| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.4 | Very low | 49 | Very low | 236 Ų | 236 | 154.9 Ų | 154.9 | 100% | 1.163 | 82% | 0.821 | S | S | * | * | 0 | 144.8 | 0 | -81.3 | -178.5 | 128.3 | 0 | 0 | 108.1 | |||||
| 2 | T | 45.3 | Very low | 48.9 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | 68.9 | 95.3 | 165.5 | 56.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3 | S | 49 | Very low | 49.5 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -57.4 | 159.2 | 140.2 | -53.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | P | 54.4 | Low | 50.1 | Low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -112.6 | 129.3 | 137.2 | 26.5 | -12.9 | 0 | 0 | 0 | 110.6 | ||||
| 5 | H | 53.3 | Low | 50.8 | Low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -72.8 | 163.9 | 160.7 | -151.9 | -70.3 | 0 | 0 | 0 | 109.2 | ||||
| 6 | F | 44.8 | Very low | 51.9 | Low | 190 Ų | 190 | 137.1 Ų | 137.1 | 83% | 0.833 | 75% | 0.748 | S | S | * | * | trans | 112.6 | 131.3 | 170.8 | -85.8 | -107.6 | 0 | 0 | 0 | 112.8 | ||||
| 7 | S | 47.3 | Very low | 53.1 | Low | 68 Ų | 68 | 133.1 Ų | 133.1 | 48% | 0.476 | 73% | 0.733 | S | S | . | * | cis | -168.6 | 100.9 | -6 | 177.8 | 0 | 0 | 0 | 0 | 103.9 | Y9 | S7-Y9 PolarHBondContact O-N 3.12Å; S7-Y9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | S | 43.2 | Very low | 54.2 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | -65.1 | 110 | 163.5 | 44.7 | 0 | 0 | 0 | 0 | 106.4 | D10 | S8-D10 PolarHBondContact O-N 3Š| ||
| 9 | Y | 49.5 | Very low | 55.5 | Low | 212 Ų | 212 | 128.8 Ų | 128.8 | 83% | 0.831 | 72% | 0.715 | S | S | * | * | trans | -56.9 | 108.7 | 167.9 | -73.7 | -88.7 | 0 | 0 | 0 | 107.6 | S7 E11 | S7-Y9 PolarHBondContact O-N 3.12Å; S7-Y9 VanDerWaalsContact O-N 3.12Å; Y9-E11 VanDerWaalsContact C-N 3.29Å; Y9-E11 PolarHBondContact O-N 3.1Å; Y9-E11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | D | 51.5 | Low | 56.8 | Low | 153 Ų | 153 | 125.3 Ų | 125.3 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -74.6 | 84.8 | 170.2 | -165 | 17.7 | 0 | 0 | 0 | 106.8 | S8 G12 | S8-D10 PolarHBondContact O-N 3Å; D10-G12 PolarHBondContact O-N 3.22Å | ||
| 11 | E | 52.4 | Low | 58 | Low | 173 Ų | 173 | 122.4 Ų | 122.4 | 81% | 0.808 | 69% | 0.688 | S | S | * | * | trans | -75.3 | 99.1 | 160.9 | -87.3 | -144.6 | 162.5 | 0 | 0 | 107.8 | Y9 | Y9-E11 VanDerWaalsContact C-N 3.29Å; Y9-E11 PolarHBondContact O-N 3.1Å; Y9-E11 VanDerWaalsContact O-N 3.1Å | ||
| 12 | G | 47.4 | Very low | 59.9 | Low | 27 Ų | 27 | 115.6 Ų | 115.6 | 28% | 0.278 | 66% | 0.656 | S | S | . | * | trans | -66.2 | 152.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D10 L14 D15 | D10-G12 PolarHBondContact O-N 3.22Å; G12-L14 PolarHBondContact O-N 2.97Å; G12-D15 PolarHBondContact O-N 3.49Å | ||
