| 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 | 37.9 | Very low | 43.8 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 100% | 1.207 | 81% | 0.807 | S | S | * | * | 0 | -177.2 | 0 | -79 | 176.4 | 134.9 | 0 | 0 | 108.7 | |||||
| 2 | L | 42.1 | Very low | 43.7 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -49.8 | 151 | 175.9 | -75.1 | 60.1 | 0 | 0 | 0 | 110.6 | ||||
| 3 | G | 42.4 | Very low | 44.3 | Very low | 77 Ų | 77 | 145.3 Ų | 145.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | 92 | 146.8 | 54.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 4 | Q | 39.5 | Very low | 44.5 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | cis | -150.4 | 157.4 | 14.2 | -173.2 | 173.3 | 10.1 | 0 | 0 | 108.8 | H6 | Q4-H6 PolarHBondContact O-N 3.15Š| ||
| 5 | R | 44.6 | Very low | 45 | Very low | 229 Ų | 229 | 138.6 Ų | 138.6 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -72.9 | 121.6 | 177.1 | -62.5 | 177.6 | -173.6 | 160.2 | 1 | 110.1 | V7 | R5-V7 PolarHBondContact O-N 3.33Š| ||
| 6 | H | 40.2 | Very low | 45.1 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -85 | 93.6 | 159.6 | -152.1 | -33.5 | 0 | 0 | 0 | 108.4 | Q4 G8 | Q4-H6 PolarHBondContact O-N 3.15Å; H6-G8 PolarHBondContact O-N 2.62Å | ||
| 7 | V | 45.9 | Very low | 45.3 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | -70.8 | 124.1 | 162.5 | 174 | 0 | 0 | 0 | 0 | 106.4 | R5 T9 | R5-V7 PolarHBondContact O-N 3.33Å; V7-T9 PolarHBondContact O-N 2.87Å | ||
| 8 | G | 44.3 | Very low | 45.6 | Very low | 57 Ų | 57 | 138.2 Ų | 138.2 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | trans | -76.5 | 105.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | H6 D10 | H6-G8 PolarHBondContact O-N 2.62Å; G8-D10 PolarHBondContact O-N 3.12Å | ||
| 9 | T | 45.1 | Very low | 45.7 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | trans | -80.2 | 80.6 | 173.3 | -51.8 | 0 | 0 | 0 | 0 | 108.1 | V7 I11 | V7-T9 PolarHBondContact O-N 2.87Å; T9-I11 HydrophobicContact CG2-CG1 4.25Å; T9-I11 PolarHBondContact O-N 3.27Å | ||
| 10 | D | 47.7 | Very low | 45.8 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -60.9 | 103.9 | 165.4 | -72.1 | -40.7 | 0 | 0 | 0 | 107.7 | G8 P12 | G8-D10 PolarHBondContact O-N 3.12Å; D10-P12 WeakPolarHBondContact O-CD 2.92Å | ||
| 11 | I | 52.3 | Low | 46.1 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | trans | -77.8 | 113.2 | 173.7 | -61.5 | 176.3 | 0 | 0 | 0 | 106.6 | T9 V13 | T9-I11 HydrophobicContact CG2-CG1 4.25Å; T9-I11 PolarHBondContact O-N 3.27Å; I11-V13 HydrophobicContact CG2-CG2 4.41Å; I11-V13 PolarHBondContact O-N 3.34Å | ||
| 12 | P | 43 | Very low | 46.7 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -67.9 | 100.3 | 168 | 29.2 | -32.5 | 0 | 0 | 0 | 107.6 | D10 S14 | D10-P12 WeakPolarHBondContact O-CD 2.92Å; P12-S14 PolarHBondContact O-N 3.2Å | ||
| 13 | V | 50.8 | Low | 47.2 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 78% | 0.782 | 70% | 0.696 | S | S | * | * | trans | -70.3 | 84.4 | 166.9 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | I11 | I11-V13 HydrophobicContact CG2-CG2 4.41Å; I11-V13 PolarHBondContact O-N 3.34Å | ||
| 14 | S | 47.9 | Very low | 48.1 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 125.6 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | P12 | P12-S14 PolarHBondContact O-N 3.2Š|
| 15 | P | 50.8 | Low | 49.4 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 143.2 | 170.8 | -23 | 33.7 | 0 | 0 | 0 | 109.8 | H17 | P15-H17 PolarHBondContact O-N 3.17Å; P15-H17 VanDerWaalsContact O-N 3.13Å |
| 16 | P | 46.7 | Very low | 50.8 | Low | 119 Ų | 119 | 108 Ų | 108 | 77% | 0.773 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 120.7 | 173 | 25.5 | -32.8 | 0 | 0 | 0 | 109.1 | L18 | P16-L18 PolarHBondContact O-N 2.85Š|
| 17 | H | 49.4 | Very low | 52.6 | Low | 133 Ų | 133 | 103.6 Ų | 103.6 | 62% | 0.616 | 62% | 0.622 | S | S | * | * | trans | -69.9 | 71.7 | 177.3 | -91.5 | -120.1 | 0 | 0 | 0 | 110.9 | P15 S19 D20 | P15-H17 PolarHBondContact O-N 3.17Å; P15-H17 VanDerWaalsContact O-N 3.13Å; H17-S19 PolarHBondContact O-N 2.83Å; H17-D20 HydrophobicContact CB-CB 4.27Å; H17-D20 IonicContact CE1-OD2 3.76Å; H17-D20 IonicContact CG-OD1 3.81Å; H17-D20 IonicContact CG-OD2 3.65Å; H17-D20 IonicContact ND1-OD1 3.04Å; H17-D20 PolarHBondContact ND1-OD1 3.07Å; H17-D20 IonicContact ND1-OD2 2.8Å; H17-D20 PolarHBondContact ND1-OD2 3.24Å; H17-D20 PolarHBondContact O-N 3.11Å | ||
| 18 | L | 50.9 | Low | 54.3 | Low | 156 Ų | 156 | 102.1 Ų | 102.1 | 82% | 0.817 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -22.8 | 179.5 | -157.2 | 75.9 | 0 | 0 | 0 | 112.1 | P16 | P16-L18 PolarHBondContact O-N 2.85Š|
| 19 | S | 47.5 | Very low | 55.8 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -44 | 178.9 | -51.7 | 0 | 0 | 0 | 0 | 112.7 | H17 G21 L22 M23 | H17-S19 PolarHBondContact O-N 2.83Å; S19-G21 PolarHBondContact O-N 2.93Å; S19-L22 WeakPolarHBondContact O-CB 3.38Å; S19-L22 PolarHBondContact O-N 2.85Å; S19-L22 VanDerWaalsContact O-N 3.11Å; S19-M23 PolarHBondContact O-N 2.91Å |
| 20 | D | 47.7 | Very low | 57.6 | Low | 91 Ų | 91 | 98.8 Ų | 98.8 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.6 | -41 | -171.4 | -58.6 | 23.9 | 0 | 0 | 0 | 110.9 | H17 L22 M23 D24 | H17-D20 HydrophobicContact CB-CB 4.27Å; H17-D20 IonicContact CE1-OD2 3.76Å; H17-D20 IonicContact CG-OD1 3.81Å; H17-D20 IonicContact CG-OD2 3.65Å; H17-D20 IonicContact ND1-OD1 3.04Å; H17-D20 PolarHBondContact ND1-OD1 3.07Å; H17-D20 IonicContact ND1-OD2 2.8Å; H17-D20 PolarHBondContact ND1-OD2 3.24Å; H17-D20 PolarHBondContact O-N 3.11Å; D20-L22 PolarHBondContact O-N 3.23Å; D20-M23 PolarHBondContact O-N 3.23Å; D20-D24 WeakPolarHBondContact O-CB 3.42Å; D20-D24 PolarHBondContact O-N 3.47Å |
| 21 | G | 51.7 | Low | 59.3 | Low | 50 Ų | 50 | 94.2 Ų | 94.2 | 52% | 0.515 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -16.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S19 G25 | S19-G21 PolarHBondContact O-N 2.93Å; G21-G25 PolarHBondContact O-N 3.28Å |
| 22 | L | 49.9 | Very low | 60.7 | Low | 125 Ų | 125 | 91.2 Ų | 91.2 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.2 | -49.2 | 173.2 | -165.7 | 75.4 | 0 | 0 | 0 | 110.7 | S19 D20 G25 E26 | S19-L22 WeakPolarHBondContact O-CB 3.38Å; S19-L22 PolarHBondContact O-N 2.85Å; S19-L22 VanDerWaalsContact O-N 3.11Å; D20-L22 PolarHBondContact O-N 3.23Å; L22-G25 PolarHBondContact O-N 3.47Å; L22-E26 PolarHBondContact O-N 3.19Å; L22-E26 VanDerWaalsContact O-N 3.13Å |
| 23 | M | 52.8 | Low | 62.6 | Low | 116 Ų | 116 | 88.3 Ų | 88.3 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.4 | -38.5 | 177.7 | -71.2 | -94.9 | 69.8 | 0 | 0 | 112.2 | S19 D20 E26 T27 | S19-M23 PolarHBondContact O-N 2.91Å; D20-M23 PolarHBondContact O-N 3.23Å; M23-E26 WeakPolarHBondContact CE-OE2 3.35Å; M23-E26 PolarHBondContact O-N 2.97Å; M23-T27 WeakPolarHBondContact O-CB 3.49Å; M23-T27 PolarHBondContact O-N 3.3Å; M23-T27 PolarHBondContact O-OG1 2.9Å |
| 24 | D | 61.7 | Low | 64.2 | Low | 92 Ų | 92 | 86.9 Ų | 86.9 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 169.6 | 178.6 | 31 | 0 | 0 | 0 | 111 | D20 E26 T27 T28 | D20-D24 WeakPolarHBondContact O-CB 3.42Å; D20-D24 PolarHBondContact O-N 3.47Å; D24-E26 PolarHBondContact O-N 2.98Å; D24-T27 PolarHBondContact O-N 2.99Å; D24-T27 VanDerWaalsContact O-N 3.1Å; D24-T28 WeakPolarHBondContact O-CB 3.3Å; D24-T28 PolarHBondContact O-N 2.97Å; D24-T28 PolarHBondContact O-OG1 3.08Å; D24-T28 PolarHBondContact OD1-OG1 3.23Å |
| 25 | G | 66.7 | Low | 66 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -54.2 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G21 L22 R29 | G21-G25 PolarHBondContact O-N 3.28Å; L22-G25 PolarHBondContact O-N 3.47Å; G25-R29 WeakPolarHBondContact O-CB 3.41Å; G25-R29 PolarHBondContact O-N 3.26Å |
| 26 | E | 73.8 | Confident | 67.6 | Low | 94 Ų | 94 | 80 Ų | 80 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76.1 | -42.4 | 174.7 | -64.4 | -172.3 | 128.6 | 0 | 0 | 112.7 | L22 M23 D24 R29 A30 F85 | L22-E26 PolarHBondContact O-N 3.19Å; L22-E26 VanDerWaalsContact O-N 3.13Å; M23-E26 WeakPolarHBondContact CE-OE2 3.35Å; M23-E26 PolarHBondContact O-N 2.97Å; D24-E26 PolarHBondContact O-N 2.98Å; E26-R29 PolarHBondContact O-N 3.29Å; E26-A30 PolarHBondContact O-N 3.39Å; E26-F85 HydrophobicContact CG-CZ 4.22Å |
| 27 | T | 79.1 | Confident | 69.5 | Low | 94 Ų | 94 | 77.4 Ų | 77.4 | 58% | 0.577 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.2 | -50.3 | -179.3 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | M23 D24 R29 A30 A31 | M23-T27 WeakPolarHBondContact O-CB 3.49Å; M23-T27 PolarHBondContact O-N 3.3Å; M23-T27 PolarHBondContact O-OG1 2.9Å; D24-T27 PolarHBondContact O-N 2.99Å; D24-T27 VanDerWaalsContact O-N 3.1Å; T27-R29 VanDerWaalsContact C-N 3.29Å; T27-R29 PolarHBondContact O-N 3.05Å; T27-A30 WeakPolarHBondContact O-CB 3.2Å; T27-A30 PolarHBondContact O-N 2.98Å; T27-A30 VanDerWaalsContact O-N 3.16Å; T27-A31 PolarHBondContact O-N 3.42Å |
| 28 | T | 80.6 | Confident | 71.3 | Confident | 67 Ų | 67 | 77 Ų | 77 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.8 | -44.9 | 172.2 | -77.7 | 0 | 0 | 0 | 0 | 110.4 | D24 A30 A31 L32 | D24-T28 WeakPolarHBondContact O-CB 3.3Å; D24-T28 PolarHBondContact O-N 2.97Å; D24-T28 PolarHBondContact O-OG1 3.08Å; D24-T28 PolarHBondContact OD1-OG1 3.23Å; T28-A30 PolarHBondContact O-N 3.4Å; T28-A31 WeakPolarHBondContact O-CB 3.33Å; T28-A31 PolarHBondContact O-N 3.17Å; T28-L32 HydrophobicContact CG2-CD1 4.34Å; T28-L32 HydrophobicContact CG2-CG 4.46Å; T28-L32 WeakPolarHBondContact O-CG 3.5Å; T28-L32 PolarHBondContact O-N 3.27Å |
