52-M74 HydrophobicContact CB-CG 4.48Å | ||
| 53 | Q | 46.4 | Very low | 57.6 | Low | 142 Ų | 142 | 84 Ų | 84 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | -52.6 | 73.2 | 129.4 | -72.7 | -112 | 28.6 | 0 | 0 | 110.1 | L55 K58 | Q53-L55 PolarHBondContact O-N 2.75Å; Q53-K58 VanDerWaalsContact O-CE 3.24Å; Q53-K58 WeakPolarHBondContact O-CE 3.21Å; Q53-K58 PolarHBondContact O-NZ 2.78Å | |||
| 54 | S | 44 | Very low | 56.7 | Low | 72 Ų | 72 | 83.3 Ų | 83.3 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | trans | -68.1 | 80.5 | 154.2 | 51 | 0 | 0 | 0 | 0 | 107.1 | A52 | A52-S54 PolarHBondContact O-N 3.42Š| ||
| 55 | L | 46.6 | Very low | 55.4 | Low | 95 Ų | 95 | 88.8 Ų | 88.8 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | trans | -51.9 | 128.7 | 163.7 | -71.8 | 171.6 | 0 | 0 | 0 | 107.8 | Q53 G57 K58 | Q53-L55 PolarHBondContact O-N 2.75Å; L55-G57 PolarHBondContact O-N 2.82Å; L55-K58 HydrophobicContact CB-CD 4.01Å; L55-K58 HydrophobicContact CD1-CD 4.46Å | ||
| 56 | P | 40.2 | Very low | 54.4 | Low | 134 Ų | 134 | 91.4 Ų | 91.4 | 87% | 0.87 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 109.3 | 179.5 | -20.5 | 30.8 | 0 | 0 | 0 | 109.9 | ||
| 57 | G | 48.5 | Very low | 53.7 | Low | 79 Ų | 79 | 88.1 Ų | 88.1 | 81% | 0.814 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.2 | -15.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L55 K59 | L55-G57 PolarHBondContact O-N 2.82Å; G57-K59 PolarHBondContact O-N 3.26Å |
| 58 | K | 55 | Low | 53.5 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 44% | 0.443 | 55% | 0.55 | S | S | . | . | trans | -91.6 | 106.5 | 175.7 | 68.6 | -164 | 179.9 | -164.8 | 0 | 110.7 | Q53 L55 L60 | Q53-K58 VanDerWaalsContact O-CE 3.24Å; Q53-K58 WeakPolarHBondContact O-CE 3.21Å; Q53-K58 PolarHBondContact O-NZ 2.78Å; L55-K58 HydrophobicContact CB-CD 4.01Å; L55-K58 HydrophobicContact CD1-CD 4.46Å; K58-L60 PolarHBondContact O-N 3.11Å | ||
| 59 | K | 56.7 | Low | 53.3 | Low | 152 Ų | 152 | 86.2 Ų | 86.2 | 66% | 0.661 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 128.7 | 174 | -59.5 | 174.1 | -174.7 | 174.2 | 0 | 108.5 | G57 F71 | G57-K59 PolarHBondContact O-N 3.26Å; K59-F71 CarbonylContact C-O 3.6Å; K59-F71 WeakPolarHBondContact CA-O 2.97Å |
| 60 | L | 56.3 | Low | 53.5 | Low | 24 Ų | 24 | 83.1 Ų | 83.1 | 13% | 0.126 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.6 | -178.2 | -53.6 | 175.8 | 0 | 0 | 0 | 109.5 | K58 S70 F71 M74 L77 | K58-L60 PolarHBondContact O-N 3.11Å; L60-S70 CarbonylContact O-C 3.5Å; L60-S70 WeakPolarHBondContact O-CA 3.37Å; L60-F71 PolarHBondContact N-O 2.85Å; L60-F71 PolarHBondContact O-N 2.9Å; L60-M74 HydrophobicContact CD1-CB 3.69Å; L60-M74 HydrophobicContact CD1-CE 3.63Å; L60-M74 HydrophobicContact CD1-CG 4.36Å; L60-M74 HydrophobicContact CD1-SD 3.82Å; L60-L77 HydrophobicContact CB-CB 4.28Å; L60-L77 HydrophobicContact CB-CD2 3.53Å; L60-L77 HydrophobicContact CB-CG 4.45Å; L60-L77 HydrophobicContact CD1-CD2 4.32Å |
| 61 | L | 63.6 | Low | 54.3 | Low | 114 Ų | 114 | 82.5 Ų | 82.5 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 146.6 | -178.4 | -67.4 | 160.3 | 0 | 0 | 0 | 110.8 | ||
| 62 | C | 64.7 | Low | 55.1 | Low | 9 Ų | 9 | 82.1 Ų | 82.1 | 6% | 0.061 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 123.7 | 172.7 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | T64 C67 A69 L77 H80 H84 | C62-T64 PolarHBondContact O-N 2.78Å; C62-T64 PolarHBondContact SG-OG1 3.45Å; C62-C67 HydrophobicContact CB-CB 4.27Å; C62-A69 PolarHBondContact N-O 3.49Å; C62-L77 HydrophobicContact CB-CD1 4.13Å; C62-H80 VanDerWaalsContact SG-CD2 3.53Å; C62-H80 PolarHBondContact SG-NE2 2.76Å; C62-H84 PolarHBondContact SG-CD2 3.22Å; C62-H84 PolarHBondContact SG-NE2 2.88Å |
| 63 | S | 63 | Low | 55.9 | Low | 126 Ų | 126 | 82.7 Ų | 82.7 | 88% | 0.881 | 53% | 0.526 | S | S | * | . | trans | -83.4 | 13.7 | 177.9 | -50.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 64 | T | 54.7 | Low | 56.7 | Low | 47 Ų | 47 | 78.6 Ų | 78.6 | 29% | 0.288 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -82.2 | 132.4 | -177.7 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | C62 G66 C67 H84 | C62-T64 PolarHBondContact O-N 2.78Å; C62-T64 PolarHBondContact SG-OG1 3.45Å; T64-G66 PolarHBondContact O-N 3.38Å; T64-C67 PolarHBondContact O-N 3.4Å; T64-H84 HydrophobicContact CG2-CB 4.14Å; T64-H84 PolarHBondContact OG1-CD2 3.39Å |
| 65 | S | 48.4 | Very low | 57.8 | Low | 122 Ų | 122 | 82.4 Ų | 82.4 | 85% | 0.853 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 111.6 | -179.2 | 59 | 0 | 0 | 0 | 0 | 111.5 | ||
| 66 | G | 53.9 | Low | 58.7 | Low | 92 Ų | 92 | 83.5 Ų | 83.5 | 95% | 0.948 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | 10.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T64 | T64-G66 PolarHBondContact O-N 3.38Š|
| 67 | C | 56.8 | Low | 60 | Low | 31 Ų | 31 | 77.8 Ų | 77.8 | 21% | 0.209 | 48% | 0.481 | C | S | . | . | trans | -114.9 | 122.2 | 174.4 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | C62 T64 H80 H84 | C62-C67 HydrophobicContact CB-CB 4.27Å; T64-C67 PolarHBondContact O-N 3.4Å; C67-H80 VanDerWaalsContact SG-CE1 3.52Å; C67-H80 PolarHBondContact SG-NE2 2.81Å; C67-H84 PolarHBondContact SG-NE2 3.22Å | ||
| 68 | S | 60.7 | Low | 61 | Low | 114 Ų | 114 | 78.4 Ų | 78.4 | 80% | 0.797 | 46% | 0.464 | S | S | * | . | trans | -106.7 | 18.6 | 178.2 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | S70 | S68-S70 PolarHBondContact O-N 3.37Š| ||
| 69 | A | 60.1 | Low | 61.7 | Low | 29 Ų | 29 | 78 Ų | 78 | 24% | 0.24 | 46% | 0.463 | C | S | . | . | trans | -71.7 | 129.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C62 F71 | C62-A69 PolarHBondContact N-O 3.49Å; A69-F71 HydrophobicContact CB-CE2 3.45Å; A69-F71 VanDerWaalsContact CB-CE2 3.45Å; A69-F71 HydrophobicContact CB-CZ 3.63Å | ||
| 70 | S | 62.9 | Low | 62.3 | Low | 57 Ų | 57 | 72.3 Ų | 72.3 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.4 | 178.5 | 75.3 | 0 | 0 | 0 | 0 | 110.7 | L60 S68 | L60-S70 CarbonylContact O-C 3.5Å; L60-S70 WeakPolarHBondContact O-CA 3.37Å; S68-S70 PolarHBondContact O-N 3.37Å |
| 71 | F | 65.4 | Low | 62.7 | Low | 43 Ų | 43 | 72.2 Ų | 72.2 | 19% | 0.189 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142 | -176.4 | -61.2 | -83.7 | 0 | 0 | 0 | 111.9 | K59 L60 A69 S73 K76 L77 H80 | K59-F71 CarbonylContact C-O 3.6Å; K59-F71 WeakPolarHBondContact CA-O 2.97Å; L60-F71 PolarHBondContact N-O 2.85Å; L60-F71 PolarHBondContact O-N 2.9Å; A69-F71 HydrophobicContact CB-CE2 3.45Å; A69-F71 VanDerWaalsContact CB-CE2 3.45Å; A69-F71 HydrophobicContact CB-CZ 3.63Å; F71-S73 PolarHBondContact O-N 3.08Å; F71-K76 HydrophobicContact CB-CB 4.04Å; F71-K76 HydrophobicContact CD1-CB 3.87Å; F71-K76 HydrophobicContact CG-CB 4.21Å; F71-L77 HydrophobicContact CB-CB 4.16Å; F71-L77 HydrophobicContact CD2-CB 4.16Å; F71-L77 HydrophobicContact CD2-CD1 3.83Å; F71-L77 HydrophobicContact CE2-CD1 4.33Å; F71-L77 HydrophobicContact CG-CB 4.41Å; F71-H80 HydrophobicContact CD2-CB 4.19Å; F71-H80 HydrophobicContact CE1-CB 4.01Å; F71-H80 HydrophobicContact CE2-CB 3.49Å; F71-H80 VanDerWaalsContact CE2-CB 3.49Å; F71-H80 AromaticContact CE2-CD2 3.29Å; F71-H80 WeakPolarHBondContact CE2-CD2 3.29Å; F71-H80 AromaticContact CE2-CG 3.2Å; F71-H80 AromaticContact CE2-ND1 3.73Å; F71-H80 AromaticContact CE2-NE2 3.84Å; F71-H80 HydrophobicContact CZ-CB 3.39Å; F71-H80 AromaticContact CZ-CD2 3.77Å; F71-H80 AromaticContact CZ-CE1 3.92Å; F71-H80 AromaticContact CZ-CG 3.19Å; F71-H80 AromaticContact CZ-ND1 3.34Å; F71-H80 VanDerWaalsContact CZ-ND1 3.34Å; F71-H80 WeakPolarHBondContact CZ-ND1 3.35Å |
| 72 | P | 65.4 | Low | 62.9 | Low | 104 Ų | 104 | 74.1 Ų | 74.1 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -76 | -11.1 | 179.9 | 30.8 | -35.7 | 0 | 0 | 0 | 113.5 | K76 | P72-K76 HydrophobicContact CG-CD 4.39Š|
| 73 | S | 59.7 | Low | 62.7 | Low | 48 Ų | 48 | 79 Ų | 79 | 34% | 0.336 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -140.6 | 143.4 | -176.4 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | F71 Q75 K76 L77 | F71-S73 PolarHBondContact O-N 3.08Å; S73-Q75 PolarHBondContact O-N 2.98Å; S73-Q75 PolarHBondContact OG-N 2.88Å; S73-K76 PolarHBondContact O-N 3.05Å; S73-K76 VanDerWaalsContact O-N 3.16Å; S73-L77 PolarHBondContact O-N 3.03Å |
| 74 | M | 64.8 | Low | 62.6 | Low | 56 Ų | 56 | 76 Ų | 76 | 28% | 0.276 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.9 | -33.8 | 176 | -173.2 | 58.4 | 81.5 | 0 | 0 | 111.2 | A52 L60 K76 L77 M78 | A52-M74 HydrophobicContact CB-CE 3.57Å; A52-M74 HydrophobicContact CB-CG 4.48Å; L60-M74 HydrophobicContact CD1-CB 3.69Å; L60-M74 HydrophobicContact CD1-CE 3.63Å; L60-M74 HydrophobicContact CD1-CG 4.36Å; L60-M74 HydrophobicContact CD1-SD 3.82Å; M74-K76 VanDerWaalsContact C-N 3.34Å; M74-K76 PolarHBondContact O-N 2.86Å; M74-L77 CarbonylContact O-C 3.38Å; M74-L77 PolarHBondContact O-N 2.95Å; M74-L77 HydrophobicContact SD-CB 4.48Å; M74-L77 HydrophobicContact SD-CD2 4.05Å; M74-M78 HydrophobicContact CG-CG 4.07Å; M74-M78 VanDerWaalsContact O-CB 3.26Å; M74-M78 WeakPolarHBondContact O-CB 3.48Å; M74-M78 WeakPolarHBondContact O-CG 3.09Å; M74-M78 PolarHBondContact O-N 2.74Å; M74-M78 HydrophobicContact SD-CE 4Å; M74-M78 HydrophobicContact SD-CG 4.16Å |
| 75 | Q | 67.1 | Low | 62.5 | Low | 152 Ų | 152 | 83.1 Ų | 83.1 | 71% | 0.71 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 177.7 | -167 | 177.3 | 3 | 0 | 0 | 112 | S73 M78 E79 | S73-Q75 PolarHBondContact O-N 2.98Å; S73-Q75 PolarHBondContact OG-N 2.88Å; Q75-M78 PolarHBondContact O-N 3.38Å; Q75-E79 VanDerWaalsContact O-CB 3.32Å; Q75-E79 WeakPolarHBondContact O-CB 3.31Å; Q75-E79 PolarHBondContact O-N 2.96Å |
| 76 | K | 64.2 | Low | 62.7 | Low | 118 Ų | 118 | 83.7 Ų | 83.7 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.8 | -37.1 | 175.5 | -71.1 | -174 | 177.6 | 179.9 | 0 | 111.8 | F71 P72 S73 M74 H80 | F71-K76 HydrophobicContact CB-CB 4.04Å; F71-K76 HydrophobicContact CD1-CB 3.87Å; F71-K76 HydrophobicContact CG-CB 4.21Å; P72-K76 HydrophobicContact CG-CD 4.39Å; S73-K76 PolarHBondContact O-N 3.05Å; S73-K76 VanDerWaalsContact O-N 3.16Å; M74-K76 VanDerWaalsContact C-N 3.34Å; M74-K76 PolarHBondContact O-N 2.86Å; K76-H80 WeakPolarHBondContact O-CB 3.49Å; K76-H80 PolarHBondContact O-N 2.69Å |
| 77 | L | 68.4 | Low | 62.6 | Low | 15 Ų | 15 | 83.1 Ų | 83.1 | 8% | 0.079 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 171.5 | 176.8 | 62.2 | 0 | 0 | 0 | 111.5 | L60 C62 F71 S73 M74 H80 T81 | L60-L77 HydrophobicContact CB-CB 4.28Å; L60-L77 HydrophobicContact CB-CD2 3.53Å; L60-L77 HydrophobicContact CB-CG 4.45Å; L60-L77 HydrophobicContact CD1-CD2 4.32Å; C62-L77 HydrophobicContact CB-CD1 4.13Å; F71-L77 HydrophobicContact CB-CB 4.16Å; F71-L77 HydrophobicContact CD2-CB 4.16Å; F71-L77 HydrophobicContact CD2-CD1 3.83Å; F71-L77 HydrophobicContact CE2-CD1 4.33Å; F71-L77 HydrophobicContact CG-CB 4.41Å; S73-L77 PolarHBondContact O-N 3.03Å; M74-L77 CarbonylContact O-C 3.38Å; M74-L77 PolarHBondContact O-N 2.95Å; M74-L77 HydrophobicContact SD-CB 4.48Å; M74-L77 HydrophobicContact SD-CD2 4.05Å; L77-H80 CarbonylContact O-C 3.55Å; L77-H80 PolarHBondContact O-N 3.42Å; L77-T81 HydrophobicContact CD1-CG2 3.89Å; L77-T81 HydrophobicContact CG-CG2 4.26Å; L77-T81 WeakPolarHBondContact O-CB 3.12Å; L77-T81 VanDerWaalsContact O-CG2 3.28Å; L77-T81 WeakPolarHBondContact O-CG2 3.5Å; L77-T81 PolarHBondContact O-N 3.19Å; L77-T81 PolarHBondContact O-OG1 3.5Å |