| 13 | P | 57.2 | Low | 62 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -57 | -12.9 | 173.6 | -23.9 | 32.3 | 0 | 0 | 0 | 116.1 | S17 | P13-S17 PolarHBondContact O-N 3.31Å |
| 14 | L | 58 | Low | 63.9 | Low | 135 Ų | 135 | 114.5 Ų | 114.5 | 71% | 0.707 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.7 | -29.8 | -178 | -65.9 | 170.3 | 0 | 0 | 0 | 112.8 | G12 S17 M18 | G12-L14 PolarHBondContact O-N 2.97Å; L14-S17 PolarHBondContact O-N 3.39Å; L14-M18 PolarHBondContact O-N 2.95Å |
| 15 | D | 60.2 | Low | 65.7 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 57% | 0.567 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.5 | -36.2 | -179.1 | -154.1 | 30.9 | 0 | 0 | 0 | 111.4 | G12 M18 A19 | G12-D15 PolarHBondContact O-N 3.49Å; D15-M18 PolarHBondContact O-N 2.88Å; D15-A19 VanDerWaalsContact O-CB 3.31Å; D15-A19 WeakPolarHBondContact O-CB 3.47Å; D15-A19 PolarHBondContact O-N 3.43Å |
| 16 | V | 68.5 | Low | 67.6 | Low | 111 Ų | 111 | 110.9 Ų | 110.9 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.1 | -37.9 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | A19 A20 | V16-A19 PolarHBondContact O-N 3.47Å; V16-A20 WeakPolarHBondContact O-CB 3.31Å; V16-A20 PolarHBondContact O-N 3.03Å |
| 17 | S | 72.6 | Confident | 69.9 | Low | 70 Ų | 70 | 106.3 Ų | 106.3 | 49% | 0.49 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.3 | -41.1 | 176.5 | -176 | 0 | 0 | 0 | 0 | 112.2 | P13 L14 A20 T21 | P13-S17 PolarHBondContact O-N 3.31Å; L14-S17 PolarHBondContact O-N 3.39Å; S17-A20 PolarHBondContact O-N 3.36Å; S17-T21 WeakPolarHBondContact O-CG2 3.33Å; S17-T21 PolarHBondContact O-N 3.38Å; S17-T21 VanDerWaalsContact O-N 3.09Å; S17-T21 PolarHBondContact O-OG1 3.03Å; S17-T21 VanDerWaalsContact O-OG1 3.08Å |
| 18 | M | 72.8 | Confident | 72.1 | Confident | 125 Ų | 125 | 107.4 Ų | 107.4 | 62% | 0.616 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.8 | -38.1 | 173.1 | -81.4 | -160.3 | -85.2 | 0 | 0 | 112.4 | L14 D15 T21 N22 | L14-M18 PolarHBondContact O-N 2.95Å; D15-M18 PolarHBondContact O-N 2.88Å; M18-T21 WeakPolarHBondContact CA-OG1 3.38Å; M18-T21 PolarHBondContact O-OG1 3.49Å; M18-N22 WeakPolarHBondContact O-CB 3.39Å; M18-N22 PolarHBondContact O-N 3.46Å |
| 19 | A | 78.3 | Confident | 74.5 | Confident | 60 Ų | 60 | 104.8 Ų | 104.8 | 50% | 0.496 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.3 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D15 V16 N22 L23 | D15-A19 VanDerWaalsContact O-CB 3.31Å; D15-A19 WeakPolarHBondContact O-CB 3.47Å; D15-A19 PolarHBondContact O-N 3.43Å; V16-A19 PolarHBondContact O-N 3.47Å; A19-N22 PolarHBondContact O-N 2.95Å; A19-L23 PolarHBondContact O-N 3.49Å |
