| 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 | 43.4 | Very low | 47.8 | Very low | 243 Ų | 243 | 157.6 Ų | 157.6 | 100% | 1.197 | 85% | 0.853 | S | S | * | * | 0 | 104.5 | 0 | -143.5 | 167 | -178.1 | 0 | 0 | 106.3 | |||||
| 2 | M | 51.8 | Low | 47.4 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | trans | -96.6 | 130.7 | -178 | -67.5 | -64.7 | -178.8 | 0 | 0 | 109 | S4 | M2-S4 PolarHBondContact O-N 3.24Š| ||
| 3 | P | 48.4 | Very low | 47.5 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 71% | 0.714 | 84% | 0.835 | S | S | * | * | trans | -75.1 | 125.8 | 177.9 | 28 | -30.5 | 0 | 0 | 0 | 111.4 | N5 | P3-N5 PolarHBondContact O-N 3.48Š| ||
| 4 | S | 52.8 | Low | 47.6 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -79.8 | 88.9 | -177.7 | -16 | 0 | 0 | 0 | 0 | 111 | M2 | M2-S4 PolarHBondContact O-N 3.24Š| ||
| 5 | N | 48.4 | Very low | 47.7 | Very low | 146 Ų | 146 | 157.5 Ų | 157.5 | 78% | 0.781 | 83% | 0.831 | S | S | * | * | trans | -115.1 | 31.6 | 176.9 | -70.9 | -26.2 | 0 | 0 | 0 | 113.9 | P3 R7 | P3-N5 PolarHBondContact O-N 3.48Å; N5-R7 PolarHBondContact O-N 2.96Å | ||
| 6 | L | 51.7 | Low | 48.2 | Very low | 173 Ų | 173 | 152 Ų | 152 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -78.5 | 69.1 | 166.2 | -80.2 | 153.6 | 0 | 0 | 0 | 110 | ||||
| 7 | R | 44 | Very low | 48.6 | Very low | 243 Ų | 243 | 153.7 Ų | 153.7 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -123.2 | 68.5 | 164.3 | -165.8 | 179.7 | -166.5 | -164.9 | 3.1 | 109 | N5 | N5-R7 PolarHBondContact O-N 2.96Š| ||
| 8 | T | 53.6 | Low | 49 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -87.5 | 118.6 | 165.1 | -8.7 | 0 | 0 | 0 | 0 | 107.5 | R10 | T8-R10 PolarHBondContact O-N 3.31Å; T8-R10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | G | 40.7 | Very low | 49.7 | Very low | 78 Ų | 78 | 145.7 Ų | 145.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -48.4 | 112.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 10 | R | 42.4 | Very low | 50.5 | Low | 234 Ų | 234 | 144.3 Ų | 144.3 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -77.3 | 118.4 | 158.9 | -167.3 | 175 | -172.4 | 167 | 1.4 | 106.1 | T8 T12 | T8-R10 PolarHBondContact O-N 3.31Å; T8-R10 VanDerWaalsContact O-N 3.13Å; R10-T12 PolarHBondContact O-N 3Å | ||
| 11 | A | 48.4 | Very low | 51.9 | Low | 86 Ų | 86 | 139.2 Ų | 139.2 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -50.1 | 114.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | V13 | A11-V13 PolarHBondContact O-N 2.94Š| ||
| 12 | T | 42.8 | Very low | 53.9 | Low | 137 Ų | 137 | 133.8 Ų | 133.8 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | trans | -70.3 | 86.3 | 169.6 | 24.6 | 0 | 0 | 0 | 0 | 106.6 | R10 R14 | R10-T12 PolarHBondContact O-N 3Å; T12-R14 VanDerWaalsContact C-N 3.34Å; T12-R14 PolarHBondContact O-N 2.98Å | ||
| 13 | V | 49.4 | Very low | 55.9 | Low | 104 Ų | 104 | 129.5 Ų | 129.5 | 63% | 0.63 | 70% | 0.699 | S | S | * | * | trans | -58.1 | 106.8 | 161.5 | 179.9 | 0 | 0 | 0 | 0 | 104.8 | A11 H15 | A11-V13 PolarHBondContact O-N 2.94Å; V13-H15 PolarHBondContact O-N 3.2Å | ||
| 14 | R | 48.5 | Very low | 58.1 | Low | 225 Ų | 225 | 124.6 Ų | 124.6 | 85% | 0.849 | 67% | 0.666 | S | S | * | * | trans | -52.5 | 120.9 | 167.3 | -71.6 | -176.7 | 174.6 | -179.7 | -0.7 | 105.2 | T12 S16 | T12-R14 VanDerWaalsContact C-N 3.34Å; T12-R14 PolarHBondContact O-N 2.98Å; R14-S16 PolarHBondContact O-N 2.98Å | ||
| 15 | H | 49.5 | Very low | 59.9 | Low | 163 Ų | 163 | 121.5 Ų | 121.5 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | trans | -63.1 | 77.1 | 165.6 | -94.7 | 15.8 | 0 | 0 | 0 | 106.9 | V13 Q17 | V13-H15 PolarHBondContact O-N 3.2Å; H15-Q17 PolarHBondContact O-N 2.92Å | ||
| 16 | S | 55.8 | Low | 61.9 | Low | 69 Ų | 69 | 117.9 Ų | 117.9 | 48% | 0.483 | 63% | 0.625 | S | S | . | * | trans | -60.4 | 125.5 | 154.2 | 51 | 0 | 0 | 0 | 0 | 105.1 | R14 M18 | R14-S16 PolarHBondContact O-N 2.98Å; S16-M18 PolarHBondContact O-N 2.99Å | ||
| 17 | Q | 55.1 | Low | 63.6 | Low | 181 Ų | 181 | 111.4 Ų | 111.4 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | trans | -29.2 | 102.5 | -177.6 | -73.1 | 170.4 | -82 | 0 | 0 | 111 | H15 D19 | H15-Q17 PolarHBondContact O-N 2.92Å; Q17-D19 PolarHBondContact O-N 3.13Å; Q17-D19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | M | 55.5 | Low | 65.7 | Low | 116 Ų | 116 | 102.1 Ų | 102.1 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | trans | -69.2 | 111 | 172.5 | -84.6 | 179.9 | 139.4 | 0 | 0 | 105.9 | S16 S20 | S16-M18 PolarHBondContact O-N 2.99Å; M18-S20 PolarHBondContact O-N 2.76Å | ||
| 19 | D | 62 | Low | 67.3 | Low | 40 Ų | 40 | 97.6 Ų | 97.6 | 21% | 0.214 | 55% | 0.546 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 121.7 | 177.8 | -152.2 | -13.2 | 0 | 0 | 0 | 109.1 | Q17 S21 N25 V28 S31 | Q17-D19 PolarHBondContact O-N 3.13Å; Q17-D19 VanDerWaalsContact O-N 3.13Å; D19-S21 VanDerWaalsContact C-N 3.34Å; D19-S21 WeakPolarHBondContact OD1-CA 3.12Å; D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 2.87Å; D19-N25 PolarHBondContact OD2-ND2 2.9Å; D19-V28 HydrophobicContact CB-CG1 3.76Å; D19-S31 PolarHBondContact O-OG 2.71Å; D19-S31 VanDerWaalsContact O-OG 3.11Å |
| 20 | S | 65 | Low | 69.3 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 82% | 0.818 | 52% | 0.518 | S | S | * | . | trans | -96.7 | 6.6 | 166.9 | 63 | 0 | 0 | 0 | 0 | 111.3 | M18 | M18-S20 PolarHBondContact O-N 2.76Š| ||
| 21 | S | 80.6 | Confident | 71.1 | Confident | 38 Ų | 38 | 86.6 Ų | 86.6 | 27% | 0.266 | 49% | 0.492 | S | S | . | . | trans | -66.8 | 145.3 | 172.8 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | D19 E23 | D19-S21 VanDerWaalsContact C-N 3.34Å; D19-S21 WeakPolarHBondContact OD1-CA 3.12Å; D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 2.87Å; S21-E23 VanDerWaalsContact OG-CB 3.32Å; S21-E23 WeakPolarHBondContact OG-CB 3.48Å; S21-E23 PolarHBondContact OG-N 2.96Å | ||
| 22 | N | 86.4 | Confident | 72.7 | Confident | 129 Ų | 129 | 88.7 Ų | 88.7 | 69% | 0.69 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -79.5 | -3.6 | 167 | -60.5 | -49 | 0 | 0 | 0 | 111.4 | Y37 D41 | N22-Y37 WeakPolarHBondContact O-CD1 2.94Å; N22-D41 WeakPolarHBondContact O-CB 3.35Å |
