| 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 | 35.3 | Very low | 36.6 | Very low | 219 Ų | 219 | 142.1 Ų | 142.1 | 100% | 1.079 | 77% | 0.77 | S | S | * | * | 0 | 102.3 | 0 | -71.6 | -172 | 160.7 | 0 | 0 | 107.5 | F3 | M1-F3 WeakPolarHBondContact O-CE2 3.02Å; M1-F3 PolarHBondContact O-N 3.17Å | |||
| 2 | S | 34.2 | Very low | 37.1 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -81.3 | 108.9 | 179.6 | 50.1 | 0 | 0 | 0 | 0 | 108.7 | V4 | S2-V4 PolarHBondContact O-N 2.99Š| ||
| 3 | F | 33.4 | Very low | 37.8 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 82% | 0.82 | 75% | 0.747 | S | S | * | * | trans | -66.1 | 103.1 | 173.6 | -50.4 | -84.9 | 0 | 0 | 0 | 107.9 | M1 R5 | M1-F3 WeakPolarHBondContact O-CE2 3.02Å; M1-F3 PolarHBondContact O-N 3.17Å; F3-R5 VanDerWaalsContact C-N 3.33Å; F3-R5 PolarHBondContact O-N 3.01Å | ||
| 4 | V | 33.6 | Very low | 38.5 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -66.2 | 101.2 | 165.9 | 179.5 | 0 | 0 | 0 | 0 | 105.1 | S2 L6 | S2-V4 PolarHBondContact O-N 2.99Å; V4-L6 PolarHBondContact O-N 3.48Å | ||
| 5 | R | 36.7 | Very low | 39.4 | Very low | 227 Ų | 227 | 136.1 Ų | 136.1 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -58.5 | 104.4 | 168.7 | -90.7 | -179.8 | 172.1 | 162.6 | -3.2 | 106.3 | F3 V7 | F3-R5 VanDerWaalsContact C-N 3.33Å; F3-R5 PolarHBondContact O-N 3.01Å; R5-V7 PolarHBondContact O-N 3.21Å | ||
| 6 | L | 35.3 | Very low | 40.4 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 73% | 0.725 | S | S | * | * | trans | -58.8 | 96 | 160 | -91.4 | 129 | 0 | 0 | 0 | 106.2 | V4 H8 | V4-L6 PolarHBondContact O-N 3.48Å; L6-H8 PolarHBondContact O-N 3.32Å; L6-H8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | V | 35.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | trans | -65.3 | 107.7 | 168.8 | 177.1 | 0 | 0 | 0 | 0 | 105 | R5 S11 | R5-V7 PolarHBondContact O-N 3.21Å; V7-S11 VanDerWaalsContact CG1-OG 3.24Å; V7-S11 WeakPolarHBondContact CG1-OG 3.45Å | ||
| 8 | H | 34.2 | Very low | 43 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 63% | 0.634 | 71% | 0.707 | S | S | * | * | trans | -55.8 | 127.6 | 179.4 | -156.3 | -86.1 | 0 | 0 | 0 | 108 | L6 A10 S11 | L6-H8 PolarHBondContact O-N 3.32Å; L6-H8 VanDerWaalsContact O-N 3.08Å; H8-A10 WeakPolarHBondContact ND1-CB 3.2Å; H8-A10 PolarHBondContact O-N 3.22Å; H8-S11 PolarHBondContact O-N 2.98Å; H8-S11 PolarHBondContact O-OG 2.99Å | ||
| 9 | P | 41.7 | Very low | 44.3 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -61.4 | -11.2 | -176 | 21.9 | -31.7 | 0 | 0 | 0 | 113.5 | S11 C12 | P9-S11 PolarHBondContact O-N 3.06Å; P9-C12 PolarHBondContact O-N 3.01Å |
| 10 | A | 43.2 | Very low | 45.6 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -67.4 | -5.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H8 | H8-A10 WeakPolarHBondContact ND1-CB 3.2Å; H8-A10 PolarHBondContact O-N 3.22Å |
| 11 | S | 39.4 | Very low | 46.9 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 54% | 0.538 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -98.9 | 5 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | V7 H8 P9 | V7-S11 VanDerWaalsContact CG1-OG 3.24Å; V7-S11 WeakPolarHBondContact CG1-OG 3.45Å; H8-S11 PolarHBondContact O-N 2.98Å; H8-S11 PolarHBondContact O-OG 2.99Å; P9-S11 PolarHBondContact O-N 3.06Å |
| 12 | C | 42 | Very low | 48.8 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 71% | 0.709 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -67.5 | 121.8 | 164.3 | -94.6 | 0 | 0 | 0 | 0 | 108.3 | P9 L14 | P9-C12 PolarHBondContact O-N 3.01Å; C12-L14 PolarHBondContact O-N 2.97Å |
| 13 | P | 46.3 | Very low | 50.8 | Low | 81 Ų | 81 | 116.2 Ų | 116.2 | 53% | 0.526 | 64% | 0.641 | S | S | . | * | trans | -68.1 | 129.1 | -165.2 | 27.7 | -33.2 | 0 | 0 | 0 | 109.6 | E15 G16 | P13-E15 HydrophobicContact CB-CB 4.13Å; P13-E15 HydrophobicContact CB-CG 4.23Å; P13-E15 PolarHBondContact O-N 2.71Å; P13-G16 PolarHBondContact O-N 3.25Å | ||
| 14 | L | 47.6 | Very low | 53 | Low | 138 Ų | 138 | 110.4 Ų | 110.4 | 72% | 0.723 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.7 | -17.8 | 168.1 | -78 | 152.3 | 0 | 0 | 0 | 113 | C12 G16 L17 D18 | C12-L14 PolarHBondContact O-N 2.97Å; L14-G16 PolarHBondContact O-N 2.91Å; L14-L17 HydrophobicContact CD2-CD2 4.34Å; L14-L17 WeakPolarHBondContact O-CB 3.49Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-D18 PolarHBondContact O-N 2.59Å |
| 15 | E | 52.7 | Low | 55.1 | Low | 154 Ų | 154 | 107.3 Ų | 107.3 | 72% | 0.72 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -51.7 | -36 | 170.9 | -66.9 | 175.9 | 165 | 0 | 0 | 113 | P13 A19 | P13-E15 HydrophobicContact CB-CB 4.13Å; P13-E15 HydrophobicContact CB-CG 4.23Å; P13-E15 PolarHBondContact O-N 2.71Å; E15-A19 WeakPolarHBondContact O-CB 3.46Å; E15-A19 PolarHBondContact O-N 3.2Å; E15-A19 VanDerWaalsContact O-N 3.1Å |
| 16 | G | 55.6 | Low | 57.2 | Low | 43 Ų | 43 | 98.9 Ų | 98.9 | 44% | 0.443 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.2 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P13 L14 T20 | P13-G16 PolarHBondContact O-N 3.25Å; L14-G16 PolarHBondContact O-N 2.91Å; G16-T20 WeakPolarHBondContact O-CG2 3.49Å; G16-T20 PolarHBondContact O-N 3.27Å; G16-T20 PolarHBondContact O-OG1 2.87Å |
| 17 | L | 55.1 | Low | 59.6 | Low | 110 Ų | 110 | 94.8 Ų | 94.8 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.1 | -41.2 | 178.9 | -160.7 | 82.6 | 0 | 0 | 0 | 110.6 | L14 T20 M21 | L14-L17 HydrophobicContact CD2-CD2 4.34Å; L14-L17 WeakPolarHBondContact O-CB 3.49Å; L14-L17 PolarHBondContact O-N 3.36Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 2.93Å; L17-T20 PolarHBondContact O-OG1 2.88Å; L17-M21 WeakPolarHBondContact O-CG 3.22Å; L17-M21 PolarHBondContact O-N 3.08Å |
| 18 | D | 71.2 | Confident | 62 | Low | 105 Ų | 105 | 95.4 Ų | 95.4 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.5 | -46.2 | 177.9 | -145.3 | 17.7 | 0 | 0 | 0 | 110.8 | L14 T20 M21 E22 | L14-D18 PolarHBondContact O-N 2.59Å; D18-T20 VanDerWaalsContact C-N 3.3Å; D18-T20 PolarHBondContact O-N 3.06Å; D18-M21 PolarHBondContact O-N 2.77Å; D18-M21 VanDerWaalsContact O-N 3.08Å; D18-E22 WeakPolarHBondContact O-CG 3.41Å; D18-E22 PolarHBondContact O-N 3.46Å |
| 19 | A | 69 | Low | 64.5 | Low | 54 Ų | 54 | 95.6 Ų | 95.6 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.8 | -36.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E15 L23 | E15-A19 WeakPolarHBondContact O-CB 3.46Å; E15-A19 PolarHBondContact O-N 3.2Å; E15-A19 VanDerWaalsContact O-N 3.1Å; A19-L23 WeakPolarHBondContact O-CB 3.36Å; A19-L23 PolarHBondContact O-N 2.94Å |
| 20 | T | 69.3 | Low | 66.7 | Low | 74 Ų | 74 | 96.1 Ų | 96.1 | 45% | 0.454 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.3 | -35.7 | 173.7 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | G16 L17 D18 L23 C24 | G16-T20 WeakPolarHBondContact O-CG2 3.49Å; G16-T20 PolarHBondContact O-N 3.27Å; G16-T20 PolarHBondContact O-OG1 2.87Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 2.93Å; L17-T20 PolarHBondContact O-OG1 2.88Å; D18-T20 VanDerWaalsContact C-N 3.3Å; D18-T20 PolarHBondContact O-N 3.06Å; T20-L23 PolarHBondContact O-N 3.43Å; T20-C24 PolarHBondContact O-N 3.25Å; T20-C24 PolarHBondContact O-SG 3.25Å |
| 21 | M | 72.8 | Confident | 68.8 | Low | 107 Ų | 107 | 95.3 Ų | 95.3 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 175.6 | -77.5 | -62.3 | -58.5 | 0 | 0 | 111.2 | L17 D18 L23 C24 C25 | L17-M21 WeakPolarHBondContact O-CG 3.22Å; L17-M21 PolarHBondContact O-N 3.08Å; D18-M21 PolarHBondContact O-N 2.77Å; D18-M21 VanDerWaalsContact O-N 3.08Å; M21-L23 VanDerWaalsContact C-N 3.3Å; M21-L23 PolarHBondContact O-N 3.11Å; M21-C24 PolarHBondContact O-N 3.46Å; M21-C25 PolarHBondContact O-N 2.96Å; M21-C25 PolarHBondContact O-SG 3.16Å |
| 22 | E | 75.1 | Confident | 71.1 | Confident | 134 Ų | 134 | 95.9 Ų | 95.9 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.3 | -42.4 | 173 | -72.7 | -174.5 | 168.2 | 0 | 0 | 111.7 | D18 C25 A26 | D18-E22 WeakPolarHBondContact O-CG 3.41Å; D18-E22 PolarHBondContact O-N 3.46Å; E22-C25 PolarHBondContact O-N 2.84Å; E22-A26 WeakPolarHBondContact O-CB 3.02Å; E22-A26 PolarHBondContact O-N 3.2Å |
| 23 | L | 76 | Confident | 73.4 | Confident | 105 Ų | 105 | 93.1 Ų | 93.1 | 55% | 0.55 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -43 | 175.8 | -177.7 | 65.5 | 0 | 0 | 0 | 111.9 | A19 T20 M21 A26 I27 | A19-L23 WeakPolarHBondContact O-CB 3.36Å; A19-L23 PolarHBondContact O-N 2.94Å; T20-L23 PolarHBondContact O-N 3.43Å; M21-L23 VanDerWaalsContact C-N 3.3Å; M21-L23 PolarHBondContact O-N 3.11Å; L23-A26 PolarHBondContact O-N 2.96Å; L23-I27 HydrophobicContact CD1-CD1 4.18Å; L23-I27 HydrophobicContact CD1-CG1 4.42Å; L23-I27 HydrophobicContact CG-CD1 3.91Å; L23-I27 WeakPolarHBondContact O-CB 3.46Å; L23-I27 VanDerWaalsContact O-CG1 3.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 2.75Å |
| 24 | C | 79.8 | Confident | 75.5 | Confident | 65 Ų | 65 | 95 Ų | 95 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 175.7 | -73.9 | 0 | 0 | 0 | 0 | 111.3 | T20 M21 A26 I27 E28 | T20-C24 PolarHBondContact O-N 3.25Å; T20-C24 PolarHBondContact O-SG 3.25Å; M21-C24 PolarHBondContact O-N 3.46Å; C24-A26 PolarHBondContact O-N 3.36Å; C24-I27 PolarHBondContact O-N 2.78Å; C24-E28 WeakPolarHBondContact O-CG 3.45Å; C24-E28 PolarHBondContact O-N 3.11Å |
| 25 | C | 78.6 | Confident | 77.6 | Confident | 60 Ų | 60 | 91.6 Ų | 91.6 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | M21 E22 I27 E28 E29 | M21-C25 PolarHBondContact O-N 2.96Å; M21-C25 PolarHBondContact O-SG 3.16Å; E22-C25 PolarHBondContact O-N 2.84Å; C25-I27 PolarHBondContact O-N 2.74Å; C25-E28 PolarHBondContact O-N 3.11Å; C25-E29 WeakPolarHBondContact O-CB 3.41Å; C25-E29 WeakPolarHBondContact O-CG 3.47Å; C25-E29 PolarHBondContact O-N 2.92Å |
| 26 | A | 81.2 | Confident | 79.4 | Confident | 51 Ų | 51 | 93.1 Ų | 93.1 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E22 L23 C24 M30 | E22-A26 WeakPolarHBondContact O-CB 3.02Å; E22-A26 PolarHBondContact O-N 3.2Å; L23-A26 PolarHBondContact O-N 2.96Å; C24-A26 PolarHBondContact O-N 3.36Å; A26-M30 VanDerWaalsContact O-CB 3.27Å; A26-M30 WeakPolarHBondContact O-CB 3.49Å; A26-M30 PolarHBondContact O-N 3.44Å |
| 27 | I | 84.8 | Confident | 81 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 42% | 0.415 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 175.1 | -70.2 | 167.7 | 0 | 0 | 0 | 110.4 | L23 C24 C25 M30 T31 | L23-I27 HydrophobicContact CD1-CD1 4.18Å; L23-I27 HydrophobicContact CD1-CG1 4.42Å; L23-I27 HydrophobicContact CG-CD1 3.91Å; L23-I27 WeakPolarHBondContact O-CB 3.46Å; L23-I27 VanDerWaalsContact O-CG1 3.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 2.75Å; C24-I27 PolarHBondContact O-N 2.78Å; C25-I27 PolarHBondContact O-N 2.74Å; I27-M30 PolarHBondContact O-N 3.44Å; I27-T31 VanDerWaalsContact O-CB 3.28Å; I27-T31 WeakPolarHBondContact O-CB 3.37Å; I27-T31 PolarHBondContact O-N 3Å; I27-T31 PolarHBondContact O-OG1 2.83Å |
| 28 | E | 85.7 | Confident | 82.8 | Confident | 125 Ų | 125 | 100.4 Ų | 100.4 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 176.2 | -76 | -177.2 | 180 | 0 | 0 | 111.6 | C24 C25 M30 T31 N32 | C24-E28 WeakPolarHBondContact O-CG 3.45Å; C24-E28 PolarHBondContact O-N 3.11Å; C25-E28 PolarHBondContact O-N 3.11Å; E28-M30 PolarHBondContact O-N 2.84Å; E28-T31 PolarHBondContact O-N 2.9Å; E28-N32 WeakPolarHBondContact O-CB 3.34Å; E28-N32 VanDerWaalsContact O-CG 3.28Å; E28-N32 PolarHBondContact O-N 2.99Å; E28-N32 PolarHBondContact O-ND2 3.05Å |
| 29 | E | 86.6 | Confident | 83.9 | Confident | 141 Ų | 141 | 99.1 Ų | 99.1 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -45.5 | 175.3 | -75.8 | -177.8 | -179.6 | 0 | 0 | 112.1 | C25 T31 N32 S33 | C25-E29 WeakPolarHBondContact O-CB 3.41Å; C25-E29 WeakPolarHBondContact O-CG 3.47Å; C25-E29 PolarHBondContact O-N 2.92Å; E29-T31 VanDerWaalsContact C-N 3.32Å; E29-T31 PolarHBondContact O-N 3.22Å; E29-N32 PolarHBondContact O-N 2.77Å; E29-S33 VanDerWaalsContact O-CB 3.24Å; E29-S33 WeakPolarHBondContact O-CB 3.36Å; E29-S33 PolarHBondContact O-N 2.99Å |
| 30 | M | 89 | Confident | 85 | Confident | 123 Ų | 123 | 101 Ų | 101 | 61% | 0.606 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 176.3 | -178.2 | 179.7 | 58.1 | 0 | 0 | 111.1 | A26 I27 E28 S33 L34 | A26-M30 VanDerWaalsContact O-CB 3.27Å; A26-M30 WeakPolarHBondContact O-CB 3.49Å; A26-M30 PolarHBondContact O-N 3.44Å; I27-M30 PolarHBondContact O-N 3.44Å; E28-M30 PolarHBondContact O-N 2.84Å; M30-S33 PolarHBondContact O-N 2.99Å; M30-L34 WeakPolarHBondContact O-CB 3.46Å; M30-L34 PolarHBondContact O-N 3.09Å |
| 31 | T | 86.6 | Confident | 86 | Confident | 68 Ų | 68 | 101.8 Ų | 101.8 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 178.9 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | I27 E28 E29 S33 L34 V35 | I27-T31 VanDerWaalsContact O-CB 3.28Å; I27-T31 WeakPolarHBondContact O-CB 3.37Å; I27-T31 PolarHBondContact O-N 3Å; I27-T31 PolarHBondContact O-OG1 2.83Å; E28-T31 PolarHBondContact O-N 2.9Å; E29-T31 VanDerWaalsContact C-N 3.32Å; E29-T31 PolarHBondContact O-N 3.22Å; T31-S33 VanDerWaalsContact C-N 3.33Å; T31-S33 PolarHBondContact O-N 2.7Å; T31-L34 WeakPolarHBondContact O-CB 3.47Å; T31-L34 PolarHBondContact O-N 3.49Å; T31-V35 HydrophobicContact CG2-CG2 4.45Å; T31-V35 VanDerWaalsContact O-CG2 3.29Å; T31-V35 WeakPolarHBondContact O-CG2 3.44Å; T31-V35 PolarHBondContact O-N 2.75Å |
| 32 | N | 88.7 | Confident | 86.8 | Confident | 89 Ų | 89 | 100 Ų | 100 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176 | -75.2 | -32.1 | 0 | 0 | 0 | 111.8 | E28 E29 V35 R36 | E28-N32 WeakPolarHBondContact O-CB 3.34Å; E28-N32 VanDerWaalsContact O-CG 3.28Å; E28-N32 PolarHBondContact O-N 2.99Å; E28-N32 PolarHBondContact O-ND2 3.05Å; E29-N32 PolarHBondContact O-N 2.77Å; N32-V35 PolarHBondContact O-N 2.77Å; N32-R36 WeakPolarHBondContact O-CB 3.32Å; N32-R36 WeakPolarHBondContact O-CG 3.18Å; N32-R36 PolarHBondContact O-N 3.12Å |
| 33 | S | 90.4 | Very high | 87.6 | Confident | 48 Ų | 48 | 99 Ų | 99 | 34% | 0.336 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | E29 M30 T31 R36 R37 | E29-S33 VanDerWaalsContact O-CB 3.24Å; E29-S33 WeakPolarHBondContact O-CB 3.36Å; E29-S33 PolarHBondContact O-N 2.99Å; M30-S33 PolarHBondContact O-N 2.99Å; T31-S33 VanDerWaalsContact C-N 3.33Å; T31-S33 PolarHBondContact O-N 2.7Å; S33-R36 PolarHBondContact O-N 3.44Å; S33-R37 WeakPolarHBondContact O-CG 3.43Å; S33-R37 PolarHBondContact O-N 2.69Å |
| 34 | L | 90.3 | Very high | 88.4 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -45.7 | 177.1 | -165 | 95.9 | 0 | 0 | 0 | 111.5 | M30 T31 R37 F38 | M30-L34 WeakPolarHBondContact O-CB 3.46Å; M30-L34 PolarHBondContact O-N 3.09Å; T31-L34 WeakPolarHBondContact O-CB 3.47Å; T31-L34 PolarHBondContact O-N 3.49Å; L34-R37 PolarHBondContact O-N 3.07Å; L34-F38 WeakPolarHBondContact O-CB 3.49Å; L34-F38 PolarHBondContact O-N 3.45Å |
| 35 | V | 91.3 | Very high | 88.9 | Confident | 67 Ų | 67 | 102.2 Ų | 102.2 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 177.8 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | T31 N32 R37 F38 N39 | T31-V35 HydrophobicContact CG2-CG2 4.45Å; T31-V35 VanDerWaalsContact O-CG2 3.29Å; T31-V35 WeakPolarHBondContact O-CG2 3.44Å; T31-V35 PolarHBondContact O-N 2.75Å; N32-V35 PolarHBondContact O-N 2.77Å; V35-R37 PolarHBondContact O-N 2.97Å; V35-F38 PolarHBondContact O-N 3.04Å; V35-N39 WeakPolarHBondContact O-CB 3.49Å; V35-N39 VanDerWaalsContact O-CG 3.27Å; V35-N39 PolarHBondContact O-N 3.04Å; V35-N39 PolarHBondContact O-ND2 3.18Å |
| 36 | R | 89.5 | Confident | 89.6 | Confident | 186 Ų | 186 | 105 Ų | 105 | 70% | 0.702 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.2 | -46.6 | 174.7 | -77 | 177.7 | -178.7 | 155.1 | 0.4 | 111.9 | N32 S33 F38 N39 V40 | N32-R36 WeakPolarHBondContact O-CB 3.32Å; N32-R36 WeakPolarHBondContact O-CG 3.18Å; N32-R36 PolarHBondContact O-N 3.12Å; S33-R36 PolarHBondContact O-N 3.44Å; R36-F38 VanDerWaalsContact C-N 3.33Å; R36-F38 PolarHBondContact O-N 3.43Å; R36-N39 PolarHBondContact O-N 3.48Å; R36-V40 WeakPolarHBondContact O-CG2 3.44Å; R36-V40 PolarHBondContact O-N 2.95Å; R36-V40 VanDerWaalsContact O-N 3.13Å |
| 37 | R | 90.6 | Very high | 90.1 | Very high | 180 Ų | 180 | 108.5 Ų | 108.5 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 176.9 | -72.1 | 176.7 | -174.2 | -170.4 | 2 | 112.1 | S33 L34 V35 V40 V41 | S33-R37 WeakPolarHBondContact O-CG 3.43Å; S33-R37 PolarHBondContact O-N 2.69Å; L34-R37 PolarHBondContact O-N 3.07Å; V35-R37 PolarHBondContact O-N 2.97Å; R37-V40 PolarHBondContact O-N 2.71Å; R37-V41 WeakPolarHBondContact O-CG2 3.45Å; R37-V41 PolarHBondContact O-N 3.2Å |
| 38 | F | 93.3 | Very high | 90.5 | Very high | 127 Ų | 127 | 113.2 Ų | 113.2 | 56% | 0.557 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 178.5 | -171 | -107.8 | 0 | 0 | 0 | 111.8 | L34 V35 R36 V40 V41 L42 | L34-F38 WeakPolarHBondContact O-CB 3.49Å; L34-F38 PolarHBondContact O-N 3.45Å; V35-F38 PolarHBondContact O-N 3.04Å; R36-F38 VanDerWaalsContact C-N 3.33Å; R36-F38 PolarHBondContact O-N 3.43Å; F38-V40 PolarHBondContact O-N 3.1Å; F38-V41 PolarHBondContact O-N 3.05Å; F38-V41 VanDerWaalsContact O-N 3.16Å; F38-L42 HydrophobicContact CD1-CD1 3.59Å; F38-L42 HydrophobicContact CD1-CG 4.05Å; F38-L42 HydrophobicContact CE1-CD1 3.32Å; F38-L42 HydrophobicContact CE1-CD2 4.23Å; F38-L42 HydrophobicContact CE1-CG 3.77Å; F38-L42 HydrophobicContact CZ-CD1 4.12Å; F38-L42 HydrophobicContact CZ-CD2 4.2Å; F38-L42 HydrophobicContact CZ-CG 4.11Å; F38-L42 PolarHBondContact O-N 3.42Å |
| 39 | N | 92.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 112.5 Ų | 112.5 | 42% | 0.417 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.3 | -71.4 | -15.7 | 0 | 0 | 0 | 111.9 | V35 R36 V41 L42 E43 | V35-N39 WeakPolarHBondContact O-CB 3.49Å; V35-N39 VanDerWaalsContact O-CG 3.27Å; V35-N39 PolarHBondContact O-N 3.04Å; V35-N39 PolarHBondContact O-ND2 3.18Å; R36-N39 PolarHBondContact O-N 3.48Å; N39-V41 VanDerWaalsContact C-N 3.29Å; N39-V41 PolarHBondContact O-N 3.27Å; N39-L42 PolarHBondContact O-N 3.04Å; N39-E43 WeakPolarHBondContact O-CG 3.49Å; N39-E43 PolarHBondContact O-N 3.5Å |