| 29 | R | 75.7 | Confident | 73.1 | Confident | 47 Ų | 47 | 72 Ų | 72 | 18% | 0.177 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 177.1 | 168.8 | -99.1 | -159.7 | 74.5 | 37.4 | 113.3 | G25 E26 T27 L32 L33 S81 F85 | G25-R29 WeakPolarHBondContact O-CB 3.41Å; G25-R29 PolarHBondContact O-N 3.26Å; E26-R29 PolarHBondContact O-N 3.29Å; T27-R29 VanDerWaalsContact C-N 3.29Å; T27-R29 PolarHBondContact O-N 3.05Å; R29-L32 PolarHBondContact O-N 2.93Å; R29-L33 WeakPolarHBondContact O-CG 3.34Å; R29-L33 PolarHBondContact O-N 3.25Å; R29-L33 VanDerWaalsContact O-N 3.1Å; R29-S81 PolarHBondContact O-OG 3.21Å; R29-F85 HydrophobicContact CB-CE2 3.8Å; R29-F85 HydrophobicContact CG-CD2 3.81Å; R29-F85 HydrophobicContact CG-CE2 3.16Å; R29-F85 HydrophobicContact CG-CZ 4.08Å |
| 30 | A | 82.6 | Confident | 74.9 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 45% | 0.446 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E26 T27 T28 L33 L34 | E26-A30 PolarHBondContact O-N 3.39Å; T27-A30 WeakPolarHBondContact O-CB 3.2Å; T27-A30 PolarHBondContact O-N 2.98Å; T27-A30 VanDerWaalsContact O-N 3.16Å; T28-A30 PolarHBondContact O-N 3.4Å; A30-L33 PolarHBondContact O-N 3.12Å; A30-L34 WeakPolarHBondContact O-CB 3.45Å; A30-L34 PolarHBondContact O-N 3.14Å |
| 31 | A | 84.6 | Confident | 76.7 | Confident | 58 Ų | 58 | 70.2 Ų | 70.2 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T27 T28 L34 S35 | T27-A31 PolarHBondContact O-N 3.42Å; T28-A31 WeakPolarHBondContact O-CB 3.33Å; T28-A31 PolarHBondContact O-N 3.17Å; A31-L34 PolarHBondContact O-N 2.86Å; A31-S35 VanDerWaalsContact O-CB 3.29Å; A31-S35 WeakPolarHBondContact O-CB 3.41Å; A31-S35 PolarHBondContact O-N 3.06Å |
| 32 | L | 81.4 | Confident | 78.4 | Confident | 66 Ų | 66 | 70.8 Ų | 70.8 | 35% | 0.346 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 172.8 | -67.5 | 174.3 | 0 | 0 | 0 | 111.6 | T28 R29 G36 F77 | T28-L32 HydrophobicContact CG2-CD1 4.34Å; T28-L32 HydrophobicContact CG2-CG 4.46Å; T28-L32 WeakPolarHBondContact O-CG 3.5Å; T28-L32 PolarHBondContact O-N 3.27Å; R29-L32 PolarHBondContact O-N 2.93Å; L32-G36 PolarHBondContact O-N 3.47Å; L32-F77 HydrophobicContact CB-CE1 4.21Å; L32-F77 HydrophobicContact CD2-CD1 4.34Å; L32-F77 HydrophobicContact CD2-CE1 3.37Å; L32-F77 HydrophobicContact CD2-CE2 4.38Å; L32-F77 HydrophobicContact CD2-CZ 3.4Å; L32-F77 VanDerWaalsContact CD2-CZ 3.4Å; L32-F77 HydrophobicContact CG-CE1 4.39Å; L32-F77 WeakPolarHBondContact O-CD1 3.29Å |
| 33 | L | 83 | Confident | 80.2 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 174.6 | -68.5 | 171.9 | 0 | 0 | 0 | 111.4 | R29 A30 S35 G36 V37 M78 S81 V82 | R29-L33 WeakPolarHBondContact O-CG 3.34Å; R29-L33 PolarHBondContact O-N 3.25Å; R29-L33 VanDerWaalsContact O-N 3.1Å; A30-L33 PolarHBondContact O-N 3.12Å; L33-S35 PolarHBondContact O-N 3.48Å; L33-G36 CarbonylContact O-C 3.57Å; L33-G36 WeakPolarHBondContact O-CA 3.36Å; L33-G36 PolarHBondContact O-N 2.98Å; L33-G36 VanDerWaalsContact O-N 3.08Å; L33-V37 PolarHBondContact O-N 3.33Å; L33-M78 HydrophobicContact CB-SD 4.18Å; L33-M78 HydrophobicContact CD2-SD 3.56Å; L33-M78 VanDerWaalsContact CD2-SD 3.56Å; L33-M78 HydrophobicContact CG-SD 4.48Å; L33-M78 WeakPolarHBondContact O-CE 3.27Å; L33-S81 WeakPolarHBondContact CD2-OG 3.32Å; L33-S81 WeakPolarHBondContact CG-OG 3.43Å; L33-V82 HydrophobicContact CD2-CG1 3.86Å |
| 34 | L | 84.6 | Confident | 81.7 | Confident | 98 Ų | 98 | 63 Ų | 63 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | -179.5 | -175.3 | 66.3 | 0 | 0 | 0 | 112 | A30 A31 G36 V37 F38 | A30-L34 WeakPolarHBondContact O-CB 3.45Å; A30-L34 PolarHBondContact O-N 3.14Å; A31-L34 PolarHBondContact O-N 2.86Å; L34-G36 VanDerWaalsContact C-N 3.32Å; L34-G36 PolarHBondContact O-N 3.39Å; L34-V37 WeakPolarHBondContact O-CB 3.35Å; L34-V37 PolarHBondContact O-N 2.71Å; L34-F38 HydrophobicContact CD1-CD2 4.28Å; L34-F38 HydrophobicContact CD1-CE2 3.74Å; L34-F38 HydrophobicContact CD1-CZ 4.46Å; L34-F38 HydrophobicContact CD2-CE2 4.2Å; L34-F38 HydrophobicContact CG-CD2 4.01Å; L34-F38 HydrophobicContact CG-CE2 3.69Å; L34-F38 VanDerWaalsContact O-CD2 3.24Å; L34-F38 WeakPolarHBondContact O-CD2 3.44Å; L34-F38 PolarHBondContact O-N 2.85Å |
| 35 | S | 84.4 | Confident | 82.8 | Confident | 46 Ų | 46 | 61.6 Ų | 61.6 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | A31 L33 V37 F38 L39 | A31-S35 VanDerWaalsContact O-CB 3.29Å; A31-S35 WeakPolarHBondContact O-CB 3.41Å; A31-S35 PolarHBondContact O-N 3.06Å; L33-S35 PolarHBondContact O-N 3.48Å; S35-V37 PolarHBondContact O-N 2.95Å; S35-F38 PolarHBondContact O-N 2.89Å; S35-L39 WeakPolarHBondContact O-CD1 3.42Å; S35-L39 PolarHBondContact O-N 3.48Å |
| 36 | G | 85.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L32 L33 L34 A40 | L32-G36 PolarHBondContact O-N 3.47Å; L33-G36 CarbonylContact O-C 3.57Å; L33-G36 WeakPolarHBondContact O-CA 3.36Å; L33-G36 PolarHBondContact O-N 2.98Å; L33-G36 VanDerWaalsContact O-N 3.08Å; L34-G36 VanDerWaalsContact C-N 3.32Å; L34-G36 PolarHBondContact O-N 3.39Å; G36-A40 WeakPolarHBondContact O-CB 3.04Å; G36-A40 PolarHBondContact O-N 2.85Å |
| 37 | V | 86.6 | Confident | 84 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 39% | 0.394 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 173 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | L33 L34 S35 A40 M41 M78 | L33-V37 PolarHBondContact O-N 3.33Å; L34-V37 WeakPolarHBondContact O-CB 3.35Å; L34-V37 PolarHBondContact O-N 2.71Å; S35-V37 PolarHBondContact O-N 2.95Å; V37-A40 PolarHBondContact O-N 2.88Å; V37-M41 HydrophobicContact CG1-CG 4.05Å; V37-M41 WeakPolarHBondContact O-CB 3.25Å; V37-M41 VanDerWaalsContact O-CG 3.32Å; V37-M41 WeakPolarHBondContact O-CG 3.17Å; V37-M41 PolarHBondContact O-N 3.26Å; V37-M78 HydrophobicContact CB-CE 4.29Å; V37-M78 HydrophobicContact CG2-CE 3.28Å |
| 38 | F | 87.6 | Confident | 84 | Confident | 124 Ų | 124 | 60.4 Ų | 60.4 | 54% | 0.544 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | -178.3 | -77.3 | -61.5 | 0 | 0 | 0 | 112.2 | L34 S35 A40 M41 V42 | L34-F38 HydrophobicContact CD1-CD2 4.28Å; L34-F38 HydrophobicContact CD1-CE2 3.74Å; L34-F38 HydrophobicContact CD1-CZ 4.46Å; L34-F38 HydrophobicContact CD2-CE2 4.2Å; L34-F38 HydrophobicContact CG-CD2 4.01Å; L34-F38 HydrophobicContact CG-CE2 3.69Å; L34-F38 VanDerWaalsContact O-CD2 3.24Å; L34-F38 WeakPolarHBondContact O-CD2 3.44Å; L34-F38 PolarHBondContact O-N 2.85Å; S35-F38 PolarHBondContact O-N 2.89Å; F38-A40 PolarHBondContact O-N 2.92Å; F38-M41 PolarHBondContact O-N 3.15Å; F38-V42 WeakPolarHBondContact O-CB 3.31Å; F38-V42 VanDerWaalsContact O-CG2 3.24Å; F38-V42 WeakPolarHBondContact O-CG2 3.43Å; F38-V42 PolarHBondContact O-N 3.31Å |
| 39 | L | 87 | Confident | 83.7 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 174.9 | -94.8 | 67.8 | 0 | 0 | 0 | 112.1 | S35 G43 L70 V73 | S35-L39 WeakPolarHBondContact O-CD1 3.42Å; S35-L39 PolarHBondContact O-N 3.48Å; L39-G43 PolarHBondContact O-N 3.25Å; L39-L70 HydrophobicContact CG-CD2 4.17Å; L39-V73 HydrophobicContact CD2-CG1 3.91Å |
| 40 | A | 85.9 | Confident | 83.5 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G36 V37 F38 V42 G43 V44 | G36-A40 WeakPolarHBondContact O-CB 3.04Å; G36-A40 PolarHBondContact O-N 2.85Å; V37-A40 PolarHBondContact O-N 2.88Å; F38-A40 PolarHBondContact O-N 2.92Å; A40-V42 PolarHBondContact O-N 2.93Å; A40-G43 PolarHBondContact O-N 2.93Å; A40-V44 WeakPolarHBondContact O-CB 3.24Å; A40-V44 VanDerWaalsContact O-CG2 3.32Å; A40-V44 WeakPolarHBondContact O-CG2 3.49Å; A40-V44 PolarHBondContact O-N 3.33Å |
| 41 | M | 86.5 | Confident | 82.8 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 177.1 | -74.5 | -64.1 | -64.1 | 0 | 0 | 112.6 | V37 F38 T45 | V37-M41 HydrophobicContact CG1-CG 4.05Å; V37-M41 WeakPolarHBondContact O-CB 3.25Å; V37-M41 VanDerWaalsContact O-CG 3.32Å; V37-M41 WeakPolarHBondContact O-CG 3.17Å; V37-M41 PolarHBondContact O-N 3.26Å; F38-M41 PolarHBondContact O-N 3.15Å; M41-T45 WeakPolarHBondContact O-CG2 3.33Å; M41-T45 PolarHBondContact O-N 2.88Å; M41-T45 PolarHBondContact O-OG1 3.31Å |
| 42 | V | 86.3 | Confident | 81.8 | Confident | 62 Ų | 62 | 74 Ų | 74 | 38% | 0.376 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 174 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | F38 A40 V44 T45 F46 L70 | F38-V42 WeakPolarHBondContact O-CB 3.31Å; F38-V42 VanDerWaalsContact O-CG2 3.24Å; F38-V42 WeakPolarHBondContact O-CG2 3.43Å; F38-V42 PolarHBondContact O-N 3.31Å; A40-V42 PolarHBondContact O-N 2.93Å; V42-V44 PolarHBondContact O-N 3.34Å; V42-T45 WeakPolarHBondContact CA-OG1 3.39Å; V42-T45 PolarHBondContact O-N 2.99Å; V42-T45 PolarHBondContact O-OG1 3.47Å; V42-T45 VanDerWaalsContact O-OG1 3.09Å; V42-F46 HydrophobicContact CG1-CD2 3.79Å; V42-F46 HydrophobicContact CG1-CE2 4.01Å; V42-F46 WeakPolarHBondContact O-CB 3.42Å; V42-F46 WeakPolarHBondContact O-CD2 3.47Å; V42-F46 PolarHBondContact O-N 2.9Å; V42-L70 HydrophobicContact CG1-CD1 4.23Å |
| 43 | G | 87 | Confident | 80.7 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | L39 A40 T47 G67 | L39-G43 PolarHBondContact O-N 3.25Å; A40-G43 PolarHBondContact O-N 2.93Å; G43-T47 WeakPolarHBondContact O-CB 3.48Å; G43-T47 PolarHBondContact O-N 3.44Å; G43-T47 PolarHBondContact O-OG1 3.3Å; G43-G67 WeakPolarHBondContact O-CA 3.47Å |