| 78 | M | 69.4 | Low | 62.3 | Low | 92 Ų | 92 | 87.2 Ų | 87.2 | 45% | 0.453 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 177 | -74.9 | -68.3 | 108 | 0 | 0 | 111.2 | M74 Q75 T81 R82 | M74-M78 HydrophobicContact CG-CG 4.07Å; M74-M78 VanDerWaalsContact O-CB 3.26Å; M74-M78 WeakPolarHBondContact O-CB 3.48Å; M74-M78 WeakPolarHBondContact O-CG 3.09Å; M74-M78 PolarHBondContact O-N 2.74Å; M74-M78 HydrophobicContact SD-CE 4Å; M74-M78 HydrophobicContact SD-CG 4.16Å; Q75-M78 PolarHBondContact O-N 3.38Å; M78-T81 WeakPolarHBondContact CA-OG1 3.49Å; M78-T81 PolarHBondContact O-OG1 3.35Å; M78-T81 VanDerWaalsContact O-OG1 3.06Å; M78-R82 WeakPolarHBondContact O-CB 3.28Å; M78-R82 WeakPolarHBondContact O-CG 3.24Å; M78-R82 PolarHBondContact O-N 3.02Å; M78-R82 PolarHBondContact O-NE 2.78Å |
| 79 | E | 69.1 | Low | 62.3 | Low | 93 Ų | 93 | 86.4 Ų | 86.4 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 169 | -178.1 | 170.8 | -161.8 | 0 | 0 | 112.3 | Q75 R82 H83 | Q75-E79 VanDerWaalsContact O-CB 3.32Å; Q75-E79 WeakPolarHBondContact O-CB 3.31Å; Q75-E79 PolarHBondContact O-N 2.96Å; E79-R82 WeakPolarHBondContact O-CA 3.46Å; E79-R82 WeakPolarHBondContact O-CB 3.47Å; E79-R82 PolarHBondContact O-N 3.46Å; E79-R82 VanDerWaalsContact O-N 3.15Å; E79-H83 PolarHBondContact O-N 3.13Å; E79-H83 PolarHBondContact O-ND1 3.25Å |
| 80 | H | 69.1 | Low | 62.6 | Low | 33 Ų | 33 | 89.6 Ų | 89.6 | 15% | 0.153 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 177.1 | 171.2 | 77.9 | 0 | 0 | 0 | 112.7 | C62 C67 F71 K76 L77 R82 H83 H84 | C62-H80 VanDerWaalsContact SG-CD2 3.53Å; C62-H80 PolarHBondContact SG-NE2 2.76Å; C67-H80 VanDerWaalsContact SG-CE1 3.52Å; C67-H80 PolarHBondContact SG-NE2 2.81Å; F71-H80 HydrophobicContact CD2-CB 4.19Å; F71-H80 HydrophobicContact CE1-CB 4.01Å; F71-H80 HydrophobicContact CE2-CB 3.49Å; F71-H80 VanDerWaalsContact CE2-CB 3.49Å; F71-H80 AromaticContact CE2-CD2 3.29Å; F71-H80 WeakPolarHBondContact CE2-CD2 3.29Å; F71-H80 AromaticContact CE2-CG 3.2Å; F71-H80 AromaticContact CE2-ND1 3.73Å; F71-H80 AromaticContact CE2-NE2 3.84Å; F71-H80 HydrophobicContact CZ-CB 3.39Å; F71-H80 AromaticContact CZ-CD2 3.77Å; F71-H80 AromaticContact CZ-CE1 3.92Å; F71-H80 AromaticContact CZ-CG 3.19Å; F71-H80 AromaticContact CZ-ND1 3.34Å; F71-H80 VanDerWaalsContact CZ-ND1 3.34Å; F71-H80 WeakPolarHBondContact CZ-ND1 3.35Å; K76-H80 WeakPolarHBondContact O-CB 3.49Å; K76-H80 PolarHBondContact O-N 2.69Å; L77-H80 CarbonylContact O-C 3.55Å; L77-H80 PolarHBondContact O-N 3.42Å; H80-R82 VanDerWaalsContact C-N 3.29Å; H80-R82 PolarHBondContact O-N 2.99Å; H80-H83 WeakPolarHBondContact O-CA 3.38Å; H80-H83 VanDerWaalsContact O-CB 3.24Å; H80-H83 WeakPolarHBondContact O-CB 3.41Å; H80-H83 PolarHBondContact O-N 3.4Å; H80-H84 AromaticContact CD2-CD2 3.8Å; H80-H84 AromaticContact CD2-NE2 3.77Å; H80-H84 AromaticContact CE1-CD2 4Å; H80-H84 AromaticContact CE1-NE2 3.34Å; H80-H84 PolarHBondContact CE1-NE2 3.03Å; H80-H84 VanDerWaalsContact CE1-NE2 3.34Å; H80-H84 AromaticContact NE2-CD2 3.44Å; H80-H84 PolarHBondContact NE2-CD2 3.06Å; H80-H84 AromaticContact NE2-NE2 2.92Å; H80-H84 PolarHBondContact NE2-NE2 2.88Å; H80-H84 PolarHBondContact O-CD2 3.03Å; H80-H84 PolarHBondContact O-N 2.93Å |
| 81 | T | 64.6 | Low | 62.6 | Low | 21 Ų | 21 | 89.9 Ų | 89.9 | 13% | 0.129 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.5 | -28.2 | 174 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | L77 M78 H83 H84 Y85 | L77-T81 HydrophobicContact CD1-CG2 3.89Å; L77-T81 HydrophobicContact CG-CG2 4.26Å; L77-T81 WeakPolarHBondContact O-CB 3.12Å; L77-T81 VanDerWaalsContact O-CG2 3.28Å; L77-T81 WeakPolarHBondContact O-CG2 3.5Å; L77-T81 PolarHBondContact O-N 3.19Å; L77-T81 PolarHBondContact O-OG1 3.5Å; M78-T81 WeakPolarHBondContact CA-OG1 3.49Å; M78-T81 PolarHBondContact O-OG1 3.35Å; M78-T81 VanDerWaalsContact O-OG1 3.06Å; T81-H83 PolarHBondContact O-N 3.38Å; T81-H84 CarbonylContact O-C 3.58Å; T81-H84 WeakPolarHBondContact O-CA 3.45Å; T81-H84 WeakPolarHBondContact O-CB 3.45Å; T81-H84 PolarHBondContact O-N 3.32Å; T81-Y85 WeakPolarHBondContact O-CB 3.5Å; T81-Y85 WeakPolarHBondContact O-CD2 3.29Å; T81-Y85 PolarHBondContact O-N 3.31Å |
| 82 | R | 67.8 | Low | 63 | Low | 154 Ų | 154 | 92.8 Ų | 92.8 | 58% | 0.581 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.5 | -16.9 | 165.3 | -74.9 | -178.5 | -59.5 | 154.6 | 4.2 | 113.9 | M78 E79 H80 Y85 K86 | M78-R82 WeakPolarHBondContact O-CB 3.28Å; M78-R82 WeakPolarHBondContact O-CG 3.24Å; M78-R82 PolarHBondContact O-N 3.02Å; M78-R82 PolarHBondContact O-NE 2.78Å; E79-R82 WeakPolarHBondContact O-CA 3.46Å; E79-R82 WeakPolarHBondContact O-CB 3.47Å; E79-R82 PolarHBondContact O-N 3.46Å; E79-R82 VanDerWaalsContact O-N 3.15Å; H80-R82 VanDerWaalsContact C-N 3.29Å; H80-R82 PolarHBondContact O-N 2.99Å; R82-Y85 CarbonylContact O-C 3.59Å; R82-K86 PolarHBondContact O-N 3.49Å |
| 83 | H | 61 | Low | 63.8 | Low | 113 Ų | 113 | 87.9 Ų | 87.9 | 52% | 0.523 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -80.9 | -30 | 168 | -65.6 | 77.1 | 0 | 0 | 0 | 111.9 | E79 H80 T81 K86 | E79-H83 PolarHBondContact O-N 3.13Å; E79-H83 PolarHBondContact O-ND1 3.25Å; H80-H83 WeakPolarHBondContact O-CA 3.38Å; H80-H83 VanDerWaalsContact O-CB 3.24Å; H80-H83 WeakPolarHBondContact O-CB 3.41Å; H80-H83 PolarHBondContact O-N 3.4Å; T81-H83 PolarHBondContact O-N 3.38Å; H83-K86 WeakPolarHBondContact O-CB 3.41Å; H83-K86 PolarHBondContact O-N 2.84Å |
| 84 | H | 60.3 | Low | 64.8 | Low | 61 Ų | 61 | 92.5 Ų | 92.5 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -77 | -33.3 | 168.5 | -66.7 | -65 | 0 | 0 | 0 | 112.9 | C62 T64 C67 H80 T81 | C62-H84 PolarHBondContact SG-CD2 3.22Å; C62-H84 PolarHBondContact SG-NE2 2.88Å; T64-H84 HydrophobicContact CG2-CB 4.14Å; T64-H84 PolarHBondContact OG1-CD2 3.39Å; C67-H84 PolarHBondContact SG-NE2 3.22Å; H80-H84 AromaticContact CD2-CD2 3.8Å; H80-H84 AromaticContact CD2-NE2 3.77Å; H80-H84 AromaticContact CE1-CD2 4Å; H80-H84 AromaticContact CE1-NE2 3.34Å; H80-H84 PolarHBondContact CE1-NE2 3.03Å; H80-H84 VanDerWaalsContact CE1-NE2 3.34Å; H80-H84 AromaticContact NE2-CD2 3.44Å; H80-H84 PolarHBondContact NE2-CD2 3.06Å; H80-H84 AromaticContact NE2-NE2 2.92Å; H80-H84 PolarHBondContact NE2-NE2 2.88Å; H80-H84 PolarHBondContact O-CD2 3.03Å; H80-H84 PolarHBondContact O-N 2.93Å; T81-H84 CarbonylContact O-C 3.58Å; T81-H84 WeakPolarHBondContact O-CA 3.45Å; T81-H84 WeakPolarHBondContact O-CB 3.45Å; T81-H84 PolarHBondContact O-N 3.32Å |
| 85 | Y | 54.5 | Low | 65.5 | Low | 197 Ų | 197 | 92.1 Ų | 92.1 | 77% | 0.773 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -86.4 | 12.1 | 169.4 | -84.2 | -91.6 | 0 | 0 | 0 | 112 | T81 R82 | T81-Y85 WeakPolarHBondContact O-CB 3.5Å; T81-Y85 WeakPolarHBondContact O-CD2 3.29Å; T81-Y85 PolarHBondContact O-N 3.31Å; R82-Y85 CarbonylContact O-C 3.59Å |
| 86 | K | 51.3 | Low | 66.2 | Low | 134 Ų | 134 | 87.2 Ų | 87.2 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -64.6 | 117.3 | 149.4 | -163.8 | 80.4 | 77.2 | -155.3 | 0 | 102.9 | R82 H83 N88 | R82-K86 PolarHBondContact O-N 3.49Å; H83-K86 WeakPolarHBondContact O-CB 3.41Å; H83-K86 PolarHBondContact O-N 2.84Å; K86-N88 PolarHBondContact O-N 3.42Å |
| 87 | P | 51.8 | Low | 66.8 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 52% | 0.519 | 41% | 0.411 | S | S | . | . | trans | -51.4 | 119 | -157.1 | 26.6 | -37.7 | 0 | 0 | 0 | 107.2 | I89 | P87-I89 HydrophobicContact CB-CB 4.22Å; P87-I89 HydrophobicContact CB-CD1 3.52Å; P87-I89 HydrophobicContact CB-CG1 3.51Å; P87-I89 HydrophobicContact CB-CG2 4.04Å; P87-I89 HydrophobicContact CG-CD1 3.33Å; P87-I89 HydrophobicContact CG-CG1 3.59Å; P87-I89 WeakPolarHBondContact O-CG1 3.09Å; P87-I89 PolarHBondContact O-N 2.94Å | ||
| 88 | N | 50.8 | Low | 67.2 | Low | 118 Ų | 118 | 89.7 Ų | 89.7 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | trans | -66.5 | 41.3 | 165.5 | -167.4 | 11.1 | 0 | 0 | 0 | 108.7 | K86 Y90 | K86-N88 PolarHBondContact O-N 3.42Å; N88-Y90 PolarHBondContact O-N 3.2Å; N88-Y90 WeakPolarHBondContact OD1-CD2 3.4Å; N88-Y90 WeakPolarHBondContact OD1-CE2 3.38Å | ||
| 89 | I | 61.8 | Low | 67.6 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | trans | -79.8 | 71.6 | 165.8 | 53.6 | -168.7 | 0 | 0 | 0 | 105.3 | P87 F91 | P87-I89 HydrophobicContact CB-CB 4.22Å; P87-I89 HydrophobicContact CB-CD1 3.52Å; P87-I89 HydrophobicContact CB-CG1 3.51Å; P87-I89 HydrophobicContact CB-CG2 4.04Å; P87-I89 HydrophobicContact CG-CD1 3.33Å; P87-I89 HydrophobicContact CG-CG1 3.59Å; P87-I89 WeakPolarHBondContact O-CG1 3.09Å; P87-I89 PolarHBondContact O-N 2.94Å; I89-F91 HydrophobicContact CD1-CE2 4.49Å; I89-F91 HydrophobicContact CD1-CZ 4.19Å; I89-F91 HydrophobicContact CG1-CE2 4.24Å; I89-F91 HydrophobicContact CG1-CZ 4.36Å; I89-F91 WeakPolarHBondContact O-CD2 3.47Å; I89-F91 PolarHBondContact O-N 3.22Å; I89-F91 VanDerWaalsContact O-N 3.11Å | ||
| 90 | Y | 66.1 | Low | 68 | Low | 95 Ų | 95 | 89.8 Ų | 89.8 | 37% | 0.373 | 42% | 0.42 | S | S | . | . | trans | -54.4 | 121 | 149.8 | -69 | -69.9 | 0 | 0 | 0 | 106.9 | N88 Q92 K99 L100 | N88-Y90 PolarHBondContact O-N 3.2Å; N88-Y90 WeakPolarHBondContact OD1-CD2 3.4Å; N88-Y90 WeakPolarHBondContact OD1-CE2 3.38Å; Y90-Q92 PolarHBondContact O-N 3.45Å; Y90-K99 HydrophobicContact CD1-CB 4.12Å; Y90-K99 HydrophobicContact CD2-CD 4.31Å; Y90-K99 HydrophobicContact CG-CB 3.87Å; Y90-K99 HydrophobicContact CG-CD 4.39Å; Y90-K99 HydrophobicContact CG-CG 4.41Å; Y90-L100 CarbonylContact C-O 3.52Å; Y90-L100 WeakPolarHBondContact CA-O 3.46Å | ||
| 91 | F | 61.3 | Low | 68.1 | Low | 64 Ų | 64 | 97.9 Ų | 97.9 | 28% | 0.281 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 113.4 | 173.2 | -72.9 | -84 | 0 | 0 | 0 | 107 | I89 L100 Y103 L106 | I89-F91 HydrophobicContact CD1-CE2 4.49Å; I89-F91 HydrophobicContact CD1-CZ 4.19Å; I89-F91 HydrophobicContact CG1-CE2 4.24Å; I89-F91 HydrophobicContact CG1-CZ 4.36Å; I89-F91 WeakPolarHBondContact O-CD2 3.47Å; I89-F91 PolarHBondContact O-N 3.22Å; I89-F91 VanDerWaalsContact O-N 3.11Å; F91-L100 PolarHBondContact N-O 2.87Å; F91-L100 PolarHBondContact O-N 3.42Å; F91-Y103 HydrophobicContact CD1-CD2 4.11Å; F91-Y103 AromaticContact CE1-CD2 3.93Å; F91-Y103 HydrophobicContact CE1-CD2 3.93Å; F91-Y103 HydrophobicContact CE1-CG 4.48Å; F91-Y103 HydrophobicContact CZ-CD2 4.42Å; F91-L106 HydrophobicContact CB-CB 3.74Å; F91-L106 HydrophobicContact CB-CD2 3.62Å; F91-L106 HydrophobicContact CB-CG 4.11Å; F91-L106 HydrophobicContact CD1-CD2 4.17Å; F91-L106 HydrophobicContact CG-CB 4.48Å; F91-L106 HydrophobicContact CG-CD2 4.27Å |