| 40 | V | 91.9 | Very high | 90.9 | Very high | 93 Ų | 93 | 111 Ų | 111 | 56% | 0.564 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60 | -40 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | R36 R37 F38 K44 | R36-V40 WeakPolarHBondContact O-CG2 3.44Å; R36-V40 PolarHBondContact O-N 2.95Å; R36-V40 VanDerWaalsContact O-N 3.13Å; R37-V40 PolarHBondContact O-N 2.71Å; F38-V40 PolarHBondContact O-N 3.1Å; V40-K44 WeakPolarHBondContact O-CB 3.39Å; V40-K44 PolarHBondContact O-N 2.86Å; V40-K44 VanDerWaalsContact O-N 3.12Å |
| 41 | V | 91.4 | Very high | 90.9 | Very high | 90 Ų | 90 | 108.7 Ų | 108.7 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -42 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | R37 F38 N39 K44 L45 | R37-V41 WeakPolarHBondContact O-CG2 3.45Å; R37-V41 PolarHBondContact O-N 3.2Å; F38-V41 PolarHBondContact O-N 3.05Å; F38-V41 VanDerWaalsContact O-N 3.16Å; N39-V41 VanDerWaalsContact C-N 3.29Å; N39-V41 PolarHBondContact O-N 3.27Å; V41-K44 PolarHBondContact O-N 3.31Å; V41-L45 WeakPolarHBondContact O-CB 3.47Å; V41-L45 PolarHBondContact O-N 2.82Å |
| 42 | L | 90 | Very high | 91 | Very high | 69 Ų | 69 | 109.9 Ų | 109.9 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 177.1 | -79.7 | 177.4 | 0 | 0 | 0 | 112 | F38 N39 K44 L45 Q46 | F38-L42 HydrophobicContact CD1-CD1 3.59Å; F38-L42 HydrophobicContact CD1-CG 4.05Å; F38-L42 HydrophobicContact CE1-CD1 3.32Å; F38-L42 HydrophobicContact CE1-CD2 4.23Å; F38-L42 HydrophobicContact CE1-CG 3.77Å; F38-L42 HydrophobicContact CZ-CD1 4.12Å; F38-L42 HydrophobicContact CZ-CD2 4.2Å; F38-L42 HydrophobicContact CZ-CG 4.11Å; F38-L42 PolarHBondContact O-N 3.42Å; N39-L42 PolarHBondContact O-N 3.04Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 3.36Å; L42-L45 WeakPolarHBondContact O-CB 3.36Å; L42-L45 PolarHBondContact O-N 2.99Å; L42-L45 VanDerWaalsContact O-N 3.12Å; L42-Q46 WeakPolarHBondContact O-CG 3.24Å; L42-Q46 PolarHBondContact O-N 3.22Å |
| 43 | E | 92.5 | Very high | 91 | Very high | 115 Ų | 115 | 106.9 Ų | 106.9 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 176.9 | -75.7 | -178.5 | 172.9 | 0 | 0 | 111.3 | N39 L45 Q46 Q47 | N39-E43 WeakPolarHBondContact O-CG 3.49Å; N39-E43 PolarHBondContact O-N 3.5Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 2.94Å; E43-Q46 PolarHBondContact O-N 3.04Å; E43-Q47 WeakPolarHBondContact O-CG 3.42Å; E43-Q47 PolarHBondContact O-N 3.35Å |
| 44 | K | 91.8 | Very high | 90.8 | Very high | 139 Ų | 139 | 112.1 Ų | 112.1 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.1 | -34.8 | 176.8 | -169 | 171.8 | -173.1 | 170.4 | 0 | 112.3 | V40 V41 L42 R48 | V40-K44 WeakPolarHBondContact O-CB 3.39Å; V40-K44 PolarHBondContact O-N 2.86Å; V40-K44 VanDerWaalsContact O-N 3.12Å; V41-K44 PolarHBondContact O-N 3.31Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 3.36Å; K44-R48 WeakPolarHBondContact O-CG 3.36Å; K44-R48 PolarHBondContact O-N 2.58Å |
| 45 | L | 90.8 | Very high | 90.8 | Very high | 98 Ų | 98 | 114.6 Ų | 114.6 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71 | -42.8 | 176.5 | -161.1 | 114.7 | 0 | 0 | 0 | 111.1 | V41 L42 E43 R48 L49 | V41-L45 WeakPolarHBondContact O-CB 3.47Å; V41-L45 PolarHBondContact O-N 2.82Å; L42-L45 WeakPolarHBondContact O-CB 3.36Å; L42-L45 PolarHBondContact O-N 2.99Å; L42-L45 VanDerWaalsContact O-N 3.12Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 2.94Å; L45-R48 PolarHBondContact O-N 3.13Å; L45-L49 HydrophobicContact CD2-CD1 3.65Å; L45-L49 HydrophobicContact CG-CD1 4.22Å; L45-L49 PolarHBondContact O-N 2.71Å |
| 46 | Q | 92.4 | Very high | 90.6 | Very high | 119 Ų | 119 | 115.9 Ų | 115.9 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.3 | -48.4 | 174.6 | -77.1 | 177.1 | -19.6 | 0 | 0 | 111.5 | L42 E43 R48 L49 E50 | L42-Q46 WeakPolarHBondContact O-CG 3.24Å; L42-Q46 PolarHBondContact O-N 3.22Å; E43-Q46 PolarHBondContact O-N 3.04Å; Q46-R48 VanDerWaalsContact C-N 3.28Å; Q46-R48 PolarHBondContact O-N 2.9Å; Q46-L49 WeakPolarHBondContact O-CB 3.46Å; Q46-L49 PolarHBondContact O-N 2.83Å; Q46-L49 VanDerWaalsContact O-N 3.11Å; Q46-E50 PolarHBondContact O-N 2.86Å |
| 47 | Q | 91.8 | Very high | 90.4 | Very high | 123 Ų | 123 | 111.3 Ų | 111.3 | 58% | 0.575 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.5 | -39.9 | 176.2 | -73.2 | 176.4 | -1.3 | 0 | 0 | 112.5 | E43 T51 | E43-Q47 WeakPolarHBondContact O-CG 3.42Å; E43-Q47 PolarHBondContact O-N 3.35Å; Q47-T51 WeakPolarHBondContact O-CB 3.43Å; Q47-T51 PolarHBondContact O-N 3.26Å; Q47-T51 PolarHBondContact O-OG1 3.47Å |
| 48 | R | 92.9 | Very high | 90 | Very high | 180 Ų | 180 | 104.7 Ų | 104.7 | 68% | 0.679 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 176.2 | -81.5 | -174.6 | 145.1 | -163.4 | -5.7 | 112.3 | K44 L45 Q46 T51 I52 | K44-R48 WeakPolarHBondContact O-CG 3.36Å; K44-R48 PolarHBondContact O-N 2.58Å; L45-R48 PolarHBondContact O-N 3.13Å; Q46-R48 VanDerWaalsContact C-N 3.28Å; Q46-R48 PolarHBondContact O-N 2.9Å; R48-T51 PolarHBondContact O-N 2.95Å; R48-I52 VanDerWaalsContact O-CG1 3.3Å; R48-I52 WeakPolarHBondContact O-CG1 3.37Å; R48-I52 PolarHBondContact O-N 3.02Å |
| 49 | L | 90.2 | Very high | 89.1 | Confident | 110 Ų | 110 | 103.8 Ų | 103.8 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 176 | -96.6 | 140.3 | 0 | 0 | 0 | 111.5 | L45 Q46 T51 I52 G53 | L45-L49 HydrophobicContact CD2-CD1 3.65Å; L45-L49 HydrophobicContact CG-CD1 4.22Å; L45-L49 PolarHBondContact O-N 2.71Å; Q46-L49 WeakPolarHBondContact O-CB 3.46Å; Q46-L49 PolarHBondContact O-N 2.83Å; Q46-L49 VanDerWaalsContact O-N 3.11Å; L49-T51 VanDerWaalsContact C-N 3.34Å; L49-T51 PolarHBondContact O-N 2.87Å; L49-I52 PolarHBondContact O-N 3.41Å; L49-G53 PolarHBondContact O-N 2.94Å |
| 50 | E | 90.5 | Very high | 88.5 | Confident | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 174.4 | -74.7 | -177.6 | -170.8 | 0 | 0 | 112.6 | Q46 I52 G53 R54 | Q46-E50 PolarHBondContact O-N 2.86Å; E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 3.14Å; E50-G53 PolarHBondContact O-N 3.01Å; E50-R54 WeakPolarHBondContact O-CG 3.26Å; E50-R54 PolarHBondContact O-N 2.92Å; E50-R54 IonicContact OE2-NH2 2.86Å; E50-R54 PolarHBondContact OE2-NH2 3.36Å |
| 51 | T | 89.2 | Confident | 87.9 | Confident | 75 Ų | 75 | 105.9 Ų | 105.9 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.4 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | Q47 R48 L49 R55 | Q47-T51 WeakPolarHBondContact O-CB 3.43Å; Q47-T51 PolarHBondContact O-N 3.26Å; Q47-T51 PolarHBondContact O-OG1 3.47Å; R48-T51 PolarHBondContact O-N 2.95Å; L49-T51 VanDerWaalsContact C-N 3.34Å; L49-T51 PolarHBondContact O-N 2.87Å; T51-R55 VanDerWaalsContact O-CG 3.32Å; T51-R55 WeakPolarHBondContact O-CG 3Å; T51-R55 PolarHBondContact O-N 3.1Å; T51-R55 VanDerWaalsContact O-N 3.17Å |
| 52 | I | 89.8 | Confident | 87.1 | Confident | 93 Ų | 93 | 107.2 Ų | 107.2 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 175.8 | -68.1 | 165.5 | 0 | 0 | 0 | 110.5 | R48 L49 E50 R54 R55 I56 | R48-I52 VanDerWaalsContact O-CG1 3.3Å; R48-I52 WeakPolarHBondContact O-CG1 3.37Å; R48-I52 PolarHBondContact O-N 3.02Å; L49-I52 PolarHBondContact O-N 3.41Å; E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 3.14Å; I52-R54 PolarHBondContact O-N 2.92Å; I52-R55 WeakPolarHBondContact O-CB 3.23Å; I52-R55 PolarHBondContact O-N 3.47Å; I52-R55 VanDerWaalsContact O-N 3.14Å; I52-I56 HydrophobicContact CG2-CD1 3.81Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 WeakPolarHBondContact O-CG1 3.49Å; I52-I56 PolarHBondContact O-N 2.88Å |
| 53 | G | 88.5 | Confident | 85.9 | Confident | 26 Ų | 26 | 109.5 Ų | 109.5 | 27% | 0.268 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -53.9 | -52.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L49 E50 R55 I56 D57 | L49-G53 PolarHBondContact O-N 2.94Å; E50-G53 PolarHBondContact O-N 3.01Å; G53-R55 VanDerWaalsContact C-N 3.27Å; G53-R55 PolarHBondContact O-N 3.18Å; G53-I56 WeakPolarHBondContact O-CA 3.45Å; G53-I56 WeakPolarHBondContact O-CB 3.03Å; G53-I56 PolarHBondContact O-N 3.33Å; G53-D57 VanDerWaalsContact O-CG 3.28Å; G53-D57 PolarHBondContact O-N 2.75Å |
| 54 | R | 86.5 | Confident | 84.9 | Confident | 158 Ų | 158 | 108.2 Ų | 108.2 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.2 | -36.2 | 176.9 | -71.2 | -175.9 | -118.4 | 179.6 | -5.1 | 113.4 | E50 I52 A58 | E50-R54 WeakPolarHBondContact O-CG 3.26Å; E50-R54 PolarHBondContact O-N 2.92Å; E50-R54 IonicContact OE2-NH2 2.86Å; E50-R54 PolarHBondContact OE2-NH2 3.36Å; I52-R54 PolarHBondContact O-N 2.92Å; R54-A58 WeakPolarHBondContact O-CB 3.24Å; R54-A58 PolarHBondContact O-N 3.16Å |
| 55 | R | 88.8 | Confident | 83.7 | Confident | 171 Ų | 171 | 108.4 Ų | 108.4 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.6 | -36.6 | 175.9 | -74.4 | 175.9 | 67.4 | -171.8 | 1.4 | 112 | T51 I52 G53 L59 | T51-R55 VanDerWaalsContact O-CG 3.32Å; T51-R55 WeakPolarHBondContact O-CG 3Å; T51-R55 PolarHBondContact O-N 3.1Å; T51-R55 VanDerWaalsContact O-N 3.17Å; I52-R55 WeakPolarHBondContact O-CB 3.23Å; I52-R55 PolarHBondContact O-N 3.47Å; I52-R55 VanDerWaalsContact O-N 3.14Å; G53-R55 VanDerWaalsContact C-N 3.27Å; G53-R55 PolarHBondContact O-N 3.18Å; R55-L59 WeakPolarHBondContact O-CB 3.5Å; R55-L59 VanDerWaalsContact O-CG 3.28Å; R55-L59 WeakPolarHBondContact O-CG 3.5Å; R55-L59 PolarHBondContact O-N 2.86Å |
| 56 | I | 88.4 | Confident | 82 | Confident | 94 Ų | 94 | 109 Ų | 109 | 48% | 0.482 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 175.3 | -68.1 | 168.3 | 0 | 0 | 0 | 109.5 | I52 G53 A58 L59 E60 | I52-I56 HydrophobicContact CG2-CD1 3.81Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 WeakPolarHBondContact O-CG1 3.49Å; I52-I56 PolarHBondContact O-N 2.88Å; G53-I56 WeakPolarHBondContact O-CA 3.45Å; G53-I56 WeakPolarHBondContact O-CB 3.03Å; G53-I56 PolarHBondContact O-N 3.33Å; I56-A58 VanDerWaalsContact C-N 3.3Å; I56-A58 PolarHBondContact O-N 2.95Å; I56-L59 CarbonylContact O-C 3.59Å; I56-L59 WeakPolarHBondContact O-CB 3.48Å; I56-L59 PolarHBondContact O-N 2.93Å; I56-E60 PolarHBondContact O-N 2.68Å |
| 57 | D | 85.4 | Confident | 80.1 | Confident | 90 Ų | 90 | 107.7 Ų | 107.7 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 177 | -58.8 | -25.6 | 0 | 0 | 0 | 111.4 | G53 E60 N61 | G53-D57 VanDerWaalsContact O-CG 3.28Å; G53-D57 PolarHBondContact O-N 2.75Å; D57-E60 PolarHBondContact O-N 3.13Å; D57-N61 WeakPolarHBondContact O-CB 3.19Å; D57-N61 VanDerWaalsContact O-CG 3.31Å; D57-N61 PolarHBondContact O-N 3.11Å; D57-N61 PolarHBondContact O-ND2 2.83Å |
| 58 | A | 80.9 | Confident | 78.1 | Confident | 41 Ų | 41 | 107.2 Ų | 107.2 | 34% | 0.339 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R54 I56 N61 H62 | R54-A58 WeakPolarHBondContact O-CB 3.24Å; R54-A58 PolarHBondContact O-N 3.16Å; I56-A58 VanDerWaalsContact C-N 3.3Å; I56-A58 PolarHBondContact O-N 2.95Å; A58-N61 PolarHBondContact O-N 2.83Å; A58-H62 PolarHBondContact O-N 2.89Å; A58-H62 PolarHBondContact O-ND1 3.18Å |
| 59 | L | 75.4 | Confident | 75.7 | Confident | 107 Ų | 107 | 106.9 Ų | 106.9 | 56% | 0.56 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 176.8 | -76.3 | 168.7 | 0 | 0 | 0 | 111.9 | R55 I56 N61 H62 L63 | R55-L59 WeakPolarHBondContact O-CB 3.5Å; R55-L59 VanDerWaalsContact O-CG 3.28Å; R55-L59 WeakPolarHBondContact O-CG 3.5Å; R55-L59 PolarHBondContact O-N 2.86Å; I56-L59 CarbonylContact O-C 3.59Å; I56-L59 WeakPolarHBondContact O-CB 3.48Å; I56-L59 PolarHBondContact O-N 2.93Å; L59-N61 VanDerWaalsContact C-N 3.33Å; L59-H62 PolarHBondContact O-N 3.44Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.22Å |
| 60 | E | 80.3 | Confident | 73.6 | Confident | 124 Ų | 124 | 106.4 Ų | 106.4 | 58% | 0.579 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -41.1 | 175.8 | -172.6 | 170.2 | -175.6 | 0 | 0 | 111.3 | I56 D57 L63 S64 | I56-E60 PolarHBondContact O-N 2.68Å; D57-E60 PolarHBondContact O-N 3.13Å; E60-L63 PolarHBondContact O-N 2.81Å; E60-S64 PolarHBondContact O-N 3.1Å; E60-S64 PolarHBondContact O-OG 3.01Å |
| 61 | N | 79.2 | Confident | 71 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 49% | 0.492 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.4 | -39.6 | 173.2 | -75.1 | -29.6 | 0 | 0 | 0 | 112.8 | D57 A58 L59 L63 S64 Q65 | D57-N61 WeakPolarHBondContact O-CB 3.19Å; D57-N61 VanDerWaalsContact O-CG 3.31Å; D57-N61 PolarHBondContact O-N 3.11Å; D57-N61 PolarHBondContact O-ND2 2.83Å; A58-N61 PolarHBondContact O-N 2.83Å; L59-N61 VanDerWaalsContact C-N 3.33Å; N61-L63 VanDerWaalsContact C-N 3.32Å; N61-S64 WeakPolarHBondContact CA-OG 3.41Å; N61-S64 PolarHBondContact O-N 3.45Å; N61-S64 PolarHBondContact O-OG 2.86Å; N61-Q65 WeakPolarHBondContact O-CB 3.49Å; N61-Q65 VanDerWaalsContact O-CG 3.23Å; N61-Q65 WeakPolarHBondContact O-CG 3.28Å; N61-Q65 PolarHBondContact O-N 3.01Å |
| 62 | H | 73.9 | Confident | 68.4 | Low | 118 Ų | 118 | 110.7 Ų | 110.7 | 55% | 0.546 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.3 | -37.6 | 173.4 | -69.2 | 108.3 | 0 | 0 | 0 | 111.5 | A58 L59 Q65 L66 | A58-H62 PolarHBondContact O-N 2.89Å; A58-H62 PolarHBondContact O-ND1 3.18Å; L59-H62 PolarHBondContact O-N 3.44Å; H62-Q65 PolarHBondContact O-N 3.27Å; H62-L66 WeakPolarHBondContact O-CG 3.34Å; H62-L66 PolarHBondContact O-N 3.35Å |
| 63 | L | 65.3 | Low | 65.7 | Low | 117 Ų | 117 | 110.4 Ų | 110.4 | 61% | 0.613 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.4 | -35.1 | 176.9 | -73.3 | 170.7 | 0 | 0 | 0 | 112.3 | L59 E60 N61 L66 | L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.22Å; E60-L63 PolarHBondContact O-N 2.81Å; N61-L63 VanDerWaalsContact C-N 3.32Å; L63-L66 HydrophobicContact CD2-CD1 3.72Å; L63-L66 WeakPolarHBondContact O-CB 3.41Å; L63-L66 PolarHBondContact O-N 3.4Å |
| 64 | S | 71.2 | Confident | 62.9 | Low | 88 Ų | 88 | 113.9 Ų | 113.9 | 62% | 0.615 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.9 | -28.3 | 175.4 | 65.6 | 0 | 0 | 0 | 0 | 112.7 | E60 N61 | E60-S64 PolarHBondContact O-N 3.1Å; E60-S64 PolarHBondContact O-OG 3.01Å; N61-S64 WeakPolarHBondContact CA-OG 3.41Å; N61-S64 PolarHBondContact O-N 3.45Å; N61-S64 PolarHBondContact O-OG 2.86Å |
| 65 | Q | 67.4 | Low | 60.2 | Low | 143 Ų | 143 | 111.9 Ų | 111.9 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.9 | -17 | 171.4 | -73 | 177.2 | 24.6 | 0 | 0 | 113.6 | N61 H62 P67 | N61-Q65 WeakPolarHBondContact O-CB 3.49Å; N61-Q65 VanDerWaalsContact O-CG 3.23Å; N61-Q65 WeakPolarHBondContact O-CG 3.28Å; N61-Q65 PolarHBondContact O-N 3.01Å; H62-Q65 PolarHBondContact O-N 3.27Å; Q65-P67 VanDerWaalsContact O-CD 3.24Å; Q65-P67 WeakPolarHBondContact O-CD 3.25Å |
| 66 | L | 55 | Low | 57.5 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -58.2 | 117.5 | 172.5 | -80.8 | 166.9 | 0 | 0 | 0 | 107.4 | H62 L63 S68 | H62-L66 WeakPolarHBondContact O-CG 3.34Å; H62-L66 PolarHBondContact O-N 3.35Å; L63-L66 HydrophobicContact CD2-CD1 3.72Å; L63-L66 WeakPolarHBondContact O-CB 3.41Å; L63-L66 PolarHBondContact O-N 3.4Å; L66-S68 PolarHBondContact O-N 2.96Å; L66-S68 VanDerWaalsContact O-N 3.1Å |
| 67 | P | 50.8 | Low | 54.9 | Low | 93 Ų | 93 | 110.9 Ų | 110.9 | 60% | 0.604 | 62% | 0.622 | S | S | * | * | trans | -58.8 | 126.8 | 176.7 | 23.3 | -30.6 | 0 | 0 | 0 | 106.7 | Q65 R69 | Q65-P67 VanDerWaalsContact O-CD 3.24Å; Q65-P67 WeakPolarHBondContact O-CD 3.25Å; P67-R69 HydrophobicContact CB-CG 4.21Å; P67-R69 HydrophobicContact CG-CG 4.33Å; P67-R69 PolarHBondContact O-N 3.1Å | ||
| 68 | S | 49.8 | Very low | 52 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | trans | -66.8 | 64 | 170.3 | 27.5 | 0 | 0 | 0 | 0 | 109.2 | L66 S70 | L66-S68 PolarHBondContact O-N 2.96Å; L66-S68 VanDerWaalsContact O-N 3.1Å; S68-S70 PolarHBondContact O-N 2.91Å | ||
| 69 | R | 42.9 | Very low | 49.7 | Very low | 173 Ų | 173 | 118.1 Ų | 118.1 | 65% | 0.653 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -68.9 | 22.4 | 170.2 | -83.1 | -169.1 | 168.1 | 178.2 | -1.2 | 111.7 | P67 N71 E72 | P67-R69 HydrophobicContact CB-CG 4.21Å; P67-R69 HydrophobicContact CG-CG 4.33Å; P67-R69 PolarHBondContact O-N 3.1Å; R69-N71 PolarHBondContact O-N 2.8Å; R69-N71 VanDerWaalsContact O-N 3.1Å; R69-E72 IonicContact CZ-OE2 3.87Å; R69-E72 IonicContact NE-OE2 2.78Å; R69-E72 PolarHBondContact NE-OE2 2.75Å; R69-E72 PolarHBondContact O-N 3.01Å |
| 70 | S | 46.6 | Very low | 47.6 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -63.1 | -14.5 | 174.7 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | S68 | S68-S70 PolarHBondContact O-N 2.91Š|
| 71 | N | 35.5 | Very low | 45.6 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -109.1 | -7 | -180 | -71.9 | -8.6 | 0 | 0 | 0 | 115.4 | R69 A73 | R69-N71 PolarHBondContact O-N 2.8Å; R69-N71 VanDerWaalsContact O-N 3.1Å; N71-A73 PolarHBondContact O-N 2.89Å; N71-A73 VanDerWaalsContact O-N 3.07Å |
| 72 | E | 34 | Very low | 43.4 | Very low | 124 Ų | 124 | 121 Ų | 121 | 58% | 0.579 | 68% | 0.676 | S | S | * | * | trans | -82.6 | 86 | 162 | -89.2 | -178 | 157.4 | 0 | 0 | 106.9 | R69 V74 | R69-E72 IonicContact CZ-OE2 3.87Å; R69-E72 IonicContact NE-OE2 2.78Å; R69-E72 PolarHBondContact NE-OE2 2.75Å; R69-E72 PolarHBondContact O-N 3.01Å; E72-V74 HydrophobicContact CB-CG2 4.47Å; E72-V74 PolarHBondContact O-N 2.78Å | ||
| 73 | A | 33.8 | Very low | 41.7 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 72% | 0.719 | 67% | 0.673 | S | S | * | * | trans | -56.5 | 85.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | N71 T75 | N71-A73 PolarHBondContact O-N 2.89Å; N71-A73 VanDerWaalsContact O-N 3.07Å; A73-T75 PolarHBondContact O-N 2.78Å | ||
| 74 | V | 30.9 | Very low | 40.3 | Very low | 99 Ų | 99 | 123 Ų | 123 | 60% | 0.6 | 68% | 0.681 | S | S | * | * | trans | -60 | 92 | 162.6 | 179.9 | 0 | 0 | 0 | 0 | 103.2 | E72 L76 | E72-V74 HydrophobicContact CB-CG2 4.47Å; E72-V74 PolarHBondContact O-N 2.78Å; V74-L76 HydrophobicContact CG1-CD2 3.96Å; V74-L76 HydrophobicContact CG1-CG 4.09Å; V74-L76 PolarHBondContact O-N 3.11Å | ||
| 75 | T | 28.4 | Very low | 38.7 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | -59.1 | 94 | 162.2 | 42.7 | 0 | 0 | 0 | 0 | 104 | A73 S77 | A73-T75 PolarHBondContact O-N 2.78Å; T75-S77 PolarHBondContact O-N 2.89Å | ||
| 76 | L | 33 | Very low | 37.4 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | trans | -66.5 | 67.3 | 168 | -71.3 | 165.6 | 0 | 0 | 0 | 106.8 | V74 H78 | V74-L76 HydrophobicContact CG1-CD2 3.96Å; V74-L76 HydrophobicContact CG1-CG 4.09Å; V74-L76 PolarHBondContact O-N 3.11Å; L76-H78 PolarHBondContact O-N 3.02Å | ||