| 44 | V | 85.3 | Confident | 79.5 | Confident | 77 Ų | 77 | 81.4 Ų | 81.4 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 174.2 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | A40 V42 T47 A48 I71 | A40-V44 WeakPolarHBondContact O-CB 3.24Å; A40-V44 VanDerWaalsContact O-CG2 3.32Å; A40-V44 WeakPolarHBondContact O-CG2 3.49Å; A40-V44 PolarHBondContact O-N 3.33Å; V42-V44 PolarHBondContact O-N 3.34Å; V44-T47 PolarHBondContact O-N 3.09Å; V44-A48 WeakPolarHBondContact O-CB 3.46Å; V44-A48 PolarHBondContact O-N 2.86Å; V44-I71 HydrophobicContact CG2-CD1 3.91Å; V44-I71 HydrophobicContact CG2-CG1 4.15Å |
| 45 | T | 85.3 | Confident | 78.1 | Confident | 63 Ų | 63 | 86.7 Ų | 86.7 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 177.4 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | M41 V42 A48 M49 | M41-T45 WeakPolarHBondContact O-CG2 3.33Å; M41-T45 PolarHBondContact O-N 2.88Å; M41-T45 PolarHBondContact O-OG1 3.31Å; V42-T45 WeakPolarHBondContact CA-OG1 3.39Å; V42-T45 PolarHBondContact O-N 2.99Å; V42-T45 PolarHBondContact O-OG1 3.47Å; V42-T45 VanDerWaalsContact O-OG1 3.09Å; T45-A48 PolarHBondContact O-N 3.01Å; T45-M49 WeakPolarHBondContact O-CB 3.32Å; T45-M49 VanDerWaalsContact O-CG 3.29Å; T45-M49 WeakPolarHBondContact O-CG 3.44Å; T45-M49 PolarHBondContact O-N 3.39Å |
| 46 | F | 81.4 | Confident | 76.6 | Confident | 88 Ų | 88 | 88.5 Ų | 88.5 | 39% | 0.386 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 169.4 | -97.7 | -84.7 | 0 | 0 | 0 | 112.5 | V42 G50 L66 L70 | V42-F46 HydrophobicContact CG1-CD2 3.79Å; V42-F46 HydrophobicContact CG1-CE2 4.01Å; V42-F46 WeakPolarHBondContact O-CB 3.42Å; V42-F46 WeakPolarHBondContact O-CD2 3.47Å; V42-F46 PolarHBondContact O-N 2.9Å; F46-G50 PolarHBondContact O-N 2.81Å; F46-L66 HydrophobicContact CD1-CD2 4.5Å; F46-L66 HydrophobicContact CE1-CD2 4.32Å; F46-L70 HydrophobicContact CD2-CD1 4.46Å |
| 47 | T | 83.7 | Confident | 75.1 | Confident | 54 Ų | 54 | 94.4 Ų | 94.4 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.7 | -54 | 0 | 0 | 0 | 0 | 111.2 | G43 V44 G50 W51 G67 | G43-T47 WeakPolarHBondContact O-CB 3.48Å; G43-T47 PolarHBondContact O-N 3.44Å; G43-T47 PolarHBondContact O-OG1 3.3Å; V44-T47 PolarHBondContact O-N 3.09Å; T47-G50 PolarHBondContact O-N 3.02Å; T47-W51 PolarHBondContact O-N 3.47Å; T47-G67 WeakPolarHBondContact OG1-CA 3.34Å |
| 48 | A | 78.8 | Confident | 73.6 | Confident | 57 Ų | 57 | 99.7 Ų | 99.7 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | V44 T45 G50 W51 H52 | V44-A48 WeakPolarHBondContact O-CB 3.46Å; V44-A48 PolarHBondContact O-N 2.86Å; T45-A48 PolarHBondContact O-N 3.01Å; A48-G50 VanDerWaalsContact C-N 3.32Å; A48-W51 PolarHBondContact O-N 3.5Å; A48-H52 WeakPolarHBondContact O-CB 3.46Å; A48-H52 PolarHBondContact O-N 2.89Å |
| 49 | M | 74.6 | Confident | 72 | Confident | 123 Ų | 123 | 96.6 Ų | 96.6 | 61% | 0.606 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 172.4 | -71.8 | -176.2 | -171.2 | 0 | 0 | 111.1 | T45 W51 H52 H53 | T45-M49 WeakPolarHBondContact O-CB 3.32Å; T45-M49 VanDerWaalsContact O-CG 3.29Å; T45-M49 WeakPolarHBondContact O-CG 3.44Å; T45-M49 PolarHBondContact O-N 3.39Å; M49-W51 VanDerWaalsContact C-N 3.28Å; M49-W51 PolarHBondContact O-N 2.87Å; M49-H52 PolarHBondContact O-N 3.39Å; M49-H53 PolarHBondContact O-N 3.17Å |
| 50 | G | 72 | Confident | 70.5 | Confident | 10 Ų | 10 | 96.2 Ų | 96.2 | 10% | 0.103 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -62.2 | -34.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F46 T47 A48 | F46-G50 PolarHBondContact O-N 2.81Å; T47-G50 PolarHBondContact O-N 3.02Å; A48-G50 VanDerWaalsContact C-N 3.32Å |
| 51 | W | 67.1 | Low | 69.2 | Low | 223 Ų | 223 | 101.4 Ų | 101.4 | 85% | 0.845 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.6 | -36.3 | 174.6 | -163 | -88.4 | 0 | 0 | 0 | 113.2 | T47 A48 M49 | T47-W51 PolarHBondContact O-N 3.47Å; A48-W51 PolarHBondContact O-N 3.5Å; M49-W51 VanDerWaalsContact C-N 3.28Å; M49-W51 PolarHBondContact O-N 2.87Å |
| 52 | H | 64 | Low | 68.2 | Low | 156 Ų | 156 | 105.9 Ų | 105.9 | 72% | 0.722 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -93.6 | -32.4 | -171.3 | -165.4 | -45.7 | 0 | 0 | 0 | 114.6 | A48 M49 | A48-H52 WeakPolarHBondContact O-CB 3.46Å; A48-H52 PolarHBondContact O-N 2.89Å; M49-H52 PolarHBondContact O-N 3.39Å |
| 53 | H | 59 | Low | 67.2 | Low | 136 Ų | 136 | 105.2 Ų | 105.2 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -106.5 | -17.1 | -165.5 | -92.3 | 51 | 0 | 0 | 0 | 116.6 | M49 | M49-H53 PolarHBondContact O-N 3.17Å |
| 54 | Y | 57.9 | Low | 66.3 | Low | 132 Ų | 132 | 109.8 Ų | 109.8 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | trans | -139.4 | 68.6 | -164.2 | -73 | -77.3 | 0 | 0 | 0 | 115.2 | A56 F60 | Y54-A56 VanDerWaalsContact C-N 3.27Å; Y54-A56 PolarHBondContact O-N 2.98Å; Y54-F60 VanDerWaalsContact CB-CE2 3.45Å; Y54-F60 VanDerWaalsContact CB-CZ 3.49Å; Y54-F60 HydrophobicContact CD1-CD2 4.29Å; Y54-F60 HydrophobicContact CD1-CE2 4.13Å; Y54-F60 HydrophobicContact CD2-CD2 4.34Å; Y54-F60 AromaticContact CD2-CE2 3.44Å; Y54-F60 HydrophobicContact CD2-CE2 3.44Å; Y54-F60 VanDerWaalsContact CD2-CE2 3.44Å; Y54-F60 AromaticContact CD2-CZ 3.6Å; Y54-F60 HydrophobicContact CD2-CZ 3.6Å; Y54-F60 HydrophobicContact CE2-CE2 4.21Å; Y54-F60 AromaticContact CG-CD2 3.85Å; Y54-F60 HydrophobicContact CG-CD2 3.85Å; Y54-F60 HydrophobicContact CG-CE1 4.48Å; Y54-F60 AromaticContact CG-CE2 3.39Å; Y54-F60 HydrophobicContact CG-CE2 3.39Å; Y54-F60 AromaticContact CG-CZ 3.77Å; Y54-F60 HydrophobicContact CG-CZ 3.77Å | ||
| 55 | Q | 53.8 | Low | 65.8 | Low | 209 Ų | 209 | 110.6 Ų | 110.6 | 98% | 0.977 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -80.9 | 1.5 | 172.7 | -137.4 | -175.1 | 31 | 0 | 0 | 114.4 | ||
| 56 | A | 53.1 | Low | 65.5 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 69% | 0.686 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -116.5 | -15 | -154.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | Y54 | Y54-A56 VanDerWaalsContact C-N 3.27Å; Y54-A56 PolarHBondContact O-N 2.98Å |
| 57 | L | 53.5 | Low | 65.6 | Low | 124 Ų | 124 | 106.7 Ų | 106.7 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | trans | -129.8 | 132.5 | -173.1 | -88.7 | 82.3 | 0 | 0 | 0 | 113.4 | G59 F60 | L57-G59 PolarHBondContact O-N 3.06Å; L57-G59 VanDerWaalsContact O-N 3.14Å; L57-F60 WeakPolarHBondContact O-CB 3.43Å; L57-F60 PolarHBondContact O-N 3.14Å; L57-F60 VanDerWaalsContact O-N 3.12Å | ||
| 58 | L | 55.5 | Low | 65.6 | Low | 176 Ų | 176 | 107.4 Ų | 107.4 | 92% | 0.921 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -65.7 | -16.2 | -177.1 | -79 | 79.4 | 0 | 0 | 0 | 114.9 | F60 | L58-F60 PolarHBondContact O-N 3.07Š|
| 59 | G | 55.4 | Low | 65.9 | Low | 60 Ų | 60 | 109 Ų | 109 | 62% | 0.619 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -65.7 | -12.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | L57 | L57-G59 PolarHBondContact O-N 3.06Å; L57-G59 VanDerWaalsContact O-N 3.14Å |
| 60 | F | 53.6 | Low | 66.3 | Low | 42 Ų | 42 | 104.9 Ų | 104.9 | 18% | 0.184 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -86 | -8.4 | -163.8 | -152.4 | -95.6 | 0 | 0 | 0 | 115.6 | Y54 L57 L58 W62 T63 Q64 | Y54-F60 VanDerWaalsContact CB-CE2 3.45Å; Y54-F60 VanDerWaalsContact CB-CZ 3.49Å; Y54-F60 HydrophobicContact CD1-CD2 4.29Å; Y54-F60 HydrophobicContact CD1-CE2 4.13Å; Y54-F60 HydrophobicContact CD2-CD2 4.34Å; Y54-F60 AromaticContact CD2-CE2 3.44Å; Y54-F60 HydrophobicContact CD2-CE2 3.44Å; Y54-F60 VanDerWaalsContact CD2-CE2 3.44Å; Y54-F60 AromaticContact CD2-CZ 3.6Å; Y54-F60 HydrophobicContact CD2-CZ 3.6Å; Y54-F60 HydrophobicContact CE2-CE2 4.21Å; Y54-F60 AromaticContact CG-CD2 3.85Å; Y54-F60 HydrophobicContact CG-CD2 3.85Å; Y54-F60 HydrophobicContact CG-CE1 4.48Å; Y54-F60 AromaticContact CG-CE2 3.39Å; Y54-F60 HydrophobicContact CG-CE2 3.39Å; Y54-F60 AromaticContact CG-CZ 3.77Å; Y54-F60 HydrophobicContact CG-CZ 3.77Å; L57-F60 WeakPolarHBondContact O-CB 3.43Å; L57-F60 PolarHBondContact O-N 3.14Å; L57-F60 VanDerWaalsContact O-N 3.12Å; L58-F60 PolarHBondContact O-N 3.07Å; F60-W62 VanDerWaalsContact C-N 3.27Å; F60-W62 PolarHBondContact O-N 3.33Å; F60-T63 WeakPolarHBondContact CA-OG1 3.49Å; F60-T63 WeakPolarHBondContact CD2-OG1 3.42Å; F60-T63 WeakPolarHBondContact CE2-OG1 3.46Å; F60-T63 VanDerWaalsContact CG-OG1 3.31Å; F60-T63 WeakPolarHBondContact CG-OG1 3.2Å; F60-T63 PolarHBondContact O-N 3.46Å; F60-T63 PolarHBondContact O-OG1 3.44Å; F60-Q64 WeakPolarHBondContact O-CB 3.43Å; F60-Q64 PolarHBondContact O-N 2.8Å |
| 61 | Q | 60.6 | Low | 66.9 | Low | 141 Ų | 141 | 107.6 Ų | 107.6 | 66% | 0.659 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.4 | -39.4 | 173.8 | -92.5 | -168.6 | -13.4 | 0 | 0 | 112.3 | Q64 L65 | Q61-Q64 PolarHBondContact O-N 3.28Å; Q61-L65 WeakPolarHBondContact O-CD1 3.37Å; Q61-L65 PolarHBondContact O-N 2.82Å |
| 62 | W | 64.2 | Low | 67.8 | Low | 208 Ų | 208 | 100.9 Ų | 100.9 | 79% | 0.788 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | -179.8 | -66.6 | 100.8 | 0 | 0 | 0 | 112.4 | F60 L65 L66 | F60-W62 VanDerWaalsContact C-N 3.27Å; F60-W62 PolarHBondContact O-N 3.33Å; W62-L65 PolarHBondContact O-N 3.49Å; W62-L66 WeakPolarHBondContact O-CB 3.47Å; W62-L66 PolarHBondContact O-N 2.88Å |
| 63 | T | 65.8 | Low | 68.9 | Low | 48 Ų | 48 | 97 Ų | 97 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.7 | -29.5 | 174.2 | 40.3 | 0 | 0 | 0 | 0 | 112.6 | F60 L66 | F60-T63 WeakPolarHBondContact CA-OG1 3.49Å; F60-T63 WeakPolarHBondContact CD2-OG1 3.42Å; F60-T63 WeakPolarHBondContact CE2-OG1 3.46Å; F60-T63 VanDerWaalsContact CG-OG1 3.31Å; F60-T63 WeakPolarHBondContact CG-OG1 3.2Å; F60-T63 PolarHBondContact O-N 3.46Å; F60-T63 PolarHBondContact O-OG1 3.44Å; T63-L66 WeakPolarHBondContact O-CB 3.33Å; T63-L66 PolarHBondContact O-N 3.23Å |