| 23 | E | 92.7 | Very high | 74.6 | Confident | 85 Ų | 85 | 94.2 Ų | 94.2 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -87.6 | 145.7 | 179.8 | -60.8 | 173.7 | -173.2 | 0 | 0 | 112.4 | S21 N25 Y37 D41 | S21-E23 VanDerWaalsContact OG-CB 3.32Å; S21-E23 WeakPolarHBondContact OG-CB 3.48Å; S21-E23 PolarHBondContact OG-N 2.96Å; E23-N25 PolarHBondContact O-N 2.94Å; E23-Y37 WeakPolarHBondContact O-CE1 3.44Å; E23-D41 WeakPolarHBondContact CA-O 3.27Å; E23-D41 HydrophobicContact CG-CB 4.42Å |
| 24 | Y | 93.9 | Very high | 76.4 | Confident | 8 Ų | 8 | 96.5 Ų | 96.5 | 3% | 0.031 | 50% | 0.5 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 112.2 | 168.2 | 176.1 | -100.4 | 0 | 0 | 0 | 109.9 | P26 Y37 D41 I42 L44 V81 D84 Y85 | Y24-P26 HydrophobicContact CD1-CG 4.39Å; Y24-P26 HydrophobicContact CE1-CG 3.88Å; Y24-Y37 HydrophobicContact CD2-CD2 4.33Å; Y24-Y37 AromaticContact CD2-CE2 3.69Å; Y24-Y37 HydrophobicContact CD2-CE2 3.69Å; Y24-Y37 AromaticContact CD2-CZ 3.84Å; Y24-Y37 HydrophobicContact CG-CE2 4.41Å; Y24-D41 PolarHBondContact N-O 2.87Å; Y24-I42 HydrophobicContact CD1-CG2 4.2Å; Y24-I42 HydrophobicContact CG-CG2 4.49Å; Y24-L44 HydrophobicContact CD1-CD1 4.2Å; Y24-L44 HydrophobicContact CD1-CG 4.14Å; Y24-L44 HydrophobicContact CE1-CD1 3.72Å; Y24-L44 HydrophobicContact CE1-CD2 4.16Å; Y24-L44 HydrophobicContact CE1-CG 3.95Å; Y24-V81 HydrophobicContact CD2-CG1 3.88Å; Y24-V81 HydrophobicContact CE1-CG1 4.46Å; Y24-V81 HydrophobicContact CE2-CG1 3.62Å; Y24-V81 HydrophobicContact CG-CG1 4.41Å; Y24-D84 VanDerWaalsContact CE1-OD2 3.27Å; Y24-D84 WeakPolarHBondContact CE1-OD2 3.45Å; Y24-D84 VanDerWaalsContact CZ-OD2 3.31Å; Y24-D84 PolarHBondContact OH-OD2 2.78Å; Y24-Y85 PolarHBondContact OH-N 2.71Å |
| 25 | N | 91.5 | Very high | 78.3 | Confident | 52 Ų | 52 | 89.4 Ų | 89.4 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | trans | -108.6 | 108.7 | 178.5 | -73 | -54.9 | 0 | 0 | 0 | 110.9 | D19 E23 G27 V28 | D19-N25 PolarHBondContact OD2-ND2 2.9Å; E23-N25 PolarHBondContact O-N 2.94Å; N25-G27 PolarHBondContact O-N 3.06Å; N25-V28 HydrophobicContact CB-CB 4.08Å; N25-V28 HydrophobicContact CB-CG2 3.86Å; N25-V28 WeakPolarHBondContact O-CB 3.42Å; N25-V28 PolarHBondContact O-N 3Å; N25-V28 VanDerWaalsContact O-N 3.1Å | ||
| 26 | P | 91.2 | Very high | 80.4 | Confident | 69 Ų | 69 | 86.2 Ų | 86.2 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 135.2 | 177 | -26.3 | 33.7 | 0 | 0 | 0 | 112.1 | Y24 V28 L44 | Y24-P26 HydrophobicContact CD1-CG 4.39Å; Y24-P26 HydrophobicContact CE1-CG 3.88Å; P26-V28 PolarHBondContact O-N 3.05Å; P26-L44 HydrophobicContact CG-CD2 3.93Å |
| 27 | G | 87.6 | Confident | 82.2 | Confident | 37 Ų | 37 | 85.6 Ų | 85.6 | 38% | 0.381 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -5.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N25 S88 | N25-G27 PolarHBondContact O-N 3.06Å; G27-S88 WeakPolarHBondContact CA-O 3.49Å; G27-S88 PolarHBondContact N-OG 2.91Å |
| 28 | V | 87.8 | Confident | 84.1 | Confident | 48 Ų | 48 | 83.3 Ų | 83.3 | 29% | 0.291 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 120.9 | 176.3 | -169.9 | 0 | 0 | 0 | 0 | 109.6 | D19 N25 P26 | D19-V28 HydrophobicContact CB-CG1 3.76Å; N25-V28 HydrophobicContact CB-CB 4.08Å; N25-V28 HydrophobicContact CB-CG2 3.86Å; N25-V28 WeakPolarHBondContact O-CB 3.42Å; N25-V28 PolarHBondContact O-N 3Å; N25-V28 VanDerWaalsContact O-N 3.1Å; P26-V28 PolarHBondContact O-N 3.05Å |
| 29 | A | 85.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 81.1 Ų | 81.1 | 27% | 0.273 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 130.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V89 | A29-V89 HydrophobicContact CB-CG1 4.14Š|
| 30 | P | 84.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 83 Ų | 83 | 22% | 0.221 | 46% | 0.462 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 142.9 | 178 | 26.9 | -34.2 | 0 | 0 | 0 | 110.1 | Q32 I35 | P30-Q32 PolarHBondContact O-N 3.41Å; P30-I35 HydrophobicContact CB-CB 4.31Å; P30-I35 HydrophobicContact CB-CD1 3.81Å; P30-I35 HydrophobicContact CB-CG2 4.05Å; P30-I35 HydrophobicContact CG-CG2 4.2Å |
| 31 | S | 79.7 | Confident | 89.1 | Confident | 48 Ų | 48 | 78.8 Ų | 78.8 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -64.5 | -21.5 | 179.3 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | D19 | D19-S31 PolarHBondContact O-OG 2.71Å; D19-S31 VanDerWaalsContact O-OG 3.11Å |
| 32 | Q | 82.5 | Confident | 89.9 | Confident | 129 Ų | 129 | 77.6 Ų | 77.6 | 60% | 0.603 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -114 | 149.3 | 179.3 | -60.6 | -178.2 | -10.5 | 0 | 0 | 111.2 | P30 L34 | P30-Q32 PolarHBondContact O-N 3.41Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 WeakPolarHBondContact CB-O 3.43Å; Q32-L34 PolarHBondContact O-N 2.86Å |
| 33 | R | 82.5 | Confident | 90.4 | Very high | 254 Ų | 254 | 76.8 Ų | 76.8 | 96% | 0.958 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -67.2 | -31.6 | 178 | -68.9 | -174.1 | 177.8 | -151.3 | -0.5 | 113.3 | ||
| 34 | L | 87.4 | Confident | 90.6 | Very high | 151 Ų | 151 | 73.4 Ų | 73.4 | 79% | 0.791 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -116.9 | 127.1 | 175.9 | -62.8 | 176.9 | 0 | 0 | 0 | 106.8 | Q32 | Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 WeakPolarHBondContact CB-O 3.43Å; Q32-L34 PolarHBondContact O-N 2.86Å |
| 35 | I | 88.5 | Confident | 90.8 | Very high | 76 Ų | 76 | 77.5 Ų | 77.5 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | trans | -138.1 | 148.7 | 177.8 | -169.6 | 156.2 | 0 | 0 | 0 | 109 | P30 Y37 | P30-I35 HydrophobicContact CB-CB 4.31Å; P30-I35 HydrophobicContact CB-CD1 3.81Å; P30-I35 HydrophobicContact CB-CG2 4.05Å; P30-I35 HydrophobicContact CG-CG2 4.2Å; I35-Y37 HydrophobicContact CD1-CE1 3.79Å; I35-Y37 HydrophobicContact CD1-CE2 4.31Å; I35-Y37 WeakPolarHBondContact CD1-OH 3.49Å; I35-Y37 HydrophobicContact CG1-CE1 4.15Å; I35-Y37 HydrophobicContact CG1-CE2 4.15Å; I35-Y37 HydrophobicContact CG2-CD2 4.49Å; I35-Y37 HydrophobicContact CG2-CE2 3.73Å | ||