| 92 | Q | 74.1 | Confident | 68.3 | Low | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.5 | -179.4 | -173.2 | 166.4 | 46.3 | 0 | 0 | 110.1 | Y90 R97 T98 | Y90-Q92 PolarHBondContact O-N 3.45Å; Q92-R97 HydrophobicContact CG-CB 4.28Å; Q92-R97 HydrophobicContact CG-CG 4.21Å; Q92-R97 PolarHBondContact NE2-O 2.06Å; Q92-T98 WeakPolarHBondContact CA-O 3.47Å |
| 93 | C | 82.1 | Confident | 68.5 | Low | 0 Ų | 0 | 98.1 Ų | 98.1 | 0% | 0 | 46% | 0.458 | C | S | . | . | trans | -73.4 | 130.4 | 170 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | S95 C96 R97 T98 L106 C113 | C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact O-N 3.45Å; C93-C96 PolarHBondContact SG-SG 2.81Å; C93-R97 WeakPolarHBondContact O-CA 3.49Å; C93-R97 PolarHBondContact O-N 3Å; C93-T98 WeakPolarHBondContact CB-OG1 3.39Å; C93-T98 PolarHBondContact N-O 3.32Å; C93-L106 HydrophobicContact CB-CD1 3.94Å; C93-C113 VanDerWaalsContact SG-SG 3.68Å | ||
| 94 | E | 82 | Confident | 69.3 | Low | 145 Ų | 145 | 101.2 Ų | 101.2 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -42.3 | 177.9 | -169.5 | 56.1 | -141.8 | 0 | 0 | 111.8 | R118 | E94-R118 PolarHBondContact O-NH2 2.93Š|
| 95 | S | 79 | Confident | 70.4 | Confident | 49 Ų | 49 | 99.6 Ų | 99.6 | 34% | 0.343 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -49.5 | -175.4 | -53 | 0 | 0 | 0 | 0 | 112.7 | C93 R118 | C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact O-N 3.45Å; S95-R118 WeakPolarHBondContact O-CG 3.33Å; S95-R118 PolarHBondContact O-NE 3.35Å |
| 96 | C | 81.1 | Confident | 71.7 | Confident | 48 Ų | 48 | 91 Ų | 91 | 32% | 0.324 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 1.8 | -172.8 | 42 | 0 | 0 | 0 | 0 | 115 | C93 T98 H109 C113 | C93-C96 PolarHBondContact SG-SG 2.81Å; C96-T98 HydrophobicContact CB-CG2 4.27Å; C96-T98 PolarHBondContact O-N 2.93Å; C96-H109 PolarHBondContact SG-CE1 2.76Å; C96-H109 PolarHBondContact SG-NE2 3.37Å; C96-C113 WeakPolarHBondContact CB-SG 3.43Å; C96-C113 WeakPolarHBondContact SG-CB 3.42Å; C96-C113 CovalentContact SG-SG 2.06Å; C96-C113 PolarHBondContact SG-SG 2.73Å |
| 97 | R | 77.8 | Confident | 73.2 | Confident | 133 Ų | 133 | 86.5 Ų | 86.5 | 50% | 0.502 | 41% | 0.414 | S | S | . | . | trans | 54.6 | 14.6 | 177.1 | -78.3 | -175.8 | -169.8 | 142.3 | 5.3 | 116.5 | Q92 C93 R118 | Q92-R97 HydrophobicContact CG-CB 4.28Å; Q92-R97 HydrophobicContact CG-CG 4.21Å; Q92-R97 PolarHBondContact NE2-O 2.06Å; C93-R97 WeakPolarHBondContact O-CA 3.49Å; C93-R97 PolarHBondContact O-N 3Å; R97-R118 VanDerWaalsContact CD-NH2 3.28Å; R97-R118 VanDerWaalsContact CG-NH2 3.29Å; R97-R118 VanDerWaalsContact CZ-NH2 3.25Å; R97-R118 VanDerWaalsContact NE-NH2 3.14Å | ||
| 98 | T | 76.5 | Confident | 74.7 | Confident | 52 Ų | 52 | 85.6 Ų | 85.6 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | trans | -60.9 | 134.5 | 171.2 | 51.2 | 0 | 0 | 0 | 0 | 109.8 | Q92 C93 C96 H109 | Q92-T98 WeakPolarHBondContact CA-O 3.47Å; C93-T98 WeakPolarHBondContact CB-OG1 3.39Å; C93-T98 PolarHBondContact N-O 3.32Å; C96-T98 HydrophobicContact CB-CG2 4.27Å; C96-T98 PolarHBondContact O-N 2.93Å; T98-H109 PolarHBondContact OG1-CE1 3.06Å; T98-H109 PolarHBondContact OG1-NE2 3.43Å | ||
| 99 | K | 78.4 | Confident | 76.3 | Confident | 148 Ų | 148 | 82.3 Ų | 82.3 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.1 | 179 | -77.2 | -178.9 | -173.3 | 177.1 | 0 | 108.6 | Y90 | Y90-K99 HydrophobicContact CD1-CB 4.12Å; Y90-K99 HydrophobicContact CD2-CD 4.31Å; Y90-K99 HydrophobicContact CG-CB 3.87Å; Y90-K99 HydrophobicContact CG-CD 4.39Å; Y90-K99 HydrophobicContact CG-CG 4.41Å |
| 100 | L | 75.9 | Confident | 77.4 | Confident | 40 Ų | 40 | 80.7 Ų | 80.7 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.1 | -175.1 | -67.1 | 162.8 | 0 | 0 | 0 | 110.9 | Y90 F91 S102 L106 H109 | Y90-L100 CarbonylContact C-O 3.52Å; Y90-L100 WeakPolarHBondContact CA-O 3.46Å; F91-L100 PolarHBondContact N-O 2.87Å; F91-L100 PolarHBondContact O-N 3.42Å; L100-S102 PolarHBondContact O-N 3.36Å; L100-L106 HydrophobicContact CB-CB 4.48Å; L100-L106 HydrophobicContact CD1-CB 4.1Å; L100-L106 HydrophobicContact CD1-CD1 3.87Å; L100-H109 HydrophobicContact CD1-CB 3.51Å |
| 101 | R | 72.1 | Confident | 78 | Confident | 203 Ų | 203 | 83 Ų | 83 | 77% | 0.766 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -71.5 | -11.1 | -173.4 | -171.4 | 67.8 | 83.4 | 69.5 | -0 | 113.4 | ||
| 102 | S | 69.3 | Low | 79.1 | Confident | 56 Ų | 56 | 85.1 Ų | 85.1 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -149.2 | 150 | 179.7 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | L100 R104 G105 L106 | L100-S102 PolarHBondContact O-N 3.36Å; S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 3.46Å; S102-G105 PolarHBondContact O-N 3.46Å; S102-G105 VanDerWaalsContact O-N 3.16Å; S102-G105 PolarHBondContact OG-N 2.79Å; S102-L106 PolarHBondContact O-N 3.04Å |
| 103 | Y | 70.8 | Confident | 79.3 | Confident | 124 Ų | 124 | 80.6 Ų | 80.6 | 49% | 0.486 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 175.4 | 178.9 | -111.2 | 0 | 0 | 0 | 112.6 | F91 G105 L106 L107 | F91-Y103 HydrophobicContact CD1-CD2 4.11Å; F91-Y103 AromaticContact CE1-CD2 3.93Å; F91-Y103 HydrophobicContact CE1-CD2 3.93Å; F91-Y103 HydrophobicContact CE1-CG 4.48Å; F91-Y103 HydrophobicContact CZ-CD2 4.42Å; Y103-G105 VanDerWaalsContact C-N 3.35Å; Y103-L106 PolarHBondContact O-N 2.91Å; Y103-L107 HydrophobicContact CD2-CD1 4.19Å; Y103-L107 HydrophobicContact CE1-CD1 4.02Å; Y103-L107 HydrophobicContact CE1-CD2 4.12Å; Y103-L107 HydrophobicContact CE2-CD1 3.57Å; Y103-L107 VanDerWaalsContact CZ-CD1 3.48Å; Y103-L107 PolarHBondContact O-N 2.7Å |
| 104 | R | 78.5 | Confident | 78.6 | Confident | 178 Ų | 178 | 84.3 Ų | 84.3 | 67% | 0.672 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 174.1 | -65.5 | -83.6 | 78.8 | 176.7 | 1.2 | 111.4 | S102 L107 A108 | S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 3.46Å; R104-L107 VanDerWaalsContact NH2-CD2 3.33Å; R104-L107 PolarHBondContact O-N 3.48Å; R104-A108 PolarHBondContact O-N 3.31Å; R104-A108 VanDerWaalsContact O-N 3.16Å |
| 105 | G | 82.3 | Confident | 77.5 | Confident | 26 Ų | 26 | 86 Ų | 86 | 27% | 0.268 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S102 Y103 H109 | S102-G105 PolarHBondContact O-N 3.46Å; S102-G105 VanDerWaalsContact O-N 3.16Å; S102-G105 PolarHBondContact OG-N 2.79Å; Y103-G105 VanDerWaalsContact C-N 3.35Å; G105-H109 WeakPolarHBondContact O-CB 3.09Å; G105-H109 PolarHBondContact O-N 2.72Å |
| 106 | L | 82.8 | Confident | 76.3 | Confident | 17 Ų | 17 | 88.2 Ų | 88.2 | 9% | 0.089 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 173.1 | 177.8 | 67.3 | 0 | 0 | 0 | 112.1 | F91 C93 L100 S102 Y103 H109 L110 | F91-L106 HydrophobicContact CB-CB 3.74Å; F91-L106 HydrophobicContact CB-CD2 3.62Å; F91-L106 HydrophobicContact CB-CG 4.11Å; F91-L106 HydrophobicContact CD1-CD2 4.17Å; F91-L106 HydrophobicContact CG-CB 4.48Å; F91-L106 HydrophobicContact CG-CD2 4.27Å; C93-L106 HydrophobicContact CB-CD1 3.94Å; L100-L106 HydrophobicContact CB-CB 4.48Å; L100-L106 HydrophobicContact CD1-CB 4.1Å; L100-L106 HydrophobicContact CD1-CD1 3.87Å; S102-L106 PolarHBondContact O-N 3.04Å; Y103-L106 PolarHBondContact O-N 2.91Å; L106-H109 CarbonylContact O-C 3.54Å; L106-H109 PolarHBondContact O-N 3.06Å; L106-L110 HydrophobicContact CD1-CD1 4.15Å; L106-L110 HydrophobicContact CD1-CD2 4.41Å; L106-L110 HydrophobicContact CD1-CG 3.96Å; L106-L110 HydrophobicContact CD2-CD1 4.17Å; L106-L110 HydrophobicContact CG-CD1 3.8Å; L106-L110 HydrophobicContact CG-CG 4.09Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.06Å; L106-L110 PolarHBondContact O-N 2.72Å |
| 107 | L | 82.1 | Confident | 74.8 | Confident | 40 Ų | 40 | 91.6 Ų | 91.6 | 21% | 0.209 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.6 | -52.4 | 179.7 | -109.8 | 62.8 | 0 | 0 | 0 | 111.6 | Y103 R104 H109 L110 H111 | Y103-L107 HydrophobicContact CD2-CD1 4.19Å; Y103-L107 HydrophobicContact CE1-CD1 4.02Å; Y103-L107 HydrophobicContact CE1-CD2 4.12Å; Y103-L107 HydrophobicContact CE2-CD1 3.57Å; Y103-L107 VanDerWaalsContact CZ-CD1 3.48Å; Y103-L107 PolarHBondContact O-N 2.7Å; R104-L107 VanDerWaalsContact NH2-CD2 3.33Å; R104-L107 PolarHBondContact O-N 3.48Å; L107-H109 PolarHBondContact O-N 3.03Å; L107-L110 HydrophobicContact CD1-CD1 4.41Å; L107-L110 WeakPolarHBondContact O-CB 3.27Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-L110 VanDerWaalsContact O-N 3.07Å; L107-H111 PolarHBondContact O-CD2 3.3Å; L107-H111 PolarHBondContact O-N 3.43Å; L107-H111 VanDerWaalsContact O-N 3.11Å |
| 108 | A | 84 | Confident | 73.4 | Confident | 61 Ų | 61 | 90.6 Ų | 90.6 | 50% | 0.504 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -55.6 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R104 H111 T112 | R104-A108 PolarHBondContact O-N 3.31Å; R104-A108 VanDerWaalsContact O-N 3.16Å; A108-H111 PolarHBondContact O-N 3Å; A108-T112 PolarHBondContact O-OG1 3.25Å |
| 109 | H | 84.7 | Confident | 71.9 | Confident | 49 Ų | 49 | 92.7 Ų | 92.7 | 23% | 0.227 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 176.3 | 175.2 | 79.2 | 0 | 0 | 0 | 113.5 | C96 T98 L100 G105 L106 L107 H111 T112 C113 | C96-H109 PolarHBondContact SG-CE1 2.76Å; C96-H109 PolarHBondContact SG-NE2 3.37Å; T98-H109 PolarHBondContact OG1-CE1 3.06Å; T98-H109 PolarHBondContact OG1-NE2 3.43Å; L100-H109 HydrophobicContact CD1-CB 3.51Å; G105-H109 WeakPolarHBondContact O-CB 3.09Å; G105-H109 PolarHBondContact O-N 2.72Å; L106-H109 CarbonylContact O-C 3.54Å; L106-H109 PolarHBondContact O-N 3.06Å; L107-H109 PolarHBondContact O-N 3.03Å; H109-H111 VanDerWaalsContact C-N 3.29Å; H109-H111 PolarHBondContact O-N 3.16Å; H109-T112 CarbonylContact O-C 3.56Å; H109-T112 PolarHBondContact O-N 2.8Å; H109-T112 VanDerWaalsContact O-N 3.14Å; H109-C113 WeakPolarHBondContact NE2-CB 3.36Å; H109-C113 WeakPolarHBondContact O-CB 3.38Å; H109-C113 PolarHBondContact O-N 3.11Å |
| 110 | L | 84.3 | Confident | 70.2 | Confident | 62 Ų | 62 | 94.6 Ų | 94.6 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 176 | -76.8 | 168 | 0 | 0 | 0 | 111.6 | L106 L107 T112 S114 | L106-L110 HydrophobicContact CD1-CD1 4.15Å; L106-L110 HydrophobicContact CD1-CD2 4.41Å; L106-L110 HydrophobicContact CD1-CG 3.96Å; L106-L110 HydrophobicContact CD2-CD1 4.17Å; L106-L110 HydrophobicContact CG-CD1 3.8Å; L106-L110 HydrophobicContact CG-CG 4.09Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.06Å; L106-L110 PolarHBondContact O-N 2.72Å; L107-L110 HydrophobicContact CD1-CD1 4.41Å; L107-L110 WeakPolarHBondContact O-CB 3.27Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-L110 VanDerWaalsContact O-N 3.07Å; L110-T112 PolarHBondContact O-N 3.27Å; L110-S114 VanDerWaalsContact O-CB 3.3Å; L110-S114 WeakPolarHBondContact O-CB 2.8Å; L110-S114 PolarHBondContact O-N 2.88Å; L110-S114 VanDerWaalsContact O-N 3.14Å; L110-S114 PolarHBondContact O-OG 2.93Å |