| 77 | S | 32.6 | Very low | 36.7 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | trans | -83.7 | 13.4 | 169.3 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | T75 P79 | T75-S77 PolarHBondContact O-N 2.89Å; S77-P79 WeakPolarHBondContact O-CD 3.31Å | ||
| 78 | H | 24.1 | Very low | 36 | Very low | 158 Ų | 158 | 117 Ų | 117 | 73% | 0.731 | 64% | 0.641 | S | S | * | * | trans | -95.5 | 103.4 | 162.2 | -88.7 | -54.4 | 0 | 0 | 0 | 109 | L76 E80 | L76-H78 PolarHBondContact O-N 3.02Å; H78-E80 PolarHBondContact O-N 3.23Å | ||
| 79 | P | 33 | Very low | 35.4 | Very low | 124 Ų | 124 | 114.3 Ų | 114.3 | 81% | 0.805 | 62% | 0.618 | S | S | * | * | trans | -72 | 1 | 176.9 | 28.9 | -34.2 | 0 | 0 | 0 | 113.5 | S77 | S77-P79 WeakPolarHBondContact O-CD 3.31Š| ||
| 80 | E | 33 | Very low | 35.4 | Very low | 159 Ų | 159 | 112.6 Ų | 112.6 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -99.7 | 114.4 | 179.9 | -67.2 | -174.1 | 172.9 | 0 | 0 | 109.7 | H78 | H78-E80 PolarHBondContact O-N 3.23Š|
| 81 | I | 37.7 | Very low | 35 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 67% | 0.672 | 63% | 0.628 | S | S | * | * | trans | 80.9 | 79 | 170.8 | -42.7 | 153 | 0 | 0 | 0 | 112.9 | P83 | I81-P83 WeakPolarHBondContact O-CD 3.19Å; I81-P83 VanDerWaalsContact O-N 3.09Å | ||
| 82 | C | 32.9 | Very low | 35.2 | Very low | 93 Ų | 93 | 112.3 Ų | 112.3 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | trans | -59.3 | 107 | 152.3 | -81 | 0 | 0 | 0 | 0 | 107.6 | W84 K85 | C82-W84 PolarHBondContact O-N 3Å; C82-W84 VanDerWaalsContact O-N 3.11Å; C82-K85 HydrophobicContact CB-CB 4.06Å; C82-K85 WeakPolarHBondContact O-CB 3.32Å; C82-K85 PolarHBondContact O-N 3.05Å | ||
| 83 | P | 37.7 | Very low | 35.5 | Very low | 74 Ų | 74 | 111.1 Ų | 111.1 | 48% | 0.481 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.3 | -28.6 | -174.3 | -19.6 | 32.2 | 0 | 0 | 0 | 111.2 | I81 K85 T86 T87 | I81-P83 WeakPolarHBondContact O-CD 3.19Å; I81-P83 VanDerWaalsContact O-N 3.09Å; P83-K85 VanDerWaalsContact C-N 3.29Å; P83-K85 PolarHBondContact O-N 3.33Å; P83-T86 PolarHBondContact O-N 2.78Å; P83-T86 PolarHBondContact O-OG1 3.45Å; P83-T87 WeakPolarHBondContact O-CB 3.37Å; P83-T87 PolarHBondContact O-N 3.07Å; P83-T87 PolarHBondContact O-OG1 3.45Å |
| 84 | W | 36 | Very low | 35.9 | Very low | 205 Ų | 205 | 111.8 Ų | 111.8 | 78% | 0.777 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68 | -33.4 | -178.6 | -61.1 | 60.2 | 0 | 0 | 0 | 111.5 | C82 T87 I88 | C82-W84 PolarHBondContact O-N 3Å; C82-W84 VanDerWaalsContact O-N 3.11Å; W84-T87 PolarHBondContact O-N 3.27Å; W84-I88 WeakPolarHBondContact O-CB 3.44Å; W84-I88 WeakPolarHBondContact O-CD1 3.48Å; W84-I88 WeakPolarHBondContact O-CG1 3.48Å; W84-I88 PolarHBondContact O-N 3.31Å |
| 85 | K | 36.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 111.2 Ų | 111.2 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.3 | -52.4 | 177.1 | -160 | 174.3 | -177 | 179.7 | 0 | 109.7 | C82 P83 T87 I88 D89 | C82-K85 HydrophobicContact CB-CB 4.06Å; C82-K85 WeakPolarHBondContact O-CB 3.32Å; C82-K85 PolarHBondContact O-N 3.05Å; P83-K85 VanDerWaalsContact C-N 3.29Å; P83-K85 PolarHBondContact O-N 3.33Å; K85-T87 VanDerWaalsContact C-N 3.32Å; K85-T87 PolarHBondContact O-N 3Å; K85-I88 PolarHBondContact O-N 3.15Å; K85-D89 WeakPolarHBondContact O-CB 3.32Å; K85-D89 PolarHBondContact O-N 3.4Å; K85-D89 VanDerWaalsContact O-OD2 3.06Å |
| 86 | T | 39.7 | Very low | 36.7 | Very low | 64 Ų | 64 | 110.5 Ų | 110.5 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -34.4 | 175.6 | 38.3 | 0 | 0 | 0 | 0 | 113.6 | P83 D89 N90 | P83-T86 PolarHBondContact O-N 2.78Å; P83-T86 PolarHBondContact O-OG1 3.45Å; T86-D89 PolarHBondContact O-N 3.12Å; T86-N90 WeakPolarHBondContact O-CB 3.42Å; T86-N90 PolarHBondContact O-N 3.16Å |
| 87 | T | 40.4 | Very low | 37.2 | Very low | 69 Ų | 69 | 108.9 Ų | 108.9 | 42% | 0.423 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.4 | -41.8 | 178.5 | -47.4 | 0 | 0 | 0 | 0 | 111.2 | P83 W84 K85 N90 W91 | P83-T87 WeakPolarHBondContact O-CB 3.37Å; P83-T87 PolarHBondContact O-N 3.07Å; P83-T87 PolarHBondContact O-OG1 3.45Å; W84-T87 PolarHBondContact O-N 3.27Å; K85-T87 VanDerWaalsContact C-N 3.32Å; K85-T87 PolarHBondContact O-N 3Å; T87-N90 PolarHBondContact O-N 2.82Å; T87-W91 WeakPolarHBondContact O-CB 3.3Å; T87-W91 VanDerWaalsContact O-CD1 3.25Å; T87-W91 PolarHBondContact O-N 3.45Å |
| 88 | I | 38 | Very low | 37.5 | Very low | 58 Ų | 58 | 110 Ų | 110 | 30% | 0.297 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68 | -41.8 | 174.9 | -67.5 | 167.5 | 0 | 0 | 0 | 110.5 | W84 K85 N90 W91 A92 L99 F101 | W84-I88 WeakPolarHBondContact O-CB 3.44Å; W84-I88 WeakPolarHBondContact O-CD1 3.48Å; W84-I88 WeakPolarHBondContact O-CG1 3.48Å; W84-I88 PolarHBondContact O-N 3.31Å; K85-I88 PolarHBondContact O-N 3.15Å; I88-N90 PolarHBondContact O-N 3.03Å; I88-W91 PolarHBondContact O-N 3.44Å; I88-A92 PolarHBondContact O-N 3.35Å; I88-A92 VanDerWaalsContact O-N 3.1Å; I88-L99 HydrophobicContact CG2-CD1 3.93Å; I88-F101 HydrophobicContact CD1-CZ 4.31Å |
| 89 | D | 37.2 | Very low | 38.1 | Very low | 56 Ų | 56 | 105.6 Ų | 105.6 | 30% | 0.299 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -56.3 | -38.6 | 176.3 | -67.8 | -25.8 | 0 | 0 | 0 | 111.2 | K85 T86 F96 | K85-D89 WeakPolarHBondContact O-CB 3.32Å; K85-D89 PolarHBondContact O-N 3.4Å; K85-D89 VanDerWaalsContact O-OD2 3.06Å; T86-D89 PolarHBondContact O-N 3.12Å; D89-F96 WeakPolarHBondContact OD1-CE2 3.29Å |
| 90 | N | 41.9 | Very low | 38.3 | Very low | 136 Ų | 136 | 105.5 Ų | 105.5 | 73% | 0.727 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -79.7 | -32.4 | 178.7 | -75.6 | -15.2 | 0 | 0 | 0 | 114 | T86 T87 I88 | T86-N90 WeakPolarHBondContact O-CB 3.42Å; T86-N90 PolarHBondContact O-N 3.16Å; T87-N90 PolarHBondContact O-N 2.82Å; I88-N90 PolarHBondContact O-N 3.03Å |
| 91 | W | 38.2 | Very low | 38.5 | Very low | 225 Ų | 225 | 101.6 Ų | 101.6 | 85% | 0.852 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -81.1 | -32.8 | -174.6 | -87.2 | 49 | 0 | 0 | 0 | 113.3 | T87 I88 | T87-W91 WeakPolarHBondContact O-CB 3.3Å; T87-W91 VanDerWaalsContact O-CD1 3.25Å; T87-W91 PolarHBondContact O-N 3.45Å; I88-W91 PolarHBondContact O-N 3.44Å |
| 92 | A | 39 | Very low | 38.4 | Very low | 21 Ų | 21 | 99.4 Ų | 99.4 | 17% | 0.174 | 53% | 0.527 | C | S | . | . | trans | -156.5 | 78.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I88 S94 M95 | I88-A92 PolarHBondContact O-N 3.35Å; I88-A92 VanDerWaalsContact O-N 3.1Å; A92-S94 PolarHBondContact O-N 3.08Å; A92-M95 HydrophobicContact CB-CB 4.07Å; A92-M95 HydrophobicContact CB-CE 3.87Å; A92-M95 HydrophobicContact CB-CG 3.83Å; A92-M95 HydrophobicContact CB-SD 4.47Å; A92-M95 PolarHBondContact O-N 3.44Å | ||
| 93 | P | 40.6 | Very low | 38.5 | Very low | 99 Ų | 99 | 102.1 Ų | 102.1 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -53.2 | -30.5 | 174.9 | -22.4 | 30 | 0 | 0 | 0 | 112.8 | M95 | P93-M95 VanDerWaalsContact C-N 3.33Å; P93-M95 PolarHBondContact O-N 3.23Å |
| 94 | S | 43.3 | Very low | 38 | Very low | 101 Ų | 101 | 109.2 Ų | 109.2 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -74.5 | -14.9 | -179.8 | 58.5 | 0 | 0 | 0 | 0 | 114.8 | A92 F96 P97 | A92-S94 PolarHBondContact O-N 3.08Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-P97 WeakPolarHBondContact O-CD 3.42Å |
| 95 | M | 35.2 | Very low | 37.8 | Very low | 87 Ų | 87 | 106.7 Ų | 106.7 | 43% | 0.429 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -86.7 | -4.6 | 177.3 | -71 | -153.5 | -50.1 | 0 | 0 | 113.3 | A92 P93 L98 L99 | A92-M95 HydrophobicContact CB-CB 4.07Å; A92-M95 HydrophobicContact CB-CE 3.87Å; A92-M95 HydrophobicContact CB-CG 3.83Å; A92-M95 HydrophobicContact CB-SD 4.47Å; A92-M95 PolarHBondContact O-N 3.44Å; P93-M95 VanDerWaalsContact C-N 3.33Å; P93-M95 PolarHBondContact O-N 3.23Å; M95-L98 HydrophobicContact CG-CD1 4.46Å; M95-L98 WeakPolarHBondContact O-CA 3.3Å; M95-L98 WeakPolarHBondContact O-CB 3.36Å; M95-L98 PolarHBondContact O-N 3.43Å; M95-L99 HydrophobicContact CB-CD1 4.48Å; M95-L99 PolarHBondContact O-N 3.44Å; M95-L99 VanDerWaalsContact O-N 3.11Å |
| 96 | F | 40.6 | Very low | 37.4 | Very low | 100 Ų | 100 | 108 Ų | 108 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -39.8 | -178.5 | -150.5 | -88 | 0 | 0 | 0 | 114.2 | D89 S94 L98 L99 F101 | D89-F96 WeakPolarHBondContact OD1-CE2 3.29Å; S94-F96 VanDerWaalsContact C-N 3.34Å; F96-L98 PolarHBondContact O-N 3.25Å; F96-L99 PolarHBondContact O-N 3.45Å; F96-F101 HydrophobicContact CE2-CD2 4.41Å; F96-F101 HydrophobicContact CZ-CD2 4.47Å |
| 97 | P | 42.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 110.3 Ų | 110.3 | 76% | 0.76 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -20.2 | 174.5 | -18.5 | 31.7 | 0 | 0 | 0 | 113.6 | S94 | S94-P97 WeakPolarHBondContact O-CD 3.42Š|
| 98 | L | 39.5 | Very low | 35.8 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -28.9 | -179.8 | -64.2 | 169.6 | 0 | 0 | 0 | 112 | M95 F96 D100 | M95-L98 HydrophobicContact CG-CD1 4.46Å; M95-L98 WeakPolarHBondContact O-CA 3.3Å; M95-L98 WeakPolarHBondContact O-CB 3.36Å; M95-L98 PolarHBondContact O-N 3.43Å; F96-L98 PolarHBondContact O-N 3.25Å; L98-D100 PolarHBondContact O-N 2.8Å |
| 99 | L | 36.5 | Very low | 35.2 | Very low | 65 Ų | 65 | 121 Ų | 121 | 34% | 0.34 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -97.3 | 88.6 | 179 | -64.7 | 169.1 | 0 | 0 | 0 | 108.7 | I88 M95 F96 F101 | I88-L99 HydrophobicContact CG2-CD1 3.93Å; M95-L99 HydrophobicContact CB-CD1 4.48Å; M95-L99 PolarHBondContact O-N 3.44Å; M95-L99 VanDerWaalsContact O-N 3.11Å; F96-L99 PolarHBondContact O-N 3.45Å; L99-F101 VanDerWaalsContact C-N 3.27Å; L99-F101 HydrophobicContact CB-CD2 3.93Å; L99-F101 HydrophobicContact CB-CE2 3.37Å; L99-F101 HydrophobicContact CB-CZ 3.73Å; L99-F101 HydrophobicContact CD1-CE2 4Å; L99-F101 HydrophobicContact CD1-CZ 3.9Å; L99-F101 HydrophobicContact CG-CE2 4.29Å; L99-F101 HydrophobicContact CG-CZ 4.31Å; L99-F101 VanDerWaalsContact O-CD2 3.22Å; L99-F101 WeakPolarHBondContact O-CD2 3.42Å; L99-F101 PolarHBondContact O-N 3.27Å |
| 100 | D | 38 | Very low | 34.6 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 65% | 0.652 | 64% | 0.644 | S | S | * | * | trans | -70.8 | 84.5 | 174.8 | -167.7 | 3.6 | 0 | 0 | 0 | 110.6 | L98 S102 | L98-D100 PolarHBondContact O-N 2.8Å; D100-S102 VanDerWaalsContact CG-OG 3.23Å; D100-S102 PolarHBondContact O-N 3.38Å; D100-S102 WeakPolarHBondContact OD1-CB 3.47Å; D100-S102 PolarHBondContact OD1-N 3.39Å; D100-S102 PolarHBondContact OD1-OG 2.98Å; D100-S102 PolarHBondContact OD2-OG 2.95Å | ||
| 101 | F | 36.9 | Very low | 33.8 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 33% | 0.333 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | 12.1 | 171.7 | -60.8 | -73.3 | 0 | 0 | 0 | 112.5 | I88 F96 L99 Q103 F105 | I88-F101 HydrophobicContact CD1-CZ 4.31Å; F96-F101 HydrophobicContact CE2-CD2 4.41Å; F96-F101 HydrophobicContact CZ-CD2 4.47Å; L99-F101 VanDerWaalsContact C-N 3.27Å; L99-F101 HydrophobicContact CB-CD2 3.93Å; L99-F101 HydrophobicContact CB-CE2 3.37Å; L99-F101 HydrophobicContact CB-CZ 3.73Å; L99-F101 HydrophobicContact CD1-CE2 4Å; L99-F101 HydrophobicContact CD1-CZ 3.9Å; L99-F101 HydrophobicContact CG-CE2 4.29Å; L99-F101 HydrophobicContact CG-CZ 4.31Å; L99-F101 VanDerWaalsContact O-CD2 3.22Å; L99-F101 WeakPolarHBondContact O-CD2 3.42Å; L99-F101 PolarHBondContact O-N 3.27Å; F101-Q103 PolarHBondContact O-N 3Å; F101-F105 HydrophobicContact CD1-CE2 4.35Å |
| 102 | S | 35.5 | Very low | 33.2 | Very low | 85 Ų | 85 | 124 Ų | 124 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -18.4 | 176.8 | 73.7 | 0 | 0 | 0 | 0 | 113 | D100 R104 | D100-S102 VanDerWaalsContact CG-OG 3.23Å; D100-S102 PolarHBondContact O-N 3.38Å; D100-S102 WeakPolarHBondContact OD1-CB 3.47Å; D100-S102 PolarHBondContact OD1-N 3.39Å; D100-S102 PolarHBondContact OD1-OG 2.98Å; D100-S102 PolarHBondContact OD2-OG 2.95Å; S102-R104 VanDerWaalsContact C-N 3.34Å; S102-R104 PolarHBondContact O-N 3.39Å |
| 103 | Q | 34.8 | Very low | 32.5 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -65.9 | 100 | 160.1 | -83.3 | -176 | 7.6 | 0 | 0 | 108.2 | F101 F105 | F101-Q103 PolarHBondContact O-N 3Å; Q103-F105 WeakPolarHBondContact O-CD2 3.49Å; Q103-F105 PolarHBondContact O-N 2.7Å |
| 104 | R | 27.6 | Very low | 31.9 | Very low | 223 Ų | 223 | 132 Ų | 132 | 84% | 0.842 | 68% | 0.682 | S | S | * | * | trans | -51.1 | 106.4 | 164.1 | -69.4 | -176.9 | 178.1 | -179.2 | -1 | 106.7 | S102 D106 | S102-R104 VanDerWaalsContact C-N 3.34Å; S102-R104 PolarHBondContact O-N 3.39Å; R104-D106 VanDerWaalsContact C-N 3.28Å; R104-D106 PolarHBondContact O-N 3.44Å | ||
| 105 | F | 32.3 | Very low | 31.1 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | trans | -63 | 100.9 | 165.4 | -73.6 | -88.7 | 0 | 0 | 0 | 105.7 | F101 Q103 C107 | F101-F105 HydrophobicContact CD1-CE2 4.35Å; Q103-F105 WeakPolarHBondContact O-CD2 3.49Å; Q103-F105 PolarHBondContact O-N 2.7Å; F105-C107 PolarHBondContact O-N 3.03Å; F105-C107 PolarHBondContact O-SG 3.46Å | ||
| 106 | D | 27 | Very low | 30.5 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | -67.3 | 70.9 | 170.5 | -85.7 | -27.1 | 0 | 0 | 0 | 108.2 | R104 C108 | R104-D106 VanDerWaalsContact C-N 3.28Å; R104-D106 PolarHBondContact O-N 3.44Å; D106-C108 PolarHBondContact O-N 3.32Å; D106-C108 VanDerWaalsContact O-N 3.08Å | ||
| 107 | C | 24.7 | Very low | 29.8 | Very low | 112 Ų | 112 | 141 Ų | 141 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -2.9 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | F105 | F105-C107 PolarHBondContact O-N 3.03Å; F105-C107 PolarHBondContact O-SG 3.46Å |
| 108 | C | 23.2 | Very low | 28.9 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 36.9 | -172.5 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | D106 Q110 | D106-C108 PolarHBondContact O-N 3.32Å; D106-C108 VanDerWaalsContact O-N 3.08Å; C108-Q110 VanDerWaalsContact C-N 3.34Å; C108-Q110 PolarHBondContact O-N 3.03Å; C108-Q110 VanDerWaalsContact O-N 3.16Å |
| 109 | R | 24.6 | Very low | 28.1 | Very low | 231 Ų | 231 | 138.9 Ų | 138.9 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -85.8 | 86.5 | 163.2 | -116.1 | -175.7 | -175.6 | -169.6 | 2.9 | 110.9 | ||||
| 110 | Q | 23.6 | Very low | 27.6 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | -35.7 | 128.6 | 163 | -148.4 | 165.9 | 24.2 | 0 | 0 | 112 | C108 S112 | C108-Q110 VanDerWaalsContact C-N 3.34Å; C108-Q110 PolarHBondContact O-N 3.03Å; C108-Q110 VanDerWaalsContact O-N 3.16Å; Q110-S112 PolarHBondContact O-N 2.96Å | ||
| 111 | K | 25.3 | Very low | 26.9 | Very low | 206 Ų | 206 | 144.2 Ų | 144.2 | 90% | 0.896 | 75% | 0.749 | S | S | * | * | trans | -17.7 | 89.8 | 169.5 | -64.1 | 173.7 | 178.3 | 177.2 | 0 | 114.6 | ||||
| 112 | S | 26.3 | Very low | 26.3 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -104.2 | 93.5 | 156.1 | 62.5 | 0 | 0 | 0 | 0 | 107.8 | Q110 L114 | Q110-S112 PolarHBondContact O-N 2.96Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 3.36Å | ||
| 113 | T | 24.1 | Very low | 26.1 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -57.1 | 94.8 | 160.6 | 40.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 114 | L | 27.3 | Very low | 26 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -148.8 | 122.6 | 160 | -111.8 | 117.9 | 0 | 0 | 0 | 110.1 | S112 G116 | S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 3.36Å; L114-G116 PolarHBondContact O-N 3.49Å; L114-G116 VanDerWaalsContact O-N 3.11Å | ||
| 115 | K | 26.4 | Very low | 26.3 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | trans | -34.2 | 110.5 | 164.1 | -71.9 | 169.6 | 170.8 | 178 | 0 | 110.9 | ||||
| 116 | G | 24.4 | Very low | 26.2 | Very low | 56 Ų | 56 | 146.1 Ų | 146.1 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | trans | -165.4 | 109.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | L114 S118 | L114-G116 PolarHBondContact O-N 3.49Å; L114-G116 VanDerWaalsContact O-N 3.11Å; G116-S118 PolarHBondContact O-N 2.86Å; G116-S118 PolarHBondContact O-OG 2.72Å | ||
| 117 | E | 24.7 | Very low | 26.7 | Very low | 206 Ų | 206 | 147 Ų | 147 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | trans | -58.6 | 78.5 | 172.8 | -67 | 171.7 | 150.6 | 0 | 0 | 109 | S119 | E117-S119 PolarHBondContact O-N 3.22Š| ||
| 118 | S | 25 | Very low | 27.1 | Very low | 84 Ų | 84 | 146.1 Ų | 146.1 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | trans | -88.3 | 76.6 | 167.8 | 46.4 | 0 | 0 | 0 | 0 | 106.4 | G116 Y120 | G116-S118 PolarHBondContact O-N 2.86Å; G116-S118 PolarHBondContact O-OG 2.72Å; S118-Y120 VanDerWaalsContact C-N 3.31Å; S118-Y120 WeakPolarHBondContact O-CD2 3.39Å; S118-Y120 PolarHBondContact O-N 3.25Å | ||
| 119 | S | 22.7 | Very low | 27.5 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -58.5 | 107.6 | 153.4 | 57.2 | 0 | 0 | 0 | 0 | 105.5 | E117 A121 | E117-S119 PolarHBondContact O-N 3.22Å; S119-A121 PolarHBondContact O-N 2.91Å | ||
| 120 | Y | 25.1 | Very low | 28 | Very low | 213 Ų | 213 | 140.6 Ų | 140.6 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -58.4 | 94.5 | 169.4 | -72.5 | -95.5 | 0 | 0 | 0 | 107.2 | S118 L122 | S118-Y120 VanDerWaalsContact C-N 3.31Å; S118-Y120 WeakPolarHBondContact O-CD2 3.39Å; S118-Y120 PolarHBondContact O-N 3.25Å; Y120-L122 PolarHBondContact O-N 3.41Å | ||
| 121 | A | 23.7 | Very low | 28.8 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | trans | -69.9 | 94.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 104.6 | S119 P123 | S119-A121 PolarHBondContact O-N 2.91Å; A121-P123 VanDerWaalsContact O-N 3.13Å | ||
| 122 | L | 24.3 | Very low | 29.3 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | trans | -45.7 | 123.6 | 156.3 | -86.6 | 156.3 | 0 | 0 | 0 | 105.4 | Y120 V124 | Y120-L122 PolarHBondContact O-N 3.41Å; L122-V124 PolarHBondContact O-N 2.97Å | ||
| 123 | P | 30.1 | Very low | 29.7 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | trans | -54.6 | 113.2 | 173.4 | 21.7 | -29.6 | 0 | 0 | 0 | 105.3 | A121 E125 | A121-P123 VanDerWaalsContact O-N 3.13Å; P123-E125 PolarHBondContact O-N 3.44Å | ||