| 64 | Q | 67.8 | Low | 70.2 | Confident | 96 Ų | 96 | 90.5 Ų | 90.5 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.3 | -36.3 | 173.2 | -166.2 | 177.9 | 21.8 | 0 | 0 | 112.4 | F60 Q61 P68 | F60-Q64 WeakPolarHBondContact O-CB 3.43Å; F60-Q64 PolarHBondContact O-N 2.8Å; Q61-Q64 PolarHBondContact O-N 3.28Å; Q64-P68 WeakPolarHBondContact O-CD 3.42Å |
| 65 | L | 75.1 | Confident | 71.4 | Confident | 94 Ų | 94 | 85.9 Ų | 85.9 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.1 | -30.7 | 171 | -95.8 | 75.7 | 0 | 0 | 0 | 112.6 | Q61 W62 G67 P68 I69 | Q61-L65 WeakPolarHBondContact O-CD1 3.37Å; Q61-L65 PolarHBondContact O-N 2.82Å; W62-L65 PolarHBondContact O-N 3.49Å; L65-G67 VanDerWaalsContact C-N 3.29Å; L65-G67 PolarHBondContact O-N 2.8Å; L65-P68 WeakPolarHBondContact O-CD 3.42Å; L65-I69 HydrophobicContact CB-CD1 4.16Å; L65-I69 WeakPolarHBondContact O-CB 3.42Å; L65-I69 WeakPolarHBondContact O-CD1 3.29Å; L65-I69 VanDerWaalsContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG1 3.27Å; L65-I69 PolarHBondContact O-N 3.41Å |
| 66 | L | 78.8 | Confident | 72.8 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.1 | -37.9 | -177.2 | -174.6 | 59.1 | 0 | 0 | 0 | 112.6 | F46 W62 T63 I69 L70 | F46-L66 HydrophobicContact CD1-CD2 4.5Å; F46-L66 HydrophobicContact CE1-CD2 4.32Å; W62-L66 WeakPolarHBondContact O-CB 3.47Å; W62-L66 PolarHBondContact O-N 2.88Å; T63-L66 WeakPolarHBondContact O-CB 3.33Å; T63-L66 PolarHBondContact O-N 3.23Å; L66-I69 PolarHBondContact O-N 3.29Å; L66-L70 HydrophobicContact CD1-CD1 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.99Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 PolarHBondContact O-N 3.31Å |
| 67 | G | 83.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.9 | -61 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G43 T47 L65 I69 L70 I71 | G43-G67 WeakPolarHBondContact O-CA 3.47Å; T47-G67 WeakPolarHBondContact OG1-CA 3.34Å; L65-G67 VanDerWaalsContact C-N 3.29Å; L65-G67 PolarHBondContact O-N 2.8Å; G67-I69 VanDerWaalsContact C-N 3.28Å; G67-I69 PolarHBondContact O-N 3.48Å; G67-L70 PolarHBondContact O-N 3.45Å; G67-L70 VanDerWaalsContact O-N 3.15Å; G67-I71 WeakPolarHBondContact O-CG1 3.41Å; G67-I71 PolarHBondContact O-N 2.86Å |
| 68 | P | 83 | Confident | 75.6 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.7 | -35.5 | 172.3 | -29.5 | 36.6 | 0 | 0 | 0 | 114.7 | Q64 L65 I71 S72 | Q64-P68 WeakPolarHBondContact O-CD 3.42Å; L65-P68 WeakPolarHBondContact O-CD 3.42Å; P68-I71 PolarHBondContact O-N 3.25Å; P68-S72 VanDerWaalsContact O-CB 3.25Å; P68-S72 WeakPolarHBondContact O-CB 3.24Å; P68-S72 PolarHBondContact O-N 2.91Å |
| 69 | I | 85.7 | Confident | 76.8 | Confident | 90 Ų | 90 | 71 Ų | 71 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 175.1 | -69.1 | 165.5 | 0 | 0 | 0 | 110.8 | L65 L66 G67 S72 V73 | L65-I69 HydrophobicContact CB-CD1 4.16Å; L65-I69 WeakPolarHBondContact O-CB 3.42Å; L65-I69 WeakPolarHBondContact O-CD1 3.29Å; L65-I69 VanDerWaalsContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG1 3.27Å; L65-I69 PolarHBondContact O-N 3.41Å; L66-I69 PolarHBondContact O-N 3.29Å; G67-I69 VanDerWaalsContact C-N 3.28Å; G67-I69 PolarHBondContact O-N 3.48Å; I69-S72 PolarHBondContact O-N 2.87Å; I69-V73 HydrophobicContact CG2-CG2 4.45Å; I69-V73 WeakPolarHBondContact O-CG2 3.4Å; I69-V73 PolarHBondContact O-N 2.71Å |
| 70 | L | 84 | Confident | 77.9 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 19% | 0.194 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.5 | -87.2 | 154.2 | 0 | 0 | 0 | 112.6 | L39 V42 F46 L66 G67 G74 | L39-L70 HydrophobicContact CG-CD2 4.17Å; V42-L70 HydrophobicContact CG1-CD1 4.23Å; F46-L70 HydrophobicContact CD2-CD1 4.46Å; L66-L70 HydrophobicContact CD1-CD1 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.99Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 PolarHBondContact O-N 3.31Å; G67-L70 PolarHBondContact O-N 3.45Å; G67-L70 VanDerWaalsContact O-N 3.15Å; L70-G74 PolarHBondContact O-N 3.28Å |
| 71 | I | 84 | Confident | 78.9 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 34% | 0.338 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 174.2 | -66 | 166.7 | 0 | 0 | 0 | 110.5 | V44 G67 P68 G75 | V44-I71 HydrophobicContact CG2-CD1 3.91Å; V44-I71 HydrophobicContact CG2-CG1 4.15Å; G67-I71 WeakPolarHBondContact O-CG1 3.41Å; G67-I71 PolarHBondContact O-N 2.86Å; P68-I71 PolarHBondContact O-N 3.25Å; I71-G75 WeakPolarHBondContact O-CA 3.24Å; I71-G75 PolarHBondContact O-N 3.2Å |
| 72 | S | 85.8 | Confident | 79.4 | Confident | 82 Ų | 82 | 67 Ų | 67 | 57% | 0.573 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.4 | -47 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | P68 I69 G75 A76 | P68-S72 VanDerWaalsContact O-CB 3.25Å; P68-S72 WeakPolarHBondContact O-CB 3.24Å; P68-S72 PolarHBondContact O-N 2.91Å; I69-S72 PolarHBondContact O-N 2.87Å; S72-G75 PolarHBondContact O-N 3.47Å; S72-A76 VanDerWaalsContact O-CB 3.29Å; S72-A76 WeakPolarHBondContact O-CB 3.37Å; S72-A76 PolarHBondContact O-N 3.08Å |
| 73 | V | 87.7 | Confident | 79.4 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 178 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L39 I69 G75 A76 F77 | L39-V73 HydrophobicContact CD2-CG1 3.91Å; I69-V73 HydrophobicContact CG2-CG2 4.45Å; I69-V73 WeakPolarHBondContact O-CG2 3.4Å; I69-V73 PolarHBondContact O-N 2.71Å; V73-G75 VanDerWaalsContact C-N 3.35Å; V73-G75 PolarHBondContact O-N 3.45Å; V73-A76 PolarHBondContact O-N 2.9Å; V73-F77 WeakPolarHBondContact O-CB 3.45Å; V73-F77 PolarHBondContact O-N 3.45Å |
| 74 | G | 84.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L70 F77 M78 | L70-G74 PolarHBondContact O-N 3.28Å; G74-F77 WeakPolarHBondContact O-CB 3.41Å; G74-F77 PolarHBondContact O-N 2.85Å; G74-M78 WeakPolarHBondContact O-CG 3.31Å; G74-M78 PolarHBondContact O-N 3.02Å |
| 75 | G | 83.8 | Confident | 78.9 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I71 S72 V73 M78 L79 | I71-G75 WeakPolarHBondContact O-CA 3.24Å; I71-G75 PolarHBondContact O-N 3.2Å; S72-G75 PolarHBondContact O-N 3.47Å; V73-G75 VanDerWaalsContact C-N 3.35Å; V73-G75 PolarHBondContact O-N 3.45Å; G75-M78 PolarHBondContact O-N 2.91Å; G75-L79 WeakPolarHBondContact O-CB 3.25Å; G75-L79 PolarHBondContact O-N 3.01Å |
| 76 | A | 84.1 | Confident | 78.1 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 40% | 0.397 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.5 | -34.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S72 V73 L79 T80 | S72-A76 VanDerWaalsContact O-CB 3.29Å; S72-A76 WeakPolarHBondContact O-CB 3.37Å; S72-A76 PolarHBondContact O-N 3.08Å; V73-A76 PolarHBondContact O-N 2.9Å; A76-L79 PolarHBondContact O-N 3.21Å; A76-T80 WeakPolarHBondContact O-CB 3.34Å; A76-T80 WeakPolarHBondContact O-CG2 3.43Å; A76-T80 PolarHBondContact O-N 3.1Å; A76-T80 PolarHBondContact O-OG1 3.21Å |
| 77 | F | 82.4 | Confident | 77 | Confident | 73 Ų | 73 | 67.3 Ų | 67.3 | 32% | 0.32 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 174.4 | -139.5 | -116.8 | 0 | 0 | 0 | 111.4 | L32 V73 G74 T80 S81 | L32-F77 HydrophobicContact CB-CE1 4.21Å; L32-F77 HydrophobicContact CD2-CD1 4.34Å; L32-F77 HydrophobicContact CD2-CE1 3.37Å; L32-F77 HydrophobicContact CD2-CE2 4.38Å; L32-F77 HydrophobicContact CD2-CZ 3.4Å; L32-F77 VanDerWaalsContact CD2-CZ 3.4Å; L32-F77 HydrophobicContact CG-CE1 4.39Å; L32-F77 WeakPolarHBondContact O-CD1 3.29Å; V73-F77 WeakPolarHBondContact O-CB 3.45Å; V73-F77 PolarHBondContact O-N 3.45Å; G74-F77 WeakPolarHBondContact O-CB 3.41Å; G74-F77 PolarHBondContact O-N 2.85Å; F77-T80 PolarHBondContact O-OG1 2.99Å; F77-T80 VanDerWaalsContact O-OG1 3.13Å; F77-S81 VanDerWaalsContact O-CB 3.31Å; F77-S81 WeakPolarHBondContact O-CB 3.36Å; F77-S81 PolarHBondContact O-N 2.73Å |
| 78 | M | 81.7 | Confident | 75.4 | Confident | 57 Ų | 57 | 74 Ų | 74 | 28% | 0.281 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.7 | -51.4 | 169.7 | -79.1 | -62.2 | -143.6 | 0 | 0 | 111.8 | L33 V37 G74 G75 T80 S81 V82 | L33-M78 HydrophobicContact CB-SD 4.18Å; L33-M78 HydrophobicContact CD2-SD 3.56Å; L33-M78 VanDerWaalsContact CD2-SD 3.56Å; L33-M78 HydrophobicContact CG-SD 4.48Å; L33-M78 WeakPolarHBondContact O-CE 3.27Å; V37-M78 HydrophobicContact CB-CE 4.29Å; V37-M78 HydrophobicContact CG2-CE 3.28Å; G74-M78 WeakPolarHBondContact O-CG 3.31Å; G74-M78 PolarHBondContact O-N 3.02Å; G75-M78 PolarHBondContact O-N 2.91Å; M78-T80 PolarHBondContact O-N 2.75Å; M78-S81 PolarHBondContact O-N 3.36Å; M78-S81 VanDerWaalsContact O-N 3.16Å; M78-V82 WeakPolarHBondContact O-CG2 3.47Å; M78-V82 PolarHBondContact O-N 3.39Å |
| 79 | L | 81.3 | Confident | 74 | Confident | 103 Ų | 103 | 74.4 Ų | 74.4 | 54% | 0.539 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | -176.8 | -173.3 | 63 | 0 | 0 | 0 | 111 | G75 A76 S81 V82 C83 | G75-L79 WeakPolarHBondContact O-CB 3.25Å; G75-L79 PolarHBondContact O-N 3.01Å; A76-L79 PolarHBondContact O-N 3.21Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 2.8Å; L79-V82 HydrophobicContact CD1-CG2 4.44Å; L79-C83 WeakPolarHBondContact O-CA 3.43Å; L79-C83 WeakPolarHBondContact O-CB 3.04Å; L79-C83 PolarHBondContact O-N 3.37Å; L79-C83 PolarHBondContact O-SG 2.61Å |