| 36 | A | 92 | Very high | 91.1 | Very high | 96 Ų | 96 | 79.4 Ų | 79.4 | 79% | 0.793 | 43% | 0.432 | S | S | * | . | trans | -126.9 | 138 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 37 | Y | 94.5 | Very high | 91.4 | Very high | 56 Ų | 56 | 76.1 Ų | 76.1 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | trans | -115.1 | 143.8 | 177.4 | -64 | -72.4 | 0 | 0 | 0 | 109 | N22 E23 Y24 I35 I42 | N22-Y37 WeakPolarHBondContact O-CD1 2.94Å; E23-Y37 WeakPolarHBondContact O-CE1 3.44Å; Y24-Y37 HydrophobicContact CD2-CD2 4.33Å; Y24-Y37 AromaticContact CD2-CE2 3.69Å; Y24-Y37 HydrophobicContact CD2-CE2 3.69Å; Y24-Y37 AromaticContact CD2-CZ 3.84Å; Y24-Y37 HydrophobicContact CG-CE2 4.41Å; I35-Y37 HydrophobicContact CD1-CE1 3.79Å; I35-Y37 HydrophobicContact CD1-CE2 4.31Å; I35-Y37 WeakPolarHBondContact CD1-OH 3.49Å; I35-Y37 HydrophobicContact CG1-CE1 4.15Å; I35-Y37 HydrophobicContact CG1-CE2 4.15Å; I35-Y37 HydrophobicContact CG2-CD2 4.49Å; I35-Y37 HydrophobicContact CG2-CE2 3.73Å; Y37-I42 HydrophobicContact CG-CG1 4.38Å | ||
| 38 | Q | 95.4 | Very high | 91.9 | Very high | 134 Ų | 134 | 77.3 Ų | 77.3 | 63% | 0.626 | 41% | 0.407 | S | S | * | . | trans | -77.4 | 151.6 | 164.8 | -46.5 | -171.2 | -79.5 | 0 | 0 | 108.6 | C40 D41 | Q38-C40 PolarHBondContact O-N 3.22Å; Q38-D41 WeakPolarHBondContact CB-OD2 3.5Å; Q38-D41 WeakPolarHBondContact CG-OD2 3.31Å; Q38-D41 PolarHBondContact N-OD2 3.45Å; Q38-D41 PolarHBondContact O-N 3.13Å | ||
| 39 | L | 96.5 | Very high | 92.4 | Very high | 69 Ų | 69 | 81.3 Ų | 81.3 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -62.1 | -26.3 | -177.9 | -64.5 | 178 | 0 | 0 | 0 | 113.1 | D41 Q48 V51 L69 L77 | L39-D41 VanDerWaalsContact C-N 3.28Å; L39-Q48 PolarHBondContact O-NE2 3.07Å; L39-V51 HydrophobicContact CB-CG2 4.48Å; L39-V51 HydrophobicContact CD1-CG1 4.49Å; L39-V51 HydrophobicContact CD1-CG2 4.07Å; L39-V51 HydrophobicContact CD2-CG2 4.33Å; L39-L69 HydrophobicContact CD1-CD1 3.98Å; L39-L77 HydrophobicContact CD2-CD1 3.84Å |
| 40 | C | 95.5 | Very high | 93 | Very high | 79 Ų | 79 | 81.1 Ų | 81.1 | 53% | 0.534 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -72 | -21.1 | 174.6 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | Q38 I42 H43 | Q38-C40 PolarHBondContact O-N 3.22Å; C40-I42 VanDerWaalsContact C-N 3.34Å; C40-H43 PolarHBondContact O-CE1 3.11Å |
| 41 | D | 96.3 | Very high | 93.6 | Very high | 30 Ų | 30 | 80.4 Ų | 80.4 | 16% | 0.16 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -94.4 | 6.3 | -176.3 | -47.2 | -32.9 | 0 | 0 | 0 | 112 | N22 E23 Y24 Q38 L39 | N22-D41 WeakPolarHBondContact O-CB 3.35Å; E23-D41 WeakPolarHBondContact CA-O 3.27Å; E23-D41 HydrophobicContact CG-CB 4.42Å; Y24-D41 PolarHBondContact N-O 2.87Å; Q38-D41 WeakPolarHBondContact CB-OD2 3.5Å; Q38-D41 WeakPolarHBondContact CG-OD2 3.31Å; Q38-D41 PolarHBondContact N-OD2 3.45Å; Q38-D41 PolarHBondContact O-N 3.13Å; L39-D41 VanDerWaalsContact C-N 3.28Å |
| 42 | I | 96.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 83.9 Ų | 83.9 | 6% | 0.062 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -112.7 | 99.2 | 179.2 | -53.9 | 168.7 | 0 | 0 | 0 | 109.3 | Y24 Y37 C40 L44 V47 Q48 V81 | Y24-I42 HydrophobicContact CD1-CG2 4.2Å; Y24-I42 HydrophobicContact CG-CG2 4.49Å; Y37-I42 HydrophobicContact CG-CG1 4.38Å; C40-I42 VanDerWaalsContact C-N 3.34Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 HydrophobicContact CG2-CB 4.32Å; I42-L44 HydrophobicContact CG2-CD1 4.4Å; I42-L44 HydrophobicContact CG2-CG 4.23Å; I42-L44 PolarHBondContact O-N 2.87Å; I42-V47 HydrophobicContact CB-CG1 4.02Å; I42-V47 HydrophobicContact CG2-CB 4.04Å; I42-V47 HydrophobicContact CG2-CG1 3.79Å; I42-V47 HydrophobicContact CG2-CG2 3.92Å; I42-Q48 PolarHBondContact O-NE2 3.4Å; I42-V81 HydrophobicContact CD1-CG2 4.23Å; I42-V81 HydrophobicContact CG2-CG2 4.07Å |
| 43 | H | 96.3 | Very high | 95.1 | Very high | 112 Ų | 112 | 81.8 Ų | 81.8 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | trans | -89.6 | 18.5 | -173.9 | -57.4 | -63 | 0 | 0 | 0 | 114.9 | C40 | C40-H43 PolarHBondContact O-CE1 3.11Š| ||
| 44 | L | 97.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 72.4 Ų | 72.4 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | trans | -66.5 | 127.7 | 172.7 | -66.5 | 179.9 | 0 | 0 | 0 | 110.2 | Y24 P26 I42 E46 V47 Q48 I80 V81 D84 | Y24-L44 HydrophobicContact CD1-CD1 4.2Å; Y24-L44 HydrophobicContact CD1-CG 4.14Å; Y24-L44 HydrophobicContact CE1-CD1 3.72Å; Y24-L44 HydrophobicContact CE1-CD2 4.16Å; Y24-L44 HydrophobicContact CE1-CG 3.95Å; P26-L44 HydrophobicContact CG-CD2 3.93Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 HydrophobicContact CG2-CB 4.32Å; I42-L44 HydrophobicContact CG2-CD1 4.4Å; I42-L44 HydrophobicContact CG2-CG 4.23Å; I42-L44 PolarHBondContact O-N 2.87Å; L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 2.89Å; L44-V47 HydrophobicContact CB-CB 4.08Å; L44-V47 HydrophobicContact CB-CG2 3.97Å; L44-V47 HydrophobicContact CD1-CG2 4.27Å; L44-V47 WeakPolarHBondContact O-CB 3.33Å; L44-V47 PolarHBondContact O-N 3.1Å; L44-Q48 PolarHBondContact O-N 2.72Å; L44-I80 HydrophobicContact CD1-CG2 4.18Å; L44-V81 HydrophobicContact CD1-CG2 4.39Å; L44-D84 HydrophobicContact CD1-CB 3.91Å | ||
| 45 | P | 97.6 | Very high | 96.3 | Very high | 94 Ų | 94 | 72.4 Ų | 72.4 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.1 | -42.3 | -178.8 | -28.2 | 35.7 | 0 | 0 | 0 | 113.7 | V47 Q48 E49 | P45-V47 VanDerWaalsContact C-N 3.29Å; P45-V47 PolarHBondContact O-N 3.4Å; P45-Q48 PolarHBondContact O-N 3.3Å; P45-E49 WeakPolarHBondContact O-CB 3.17Å; P45-E49 PolarHBondContact O-N 3.28Å |
| 46 | E | 97.5 | Very high | 96.6 | Very high | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.9 | -31.8 | -179.4 | -55.6 | 90.6 | 154.4 | 0 | 0 | 112 | L44 L50 I80 | L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 2.89Å; E46-L50 WeakPolarHBondContact O-CB 3.49Å; E46-L50 PolarHBondContact O-N 2.84Å; E46-L50 VanDerWaalsContact O-N 3.1Å; E46-I80 HydrophobicContact CB-CD1 4.33Å; E46-I80 HydrophobicContact CB-CG2 4.22Å |