| 124 | V | 33.7 | Very low | 30.4 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 79% | 0.788 | 69% | 0.688 | S | S | * | * | trans | -71.5 | 66.4 | 167.2 | -173.5 | 0 | 0 | 0 | 0 | 104.5 | L122 E126 | L122-V124 PolarHBondContact O-N 2.97Å; V124-E126 HydrophobicContact CG1-CG 4.21Å; V124-E126 PolarHBondContact O-N 2.84Å | ||
| 125 | E | 34.3 | Very low | 31 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 80% | 0.799 | 69% | 0.689 | S | S | * | * | trans | -62.6 | 95.9 | 148.9 | -78.3 | -166.8 | 155.4 | 0 | 0 | 103 | P123 F127 | P123-E125 PolarHBondContact O-N 3.44Å; E125-F127 VanDerWaalsContact C-N 3.29Å; E125-F127 PolarHBondContact O-N 2.97Å | ||
| 126 | E | 30.4 | Very low | 31.3 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | trans | -46.2 | 108.2 | 159.8 | -82.1 | 178.1 | 153.5 | 0 | 0 | 105.2 | V124 D128 | V124-E126 HydrophobicContact CG1-CG 4.21Å; V124-E126 PolarHBondContact O-N 2.84Å; E126-D128 PolarHBondContact O-N 3.02Å | ||
| 127 | F | 37.1 | Very low | 31.7 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | trans | -64.4 | 89.2 | 177 | -176.5 | -93.1 | 0 | 0 | 0 | 106.1 | E125 L129 A132 | E125-F127 VanDerWaalsContact C-N 3.29Å; E125-F127 PolarHBondContact O-N 2.97Å; F127-L129 VanDerWaalsContact C-N 3.29Å; F127-L129 HydrophobicContact CD1-CG 4.06Å; F127-L129 HydrophobicContact CE1-CD2 4.1Å; F127-L129 HydrophobicContact CE1-CG 3.96Å; F127-L129 PolarHBondContact O-N 3.27Å; F127-A132 HydrophobicContact CE1-CB 4.25Å; F127-A132 HydrophobicContact CE2-CB 4.49Å; F127-A132 HydrophobicContact CZ-CB 3.88Å | ||
| 128 | D | 32.5 | Very low | 32 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | trans | -74.9 | 92 | -178.7 | -167.3 | -4.8 | 0 | 0 | 0 | 106.6 | E126 Q130 K131 A132 | E126-D128 PolarHBondContact O-N 3.02Å; D128-Q130 PolarHBondContact O-N 2.82Å; D128-K131 HydrophobicContact CB-CB 4.16Å; D128-K131 WeakPolarHBondContact O-CA 3.49Å; D128-K131 WeakPolarHBondContact O-CB 3.49Å; D128-K131 PolarHBondContact O-N 3.14Å; D128-A132 PolarHBondContact O-N 3.23Å; D128-A132 VanDerWaalsContact O-N 3.14Å | ||
| 129 | L | 32.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 60% | 0.597 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -47.4 | -33 | -179.7 | -101.5 | 155.3 | 0 | 0 | 0 | 111.7 | F127 A132 L133 | F127-L129 VanDerWaalsContact C-N 3.29Å; F127-L129 HydrophobicContact CD1-CG 4.06Å; F127-L129 HydrophobicContact CE1-CD2 4.1Å; F127-L129 HydrophobicContact CE1-CG 3.96Å; F127-L129 PolarHBondContact O-N 3.27Å; L129-A132 PolarHBondContact O-N 2.84Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 WeakPolarHBondContact O-CG 3.25Å; L129-L133 PolarHBondContact O-N 3.27Å |
| 130 | Q | 34.4 | Very low | 32.6 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.1 | -44.7 | 177.7 | -154.2 | 69.8 | 35.1 | 0 | 0 | 111.4 | D128 A132 L133 D134 | D128-Q130 PolarHBondContact O-N 2.82Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-A132 PolarHBondContact O-N 2.98Å; Q130-L133 PolarHBondContact O-N 3.2Å; Q130-D134 WeakPolarHBondContact O-CB 3.45Å; Q130-D134 VanDerWaalsContact O-CG 3.29Å; Q130-D134 PolarHBondContact O-N 3.28Å |
| 131 | K | 40.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 123.5 Ų | 123.5 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65.7 | -36.5 | 176.6 | -124.3 | 178.7 | -173.5 | 176 | 0 | 112.4 | D128 R135 | D128-K131 HydrophobicContact CB-CB 4.16Å; D128-K131 WeakPolarHBondContact O-CA 3.49Å; D128-K131 WeakPolarHBondContact O-CB 3.49Å; D128-K131 PolarHBondContact O-N 3.14Å; K131-R135 WeakPolarHBondContact O-CB 3.41Å; K131-R135 PolarHBondContact O-N 3.15Å |
| 132 | A | 35.5 | Very low | 32.8 | Very low | 28 Ų | 28 | 127.2 Ų | 127.2 | 23% | 0.231 | 66% | 0.66 | C | S | . | * | H | α-helix | trans | -69.6 | -35.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F127 D128 L129 Q130 N136 | F127-A132 HydrophobicContact CE1-CB 4.25Å; F127-A132 HydrophobicContact CE2-CB 4.49Å; F127-A132 HydrophobicContact CZ-CB 3.88Å; D128-A132 PolarHBondContact O-N 3.23Å; D128-A132 VanDerWaalsContact O-N 3.14Å; L129-A132 PolarHBondContact O-N 2.84Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-A132 PolarHBondContact O-N 2.98Å; A132-N136 WeakPolarHBondContact O-CB 3.47Å; A132-N136 PolarHBondContact O-N 2.8Å; A132-N136 VanDerWaalsContact O-N 3.12Å; A132-N136 PolarHBondContact O-ND2 3.41Å |
| 133 | L | 35.3 | Very low | 32.8 | Very low | 108 Ų | 108 | 126 Ų | 126 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.1 | -41.5 | 173.2 | -80.8 | 161.6 | 0 | 0 | 0 | 111.7 | L129 Q130 N136 | L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 WeakPolarHBondContact O-CG 3.25Å; L129-L133 PolarHBondContact O-N 3.27Å; Q130-L133 PolarHBondContact O-N 3.2Å; L133-N136 CarbonylContact O-C 3.2Å; L133-N136 WeakPolarHBondContact O-CA 3.4Å; L133-N136 PolarHBondContact O-N 2.77Å |
| 134 | D | 38.5 | Very low | 32.5 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 62% | 0.615 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67 | -37.2 | 178.3 | -71.8 | -16.7 | 0 | 0 | 0 | 112 | Q130 N136 S137 | Q130-D134 WeakPolarHBondContact O-CB 3.45Å; Q130-D134 VanDerWaalsContact O-CG 3.29Å; Q130-D134 PolarHBondContact O-N 3.28Å; D134-N136 VanDerWaalsContact C-N 3.33Å; D134-S137 PolarHBondContact O-N 2.81Å |
| 135 | R | 39.2 | Very low | 32 | Very low | 223 Ų | 223 | 123.4 Ų | 123.4 | 84% | 0.842 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.4 | -30.9 | 172.1 | -86.1 | -168.4 | 169.9 | -179.4 | -1.2 | 112.8 | K131 S137 | K131-R135 WeakPolarHBondContact O-CB 3.41Å; K131-R135 PolarHBondContact O-N 3.15Å; R135-S137 PolarHBondContact O-N 3.26Å; R135-S137 VanDerWaalsContact O-N 3.09Å |
| 136 | N | 33.2 | Very low | 31.8 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 47% | 0.465 | 65% | 0.651 | S | S | . | * | trans | -84.7 | 55.2 | 169.6 | -74.6 | -50.5 | 0 | 0 | 0 | 110.3 | A132 L133 D134 L138 | A132-N136 WeakPolarHBondContact O-CB 3.47Å; A132-N136 PolarHBondContact O-N 2.8Å; A132-N136 VanDerWaalsContact O-N 3.12Å; A132-N136 PolarHBondContact O-ND2 3.41Å; L133-N136 CarbonylContact O-C 3.2Å; L133-N136 WeakPolarHBondContact O-CA 3.4Å; L133-N136 PolarHBondContact O-N 2.77Å; D134-N136 VanDerWaalsContact C-N 3.33Å; N136-L138 PolarHBondContact O-N 2.9Å | ||
| 137 | S | 32.9 | Very low | 31.6 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | trans | -69.4 | 55.9 | 157.2 | 72 | 0 | 0 | 0 | 0 | 109.2 | D134 R135 | D134-S137 PolarHBondContact O-N 2.81Å; R135-S137 PolarHBondContact O-N 3.26Å; R135-S137 VanDerWaalsContact O-N 3.09Å | ||
| 138 | L | 31.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | trans | -56.6 | 126.8 | 157.6 | -85.2 | 158.9 | 0 | 0 | 0 | 105 | N136 L140 | N136-L138 PolarHBondContact O-N 2.9Å; L138-L140 PolarHBondContact O-N 2.79Å | ||
| 139 | P | 31.6 | Very low | 31.1 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 66% | 0.661 | S | S | * | * | trans | -64.1 | 92.6 | 176.7 | 25.9 | -31.3 | 0 | 0 | 0 | 106.9 | S141 | P139-S141 PolarHBondContact O-N 2.82Š| ||
| 140 | L | 27.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 67% | 0.665 | 67% | 0.666 | S | S | * | * | trans | -66.9 | 80.1 | 164.7 | -71.2 | 170.3 | 0 | 0 | 0 | 105 | L138 K142 V144 | L138-L140 PolarHBondContact O-N 2.79Å; L140-K142 PolarHBondContact O-N 3.12Å; L140-V144 HydrophobicContact CD2-CG2 4.22Å | ||
| 141 | S | 28.3 | Very low | 31.1 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -60.5 | -5.6 | 179 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | P139 | P139-S141 PolarHBondContact O-N 2.82Š|
| 142 | K | 25.7 | Very low | 30.8 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -137.3 | 126.4 | 164.7 | -64.8 | 179.5 | -178.6 | 171.5 | 0 | 108.5 | L140 V144 | L140-K142 PolarHBondContact O-N 3.12Å; K142-V144 PolarHBondContact O-N 3.09Å; K142-V144 VanDerWaalsContact O-N 3.16Å |
| 143 | P | 23.7 | Very low | 30.8 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -56 | 124.3 | 170.3 | 22.7 | -30.8 | 0 | 0 | 0 | 108.1 | S145 | P143-S145 VanDerWaalsContact C-N 3.25Å; P143-S145 PolarHBondContact O-N 3.35Å | ||
| 144 | V | 24.9 | Very low | 30.8 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 56% | 0.564 | 71% | 0.707 | S | S | * | * | trans | -67.6 | 91 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | L140 K142 F146 | L140-V144 HydrophobicContact CD2-CG2 4.22Å; K142-V144 PolarHBondContact O-N 3.09Å; K142-V144 VanDerWaalsContact O-N 3.16Å; V144-F146 PolarHBondContact O-N 2.83Å | ||
| 145 | S | 23.3 | Very low | 30.4 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | trans | -68.1 | 114.5 | 169.4 | 58.4 | 0 | 0 | 0 | 0 | 107.7 | P143 V147 | P143-S145 VanDerWaalsContact C-N 3.25Å; P143-S145 PolarHBondContact O-N 3.35Å; S145-V147 PolarHBondContact O-N 3.42Å | ||
| 146 | F | 28.8 | Very low | 30 | Very low | 200 Ų | 200 | 130.9 Ų | 130.9 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -64.9 | 22.1 | 173.8 | -70.2 | -80.9 | 0 | 0 | 0 | 114.3 | V144 | V144-F146 PolarHBondContact O-N 2.83Š|
| 147 | V | 26.2 | Very low | 30 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | trans | -129.2 | 61.1 | -176.2 | -164.6 | 0 | 0 | 0 | 0 | 108.4 | S145 E149 | S145-V147 PolarHBondContact O-N 3.42Å; V147-E149 VanDerWaalsContact C-N 3.34Å | ||
| 148 | K | 28.6 | Very low | 29.9 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | -89.5 | 93.4 | 145.6 | -121.5 | 176.7 | -176.6 | 170.4 | 0 | 105 | K150 | K148-K150 PolarHBondContact O-N 2.96Š| ||
| 149 | E | 30.4 | Very low | 30 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 70% | 0.702 | S | S | * | * | trans | -57.9 | 77 | 163 | -169 | 172.9 | -156.5 | 0 | 0 | 107.3 | V147 | V147-E149 VanDerWaalsContact C-N 3.34Š| ||
| 150 | K | 32.4 | Very low | 30.3 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | trans | -106.2 | 112.4 | 173.3 | -93.9 | -168.5 | 169.9 | -168.1 | 0 | 106.2 | K148 N152 | K148-K150 PolarHBondContact O-N 2.96Å; K150-N152 PolarHBondContact O-N 2.75Å | ||
| 151 | S | 35.4 | Very low | 30.6 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -55.8 | 16 | -173.6 | 51.2 | 0 | 0 | 0 | 0 | 117.1 | K153 | S151-K153 PolarHBondContact O-N 3.2Š| ||
| 152 | N | 34.4 | Very low | 30.8 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | trans | -94.3 | 95.5 | 179.9 | -83.6 | -0.2 | 0 | 0 | 0 | 110.3 | K150 E154 D155 | K150-N152 PolarHBondContact O-N 2.75Å; N152-E154 PolarHBondContact O-N 3.32Å; N152-D155 PolarHBondContact O-N 3.04Å | ||
| 153 | K | 35.3 | Very low | 31.3 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -51.4 | -19.3 | 171.9 | -69.2 | 177.3 | 177.9 | 175.9 | 0 | 113.4 | S151 | S151-K153 PolarHBondContact O-N 3.2Å |
| 154 | E | 34.4 | Very low | 31.7 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 69% | 0.692 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.3 | -37.7 | 179.9 | -66 | -174 | 157.8 | 0 | 0 | 114.2 | N152 M156 V157 R158 | N152-E154 PolarHBondContact O-N 3.32Å; E154-M156 VanDerWaalsContact C-N 3.33Å; E154-M156 PolarHBondContact O-N 3.32Å; E154-V157 PolarHBondContact O-N 3.47Å; E154-R158 PolarHBondContact O-N 3.23Å |
| 155 | D | 30.9 | Very low | 32.2 | Very low | 89 Ų | 89 | 130 Ų | 130 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.1 | -30 | -176.5 | -77.9 | -26.3 | 0 | 0 | 0 | 112.1 | N152 V157 R158 L159 | N152-D155 PolarHBondContact O-N 3.04Å; D155-V157 VanDerWaalsContact C-N 3.27Å; D155-V157 PolarHBondContact O-N 2.79Å; D155-R158 PolarHBondContact O-N 3.43Å; D155-L159 PolarHBondContact O-N 3.45Å |
| 156 | M | 29.9 | Very low | 32.8 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 74% | 0.739 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.2 | -32.1 | 175.5 | -147.1 | -172.2 | 69.8 | 0 | 0 | 111.7 | E154 K160 | E154-M156 VanDerWaalsContact C-N 3.33Å; E154-M156 PolarHBondContact O-N 3.32Å; M156-K160 PolarHBondContact O-N 3.06Å |
| 157 | V | 34.2 | Very low | 33.1 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 61% | 0.606 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.9 | -39.5 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | E154 D155 K160 Y161 | E154-V157 PolarHBondContact O-N 3.47Å; D155-V157 VanDerWaalsContact C-N 3.27Å; D155-V157 PolarHBondContact O-N 2.79Å; V157-K160 PolarHBondContact O-N 3.26Å; V157-Y161 WeakPolarHBondContact O-CB 3.37Å; V157-Y161 PolarHBondContact O-N 3.23Å |
| 158 | R | 31 | Very low | 33.2 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 69% | 0.694 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.9 | -42.1 | 178.3 | -78.7 | -178.4 | 170.6 | 172.6 | -2.5 | 113 | E154 D155 Y161 L162 | E154-R158 PolarHBondContact O-N 3.23Å; D155-R158 PolarHBondContact O-N 3.43Å; R158-Y161 PolarHBondContact O-N 3.33Å; R158-L162 PolarHBondContact O-N 2.89Å |
| 159 | L | 32.4 | Very low | 33.2 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 65% | 0.649 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.8 | -41 | 179 | -90.9 | 153.8 | 0 | 0 | 0 | 112.5 | D155 Y161 L162 S163 | D155-L159 PolarHBondContact O-N 3.45Å; L159-Y161 VanDerWaalsContact C-N 3.28Å; L159-Y161 PolarHBondContact O-N 2.97Å; L159-L162 PolarHBondContact O-N 3.33Å; L159-S163 PolarHBondContact O-N 3.06Å |
| 160 | K | 37.7 | Very low | 33.2 | Very low | 143 Ų | 143 | 122.9 Ų | 122.9 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.4 | -37.4 | 175 | -168 | 169.8 | -177.7 | 175.5 | 0 | 111.8 | M156 V157 S163 D164 | M156-K160 PolarHBondContact O-N 3.06Å; V157-K160 PolarHBondContact O-N 3.26Å; K160-S163 PolarHBondContact O-N 3.27Å; K160-S163 PolarHBondContact O-OG 3.37Å; K160-D164 VanDerWaalsContact O-CG 3.28Å; K160-D164 PolarHBondContact O-N 3.3Å; K160-D164 VanDerWaalsContact O-N 3.09Å |
| 161 | Y | 34.1 | Very low | 33 | Very low | 162 Ų | 162 | 120 Ų | 120 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.8 | -38.2 | 175.7 | -152.5 | -101.5 | 0 | 0 | 0 | 112.4 | V157 R158 L159 D164 L165 | V157-Y161 WeakPolarHBondContact O-CB 3.37Å; V157-Y161 PolarHBondContact O-N 3.23Å; R158-Y161 PolarHBondContact O-N 3.33Å; L159-Y161 VanDerWaalsContact C-N 3.28Å; L159-Y161 PolarHBondContact O-N 2.97Å; Y161-D164 PolarHBondContact O-N 2.71Å; Y161-L165 HydrophobicContact CD1-CD1 3.5Å; Y161-L165 VanDerWaalsContact CD1-CD1 3.5Å; Y161-L165 HydrophobicContact CE1-CD1 3.53Å; Y161-L165 WeakPolarHBondContact O-CB 3.12Å; Y161-L165 PolarHBondContact O-N 2.94Å |
| 162 | L | 34.3 | Very low | 32.6 | Very low | 98 Ų | 98 | 122 Ų | 122 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.6 | -39.6 | 176.3 | -75.9 | 171 | 0 | 0 | 0 | 112.6 | R158 L159 D164 L165 F166 | R158-L162 PolarHBondContact O-N 2.89Å; L159-L162 PolarHBondContact O-N 3.33Å; L162-D164 VanDerWaalsContact C-N 3.31Å; L162-D164 PolarHBondContact O-N 3.37Å; L162-L165 PolarHBondContact O-N 2.82Å; L162-F166 WeakPolarHBondContact O-CD2 3.27Å; L162-F166 PolarHBondContact O-N 2.84Å |
| 163 | S | 34.6 | Very low | 32.3 | Very low | 58 Ų | 58 | 122.9 Ų | 122.9 | 41% | 0.406 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.8 | -40.6 | 174 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | L159 K160 F166 I167 | L159-S163 PolarHBondContact O-N 3.06Å; K160-S163 PolarHBondContact O-N 3.27Å; K160-S163 PolarHBondContact O-OG 3.37Å; S163-F166 PolarHBondContact O-N 3.37Å; S163-I167 WeakPolarHBondContact O-CG1 3.41Å; S163-I167 PolarHBondContact O-N 3.49Å; S163-I167 VanDerWaalsContact O-N 3.08Å |
| 164 | D | 33.7 | Very low | 31.8 | Very low | 82 Ų | 82 | 125 Ų | 125 | 44% | 0.439 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.3 | -36.6 | 178.4 | -68.2 | -13.1 | 0 | 0 | 0 | 111.6 | K160 Y161 L162 I167 F168 | K160-D164 VanDerWaalsContact O-CG 3.28Å; K160-D164 PolarHBondContact O-N 3.3Å; K160-D164 VanDerWaalsContact O-N 3.09Å; Y161-D164 PolarHBondContact O-N 2.71Å; L162-D164 VanDerWaalsContact C-N 3.31Å; L162-D164 PolarHBondContact O-N 3.37Å; D164-I167 PolarHBondContact O-N 2.96Å; D164-F168 PolarHBondContact O-N 3.43Å |
| 165 | L | 34.5 | Very low | 31.2 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 41% | 0.408 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.8 | -38.8 | 173.1 | -107.5 | 136.1 | 0 | 0 | 0 | 112.9 | Y161 L162 F168 N169 | Y161-L165 HydrophobicContact CD1-CD1 3.5Å; Y161-L165 VanDerWaalsContact CD1-CD1 3.5Å; Y161-L165 HydrophobicContact CE1-CD1 3.53Å; Y161-L165 WeakPolarHBondContact O-CB 3.12Å; Y161-L165 PolarHBondContact O-N 2.94Å; L162-L165 PolarHBondContact O-N 2.82Å; L165-F168 PolarHBondContact O-N 2.86Å; L165-N169 PolarHBondContact O-N 3.05Å |
| 166 | F | 35.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 72% | 0.724 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.1 | -39.6 | 175.5 | -97.7 | -83.5 | 0 | 0 | 0 | 111.9 | L162 S163 F168 N169 S170 | L162-F166 WeakPolarHBondContact O-CD2 3.27Å; L162-F166 PolarHBondContact O-N 2.84Å; S163-F166 PolarHBondContact O-N 3.37Å; F166-F168 VanDerWaalsContact C-N 3.28Å; F166-F168 PolarHBondContact O-N 3.46Å; F166-N169 PolarHBondContact O-N 3.04Å; F166-S170 PolarHBondContact O-N 2.78Å |
| 167 | I | 36.3 | Very low | 30.7 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 54% | 0.544 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.8 | -39.3 | 173.3 | -63.7 | 167.7 | 0 | 0 | 0 | 110.1 | S163 D164 S170 T171 | S163-I167 WeakPolarHBondContact O-CG1 3.41Å; S163-I167 PolarHBondContact O-N 3.49Å; S163-I167 VanDerWaalsContact O-N 3.08Å; D164-I167 PolarHBondContact O-N 2.96Å; I167-S170 PolarHBondContact O-N 2.77Å; I167-S170 PolarHBondContact O-OG 2.84Å; I167-T171 PolarHBondContact O-OG1 3.27Å |
| 168 | F | 27.8 | Very low | 30.1 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.1 | -33.8 | -179.8 | -126.3 | -89.2 | 0 | 0 | 0 | 114.2 | D164 L165 F166 S170 T171 K172 | D164-F168 PolarHBondContact O-N 3.43Å; L165-F168 PolarHBondContact O-N 2.86Å; F166-F168 VanDerWaalsContact C-N 3.28Å; F166-F168 PolarHBondContact O-N 3.46Å; F168-S170 VanDerWaalsContact C-N 3.34Å; F168-T171 PolarHBondContact O-N 3.4Å; F168-T171 PolarHBondContact O-OG1 3.37Å; F168-K172 PolarHBondContact O-N 3.35Å |
| 169 | N | 29.4 | Very low | 29.8 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.7 | -26 | 175.2 | -85.8 | -19.8 | 0 | 0 | 0 | 112.8 | L165 F166 T171 | L165-N169 PolarHBondContact O-N 3.05Å; F166-N169 PolarHBondContact O-N 3.04Å; N169-T171 VanDerWaalsContact C-N 3.29Å; N169-T171 PolarHBondContact O-N 2.92Å |