| 111 | H | 79.6 | Confident | 68.7 | Low | 144 Ų | 144 | 98.2 Ų | 98.2 | 67% | 0.667 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -29.3 | 175.4 | -70.9 | -73.3 | 0 | 0 | 0 | 112.5 | L107 A108 H109 S114 | L107-H111 PolarHBondContact O-CD2 3.3Å; L107-H111 PolarHBondContact O-N 3.43Å; L107-H111 VanDerWaalsContact O-N 3.11Å; A108-H111 PolarHBondContact O-N 3Å; H109-H111 VanDerWaalsContact C-N 3.29Å; H109-H111 PolarHBondContact O-N 3.16Å; H111-S114 PolarHBondContact O-OG 3.15Å |
| 112 | T | 84.4 | Confident | 66.7 | Low | 108 Ų | 108 | 97.2 Ų | 97.2 | 66% | 0.663 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -99.2 | -36.6 | 178.9 | -46.1 | 0 | 0 | 0 | 0 | 113.3 | A108 H109 L110 S114 | A108-T112 PolarHBondContact O-OG1 3.25Å; H109-T112 CarbonylContact O-C 3.56Å; H109-T112 PolarHBondContact O-N 2.8Å; H109-T112 VanDerWaalsContact O-N 3.14Å; L110-T112 PolarHBondContact O-N 3.27Å; T112-S114 VanDerWaalsContact C-N 3.34Å; T112-S114 PolarHBondContact O-N 3.32Å |
| 113 | C | 77.4 | Confident | 65 | Low | 9 Ų | 9 | 98.5 Ų | 98.5 | 6% | 0.061 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -78 | -14.1 | -178 | -179 | 0 | 0 | 0 | 0 | 113 | C93 C96 H109 K115 V116 | C93-C113 VanDerWaalsContact SG-SG 3.68Å; C96-C113 WeakPolarHBondContact CB-SG 3.43Å; C96-C113 WeakPolarHBondContact SG-CB 3.42Å; C96-C113 CovalentContact SG-SG 2.06Å; C96-C113 PolarHBondContact SG-SG 2.73Å; H109-C113 WeakPolarHBondContact NE2-CB 3.36Å; H109-C113 WeakPolarHBondContact O-CB 3.38Å; H109-C113 PolarHBondContact O-N 3.11Å; C113-K115 PolarHBondContact O-N 2.85Å; C113-K115 VanDerWaalsContact O-N 3.09Å; C113-V116 PolarHBondContact O-N 3.49Å |
| 114 | S | 67.9 | Low | 63.3 | Low | 79 Ų | 79 | 97.1 Ų | 97.1 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -12.3 | 175 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | L110 H111 T112 | L110-S114 VanDerWaalsContact O-CB 3.3Å; L110-S114 WeakPolarHBondContact O-CB 2.8Å; L110-S114 PolarHBondContact O-N 2.88Å; L110-S114 VanDerWaalsContact O-N 3.14Å; L110-S114 PolarHBondContact O-OG 2.93Å; H111-S114 PolarHBondContact O-OG 3.15Å; T112-S114 VanDerWaalsContact C-N 3.34Å; T112-S114 PolarHBondContact O-N 3.32Å |
| 115 | K | 58.5 | Low | 61 | Low | 180 Ų | 180 | 96.2 Ų | 96.2 | 78% | 0.783 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 4.9 | -176.2 | -62.1 | -170.9 | -177 | -167.2 | 0 | 115.3 | C113 P117 | C113-K115 PolarHBondContact O-N 2.85Å; C113-K115 VanDerWaalsContact O-N 3.09Å; K115-P117 WeakPolarHBondContact O-CD 3.04Å |
| 116 | V | 54 | Low | 58.8 | Low | 96 Ų | 96 | 100 Ų | 100 | 58% | 0.582 | 57% | 0.566 | S | S | * | * | trans | -111.4 | 105.7 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | C113 R118 | C113-V116 PolarHBondContact O-N 3.49Å; V116-R118 PolarHBondContact O-N 3.02Å | ||
| 117 | P | 49.2 | Very low | 56.2 | Low | 118 Ų | 118 | 105.3 Ų | 105.3 | 77% | 0.766 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.3 | 162 | -15.6 | 29.1 | 0 | 0 | 0 | 108.5 | K115 A119 | K115-P117 WeakPolarHBondContact O-CD 3.04Å; P117-A119 PolarHBondContact O-N 3.36Å |
| 118 | R | 47.8 | Very low | 54.1 | Low | 113 Ų | 113 | 107 Ų | 107 | 43% | 0.426 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -51.7 | 123.5 | -176.7 | -77.6 | -164 | 177.5 | 179.6 | 6.7 | 112.9 | E94 S95 R97 V116 | E94-R118 PolarHBondContact O-NH2 2.93Å; S95-R118 WeakPolarHBondContact O-CG 3.33Å; S95-R118 PolarHBondContact O-NE 3.35Å; R97-R118 VanDerWaalsContact CD-NH2 3.28Å; R97-R118 VanDerWaalsContact CG-NH2 3.29Å; R97-R118 VanDerWaalsContact CZ-NH2 3.25Å; R97-R118 VanDerWaalsContact NE-NH2 3.14Å; V116-R118 PolarHBondContact O-N 3.02Å |
| 119 | A | 45.4 | Very low | 52.2 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 125.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 108 | P117 | P117-A119 PolarHBondContact O-N 3.36Š|
| 120 | K | 43.3 | Very low | 49.8 | Very low | 189 Ų | 189 | 113 Ų | 113 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 137 | -179.7 | -64.7 | 173.1 | 176.6 | 174.9 | 0 | 110.3 | K122 | K120-K122 PolarHBondContact O-N 3.05Š|
| 121 | P | 44.2 | Very low | 47.4 | Very low | 115 Ų | 115 | 118 Ų | 118 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | trans | -64 | 108.6 | 159.7 | 26.5 | -28.8 | 0 | 0 | 0 | 107.1 | A123 | P121-A123 PolarHBondContact O-N 2.85Š| ||
| 122 | K | 30.1 | Very low | 45.1 | Very low | 183 Ų | 183 | 115.5 Ų | 115.5 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | trans | -67.6 | 104.6 | 174.2 | -173.8 | 157.5 | 178.2 | 180 | 0 | 107.4 | K120 | K120-K122 PolarHBondContact O-N 3.05Š| ||
| 123 | A | 33.9 | Very low | 42.4 | Very low | 83 Ų | 83 | 114.7 Ų | 114.7 | 69% | 0.686 | 69% | 0.69 | S | S | * | * | trans | -56 | 144.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P121 | P121-A123 PolarHBondContact O-N 2.85Š| ||
| 124 | A | 35 | Very low | 40.2 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | trans | 7.5 | 112.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116 | P126 | A124-P126 WeakPolarHBondContact O-CD 3.44Š| ||
| 125 | E | 29.9 | Very low | 38.5 | Very low | 160 Ų | 160 | 122 Ų | 122 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -83.4 | 120.1 | 158.6 | -171 | -154.7 | 120.7 | 0 | 0 | 108.6 | ||||
| 126 | P | 35.7 | Very low | 37.1 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | trans | -112.1 | 126.5 | 140.8 | 31.2 | -23.8 | 0 | 0 | 0 | 110.1 | A124 | A124-P126 WeakPolarHBondContact O-CD 3.44Š| ||
| 127 | T | 28.5 | Very low | 36.2 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 75.2 | 109.3 | 143 | -46.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 128 | A | 39 | Very low | 35.6 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -61.2 | 172.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 129 | P | 43.4 | Very low | 35 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -153.5 | -178.2 | 34.3 | 34.2 | -6.8 | 0 | 0 | 0 | 119.3 | ||||
| 130 | V | 34.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | 102.1 | 105.1 | 150.2 | -164.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 131 | L | 33.8 | Very low | 34.1 | Very low | 166 Ų | 166 | 119.2 Ų | 119.2 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | 24.8 | 147.8 | 128.1 | -49.1 | 176.3 | 0 | 0 | 0 | 119.4 | |||||
| 132 | A | 30.1 | Very low | 33.6 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | cis | -172.7 | 155.8 | -3.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 133 | A | 29.3 | Very low | 33.4 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 156.5 | 110 | 141.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 134 | V | 30.7 | Very low | 33.3 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | 32.3 | 127.7 | 136.5 | -71.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 135 | A | 32.1 | Very low | 33 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | 159.7 | 99.6 | 125.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 136 | A | 29.3 | Very low | 33.2 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | 57 | 100.9 | 93.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 137 | S | 34.4 | Very low | 33.1 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -161 | 108.7 | 143.5 | -78.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 138 | N | 36.3 | Very low | 33.9 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -101.3 | 132.8 | 179.9 | -156.7 | 15.6 | 0 | 0 | 0 | 107.3 | ||||
| 139 | S | 34.7 | Very low | 34.2 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -112.6 | 120.6 | 168.2 | 42.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 140 | A | 36.9 | Very low | 33.5 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -55.7 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 141 | P | 34.5 | Very low | 33.4 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -135.6 | 171.7 | 16.1 | 37.4 | -16.4 | 0 | 0 | 0 | 117 | ||||
| 142 | R | 32.7 | Very low | 33.2 | Very low | 241 Ų | 241 | 130.4 Ų | 130.4 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -112.3 | 145.2 | 163.9 | -78 | -156.3 | 164.7 | -150.5 | -3.5 | 109.6 | ||||
| 143 | T | 27.3 | Very low | 33.1 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -166.4 | 126.8 | 137.5 | 38.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 144 | S | 30.7 | Very low | 33.3 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 57.3 | 139.8 | 149.4 | -49.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 145 | E | 28.1 | Very low | 33.5 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | cis | -175.3 | 148.4 | 40.5 | -169.2 | 168 | 93.5 | 0 | 0 | 111.7 | ||||
| 146 | L | 34.5 | Very low | 34.4 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 56.6 | 101.1 | 157.9 | -93.1 | 81.5 | 0 | 0 | 0 | 124.5 | ||||
| 147 | A | 33.1 | Very low | 34.6 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | 52.5 | 165.1 | 111.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 148 | P | 45.3 | Very low | 34.6 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -125.7 | -155.9 | -111.4 | 34.8 | -8.5 | 0 | 0 | 0 | 111.2 | |||||
| 149 | P | 45.9 | Very low | 34.5 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | cis | -153.1 | -179 | 17.9 | 42.5 | -17.3 | 0 | 0 | 0 | 120.9 | ||||
| 150 | Q | 28.8 | Very low | 35 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | 73.7 | 122.2 | 155.8 | -46.8 | -51.3 | -5.6 | 0 | 0 | 120 | ||||
| 151 | L | 32.9 | Very low | 34.9 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | -153.5 | 130.2 | 95.2 | -79 | -172.9 | 0 | 0 | 0 | 111 | |||||
| 152 | E | 28.8 | Very low | 35 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -55.2 | 139.1 | 178.7 | -141.9 | 78.7 | 69 | 0 | 0 | 113.3 | ||||
| 153 | S | 29.3 | Very low | 34.9 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -145.5 | 106.9 | 153.6 | -163.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 154 | V | 33.8 | Very low | 35.1 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -79.6 | 111.3 | 174.9 | 140.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 155 | S | 34.2 | Very low | 35.1 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | 27.9 | 171.9 | 121.3 | -128.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 156 | P | 50.2 | Low | 35.7 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | -131.3 | -165.5 | -100.3 | 40.2 | -19.1 | 0 | 0 | 0 | 113.9 | |||||
| 157 | Q | 33.7 | Very low | 36.4 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | trans | 105.2 | 139.4 | 169.9 | -60.4 | 162.5 | 94.9 | 0 | 0 | 112.9 | ||||
| 158 | Q | 35.2 | Very low | 36.4 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | cis | -164.6 | 146.9 | 23.6 | -140.9 | 155.7 | -50.2 | 0 | 0 | 108.7 | ||||