| 20 | A | 81.3 | Confident | 76.6 | Confident | 58 Ų | 58 | 97.4 Ų | 97.4 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V16 S17 N22 L23 E24 | V16-A20 WeakPolarHBondContact O-CB 3.31Å; V16-A20 PolarHBondContact O-N 3.03Å; S17-A20 PolarHBondContact O-N 3.36Å; A20-N22 VanDerWaalsContact C-N 3.33Å; A20-N22 PolarHBondContact O-N 3.08Å; A20-L23 PolarHBondContact O-N 2.97Å; A20-E24 PolarHBondContact O-N 3.31Å |
| 21 | T | 83.6 | Confident | 78.7 | Confident | 65 Ų | 65 | 95.3 Ų | 95.3 | 40% | 0.399 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -34.2 | 175.8 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | S17 M18 E24 N25 | S17-T21 WeakPolarHBondContact O-CG2 3.33Å; S17-T21 PolarHBondContact O-N 3.38Å; S17-T21 VanDerWaalsContact O-N 3.09Å; S17-T21 PolarHBondContact O-OG1 3.03Å; S17-T21 VanDerWaalsContact O-OG1 3.08Å; M18-T21 WeakPolarHBondContact CA-OG1 3.38Å; M18-T21 PolarHBondContact O-OG1 3.49Å; T21-E24 PolarHBondContact O-N 2.85Å; T21-N25 WeakPolarHBondContact O-CB 3.24Å; T21-N25 VanDerWaalsContact O-CG 3.22Å; T21-N25 PolarHBondContact O-N 3.27Å; T21-N25 PolarHBondContact O-ND2 3Å |
| 22 | N | 87 | Confident | 80.8 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 173.7 | -154.2 | -60.1 | 0 | 0 | 0 | 111.7 | M18 A19 A20 N25 Q26 | M18-N22 WeakPolarHBondContact O-CB 3.39Å; M18-N22 PolarHBondContact O-N 3.46Å; A19-N22 PolarHBondContact O-N 2.95Å; A20-N22 VanDerWaalsContact C-N 3.33Å; A20-N22 PolarHBondContact O-N 3.08Å; N22-N25 PolarHBondContact O-N 2.83Å; N22-Q26 WeakPolarHBondContact O-CG 3.28Å; N22-Q26 PolarHBondContact O-N 2.98Å; N22-Q26 PolarHBondContact OD1-NE2 3.09Å |
| 23 | L | 89.5 | Confident | 83.1 | Confident | 114 Ų | 114 | 97.7 Ų | 97.7 | 60% | 0.597 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 176.4 | -171.9 | 65.8 | 0 | 0 | 0 | 112.2 | A19 A20 N25 Q26 L27 | A19-L23 PolarHBondContact O-N 3.49Å; A20-L23 PolarHBondContact O-N 2.97Å; L23-N25 VanDerWaalsContact C-N 3.34Å; L23-Q26 PolarHBondContact O-N 2.8Å; L23-L27 WeakPolarHBondContact O-CB 3.38Å; L23-L27 PolarHBondContact O-N 2.99Å |
| 24 | E | 89.4 | Confident | 85 | Confident | 117 Ų | 117 | 97.3 Ų | 97.3 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 175.3 | -172 | 173.7 | -171.5 | 0 | 0 | 112 | A20 T21 L27 H28 | A20-E24 PolarHBondContact O-N 3.31Å; T21-E24 PolarHBondContact O-N 2.85Å; E24-L27 PolarHBondContact O-N 3.31Å; E24-H28 WeakPolarHBondContact O-CB 3.46Å; E24-H28 PolarHBondContact O-N 2.9Å; E24-H28 PolarHBondContact O-ND1 2.87Å; E24-H28 VanDerWaalsContact O-ND1 3.1Å |