| 170 | S | 28.7 | Very low | 29.4 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 54% | 0.538 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.8 | -25.3 | 174.6 | 78.1 | 0 | 0 | 0 | 0 | 113.5 | F166 I167 F168 T173 | F166-S170 PolarHBondContact O-N 2.78Å; I167-S170 PolarHBondContact O-N 2.77Å; I167-S170 PolarHBondContact O-OG 2.84Å; F168-S170 VanDerWaalsContact C-N 3.34Å; S170-T173 PolarHBondContact O-OG1 2.99Å |
| 171 | T | 29.1 | Very low | 28.7 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -97.6 | -12.2 | -177.6 | 49.9 | 0 | 0 | 0 | 0 | 114 | I167 F168 N169 T173 | I167-T171 PolarHBondContact O-OG1 3.27Å; F168-T171 PolarHBondContact O-N 3.4Å; F168-T171 PolarHBondContact O-OG1 3.37Å; N169-T171 VanDerWaalsContact C-N 3.29Å; N169-T171 PolarHBondContact O-N 2.92Å; T171-T173 VanDerWaalsContact C-N 3.29Å; T171-T173 PolarHBondContact O-N 2.95Å |
| 172 | K | 27.2 | Very low | 28.2 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -79.5 | -3.9 | 179.6 | -124.5 | -178 | -177.4 | -178.7 | 0 | 114.9 | F168 R174 | F168-K172 PolarHBondContact O-N 3.35Å; K172-R174 PolarHBondContact O-N 2.93Å; K172-R174 VanDerWaalsContact O-N 3.12Å |
| 173 | T | 26.9 | Very low | 27.7 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -72.9 | 7.1 | -179.9 | 27.4 | 0 | 0 | 0 | 0 | 115.7 | S170 T171 | S170-T173 PolarHBondContact O-OG1 2.99Å; T171-T173 VanDerWaalsContact C-N 3.29Å; T171-T173 PolarHBondContact O-N 2.95Å |
| 174 | R | 24.9 | Very low | 27.2 | Very low | 232 Ų | 232 | 128 Ų | 128 | 88% | 0.875 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -140.7 | 19.6 | -178.3 | -105.7 | -174.7 | -169.7 | -177.5 | 3.8 | 118 | K172 L176 | K172-R174 PolarHBondContact O-N 2.93Å; K172-R174 VanDerWaalsContact O-N 3.12Å; R174-L176 VanDerWaalsContact C-N 3.33Å; R174-L176 PolarHBondContact O-N 3.22Å; R174-L176 VanDerWaalsContact O-N 3.16Å |
| 175 | L | 23 | Very low | 26.7 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | trans | -87.4 | 82.1 | 165.9 | -137.9 | 114 | 0 | 0 | 0 | 109 | A177 | L175-A177 PolarHBondContact O-N 3.14Š| ||
| 176 | L | 24.9 | Very low | 26.1 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | trans | -55.1 | 105.7 | 161.9 | -88.8 | 153.1 | 0 | 0 | 0 | 107 | R174 T178 | R174-L176 VanDerWaalsContact C-N 3.33Å; R174-L176 PolarHBondContact O-N 3.22Å; R174-L176 VanDerWaalsContact O-N 3.16Å; L176-T178 PolarHBondContact O-N 3.17Å | ||
| 177 | A | 24.7 | Very low | 25.4 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | trans | -65.2 | 85.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | L175 V179 | L175-A177 PolarHBondContact O-N 3.14Å; A177-V179 VanDerWaalsContact C-N 3.3Å; A177-V179 PolarHBondContact O-N 2.9Å | ||
| 178 | T | 22.5 | Very low | 24.7 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -61.7 | 103.1 | 155.7 | 35.6 | 0 | 0 | 0 | 0 | 106.1 | L176 S180 | L176-T178 PolarHBondContact O-N 3.17Å; T178-S180 PolarHBondContact O-N 3.47Å | ||
| 179 | V | 23.2 | Very low | 24.4 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -59.5 | 84.9 | 164.8 | -174 | 0 | 0 | 0 | 0 | 106.3 | A177 S181 | A177-V179 VanDerWaalsContact C-N 3.3Å; A177-V179 PolarHBondContact O-N 2.9Å; V179-S181 VanDerWaalsContact C-N 3.33Å; V179-S181 PolarHBondContact O-N 2.95Å; V179-S181 VanDerWaalsContact O-N 3.12Å | ||
| 180 | S | 23.9 | Very low | 24 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 85.6 | 177.1 | 60.4 | 0 | 0 | 0 | 0 | 107.8 | T178 | T178-S180 PolarHBondContact O-N 3.47Š| ||
| 181 | S | 24.5 | Very low | 23.6 | Very low | 99 Ų | 99 | 153.6 Ų | 153.6 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -51.4 | 134 | 156.3 | 26.2 | 0 | 0 | 0 | 0 | 109.5 | V179 S183 | V179-S181 VanDerWaalsContact C-N 3.33Å; V179-S181 PolarHBondContact O-N 2.95Å; V179-S181 VanDerWaalsContact O-N 3.12Å; S181-S183 PolarHBondContact O-N 3.41Å | ||
| 182 | F | 22.8 | Very low | 23.3 | Very low | 206 Ų | 206 | 156.8 Ų | 156.8 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -38.3 | 119 | 174.9 | -86 | -107.2 | 0 | 0 | 0 | 113 | ||||
| 183 | S | 24.1 | Very low | 23.1 | Very low | 107 Ų | 107 | 158.7 Ų | 158.7 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -146.2 | 101.8 | 148.6 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | S181 | S181-S183 PolarHBondContact O-N 3.41Š| ||
| 184 | L | 24.1 | Very low | 22.8 | Very low | 144 Ų | 144 | 162 Ų | 162 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -62.6 | 129.6 | 160.5 | -75.4 | 153.5 | 0 | 0 | 0 | 107 | ||||
| 185 | F | 22.2 | Very low | 22.9 | Very low | 178 Ų | 178 | 155.2 Ų | 155.2 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 71.7 | 97.2 | 175.8 | -55.5 | -85.1 | 0 | 0 | 0 | 116.7 | ||||
| 186 | N | 22.2 | Very low | 22.9 | Very low | 148 Ų | 148 | 154.9 Ų | 154.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | -173.4 | 112 | 114.9 | -94.5 | -25.2 | 0 | 0 | 0 | 110.4 | |||||
| 187 | E | 21 | Very low | 22.8 | Very low | 176 Ų | 176 | 152.3 Ų | 152.3 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 25.1 | 111.1 | 138.6 | -151.2 | 169.2 | -165.2 | 0 | 0 | 117.1 | R189 | E187-R189 PolarHBondContact O-N 2.95Š| ||
| 188 | F | 22.5 | Very low | 22.8 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -51.4 | 93 | 174 | -78.5 | -91.3 | 0 | 0 | 0 | 111.7 | Y190 | F188-Y190 PolarHBondContact O-N 3.35Š| ||
| 189 | R | 20.3 | Very low | 22.8 | Very low | 235 Ų | 235 | 153.8 Ų | 153.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -80.7 | 105.4 | 169.9 | -136.6 | -178.7 | -84 | 176 | -6.2 | 107.7 | E187 E191 | E187-R189 PolarHBondContact O-N 2.95Å; R189-E191 VanDerWaalsContact C-N 3.33Å; R189-E191 PolarHBondContact O-N 2.86Å | ||
| 190 | Y | 21.8 | Very low | 22.7 | Very low | 214 Ų | 214 | 152.1 Ų | 152.1 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -61.3 | 91.9 | 170.2 | -84.7 | -95.7 | 0 | 0 | 0 | 109.4 | F188 K192 | F188-Y190 PolarHBondContact O-N 3.35Å; Y190-K192 VanDerWaalsContact C-N 3.28Å; Y190-K192 PolarHBondContact O-N 3.45Å | ||
| 191 | E | 20.8 | Very low | 22.5 | Very low | 144 Ų | 144 | 157.3 Ų | 157.3 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | trans | -78.8 | 85.5 | 166.9 | -134.5 | -177.6 | -140.8 | 0 | 0 | 108 | R189 R193 | R189-E191 VanDerWaalsContact C-N 3.33Å; R189-E191 PolarHBondContact O-N 2.86Å; E191-R193 PolarHBondContact O-N 3.49Å; E191-R193 IonicContact OE2-CZ 3.47Å; E191-R193 IonicContact OE2-NE 3.32Å; E191-R193 PolarHBondContact OE2-NE 2.93Å; E191-R193 IonicContact OE2-NH2 3.95Å; E191-R193 PolarHBondContact OE2-NH2 3.44Å | ||
| 192 | K | 21.9 | Very low | 22.5 | Very low | 165 Ų | 165 | 160.8 Ų | 160.8 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -62 | 82.3 | 163.7 | -84.4 | -178.2 | 174.3 | 178.1 | 0 | 108.1 | Y190 Y194 | Y190-K192 VanDerWaalsContact C-N 3.28Å; Y190-K192 PolarHBondContact O-N 3.45Å; K192-Y194 PolarHBondContact O-N 2.91Å; K192-Y194 VanDerWaalsContact O-N 3.11Å | ||
| 193 | R | 22.2 | Very low | 22.5 | Very low | 199 Ų | 199 | 156.7 Ų | 156.7 | 75% | 0.751 | 77% | 0.769 | S | S | * | * | trans | -74.6 | 100.8 | 164.5 | -71.4 | -168.8 | -165.8 | -177.8 | 4.2 | 107.8 | E191 A195 | E191-R193 PolarHBondContact O-N 3.49Å; E191-R193 IonicContact OE2-CZ 3.47Å; E191-R193 IonicContact OE2-NE 3.32Å; E191-R193 PolarHBondContact OE2-NE 2.93Å; E191-R193 IonicContact OE2-NH2 3.95Å; E191-R193 PolarHBondContact OE2-NH2 3.44Å; R193-A195 VanDerWaalsContact C-N 3.29Å; R193-A195 PolarHBondContact O-N 2.77Å | ||
| 194 | Y | 22.4 | Very low | 22.6 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -56.4 | 96.4 | 158.1 | -73.7 | -94.2 | 0 | 0 | 0 | 107.4 | K192 D196 | K192-Y194 PolarHBondContact O-N 2.91Å; K192-Y194 VanDerWaalsContact O-N 3.11Å; Y194-D196 VanDerWaalsContact C-N 3.29Å; Y194-D196 PolarHBondContact O-N 3.25Å | ||
| 195 | A | 26.4 | Very low | 23 | Very low | 89 Ų | 89 | 154.5 Ų | 154.5 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -87.9 | 82.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | R193 S197 | R193-A195 VanDerWaalsContact C-N 3.29Å; R193-A195 PolarHBondContact O-N 2.77Å; A195-S197 PolarHBondContact O-N 2.98Å | ||
| 196 | D | 22.9 | Very low | 23.5 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -61.6 | 85.5 | 153.8 | -74.4 | -34.6 | 0 | 0 | 0 | 107.1 | Y194 | Y194-D196 VanDerWaalsContact C-N 3.29Å; Y194-D196 PolarHBondContact O-N 3.25Å | ||
| 197 | S | 22.7 | Very low | 23.6 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -114.2 | 115.7 | 163.9 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | A195 V199 | A195-S197 PolarHBondContact O-N 2.98Å; S197-V199 PolarHBondContact O-N 3.44Å | ||
| 198 | P | 24.3 | Very low | 23.7 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -64.6 | 130 | -172.5 | 25.1 | -31.7 | 0 | 0 | 0 | 110.2 | C200 | P198-C200 PolarHBondContact O-N 3.46Š| ||
| 199 | V | 22.3 | Very low | 23.8 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -46.9 | 102.7 | 169.6 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | S197 R201 | S197-V199 PolarHBondContact O-N 3.44Å; V199-R201 VanDerWaalsContact C-N 3.29Å; V199-R201 HydrophobicContact CG1-CG 4.47Å; V199-R201 PolarHBondContact O-N 3.32Å | ||
| 200 | C | 20.9 | Very low | 23.9 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | trans | -65.2 | 92.3 | 170.1 | -82 | 0 | 0 | 0 | 0 | 108.9 | P198 H202 | P198-C200 PolarHBondContact O-N 3.46Å; C200-H202 VanDerWaalsContact C-N 3.32Å; C200-H202 PolarHBondContact O-N 3Å | ||
| 201 | R | 19.8 | Very low | 24.1 | Very low | 217 Ų | 217 | 137 Ų | 137 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | -66.8 | 89.2 | 166.2 | -72 | 180 | 171.4 | 162.3 | -2.3 | 108.5 | V199 T203 | V199-R201 VanDerWaalsContact C-N 3.29Å; V199-R201 HydrophobicContact CG1-CG 4.47Å; V199-R201 PolarHBondContact O-N 3.32Å; R201-T203 VanDerWaalsContact C-N 3.34Å; R201-T203 PolarHBondContact O-N 2.89Å | ||
| 202 | H | 24.6 | Very low | 24.2 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -94.9 | 70.5 | 162.7 | -64.5 | -64.4 | 0 | 0 | 0 | 109.1 | C200 | C200-H202 VanDerWaalsContact C-N 3.32Å; C200-H202 PolarHBondContact O-N 3Å | ||
| 203 | T | 22.1 | Very low | 24.3 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -92 | 101.5 | 160.5 | -20.2 | 0 | 0 | 0 | 0 | 105.8 | R201 | R201-T203 VanDerWaalsContact C-N 3.34Å; R201-T203 PolarHBondContact O-N 2.89Å | ||
| 204 | A | 27.4 | Very low | 24.6 | Very low | 75 Ų | 75 | 130 Ų | 130 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | -59.6 | 130.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | N206 | A204-N206 PolarHBondContact O-N 2.84Š| ||
| 205 | P | 33.1 | Very low | 24.8 | Very low | 130 Ų | 130 | 126 Ų | 126 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -63.5 | -16.2 | -167.9 | -23.2 | 33 | 0 | 0 | 0 | 114.6 | ||
| 206 | N | 32 | Very low | 24.7 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -129.8 | 108.5 | -178.3 | -51.4 | -9.4 | 0 | 0 | 0 | 106.6 | A204 S208 | A204-N206 PolarHBondContact O-N 2.84Å; N206-S208 PolarHBondContact O-N 3.11Å |
| 207 | G | 24.7 | Very low | 24.8 | Very low | 92 Ų | 92 | 125 Ų | 125 | 95% | 0.948 | 76% | 0.759 | S | S | * | * | trans | -66.9 | 54.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 208 | S | 22.4 | Very low | 24.8 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | trans | -102.1 | 104.4 | 179.4 | 169.2 | 0 | 0 | 0 | 0 | 109.8 | N206 L210 | N206-S208 PolarHBondContact O-N 3.11Å; S208-L210 PolarHBondContact O-N 2.93Å | ||
| 209 | L | 24.4 | Very low | 24.8 | Very low | 162 Ų | 162 | 132 Ų | 132 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -64.7 | 109.2 | 162.3 | -83.1 | 156.3 | 0 | 0 | 0 | 108.3 | I211 | L209-I211 VanDerWaalsContact C-N 3.33Å; L209-I211 PolarHBondContact O-N 2.96Å | ||
| 210 | L | 23.8 | Very low | 24.8 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -69.8 | 92.8 | 170.1 | -69.6 | 169.7 | 0 | 0 | 0 | 108.2 | S208 S212 | S208-L210 PolarHBondContact O-N 2.93Å; L210-S212 PolarHBondContact O-N 3.28Å | ||
| 211 | I | 25.4 | Very low | 24.9 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | trans | -78.2 | 99.5 | 165.8 | -59.6 | 170 | 0 | 0 | 0 | 105.5 | L209 D213 | L209-I211 VanDerWaalsContact C-N 3.33Å; L209-I211 PolarHBondContact O-N 2.96Å; I211-D213 PolarHBondContact O-N 2.87Å | ||
| 212 | S | 22.8 | Very low | 25.1 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 116.2 | 173 | -57 | 0 | 0 | 0 | 0 | 109.5 | L210 | L210-S212 PolarHBondContact O-N 3.28Š| ||
| 213 | D | 22.7 | Very low | 25 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -69 | 121.7 | 178.2 | -161.8 | -1.6 | 0 | 0 | 0 | 110.4 | I211 S215 | I211-D213 PolarHBondContact O-N 2.87Å; D213-S215 PolarHBondContact O-N 2.77Å | ||
| 214 | P | 30.2 | Very low | 25.3 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 64.6 | 178.4 | 33.9 | -33.8 | 0 | 0 | 0 | 111.1 | S216 | P214-S216 VanDerWaalsContact C-N 3.32Å; P214-S216 PolarHBondContact O-N 2.85Å; P214-S216 VanDerWaalsContact O-N 3.17Å | ||
| 215 | S | 25.1 | Very low | 25.5 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -84.4 | 74.4 | 166.2 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | D213 | D213-S215 PolarHBondContact O-N 2.77Š| ||
| 216 | S | 25.8 | Very low | 25.3 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -136.7 | 91.6 | 164.7 | -165.8 | 0 | 0 | 0 | 0 | 110 | P214 R218 | P214-S216 VanDerWaalsContact C-N 3.32Å; P214-S216 PolarHBondContact O-N 2.85Å; P214-S216 VanDerWaalsContact O-N 3.17Å; S216-R218 PolarHBondContact O-N 2.87Å | ||
| 217 | S | 23.8 | Very low | 25.4 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -65.4 | 89.2 | 172.3 | 55.2 | 0 | 0 | 0 | 0 | 110 | V219 | S217-V219 PolarHBondContact O-N 3.4Š| ||
| 218 | R | 23.3 | Very low | 25.8 | Very low | 226 Ų | 226 | 135.8 Ų | 135.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -91.9 | 102.4 | 167.7 | -152 | 173.5 | -151.3 | -164.9 | 4.6 | 109.1 | S216 V220 | S216-R218 PolarHBondContact O-N 2.87Å; R218-V220 PolarHBondContact O-N 3.28Å | ||
| 219 | V | 23.2 | Very low | 26 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -51.6 | 103.9 | 170.5 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | S217 | S217-V219 PolarHBondContact O-N 3.4Š| ||
| 220 | V | 23.5 | Very low | 26.3 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 114.3 | 168.9 | 179.5 | 0 | 0 | 0 | 0 | 106.8 | R218 Q222 | R218-V220 PolarHBondContact O-N 3.28Å; V220-Q222 PolarHBondContact O-N 3.34Å | ||
| 221 | S | 23.5 | Very low | 26.6 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -53.4 | 125.7 | 175.9 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | V223 | S221-V223 PolarHBondContact O-N 2.94Š| ||
| 222 | Q | 22.7 | Very low | 26.8 | Very low | 199 Ų | 199 | 139 Ų | 139 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -60.1 | 103.3 | 171.7 | -77.3 | -178.4 | -36.2 | 0 | 0 | 109.5 | V220 S224 | V220-Q222 PolarHBondContact O-N 3.34Å; Q222-S224 PolarHBondContact O-N 3.33Å | ||
| 223 | V | 24.1 | Very low | 27.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -78.5 | 102.2 | 165.9 | 179 | 0 | 0 | 0 | 0 | 106.9 | S221 S225 | S221-V223 PolarHBondContact O-N 2.94Å; V223-S225 PolarHBondContact O-N 3Å | ||
| 224 | S | 27.3 | Very low | 27.4 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -65.4 | 93.3 | 169.5 | 154.5 | 0 | 0 | 0 | 0 | 109.4 | Q222 | Q222-S224 PolarHBondContact O-N 3.33Š| ||
| 225 | S | 30.8 | Very low | 27.4 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -102.4 | 122.5 | 165.5 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | V223 | V223-S225 PolarHBondContact O-N 3Š| ||
| 226 | K | 30.5 | Very low | 27.9 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 137 | 172.7 | -78.2 | 176.3 | 176.3 | 173.8 | 0 | 108.9 | N228 | K226-N228 PolarHBondContact O-N 3.18Š| ||
| 227 | P | 34.2 | Very low | 28.3 | Very low | 130 Ų | 130 | 150.1 Ų | 150.1 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 22.5 | -165.2 | 30.1 | -36.1 | 0 | 0 | 0 | 116 | ||
| 228 | N | 31.4 | Very low | 28.7 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | 14 | -168.5 | -104 | -7.5 | 0 | 0 | 0 | 117.4 | K226 | K226-N228 PolarHBondContact O-N 3.18Š|
| 229 | E | 27.5 | Very low | 29.2 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -110.2 | 99.6 | 169.9 | -81 | 178.5 | 167.4 | 0 | 0 | 110.1 | P231 | E229-P231 WeakPolarHBondContact O-CD 3.46Š| ||
| 230 | I | 30.3 | Very low | 29.7 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -68.2 | 118.5 | 161.5 | -62.9 | 166.8 | 0 | 0 | 0 | 105.5 | E232 | I230-E232 PolarHBondContact O-N 2.96Š| ||
| 231 | P | 30.6 | Very low | 30 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -64.8 | 111.7 | 178.8 | -14.9 | 27.6 | 0 | 0 | 0 | 109.2 | E229 L233 | E229-P231 WeakPolarHBondContact O-CD 3.46Å; P231-L233 PolarHBondContact O-N 3.26Å | ||
| 232 | E | 29.2 | Very low | 30.4 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -65 | 98.2 | 166.1 | -80.1 | -174.2 | 161.5 | 0 | 0 | 108.3 | I230 K234 | I230-E232 PolarHBondContact O-N 2.96Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 3.12Å | ||
| 233 | L | 29.3 | Very low | 30.8 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -67 | 91.2 | 172.4 | -76 | 161.7 | 0 | 0 | 0 | 108.9 | P231 L235 | P231-L233 PolarHBondContact O-N 3.26Å; L233-L235 PolarHBondContact O-N 2.96Å; L233-L235 VanDerWaalsContact O-N 3.13Å | ||
| 234 | K | 29.3 | Very low | 31 | Very low | 188 Ų | 188 | 147 Ų | 147 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -65.5 | 108.2 | 164.6 | -76.5 | -177.8 | 177.6 | 178.9 | 0 | 108.4 | E232 | E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 3.12Å | ||
| 235 | L | 29.7 | Very low | 31.1 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -59.5 | 130.8 | 167.4 | -97.6 | 126.3 | 0 | 0 | 0 | 108.8 | L233 E237 | L233-L235 PolarHBondContact O-N 2.96Å; L233-L235 VanDerWaalsContact O-N 3.13Å; L235-E237 PolarHBondContact O-N 3.34Å | ||
| 236 | P | 35.2 | Very low | 31.2 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -66.1 | 118.1 | 176.7 | 24.3 | -30.6 | 0 | 0 | 0 | 110.1 | S238 | P236-S238 PolarHBondContact O-N 3.23Š| ||