| 159 | A | 34.8 | Very low | 35.7 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | -78.9 | 172.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 160 | P | 43.5 | Very low | 35.5 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | cis | -153 | -177.7 | 45.5 | 32.2 | -4.8 | 0 | 0 | 0 | 117.5 | ||||
| 161 | I | 35.8 | Very low | 36.2 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | 67.6 | 136.2 | 152.2 | 44.2 | -177.6 | 0 | 0 | 0 | 117.9 | ||||
| 162 | Q | 37.2 | Very low | 36.6 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | cis | -171.7 | 146.6 | 30.8 | -134.6 | 174 | 136.1 | 0 | 0 | 112.1 | ||||
| 163 | T | 30 | Very low | 37.8 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | trans | 64.3 | 122.3 | 135.5 | 34.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 164 | T | 30.3 | Very low | 37.8 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 58.8 | 143.4 | 135.5 | 31.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 165 | S | 32.1 | Very low | 38 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | cis | -174.7 | 144 | 22.3 | 30.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 166 | V | 41 | Very low | 38 | Very low | 133 Ų | 133 | 122 Ų | 122 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 163.9 | 154.2 | -68.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 167 | P | 48.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | -142 | 157.8 | 90.1 | 33.5 | -15.7 | 0 | 0 | 0 | 115.8 | |||||
| 168 | S | 32.4 | Very low | 38.7 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -59 | 151.7 | 162.7 | -164.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 169 | A | 31.6 | Very low | 39.5 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | 174.7 | 130.6 | 128.5 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 170 | V | 41.4 | Very low | 39.4 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -88 | 145.5 | 157.7 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 171 | P | 44.4 | Very low | 39.2 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | -144.8 | 143.6 | 113.3 | 27.2 | -6.5 | 0 | 0 | 0 | 114.7 | |||||
| 172 | V | 40.2 | Very low | 39.2 | Very low | 127 Ų | 127 | 121 Ų | 121 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -81.9 | 164.2 | 150.5 | -87.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 173 | P | 54.2 | Low | 40 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -152.4 | -173.6 | 36.6 | 37.8 | -12.9 | 0 | 0 | 0 | 117.9 | ||||
| 174 | D | 29.6 | Very low | 40.9 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 121.6 | 117.1 | 137.1 | -141 | -106.9 | 0 | 0 | 0 | 121.2 | ||||
| 175 | S | 36.9 | Very low | 41.1 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | 66.2 | 130 | 140.6 | -63.7 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 176 | A | 34.2 | Very low | 41.4 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 92.8 | 122.3 | 133.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 177 | D | 35.8 | Very low | 40.9 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -72.4 | -171.8 | 170.3 | -82.8 | -84.2 | 0 | 0 | 0 | 115.3 | ||||
| 178 | P | 63.4 | Low | 40.4 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | -123.6 | -169 | -75 | 42.4 | -22.6 | 0 | 0 | 0 | 110.7 | |||||
| 179 | P | 51.8 | Low | 40.5 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | -159.3 | -177.8 | 76.8 | 39.5 | -16 | 0 | 0 | 0 | 116.4 | |||||
| 180 | G | 33.3 | Very low | 40.4 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 155.9 | 99.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 181 | L | 38.8 | Very low | 40.3 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 98% | 0.979 | 82% | 0.818 | S | S | * | * | trans | -79.6 | 159.6 | -175.5 | -66 | 160.8 | 0 | 0 | 0 | 115.4 | ||||
| 182 | G | 36.1 | Very low | 40.4 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 164.8 | 117.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 183 | P | 54.8 | Low | 40.8 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 155.2 | 173.3 | 37.1 | -28.4 | 0 | 0 | 0 | 112 | ||
| 184 | P | 48.1 | Very low | 39.6 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95 | 141.1 | 165.5 | 33.3 | -26.4 | 0 | 0 | 0 | 112.3 | ||
| 185 | M | 35.3 | Very low | 39.8 | Very low | 173 Ų | 173 | 133 Ų | 133 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 155.8 | -173.1 | -76.2 | -126.3 | 66.7 | 0 | 0 | 115.7 | ||
| 186 | L | 36.8 | Very low | 39.7 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 137.5 | 158.4 | -66.7 | 165.1 | 0 | 0 | 0 | 111.1 | ||
| 187 | S | 32.3 | Very low | 39.6 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -110.8 | 111.7 | 158.7 | -88.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 188 | L | 36.3 | Very low | 39.3 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 130.3 | 161.5 | -148.4 | 82.7 | 0 | 0 | 0 | 107.3 | ||||
| 189 | Q | 34.9 | Very low | 37.7 | Very low | 198 Ų | 198 | 138 Ų | 138 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -140.6 | 122.6 | 156.7 | -157.8 | 128.9 | 33.2 | 0 | 0 | 112.1 | ||||
| 190 | E | 30.3 | Very low | 37.5 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -64.5 | 147.9 | -172.6 | -158.2 | 157.5 | 89.8 | 0 | 0 | 115.1 | ||||
| 191 | V | 39.4 | Very low | 37.9 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -75.2 | 161 | 165 | -151.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 192 | P | 45.6 | Very low | 37.5 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -157.8 | -161.5 | 94.6 | 45.5 | -23.4 | 0 | 0 | 0 | 113.5 | |||||
| 193 | P | 49.3 | Very low | 37.5 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | -135.5 | -170.4 | -100.5 | 38.9 | -16.2 | 0 | 0 | 0 | 116.7 | |||||
| 194 | S | 29 | Very low | 36.8 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | 82 | 141.3 | 158.4 | -65.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 195 | Q | 34.5 | Very low | 36.2 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -171.5 | 145.7 | 6.9 | -112.1 | 172.4 | 59 | 0 | 0 | 109.1 | ||||
| 196 | R | 34.5 | Very low | 36.1 | Very low | 219 Ų | 219 | 140.9 Ų | 140.9 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | 49.9 | 145.4 | 131.8 | -125.3 | -177.9 | 176.9 | 154.4 | -0.7 | 119.1 | ||||
| 197 | V | 31.9 | Very low | 35.8 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 58% | 0.582 | 76% | 0.76 | S | S | * | * | cis | -167.4 | 157.1 | 34.7 | -155.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 198 | E | 29.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | 59.7 | 131.2 | 142.6 | -116.1 | 96.5 | 90.3 | 0 | 0 | 123.6 | ||||
| 199 | A | 28.2 | Very low | 35.7 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -90 | -158.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 200 | P | 47.6 | Very low | 35.6 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | -101.4 | -153 | -86.4 | 35.4 | -15.1 | 0 | 0 | 0 | 108.8 | |||||
| 201 | P | 42.4 | Very low | 35.8 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | cis | -148.9 | -167.4 | 13.1 | 31.6 | -2.2 | 0 | 0 | 0 | 116.5 | ||||
| 202 | Q | 30 | Very low | 35.5 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | 82.4 | 112.9 | 154 | -51.2 | -67 | -31.6 | 0 | 0 | 119.7 | ||||
| 203 | S | 36.5 | Very low | 34.8 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -58.1 | 152.9 | 151.9 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 204 | P | 41 | Very low | 34.1 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | -149.6 | 140.9 | 111.1 | 25.6 | -4.3 | 0 | 0 | 0 | 116.8 | |||||
| 205 | L | 34.4 | Very low | 34.4 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 5.4 | 132.3 | 144.6 | -57.3 | 169.5 | 0 | 0 | 0 | 118.7 | ||||
| 206 | R | 34.1 | Very low | 34.3 | Very low | 217 Ų | 217 | 133.9 Ų | 133.9 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | 165.7 | 151 | 96.7 | 62.6 | -158.9 | 75.3 | -163.6 | 6.8 | 115.1 | |||||
| 207 | D | 30.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -16.2 | 145.2 | 175.3 | -69.3 | -88.6 | 0 | 0 | 0 | 123 | ||||
| 208 | T | 32.5 | Very low | 35.8 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | -176.8 | 122 | 104.9 | 26.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 209 | A | 33.3 | Very low | 36 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 64.5 | 124.1 | 131.1 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 210 | A | 33.1 | Very low | 36.3 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | 74.3 | 135.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 211 | K | 34.6 | Very low | 36.7 | Very low | 180 Ų | 180 | 135 Ų | 135 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | cis | -173.2 | 144.7 | 36.2 | -141 | 178.4 | 175.8 | -176.9 | 0 | 110.2 | ||||
| 212 | L | 32.2 | Very low | 36.1 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 64.1 | 139.8 | 152.3 | -68.8 | 149.5 | 0 | 0 | 0 | 118.4 | ||||
| 213 | A | 31.6 | Very low | 36.1 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -162.9 | 165 | 2.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 214 | A | 34.8 | Very low | 35.9 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | 82.5 | 74.4 | 162 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 215 | S | 35.4 | Very low | 35.6 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | 0.3 | 149.2 | 114.4 | -67.3 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 216 | F | 32.5 | Very low | 35.5 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | cis | -165.9 | 179.5 | -3.6 | -110.1 | -59.3 | 0 | 0 | 0 | 106.8 | ||||
| 217 | R | 42.3 | Very low | 35.6 | Very low | 236 Ų | 236 | 132.9 Ų | 132.9 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -95.6 | -177.6 | -151.5 | -105.4 | -169.5 | -177.4 | -147.7 | 4.1 | 114.1 | ||||
| 218 | P | 55.5 | Low | 35.6 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -98.2 | 172.9 | -156.4 | 41.5 | -35.2 | 0 | 0 | 0 | 113.3 | ||||
| 219 | I | 33.2 | Very low | 35.8 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -162 | 135.6 | 157.4 | -86.4 | 128.6 | 0 | 0 | 0 | 109.2 | ||||
| 220 | A | 35.2 | Very low | 36.2 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -79.5 | -169.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 221 | P | 54.4 | Low | 36.4 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -136.8 | -173.1 | -9.3 | 30.4 | -5.7 | 0 | 0 | 0 | 114.5 | ||||
| 222 | K | 31.4 | Very low | 36.7 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | 109.5 | 114.1 | 151.5 | -64.3 | -171.4 | 172.7 | 178.3 | 0 | 120.4 | ||||