| 47 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.1 | -48.5 | 173.5 | 163.6 | 0 | 0 | 0 | 0 | 110.1 | I42 L44 P45 E49 L50 V51 L77 I80 V81 | I42-V47 HydrophobicContact CB-CG1 4.02Å; I42-V47 HydrophobicContact CG2-CB 4.04Å; I42-V47 HydrophobicContact CG2-CG1 3.79Å; I42-V47 HydrophobicContact CG2-CG2 3.92Å; L44-V47 HydrophobicContact CB-CB 4.08Å; L44-V47 HydrophobicContact CB-CG2 3.97Å; L44-V47 HydrophobicContact CD1-CG2 4.27Å; L44-V47 WeakPolarHBondContact O-CB 3.33Å; L44-V47 PolarHBondContact O-N 3.1Å; P45-V47 VanDerWaalsContact C-N 3.29Å; P45-V47 PolarHBondContact O-N 3.4Å; V47-E49 PolarHBondContact O-N 2.82Å; V47-L50 PolarHBondContact O-N 3.29Å; V47-V51 HydrophobicContact CG1-CG2 4.38Å; V47-V51 VanDerWaalsContact O-CG2 3.3Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 3.2Å; V47-L77 HydrophobicContact CB-CD2 4.15Å; V47-L77 HydrophobicContact CG1-CD2 3.85Å; V47-L77 HydrophobicContact CG2-CD2 4.09Å; V47-I80 HydrophobicContact CG2-CB 4.28Å; V47-I80 HydrophobicContact CG2-CG2 3.76Å; V47-V81 HydrophobicContact CG2-CG2 4.16Å |
| 48 | Q | 97.4 | Very high | 96.7 | Very high | 63 Ų | 63 | 75.2 Ų | 75.2 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | -179.1 | -66.4 | -59.9 | -36.3 | 0 | 0 | 111.7 | L39 I42 L44 P45 L50 V51 M52 | L39-Q48 PolarHBondContact O-NE2 3.07Å; I42-Q48 PolarHBondContact O-NE2 3.4Å; L44-Q48 PolarHBondContact O-N 2.72Å; P45-Q48 PolarHBondContact O-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.14Å; Q48-V51 PolarHBondContact O-N 2.78Å; Q48-M52 VanDerWaalsContact O-CG 3.3Å; Q48-M52 WeakPolarHBondContact O-CG 3.36Å; Q48-M52 PolarHBondContact O-N 2.96Å |
| 49 | E | 98.1 | Very high | 96.6 | Very high | 131 Ų | 131 | 72.2 Ų | 72.2 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.8 | -45.8 | 174.9 | -177.6 | 177.7 | -169 | 0 | 0 | 111.7 | P45 V47 M52 T53 | P45-E49 WeakPolarHBondContact O-CB 3.17Å; P45-E49 PolarHBondContact O-N 3.28Å; V47-E49 PolarHBondContact O-N 2.82Å; E49-M52 PolarHBondContact O-N 2.94Å; E49-T53 HydrophobicContact CG-CG2 4.37Å; E49-T53 WeakPolarHBondContact O-CB 3.41Å; E49-T53 WeakPolarHBondContact O-CG2 3.29Å; E49-T53 PolarHBondContact O-N 3.44Å; E49-T53 PolarHBondContact O-OG1 3.37Å |
| 50 | L | 98.2 | Very high | 96.6 | Very high | 29 Ų | 29 | 75.2 Ų | 75.2 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | -178.7 | -170.8 | 64.7 | 0 | 0 | 0 | 111.8 | E46 V47 Q48 M52 T53 K54 T73 K76 L77 I80 | E46-L50 WeakPolarHBondContact O-CB 3.49Å; E46-L50 PolarHBondContact O-N 2.84Å; E46-L50 VanDerWaalsContact O-N 3.1Å; V47-L50 PolarHBondContact O-N 3.29Å; Q48-L50 PolarHBondContact O-N 3.14Å; L50-M52 VanDerWaalsContact C-N 3.34Å; L50-M52 PolarHBondContact O-N 3.11Å; L50-T53 PolarHBondContact O-N 3.44Å; L50-T53 PolarHBondContact O-OG1 3.43Å; L50-K54 HydrophobicContact CD1-CG 3.56Å; L50-K54 HydrophobicContact CG-CG 4.18Å; L50-K54 WeakPolarHBondContact O-CB 3.38Å; L50-K54 WeakPolarHBondContact O-CG 3.32Å; L50-K54 PolarHBondContact O-N 3.31Å; L50-T73 HydrophobicContact CD2-CG2 4.25Å; L50-T73 HydrophobicContact CG-CG2 4.04Å; L50-K76 HydrophobicContact CD2-CB 3.81Å; L50-L77 HydrophobicContact CB-CD2 4.14Å; L50-L77 HydrophobicContact CD2-CD2 3.82Å; L50-L77 HydrophobicContact CD2-CG 3.96Å; L50-L77 HydrophobicContact CG-CD2 4.28Å; L50-I80 HydrophobicContact CD2-CD1 3.88Å |
| 51 | V | 97.5 | Very high | 96.7 | Very high | 19 Ų | 19 | 78.4 Ų | 78.4 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | L39 V47 Q48 R55 L69 L77 | L39-V51 HydrophobicContact CB-CG2 4.48Å; L39-V51 HydrophobicContact CD1-CG1 4.49Å; L39-V51 HydrophobicContact CD1-CG2 4.07Å; L39-V51 HydrophobicContact CD2-CG2 4.33Å; V47-V51 HydrophobicContact CG1-CG2 4.38Å; V47-V51 VanDerWaalsContact O-CG2 3.3Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 3.2Å; Q48-V51 PolarHBondContact O-N 2.78Å; V51-R55 WeakPolarHBondContact O-CB 3.43Å; V51-R55 PolarHBondContact O-N 2.82Å; V51-L69 HydrophobicContact CG1-CD2 4.38Å; V51-L77 HydrophobicContact CG2-CD1 3.99Å; V51-L77 HydrophobicContact CG2-CD2 3.99Å |
| 52 | M | 96.3 | Very high | 96.7 | Very high | 121 Ų | 121 | 79.7 Ų | 79.7 | 60% | 0.596 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.5 | -44.2 | 179.3 | -71.1 | -59.2 | 117.5 | 0 | 0 | 112.5 | Q48 E49 L50 | Q48-M52 VanDerWaalsContact O-CG 3.3Å; Q48-M52 WeakPolarHBondContact O-CG 3.36Å; Q48-M52 PolarHBondContact O-N 2.96Å; E49-M52 PolarHBondContact O-N 2.94Å; L50-M52 VanDerWaalsContact C-N 3.34Å; L50-M52 PolarHBondContact O-N 3.11Å |
| 53 | T | 97.6 | Very high | 96.7 | Very high | 86 Ų | 86 | 81.3 Ų | 81.3 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -78.2 | -23.3 | -175.6 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | E49 L50 | E49-T53 HydrophobicContact CG-CG2 4.37Å; E49-T53 WeakPolarHBondContact O-CB 3.41Å; E49-T53 WeakPolarHBondContact O-CG2 3.29Å; E49-T53 PolarHBondContact O-N 3.44Å; E49-T53 PolarHBondContact O-OG1 3.37Å; L50-T53 PolarHBondContact O-N 3.44Å; L50-T53 PolarHBondContact O-OG1 3.43Å |
| 54 | K | 97.8 | Very high | 96.7 | Very high | 56 Ų | 56 | 81.8 Ų | 81.8 | 24% | 0.243 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 8 | -176.4 | -62.1 | -71.4 | 166.2 | -165.2 | 0 | 114.7 | L50 V56 L69 E70 T73 | L50-K54 HydrophobicContact CD1-CG 3.56Å; L50-K54 HydrophobicContact CG-CG 4.18Å; L50-K54 WeakPolarHBondContact O-CB 3.38Å; L50-K54 WeakPolarHBondContact O-CG 3.32Å; L50-K54 PolarHBondContact O-N 3.31Å; K54-V56 PolarHBondContact O-N 2.54Å; K54-L69 CarbonylContact O-C 3.57Å; K54-L69 WeakPolarHBondContact O-CA 3.39Å; K54-E70 HydrophobicContact CD-CB 4.42Å; K54-E70 HydrophobicContact CD-CG 4.36Å; K54-E70 WeakPolarHBondContact CD-OE2 3.19Å; K54-E70 WeakPolarHBondContact CE-OE2 3.33Å; K54-E70 IonicContact NZ-OE1 3.54Å; K54-E70 IonicContact NZ-OE2 3.78Å; K54-E70 PolarHBondContact NZ-OE2 3.5Å; K54-E70 PolarHBondContact O-N 3.4Å; K54-T73 HydrophobicContact CB-CG2 3.61Å; K54-T73 HydrophobicContact CG-CG2 4Å |
| 55 | R | 96.7 | Very high | 96.6 | Very high | 152 Ų | 152 | 87.8 Ų | 87.8 | 57% | 0.574 | 47% | 0.467 | S | S | * | . | B | Isolated β-bridge | trans | -70.9 | 126.3 | 174.2 | -173.3 | 175.1 | 179.2 | 175.7 | -0.1 | 110.7 | V51 T57 W68 | V51-R55 WeakPolarHBondContact O-CB 3.43Å; V51-R55 PolarHBondContact O-N 2.82Å; R55-T57 HydrophobicContact CG-CG2 4.47Å; R55-T57 PolarHBondContact O-N 3.4Å; R55-W68 WeakPolarHBondContact CA-O 3.48Å |