| 25 | N | 91.7 | Very high | 86.8 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.7 | -39.5 | 172.7 | -74.9 | -38.5 | 0 | 0 | 0 | 112.1 | T21 N22 L23 H28 S29 | T21-N25 WeakPolarHBondContact O-CB 3.24Å; T21-N25 VanDerWaalsContact O-CG 3.22Å; T21-N25 PolarHBondContact O-N 3.27Å; T21-N25 PolarHBondContact O-ND2 3Å; N22-N25 PolarHBondContact O-N 2.83Å; L23-N25 VanDerWaalsContact C-N 3.34Å; N25-H28 PolarHBondContact O-N 3.5Å; N25-S29 VanDerWaalsContact O-CB 3.24Å; N25-S29 WeakPolarHBondContact O-CB 3.39Å; N25-S29 PolarHBondContact O-N 3.33Å |
| 26 | Q | 93.3 | Very high | 88.5 | Confident | 116 Ų | 116 | 97.5 Ų | 97.5 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 173.6 | -78.3 | -177.1 | 19.6 | 0 | 0 | 111.8 | N22 L23 S29 A30 | N22-Q26 WeakPolarHBondContact O-CG 3.28Å; N22-Q26 PolarHBondContact O-N 2.98Å; N22-Q26 PolarHBondContact OD1-NE2 3.09Å; L23-Q26 PolarHBondContact O-N 2.8Å; Q26-S29 PolarHBondContact O-N 3.39Å; Q26-A30 VanDerWaalsContact O-CB 3.28Å; Q26-A30 WeakPolarHBondContact O-CB 3.39Å; Q26-A30 PolarHBondContact O-N 3.42Å |
| 27 | L | 92.3 | Very high | 89.9 | Confident | 95 Ų | 95 | 96.5 Ų | 96.5 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 176.7 | -173.8 | 141.7 | 0 | 0 | 0 | 111.1 | L23 E24 S29 A30 Q31 | L23-L27 WeakPolarHBondContact O-CB 3.38Å; L23-L27 PolarHBondContact O-N 2.99Å; E24-L27 PolarHBondContact O-N 3.31Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.89Å; L27-A30 PolarHBondContact O-N 2.85Å; L27-Q31 HydrophobicContact CD2-CG 4.43Å; L27-Q31 WeakPolarHBondContact O-CB 3.4Å; L27-Q31 VanDerWaalsContact O-CG 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.27Å; L27-Q31 PolarHBondContact O-N 3.47Å |
| 28 | H | 93.8 | Very high | 91.1 | Very high | 90 Ų | 90 | 98.3 Ų | 98.3 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 172.9 | -88.9 | 84.6 | 0 | 0 | 0 | 112.6 | E24 N25 K32 | E24-H28 WeakPolarHBondContact O-CB 3.46Å; E24-H28 PolarHBondContact O-N 2.9Å; E24-H28 PolarHBondContact O-ND1 2.87Å; E24-H28 VanDerWaalsContact O-ND1 3.1Å; N25-H28 PolarHBondContact O-N 3.5Å; H28-K32 WeakPolarHBondContact O-CG 3.47Å; H28-K32 PolarHBondContact O-N 3.42Å |
| 29 | S | 94.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 101.3 Ų | 101.3 | 43% | 0.427 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 176.3 | -176 | 0 | 0 | 0 | 0 | 111.5 | N25 Q26 L27 Q31 K32 N33 | N25-S29 VanDerWaalsContact O-CB 3.24Å; N25-S29 WeakPolarHBondContact O-CB 3.39Å; N25-S29 PolarHBondContact O-N 3.33Å; Q26-S29 PolarHBondContact O-N 3.39Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.89Å; S29-Q31 PolarHBondContact O-N 3.1Å; S29-K32 PolarHBondContact O-N 2.87Å; S29-N33 WeakPolarHBondContact O-CB 3.35Å; S29-N33 VanDerWaalsContact O-CG 3.25Å; S29-N33 PolarHBondContact O-N 3.37Å; S29-N33 PolarHBondContact O-ND2 3.34Å |