| 223 | A | 29.9 | Very low | 37 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | 75 | 145.7 | 125.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 224 | A | 31.8 | Very low | 37.2 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 76.1 | 138.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 225 | S | 34.2 | Very low | 37.6 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | cis | -169.4 | 154.9 | -1.2 | -91.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 226 | D | 32.6 | Very low | 38.2 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 41.5 | 115.1 | 140.7 | -84.7 | -72.2 | 0 | 0 | 0 | 122 | ||||
| 227 | L | 35.4 | Very low | 38.6 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | 167.6 | 152.4 | 93.6 | -98.8 | 151.9 | 0 | 0 | 0 | 113.1 | |||||
| 228 | A | 32.7 | Very low | 38.5 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -79.6 | 159.3 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 229 | A | 35 | Very low | 37.8 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -112.9 | 137.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 230 | P | 42.9 | Very low | 38.2 | Very low | 127 Ų | 127 | 115 Ų | 115 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -101.5 | 141.1 | 173.9 | 35.2 | -27.8 | 0 | 0 | 0 | 113.8 | ||||
| 231 | G | 36.8 | Very low | 39 | Very low | 71 Ų | 71 | 117.3 Ų | 117.3 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 43.6 | 154.1 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 232 | S | 40.4 | Very low | 38.2 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | cis | -173.7 | 141.8 | -2.5 | -74.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 233 | A | 38.9 | Very low | 39.1 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | 160.6 | 156.7 | 92.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 234 | A | 36.7 | Very low | 39.7 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 57% | 0.57 | 78% | 0.777 | S | S | * | * | cis | -175 | 131 | -16 | 0 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 235 | Y | 43.3 | Very low | 40.4 | Very low | 224 Ų | 224 | 129.1 Ų | 129.1 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | 165.6 | 162.2 | 104.2 | -90.4 | -63.6 | 0 | 0 | 0 | 109.6 | |||||
| 236 | P | 47.8 | Very low | 40.6 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | -110.2 | 141.6 | -120.9 | 37.5 | -28.7 | 0 | 0 | 0 | 114 | S238 | P236-S238 PolarHBondContact O-N 2.97Š| |||
| 237 | A | 40.4 | Very low | 41.2 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -66.4 | 121.6 | 159 | 0 | 0 | 0 | 0 | 0 | 108.6 | S239 | A237-S239 PolarHBondContact O-N 3.41Š| ||
| 238 | S | 39.4 | Very low | 41.5 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -51.7 | 111.5 | 173.8 | -86.5 | 0 | 0 | 0 | 0 | 110.6 | P236 A240 | P236-S238 PolarHBondContact O-N 2.97Å; S238-A240 PolarHBondContact O-N 2.91Å | ||
| 239 | S | 42.2 | Very low | 41.8 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -71.4 | 78.3 | 166.5 | 45.6 | 0 | 0 | 0 | 0 | 109.6 | A237 V241 | A237-S239 PolarHBondContact O-N 3.41Å; S239-V241 VanDerWaalsContact C-N 3.27Å; S239-V241 PolarHBondContact O-N 3.27Å | ||
| 240 | A | 41.2 | Very low | 42.3 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 58% | 0.579 | 78% | 0.781 | S | S | * | * | trans | -71 | 94.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | S238 W242 | S238-A240 PolarHBondContact O-N 2.91Å; A240-W242 VanDerWaalsContact C-N 3.28Å; A240-W242 PolarHBondContact O-N 2.93Å | ||
| 241 | V | 50.8 | Low | 42.6 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | -69.8 | 94.5 | 163.6 | 179 | 0 | 0 | 0 | 0 | 106.1 | S239 R243 | S239-V241 VanDerWaalsContact C-N 3.27Å; S239-V241 PolarHBondContact O-N 3.27Å; V241-R243 PolarHBondContact O-N 3.23Å | ||
| 242 | W | 38.3 | Very low | 43.5 | Very low | 230 Ų | 230 | 132.7 Ų | 132.7 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | trans | -64.6 | 105.4 | 169.2 | -68 | 70.8 | 0 | 0 | 0 | 106.9 | A240 K244 | A240-W242 VanDerWaalsContact C-N 3.28Å; A240-W242 PolarHBondContact O-N 2.93Å; W242-K244 PolarHBondContact O-N 2.91Å | ||
| 243 | R | 50.4 | Low | 44.8 | Very low | 216 Ų | 216 | 137.1 Ų | 137.1 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | trans | -67.3 | 91.9 | 166.7 | -171.5 | -177.3 | -72.6 | -111.5 | 2.5 | 107.2 | V241 N245 | V241-R243 PolarHBondContact O-N 3.23Å; R243-N245 PolarHBondContact O-N 2.84Å | ||
| 244 | K | 41.8 | Very low | 45.9 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | trans | -63.5 | 97.1 | 168.5 | -169.8 | 179.4 | -173.8 | 178.1 | 0 | 107.3 | W242 Q246 | W242-K244 PolarHBondContact O-N 2.91Å; K244-Q246 HydrophobicContact CG-CB 4.19Å; K244-Q246 PolarHBondContact O-N 3.03Å | ||
| 245 | N | 47.3 | Very low | 47.5 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -71.7 | 82.8 | 160 | -72.2 | -40.8 | 0 | 0 | 0 | 106.6 | R243 A247 | R243-N245 PolarHBondContact O-N 2.84Å; N245-A247 PolarHBondContact O-N 3.21Å | ||
| 246 | Q | 39.4 | Very low | 49 | Very low | 146 Ų | 146 | 127.4 Ų | 127.4 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | trans | -70.5 | 111.2 | 173.2 | -161.1 | 166.7 | 33.9 | 0 | 0 | 107.5 | K244 | K244-Q246 HydrophobicContact CG-CB 4.19Å; K244-Q246 PolarHBondContact O-N 3.03Å | ||
| 247 | A | 43.6 | Very low | 50.4 | Low | 90 Ų | 90 | 127.6 Ų | 127.6 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | trans | 34.3 | 98.3 | 153 | 0 | 0 | 0 | 0 | 0 | 117.8 | N245 | N245-A247 PolarHBondContact O-N 3.21Š| ||
| 248 | V | 42 | Very low | 52.2 | Low | 144 Ų | 144 | 127.5 Ų | 127.5 | 87% | 0.873 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -125.8 | 109.4 | 133.3 | -83.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 249 | S | 38.9 | Very low | 53.8 | Low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | trans | 69 | 113.7 | 160.3 | -141.4 | 0 | 0 | 0 | 0 | 118.1 | H251 | S249-H251 PolarHBondContact O-N 3.14Š| ||
| 250 | S | 46.4 | Very low | 54.9 | Low | 133 Ų | 133 | 131.3 Ų | 131.3 | 93% | 0.93 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -62.3 | 64.4 | 170.4 | -55.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 251 | H | 49.6 | Very low | 56.4 | Low | 107 Ų | 107 | 129.8 Ų | 129.8 | 50% | 0.495 | 65% | 0.645 | S | S | . | * | trans | -165.8 | 102 | 161 | -156.1 | -174.8 | 0 | 0 | 0 | 111.1 | S249 | S249-H251 PolarHBondContact O-N 3.14Š| ||
| 252 | R | 54.6 | Low | 57.9 | Low | 145 Ų | 145 | 131 Ų | 131 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | trans | -176.9 | 65.4 | 152.6 | -97.7 | 149.8 | -159.2 | -111.4 | 13.9 | 108.7 | N283 H287 | R252-N283 VanDerWaalsContact CZ-CG 3.48Å; R252-N283 VanDerWaalsContact NH1-CG 3.35Å; R252-N283 PolarHBondContact NH1-ND2 3.5Å; R252-N283 PolarHBondContact NH1-OD1 3.47Å; R252-N283 PolarHBondContact NH2-ND2 3.43Å; R252-N283 PolarHBondContact NH2-OD1 2.95Å; R252-H287 PolarHBondContact NE-NE2 3.32Å; R252-H287 PolarHBondContact NH2-CD2 3.14Å; R252-H287 PolarHBondContact NH2-NE2 3.44Å | ||
| 253 | R | 67.7 | Low | 60.2 | Low | 217 Ų | 217 | 121.3 Ų | 121.3 | 82% | 0.819 | 60% | 0.598 | S | S | * | * | trans | -62.2 | 136.9 | 154.2 | -174.2 | 174.4 | -68.5 | -175.6 | 0.1 | 105.8 | L255 | R253-L255 WeakPolarHBondContact O-CG 3.45Å; R253-L255 PolarHBondContact O-N 2.92Å | ||
| 254 | V | 61.5 | Low | 62 | Low | 105 Ų | 105 | 112.4 Ų | 112.4 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | trans | -58.9 | 110.5 | -180 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | W256 | V254-W256 HydrophobicContact CG1-CD2 4.08Å; V254-W256 HydrophobicContact CG1-CG 4.36Å; V254-W256 HydrophobicContact CG1-CZ2 4.37Å | ||
| 255 | L | 70.7 | Confident | 64.2 | Low | 27 Ų | 27 | 105.1 Ų | 105.1 | 14% | 0.141 | 54% | 0.536 | C | S | . | . | trans | -96.9 | 19.5 | -174.6 | -72.9 | 168.5 | 0 | 0 | 0 | 112.8 | R253 V266 Q267 I282 | R253-L255 WeakPolarHBondContact O-CG 3.45Å; R253-L255 PolarHBondContact O-N 2.92Å; L255-V266 WeakPolarHBondContact O-CB 3.32Å; L255-V266 WeakPolarHBondContact O-CG2 3.36Å; L255-V266 PolarHBondContact O-N 3.24Å; L255-Q267 HydrophobicContact CD1-CG 4.36Å; L255-Q267 HydrophobicContact CD2-CG 3.91Å; L255-I282 HydrophobicContact CB-CD1 3.92Å; L255-I282 HydrophobicContact CB-CG1 4.37Å; L255-I282 HydrophobicContact CB-CG2 4.35Å; L255-I282 HydrophobicContact CD1-CG2 3.73Å | ||
| 256 | W | 74.6 | Confident | 66 | Low | 57 Ų | 57 | 102.7 Ų | 102.7 | 22% | 0.216 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.8 | -179.5 | 54.5 | -98.7 | 0 | 0 | 0 | 112.8 | V254 H258 Y263 T264 R275 M278 I282 | V254-W256 HydrophobicContact CG1-CD2 4.08Å; V254-W256 HydrophobicContact CG1-CG 4.36Å; V254-W256 HydrophobicContact CG1-CZ2 4.37Å; W256-H258 HydrophobicContact CE3-CB 4.47Å; W256-H258 HydrophobicContact CZ3-CB 4.08Å; W256-Y263 AromaticContact CD2-CD1 3.95Å; W256-Y263 HydrophobicContact CD2-CD1 3.95Å; W256-Y263 AromaticContact CE3-CD1 3.42Å; W256-Y263 HydrophobicContact CE3-CD1 3.42Å; W256-Y263 VanDerWaalsContact CE3-CD1 3.42Å; W256-Y263 AromaticContact CE3-CE1 3.92Å; W256-Y263 HydrophobicContact CE3-CE1 3.92Å; W256-Y263 HydrophobicContact CH2-CD1 4.02Å; W256-Y263 AromaticContact CH2-CE1 3.66Å; W256-Y263 HydrophobicContact CH2-CE1 3.66Å; W256-Y263 HydrophobicContact CZ2-CD1 4.48Å; W256-Y263 HydrophobicContact CZ2-CE1 4.34Å; W256-Y263 AromaticContact CZ3-CD1 3.47Å; W256-Y263 HydrophobicContact CZ3-CD1 3.47Å; W256-Y263 VanDerWaalsContact CZ3-CD1 3.47Å; W256-Y263 AromaticContact CZ3-CE1 3.43Å; W256-Y263 HydrophobicContact CZ3-CE1 3.43Å; W256-Y263 VanDerWaalsContact CZ3-CE1 3.43Å; W256-T264 CarbonylContact C-O 3.5Å; W256-T264 WeakPolarHBondContact CA-O 3.44Å; W256-T264 VanDerWaalsContact CB-O 3.31Å; W256-T264 WeakPolarHBondContact CB-O 3.48Å; W256-R275 HydrophobicContact CH2-CG 4.41Å; W256-R275 HydrophobicContact CZ2-CG 4.01Å; W256-M278 HydrophobicContact CB-CG 3.55Å; W256-M278 HydrophobicContact CB-SD 4.16Å; W256-M278 HydrophobicContact CG-CG 3.7Å; W256-I282 HydrophobicContact CB-CD1 4.23Å; W256-I282 HydrophobicContact CG-CD1 4.27Å |
| 257 | E | 77.9 | Confident | 67.9 | Low | 114 Ų | 114 | 101.2 Ų | 101.2 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 147.7 | 174.9 | -177 | -179.2 | 176 | 0 | 0 | 109.9 | T259 Y263 T264 | E257-T259 HydrophobicContact CG-CG2 4.32Å; E257-Y263 CarbonylContact O-C 3.48Å; E257-Y263 VanDerWaalsContact O-CA 3.29Å; E257-Y263 WeakPolarHBondContact O-CA 3.21Å; E257-T264 PolarHBondContact N-O 3.09Å; E257-T264 PolarHBondContact O-N 3.44Å |
| 258 | H | 77.4 | Confident | 69.9 | Low | 97 Ų | 97 | 100.1 Ų | 100.1 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 102.3 | 178.3 | 178.6 | -94.4 | 0 | 0 | 0 | 111.1 | W256 G261 R262 Y263 | W256-H258 HydrophobicContact CE3-CB 4.47Å; W256-H258 HydrophobicContact CZ3-CB 4.08Å; H258-G261 PolarHBondContact NE2-N 3.44Å; H258-R262 WeakPolarHBondContact CA-O 3.33Å; H258-Y263 HydrophobicContact CB-CD1 4.5Å; H258-Y263 HydrophobicContact CB-CE1 4.47Å; H258-Y263 AromaticContact CD2-CE1 3.69Å; H258-Y263 AromaticContact CD2-CE2 3.85Å; H258-Y263 AromaticContact CD2-CZ 3.56Å |