| 56 | V | 96.2 | Very high | 96.6 | Very high | 25 Ų | 25 | 83.8 Ų | 83.8 | 15% | 0.152 | 44% | 0.442 | C | S | . | . | trans | -88.2 | 105.9 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | K54 N58 R59 W68 E70 | K54-V56 PolarHBondContact O-N 2.54Å; V56-N58 WeakPolarHBondContact CG1-OD1 3.43Å; V56-R59 HydrophobicContact CG1-CB 4.02Å; V56-W68 PolarHBondContact N-O 3.21Å; V56-E70 HydrophobicContact CG2-CB 4.47Å; V56-E70 HydrophobicContact CG2-CG 3.81Å | ||
| 57 | T | 93.7 | Very high | 96.5 | Very high | 122 Ų | 122 | 80.6 Ų | 80.6 | 75% | 0.748 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -88.4 | -16.2 | -173.3 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | R55 | R55-T57 HydrophobicContact CG-CG2 4.47Å; R55-T57 PolarHBondContact O-N 3.4Å |
| 58 | N | 94.6 | Very high | 96.4 | Very high | 140 Ų | 140 | 86.1 Ų | 86.1 | 75% | 0.749 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -96.4 | 5.9 | -176.4 | 67.3 | -25.9 | 0 | 0 | 0 | 114 | V56 | V56-N58 WeakPolarHBondContact CG1-OD1 3.43Š|
| 59 | R | 92.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 83.6 Ų | 83.6 | 27% | 0.268 | 44% | 0.442 | S | S | . | . | trans | -84.6 | 145 | 178 | -158.9 | -176.3 | -80.3 | 166.7 | -14.9 | 109.8 | V56 E61 G67 W68 | V56-R59 HydrophobicContact CG1-CB 4.02Å; R59-E61 WeakPolarHBondContact CD-O 3.44Å; R59-E61 WeakPolarHBondContact CG-O 3.33Å; R59-G67 PolarHBondContact NH1-O 2.98Å; R59-W68 HydrophobicContact CB-CE3 4.28Å; R59-W68 HydrophobicContact CB-CZ3 3.92Å; R59-W68 HydrophobicContact CG-CZ3 4.49Å; R59-W68 WeakPolarHBondContact O-CZ3 3.27Å | ||
| 60 | T | 96.4 | Very high | 96.4 | Very high | 132 Ų | 132 | 81.1 Ų | 81.1 | 81% | 0.81 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -93.2 | -22.2 | 176.9 | 51.1 | 0 | 0 | 0 | 0 | 113 | ||
| 61 | E | 97 | Very high | 96.4 | Very high | 146 Ų | 146 | 84.6 Ų | 84.6 | 68% | 0.682 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -134.2 | 156.4 | -176.3 | -64.5 | 178.3 | -167.1 | 0 | 0 | 110.2 | R59 | R59-E61 WeakPolarHBondContact CD-O 3.44Å; R59-E61 WeakPolarHBondContact CG-O 3.33Å |
| 62 | A | 96.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 85.2 Ų | 85.2 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | trans | -76.1 | 138.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | W68 | A62-W68 HydrophobicContact CB-CZ2 4.19Š| ||
| 63 | D | 97 | Very high | 96.5 | Very high | 47 Ų | 47 | 79.5 Ų | 79.5 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -70.1 | 138.2 | 169.5 | 177.6 | -77.4 | 0 | 0 | 0 | 109.7 | N65 C66 G67 | D63-N65 PolarHBondContact O-N 2.72Å; D63-N65 VanDerWaalsContact O-N 3.14Å; D63-N65 WeakPolarHBondContact OD1-CA 3.26Å; D63-N65 WeakPolarHBondContact OD1-CB 3.47Å; D63-N65 PolarHBondContact OD1-N 2.98Å; D63-C66 PolarHBondContact OD1-N 3.45Å; D63-C66 PolarHBondContact OD1-SG 3.01Å; D63-C66 VanDerWaalsContact OD1-SG 3.4Å; D63-G67 PolarHBondContact N-O 2.9Å; D63-G67 VanDerWaalsContact O-CA 3.24Å; D63-G67 WeakPolarHBondContact O-CA 3.44Å; D63-G67 PolarHBondContact O-N 3.39Å |
| 64 | P | 96.9 | Very high | 96.5 | Very high | 121 Ų | 121 | 77.6 Ų | 77.6 | 79% | 0.786 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.7 | -175.5 | 24 | -34.9 | 0 | 0 | 0 | 114.5 | ||
| 65 | N | 95.1 | Very high | 96.5 | Very high | 140 Ų | 140 | 78.8 Ų | 78.8 | 75% | 0.749 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -38.3 | -176 | -57.5 | -61.1 | 0 | 0 | 0 | 112.8 | D63 | D63-N65 PolarHBondContact O-N 2.72Å; D63-N65 VanDerWaalsContact O-N 3.14Å; D63-N65 WeakPolarHBondContact OD1-CA 3.26Å; D63-N65 WeakPolarHBondContact OD1-CB 3.47Å; D63-N65 PolarHBondContact OD1-N 2.98Å |
| 66 | C | 96.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 77.1 Ų | 77.1 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 4 | -177 | 65.3 | 0 | 0 | 0 | 0 | 114.8 | D63 W68 L69 V74 | D63-C66 PolarHBondContact OD1-N 3.45Å; D63-C66 PolarHBondContact OD1-SG 3.01Å; D63-C66 VanDerWaalsContact OD1-SG 3.4Å; C66-W68 PolarHBondContact O-N 3.38Å; C66-W68 VanDerWaalsContact O-N 3.13Å; C66-L69 WeakPolarHBondContact O-CB 3.44Å; C66-L69 PolarHBondContact O-N 3.39Å; C66-L69 PolarHBondContact SG-O 2.97Å; C66-V74 HydrophobicContact CB-CG2 4.24Å |
| 67 | G | 96.2 | Very high | 96.6 | Very high | 24 Ų | 24 | 76.3 Ų | 76.3 | 25% | 0.247 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | 60.5 | -115.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R59 D63 | R59-G67 PolarHBondContact NH1-O 2.98Å; D63-G67 PolarHBondContact N-O 2.9Å; D63-G67 VanDerWaalsContact O-CA 3.24Å; D63-G67 WeakPolarHBondContact O-CA 3.44Å; D63-G67 PolarHBondContact O-N 3.39Å |
| 68 | W | 97.2 | Very high | 96.8 | Very high | 117 Ų | 117 | 76.8 Ų | 76.8 | 44% | 0.443 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 13.2 | 179.3 | -63.7 | 103 | 0 | 0 | 0 | 113.7 | R55 V56 R59 A62 C66 | R55-W68 WeakPolarHBondContact CA-O 3.48Å; V56-W68 PolarHBondContact N-O 3.21Å; R59-W68 HydrophobicContact CB-CE3 4.28Å; R59-W68 HydrophobicContact CB-CZ3 3.92Å; R59-W68 HydrophobicContact CG-CZ3 4.49Å; R59-W68 WeakPolarHBondContact O-CZ3 3.27Å; A62-W68 HydrophobicContact CB-CZ2 4.19Å; C66-W68 PolarHBondContact O-N 3.38Å; C66-W68 VanDerWaalsContact O-N 3.13Å |
| 69 | L | 97.7 | Very high | 97 | Very high | 9 Ų | 9 | 74.2 Ų | 74.2 | 5% | 0.047 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -103.7 | 160.2 | -179.6 | -58.7 | 173.4 | 0 | 0 | 0 | 111.1 | L39 V51 K54 C66 T73 V74 L77 | L39-L69 HydrophobicContact CD1-CD1 3.98Å; V51-L69 HydrophobicContact CG1-CD2 4.38Å; K54-L69 CarbonylContact O-C 3.57Å; K54-L69 WeakPolarHBondContact O-CA 3.39Å; C66-L69 WeakPolarHBondContact O-CB 3.44Å; C66-L69 PolarHBondContact O-N 3.39Å; C66-L69 PolarHBondContact SG-O 2.97Å; L69-T73 HydrophobicContact CB-CG2 4.14Å; L69-T73 HydrophobicContact CD1-CG2 3.94Å; L69-T73 HydrophobicContact CD2-CG2 4.43Å; L69-T73 HydrophobicContact CG-CG2 4.4Å; L69-V74 HydrophobicContact CD1-CG2 4.2Å; L69-L77 HydrophobicContact CD1-CD1 3.74Å |
| 70 | E | 97.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 73 Ų | 73 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 142.3 | 167.3 | -70.7 | 179.1 | -179.2 | 0 | 0 | 110.2 | K54 V56 G72 T73 | K54-E70 HydrophobicContact CD-CB 4.42Å; K54-E70 HydrophobicContact CD-CG 4.36Å; K54-E70 WeakPolarHBondContact CD-OE2 3.19Å; K54-E70 WeakPolarHBondContact CE-OE2 3.33Å; K54-E70 IonicContact NZ-OE1 3.54Å; K54-E70 IonicContact NZ-OE2 3.78Å; K54-E70 PolarHBondContact NZ-OE2 3.5Å; K54-E70 PolarHBondContact O-N 3.4Å; V56-E70 HydrophobicContact CG2-CB 4.47Å; V56-E70 HydrophobicContact CG2-CG 3.81Å; E70-G72 PolarHBondContact O-N 3.49Å; E70-T73 WeakPolarHBondContact O-CB 3.22Å; E70-T73 PolarHBondContact O-N 3.19Å; E70-T73 VanDerWaalsContact O-N 3.1Å; E70-T73 PolarHBondContact O-OG1 3.27Å |