| 80 | T | 77.8 | Confident | 72.2 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66 | -34.3 | 175.3 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | A76 F77 M78 R84 | A76-T80 WeakPolarHBondContact O-CB 3.34Å; A76-T80 WeakPolarHBondContact O-CG2 3.43Å; A76-T80 PolarHBondContact O-N 3.1Å; A76-T80 PolarHBondContact O-OG1 3.21Å; F77-T80 PolarHBondContact O-OG1 2.99Å; F77-T80 VanDerWaalsContact O-OG1 3.13Å; M78-T80 PolarHBondContact O-N 2.75Å; T80-R84 VanDerWaalsContact O-CB 3.27Å; T80-R84 WeakPolarHBondContact O-CB 3.42Å; T80-R84 VanDerWaalsContact O-CG 3.25Å; T80-R84 WeakPolarHBondContact O-CG 3.33Å; T80-R84 PolarHBondContact O-N 2.78Å |
| 81 | S | 75.6 | Confident | 70.4 | Confident | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.014 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -69.6 | -46.6 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | R29 L33 F77 M78 L79 R84 | R29-S81 PolarHBondContact O-OG 3.21Å; L33-S81 WeakPolarHBondContact CD2-OG 3.32Å; L33-S81 WeakPolarHBondContact CG-OG 3.43Å; F77-S81 VanDerWaalsContact O-CB 3.31Å; F77-S81 WeakPolarHBondContact O-CB 3.36Å; F77-S81 PolarHBondContact O-N 2.73Å; M78-S81 PolarHBondContact O-N 3.36Å; M78-S81 VanDerWaalsContact O-N 3.16Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 2.8Å; S81-R84 PolarHBondContact O-N 2.88Å |
| 82 | V | 70.6 | Confident | 68.5 | Low | 69 Ų | 69 | 81.1 Ų | 81.1 | 42% | 0.418 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.1 | -38.8 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | L33 M78 L79 R84 F85 H86 | L33-V82 HydrophobicContact CD2-CG1 3.86Å; M78-V82 WeakPolarHBondContact O-CG2 3.47Å; M78-V82 PolarHBondContact O-N 3.39Å; L79-V82 HydrophobicContact CD1-CG2 4.44Å; V82-R84 VanDerWaalsContact C-N 3.29Å; V82-R84 PolarHBondContact O-N 3.48Å; V82-F85 PolarHBondContact O-N 3.16Å; V82-H86 WeakPolarHBondContact O-CB 3.29Å; V82-H86 PolarHBondContact O-N 3.02Å |
| 83 | C | 63.9 | Low | 66.7 | Low | 47 Ų | 47 | 89.4 Ų | 89.4 | 32% | 0.318 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.2 | -23.3 | 174 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | L79 H86 S87 | L79-C83 WeakPolarHBondContact O-CA 3.43Å; L79-C83 WeakPolarHBondContact O-CB 3.04Å; L79-C83 PolarHBondContact O-N 3.37Å; L79-C83 PolarHBondContact O-SG 2.61Å; C83-H86 CarbonylContact O-C 3.4Å; C83-H86 PolarHBondContact O-N 3.46Å; C83-S87 WeakPolarHBondContact O-CA 3.08Å; C83-S87 WeakPolarHBondContact O-CB 3.34Å; C83-S87 PolarHBondContact O-N 2.86Å; C83-S87 PolarHBondContact O-OG 2.88Å |
| 84 | R | 66.7 | Low | 64.7 | Low | 203 Ų | 203 | 96 Ų | 96 | 77% | 0.766 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | 170.6 | -90.3 | -77.1 | 175.4 | 84.7 | -3.2 | 112.3 | T80 S81 V82 | T80-R84 VanDerWaalsContact O-CB 3.27Å; T80-R84 WeakPolarHBondContact O-CB 3.42Å; T80-R84 VanDerWaalsContact O-CG 3.25Å; T80-R84 WeakPolarHBondContact O-CG 3.33Å; T80-R84 PolarHBondContact O-N 2.78Å; S81-R84 PolarHBondContact O-N 2.88Å; V82-R84 VanDerWaalsContact C-N 3.29Å; V82-R84 PolarHBondContact O-N 3.48Å |
| 85 | F | 56.2 | Low | 62.7 | Low | 111 Ų | 111 | 106.3 Ų | 106.3 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.8 | -50.7 | 165.4 | -85 | -153.2 | 0 | 0 | 0 | 110.9 | E26 R29 V82 S87 | E26-F85 HydrophobicContact CG-CZ 4.22Å; R29-F85 HydrophobicContact CB-CE2 3.8Å; R29-F85 HydrophobicContact CG-CD2 3.81Å; R29-F85 HydrophobicContact CG-CE2 3.16Å; R29-F85 HydrophobicContact CG-CZ 4.08Å; V82-F85 PolarHBondContact O-N 3.16Å; F85-S87 PolarHBondContact O-N 2.73Å; F85-S87 VanDerWaalsContact O-N 3.1Å |
| 86 | H | 58.5 | Low | 60.9 | Low | 90 Ų | 90 | 111.9 Ų | 111.9 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -75 | 5.7 | -174.2 | -150.9 | -90.9 | 0 | 0 | 0 | 113.7 | V82 C83 V88 S89 C90 | V82-H86 WeakPolarHBondContact O-CB 3.29Å; V82-H86 PolarHBondContact O-N 3.02Å; C83-H86 CarbonylContact O-C 3.4Å; C83-H86 PolarHBondContact O-N 3.46Å; H86-V88 PolarHBondContact O-N 2.94Å; H86-S89 PolarHBondContact CD2-OG 3.16Å; H86-S89 PolarHBondContact CE1-OG 3.44Å; H86-S89 PolarHBondContact ND1-OG 2.88Å; H86-S89 VanDerWaalsContact ND1-OG 3.14Å; H86-S89 PolarHBondContact NE2-OG 3.1Å; H86-S89 CarbonylContact O-C 3.57Å; H86-S89 PolarHBondContact O-N 3.29Å; H86-S89 PolarHBondContact O-OG 3.41Å; H86-C90 PolarHBondContact CE1-SG 3.41Å; H86-C90 WeakPolarHBondContact ND1-CB 3.2Å; H86-C90 PolarHBondContact ND1-N 3.13Å; H86-C90 PolarHBondContact ND1-SG 3.46Å; H86-C90 PolarHBondContact O-N 2.82Å |
| 87 | S | 55 | Low | 58.8 | Low | 71 Ų | 71 | 115.8 Ų | 115.8 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -11.6 | 173.2 | -72 | 0 | 0 | 0 | 0 | 112.3 | C83 F85 | C83-S87 WeakPolarHBondContact O-CA 3.08Å; C83-S87 WeakPolarHBondContact O-CB 3.34Å; C83-S87 PolarHBondContact O-N 2.86Å; C83-S87 PolarHBondContact O-OG 2.88Å; F85-S87 PolarHBondContact O-N 2.73Å; F85-S87 VanDerWaalsContact O-N 3.1Å |
| 88 | V | 51.3 | Low | 56.7 | Low | 141 Ų | 141 | 120.6 Ų | 120.6 | 86% | 0.855 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -18.1 | 171.2 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | H86 | H86-V88 PolarHBondContact O-N 2.94Š|
| 89 | S | 52.2 | Low | 54.9 | Low | 77 Ų | 77 | 126.2 Ų | 126.2 | 54% | 0.538 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.2 | -18.8 | -172.2 | 42 | 0 | 0 | 0 | 0 | 115.3 | H86 | H86-S89 PolarHBondContact CD2-OG 3.16Å; H86-S89 PolarHBondContact CE1-OG 3.44Å; H86-S89 PolarHBondContact ND1-OG 2.88Å; H86-S89 VanDerWaalsContact ND1-OG 3.14Å; H86-S89 PolarHBondContact NE2-OG 3.1Å; H86-S89 CarbonylContact O-C 3.57Å; H86-S89 PolarHBondContact O-N 3.29Å; H86-S89 PolarHBondContact O-OG 3.41Å |
| 90 | C | 48.3 | Very low | 53 | Low | 74 Ų | 74 | 128.4 Ų | 128.4 | 50% | 0.5 | 62% | 0.618 | S | S | . | * | trans | -108.8 | 73.5 | 166.3 | -86.7 | 0 | 0 | 0 | 0 | 110.2 | H86 P92 | H86-C90 PolarHBondContact CE1-SG 3.41Å; H86-C90 WeakPolarHBondContact ND1-CB 3.2Å; H86-C90 PolarHBondContact ND1-N 3.13Å; H86-C90 PolarHBondContact ND1-SG 3.46Å; H86-C90 PolarHBondContact O-N 2.82Å; C90-P92 VanDerWaalsContact O-CD 3.27Å; C90-P92 WeakPolarHBondContact O-CD 3.2Å | ||
| 91 | W | 47.4 | Very low | 50.9 | Low | 161 Ų | 161 | 134.7 Ų | 134.7 | 61% | 0.61 | 63% | 0.634 | S | S | * | * | trans | -73.2 | 110.2 | 149.1 | -127.7 | 93.3 | 0 | 0 | 0 | 106.4 | R93 R95 | W91-R93 PolarHBondContact O-N 2.85Å; W91-R95 HydrophobicContact CH2-CB 3.9Å; W91-R95 HydrophobicContact CH2-CG 3.71Å; W91-R95 HydrophobicContact CZ3-CB 3.64Å; W91-R95 HydrophobicContact CZ3-CG 4Å | ||
| 92 | P | 43.9 | Very low | 49.1 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | -61.9 | 130.8 | 174.1 | 27.4 | -33.3 | 0 | 0 | 0 | 107.9 | C90 R94 | C90-P92 VanDerWaalsContact O-CD 3.27Å; C90-P92 WeakPolarHBondContact O-CD 3.2Å; P92-R94 PolarHBondContact O-N 2.88Å | ||
| 93 | R | 48.3 | Very low | 47.6 | Very low | 255 Ų | 255 | 142.5 Ų | 142.5 | 96% | 0.962 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -73.7 | 61.8 | -171.2 | -167.8 | -177.1 | 172.4 | -171.1 | -2.3 | 112.6 | W91 | W91-R93 PolarHBondContact O-N 2.85Š|
| 94 | R | 44.5 | Very low | 46.5 | Very low | 214 Ų | 214 | 145.8 Ų | 145.8 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | trans | -141.3 | 81.1 | 168.7 | -80 | -165.3 | 174.1 | -156.6 | -0.7 | 108.6 | P92 Q96 | P92-R94 PolarHBondContact O-N 2.88Å; R94-Q96 VanDerWaalsContact C-N 3.32Å | ||
| 95 | R | 42.6 | Very low | 45.3 | Very low | 216 Ų | 216 | 142.4 Ų | 142.4 | 82% | 0.815 | 70% | 0.703 | S | S | * | * | trans | -108.4 | 39.3 | 151.7 | -146.4 | 176 | -168.4 | -174 | 1.3 | 110.6 | W91 | W91-R95 HydrophobicContact CH2-CB 3.9Å; W91-R95 HydrophobicContact CH2-CG 3.71Å; W91-R95 HydrophobicContact CZ3-CB 3.64Å; W91-R95 HydrophobicContact CZ3-CG 4Å | ||
| 96 | Q | 47.5 | Very low | 44.3 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | -132 | 122.4 | 160.6 | -76.7 | -177.8 | -70.6 | 0 | 0 | 103.2 | R94 | R94-Q96 VanDerWaalsContact C-N 3.32Š| ||
| 97 | D | 39.3 | Very low | 43.2 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | S | Bend | cis | -132.8 | -172.5 | 5.7 | -91.6 | -58.6 | 0 | 0 | 0 | 112.5 | ||
| 98 | E | 39 | Very low | 42.4 | Very low | 174 Ų | 174 | 158.4 Ų | 158.4 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 67.9 | 80.1 | 160.7 | -72.1 | 151.9 | -152.4 | 0 | 0 | 117.2 | ||||
| 99 | E | 42.8 | Very low | 41.4 | Very low | 175 Ų | 175 | 158.7 Ų | 158.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 63.6 | 140.6 | 121.7 | -68.1 | -170.8 | -177.7 | 0 | 0 | 122.7 | |||||
| 100 | I | 42.1 | Very low | 40.6 | Very low | 148 Ų | 148 | 160.7 Ų | 160.7 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 55.1 | 89.9 | 162.2 | -51.5 | 156.1 | 0 | 0 | 0 | 115.9 | ||||
| 101 | Y | 32.8 | Very low | 40.1 | Very low | 218 Ų | 218 | 169.5 Ų | 169.5 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | -148.1 | 152.1 | 123.7 | -133.7 | -94.6 | 0 | 0 | 0 | 112.5 | |||||
| 102 | V | 39.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 165.3 Ų | 165.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -61 | 142 | -164.6 | 180 | 0 | 0 | 0 | 0 | 113.4 | P104 | V102-P104 VanDerWaalsContact O-CD 3.25Å; V102-P104 WeakPolarHBondContact O-CD 3.47Å | ||
| 103 | V | 38.8 | Very low | 39.7 | Very low | 116 Ų | 116 | 171.7 Ų | 171.7 | 70% | 0.703 | 81% | 0.813 | S | S | * | * | trans | -69.4 | 117.7 | 171 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | V105 | V103-V105 HydrophobicContact CG1-CG2 4.41Å; V103-V105 PolarHBondContact O-N 3.17Å | ||