| 30 | A | 94.4 | Very high | 93.1 | Very high | 58 Ų | 58 | 102.3 Ų | 102.3 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q26 L27 N33 L34 | Q26-A30 VanDerWaalsContact O-CB 3.28Å; Q26-A30 WeakPolarHBondContact O-CB 3.39Å; Q26-A30 PolarHBondContact O-N 3.42Å; L27-A30 PolarHBondContact O-N 2.85Å; A30-N33 PolarHBondContact O-N 3.24Å; A30-L34 WeakPolarHBondContact O-CB 3.39Å; A30-L34 PolarHBondContact O-N 3.46Å |
| 31 | Q | 94.5 | Very high | 93.9 | Very high | 109 Ų | 109 | 104.7 Ų | 104.7 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 174.2 | -76.6 | 176.5 | -12.2 | 0 | 0 | 112.1 | L27 S29 L34 L35 | L27-Q31 HydrophobicContact CD2-CG 4.43Å; L27-Q31 WeakPolarHBondContact O-CB 3.4Å; L27-Q31 VanDerWaalsContact O-CG 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.27Å; L27-Q31 PolarHBondContact O-N 3.47Å; S29-Q31 PolarHBondContact O-N 3.1Å; Q31-L34 PolarHBondContact O-N 2.98Å; Q31-L35 WeakPolarHBondContact O-CB 3.43Å; Q31-L35 PolarHBondContact O-N 2.86Å |
| 32 | K | 96.1 | Very high | 94.6 | Very high | 150 Ų | 150 | 104.5 Ų | 104.5 | 65% | 0.652 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 175 | -77.7 | 178.3 | 177.8 | 175.2 | 0 | 112.2 | H28 S29 L35 F36 | H28-K32 WeakPolarHBondContact O-CG 3.47Å; H28-K32 PolarHBondContact O-N 3.42Å; S29-K32 PolarHBondContact O-N 2.87Å; K32-L35 PolarHBondContact O-N 2.95Å; K32-F36 WeakPolarHBondContact O-CB 3.4Å; K32-F36 PolarHBondContact O-N 3.01Å |
| 33 | N | 96.4 | Very high | 95.1 | Very high | 100 Ų | 100 | 103.5 Ų | 103.5 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.5 | -72.8 | -19.2 | 0 | 0 | 0 | 111.4 | S29 A30 F36 L37 | S29-N33 WeakPolarHBondContact O-CB 3.35Å; S29-N33 VanDerWaalsContact O-CG 3.25Å; S29-N33 PolarHBondContact O-N 3.37Å; S29-N33 PolarHBondContact O-ND2 3.34Å; A30-N33 PolarHBondContact O-N 3.24Å; N33-F36 PolarHBondContact O-N 2.87Å; N33-L37 WeakPolarHBondContact O-CB 3.5Å; N33-L37 PolarHBondContact O-N 3.38Å |
| 34 | L | 96.3 | Very high | 95.5 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.3 | 179.6 | 63 | 0 | 0 | 0 | 111.3 | A30 Q31 F36 L37 Q38 | A30-L34 WeakPolarHBondContact O-CB 3.39Å; A30-L34 PolarHBondContact O-N 3.46Å; Q31-L34 PolarHBondContact O-N 2.98Å; L34-F36 VanDerWaalsContact C-N 3.34Å; L34-F36 PolarHBondContact O-N 2.87Å; L34-L37 PolarHBondContact O-N 3.4Å; L34-Q38 HydrophobicContact CD1-CG 4.47Å; L34-Q38 WeakPolarHBondContact O-CB 3.46Å; L34-Q38 VanDerWaalsContact O-CG 3.28Å; L34-Q38 WeakPolarHBondContact O-CG 3.39Å; L34-Q38 PolarHBondContact O-N 3.39Å |
| 35 | L | 96.6 | Very high | 95.9 | Very high | 121 Ų | 121 | 101 Ų | 101 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 178.1 | -164.4 | 100.2 | 0 | 0 | 0 | 111.7 | Q31 K32 Q38 R39 | Q31-L35 WeakPolarHBondContact O-CB 3.43Å; Q31-L35 PolarHBondContact O-N 2.86Å; K32-L35 PolarHBondContact O-N 2.95Å; L35-Q38 PolarHBondContact O-N 3.49Å; L35-R39 WeakPolarHBondContact O-CB 3.45Å; L35-R39 PolarHBondContact O-N 2.83Å |