| 237 | E | 34.7 | Very low | 31.2 | Very low | 203 Ų | 203 | 143.5 Ų | 143.5 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -68.6 | 7 | -178.7 | -89.9 | 179.5 | 161.4 | 0 | 0 | 115.1 | L235 | L235-E237 PolarHBondContact O-N 3.34Š|
| 238 | S | 32.1 | Very low | 31.1 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -134.7 | 75 | -176 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | P236 | P236-S238 PolarHBondContact O-N 3.23Š| ||
| 239 | L | 33.1 | Very low | 31.2 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -74.8 | 126.9 | 155.3 | -76.8 | 170.1 | 0 | 0 | 0 | 107.3 | H241 | L239-H241 PolarHBondContact O-N 3.28Š| ||
| 240 | P | 33.6 | Very low | 31.4 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -57.3 | 125.3 | -179.9 | 21.9 | -30.8 | 0 | 0 | 0 | 109.2 | L242 | P240-L242 PolarHBondContact O-N 2.92Š| ||
| 241 | H | 30.2 | Very low | 31.5 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -50.6 | 104.1 | 170.4 | -69.8 | -85.8 | 0 | 0 | 0 | 108.4 | L239 E243 | L239-H241 PolarHBondContact O-N 3.28Å; H241-E243 PolarHBondContact O-N 3.25Å | ||
| 242 | L | 31.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 147 Ų | 147 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -69.8 | 84.9 | 167.6 | -79.9 | 164.4 | 0 | 0 | 0 | 107.1 | P240 G244 | P240-L242 PolarHBondContact O-N 2.92Å; L242-G244 PolarHBondContact O-N 2.85Å; L242-G244 VanDerWaalsContact O-N 3.13Å | ||
| 243 | E | 31 | Very low | 31.6 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 109.9 | 158.7 | -80.2 | 176.9 | 151.7 | 0 | 0 | 107.5 | H241 | H241-E243 PolarHBondContact O-N 3.25Š|
| 244 | G | 28.1 | Very low | 31.8 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.2 | -17.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L242 A246 | L242-G244 PolarHBondContact O-N 2.85Å; L242-G244 VanDerWaalsContact O-N 3.13Å; G244-A246 VanDerWaalsContact C-N 3.26Å; G244-A246 PolarHBondContact O-N 3.19Å |
| 245 | I | 30.8 | Very low | 31.8 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 68% | 0.677 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -82.2 | 88 | 166.8 | -45.2 | 177.4 | 0 | 0 | 0 | 106.7 | S247 F248 | I245-S247 PolarHBondContact O-N 3.36Å; I245-F248 HydrophobicContact CG2-CE2 4.07Å |
| 246 | A | 32.1 | Very low | 31.6 | Very low | 81 Ų | 81 | 136 Ų | 136 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -38.4 | 125.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | G244 F248 | G244-A246 VanDerWaalsContact C-N 3.26Å; G244-A246 PolarHBondContact O-N 3.19Å; A246-F248 PolarHBondContact O-N 2.92Å | ||
| 247 | S | 30.3 | Very low | 31.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -40.7 | 109.7 | 174.2 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | I245 | I245-S247 PolarHBondContact O-N 3.36Š| ||
| 248 | F | 32.2 | Very low | 30.9 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -61.1 | 129.2 | 163.8 | -70.9 | -84.6 | 0 | 0 | 0 | 107.9 | I245 A246 K250 | I245-F248 HydrophobicContact CG2-CE2 4.07Å; A246-F248 PolarHBondContact O-N 2.92Å; F248-K250 PolarHBondContact O-N 2.82Å | ||
| 249 | P | 34.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -61.9 | 115 | 176.4 | 23.4 | -30.1 | 0 | 0 | 0 | 109.1 | E251 | P249-E251 PolarHBondContact O-N 3.08Š| ||
| 250 | K | 30.5 | Very low | 30.5 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -70.7 | 75.7 | 166 | -89.5 | 177.9 | 171.3 | 175.5 | 0 | 108.5 | F248 | F248-K250 PolarHBondContact O-N 2.82Š| ||
| 251 | E | 32.8 | Very low | 30.2 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -123.5 | 80.2 | 162.4 | -69.9 | -157.1 | 177.6 | 0 | 0 | 109.2 | P249 S253 | P249-E251 PolarHBondContact O-N 3.08Å; E251-S253 PolarHBondContact O-N 3.44Å | ||
| 252 | T | 32.2 | Very low | 30.2 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -69 | 74.6 | 152.9 | 48.4 | 0 | 0 | 0 | 0 | 107.8 | T254 | T252-T254 PolarHBondContact O-N 2.91Š| ||
| 253 | S | 31 | Very low | 30 | Very low | 75 Ų | 75 | 143 Ų | 143 | 52% | 0.524 | 79% | 0.785 | S | S | . | * | trans | -79.7 | 108.4 | 164 | 175.8 | 0 | 0 | 0 | 0 | 107.5 | E251 N255 | E251-S253 PolarHBondContact O-N 3.44Å; S253-N255 PolarHBondContact O-N 3.43Å | ||
| 254 | T | 32 | Very low | 30 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -64.9 | 76.5 | 169.5 | 47.2 | 0 | 0 | 0 | 0 | 109.6 | T252 S256 | T252-T254 PolarHBondContact O-N 2.91Å; T254-S256 VanDerWaalsContact C-N 3.33Å; T254-S256 PolarHBondContact O-N 3.34Å; T254-S256 VanDerWaalsContact O-N 3.08Å | ||
| 255 | N | 29.1 | Very low | 30 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -78 | 94.6 | 164.3 | -76.2 | -24.8 | 0 | 0 | 0 | 107.7 | S253 V257 | S253-N255 PolarHBondContact O-N 3.43Å; N255-V257 PolarHBondContact O-N 3.3Å | ||
| 256 | S | 26.7 | Very low | 29.9 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -49.7 | 99 | 158.9 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | T254 K258 | T254-S256 VanDerWaalsContact C-N 3.33Å; T254-S256 PolarHBondContact O-N 3.34Å; T254-S256 VanDerWaalsContact O-N 3.08Å; S256-K258 PolarHBondContact O-N 3.19Å; S256-K258 VanDerWaalsContact O-N 3.11Å | ||
| 257 | V | 26.5 | Very low | 29.9 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -75.1 | 99.9 | 170 | 178.7 | 0 | 0 | 0 | 0 | 105.7 | N255 E259 | N255-V257 PolarHBondContact O-N 3.3Å; V257-E259 PolarHBondContact O-N 3.16Å | ||
| 258 | K | 29.4 | Very low | 29.8 | Very low | 185 Ų | 185 | 149 Ų | 149 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -53.9 | 123.5 | 162.4 | -91.6 | 175.6 | 168.1 | 179.8 | 0 | 107.8 | S256 E260 | S256-K258 PolarHBondContact O-N 3.19Å; S256-K258 VanDerWaalsContact O-N 3.11Å; K258-E260 PolarHBondContact O-N 3.44Å | ||
| 259 | E | 28.1 | Very low | 29.7 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -55.8 | 100.9 | 160.1 | -77.1 | 175.4 | 136.5 | 0 | 0 | 107.9 | V257 L261 | V257-E259 PolarHBondContact O-N 3.16Å; E259-L261 PolarHBondContact O-N 3.35Å | ||
| 260 | E | 28.2 | Very low | 29.3 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -84.8 | 98.4 | 164.1 | -160 | 170.2 | 150.6 | 0 | 0 | 106.2 | K258 T262 | K258-E260 PolarHBondContact O-N 3.44Å; E260-T262 VanDerWaalsContact C-N 3.3Å; E260-T262 PolarHBondContact O-N 3.43Å | ||
| 261 | L | 26.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -63.8 | 90.1 | 174 | -153.7 | 88.6 | 0 | 0 | 0 | 107.4 | E259 Q263 | E259-L261 PolarHBondContact O-N 3.35Å; L261-Q263 PolarHBondContact O-N 3.12Å | ||
| 262 | T | 29.5 | Very low | 29 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -69.1 | 106.2 | 170.6 | 33.1 | 0 | 0 | 0 | 0 | 108.3 | E260 | E260-T262 VanDerWaalsContact C-N 3.3Å; E260-T262 PolarHBondContact O-N 3.43Å | ||
| 263 | Q | 29.2 | Very low | 28.6 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 131.8 | 177.7 | -156 | 163.1 | -10.3 | 0 | 0 | 109.4 | L261 D265 | L261-Q263 PolarHBondContact O-N 3.12Å; Q263-D265 PolarHBondContact O-N 2.88Å | ||
| 264 | S | 29.4 | Very low | 28.6 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -43.2 | 117.6 | 176.1 | 45.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 265 | D | 27.9 | Very low | 28.1 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -88.6 | 93.9 | 154.3 | -85.1 | -39 | 0 | 0 | 0 | 107.5 | Q263 | Q263-D265 PolarHBondContact O-N 2.88Š| ||
| 266 | E | 29.7 | Very low | 28.1 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -162.3 | 105.8 | 148.9 | -78.5 | -139.3 | 150 | 0 | 0 | 107.5 | ||||
| 267 | D | 32.3 | Very low | 28.1 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -148.1 | 109.5 | 143 | -96.4 | -36.5 | 0 | 0 | 0 | 108.4 | ||||
| 268 | V | 27.7 | Very low | 28 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 68% | 0.679 | 81% | 0.811 | S | S | * | * | trans | -66.8 | 122.1 | 171.6 | 169.5 | 0 | 0 | 0 | 0 | 108.2 | E270 | V268-E270 HydrophobicContact CG1-CG 4.4Š| ||
| 269 | F | 30.8 | Very low | 28.3 | Very low | 207 Ų | 207 | 143.6 Ų | 143.6 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | trans | -130.5 | 104.8 | 152.5 | -105 | -87.3 | 0 | 0 | 0 | 109.3 | ||||
| 270 | E | 25.9 | Very low | 28.2 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | trans | -64.8 | 165.4 | 162.1 | -70.8 | -169.5 | 134.1 | 0 | 0 | 111.6 | V268 | V268-E270 HydrophobicContact CG1-CG 4.4Š| ||
| 271 | S | 31.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | 87.8 | 109 | 153.3 | -51.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 272 | G | 25 | Very low | 28.1 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | 111.8 | 92.3 | 125.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 273 | S | 24.9 | Very low | 28.2 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | 34.5 | 105 | 127.7 | 179.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 274 | S | 29.2 | Very low | 28.3 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | 167.3 | 135.6 | 116.8 | 46.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 275 | G | 23 | Very low | 28.2 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | -77.9 | 166.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 276 | A | 27.9 | Very low | 28.5 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | 94.7 | 124.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 277 | S | 28.1 | Very low | 28.5 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | 83.7 | 92.7 | 150.4 | 75.5 | 0 | 0 | 0 | 0 | 118.8 | M279 | S277-M279 PolarHBondContact O-N 3.18Š| ||
| 278 | F | 24.5 | Very low | 28.5 | Very low | 207 Ų | 207 | 142 Ų | 142 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | 4.2 | 106.4 | 123 | -73.5 | -93.7 | 0 | 0 | 0 | 115.7 | |||||
| 279 | M | 34.3 | Very low | 28.7 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | trans | -126.9 | 134.6 | 149.1 | -85.9 | -70.8 | 174.9 | 0 | 0 | 108.6 | S277 | S277-M279 PolarHBondContact O-N 3.18Š| ||
| 280 | R | 26 | Very low | 29.1 | Very low | 233 Ų | 233 | 142.2 Ų | 142.2 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -117.6 | 116.4 | -165.8 | 169.1 | -164.9 | -163.5 | 160.8 | 5 | 106 | ||||
| 281 | E | 26.3 | Very low | 29.5 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | 167.6 | 144.8 | 165.4 | -104 | 164.1 | 175.6 | 0 | 0 | 106.9 | ||||
| 282 | S | 26.6 | Very low | 29.8 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 66% | 0.664 | 82% | 0.822 | S | S | * | * | cis | -164.7 | 140.4 | -15.6 | 176.3 | 0 | 0 | 0 | 0 | 102.8 | V284 | S282-V284 PolarHBondContact O-N 2.88Å; S282-V284 VanDerWaalsContact O-N 3.15Å | ||
| 283 | P | 32.8 | Very low | 30.7 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -70.5 | 111.5 | -172.1 | 27.2 | -32.5 | 0 | 0 | 0 | 111.3 | A285 | P283-A285 PolarHBondContact O-N 3.04Š| ||
| 284 | V | 30.6 | Very low | 31.6 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -71.5 | 122.5 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | S282 F286 | S282-V284 PolarHBondContact O-N 2.88Å; S282-V284 VanDerWaalsContact O-N 3.15Å; V284-F286 PolarHBondContact O-N 3.17Å | ||
| 285 | A | 27.9 | Very low | 32.2 | Very low | 93 Ų | 93 | 150.2 Ų | 150.2 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -60.9 | 120.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | P283 E287 | P283-A285 PolarHBondContact O-N 3.04Å; A285-E287 PolarHBondContact O-N 3.06Å | ||
| 286 | F | 33 | Very low | 33.8 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -78.4 | 111.6 | 169.8 | -89 | -93 | 0 | 0 | 0 | 109.4 | V284 N288 | V284-F286 PolarHBondContact O-N 3.17Å; F286-N288 PolarHBondContact O-N 3.31Å | ||
| 287 | E | 30.8 | Very low | 34.9 | Very low | 191 Ų | 191 | 151.9 Ų | 151.9 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -72.7 | 113.1 | 171.1 | -162.7 | 179.6 | 172.1 | 0 | 0 | 109 | A285 K289 | A285-E287 PolarHBondContact O-N 3.06Å; E287-K289 PolarHBondContact O-N 2.96Å; E287-K289 VanDerWaalsContact O-N 3.1Å | ||
| 288 | N | 31.1 | Very low | 36.3 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -67.8 | 101 | -179.6 | -68.6 | -62.5 | 0 | 0 | 0 | 110.7 | F286 | F286-N288 PolarHBondContact O-N 3.31Š| ||
| 289 | K | 32.1 | Very low | 38 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -84 | 125.5 | 162.7 | -108.9 | 176.2 | -179 | 173.4 | 0 | 109.5 | E287 M291 | E287-K289 PolarHBondContact O-N 2.96Å; E287-K289 VanDerWaalsContact O-N 3.1Å; K289-M291 PolarHBondContact O-N 3.11Å | ||
| 290 | P | 40.1 | Very low | 39.2 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -66.3 | 121.6 | -179.7 | 24.8 | -31.2 | 0 | 0 | 0 | 110.3 | E292 | P290-E292 PolarHBondContact O-N 3.48Š| ||
| 291 | M | 34.6 | Very low | 41.1 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -68.4 | 112.8 | 175 | -156.5 | 100.8 | 86.2 | 0 | 0 | 108.4 | K289 | K289-M291 PolarHBondContact O-N 3.11Š| ||
| 292 | E | 36.7 | Very low | 42.8 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -60.4 | 134.6 | 172.4 | -161.9 | 173.9 | 155.3 | 0 | 0 | 109.2 | P290 T294 | P290-E292 PolarHBondContact O-N 3.48Å; E292-T294 PolarHBondContact O-N 2.96Å | ||
| 293 | P | 44 | Very low | 44.4 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -66.6 | 110.8 | -173.8 | 25.3 | -32.3 | 0 | 0 | 0 | 109.8 | L295 | P293-L295 PolarHBondContact O-N 3.2Š| ||
| 294 | T | 43.2 | Very low | 45.3 | Very low | 135 Ų | 135 | 136 Ų | 136 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -57.1 | 110.5 | 172.5 | -47.9 | 0 | 0 | 0 | 0 | 108.6 | E292 | E292-T294 PolarHBondContact O-N 2.96Š| ||
| 295 | L | 43.5 | Very low | 46 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 140.4 | 174.2 | -82 | 162.7 | 0 | 0 | 0 | 109.7 | P293 A297 | P293-L295 PolarHBondContact O-N 3.2Å; L295-A297 PolarHBondContact O-N 2.96Å |
| 296 | P | 56.4 | Low | 46.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.3 | -179.1 | 23.6 | -30.8 | 0 | 0 | 0 | 109.9 | ||
| 297 | A | 49.6 | Very low | 46.8 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 139.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L295 | L295-A297 PolarHBondContact O-N 2.96Š|
| 298 | P | 57.9 | Low | 47.2 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 143.3 | 179.9 | 24.1 | -32.3 | 0 | 0 | 0 | 111.1 | ||
| 299 | P | 60.6 | Low | 47.3 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64 | 149.9 | 179.5 | 25.6 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 300 | P | 60.4 | Low | 47.6 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63 | 149.5 | -179.7 | 24.5 | -32.9 | 0 | 0 | 0 | 112.3 | ||
| 301 | P | 64.4 | Low | 47.2 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 143.6 | -177.9 | 24.7 | -32.8 | 0 | 0 | 0 | 112.2 | ||
| 302 | P | 62.9 | Low | 47.3 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.9 | 178.3 | 26 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 303 | P | 60.2 | Low | 47.1 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62 | 150.1 | 178.4 | 25.4 | -33.3 | 0 | 0 | 0 | 111.6 | V305 | P303-V305 PolarHBondContact O-N 3.47Š|
| 304 | P | 52.2 | Low | 46.7 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 123.4 | -177.6 | 23 | -32.5 | 0 | 0 | 0 | 110.6 | I306 | P304-I306 PolarHBondContact O-N 3.46Š|
| 305 | V | 44.5 | Very low | 46.4 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -69.3 | 103.7 | 174.4 | -170.6 | 0 | 0 | 0 | 0 | 106.7 | P303 E307 | P303-V305 PolarHBondContact O-N 3.47Å; V305-E307 PolarHBondContact O-N 3.13Å | ||
| 306 | I | 41.8 | Very low | 46 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -68 | 107 | 171.4 | -61.2 | 167.9 | 0 | 0 | 0 | 106 | P304 S308 | P304-I306 PolarHBondContact O-N 3.46Å; I306-S308 PolarHBondContact O-N 3.35Å | ||
| 307 | E | 36.4 | Very low | 45.2 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -53.6 | 122.4 | 174.8 | -75 | -174.3 | 154.1 | 0 | 0 | 109.2 | V305 N309 | V305-E307 PolarHBondContact O-N 3.13Å; E307-N309 PolarHBondContact O-N 2.88Å | ||
| 308 | S | 38.8 | Very low | 44.9 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -69.8 | 80.2 | 178.8 | -60 | 0 | 0 | 0 | 0 | 109.3 | I306 S310 | I306-S308 PolarHBondContact O-N 3.35Å; S308-S310 VanDerWaalsContact C-N 3.29Å; S308-S310 PolarHBondContact O-N 3.45Å | ||
| 309 | N | 33.9 | Very low | 44.2 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -70.2 | 96.4 | 166.2 | -90.9 | -13.5 | 0 | 0 | 0 | 108.7 | E307 T311 | E307-N309 PolarHBondContact O-N 2.88Å; N309-T311 PolarHBondContact O-N 2.86Å | ||
| 310 | S | 36.7 | Very low | 43.3 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -67.4 | 96.2 | 169.7 | 43 | 0 | 0 | 0 | 0 | 109.7 | S308 | S308-S310 VanDerWaalsContact C-N 3.29Å; S308-S310 PolarHBondContact O-N 3.45Å | ||
| 311 | T | 32.6 | Very low | 42.8 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -151.4 | 109.9 | 144.8 | -44.6 | 0 | 0 | 0 | 0 | 108.5 | N309 L313 | N309-T311 PolarHBondContact O-N 2.86Å; T311-L313 VanDerWaalsContact C-N 3.27Å; T311-L313 PolarHBondContact O-N 3.21Å | ||
| 312 | P | 36.6 | Very low | 42.1 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -70.3 | 90.2 | 170.9 | 28.7 | -30.3 | 0 | 0 | 0 | 107.7 | P314 | P312-P314 WeakPolarHBondContact O-CD 3.38Š| ||
| 313 | L | 33.6 | Very low | 41.3 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | trans | -65 | 123 | 161 | -85.8 | 110.1 | 0 | 0 | 0 | 106.8 | T311 M315 | T311-L313 VanDerWaalsContact C-N 3.27Å; T311-L313 PolarHBondContact O-N 3.21Å; L313-M315 PolarHBondContact O-N 3.26Å | ||
| 314 | P | 35.2 | Very low | 40.7 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -66.6 | 91.2 | 170.6 | 28.2 | -31.4 | 0 | 0 | 0 | 106.9 | P312 S316 | P312-P314 WeakPolarHBondContact O-CD 3.38Å; P314-S316 PolarHBondContact O-N 3.44Å | ||
| 315 | M | 35.7 | Very low | 40.8 | Very low | 173 Ų | 173 | 122.2 Ų | 122.2 | 85% | 0.852 | 70% | 0.702 | S | S | * | * | trans | -67 | 89.2 | 159.5 | -66.4 | -142.5 | 85 | 0 | 0 | 105.5 | L313 S317 | L313-M315 PolarHBondContact O-N 3.26Å; M315-S317 PolarHBondContact O-N 3.02Å | ||
| 316 | S | 36.3 | Very low | 41.1 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | trans | -61.2 | 84.6 | 161.7 | 58.8 | 0 | 0 | 0 | 0 | 106.6 | P314 | P314-S316 PolarHBondContact O-N 3.44Š| ||
| 317 | S | 39.6 | Very low | 41.4 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | trans | -55 | 129.9 | 161.3 | 43.7 | 0 | 0 | 0 | 0 | 106.2 | M315 S319 | M315-S317 PolarHBondContact O-N 3.02Å; S317-S319 VanDerWaalsContact C-N 3.35Å; S317-S319 PolarHBondContact O-N 3.2Å | ||