| 104 | P | 39.3 | Very low | 40 | Very low | 115 Ų | 115 | 165.4 Ų | 165.4 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 112.6 | 159.7 | 31.5 | -29.8 | 0 | 0 | 0 | 108.3 | V102 R106 | V102-P104 VanDerWaalsContact O-CD 3.25Å; V102-P104 WeakPolarHBondContact O-CD 3.47Å; P104-R106 PolarHBondContact O-N 2.94Å | ||
| 105 | V | 41.5 | Very low | 39.9 | Very low | 132 Ų | 132 | 161 Ų | 161 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -67.2 | 97.6 | 171.3 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | V103 | V103-V105 HydrophobicContact CG1-CG2 4.41Å; V103-V105 PolarHBondContact O-N 3.17Å | ||
| 106 | R | 36.5 | Very low | 40.3 | Very low | 239 Ų | 239 | 157.1 Ų | 157.1 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -85.7 | 127.1 | 172.9 | -165.9 | 167.9 | -174 | 150.2 | 3.5 | 109.3 | P104 Q108 | P104-R106 PolarHBondContact O-N 2.94Å; R106-Q108 PolarHBondContact O-N 3.24Å | ||
| 107 | E | 35 | Very low | 40.3 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -57.5 | 130.3 | -160 | -58.5 | 177.1 | 138.2 | 0 | 0 | 114.2 | N109 | E107-N109 PolarHBondContact O-N 3.45Š| ||
| 108 | Q | 37.3 | Very low | 40.8 | Very low | 199 Ų | 199 | 159.4 Ų | 159.4 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -75.4 | 102.7 | 173.6 | 176.6 | -176 | 69.8 | 0 | 0 | 109.5 | R106 | R106-Q108 PolarHBondContact O-N 3.24Š| ||
| 109 | N | 30.7 | Very low | 41 | Very low | 147 Ų | 147 | 157.5 Ų | 157.5 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -148.2 | 87.6 | 179.3 | -141.6 | -17.8 | 0 | 0 | 0 | 114 | E107 | E107-N109 PolarHBondContact O-N 3.45Š| ||
| 110 | S | 36.8 | Very low | 41.7 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -167.4 | 135.7 | 150.7 | 33.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 111 | R | 37.4 | Very low | 41.8 | Very low | 259 Ų | 259 | 154.2 Ų | 154.2 | 98% | 0.977 | 79% | 0.792 | S | S | * | * | trans | -52.7 | 135.6 | -177.2 | -68.5 | 164.2 | 155.7 | -172 | -6.4 | 114.6 | ||||
| 112 | G | 39.8 | Very low | 42.6 | Very low | 74 Ų | 74 | 151.4 Ų | 151.4 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -162.6 | 132.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 113 | R | 43.1 | Very low | 43 | Very low | 233 Ų | 233 | 151.9 Ų | 151.9 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -77.3 | 147.2 | 172.3 | -87 | -178.3 | 168.7 | -179.3 | -3.9 | 110.2 | V115 | R113-V115 PolarHBondContact O-N 3.13Š| ||
| 114 | P | 53.7 | Low | 43.3 | Very low | 124 Ų | 124 | 152 Ų | 152 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -68.1 | 114.5 | 170.6 | 28.8 | -33.3 | 0 | 0 | 0 | 110.2 | ||||
| 115 | V | 42.2 | Very low | 43.7 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -95.5 | 101.7 | 171.5 | 174 | 0 | 0 | 0 | 0 | 108.5 | R113 V117 | R113-V115 PolarHBondContact O-N 3.13Å; V115-V117 HydrophobicContact CG1-CG2 3.78Å; V115-V117 PolarHBondContact O-N 3.19Å | ||
| 116 | V | 52.2 | Low | 43.9 | Very low | 134 Ų | 134 | 156 Ų | 156 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -78.6 | 99.9 | 168.8 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 117 | V | 46.8 | Very low | 44.6 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | -113.9 | 105 | 162.7 | 171.5 | 0 | 0 | 0 | 0 | 108.7 | V115 | V115-V117 HydrophobicContact CG1-CG2 3.78Å; V115-V117 PolarHBondContact O-N 3.19Å | ||
| 118 | R | 50.7 | Low | 45.4 | Very low | 207 Ų | 207 | 151.4 Ų | 151.4 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | -77 | 123 | 175.2 | 179.3 | -172.6 | -171.8 | -164.2 | -0.2 | 108.8 | I120 | R118-I120 HydrophobicContact CG-CD1 4.24Å; R118-I120 HydrophobicContact CG-CG1 3.93Å | ||
| 119 | N | 43 | Very low | 45.9 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -121.8 | 133.9 | 164.9 | -162 | -32.5 | 0 | 0 | 0 | 109.1 | N121 | N119-N121 PolarHBondContact OD1-ND2 3.28Š| ||
| 120 | I | 55.7 | Low | 46.9 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 61% | 0.605 | 80% | 0.795 | S | S | * | * | trans | -124.1 | 96.3 | -169.3 | -47 | 171.6 | 0 | 0 | 0 | 107.4 | R118 | R118-I120 HydrophobicContact CG-CD1 4.24Å; R118-I120 HydrophobicContact CG-CG1 3.93Å | ||
| 121 | N | 46 | Very low | 47.5 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -140.7 | 83.8 | 176.3 | -84.6 | -69 | 0 | 0 | 0 | 111.2 | N119 | N119-N121 PolarHBondContact OD1-ND2 3.28Š| ||
| 122 | Q | 48.8 | Very low | 48 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 22.4 | 123.6 | 140.2 | -167.9 | 171.5 | 56.6 | 0 | 0 | 118.4 | V124 | Q122-V124 PolarHBondContact O-N 3.4Š| ||
| 123 | P | 46.8 | Very low | 48.2 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -66.8 | 109.3 | 168.5 | 28.7 | -32.8 | 0 | 0 | 0 | 109.9 | M125 | P123-M125 PolarHBondContact O-N 3.34Š| ||
| 124 | V | 47.1 | Very low | 48.3 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | -72.1 | 113.6 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 109.6 | Q122 L126 | Q122-V124 PolarHBondContact O-N 3.4Å; V124-L126 PolarHBondContact O-N 2.79Å; V124-L126 VanDerWaalsContact O-N 3.08Å | ||
| 125 | M | 47.8 | Very low | 48.4 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -71.1 | 95.2 | 174.4 | -173.7 | -160.9 | -46 | 0 | 0 | 110.1 | P123 | P123-M125 PolarHBondContact O-N 3.34Š| ||
| 126 | L | 45.3 | Very low | 48.6 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -90 | 140 | 163.5 | -132.9 | 77.3 | 0 | 0 | 0 | 110.4 | V124 | V124-L126 PolarHBondContact O-N 2.79Å; V124-L126 VanDerWaalsContact O-N 3.08Å | ||
| 127 | R | 50.2 | Low | 48.6 | Very low | 242 Ų | 242 | 139.3 Ų | 139.3 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | trans | -112.5 | 114.5 | -160 | -172.4 | -178.3 | -175.7 | -171.9 | 2.4 | 110.5 | ||||
| 128 | G | 52.9 | Low | 48.6 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 107.6 | 130.6 | -172 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 129 | T | 47.2 | Very low | 47.9 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | cis | -135 | 142.5 | 9.9 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | T131 | T129-T131 PolarHBondContact O-N 3.44Š| ||
| 130 | A | 51.8 | Low | 47.7 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -80.6 | 108.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 131 | T | 49.1 | Very low | 47 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -118.2 | 104.2 | 156.5 | 50.6 | 0 | 0 | 0 | 0 | 108.4 | T129 L133 | T129-T131 PolarHBondContact O-N 3.44Å; T131-L133 PolarHBondContact O-N 2.74Å | ||
| 132 | M | 47.3 | Very low | 46.5 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 84% | 0.837 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 89.2 | -176.3 | -175.4 | 173.8 | 176.3 | 0 | 0 | 109.9 | C134 | M132-C134 VanDerWaalsContact C-N 3.27Å; M132-C134 PolarHBondContact O-N 2.99Å | ||
| 133 | L | 45.5 | Very low | 46.1 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -72.8 | 84.2 | 174.2 | -171.5 | 71.2 | 0 | 0 | 0 | 109.4 | T131 I135 | T131-L133 PolarHBondContact O-N 2.74Å; L133-I135 PolarHBondContact O-N 3.1Å | ||
| 134 | C | 44.3 | Very low | 45.5 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | trans | -62.4 | 100.8 | 172.1 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | M132 P136 | M132-C134 VanDerWaalsContact C-N 3.27Å; M132-C134 PolarHBondContact O-N 2.99Å; C134-P136 VanDerWaalsContact O-CD 3.3Å; C134-P136 WeakPolarHBondContact O-CD 3.33Å | ||
| 135 | I | 55.4 | Low | 45.2 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 119.4 | 164.9 | -57 | 171.5 | 0 | 0 | 0 | 106.9 | L133 | L133-I135 PolarHBondContact O-N 3.1Š|
| 136 | P | 46 | Very low | 44.6 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 128.6 | 173.2 | -18.7 | 32.8 | 0 | 0 | 0 | 109.2 | C134 | C134-P136 VanDerWaalsContact O-CD 3.3Å; C134-P136 WeakPolarHBondContact O-CD 3.33Å |
| 137 | P | 52.2 | Low | 43.9 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 159.1 | 171 | 28.7 | -34 | 0 | 0 | 0 | 110.6 | ||
| 138 | A | 47 | Very low | 43.7 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 142.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D140 | A138-D140 PolarHBondContact O-N 3.2Š|
| 139 | Y | 36.4 | Very low | 42.7 | Very low | 214 Ų | 214 | 146.6 Ų | 146.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -93.1 | 84.8 | -170 | -140 | -83.6 | 0 | 0 | 0 | 110.8 | F141 | Y139-F141 PolarHBondContact O-N 3.5Š| ||
| 140 | D | 38.1 | Very low | 41.9 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 127.8 | 174.6 | -69.6 | -28.5 | 0 | 0 | 0 | 110.6 | A138 | A138-D140 PolarHBondContact O-N 3.2Š| ||
| 141 | F | 41 | Very low | 41.1 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -85.6 | 115.6 | -167.6 | 4.8 | -95.9 | 0 | 0 | 0 | 112.1 | Y139 | Y139-F141 PolarHBondContact O-N 3.5Š| ||
| 142 | V | 36 | Very low | 40.9 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -130.6 | 121.9 | 164.8 | -178 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 143 | T | 40.4 | Very low | 40.4 | Very low | 132 Ų | 132 | 148 Ų | 148 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 131.6 | 175.4 | 19.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 144 | Q | 34.6 | Very low | 40.7 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -149.9 | 137.6 | 156 | -165 | 152.6 | 92.7 | 0 | 0 | 110.4 | ||||
| 145 | E | 40.2 | Very low | 40.2 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -108.8 | 175.2 | -169 | -64.4 | 157.8 | 100.8 | 0 | 0 | 112.5 | ||||