| 36 | F | 97.1 | Very high | 96.2 | Very high | 124 Ų | 124 | 103.3 Ų | 103.3 | 54% | 0.544 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 173.7 | 176.1 | -99 | 0 | 0 | 0 | 110.4 | K32 N33 L34 Q38 R39 E40 | K32-F36 WeakPolarHBondContact O-CB 3.4Å; K32-F36 PolarHBondContact O-N 3.01Å; N33-F36 PolarHBondContact O-N 2.87Å; L34-F36 VanDerWaalsContact C-N 3.34Å; L34-F36 PolarHBondContact O-N 2.87Å; F36-Q38 VanDerWaalsContact C-N 3.35Å; F36-Q38 PolarHBondContact O-N 3.28Å; F36-R39 WeakPolarHBondContact O-CB 3.37Å; F36-R39 PolarHBondContact O-N 2.85Å; F36-R39 VanDerWaalsContact O-N 3.1Å; F36-E40 HydrophobicContact CD1-CG 4.05Å; F36-E40 HydrophobicContact CD2-CG 4.35Å; F36-E40 HydrophobicContact CE1-CG 3.59Å; F36-E40 HydrophobicContact CE2-CG 3.91Å; F36-E40 HydrophobicContact CG-CG 4.41Å; F36-E40 HydrophobicContact CZ-CG 3.51Å; F36-E40 WeakPolarHBondContact O-CG 3.4Å; F36-E40 PolarHBondContact O-N 3.1Å |
| 37 | L | 97.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 99.5 Ų | 99.5 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | -179.8 | -158 | 71.1 | 0 | 0 | 0 | 111.5 | N33 L34 R39 E40 H41 | N33-L37 WeakPolarHBondContact O-CB 3.5Å; N33-L37 PolarHBondContact O-N 3.38Å; L34-L37 PolarHBondContact O-N 3.4Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 2.87Å; L37-E40 PolarHBondContact O-N 3.25Å; L37-H41 WeakPolarHBondContact CG-NE2 3.28Å; L37-H41 WeakPolarHBondContact O-CB 3.4Å; L37-H41 PolarHBondContact O-CD2 2.87Å; L37-H41 PolarHBondContact O-N 3.44Å |
| 38 | Q | 97 | Very high | 96.7 | Very high | 109 Ų | 109 | 99.6 Ų | 99.6 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 173.5 | -74.6 | 174.5 | -15.2 | 0 | 0 | 112.3 | L34 L35 F36 H41 A42 | L34-Q38 HydrophobicContact CD1-CG 4.47Å; L34-Q38 WeakPolarHBondContact O-CB 3.46Å; L34-Q38 VanDerWaalsContact O-CG 3.28Å; L34-Q38 WeakPolarHBondContact O-CG 3.39Å; L34-Q38 PolarHBondContact O-N 3.39Å; L35-Q38 PolarHBondContact O-N 3.49Å; F36-Q38 VanDerWaalsContact C-N 3.35Å; F36-Q38 PolarHBondContact O-N 3.28Å; Q38-H41 PolarHBondContact O-N 2.9Å; Q38-A42 WeakPolarHBondContact O-CB 3.38Å; Q38-A42 PolarHBondContact O-N 3.5Å |
| 39 | R | 97 | Very high | 96.9 | Very high | 187 Ų | 187 | 100.2 Ų | 100.2 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 175.7 | -175.6 | -177.4 | 179.1 | 117.7 | -1 | 111.6 | L35 F36 L37 A42 S43 | L35-R39 WeakPolarHBondContact O-CB 3.45Å; L35-R39 PolarHBondContact O-N 2.83Å; F36-R39 WeakPolarHBondContact O-CB 3.37Å; F36-R39 PolarHBondContact O-N 2.85Å; F36-R39 VanDerWaalsContact O-N 3.1Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 2.87Å; R39-A42 PolarHBondContact O-N 3.35Å; R39-S43 WeakPolarHBondContact O-CB 3.43Å; R39-S43 PolarHBondContact O-N 2.84Å |