| 318 | P | 42.5 | Very low | 42.1 | Very low | 112 Ų | 112 | 118 Ų | 118 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | trans | -55.4 | 104.2 | -178.4 | 20.8 | -31 | 0 | 0 | 0 | 107.6 | R320 | P318-R320 PolarHBondContact O-N 2.94Š| ||
| 319 | S | 43 | Very low | 42.9 | Very low | 78 Ų | 78 | 121 Ų | 121 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | trans | -61.5 | 135.9 | -171.2 | 73.5 | 0 | 0 | 0 | 0 | 107.4 | S317 V321 D322 | S317-S319 VanDerWaalsContact C-N 3.35Å; S317-S319 PolarHBondContact O-N 3.2Å; S319-V321 PolarHBondContact O-N 2.96Å; S319-D322 WeakPolarHBondContact O-CB 3.43Å; S319-D322 PolarHBondContact O-N 3.07Å | ||
| 320 | R | 41.4 | Very low | 43.8 | Very low | 203 Ų | 203 | 117.2 Ų | 117.2 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.3 | -21.5 | 177.3 | -179 | 179.5 | 169.2 | 127.1 | -1.3 | 116.9 | P318 D322 | P318-R320 PolarHBondContact O-N 2.94Å; R320-D322 PolarHBondContact O-N 3.35Å |
| 321 | V | 49.9 | Very low | 43.8 | Very low | 110 Ų | 110 | 113.5 Ų | 113.5 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.5 | -36.7 | 171.8 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | S319 M324 A325 | S319-V321 PolarHBondContact O-N 2.96Å; V321-M324 PolarHBondContact O-N 2.89Å; V321-A325 WeakPolarHBondContact O-CB 3.42Å; V321-A325 PolarHBondContact O-N 3.22Å |
| 322 | D | 51.2 | Low | 44.1 | Very low | 105 Ų | 105 | 110.1 Ų | 110.1 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.2 | -34.5 | -176 | -150.1 | 11.1 | 0 | 0 | 0 | 112.4 | S319 R320 A325 S326 | S319-D322 WeakPolarHBondContact O-CB 3.43Å; S319-D322 PolarHBondContact O-N 3.07Å; R320-D322 PolarHBondContact O-N 3.35Å; D322-A325 PolarHBondContact O-N 3.19Å; D322-S326 WeakPolarHBondContact O-CB 3.42Å; D322-S326 PolarHBondContact O-N 2.98Å |
| 323 | L | 45.6 | Very low | 44.4 | Very low | 115 Ų | 115 | 111.4 Ų | 111.4 | 60% | 0.602 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.6 | -41.9 | 175.9 | -167.8 | 80.9 | 0 | 0 | 0 | 111.8 | S326 I327 | L323-S326 PolarHBondContact O-N 2.82Å; L323-I327 HydrophobicContact CD2-CD1 4.34Å; L323-I327 HydrophobicContact CG-CD1 4.03Å; L323-I327 WeakPolarHBondContact O-CB 3.46Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.49Å; L323-I327 PolarHBondContact O-N 3.46Å |
| 324 | M | 46.8 | Very low | 44.8 | Very low | 111 Ų | 111 | 113.3 Ų | 113.3 | 55% | 0.547 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70 | -35.3 | 178.1 | -76.4 | -84 | 94.7 | 0 | 0 | 111.9 | V321 I327 R328 | V321-M324 PolarHBondContact O-N 2.89Å; M324-I327 HydrophobicContact CE-CD1 3.71Å; M324-R328 WeakPolarHBondContact O-CB 3.42Å; M324-R328 PolarHBondContact O-N 3.26Å; M324-R328 VanDerWaalsContact O-N 3.15Å |
| 325 | A | 54.3 | Low | 45.1 | Very low | 47 Ų | 47 | 118 Ų | 118 | 39% | 0.388 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.8 | -47.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V321 D322 I327 R328 E329 | V321-A325 WeakPolarHBondContact O-CB 3.42Å; V321-A325 PolarHBondContact O-N 3.22Å; D322-A325 PolarHBondContact O-N 3.19Å; A325-I327 PolarHBondContact O-N 3.27Å; A325-R328 CarbonylContact O-C 3.57Å; A325-R328 WeakPolarHBondContact O-CB 3.34Å; A325-R328 PolarHBondContact O-N 3.44Å; A325-R328 VanDerWaalsContact O-N 3.07Å; A325-E329 WeakPolarHBondContact O-CB 3.35Å; A325-E329 PolarHBondContact O-N 3.27Å |
| 326 | S | 50.7 | Low | 45.4 | Very low | 65 Ų | 65 | 118.3 Ų | 118.3 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.6 | -40.7 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 112.8 | D322 L323 R328 E329 A330 | D322-S326 WeakPolarHBondContact O-CB 3.42Å; D322-S326 PolarHBondContact O-N 2.98Å; L323-S326 PolarHBondContact O-N 2.82Å; S326-R328 VanDerWaalsContact C-N 3.31Å; S326-R328 PolarHBondContact O-N 3.21Å; S326-E329 PolarHBondContact O-N 3.18Å; S326-A330 WeakPolarHBondContact O-CA 3.48Å; S326-A330 WeakPolarHBondContact O-CB 3.43Å; S326-A330 PolarHBondContact O-N 2.81Å |
| 327 | I | 48.9 | Very low | 45.6 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 41% | 0.41 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.8 | -35.2 | 175.4 | -68.5 | 163.5 | 0 | 0 | 0 | 111.3 | L323 M324 A325 G332 | L323-I327 HydrophobicContact CD2-CD1 4.34Å; L323-I327 HydrophobicContact CG-CD1 4.03Å; L323-I327 WeakPolarHBondContact O-CB 3.46Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.49Å; L323-I327 PolarHBondContact O-N 3.46Å; M324-I327 HydrophobicContact CE-CD1 3.71Å; A325-I327 PolarHBondContact O-N 3.27Å; I327-G332 WeakPolarHBondContact O-CA 3.49Å; I327-G332 PolarHBondContact O-N 2.86Å |
| 328 | R | 50.3 | Low | 45.7 | Very low | 213 Ų | 213 | 126.8 Ų | 126.8 | 80% | 0.804 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73 | -41.4 | 177.7 | -161.1 | -177.9 | -62.6 | -148.4 | 1 | 111.4 | M324 A325 S326 G331 | M324-R328 WeakPolarHBondContact O-CB 3.42Å; M324-R328 PolarHBondContact O-N 3.26Å; M324-R328 VanDerWaalsContact O-N 3.15Å; A325-R328 CarbonylContact O-C 3.57Å; A325-R328 WeakPolarHBondContact O-CB 3.34Å; A325-R328 PolarHBondContact O-N 3.44Å; A325-R328 VanDerWaalsContact O-N 3.07Å; S326-R328 VanDerWaalsContact C-N 3.31Å; S326-R328 PolarHBondContact O-N 3.21Å; R328-G331 PolarHBondContact O-N 3.08Å |
| 329 | E | 56.2 | Low | 45.4 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.7 | -33.5 | 178.1 | -159.5 | 174.7 | -154.2 | 0 | 0 | 111.9 | A325 S326 G331 | A325-E329 WeakPolarHBondContact O-CB 3.35Å; A325-E329 PolarHBondContact O-N 3.27Å; S326-E329 PolarHBondContact O-N 3.18Å; E329-G331 PolarHBondContact O-N 3Å |
| 330 | A | 52.3 | Low | 45.3 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 8.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S326 | S326-A330 WeakPolarHBondContact O-CA 3.48Å; S326-A330 WeakPolarHBondContact O-CB 3.43Å; S326-A330 PolarHBondContact O-N 2.81Å |
| 331 | G | 36.8 | Very low | 45 | Very low | 29 Ų | 29 | 132 Ų | 132 | 30% | 0.299 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 65.4 | 44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R328 E329 I333 | R328-G331 PolarHBondContact O-N 3.08Å; E329-G331 PolarHBondContact O-N 3Å; G331-I333 PolarHBondContact O-N 2.91Å |
| 332 | G | 38.4 | Very low | 44.3 | Very low | 37 Ų | 37 | 134.6 Ų | 134.6 | 38% | 0.381 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -41.2 | 127.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I327 E334 | I327-G332 WeakPolarHBondContact O-CA 3.49Å; I327-G332 PolarHBondContact O-N 2.86Å; G332-E334 VanDerWaalsContact C-N 3.26Å; G332-E334 PolarHBondContact O-N 2.84Å |
| 333 | I | 43 | Very low | 43.7 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 77% | 0.774 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.4 | -37.5 | 171.6 | -54.8 | 169.9 | 0 | 0 | 0 | 115.9 | G331 R335 F336 | G331-I333 PolarHBondContact O-N 2.91Å; I333-R335 VanDerWaalsContact C-N 3.27Å; I333-R335 PolarHBondContact O-N 3.41Å; I333-F336 PolarHBondContact O-N 3.24Å |
| 334 | E | 43.7 | Very low | 43.2 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -24.7 | -177.2 | -72.5 | -163.8 | 172.5 | 0 | 0 | 114 | G332 | G332-E334 VanDerWaalsContact C-N 3.26Å; G332-E334 PolarHBondContact O-N 2.84Å |
| 335 | R | 40.6 | Very low | 42.8 | Very low | 216 Ų | 216 | 140.5 Ų | 140.5 | 82% | 0.815 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -11.4 | 179.5 | -69.9 | -173.2 | 172.6 | -128.6 | 0.3 | 114.7 | I333 K337 | I333-R335 VanDerWaalsContact C-N 3.27Å; I333-R335 PolarHBondContact O-N 3.41Å; R335-K337 PolarHBondContact O-N 3.24Å |
| 336 | F | 41.5 | Very low | 42.2 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 79% | 0.789 | 70% | 0.698 | S | S | * | * | trans | -80.7 | 75.3 | 172 | -71.5 | -81.6 | 0 | 0 | 0 | 109.2 | I333 F338 | I333-F336 PolarHBondContact O-N 3.24Å; F336-F338 PolarHBondContact O-N 3.45Å | ||
| 337 | K | 41.8 | Very low | 41.4 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | trans | -63.8 | 83.6 | 161.5 | -71.5 | -165.7 | 179.2 | -174.6 | 0 | 107.8 | R335 K339 | R335-K337 PolarHBondContact O-N 3.24Å; K337-K339 PolarHBondContact O-N 3.27Å | ||
| 338 | F | 40 | Very low | 40.9 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | -61.5 | 96.2 | 165.5 | -147.1 | -95.6 | 0 | 0 | 0 | 105.1 | F336 S340 | F336-F338 PolarHBondContact O-N 3.45Å; F338-S340 PolarHBondContact O-N 2.86Å | ||
| 339 | K | 37.9 | Very low | 40.5 | Very low | 188 Ų | 188 | 149 Ų | 149 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | trans | -58.8 | 98.5 | 166.2 | -78.8 | -174.8 | 176.4 | -180 | 0 | 104.3 | K337 R341 | K337-K339 PolarHBondContact O-N 3.27Å; K339-R341 VanDerWaalsContact C-N 3.26Å; K339-R341 PolarHBondContact O-N 3.18Å | ||
| 340 | S | 39.1 | Very low | 39.8 | Very low | 95 Ų | 95 | 149 Ų | 149 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | trans | -57.6 | 102.6 | 170.7 | 61.8 | 0 | 0 | 0 | 0 | 105 | F338 Q342 | F338-S340 PolarHBondContact O-N 2.86Å; S340-Q342 PolarHBondContact O-N 2.88Å | ||
| 341 | R | 36.2 | Very low | 39.6 | Very low | 220 Ų | 220 | 147.4 Ų | 147.4 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | trans | -56.7 | 115.1 | 168.3 | -82.5 | -177.4 | 168.5 | -155.7 | -1.7 | 103.7 | K339 H343 | K339-R341 VanDerWaalsContact C-N 3.26Å; K339-R341 PolarHBondContact O-N 3.18Å; R341-H343 PolarHBondContact O-CD2 2.86Å; R341-H343 PolarHBondContact O-N 3.42Å | ||
| 342 | Q | 35.1 | Very low | 40.7 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -52.8 | 104.3 | 179.4 | -72.2 | -163.4 | -20.5 | 0 | 0 | 108.3 | S340 T344 | S340-Q342 PolarHBondContact O-N 2.88Å; Q342-T344 PolarHBondContact O-N 3.48Å | ||
| 343 | H | 37.7 | Very low | 41.6 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 73% | 0.731 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -70 | 10.7 | 175.1 | -80 | -90.6 | 0 | 0 | 0 | 111.9 | R341 K345 | R341-H343 PolarHBondContact O-CD2 2.86Å; R341-H343 PolarHBondContact O-N 3.42Å; H343-K345 VanDerWaalsContact C-N 3.27Å; H343-K345 PolarHBondContact O-N 3.42Å |
| 344 | T | 35.3 | Very low | 42.1 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -76 | -7.6 | -179.4 | 44.9 | 0 | 0 | 0 | 0 | 114 | Q342 | Q342-T344 PolarHBondContact O-N 3.48Š|
| 345 | K | 38.2 | Very low | 43 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -92.1 | -6.2 | 176.1 | -80.6 | -170.7 | 176.4 | -176 | 0 | 116.2 | H343 | H343-K345 VanDerWaalsContact C-N 3.27Å; H343-K345 PolarHBondContact O-N 3.42Å |
| 346 | L | 43.2 | Very low | 44.1 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -101.6 | 4.2 | 179.5 | -74.7 | 170.6 | 0 | 0 | 0 | 114.5 | N348 | L346-N348 VanDerWaalsContact C-N 3.29Å; L346-N348 PolarHBondContact O-N 2.86Å |
| 347 | R | 33.4 | Very low | 45.5 | Very low | 206 Ų | 206 | 134.9 Ų | 134.9 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -3.7 | -179.5 | -146.3 | 176.5 | -177.9 | 170.1 | 1.3 | 114.5 | ||
| 348 | N | 37.5 | Very low | 46.7 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 86% | 0.856 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 9.3 | -171.3 | -76.9 | 15.8 | 0 | 0 | 0 | 115.9 | L346 | L346-N348 VanDerWaalsContact C-N 3.29Å; L346-N348 PolarHBondContact O-N 2.86Å |
| 349 | S | 41.9 | Very low | 48.3 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 57% | 0.573 | 67% | 0.666 | S | S | * | * | trans | -116.5 | 69.8 | 167.4 | 53.1 | 0 | 0 | 0 | 0 | 109 | S351 | S349-S351 PolarHBondContact O-N 2.95Š| ||
| 350 | H | 43 | Very low | 50.1 | Low | 178 Ų | 178 | 125.5 Ų | 125.5 | 82% | 0.824 | 66% | 0.655 | S | S | * | * | trans | -66.6 | 80.4 | 153.4 | -76.8 | -42.1 | 0 | 0 | 0 | 107 | ||||
| 351 | S | 47.5 | Very low | 51.9 | Low | 40 Ų | 40 | 123.6 Ų | 123.6 | 28% | 0.28 | 65% | 0.645 | S | S | . | * | trans | -67.6 | 131.6 | 162.3 | 58.2 | 0 | 0 | 0 | 0 | 107.1 | S349 D353 E357 | S349-S351 PolarHBondContact O-N 2.95Å; S351-D353 PolarHBondContact O-N 3.49Å; S351-D353 VanDerWaalsContact O-N 3.11Å; S351-E357 VanDerWaalsContact CB-CD 3.48Å; S351-E357 WeakPolarHBondContact CB-OE1 3.49Å; S351-E357 VanDerWaalsContact OG-CD 3.24Å; S351-E357 PolarHBondContact OG-OE1 3.48Å; S351-E357 PolarHBondContact OG-OE2 3.48Å | ||
| 352 | A | 58.8 | Low | 53.8 | Low | 111 Ų | 111 | 119.3 Ų | 119.3 | 92% | 0.917 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -68.5 | -8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 353 | D | 57.2 | Low | 55.9 | Low | 90 Ų | 90 | 115.5 Ų | 115.5 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | trans | -149.8 | 84.9 | 179.1 | -169.4 | -1.3 | 0 | 0 | 0 | 111.9 | S351 V355 G356 E357 | S351-D353 PolarHBondContact O-N 3.49Å; S351-D353 VanDerWaalsContact O-N 3.11Å; D353-V355 PolarHBondContact O-N 2.78Å; D353-V355 WeakPolarHBondContact OD1-CB 3.49Å; D353-V355 PolarHBondContact OD1-N 2.86Å; D353-V355 VanDerWaalsContact OD1-N 3.14Å; D353-G356 VanDerWaalsContact CG-N 3.34Å; D353-G356 PolarHBondContact O-N 2.83Å; D353-G356 PolarHBondContact OD1-N 2.78Å; D353-E357 PolarHBondContact O-N 3.49Å | ||
| 354 | P | 54.6 | Low | 58 | Low | 87 Ų | 87 | 114.3 Ų | 114.3 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.7 | -22.5 | 176.8 | 25.5 | -34 | 0 | 0 | 0 | 112.5 | L358 | P354-L358 PolarHBondContact O-N 2.69Å; P354-L358 VanDerWaalsContact O-N 3.15Å |
| 355 | V | 61.9 | Low | 59.8 | Low | 107 Ų | 107 | 117.2 Ų | 117.2 | 65% | 0.648 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.7 | -41.4 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | D353 E357 L358 K359 | D353-V355 PolarHBondContact O-N 2.78Å; D353-V355 WeakPolarHBondContact OD1-CB 3.49Å; D353-V355 PolarHBondContact OD1-N 2.86Å; D353-V355 VanDerWaalsContact OD1-N 3.14Å; V355-E357 VanDerWaalsContact C-N 3.34Å; V355-E357 PolarHBondContact O-N 3.23Å; V355-L358 PolarHBondContact O-N 2.87Å; V355-K359 WeakPolarHBondContact O-CB 3.24Å; V355-K359 PolarHBondContact O-N 3.43Å |
| 356 | G | 64.1 | Low | 61.5 | Low | 25 Ų | 25 | 115.6 Ų | 115.6 | 26% | 0.258 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D353 K359 T360 | D353-G356 VanDerWaalsContact CG-N 3.34Å; D353-G356 PolarHBondContact O-N 2.83Å; D353-G356 PolarHBondContact OD1-N 2.78Å; G356-K359 PolarHBondContact O-N 2.85Å; G356-T360 PolarHBondContact O-N 3.46Å; G356-T360 PolarHBondContact O-OG1 3.32Å |
| 357 | E | 70.1 | Confident | 63 | Low | 109 Ų | 109 | 115.1 Ų | 115.1 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.7 | -42.9 | 175.2 | -73.5 | -177.4 | 168.5 | 0 | 0 | 112.3 | S351 D353 V355 K359 T360 A361 | S351-E357 VanDerWaalsContact CB-CD 3.48Å; S351-E357 WeakPolarHBondContact CB-OE1 3.49Å; S351-E357 VanDerWaalsContact OG-CD 3.24Å; S351-E357 PolarHBondContact OG-OE1 3.48Å; S351-E357 PolarHBondContact OG-OE2 3.48Å; D353-E357 PolarHBondContact O-N 3.49Å; V355-E357 VanDerWaalsContact C-N 3.34Å; V355-E357 PolarHBondContact O-N 3.23Å; E357-K359 VanDerWaalsContact C-N 3.33Å; E357-K359 PolarHBondContact O-N 3.43Å; E357-T360 VanDerWaalsContact CA-OG1 3.31Å; E357-T360 WeakPolarHBondContact CA-OG1 3.33Å; E357-T360 PolarHBondContact O-N 2.94Å; E357-T360 PolarHBondContact O-OG1 3.43Å; E357-A361 VanDerWaalsContact O-CB 3.25Å; E357-A361 WeakPolarHBondContact O-CB 3.33Å; E357-A361 PolarHBondContact O-N 2.81Å |
| 358 | L | 68 | Low | 64.9 | Low | 113 Ų | 113 | 111 Ų | 111 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.3 | -42.2 | 175.5 | -176.6 | 63 | 0 | 0 | 0 | 111.1 | P354 V355 A361 M362 | P354-L358 PolarHBondContact O-N 2.69Å; P354-L358 VanDerWaalsContact O-N 3.15Å; V355-L358 PolarHBondContact O-N 2.87Å; L358-A361 PolarHBondContact O-N 3.23Å; L358-M362 HydrophobicContact CD1-CG 4.25Å; L358-M362 HydrophobicContact CG-CG 4.38Å; L358-M362 VanDerWaalsContact O-CB 3.32Å; L358-M362 WeakPolarHBondContact O-CB 3.38Å; L358-M362 WeakPolarHBondContact O-CG 3.29Å; L358-M362 PolarHBondContact O-N 3.21Å |
| 359 | K | 73.2 | Confident | 66 | Low | 164 Ų | 164 | 109.2 Ų | 109.2 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -43.9 | 177.2 | -173.9 | 178.7 | 178.5 | -178.1 | 0 | 111.8 | V355 G356 E357 M362 E363 | V355-K359 WeakPolarHBondContact O-CB 3.24Å; V355-K359 PolarHBondContact O-N 3.43Å; G356-K359 PolarHBondContact O-N 2.85Å; E357-K359 VanDerWaalsContact C-N 3.33Å; E357-K359 PolarHBondContact O-N 3.43Å; K359-M362 PolarHBondContact O-N 3.42Å; K359-E363 VanDerWaalsContact O-CB 3.3Å; K359-E363 WeakPolarHBondContact O-CB 3.28Å; K359-E363 PolarHBondContact O-N 2.9Å |
| 360 | T | 76.7 | Confident | 67.1 | Low | 95 Ų | 95 | 111.2 Ų | 111.2 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69 | -37.1 | 176.8 | 37.9 | 0 | 0 | 0 | 0 | 112.4 | G356 E357 E363 K364 | G356-T360 PolarHBondContact O-N 3.46Å; G356-T360 PolarHBondContact O-OG1 3.32Å; E357-T360 VanDerWaalsContact CA-OG1 3.31Å; E357-T360 WeakPolarHBondContact CA-OG1 3.33Å; E357-T360 PolarHBondContact O-N 2.94Å; E357-T360 PolarHBondContact O-OG1 3.43Å; T360-E363 PolarHBondContact O-N 3.05Å; T360-K364 VanDerWaalsContact O-CB 3.29Å; T360-K364 WeakPolarHBondContact O-CB 3.44Å; T360-K364 PolarHBondContact O-N 3.36Å |
| 361 | A | 77.2 | Confident | 67.9 | Low | 56 Ų | 56 | 105.2 Ų | 105.2 | 46% | 0.463 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E357 L358 K364 R365 | E357-A361 VanDerWaalsContact O-CB 3.25Å; E357-A361 WeakPolarHBondContact O-CB 3.33Å; E357-A361 PolarHBondContact O-N 2.81Å; L358-A361 PolarHBondContact O-N 3.23Å; A361-K364 PolarHBondContact O-N 2.92Å; A361-R365 WeakPolarHBondContact O-CB 3.27Å; A361-R365 PolarHBondContact O-N 3.44Å |
| 362 | M | 75.2 | Confident | 68 | Low | 129 Ų | 129 | 113 Ų | 113 | 64% | 0.635 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -42.5 | 175.2 | -73.8 | -69.6 | -68.8 | 0 | 0 | 111.7 | L358 K359 R365 R366 | L358-M362 HydrophobicContact CD1-CG 4.25Å; L358-M362 HydrophobicContact CG-CG 4.38Å; L358-M362 VanDerWaalsContact O-CB 3.32Å; L358-M362 WeakPolarHBondContact O-CB 3.38Å; L358-M362 WeakPolarHBondContact O-CG 3.29Å; L358-M362 PolarHBondContact O-N 3.21Å; K359-M362 PolarHBondContact O-N 3.42Å; M362-R365 WeakPolarHBondContact O-CB 3.33Å; M362-R365 PolarHBondContact O-N 2.94Å; M362-R366 WeakPolarHBondContact O-CB 3.24Å; M362-R366 PolarHBondContact O-N 3.26Å |