| 146 | A | 34.4 | Very low | 39.1 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 74.6 | 149.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 147 | R | 31.1 | Very low | 38.6 | Very low | 234 Ų | 234 | 144.5 Ų | 144.5 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | cis | -154.7 | 150.4 | 1.7 | -165.8 | 174.4 | 174.6 | 123.9 | -1.5 | 110.2 | ||||
| 148 | P | 46.8 | Very low | 37.9 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -98 | 140.9 | -178.9 | 35.7 | -34.3 | 0 | 0 | 0 | 115.6 | ||||
| 149 | Q | 31.3 | Very low | 37.5 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 94% | 0.944 | 82% | 0.818 | S | S | * | * | trans | 179.9 | 153.3 | 155.9 | -105.8 | 170.3 | -4.4 | 0 | 0 | 108.9 | ||||
| 150 | G | 30.4 | Very low | 37.5 | Very low | 75 Ų | 75 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | cis | -172 | 168.1 | -3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 151 | D | 35.3 | Very low | 37.4 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -79.3 | 160.4 | 179.8 | -129.3 | -46.6 | 0 | 0 | 0 | 111.9 | R153 | D151-R153 PolarHBondContact OD1-N 2.93Š| ||
| 152 | P | 43.9 | Very low | 37.1 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | -150.6 | 152.1 | 75.6 | 38.6 | -18.7 | 0 | 0 | 0 | 119.2 | |||||
| 153 | R | 38.6 | Very low | 37.3 | Very low | 222 Ų | 222 | 133 Ų | 133 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -68.6 | 165.2 | 161.8 | -109.2 | 176.5 | 173.7 | -158.6 | -1.2 | 113.6 | D151 | D151-R153 PolarHBondContact OD1-N 2.93Š| ||
| 154 | P | 51.4 | Low | 37.3 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | -153.9 | 171.8 | 59.6 | 41.5 | -20.1 | 0 | 0 | 0 | 120.1 | |||||
| 155 | G | 33.5 | Very low | 37.8 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | 132.2 | 102 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 156 | S | 32.5 | Very low | 38 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | 69.2 | 118.1 | 84.1 | -166.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 157 | S | 36.4 | Very low | 38.5 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -165 | 157.3 | -0.6 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 158 | V | 36.8 | Very low | 39.2 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 54.4 | 128.3 | 164.5 | 170.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 159 | S | 38.1 | Very low | 39.1 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | cis | -142.8 | 178.3 | 33.3 | -161 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 160 | G | 35.8 | Very low | 40.1 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -67.7 | 173.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 161 | G | 36.3 | Very low | 41.1 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | cis | 174.8 | 142 | 3.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 162 | N | 35.4 | Very low | 41.7 | Very low | 168 Ų | 168 | 132 Ų | 132 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -87 | 165.3 | -162.4 | -66.6 | -34 | 0 | 0 | 0 | 115.1 | ||||
| 163 | A | 39.6 | Very low | 42 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | 87.7 | 122.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 164 | D | 41 | Very low | 42.4 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | 53 | 88.5 | 127 | -48.4 | -21.2 | 0 | 0 | 0 | 119.1 | |||||
| 165 | L | 45.3 | Very low | 42 | Very low | 175 Ų | 175 | 134 Ų | 134 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -130.1 | 133.8 | 153.2 | -76.4 | 174.8 | 0 | 0 | 0 | 110.8 | ||||
| 166 | L | 44.6 | Very low | 42.2 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 156.5 | 173.8 | -87.7 | 74.3 | 0 | 0 | 0 | 111.2 | S168 | L166-S168 PolarHBondContact O-N 3.38Š|
| 167 | P | 44.8 | Very low | 42.7 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.7 | 167.7 | 26.5 | -34 | 0 | 0 | 0 | 110.6 | ||
| 168 | S | 45.8 | Very low | 42.9 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 146.1 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | L166 E170 | L166-S168 PolarHBondContact O-N 3.38Å; S168-E170 VanDerWaalsContact C-N 3.35Å; S168-E170 PolarHBondContact O-N 2.76Å |
| 169 | Y | 45.1 | Very low | 42.9 | Very low | 215 Ų | 215 | 137.4 Ų | 137.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -78 | -12.7 | -174.2 | -168.6 | -102.7 | 0 | 0 | 0 | 114.2 | S171 | Y169-S171 VanDerWaalsContact C-N 3.32Å; Y169-S171 PolarHBondContact O-N 3.21Å |
| 170 | E | 50.6 | Low | 43 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -74.1 | -9.7 | -171.1 | -69.1 | -161.1 | 123.8 | 0 | 0 | 116 | S168 L172 | S168-E170 VanDerWaalsContact C-N 3.35Å; S168-E170 PolarHBondContact O-N 2.76Å; E170-L172 VanDerWaalsContact C-N 3.26Å; E170-L172 PolarHBondContact O-N 3.05Å |
| 171 | S | 52.2 | Low | 43.5 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -79.4 | 2.6 | -172.8 | 58.3 | 0 | 0 | 0 | 0 | 115.6 | Y169 | Y169-S171 VanDerWaalsContact C-N 3.32Å; Y169-S171 PolarHBondContact O-N 3.21Å |
| 172 | L | 47.3 | Very low | 43.7 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -107.4 | 17.4 | -171.5 | -69.3 | 178.5 | 0 | 0 | 0 | 115.6 | E170 | E170-L172 VanDerWaalsContact C-N 3.26Å; E170-L172 PolarHBondContact O-N 3.05Å |
| 173 | Y | 50.5 | Low | 43.6 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -135.6 | 55.9 | 178.6 | -142.7 | -90.2 | 0 | 0 | 0 | 115.8 | ||||
| 174 | C | 46.9 | Very low | 43.7 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 87.2 | 164.8 | -87.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 175 | L | 43.5 | Very low | 43.6 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -124.9 | 74.2 | 166.4 | -168.4 | 65 | 0 | 0 | 0 | 111.1 | ||||
| 176 | D | 36.9 | Very low | 43.2 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 44.6 | 82.8 | 146.7 | -155.2 | 10 | 0 | 0 | 0 | 119.1 | A178 | D176-A178 VanDerWaalsContact C-N 3.31Å; D176-A178 PolarHBondContact O-N 2.91Å; D176-A178 VanDerWaalsContact O-N 3.12Å | ||
| 177 | N | 43.9 | Very low | 42.6 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -78 | 80.1 | 158.8 | -90.2 | -26 | 0 | 0 | 0 | 110 | C179 | N177-C179 VanDerWaalsContact C-N 3.33Å; N177-C179 PolarHBondContact O-N 3.28Å | ||
| 178 | A | 39.8 | Very low | 42.2 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | trans | -71.6 | 79.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D176 | D176-A178 VanDerWaalsContact C-N 3.31Å; D176-A178 PolarHBondContact O-N 2.91Å; D176-A178 VanDerWaalsContact O-N 3.12Å | ||
| 179 | C | 37 | Very low | 41.5 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -116.5 | 112.4 | 169.9 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | N177 | N177-C179 VanDerWaalsContact C-N 3.33Å; N177-C179 PolarHBondContact O-N 3.28Å | ||
| 180 | T | 41.2 | Very low | 41.2 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -124.7 | 126.4 | -177.7 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 181 | P | 45 | Very low | 40.7 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -92.9 | 147.3 | -177.8 | 34.4 | -34 | 0 | 0 | 0 | 113.9 | ||||
| 182 | H | 40.5 | Very low | 40 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | 49.7 | 123.3 | 158.5 | -74.8 | -85.4 | 0 | 0 | 0 | 120.6 | ||||
| 183 | S | 34.1 | Very low | 39.7 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | -165.6 | 169.5 | 103.2 | -153.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 184 | A | 41 | Very low | 39 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | trans | -61.4 | 157.1 | -161.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 185 | E | 39.4 | Very low | 38.6 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | 51 | 116.2 | 140 | -67.2 | -174.6 | 144.3 | 0 | 0 | 122.9 | ||||
| 186 | A | 36.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | -176.8 | 147.4 | 106.7 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 187 | G | 33.3 | Very low | 38.1 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -143.7 | 162.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 188 | H | 34.9 | Very low | 37.8 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | -162.7 | 159.5 | 169.4 | -144.7 | 70.1 | 0 | 0 | 0 | 113.3 | ||||
| 189 | G | 31.4 | Very low | 37.6 | Very low | 64 Ų | 64 | 141.5 Ų | 141.5 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | 97.8 | 61.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 190 | S | 38.6 | Very low | 37.5 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -32.9 | 143.8 | 164.5 | -43.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 191 | R | 40.3 | Very low | 37.5 | Very low | 247 Ų | 247 | 141 Ų | 141 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | -156.8 | 125.6 | 116.6 | -140 | 170.4 | -171.6 | 147.2 | 2.9 | 113.3 | |||||
| 192 | A | 37.6 | Very low | 37.2 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -91.6 | 154.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 193 | L | 40.2 | Very low | 37.2 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -136.4 | 128.6 | 157.6 | -150 | 154.5 | 0 | 0 | 0 | 108.1 | ||||
| 194 | K | 37.2 | Very low | 37.6 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | -99.1 | 126.7 | -164.5 | -178.2 | -165.9 | -179.7 | -164 | 0 | 111 | E196 | K194-E196 WeakPolarHBondContact CE-OE2 3.25Å; K194-E196 IonicContact NZ-OE2 2.62Å; K194-E196 PolarHBondContact NZ-OE2 3.5Å | ||
| 195 | T | 39 | Very low | 37.7 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | -132.7 | 139.1 | 153.7 | -50.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 196 | E | 34.2 | Very low | 38.2 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 65% | 0.654 | 80% | 0.803 | S | S | * | * | trans | -123.4 | 126.2 | -162.6 | 176 | 179.5 | 92.8 | 0 | 0 | 109.1 | K194 | K194-E196 WeakPolarHBondContact CE-OE2 3.25Å; K194-E196 IonicContact NZ-OE2 2.62Å; K194-E196 PolarHBondContact NZ-OE2 3.5Å | ||