| 71 | P | 97.2 | Very high | 97.2 | Very high | 102 Ų | 102 | 67.8 Ų | 67.8 | 66% | 0.662 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 138.2 | 172.8 | -27.3 | 35.3 | 0 | 0 | 0 | 112.4 | T73 | P71-T73 VanDerWaalsContact C-N 3.3Å; P71-T73 PolarHBondContact O-N 2.9Å |
| 72 | G | 97.6 | Very high | 97.1 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -5.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E70 E75 K76 | E70-G72 PolarHBondContact O-N 3.49Å; G72-E75 WeakPolarHBondContact CA-OE2 3.43Å; G72-K76 WeakPolarHBondContact O-CG 3.43Å; G72-K76 PolarHBondContact O-N 3.14Å |
| 73 | T | 98 | Very high | 97 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.9 | -38.6 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | L50 K54 L69 E70 P71 E75 K76 L77 | L50-T73 HydrophobicContact CD2-CG2 4.25Å; L50-T73 HydrophobicContact CG-CG2 4.04Å; K54-T73 HydrophobicContact CB-CG2 3.61Å; K54-T73 HydrophobicContact CG-CG2 4Å; L69-T73 HydrophobicContact CB-CG2 4.14Å; L69-T73 HydrophobicContact CD1-CG2 3.94Å; L69-T73 HydrophobicContact CD2-CG2 4.43Å; L69-T73 HydrophobicContact CG-CG2 4.4Å; E70-T73 WeakPolarHBondContact O-CB 3.22Å; E70-T73 PolarHBondContact O-N 3.19Å; E70-T73 VanDerWaalsContact O-N 3.1Å; E70-T73 PolarHBondContact O-OG1 3.27Å; P71-T73 VanDerWaalsContact C-N 3.3Å; P71-T73 PolarHBondContact O-N 2.9Å; T73-E75 VanDerWaalsContact C-N 3.28Å; T73-E75 PolarHBondContact O-N 3.26Å; T73-K76 PolarHBondContact O-N 2.96Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.37Å; T73-L77 WeakPolarHBondContact O-CG 3.37Å; T73-L77 PolarHBondContact O-N 3.09Å |
| 74 | V | 97.7 | Very high | 97 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 29% | 0.285 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 179.2 | 178.4 | 0 | 0 | 0 | 0 | 111 | C66 L69 L77 R78 | C66-V74 HydrophobicContact CB-CG2 4.24Å; L69-V74 HydrophobicContact CD1-CG2 4.2Å; V74-L77 PolarHBondContact O-N 2.91Å; V74-R78 WeakPolarHBondContact O-CB 3.45Å; V74-R78 PolarHBondContact O-N 2.99Å |
| 75 | E | 97.9 | Very high | 96.8 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 38% | 0.379 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 173.9 | -67.6 | 45.8 | -118 | 0 | 0 | 111.2 | G72 T73 L77 R78 D79 | G72-E75 WeakPolarHBondContact CA-OE2 3.43Å; T73-E75 VanDerWaalsContact C-N 3.28Å; T73-E75 PolarHBondContact O-N 3.26Å; E75-L77 PolarHBondContact O-N 2.67Å; E75-R78 VanDerWaalsContact CG-NH2 3.27Å; E75-R78 WeakPolarHBondContact O-CB 3.2Å; E75-R78 PolarHBondContact O-N 3.17Å; E75-R78 IonicContact OE1-CZ 2.67Å; E75-R78 IonicContact OE1-NH1 2.77Å; E75-R78 IonicContact OE1-NH2 3.65Å; E75-R78 PolarHBondContact OE1-NH2 2.79Å; E75-D79 PolarHBondContact O-N 3.45Å |
| 76 | K | 98.2 | Very high | 96.6 | Very high | 116 Ų | 116 | 64.6 Ų | 64.6 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 179.2 | -68.7 | 173.1 | -176.1 | 176.4 | 0 | 111.8 | L50 G72 T73 R78 D79 I80 | L50-K76 HydrophobicContact CD2-CB 3.81Å; G72-K76 WeakPolarHBondContact O-CG 3.43Å; G72-K76 PolarHBondContact O-N 3.14Å; T73-K76 PolarHBondContact O-N 2.96Å; K76-R78 PolarHBondContact O-N 3.13Å; K76-D79 PolarHBondContact O-N 3.18Å; K76-I80 WeakPolarHBondContact O-CG1 3.24Å; K76-I80 PolarHBondContact O-N 2.94Å |
| 77 | L | 98.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 72.2 Ų | 72.2 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.4 | -71.2 | 168.6 | 0 | 0 | 0 | 111.5 | L39 V47 L50 V51 L69 T73 V74 E75 D79 I80 V81 | L39-L77 HydrophobicContact CD2-CD1 3.84Å; V47-L77 HydrophobicContact CB-CD2 4.15Å; V47-L77 HydrophobicContact CG1-CD2 3.85Å; V47-L77 HydrophobicContact CG2-CD2 4.09Å; L50-L77 HydrophobicContact CB-CD2 4.14Å; L50-L77 HydrophobicContact CD2-CD2 3.82Å; L50-L77 HydrophobicContact CD2-CG 3.96Å; L50-L77 HydrophobicContact CG-CD2 4.28Å; V51-L77 HydrophobicContact CG2-CD1 3.99Å; V51-L77 HydrophobicContact CG2-CD2 3.99Å; L69-L77 HydrophobicContact CD1-CD1 3.74Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.37Å; T73-L77 WeakPolarHBondContact O-CG 3.37Å; T73-L77 PolarHBondContact O-N 3.09Å; V74-L77 PolarHBondContact O-N 2.91Å; E75-L77 PolarHBondContact O-N 2.67Å; L77-D79 VanDerWaalsContact C-N 3.29Å; L77-D79 PolarHBondContact O-N 3.42Å; L77-I80 PolarHBondContact O-N 3.47Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.4Å; L77-V81 VanDerWaalsContact O-N 3.09Å |
| 78 | R | 97.3 | Very high | 96 | Very high | 131 Ų | 131 | 72.6 Ų | 72.6 | 49% | 0.494 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 175.2 | 173.4 | 173.8 | 54.7 | -123.5 | -0.9 | 111.8 | V74 E75 K76 K82 | V74-R78 WeakPolarHBondContact O-CB 3.45Å; V74-R78 PolarHBondContact O-N 2.99Å; E75-R78 VanDerWaalsContact CG-NH2 3.27Å; E75-R78 WeakPolarHBondContact O-CB 3.2Å; E75-R78 PolarHBondContact O-N 3.17Å; E75-R78 IonicContact OE1-CZ 2.67Å; E75-R78 IonicContact OE1-NH1 2.77Å; E75-R78 IonicContact OE1-NH2 3.65Å; E75-R78 PolarHBondContact OE1-NH2 2.79Å; K76-R78 PolarHBondContact O-N 3.13Å; R78-K82 WeakPolarHBondContact O-CB 3.37Å; R78-K82 PolarHBondContact O-N 3.13Å |
| 79 | D | 97.9 | Very high | 95.4 | Very high | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 177.8 | -72.7 | -23.1 | 0 | 0 | 0 | 112.8 | E75 K76 L77 T83 | E75-D79 PolarHBondContact O-N 3.45Å; K76-D79 PolarHBondContact O-N 3.18Å; L77-D79 VanDerWaalsContact C-N 3.29Å; L77-D79 PolarHBondContact O-N 3.42Å; D79-T83 VanDerWaalsContact O-CB 3.26Å; D79-T83 WeakPolarHBondContact O-CB 3.36Å; D79-T83 PolarHBondContact O-N 3.25Å; D79-T83 PolarHBondContact O-OG1 2.87Å |