| 363 | E | 78.9 | Confident | 67.4 | Low | 85 Ų | 85 | 112.2 Ų | 112.2 | 40% | 0.397 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.2 | -39.6 | 176.4 | -176.3 | 57.7 | -154.4 | 0 | 0 | 111.7 | K359 T360 R366 K367 | K359-E363 VanDerWaalsContact O-CB 3.3Å; K359-E363 WeakPolarHBondContact O-CB 3.28Å; K359-E363 PolarHBondContact O-N 2.9Å; T360-E363 PolarHBondContact O-N 3.05Å; E363-R366 WeakPolarHBondContact O-CB 3.49Å; E363-R366 PolarHBondContact O-N 3.01Å; E363-K367 PolarHBondContact O-N 3.43Å |
| 364 | K | 81.1 | Confident | 66.7 | Low | 133 Ų | 133 | 115.9 Ų | 115.9 | 58% | 0.578 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.6 | -47.3 | 172.7 | -174.7 | -176.6 | 176.6 | -174.8 | 0 | 111.2 | T360 A361 R366 K367 E368 | T360-K364 VanDerWaalsContact O-CB 3.29Å; T360-K364 WeakPolarHBondContact O-CB 3.44Å; T360-K364 PolarHBondContact O-N 3.36Å; A361-K364 PolarHBondContact O-N 2.92Å; K364-R366 VanDerWaalsContact C-N 3.29Å; K364-R366 PolarHBondContact O-N 3.04Å; K364-K367 PolarHBondContact O-N 2.89Å; K364-E368 WeakPolarHBondContact CE-OE1 3.39Å; K364-E368 PolarHBondContact O-N 3.19Å |
| 365 | R | 74.4 | Confident | 65.9 | Low | 165 Ų | 165 | 115.4 Ų | 115.4 | 62% | 0.623 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.1 | -41.6 | 175.9 | -169.3 | 106.3 | -179.8 | 161.9 | -1 | 111.4 | A361 M362 E368 I369 | A361-R365 WeakPolarHBondContact O-CB 3.27Å; A361-R365 PolarHBondContact O-N 3.44Å; M362-R365 WeakPolarHBondContact O-CB 3.33Å; M362-R365 PolarHBondContact O-N 2.94Å; R365-E368 PolarHBondContact O-N 3.36Å; R365-I369 HydrophobicContact CG-CD1 3.87Å; R365-I369 WeakPolarHBondContact O-CD1 3.48Å; R365-I369 VanDerWaalsContact O-CG1 3.25Å; R365-I369 WeakPolarHBondContact O-CG1 3.39Å; R365-I369 PolarHBondContact O-N 2.91Å |
| 366 | R | 73.2 | Confident | 64.6 | Low | 158 Ų | 158 | 118.7 Ų | 118.7 | 60% | 0.596 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.5 | -41.9 | 176.9 | -170.4 | -178.4 | 178.6 | -173.9 | 1.5 | 111.4 | M362 E363 K364 I369 M370 | M362-R366 WeakPolarHBondContact O-CB 3.24Å; M362-R366 PolarHBondContact O-N 3.26Å; E363-R366 WeakPolarHBondContact O-CB 3.49Å; E363-R366 PolarHBondContact O-N 3.01Å; K364-R366 VanDerWaalsContact C-N 3.29Å; K364-R366 PolarHBondContact O-N 3.04Å; R366-I369 PolarHBondContact O-N 3.4Å; R366-M370 HydrophobicContact CG-CG 4.29Å; R366-M370 VanDerWaalsContact O-CB 3.27Å; R366-M370 WeakPolarHBondContact O-CB 3.43Å; R366-M370 WeakPolarHBondContact O-CG 3.38Å; R366-M370 PolarHBondContact O-N 3.41Å |
| 367 | K | 75.4 | Confident | 63.2 | Low | 124 Ų | 124 | 126 Ų | 126 | 54% | 0.539 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 175.3 | -74.9 | -176.7 | 179.4 | -178.1 | 0 | 112.9 | E363 K364 M370 G371 | E363-K367 PolarHBondContact O-N 3.43Å; K364-K367 PolarHBondContact O-N 2.89Å; K367-M370 PolarHBondContact O-N 3.31Å; K367-G371 PolarHBondContact O-N 3.27Å |
| 368 | E | 72.8 | Confident | 61.9 | Low | 119 Ų | 119 | 125.2 Ų | 125.2 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63 | -44.3 | 175.1 | -75.3 | 173.3 | -172.7 | 0 | 0 | 111.7 | K364 R365 G371 | K364-E368 WeakPolarHBondContact CE-OE1 3.39Å; K364-E368 PolarHBondContact O-N 3.19Å; R365-E368 PolarHBondContact O-N 3.36Å; E368-G371 PolarHBondContact O-N 3.06Å |
| 369 | I | 61.1 | Low | 60.6 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.5 | -40.4 | 177.9 | -67.3 | 164.4 | 0 | 0 | 0 | 111.2 | R365 R366 G371 | R365-I369 HydrophobicContact CG-CD1 3.87Å; R365-I369 WeakPolarHBondContact O-CD1 3.48Å; R365-I369 VanDerWaalsContact O-CG1 3.25Å; R365-I369 WeakPolarHBondContact O-CG1 3.39Å; R365-I369 PolarHBondContact O-N 2.91Å; R366-I369 PolarHBondContact O-N 3.4Å; I369-G371 PolarHBondContact O-N 3.2Å |
| 370 | M | 65.5 | Low | 59 | Low | 123 Ų | 123 | 121.8 Ų | 121.8 | 61% | 0.606 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 4.2 | -178.8 | -67 | -71.3 | -74.8 | 0 | 0 | 113.1 | R366 K367 R372 | R366-M370 HydrophobicContact CG-CG 4.29Å; R366-M370 VanDerWaalsContact O-CB 3.27Å; R366-M370 WeakPolarHBondContact O-CB 3.43Å; R366-M370 WeakPolarHBondContact O-CG 3.38Å; R366-M370 PolarHBondContact O-N 3.41Å; K367-M370 PolarHBondContact O-N 3.31Å; M370-R372 PolarHBondContact O-N 2.84Å |
| 371 | G | 58.3 | Low | 57.9 | Low | 52 Ų | 52 | 120.5 Ų | 120.5 | 54% | 0.536 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.7 | 14.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K367 E368 I369 S373 | K367-G371 PolarHBondContact O-N 3.27Å; E368-G371 PolarHBondContact O-N 3.06Å; I369-G371 PolarHBondContact O-N 3.2Å; G371-S373 PolarHBondContact O-N 3.3Å |
| 372 | R | 49.4 | Very low | 56.5 | Low | 203 Ų | 203 | 122.9 Ų | 122.9 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | trans | -83.8 | 62.4 | 176.7 | -72.8 | -171.6 | 175.4 | -161.1 | -1 | 109.4 | M370 N374 | M370-R372 PolarHBondContact O-N 2.84Å; R372-N374 PolarHBondContact O-N 3.08Å | ||
| 373 | S | 48 | Very low | 55.2 | Low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | trans | -68 | 126.3 | 160.4 | 44.5 | 0 | 0 | 0 | 0 | 107.8 | G371 G375 | G371-S373 PolarHBondContact O-N 3.3Å; S373-G375 PolarHBondContact O-N 2.85Å | ||
| 374 | N | 41.4 | Very low | 54 | Low | 167 Ų | 167 | 120 Ų | 120 | 89% | 0.893 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 113.8 | 177.3 | -64.9 | -34.7 | 0 | 0 | 0 | 109.4 | R372 | R372-N374 PolarHBondContact O-N 3.08Š|
| 375 | G | 38.1 | Very low | 52.7 | Low | 77 Ų | 77 | 116.4 Ų | 116.4 | 79% | 0.794 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66 | 63.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S373 | S373-G375 PolarHBondContact O-N 2.85Š|
| 376 | E | 34.1 | Very low | 51.7 | Low | 176 Ų | 176 | 113.9 Ų | 113.9 | 82% | 0.822 | 63% | 0.633 | S | S | * | * | trans | -150.2 | 113 | 144.7 | -121.4 | 168.3 | -175.1 | 0 | 0 | 108.1 | S378 | E376-S378 PolarHBondContact O-N 3.27Š| ||
| 377 | I | 35.4 | Very low | 51 | Low | 178 Ų | 178 | 113 Ų | 113 | 91% | 0.913 | 63% | 0.634 | S | S | * | * | trans | -73.9 | 83.3 | -179.5 | -57.1 | 146.4 | 0 | 0 | 0 | 105.8 | ||||
| 378 | S | 42.2 | Very low | 50.3 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | trans | -108.2 | 106.4 | 162.2 | -165.1 | 0 | 0 | 0 | 0 | 106.7 | E376 E380 | E376-S378 PolarHBondContact O-N 3.27Å; S378-E380 PolarHBondContact O-N 3.27Å | ||
| 379 | S | 42 | Very low | 49.5 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | trans | -72.7 | 45.6 | -179 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 380 | E | 39.3 | Very low | 49.1 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 41% | 0.407 | 65% | 0.647 | S | S | . | * | trans | -89.3 | 112.9 | 171.8 | -138.5 | 173.6 | -174.9 | 0 | 0 | 106.9 | S378 T382 E384 R388 | S378-E380 PolarHBondContact O-N 3.27Å; E380-T382 PolarHBondContact O-N 3.03Å; E380-E384 HydrophobicContact CG-CB 3.96Å; E380-R388 IonicContact OE1-CZ 2.89Å; E380-R388 IonicContact OE1-NE 3.84Å; E380-R388 IonicContact OE1-NH2 3.54Å; E380-R388 PolarHBondContact OE1-NH2 2.92Å; E380-R388 IonicContact OE2-NH2 3.36Å | ||
| 381 | S | 52.1 | Low | 48.6 | Very low | 67 Ų | 67 | 116.2 Ų | 116.2 | 47% | 0.469 | 64% | 0.642 | S | S | . | * | trans | -57.4 | 139.2 | -178.8 | 173.9 | 0 | 0 | 0 | 0 | 109.2 | A383 E384 A385 | S381-A383 CarbonylContact O-C 3.59Å; S381-A383 PolarHBondContact O-N 3.22Å; S381-E384 PolarHBondContact O-N 3.38Å; S381-A385 PolarHBondContact O-N 2.98Å | ||
| 382 | T | 49.6 | Very low | 48.3 | Very low | 106 Ų | 106 | 117.6 Ų | 117.6 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -47.1 | -26.3 | 174.9 | 9.8 | 0 | 0 | 0 | 0 | 113.6 | E380 L386 | E380-T382 PolarHBondContact O-N 3.03Å; T382-L386 WeakPolarHBondContact O-CG 3.37Å; T382-L386 PolarHBondContact O-N 3.01Å |
| 383 | A | 47.7 | Very low | 48 | Very low | 49 Ų | 49 | 114.6 Ų | 114.6 | 41% | 0.405 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64.8 | -43.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S381 L386 F387 | S381-A383 CarbonylContact O-C 3.59Å; S381-A383 PolarHBondContact O-N 3.22Å; A383-L386 WeakPolarHBondContact O-CB 3.44Å; A383-L386 PolarHBondContact O-N 3.1Å; A383-F387 WeakPolarHBondContact O-CD2 3.34Å; A383-F387 PolarHBondContact O-N 2.94Å |
| 384 | E | 52 | Low | 47.6 | Very low | 104 Ų | 104 | 115 Ų | 115 | 49% | 0.486 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.4 | -38 | 179 | -93.3 | 160.4 | 146.4 | 0 | 0 | 112.6 | E380 S381 L386 F387 R388 | E380-E384 HydrophobicContact CG-CB 3.96Å; S381-E384 PolarHBondContact O-N 3.38Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.71Å; E384-F387 PolarHBondContact O-N 3.1Å; E384-R388 PolarHBondContact O-N 3.11Å |
| 385 | A | 53.8 | Low | 47.4 | Very low | 59 Ų | 59 | 112 Ų | 112 | 49% | 0.488 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62.3 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S381 R389 | S381-A385 PolarHBondContact O-N 2.98Å; A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 PolarHBondContact O-N 3.34Å |
| 386 | L | 54.1 | Low | 47.6 | Very low | 111 Ų | 111 | 114 Ų | 114 | 58% | 0.581 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.3 | -43.5 | 173.3 | -74.7 | 172.3 | 0 | 0 | 0 | 111.7 | T382 A383 E384 R389 L390 | T382-L386 WeakPolarHBondContact O-CG 3.37Å; T382-L386 PolarHBondContact O-N 3.01Å; A383-L386 WeakPolarHBondContact O-CB 3.44Å; A383-L386 PolarHBondContact O-N 3.1Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.71Å; L386-R389 PolarHBondContact O-N 3.15Å; L386-L390 WeakPolarHBondContact O-CG 3.41Å; L386-L390 PolarHBondContact O-N 3.44Å |
| 387 | F | 58.2 | Low | 47.6 | Very low | 141 Ų | 141 | 113.4 Ų | 113.4 | 62% | 0.618 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.2 | -49.7 | 176.8 | -95.2 | -74.4 | 0 | 0 | 0 | 111.4 | A383 E384 R389 L390 S391 | A383-F387 WeakPolarHBondContact O-CD2 3.34Å; A383-F387 PolarHBondContact O-N 2.94Å; E384-F387 PolarHBondContact O-N 3.1Å; F387-R389 VanDerWaalsContact C-N 3.27Å; F387-R389 PolarHBondContact O-N 3.38Å; F387-L390 CarbonylContact O-C 3.59Å; F387-L390 WeakPolarHBondContact O-CB 3.47Å; F387-L390 PolarHBondContact O-N 3.23Å; F387-L390 VanDerWaalsContact O-N 3.08Å; F387-S391 PolarHBondContact O-N 2.78Å; F387-S391 PolarHBondContact O-OG 3.36Å |
| 388 | R | 61 | Low | 47.5 | Very low | 167 Ų | 167 | 108.9 Ų | 108.9 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -57.8 | -39.1 | 174.9 | -93.4 | -161.9 | -151.9 | 167 | 19.2 | 112.9 | E380 E384 L390 S391 A392 | E380-R388 IonicContact OE1-CZ 2.89Å; E380-R388 IonicContact OE1-NE 3.84Å; E380-R388 IonicContact OE1-NH2 3.54Å; E380-R388 PolarHBondContact OE1-NH2 2.92Å; E380-R388 IonicContact OE2-NH2 3.36Å; E384-R388 PolarHBondContact O-N 3.11Å; R388-L390 VanDerWaalsContact C-N 3.27Å; R388-L390 PolarHBondContact O-N 3.29Å; R388-S391 PolarHBondContact O-N 3.32Å; R388-A392 WeakPolarHBondContact O-CB 3.38Å; R388-A392 PolarHBondContact O-N 2.99Å |
| 389 | R | 56.9 | Low | 47.2 | Very low | 197 Ų | 197 | 112.2 Ų | 112.2 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.2 | -30.7 | -179.6 | -159.9 | 173.3 | -176.2 | 149.8 | 2.5 | 111.9 | A385 L386 F387 | A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 PolarHBondContact O-N 3.34Å; L386-R389 PolarHBondContact O-N 3.15Å; F387-R389 VanDerWaalsContact C-N 3.27Å; F387-R389 PolarHBondContact O-N 3.38Å |
| 390 | L | 50.9 | Low | 46.6 | Very low | 122 Ų | 122 | 115 Ų | 115 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.2 | -41 | 170.9 | -67.8 | 169.9 | 0 | 0 | 0 | 111.4 | L386 F387 R388 A392 N393 | L386-L390 WeakPolarHBondContact O-CG 3.41Å; L386-L390 PolarHBondContact O-N 3.44Å; F387-L390 CarbonylContact O-C 3.59Å; F387-L390 WeakPolarHBondContact O-CB 3.47Å; F387-L390 PolarHBondContact O-N 3.23Å; F387-L390 VanDerWaalsContact O-N 3.08Å; R388-L390 VanDerWaalsContact C-N 3.27Å; R388-L390 PolarHBondContact O-N 3.29Å; L390-A392 VanDerWaalsContact C-N 3.34Å; L390-A392 PolarHBondContact O-N 3.36Å; L390-N393 PolarHBondContact O-N 2.93Å |
| 391 | S | 55.5 | Low | 46.2 | Very low | 70 Ų | 70 | 114.1 Ų | 114.1 | 49% | 0.49 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.9 | -31.8 | 177.7 | -51.9 | 0 | 0 | 0 | 0 | 113.1 | F387 R388 N393 V394 | F387-S391 PolarHBondContact O-N 2.78Å; F387-S391 PolarHBondContact O-OG 3.36Å; R388-S391 PolarHBondContact O-N 3.32Å; S391-N393 PolarHBondContact O-N 3.39Å; S391-V394 WeakPolarHBondContact O-CB 3.24Å; S391-V394 PolarHBondContact O-N 3.18Å |
| 392 | A | 51.7 | Low | 45.1 | Very low | 82 Ų | 82 | 115.5 Ų | 115.5 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -12.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R388 L390 | R388-A392 WeakPolarHBondContact O-CB 3.38Å; R388-A392 PolarHBondContact O-N 2.99Å; L390-A392 VanDerWaalsContact C-N 3.34Å; L390-A392 PolarHBondContact O-N 3.36Å |
| 393 | N | 43.2 | Very low | 44.3 | Very low | 140 Ų | 140 | 117.9 Ų | 117.9 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 4.6 | 170.6 | -77.2 | -29.3 | 0 | 0 | 0 | 113.3 | L390 S391 P395 | L390-N393 PolarHBondContact O-N 2.93Å; S391-N393 PolarHBondContact O-N 3.39Å; N393-P395 WeakPolarHBondContact O-CD 3.44Å |
| 394 | V | 40.2 | Very low | 43.5 | Very low | 103 Ų | 103 | 119 Ų | 119 | 62% | 0.624 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -86.4 | 117.2 | 168.2 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | S391 S396 | S391-V394 WeakPolarHBondContact O-CB 3.24Å; S391-V394 PolarHBondContact O-N 3.18Å; V394-S396 PolarHBondContact O-N 2.92Å |
| 395 | P | 37.5 | Very low | 42.4 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | trans | -57.5 | 125.1 | -178.3 | 20.5 | -30.4 | 0 | 0 | 0 | 110.7 | N393 N397 | N393-P395 WeakPolarHBondContact O-CD 3.44Å; P395-N397 PolarHBondContact O-N 2.98Å | ||
| 396 | S | 42.8 | Very low | 41.4 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 26.3 | -176.7 | 32 | 0 | 0 | 0 | 0 | 115.1 | V394 | V394-S396 PolarHBondContact O-N 2.92Š|
| 397 | N | 33.6 | Very low | 40.3 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 6.4 | 179.7 | -88.9 | 3.4 | 0 | 0 | 0 | 114.8 | P395 | P395-N397 PolarHBondContact O-N 2.98Š|
| 398 | A | 33.5 | Very low | 39.3 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -103.8 | -12.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 399 | L | 35.4 | Very low | 37.8 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -141.3 | 61.7 | -170.6 | -75.2 | 162.1 | 0 | 0 | 0 | 112.7 | G401 | L399-G401 PolarHBondContact O-N 2.87Š| ||
| 400 | N | 30.2 | Very low | 36.8 | Very low | 177 Ų | 177 | 122.4 Ų | 122.4 | 95% | 0.947 | 76% | 0.758 | S | S | * | * | trans | -83.2 | 80.5 | 149.5 | -85.9 | -9.1 | 0 | 0 | 0 | 107.5 | ||||
| 401 | G | 30.3 | Very low | 36 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -132.8 | 79.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | L399 | L399-G401 PolarHBondContact O-N 2.87Š| ||
| 402 | S | 28.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -74.4 | 155.3 | 174.3 | 66.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 403 | D | 32.4 | Very low | 34.3 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 84.2 | 100.1 | 155.2 | -46.2 | -39.3 | 0 | 0 | 0 | 117.2 | ||||
| 404 | G | 31.8 | Very low | 34.3 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -172.2 | 39.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S406 | G404-S406 PolarHBondContact O-N 3.08Å; G404-S406 VanDerWaalsContact O-N 3.11Å | ||
| 405 | E | 28.3 | Very low | 34.1 | Very low | 206 Ų | 206 | 130.6 Ų | 130.6 | 96% | 0.963 | 79% | 0.785 | S | S | * | * | trans | -65.3 | 103.1 | 160.7 | -87.9 | -177.2 | 124.6 | 0 | 0 | 108.5 | ||||
| 406 | S | 33.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -140.6 | 99.5 | 154.2 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | G404 S408 | G404-S406 PolarHBondContact O-N 3.08Å; G404-S406 VanDerWaalsContact O-N 3.11Å; S406-S408 PolarHBondContact O-N 3.34Å | ||
| 407 | S | 29.9 | Very low | 33.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -46.1 | 120.3 | 160 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 408 | S | 38.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -144.1 | 95.6 | 159.5 | -75.7 | 0 | 0 | 0 | 0 | 107.8 | S406 S410 | S406-S408 PolarHBondContact O-N 3.34Å; S408-S410 PolarHBondContact O-N 3.1Å | ||
| 409 | K | 28.4 | Very low | 33.7 | Very low | 211 Ų | 211 | 143.4 Ų | 143.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -73.9 | 95 | 170.3 | -174 | 163 | -178.3 | 159.6 | 0 | 106.8 | ||||
| 410 | S | 37.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -107.4 | 104.5 | 168.9 | 56.2 | 0 | 0 | 0 | 0 | 108.9 | S408 | S408-S410 PolarHBondContact O-N 3.1Š| ||
| 411 | N | 33.2 | Very low | 33.8 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -63.8 | 123.6 | 161.3 | -125.4 | 27.5 | 0 | 0 | 0 | 107.5 | ||||
| 412 | S | 39.9 | Very low | 34 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | trans | -147.9 | 77.3 | 158.7 | 64.2 | 0 | 0 | 0 | 0 | 107.6 | D414 | S412-D414 PolarHBondContact O-N 3.39Š| ||
| 413 | D | 32.9 | Very low | 34.4 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -64.2 | 102.6 | 146.7 | -77.8 | -44 | 0 | 0 | 0 | 105.7 | ||||
| 414 | D | 41.9 | Very low | 34.5 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -149.4 | 108.8 | 162.8 | -85.5 | -43.9 | 0 | 0 | 0 | 110 | S412 | S412-D414 PolarHBondContact O-N 3.39Š| ||
| 415 | E | 37.2 | Very low | 34.7 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | 61.9 | 92.2 | 139.6 | -67.2 | -174.8 | 135.7 | 0 | 0 | 119.7 | S417 | E415-S417 VanDerWaalsContact C-N 3.3Å; E415-S417 PolarHBondContact O-N 3.04Å; E415-S417 VanDerWaalsContact O-N 3.1Å | ||
| 416 | W | 32.8 | Very low | 35.2 | Very low | 265 Ų | 265 | 148.5 Ų | 148.5 | 100% | 1.004 | 82% | 0.816 | S | S | * | * | trans | -66.5 | 90 | 142.6 | -67.3 | 58.2 | 0 | 0 | 0 | 108.8 | ||||
| 417 | S | 35.2 | Very low | 35.3 | Very low | 88 Ų | 88 | 152.4 Ų | 152.4 | 62% | 0.615 | 83% | 0.825 | S | S | * | * | trans | -141.1 | 80.1 | 165.7 | -74.3 | 0 | 0 | 0 | 0 | 109.8 | E415 | E415-S417 VanDerWaalsContact C-N 3.3Å; E415-S417 PolarHBondContact O-N 3.04Å; E415-S417 VanDerWaalsContact O-N 3.1Å | ||
| 418 | N | 37 | Very low | 35.8 | Very low | 244 Ų | 244 | 155.4 Ų | 155.4 | 100% | 1.305 | 82% | 0.824 | S | S | * | * | trans | -175.9 | 0 | 136.3 | -97.9 | -18.3 | 0 | 0 | 0 | 111.8 |
Retrieved 418 of 418 residues in 162.1 ms
(Link to these results)