| 197 | N | 34.8 | Very low | 38.6 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -153.8 | 134.4 | 162.9 | -163.8 | 1.6 | 0 | 0 | 0 | 109.5 | ||||
| 198 | E | 38.2 | Very low | 39.6 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 60% | 0.598 | 79% | 0.791 | S | S | * | * | trans | -105.9 | 131.6 | -168.7 | -32.3 | 162 | 101.6 | 0 | 0 | 112.3 | ||||
| 199 | R | 34.3 | Very low | 40.4 | Very low | 211 Ų | 211 | 136.7 Ų | 136.7 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 148 | 126.1 | 134.5 | -86.4 | 155.1 | -86 | -94.9 | -19.3 | 110.7 | ||||
| 200 | G | 34.8 | Very low | 42.1 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 149.1 | 72.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q202 | G200-Q202 PolarHBondContact O-N 3.21Š| ||
| 201 | L | 41.1 | Very low | 43.7 | Very low | 162 Ų | 162 | 142 Ų | 142 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -73.2 | 103.2 | 174.2 | 174.5 | 68.8 | 0 | 0 | 0 | 110.7 | ||||
| 202 | Q | 39.3 | Very low | 45.5 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -159.2 | 116.3 | 146.2 | -142.4 | 143.1 | 108.4 | 0 | 0 | 111 | G200 | G200-Q202 PolarHBondContact O-N 3.21Š| ||
| 203 | E | 40.3 | Very low | 47.4 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -71.9 | 127.7 | 161.6 | -72.8 | 174.6 | 111.3 | 0 | 0 | 108.4 | ||||
| 204 | G | 42.9 | Very low | 49.3 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -135.4 | 56.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G206 | G204-G206 PolarHBondContact O-N 3.11Š| ||
| 205 | D | 43.5 | Very low | 51 | Low | 154 Ų | 154 | 129.3 Ų | 129.3 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | trans | -65.4 | 100 | 175.6 | -175.4 | 15.9 | 0 | 0 | 0 | 109.6 | S207 | D205-S207 PolarHBondContact O-N 3.45Š| ||
| 206 | G | 50.5 | Low | 52.9 | Low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | trans | -74.3 | 33.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G204 T208 | G204-G206 PolarHBondContact O-N 3.11Å; G206-T208 VanDerWaalsContact C-N 3.27Å; G206-T208 PolarHBondContact O-N 3.22Å | ||
| 207 | S | 44.4 | Very low | 54.9 | Low | 92 Ų | 92 | 127.9 Ų | 127.9 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | trans | -78.4 | 74.1 | 175.8 | -167.9 | 0 | 0 | 0 | 0 | 110.8 | D205 C209 | D205-S207 PolarHBondContact O-N 3.45Å; S207-C209 PolarHBondContact O-N 3.33Å | ||
| 208 | T | 54 | Low | 57.2 | Low | 132 Ų | 132 | 125.3 Ų | 125.3 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | trans | -74.1 | 51.3 | 175.9 | 39.2 | 0 | 0 | 0 | 0 | 112.8 | G206 S210 | G206-T208 VanDerWaalsContact C-N 3.27Å; G206-T208 PolarHBondContact O-N 3.22Å; T208-S210 PolarHBondContact O-N 3.5Å | ||
| 209 | C | 52.2 | Low | 59 | Low | 108 Ų | 108 | 124.4 Ų | 124.4 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | trans | -75.3 | 75.1 | 164.6 | -166.7 | 0 | 0 | 0 | 0 | 109.5 | S207 K211 | S207-C209 PolarHBondContact O-N 3.33Å; C209-K211 PolarHBondContact O-N 3.04Å; C209-K211 VanDerWaalsContact O-N 3.11Å | ||
| 210 | S | 66.4 | Low | 61.2 | Low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | -56.1 | 115.7 | 170 | -61.9 | 0 | 0 | 0 | 0 | 109.1 | T208 | T208-S210 PolarHBondContact O-N 3.5Š| ||
| 211 | K | 73.8 | Confident | 63.2 | Low | 189 Ų | 189 | 120.8 Ų | 120.8 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141.9 | 173 | -65 | 178.8 | -178.3 | 177 | 0 | 108.9 | C209 | C209-K211 PolarHBondContact O-N 3.04Å; C209-K211 VanDerWaalsContact O-N 3.11Å |
| 212 | P | 76.6 | Confident | 65 | Low | 115 Ų | 115 | 118.4 Ų | 118.4 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 147.1 | 171.7 | 26.4 | -34.1 | 0 | 0 | 0 | 109.8 | ||
| 213 | P | 78.6 | Confident | 66.6 | Low | 86 Ų | 86 | 115.8 Ų | 115.8 | 56% | 0.558 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 157.5 | 176.2 | 25.1 | -33.8 | 0 | 0 | 0 | 111.4 | D217 I218 | P213-D217 HydrophobicContact CB-CB 4.28Å; P213-I218 HydrophobicContact CG-CD1 4.24Å; P213-I218 HydrophobicContact CG-CG1 4.41Å |
| 214 | A | 80.3 | Confident | 68 | Low | 44 Ų | 44 | 115.7 Ų | 115.7 | 36% | 0.364 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 153.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E216 D217 | A214-E216 PolarHBondContact O-N 2.8Å; A214-D217 WeakPolarHBondContact CB-OD2 3.36Å; A214-D217 PolarHBondContact N-OD2 2.76Å; A214-D217 WeakPolarHBondContact O-CB 3.36Å; A214-D217 PolarHBondContact O-N 3.13Å; A214-D217 VanDerWaalsContact O-N 3.07Å |
| 215 | Y | 71.1 | Confident | 69 | Low | 158 Ų | 158 | 120.6 Ų | 120.6 | 62% | 0.62 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -59.3 | -35.2 | 177.7 | 174.5 | -99.2 | 0 | 0 | 0 | 111.1 | D217 I218 H219 | Y215-D217 VanDerWaalsContact C-N 3.34Å; Y215-D217 PolarHBondContact O-N 2.85Å; Y215-I218 PolarHBondContact O-N 2.91Å; Y215-H219 AromaticContact CD2-CD2 3.92Å; Y215-H219 HydrophobicContact CE1-CB 4.32Å; Y215-H219 AromaticContact CE2-CD2 3.49Å; Y215-H219 VanDerWaalsContact CE2-CD2 3.49Å; Y215-H219 WeakPolarHBondContact CE2-CD2 3.44Å; Y215-H219 AromaticContact CZ-CD2 3.84Å; Y215-H219 PolarHBondContact O-N 2.98Å |
| 216 | E | 80.5 | Confident | 70.2 | Confident | 133 Ų | 133 | 120 Ų | 120 | 62% | 0.621 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68 | -26.4 | 177.9 | -64.8 | 65.7 | -147.4 | 0 | 0 | 113.4 | A214 I218 H219 | A214-E216 PolarHBondContact O-N 2.8Å; E216-I218 VanDerWaalsContact C-N 3.33Å; E216-H219 CarbonylContact O-C 3.6Å |
| 217 | D | 76.3 | Confident | 70.6 | Confident | 119 Ų | 119 | 122.6 Ų | 122.6 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.3 | -30.4 | 174.3 | -60.8 | -40.1 | 0 | 0 | 0 | 111.3 | P213 A214 Y215 | P213-D217 HydrophobicContact CB-CB 4.28Å; A214-D217 WeakPolarHBondContact CB-OD2 3.36Å; A214-D217 PolarHBondContact N-OD2 2.76Å; A214-D217 WeakPolarHBondContact O-CB 3.36Å; A214-D217 PolarHBondContact O-N 3.13Å; A214-D217 VanDerWaalsContact O-N 3.07Å; Y215-D217 VanDerWaalsContact C-N 3.34Å; Y215-D217 PolarHBondContact O-N 2.85Å |
| 218 | I | 82.5 | Confident | 71.2 | Confident | 104 Ų | 104 | 126.7 Ų | 126.7 | 53% | 0.533 | 73% | 0.732 | S | S | . | * | H | α-helix | trans | -88.9 | -35.5 | -178.7 | -52.4 | 173.2 | 0 | 0 | 0 | 110.6 | P213 Y215 E216 P220 | P213-I218 HydrophobicContact CG-CD1 4.24Å; P213-I218 HydrophobicContact CG-CG1 4.41Å; Y215-I218 PolarHBondContact O-N 2.91Å; E216-I218 VanDerWaalsContact C-N 3.33Å; I218-P220 WeakPolarHBondContact O-CD 3.18Å |
| 219 | H | 76.8 | Confident | 72 | Confident | 108 Ų | 108 | 126.4 Ų | 126.4 | 50% | 0.5 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -120.7 | 77.4 | -176.6 | -67.5 | -67.5 | 0 | 0 | 0 | 111.6 | Y215 E216 S221 | Y215-H219 AromaticContact CD2-CD2 3.92Å; Y215-H219 HydrophobicContact CE1-CB 4.32Å; Y215-H219 AromaticContact CE2-CD2 3.49Å; Y215-H219 VanDerWaalsContact CE2-CD2 3.49Å; Y215-H219 WeakPolarHBondContact CE2-CD2 3.44Å; Y215-H219 AromaticContact CZ-CD2 3.84Å; Y215-H219 PolarHBondContact O-N 2.98Å; E216-H219 CarbonylContact O-C 3.6Å; H219-S221 PolarHBondContact O-N 3.02Å |
| 220 | P | 78.9 | Confident | 73.1 | Confident | 109 Ų | 109 | 127.4 Ų | 127.4 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 126.7 | 174.1 | 25.1 | -34.4 | 0 | 0 | 0 | 110.5 | I218 | I218-P220 WeakPolarHBondContact O-CD 3.18Š|
| 221 | S | 76.7 | Confident | 73.4 | Confident | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.6 | -178.5 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | H219 | H219-S221 PolarHBondContact O-N 3.02Š|
| 222 | P | 79.1 | Confident | 73.4 | Confident | 112 Ų | 112 | 124.9 Ų | 124.9 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 146.1 | 176.8 | 26.6 | -34.7 | 0 | 0 | 0 | 110.8 | K224 | P222-K224 PolarHBondContact O-N 3.38Š|
| 223 | P | 73.3 | Confident | 73.2 | Confident | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131.8 | -178.9 | 25.5 | -34 | 0 | 0 | 0 | 110.3 | H225 | P223-H225 PolarHBondContact O-N 3.46Å; P223-H225 VanDerWaalsContact O-N 3.17Å |
| 224 | K | 69.7 | Low | 72.9 | Confident | 189 Ų | 189 | 128.1 Ų | 128.1 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119.3 | 167.1 | -83.5 | -175.7 | 173.6 | -179.9 | 0 | 108.3 | P222 D226 | P222-K224 PolarHBondContact O-N 3.38Å; K224-D226 PolarHBondContact O-N 3.31Å |
| 225 | H | 64.8 | Low | 72.3 | Confident | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | -80.6 | 95.2 | 168.5 | -143.6 | -58.9 | 0 | 0 | 0 | 107.1 | P223 S227 | P223-H225 PolarHBondContact O-N 3.46Å; P223-H225 VanDerWaalsContact O-N 3.17Å; H225-S227 PolarHBondContact O-N 3.4Å; H225-S227 VanDerWaalsContact O-N 3.15Å | ||
| 226 | D | 68.6 | Low | 72.4 | Confident | 142 Ų | 142 | 132.3 Ų | 132.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 111.9 | 171.8 | -71.7 | -31 | 0 | 0 | 0 | 108 | K224 | K224-D226 PolarHBondContact O-N 3.31Š| ||
| 227 | S | 59.2 | Low | 71.8 | Confident | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -86.4 | 124.5 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 110.2 | H225 | H225-S227 PolarHBondContact O-N 3.4Å; H225-S227 VanDerWaalsContact O-N 3.15Å | ||
| 228 | A | 55.3 | Low | 71.4 | Confident | 177 Ų | 177 | 133.5 Ų | 133.5 | 100% | 1.463 | 79% | 0.793 | S | S | * | * | trans | -123.4 | 0 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 228 of 228 residues in 195.8 ms
(Link to these results)