| 259 | T | 73.6 | Confident | 71.9 | Confident | 66 Ų | 66 | 95.7 Ų | 95.7 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 104.8 | 175.4 | 44.2 | 0 | 0 | 0 | 0 | 108.9 | E257 G261 R262 | E257-T259 HydrophobicContact CG-CG2 4.32Å; T259-G261 PolarHBondContact O-N 3.27Å; T259-R262 PolarHBondContact N-O 3.34Å; T259-R262 PolarHBondContact O-N 3.18Å; T259-R262 VanDerWaalsContact O-N 3.11Å |
| 260 | R | 65.9 | Low | 74.1 | Confident | 246 Ų | 246 | 94.4 Ų | 94.4 | 93% | 0.928 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 49.4 | 166.5 | -51.7 | 177 | 77.1 | 112.6 | -1.7 | 115.2 | ||
| 261 | G | 72.9 | Confident | 76.1 | Confident | 39 Ų | 39 | 91.8 Ų | 91.8 | 40% | 0.402 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 6.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H258 T259 | H258-G261 PolarHBondContact NE2-N 3.44Å; T259-G261 PolarHBondContact O-N 3.27Å |
| 262 | R | 80.9 | Confident | 77.9 | Confident | 155 Ų | 155 | 88.3 Ų | 88.3 | 59% | 0.585 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.3 | 168.2 | -65 | -178.1 | -121.6 | -131.1 | 1.5 | 109.6 | H258 T259 L272 T273 | H258-R262 WeakPolarHBondContact CA-O 3.33Å; T259-R262 PolarHBondContact N-O 3.34Å; T259-R262 PolarHBondContact O-N 3.18Å; T259-R262 VanDerWaalsContact O-N 3.11Å; R262-L272 CarbonylContact C-O 3.56Å; R262-L272 WeakPolarHBondContact CA-O 3.36Å; R262-T273 HydrophobicContact CG-CG2 4.07Å |
| 263 | Y | 87.5 | Confident | 79.4 | Confident | 27 Ų | 27 | 86.2 Ų | 86.2 | 11% | 0.106 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.1 | 173.8 | -62.7 | -93.6 | 0 | 0 | 0 | 107.4 | W256 E257 H258 T271 L272 T273 R275 M278 | W256-Y263 AromaticContact CD2-CD1 3.95Å; W256-Y263 HydrophobicContact CD2-CD1 3.95Å; W256-Y263 AromaticContact CE3-CD1 3.42Å; W256-Y263 HydrophobicContact CE3-CD1 3.42Å; W256-Y263 VanDerWaalsContact CE3-CD1 3.42Å; W256-Y263 AromaticContact CE3-CE1 3.92Å; W256-Y263 HydrophobicContact CE3-CE1 3.92Å; W256-Y263 HydrophobicContact CH2-CD1 4.02Å; W256-Y263 AromaticContact CH2-CE1 3.66Å; W256-Y263 HydrophobicContact CH2-CE1 3.66Å; W256-Y263 HydrophobicContact CZ2-CD1 4.48Å; W256-Y263 HydrophobicContact CZ2-CE1 4.34Å; W256-Y263 AromaticContact CZ3-CD1 3.47Å; W256-Y263 HydrophobicContact CZ3-CD1 3.47Å; W256-Y263 VanDerWaalsContact CZ3-CD1 3.47Å; W256-Y263 AromaticContact CZ3-CE1 3.43Å; W256-Y263 HydrophobicContact CZ3-CE1 3.43Å; W256-Y263 VanDerWaalsContact CZ3-CE1 3.43Å; E257-Y263 CarbonylContact O-C 3.48Å; E257-Y263 VanDerWaalsContact O-CA 3.29Å; E257-Y263 WeakPolarHBondContact O-CA 3.21Å; H258-Y263 HydrophobicContact CB-CD1 4.5Å; H258-Y263 HydrophobicContact CB-CE1 4.47Å; H258-Y263 AromaticContact CD2-CE1 3.69Å; H258-Y263 AromaticContact CD2-CE2 3.85Å; H258-Y263 AromaticContact CD2-CZ 3.56Å; Y263-T271 CarbonylContact O-C 3.54Å; Y263-T271 VanDerWaalsContact O-CA 3.29Å; Y263-T271 WeakPolarHBondContact O-CA 3.43Å; Y263-L272 WeakPolarHBondContact CA-O 3.28Å; Y263-L272 WeakPolarHBondContact CB-O 3.2Å; Y263-L272 PolarHBondContact N-O 3.37Å; Y263-L272 PolarHBondContact O-N 2.84Å; Y263-T273 WeakPolarHBondContact CE2-O 3.29Å; Y263-R275 HydrophobicContact CD1-CB 4.38Å; Y263-R275 HydrophobicContact CE1-CB 3.75Å; Y263-R275 HydrophobicContact CE1-CG 3.94Å; Y263-R275 HydrophobicContact CE2-CB 4.07Å; Y263-M278 HydrophobicContact CG-CB 4.39Å; Y263-M278 WeakPolarHBondContact O-CE 3.12Å |
| 264 | T | 88.6 | Confident | 80.3 | Confident | 28 Ų | 28 | 78.8 Ų | 78.8 | 17% | 0.172 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.7 | 178.4 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | W256 E257 V266 H270 T271 | W256-T264 CarbonylContact C-O 3.5Å; W256-T264 WeakPolarHBondContact CA-O 3.44Å; W256-T264 VanDerWaalsContact CB-O 3.31Å; W256-T264 WeakPolarHBondContact CB-O 3.48Å; E257-T264 PolarHBondContact N-O 3.09Å; E257-T264 PolarHBondContact O-N 3.44Å; T264-V266 PolarHBondContact O-N 3.48Å; T264-H270 CarbonylContact C-O 3.48Å; T264-H270 WeakPolarHBondContact CA-O 3.26Å; T264-T271 HydrophobicContact CG2-CG2 3.47Å; T264-T271 VanDerWaalsContact CG2-CG2 3.47Å |
| 265 | C | 87.2 | Confident | 81.4 | Confident | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.014 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.4 | 176.5 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | Q267 C268 G269 H270 M278 H281 H286 | C265-Q267 PolarHBondContact O-N 2.7Å; C265-C268 VanDerWaalsContact SG-SG 3.62Å; C265-G269 WeakPolarHBondContact O-CA 3.47Å; C265-G269 PolarHBondContact O-N 2.87Å; C265-H270 HydrophobicContact CB-CB 4.2Å; C265-H270 PolarHBondContact N-O 3.44Å; C265-M278 HydrophobicContact CB-CE 4.1Å; C265-M278 HydrophobicContact CB-SD 3.69Å; C265-H281 WeakPolarHBondContact CB-NE2 3.17Å; C265-H281 PolarHBondContact SG-NE2 2.82Å; C265-H281 VanDerWaalsContact SG-NE2 3.39Å; C265-H286 PolarHBondContact SG-NE2 3.44Å |
| 266 | V | 84.7 | Confident | 82.1 | Confident | 98 Ų | 98 | 87.3 Ų | 87.3 | 59% | 0.594 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -22.9 | -178.2 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | L255 T264 | L255-V266 WeakPolarHBondContact O-CB 3.32Å; L255-V266 WeakPolarHBondContact O-CG2 3.36Å; L255-V266 PolarHBondContact O-N 3.24Å; T264-V266 PolarHBondContact O-N 3.48Å |
| 267 | Q | 80.4 | Confident | 82.7 | Confident | 115 Ų | 115 | 88.5 Ų | 88.5 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -27.5 | -175.8 | -65.9 | -72.8 | 20.4 | 0 | 0 | 114 | L255 C265 H286 | L255-Q267 HydrophobicContact CD1-CG 4.36Å; L255-Q267 HydrophobicContact CD2-CG 3.91Å; C265-Q267 PolarHBondContact O-N 2.7Å; Q267-H286 WeakPolarHBondContact CB-NE2 3.32Å |
| 268 | C | 85.5 | Confident | 83.1 | Confident | 68 Ų | 68 | 83.1 Ų | 83.1 | 46% | 0.459 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 3.1 | -176.8 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | C265 H270 H281 H286 | C265-C268 VanDerWaalsContact SG-SG 3.62Å; C268-H270 PolarHBondContact O-N 2.93Å; C268-H281 PolarHBondContact SG-CE1 3.27Å; C268-H281 PolarHBondContact SG-NE2 2.93Å; C268-H286 PolarHBondContact SG-NE2 3.01Å; C268-H286 VanDerWaalsContact SG-NE2 3.37Å |
| 269 | G | 83.9 | Confident | 83.4 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | trans | 73.4 | 1.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C265 T271 | C265-G269 WeakPolarHBondContact O-CA 3.47Å; C265-G269 PolarHBondContact O-N 2.87Å; G269-T271 WeakPolarHBondContact O-CG2 3.45Å; G269-T271 PolarHBondContact O-N 3.45Å | ||
| 270 | H | 84 | Confident | 84.1 | Confident | 86 Ų | 86 | 84 Ų | 84 | 40% | 0.398 | 42% | 0.423 | S | S | . | . | trans | -62.4 | 132 | -177.1 | -168.8 | 65.4 | 0 | 0 | 0 | 111.9 | T264 C265 C268 L272 M278 H281 | T264-H270 CarbonylContact C-O 3.48Å; T264-H270 WeakPolarHBondContact CA-O 3.26Å; C265-H270 HydrophobicContact CB-CB 4.2Å; C265-H270 PolarHBondContact N-O 3.44Å; C268-H270 PolarHBondContact O-N 2.93Å; H270-L272 WeakPolarHBondContact NE2-CD2 3.05Å; H270-M278 WeakPolarHBondContact O-CE 3.49Å; H270-H281 AromaticContact CD2-CE1 3.93Å; H270-H281 AromaticContact CD2-ND1 3.67Å; H270-H281 AromaticContact CG-CE1 3.92Å | ||
| 271 | T | 88.8 | Confident | 85.1 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.2 | -175.4 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | Y263 T264 G269 | Y263-T271 CarbonylContact O-C 3.54Å; Y263-T271 VanDerWaalsContact O-CA 3.29Å; Y263-T271 WeakPolarHBondContact O-CA 3.43Å; T264-T271 HydrophobicContact CG2-CG2 3.47Å; T264-T271 VanDerWaalsContact CG2-CG2 3.47Å; G269-T271 WeakPolarHBondContact O-CG2 3.45Å; G269-T271 PolarHBondContact O-N 3.45Å |
| 272 | L | 86.7 | Confident | 85.6 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 18% | 0.183 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 151.5 | 179.9 | -66.5 | 168.3 | 0 | 0 | 0 | 110.5 | R262 Y263 H270 E277 M278 H281 | R262-L272 CarbonylContact C-O 3.56Å; R262-L272 WeakPolarHBondContact CA-O 3.36Å; Y263-L272 WeakPolarHBondContact CA-O 3.28Å; Y263-L272 WeakPolarHBondContact CB-O 3.2Å; Y263-L272 PolarHBondContact N-O 3.37Å; Y263-L272 PolarHBondContact O-N 2.84Å; H270-L272 WeakPolarHBondContact NE2-CD2 3.05Å; L272-E277 HydrophobicContact CD1-CB 3.94Å; L272-M278 HydrophobicContact CB-CE 4.04Å; L272-M278 HydrophobicContact CD1-CB 4.41Å; L272-M278 HydrophobicContact CD1-CE 4.02Å; L272-M278 HydrophobicContact CG-CE 4.12Å; L272-H281 HydrophobicContact CD1-CB 4.12Å |
| 273 | T | 87.7 | Confident | 85.7 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -87 | -14.7 | 179.1 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | R262 Y263 | R262-T273 HydrophobicContact CG-CG2 4.07Å; Y263-T273 WeakPolarHBondContact CE2-O 3.29Å |
| 274 | N | 86.6 | Confident | 85.4 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 33% | 0.326 | 38% | 0.375 | S | S | . | . | trans | -114.4 | 129.9 | -174.7 | -173.7 | -12.4 | 0 | 0 | 0 | 112 | K276 E277 M278 | N274-K276 VanDerWaalsContact C-N 3.31Å; N274-K276 PolarHBondContact O-N 3.42Å; N274-K276 PolarHBondContact OD1-N 3.11Å; N274-E277 HydrophobicContact CB-CB 4.14Å; N274-E277 VanDerWaalsContact CB-CD 3.48Å; N274-E277 HydrophobicContact CB-CG 3.95Å; N274-E277 WeakPolarHBondContact CB-OE1 3.34Å; N274-E277 PolarHBondContact ND2-OE1 3.21Å; N274-E277 PolarHBondContact O-N 3.23Å; N274-M278 PolarHBondContact O-N 3.45Å | ||
| 275 | R | 84.1 | Confident | 84.7 | Confident | 139 Ų | 139 | 74.6 Ų | 74.6 | 53% | 0.525 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 177.8 | -174.3 | -176.6 | -67.3 | -157 | -2.7 | 112.9 | W256 Y263 E277 M278 T279 | W256-R275 HydrophobicContact CH2-CG 4.41Å; W256-R275 HydrophobicContact CZ2-CG 4.01Å; Y263-R275 HydrophobicContact CD1-CB 4.38Å; Y263-R275 HydrophobicContact CE1-CB 3.75Å; Y263-R275 HydrophobicContact CE1-CG 3.94Å; Y263-R275 HydrophobicContact CE2-CB 4.07Å; R275-E277 VanDerWaalsContact C-N 3.35Å; R275-M278 PolarHBondContact O-N 3.14Å; R275-T279 WeakPolarHBondContact O-CB 3.22Å; R275-T279 PolarHBondContact O-N 3.43Å; R275-T279 PolarHBondContact O-OG1 3.27Å |
| 276 | K | 85.6 | Confident | 84.3 | Confident | 171 Ų | 171 | 76.4 Ų | 76.4 | 74% | 0.743 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.8 | -43.1 | -176.2 | -68.4 | -176.1 | 179.7 | -178.8 | 0 | 110.3 | N274 T279 Q280 | N274-K276 VanDerWaalsContact C-N 3.31Å; N274-K276 PolarHBondContact O-N 3.42Å; N274-K276 PolarHBondContact OD1-N 3.11Å; K276-T279 PolarHBondContact O-N 2.75Å; K276-Q280 PolarHBondContact O-N 2.92Å |
| 277 | E | 85.9 | Confident | 83.3 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 176.5 | -66.1 | 164.9 | -152.2 | 0 | 0 | 111.3 | L272 N274 R275 T279 Q280 H281 | L272-E277 HydrophobicContact CD1-CB 3.94Å; N274-E277 HydrophobicContact CB-CB 4.14Å; N274-E277 VanDerWaalsContact CB-CD 3.48Å; N274-E277 HydrophobicContact CB-CG 3.95Å; N274-E277 WeakPolarHBondContact CB-OE1 3.34Å; N274-E277 PolarHBondContact ND2-OE1 3.21Å; N274-E277 PolarHBondContact O-N 3.23Å; R275-E277 VanDerWaalsContact C-N 3.35Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.3Å; E277-Q280 PolarHBondContact O-N 3.14Å; E277-H281 WeakPolarHBondContact O-CB 3.15Å; E277-H281 PolarHBondContact O-N 3.45Å |