| 80 | I | 97.9 | Very high | 94.4 | Very high | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -54.3 | 173.9 | -67.6 | 164.2 | 0 | 0 | 0 | 110.1 | L44 E46 V47 L50 K76 L77 K82 T83 D84 | L44-I80 HydrophobicContact CD1-CG2 4.18Å; E46-I80 HydrophobicContact CB-CD1 4.33Å; E46-I80 HydrophobicContact CB-CG2 4.22Å; V47-I80 HydrophobicContact CG2-CB 4.28Å; V47-I80 HydrophobicContact CG2-CG2 3.76Å; L50-I80 HydrophobicContact CD2-CD1 3.88Å; K76-I80 WeakPolarHBondContact O-CG1 3.24Å; K76-I80 PolarHBondContact O-N 2.94Å; L77-I80 PolarHBondContact O-N 3.47Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.39Å; I80-T83 PolarHBondContact O-N 2.87Å; I80-D84 PolarHBondContact O-N 3.1Å |
| 81 | V | 96.5 | Very high | 93.1 | Very high | 23 Ų | 23 | 73.2 Ų | 73.2 | 14% | 0.139 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | -179.6 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | Y24 I42 L44 V47 L77 T83 D84 Y85 | Y24-V81 HydrophobicContact CD2-CG1 3.88Å; Y24-V81 HydrophobicContact CE1-CG1 4.46Å; Y24-V81 HydrophobicContact CE2-CG1 3.62Å; Y24-V81 HydrophobicContact CG-CG1 4.41Å; I42-V81 HydrophobicContact CD1-CG2 4.23Å; I42-V81 HydrophobicContact CG2-CG2 4.07Å; L44-V81 HydrophobicContact CD1-CG2 4.39Å; V47-V81 HydrophobicContact CG2-CG2 4.16Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.4Å; L77-V81 VanDerWaalsContact O-N 3.09Å; V81-T83 VanDerWaalsContact C-N 3.34Å; V81-T83 PolarHBondContact O-N 2.97Å; V81-D84 PolarHBondContact O-N 3.05Å; V81-Y85 WeakPolarHBondContact O-CB 3.43Å; V81-Y85 PolarHBondContact O-N 3.01Å |
| 82 | K | 94.2 | Very high | 91.4 | Very high | 111 Ų | 111 | 75.4 Ų | 75.4 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 177.5 | -178.1 | 177.4 | -179.5 | -179.9 | 0 | 112.5 | R78 I80 K86 | R78-K82 WeakPolarHBondContact O-CB 3.37Å; R78-K82 PolarHBondContact O-N 3.13Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.39Å; K82-K86 WeakPolarHBondContact O-CB 3.03Å; K82-K86 VanDerWaalsContact O-CG 3.31Å; K82-K86 WeakPolarHBondContact O-CG 3.46Å; K82-K86 PolarHBondContact O-N 3.05Å |
| 83 | T | 95.6 | Very high | 89.1 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 52% | 0.515 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.3 | -44.4 | 177.7 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | D79 I80 V81 K86 R87 | D79-T83 VanDerWaalsContact O-CB 3.26Å; D79-T83 WeakPolarHBondContact O-CB 3.36Å; D79-T83 PolarHBondContact O-N 3.25Å; D79-T83 PolarHBondContact O-OG1 2.87Å; I80-T83 PolarHBondContact O-N 2.87Å; V81-T83 VanDerWaalsContact C-N 3.34Å; V81-T83 PolarHBondContact O-N 2.97Å; T83-K86 PolarHBondContact O-N 3.06Å; T83-R87 WeakPolarHBondContact O-CB 3.18Å; T83-R87 PolarHBondContact O-N 2.72Å; T83-R87 VanDerWaalsContact O-N 3.11Å |
| 84 | D | 95.5 | Very high | 86.8 | Confident | 11 Ų | 11 | 90.2 Ų | 90.2 | 6% | 0.059 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 174.8 | -177.2 | 67.4 | 0 | 0 | 0 | 111.9 | Y24 L44 I80 V81 K86 R87 S88 | Y24-D84 VanDerWaalsContact CE1-OD2 3.27Å; Y24-D84 WeakPolarHBondContact CE1-OD2 3.45Å; Y24-D84 VanDerWaalsContact CZ-OD2 3.31Å; Y24-D84 PolarHBondContact OH-OD2 2.78Å; L44-D84 HydrophobicContact CD1-CB 3.91Å; I80-D84 PolarHBondContact O-N 3.1Å; V81-D84 PolarHBondContact O-N 3.05Å; D84-K86 PolarHBondContact O-N 3.3Å; D84-R87 WeakPolarHBondContact O-CB 3.21Å; D84-R87 PolarHBondContact O-N 2.92Å; D84-R87 VanDerWaalsContact O-N 3.14Å; D84-R87 IonicContact OD1-CZ 3.91Å; D84-R87 IonicContact OD1-NE 3.93Å; D84-R87 IonicContact OD1-NH2 2.98Å; D84-R87 PolarHBondContact OD1-NH2 3.44Å; D84-S88 VanDerWaalsContact O-CB 3.29Å; D84-S88 WeakPolarHBondContact O-CB 3.33Å; D84-S88 PolarHBondContact O-N 2.69Å; D84-S88 PolarHBondContact O-OG 3.49Å |
| 85 | Y | 92.2 | Very high | 84.3 | Confident | 86 Ų | 86 | 93.5 Ų | 93.5 | 34% | 0.337 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 176.5 | 178.7 | -92.2 | 0 | 0 | 0 | 112 | Y24 V81 R87 S88 V89 | Y24-Y85 PolarHBondContact OH-N 2.71Å; V81-Y85 WeakPolarHBondContact O-CB 3.43Å; V81-Y85 PolarHBondContact O-N 3.01Å; Y85-R87 PolarHBondContact O-N 3.48Å; Y85-S88 PolarHBondContact O-N 3.36Å; Y85-V89 HydrophobicContact CD2-CB 4.36Å; Y85-V89 HydrophobicContact CD2-CG2 3.67Å; Y85-V89 HydrophobicContact CE1-CB 4.37Å; Y85-V89 HydrophobicContact CE2-CB 4.04Å; Y85-V89 HydrophobicContact CE2-CG1 4.34Å; Y85-V89 HydrophobicContact CE2-CG2 3.48Å; Y85-V89 VanDerWaalsContact CE2-CG2 3.48Å; Y85-V89 HydrophobicContact CG-CG2 4.35Å; Y85-V89 WeakPolarHBondContact O-CB 2.74Å; Y85-V89 PolarHBondContact O-N 3.29Å |
| 86 | K | 91.2 | Very high | 81.8 | Confident | 150 Ų | 150 | 98 Ų | 98 | 65% | 0.652 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -31.1 | 178.1 | -77 | 177.6 | 175.5 | -172.2 | 0 | 113.1 | K82 T83 D84 | K82-K86 WeakPolarHBondContact O-CB 3.03Å; K82-K86 VanDerWaalsContact O-CG 3.31Å; K82-K86 WeakPolarHBondContact O-CG 3.46Å; K82-K86 PolarHBondContact O-N 3.05Å; T83-K86 PolarHBondContact O-N 3.06Å; D84-K86 PolarHBondContact O-N 3.3Å |
| 87 | R | 91.9 | Very high | 79.7 | Confident | 171 Ų | 171 | 98.8 Ų | 98.8 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -78.7 | -41 | 178.5 | 175.3 | 179.1 | 62.3 | -156.7 | 2.7 | 111.6 | T83 D84 Y85 | T83-R87 WeakPolarHBondContact O-CB 3.18Å; T83-R87 PolarHBondContact O-N 2.72Å; T83-R87 VanDerWaalsContact O-N 3.11Å; D84-R87 WeakPolarHBondContact O-CB 3.21Å; D84-R87 PolarHBondContact O-N 2.92Å; D84-R87 VanDerWaalsContact O-N 3.14Å; D84-R87 IonicContact OD1-CZ 3.91Å; D84-R87 IonicContact OD1-NE 3.93Å; D84-R87 IonicContact OD1-NH2 2.98Å; D84-R87 PolarHBondContact OD1-NH2 3.44Å; Y85-R87 PolarHBondContact O-N 3.48Å |
| 88 | S | 88 | Confident | 77.4 | Confident | 33 Ų | 33 | 106.4 Ų | 106.4 | 23% | 0.231 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -92.7 | -32.7 | -168.1 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | G27 D84 Y85 P90 | G27-S88 WeakPolarHBondContact CA-O 3.49Å; G27-S88 PolarHBondContact N-OG 2.91Å; D84-S88 VanDerWaalsContact O-CB 3.29Å; D84-S88 WeakPolarHBondContact O-CB 3.33Å; D84-S88 PolarHBondContact O-N 2.69Å; D84-S88 PolarHBondContact O-OG 3.49Å; Y85-S88 PolarHBondContact O-N 3.36Å; S88-P90 WeakPolarHBondContact O-CD 3.3Å |
| 89 | V | 84.9 | Confident | 75.5 | Confident | 20 Ų | 20 | 105.1 Ų | 105.1 | 12% | 0.121 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -92 | 114.7 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | A29 Y85 A91 | A29-V89 HydrophobicContact CB-CG1 4.14Å; Y85-V89 HydrophobicContact CD2-CB 4.36Å; Y85-V89 HydrophobicContact CD2-CG2 3.67Å; Y85-V89 HydrophobicContact CE1-CB 4.37Å; Y85-V89 HydrophobicContact CE2-CB 4.04Å; Y85-V89 HydrophobicContact CE2-CG1 4.34Å; Y85-V89 HydrophobicContact CE2-CG2 3.48Å; Y85-V89 VanDerWaalsContact CE2-CG2 3.48Å; Y85-V89 HydrophobicContact CG-CG2 4.35Å; Y85-V89 WeakPolarHBondContact O-CB 2.74Å; Y85-V89 PolarHBondContact O-N 3.29Å; V89-A91 PolarHBondContact O-N 3.47Å |