| 278 | M | 87.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 174.4 | -178.2 | 51.2 | 67.3 | 0 | 0 | 112.3 | W256 Y263 C265 H270 L272 N274 R275 Q280 H281 I282 | W256-M278 HydrophobicContact CB-CG 3.55Å; W256-M278 HydrophobicContact CB-SD 4.16Å; W256-M278 HydrophobicContact CG-CG 3.7Å; Y263-M278 HydrophobicContact CG-CB 4.39Å; Y263-M278 WeakPolarHBondContact O-CE 3.12Å; C265-M278 HydrophobicContact CB-CE 4.1Å; C265-M278 HydrophobicContact CB-SD 3.69Å; H270-M278 WeakPolarHBondContact O-CE 3.49Å; L272-M278 HydrophobicContact CB-CE 4.04Å; L272-M278 HydrophobicContact CD1-CB 4.41Å; L272-M278 HydrophobicContact CD1-CE 4.02Å; L272-M278 HydrophobicContact CG-CE 4.12Å; N274-M278 PolarHBondContact O-N 3.45Å; R275-M278 PolarHBondContact O-N 3.14Å; M278-Q280 VanDerWaalsContact C-N 3.35Å; M278-H281 PolarHBondContact O-N 2.95Å; M278-I282 HydrophobicContact CG-CD1 4.14Å; M278-I282 WeakPolarHBondContact O-CD1 3.19Å; M278-I282 WeakPolarHBondContact O-CG1 3.5Å; M278-I282 PolarHBondContact O-N 3.07Å; M278-I282 HydrophobicContact SD-CD1 4.15Å; M278-I282 HydrophobicContact SD-CG1 4.37Å |
| 279 | T | 84.6 | Confident | 80.8 | Confident | 47 Ų | 47 | 78.3 Ų | 78.3 | 29% | 0.288 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 177.3 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | R275 K276 E277 N283 | R275-T279 WeakPolarHBondContact O-CB 3.22Å; R275-T279 PolarHBondContact O-N 3.43Å; R275-T279 PolarHBondContact O-OG1 3.27Å; K276-T279 PolarHBondContact O-N 2.75Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.3Å; T279-N283 PolarHBondContact O-N 3.19Å; T279-N283 VanDerWaalsContact O-N 3.14Å; T279-N283 PolarHBondContact O-ND2 2.8Å; T279-N283 PolarHBondContact O-OD1 3.16Å |
| 280 | Q | 86.6 | Confident | 79 | Confident | 135 Ų | 135 | 84.9 Ų | 84.9 | 63% | 0.631 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.1 | -42 | 174.1 | -177.1 | 177.3 | 11.2 | 0 | 0 | 112.1 | K276 E277 M278 I282 N283 S284 | K276-Q280 PolarHBondContact O-N 2.92Å; E277-Q280 PolarHBondContact O-N 3.14Å; M278-Q280 VanDerWaalsContact C-N 3.35Å; Q280-I282 VanDerWaalsContact C-N 3.35Å; Q280-I282 PolarHBondContact O-N 3.33Å; Q280-N283 PolarHBondContact O-N 2.84Å; Q280-N283 VanDerWaalsContact O-N 3.14Å; Q280-S284 WeakPolarHBondContact O-CB 3.49Å; Q280-S284 PolarHBondContact O-N 3.06Å; Q280-S284 PolarHBondContact O-OG 3.29Å |
| 281 | H | 87.3 | Confident | 77.3 | Confident | 26 Ų | 26 | 91.4 Ų | 91.4 | 12% | 0.12 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -55.9 | -48.8 | 174.5 | 163.8 | 80.5 | 0 | 0 | 0 | 110.9 | C265 C268 H270 L272 E277 M278 N283 S284 Q285 H286 | C265-H281 WeakPolarHBondContact CB-NE2 3.17Å; C265-H281 PolarHBondContact SG-NE2 2.82Å; C265-H281 VanDerWaalsContact SG-NE2 3.39Å; C268-H281 PolarHBondContact SG-CE1 3.27Å; C268-H281 PolarHBondContact SG-NE2 2.93Å; H270-H281 AromaticContact CD2-CE1 3.93Å; H270-H281 AromaticContact CD2-ND1 3.67Å; H270-H281 AromaticContact CG-CE1 3.92Å; L272-H281 HydrophobicContact CD1-CB 4.12Å; E277-H281 WeakPolarHBondContact O-CB 3.15Å; E277-H281 PolarHBondContact O-N 3.45Å; M278-H281 PolarHBondContact O-N 2.95Å; H281-N283 VanDerWaalsContact C-N 3.28Å; H281-N283 PolarHBondContact O-N 2.89Å; H281-S284 PolarHBondContact O-N 3.02Å; H281-S284 PolarHBondContact O-OG 2.88Å; H281-S284 VanDerWaalsContact O-OG 3.13Å; H281-Q285 VanDerWaalsContact O-CB 3.28Å; H281-Q285 WeakPolarHBondContact O-CB 3.45Å; H281-Q285 WeakPolarHBondContact O-CG 3.26Å; H281-Q285 PolarHBondContact O-N 2.99Å; H281-H286 AromaticContact NE2-NE2 3.65Å |
| 282 | I | 83.6 | Confident | 74.9 | Confident | 14 Ų | 14 | 90.9 Ų | 90.9 | 7% | 0.072 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 177.3 | -67.5 | 158.7 | 0 | 0 | 0 | 111.7 | L255 W256 M278 Q280 S284 H286 H287 | L255-I282 HydrophobicContact CB-CD1 3.92Å; L255-I282 HydrophobicContact CB-CG1 4.37Å; L255-I282 HydrophobicContact CB-CG2 4.35Å; L255-I282 HydrophobicContact CD1-CG2 3.73Å; W256-I282 HydrophobicContact CB-CD1 4.23Å; W256-I282 HydrophobicContact CG-CD1 4.27Å; M278-I282 HydrophobicContact CG-CD1 4.14Å; M278-I282 WeakPolarHBondContact O-CD1 3.19Å; M278-I282 WeakPolarHBondContact O-CG1 3.5Å; M278-I282 PolarHBondContact O-N 3.07Å; M278-I282 HydrophobicContact SD-CD1 4.15Å; M278-I282 HydrophobicContact SD-CG1 4.37Å; Q280-I282 VanDerWaalsContact C-N 3.35Å; Q280-I282 PolarHBondContact O-N 3.33Å; I282-S284 VanDerWaalsContact C-N 3.34Å; I282-S284 PolarHBondContact O-N 3.16Å; I282-H286 HydrophobicContact CG2-CB 4.46Å; I282-H286 CarbonylContact O-C 3.49Å; I282-H286 WeakPolarHBondContact O-CA 3.24Å; I282-H286 WeakPolarHBondContact O-CB 3.41Å; I282-H286 PolarHBondContact O-N 3.41Å; I282-H287 PolarHBondContact O-N 2.72Å |
| 283 | N | 83.2 | Confident | 73 | Confident | 52 Ų | 52 | 97.8 Ų | 97.8 | 28% | 0.278 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.9 | -18.2 | -178.3 | -57.6 | -20.6 | 0 | 0 | 0 | 114.4 | R252 T279 Q280 H281 H287 | R252-N283 VanDerWaalsContact CZ-CG 3.48Å; R252-N283 VanDerWaalsContact NH1-CG 3.35Å; R252-N283 PolarHBondContact NH1-ND2 3.5Å; R252-N283 PolarHBondContact NH1-OD1 3.47Å; R252-N283 PolarHBondContact NH2-ND2 3.43Å; R252-N283 PolarHBondContact NH2-OD1 2.95Å; T279-N283 PolarHBondContact O-N 3.19Å; T279-N283 VanDerWaalsContact O-N 3.14Å; T279-N283 PolarHBondContact O-ND2 2.8Å; T279-N283 PolarHBondContact O-OD1 3.16Å; Q280-N283 PolarHBondContact O-N 2.84Å; Q280-N283 VanDerWaalsContact O-N 3.14Å; H281-N283 VanDerWaalsContact C-N 3.28Å; H281-N283 PolarHBondContact O-N 2.89Å; N283-H287 WeakPolarHBondContact O-CB 3.3Å |
| 284 | S | 81.6 | Confident | 71 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -98.4 | -39.5 | 177.2 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | Q280 H281 I282 | Q280-S284 WeakPolarHBondContact O-CB 3.49Å; Q280-S284 PolarHBondContact O-N 3.06Å; Q280-S284 PolarHBondContact O-OG 3.29Å; H281-S284 PolarHBondContact O-N 3.02Å; H281-S284 PolarHBondContact O-OG 2.88Å; H281-S284 VanDerWaalsContact O-OG 3.13Å; I282-S284 VanDerWaalsContact C-N 3.34Å; I282-S284 PolarHBondContact O-N 3.16Å |
| 285 | Q | 74.6 | Confident | 68.9 | Low | 131 Ų | 131 | 103.4 Ų | 103.4 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -96.9 | -22.8 | -172.3 | -58.6 | -60.2 | -23.8 | 0 | 0 | 114 | H281 | H281-Q285 VanDerWaalsContact O-CB 3.28Å; H281-Q285 WeakPolarHBondContact O-CB 3.45Å; H281-Q285 WeakPolarHBondContact O-CG 3.26Å; H281-Q285 PolarHBondContact O-N 2.99Å |
| 286 | H | 78.1 | Confident | 66.7 | Low | 39 Ų | 39 | 99.8 Ų | 99.8 | 18% | 0.181 | 55% | 0.546 | C | S | . | . | S | Bend | trans | -124.4 | 2.6 | -175 | -59.4 | -56.3 | 0 | 0 | 0 | 114.2 | C265 Q267 C268 H281 I282 G288 | C265-H286 PolarHBondContact SG-NE2 3.44Å; Q267-H286 WeakPolarHBondContact CB-NE2 3.32Å; C268-H286 PolarHBondContact SG-NE2 3.01Å; C268-H286 VanDerWaalsContact SG-NE2 3.37Å; H281-H286 AromaticContact NE2-NE2 3.65Å; I282-H286 HydrophobicContact CG2-CB 4.46Å; I282-H286 CarbonylContact O-C 3.49Å; I282-H286 WeakPolarHBondContact O-CA 3.24Å; I282-H286 WeakPolarHBondContact O-CB 3.41Å; I282-H286 PolarHBondContact O-N 3.41Å; H286-G288 PolarHBondContact O-N 2.82Å |
| 287 | H | 64.3 | Low | 64.9 | Low | 102 Ų | 102 | 99.2 Ų | 99.2 | 47% | 0.472 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | 8.4 | -176.5 | -135.8 | -86.4 | 0 | 0 | 0 | 113.6 | R252 I282 N283 | R252-H287 PolarHBondContact NE-NE2 3.32Å; R252-H287 PolarHBondContact NH2-CD2 3.14Å; R252-H287 PolarHBondContact NH2-NE2 3.44Å; I282-H287 PolarHBondContact O-N 2.72Å; N283-H287 WeakPolarHBondContact O-CB 3.3Å |
| 288 | G | 59.1 | Low | 62.6 | Low | 67 Ų | 67 | 101.8 Ų | 101.8 | 69% | 0.691 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.1 | 0.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | H286 K290 | H286-G288 PolarHBondContact O-N 2.82Å; G288-K290 PolarHBondContact O-N 2.93Å |
| 289 | N | 53 | Low | 60.7 | Low | 152 Ų | 152 | 107.7 Ų | 107.7 | 81% | 0.813 | 61% | 0.607 | S | S | * | * | trans | -84.8 | 87.6 | 178.2 | -123.1 | 51.1 | 0 | 0 | 0 | 110.7 | ||||
| 290 | K | 46.8 | Very low | 59.1 | Low | 188 Ų | 188 | 111.2 Ų | 111.2 | 82% | 0.817 | 63% | 0.631 | S | S | * | * | trans | -53.5 | 137.4 | 146.7 | -70.4 | -166.6 | 172.6 | -175.9 | 0 | 107.4 | G288 G292 | G288-K290 PolarHBondContact O-N 2.93Å; K290-G292 PolarHBondContact O-N 3Å | ||
| 291 | F | 47.9 | Very low | 57.1 | Low | 223 Ų | 223 | 114.5 Ų | 114.5 | 98% | 0.978 | 64% | 0.643 | S | S | * | * | trans | -50.7 | 111.4 | 163.5 | -87.3 | -101.4 | 0 | 0 | 0 | 108.1 | ||||
| 292 | G | 39.6 | Very low | 55.1 | Low | 67 Ų | 67 | 122 Ų | 122 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | trans | -118.1 | 114 | 167 | 0 | 0 | 0 | 0 | 0 | 106.8 | K290 | K290-G292 PolarHBondContact O-N 3Š| ||
| 293 | E | 45.9 | Very low | 53.7 | Low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -39.3 | 151.5 | 166.3 | -103.6 | 167.5 | 78.9 | 0 | 0 | 114.5 | ||||
| 294 | E | 46.6 | Very low | 52.2 | Low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 46.1 | 107.6 | 139.7 | -67.3 | -72.9 | 123.3 | 0 | 0 | 118.4 | ||||
| 295 | A | 41.9 | Very low | 50.5 | Low | 105 Ų | 105 | 134.6 Ų | 134.6 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -151.6 | 104.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 296 | G | 37.7 | Very low | 49.1 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | 81.3 | 90.5 | 116.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | T298 | G296-T298 PolarHBondContact O-N 3.05Š| |||
| 297 | I | 46.8 | Very low | 47.3 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 82% | 0.821 | 81% | 0.813 | S | S | * | * | trans | -18.6 | 121.1 | 139.1 | -61.3 | 151.1 | 0 | 0 | 0 | 112.6 | ||||
| 298 | T | 38.5 | Very low | 46.2 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -140.3 | 98.5 | 143.6 | 34.5 | 0 | 0 | 0 | 0 | 109 | G296 | G296-T298 PolarHBondContact O-N 3.05Š| ||
| 299 | V | 47.1 | Very low | 45.3 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 75% | 0.745 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 125.4 | 160.3 | 173.6 | 0 | 0 | 0 | 0 | 106.7 | K301 | V299-K301 PolarHBondContact O-N 3.38Š|
| 300 | P | 51.7 | Low | 44.7 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 79% | 0.786 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 119.9 | 171.1 | 28.6 | -30.5 | 0 | 0 | 0 | 109.1 | ||
| 301 | K | 44 | Very low | 44.5 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 89% | 0.891 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 118.4 | 171.9 | -169 | 156 | 178.6 | 161.8 | 0 | 108.5 | V299 | V299-K301 PolarHBondContact O-N 3.38Š|
| 302 | S | 46.2 | Very low | 44.2 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 100% | 1.287 | 84% | 0.84 | S | S | * | * | trans | -78.1 | 0 | 159.3 | -54.9 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 302 of 302 residues in 36.4 ms
(Link to these results)