| 90 | P | 77.6 | Confident | 73.8 | Confident | 101 Ų | 101 | 105.9 Ų | 105.9 | 66% | 0.656 | 56% | 0.555 | S | S | * | * | trans | -54.1 | 133.4 | 174.9 | -21.9 | 32 | 0 | 0 | 0 | 109 | S88 Q92 | S88-P90 WeakPolarHBondContact O-CD 3.3Å; P90-Q92 PolarHBondContact O-N 3.48Å | ||
| 91 | A | 69.3 | Low | 72.3 | Confident | 97 Ų | 97 | 110.2 Ų | 110.2 | 80% | 0.802 | 59% | 0.586 | S | S | * | * | trans | -54.8 | 110.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | V89 D93 | V89-A91 PolarHBondContact O-N 3.47Å; A91-D93 PolarHBondContact O-N 2.98Å | ||
| 92 | Q | 62.1 | Low | 70.8 | Confident | 149 Ų | 149 | 115.7 Ų | 115.7 | 70% | 0.696 | 62% | 0.615 | S | S | * | * | trans | -54.1 | 124.3 | 173.5 | -72.3 | -164.2 | -32 | 0 | 0 | 106 | P90 K94 | P90-Q92 PolarHBondContact O-N 3.48Å; Q92-K94 PolarHBondContact O-N 3.48Å | ||
| 93 | D | 48.5 | Very low | 69.1 | Low | 155 Ų | 155 | 118.4 Ų | 118.4 | 83% | 0.829 | 63% | 0.626 | S | S | * | * | trans | -42 | 120.1 | 176.6 | -83 | -43.8 | 0 | 0 | 0 | 107.3 | A91 P95 | A91-D93 PolarHBondContact O-N 2.98Å; D93-P95 VanDerWaalsContact O-N 3.08Å | ||
| 94 | K | 49.8 | Very low | 67.2 | Low | 188 Ų | 188 | 119.7 Ų | 119.7 | 82% | 0.817 | 64% | 0.636 | S | S | * | * | trans | -39.5 | 124 | 167.4 | -128.1 | 176.9 | -178.3 | 179.4 | 0 | 105 | Q92 E96 | Q92-K94 PolarHBondContact O-N 3.48Å; K94-E96 PolarHBondContact O-N 3.26Å | ||
| 95 | P | 46.7 | Very low | 65.4 | Low | 115 Ų | 115 | 124.6 Ų | 124.6 | 75% | 0.747 | 67% | 0.672 | S | S | * | * | trans | -54.2 | 112.4 | 176.8 | 20.9 | -30.4 | 0 | 0 | 0 | 106 | D93 V97 | D93-P95 VanDerWaalsContact O-N 3.08Å; P95-V97 VanDerWaalsContact C-N 3.32Å; P95-V97 PolarHBondContact O-N 3.1Å | ||
| 96 | E | 45 | Very low | 63.8 | Low | 176 Ų | 176 | 125.5 Ų | 125.5 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -55.2 | 109.9 | 168 | -85.6 | -173.7 | 143.4 | 0 | 0 | 104.1 | K94 Q98 | K94-E96 PolarHBondContact O-N 3.26Å; E96-Q98 PolarHBondContact O-N 2.84Å | ||
| 97 | V | 53.2 | Low | 62.3 | Low | 133 Ų | 133 | 123.3 Ų | 123.3 | 81% | 0.806 | 69% | 0.694 | S | S | * | * | trans | -65.9 | 90.7 | 169.9 | 179.1 | 0 | 0 | 0 | 0 | 103.8 | P95 S99 | P95-V97 VanDerWaalsContact C-N 3.32Å; P95-V97 PolarHBondContact O-N 3.1Å; V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 2.94Å | ||
| 98 | Q | 50.2 | Low | 60.5 | Low | 168 Ų | 168 | 122.7 Ų | 122.7 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -57.3 | 108.3 | 164.8 | -78.5 | -176.2 | 3.3 | 0 | 0 | 105.1 | E96 D100 | E96-Q98 PolarHBondContact O-N 2.84Å; Q98-D100 PolarHBondContact O-N 3.33Å | ||
| 99 | S | 56.8 | Low | 58.8 | Low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -54.4 | 110.9 | 170.7 | 39.6 | 0 | 0 | 0 | 0 | 107 | V97 P101 | V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 2.94Å; S99-P101 VanDerWaalsContact O-CD 3.27Å; S99-P101 WeakPolarHBondContact O-CD 3.35Å; S99-P101 VanDerWaalsContact O-N 3.11Å | ||
| 100 | D | 63.2 | Low | 57.5 | Low | 102 Ų | 102 | 134.9 Ų | 134.9 | 55% | 0.545 | 79% | 0.793 | S | S | . | * | trans | -56.3 | 115.4 | 174.1 | -173.1 | -16.6 | 0 | 0 | 0 | 107.5 | Q98 N102 K103 | Q98-D100 PolarHBondContact O-N 3.33Å; D100-N102 PolarHBondContact O-N 2.91Å; D100-N102 WeakPolarHBondContact OD1-CB 3.48Å; D100-N102 PolarHBondContact OD1-N 3.25Å; D100-K103 HydrophobicContact CB-CB 4.41Å; D100-K103 WeakPolarHBondContact O-CB 3.01Å; D100-K103 PolarHBondContact O-N 2.84Å | ||
| 101 | P | 65 | Low | 56.4 | Low | 136 Ų | 136 | 136.6 Ų | 136.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -9 | 178.7 | 25.2 | -32.2 | 0 | 0 | 0 | 112.2 | S99 | S99-P101 VanDerWaalsContact O-CD 3.27Å; S99-P101 WeakPolarHBondContact O-CD 3.35Å; S99-P101 VanDerWaalsContact O-N 3.11Å |
| 102 | N | 65 | Low | 55.7 | Low | 138 Ų | 138 | 138.8 Ų | 138.8 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 14.3 | 176.4 | -140 | 4.8 | 0 | 0 | 0 | 113.6 | D100 P104 | D100-N102 PolarHBondContact O-N 2.91Å; D100-N102 WeakPolarHBondContact OD1-CB 3.48Å; D100-N102 PolarHBondContact OD1-N 3.25Å; N102-P104 WeakPolarHBondContact O-CD 3.1Å |
| 103 | K | 59.3 | Low | 55.4 | Low | 168 Ų | 168 | 138.2 Ų | 138.2 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -70.1 | 111.9 | 173.1 | -167.6 | -178.8 | -174.7 | -168 | 0 | 109.1 | D100 S105 | D100-K103 HydrophobicContact CB-CB 4.41Å; D100-K103 WeakPolarHBondContact O-CB 3.01Å; D100-K103 PolarHBondContact O-N 2.84Å; K103-S105 PolarHBondContact O-N 3.33Å | ||
| 104 | P | 55.6 | Low | 55.8 | Low | 111 Ų | 111 | 137.2 Ų | 137.2 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -62 | 126.4 | 174.2 | 25.3 | -31.5 | 0 | 0 | 0 | 108.5 | N102 S106 | N102-P104 WeakPolarHBondContact O-CD 3.1Å; P104-S106 PolarHBondContact O-N 3.03Å | ||
| 105 | S | 58.9 | Low | 56.2 | Low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -63.6 | 105.9 | 173.9 | -160.8 | 0 | 0 | 0 | 0 | 107.6 | K103 S107 | K103-S105 PolarHBondContact O-N 3.33Å; S105-S107 PolarHBondContact O-N 2.77Å | ||
| 106 | S | 56.7 | Low | 56.9 | Low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 83.7 | 170 | 56.9 | 0 | 0 | 0 | 0 | 107.9 | P104 N108 | P104-S106 PolarHBondContact O-N 3.03Å; S106-N108 PolarHBondContact O-N 3.47Å | ||
| 107 | S | 59.8 | Low | 57.8 | Low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 103.3 | 157.1 | 56.6 | 0 | 0 | 0 | 0 | 107 | S105 | S105-S107 PolarHBondContact O-N 2.77Š| ||
| 108 | N | 55.5 | Low | 58.2 | Low | 157 Ų | 157 | 131.9 Ų | 131.9 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -65.3 | 140.2 | 159.4 | -83.8 | -18.7 | 0 | 0 | 0 | 108.1 | S106 | S106-N108 PolarHBondContact O-N 3.47Š| ||
| 109 | A | 51.9 | Low | 58.9 | Low | 174 Ų | 174 | 128.6 Ų | 128.6 | 100% | 1.438 | 81% | 0.809 | S | S | * | * | trans | -54.4 | 0 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 109 of 109 residues in 28.7 ms
(Link to these results)