| 40 | E | 97.4 | Very high | 97.1 | Very high | 81 Ų | 81 | 100.5 Ų | 100.5 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 177.7 | -69.6 | -57.4 | 102.1 | 0 | 0 | 111.9 | F36 L37 S43 T44 | F36-E40 HydrophobicContact CD1-CG 4.05Å; F36-E40 HydrophobicContact CD2-CG 4.35Å; F36-E40 HydrophobicContact CE1-CG 3.59Å; F36-E40 HydrophobicContact CE2-CG 3.91Å; F36-E40 HydrophobicContact CG-CG 4.41Å; F36-E40 HydrophobicContact CZ-CG 3.51Å; F36-E40 WeakPolarHBondContact O-CG 3.4Å; F36-E40 PolarHBondContact O-N 3.1Å; L37-E40 PolarHBondContact O-N 3.25Å; E40-S43 WeakPolarHBondContact O-CB 3.41Å; E40-S43 PolarHBondContact O-N 3.42Å; E40-T44 WeakPolarHBondContact O-CB 3.42Å; E40-T44 PolarHBondContact O-N 2.94Å; E40-T44 PolarHBondContact O-OG1 2.97Å |
| 41 | H | 97.3 | Very high | 97.3 | Very high | 109 Ų | 109 | 101.9 Ų | 101.9 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 172.9 | -74.6 | -60.2 | 0 | 0 | 0 | 111.7 | L37 Q38 S43 T44 L45 | L37-H41 WeakPolarHBondContact CG-NE2 3.28Å; L37-H41 WeakPolarHBondContact O-CB 3.4Å; L37-H41 PolarHBondContact O-CD2 2.87Å; L37-H41 PolarHBondContact O-N 3.44Å; Q38-H41 PolarHBondContact O-N 2.9Å; H41-S43 VanDerWaalsContact C-N 3.33Å; H41-S43 PolarHBondContact O-N 3.48Å; H41-T44 PolarHBondContact O-N 3.35Å; H41-L45 WeakPolarHBondContact O-CB 3.48Å; H41-L45 WeakPolarHBondContact O-CG 3.37Å; H41-L45 PolarHBondContact O-N 3.3Å |
| 42 | A | 97.8 | Very high | 97.5 | Very high | 60 Ų | 60 | 100.8 Ų | 100.8 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q38 R39 K46 | Q38-A42 WeakPolarHBondContact O-CB 3.38Å; Q38-A42 PolarHBondContact O-N 3.5Å; R39-A42 PolarHBondContact O-N 3.35Å; A42-K46 WeakPolarHBondContact O-CB 3.43Å; A42-K46 PolarHBondContact O-N 3.13Å |
| 43 | S | 97.5 | Very high | 97.6 | Very high | 71 Ų | 71 | 101.5 Ų | 101.5 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | R39 E40 H41 K46 G47 | R39-S43 WeakPolarHBondContact O-CB 3.43Å; R39-S43 PolarHBondContact O-N 2.84Å; E40-S43 WeakPolarHBondContact O-CB 3.41Å; E40-S43 PolarHBondContact O-N 3.42Å; H41-S43 VanDerWaalsContact C-N 3.33Å; H41-S43 PolarHBondContact O-N 3.48Å; S43-K46 WeakPolarHBondContact O-CB 3.47Å; S43-K46 PolarHBondContact O-N 3.5Å; S43-G47 PolarHBondContact O-N 3Å |
| 44 | T | 97.8 | Very high | 97.7 | Very high | 81 Ų | 81 | 103.1 Ų | 103.1 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 179.3 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | E40 H41 K46 G47 L48 | E40-T44 WeakPolarHBondContact O-CB 3.42Å; E40-T44 PolarHBondContact O-N 2.94Å; E40-T44 PolarHBondContact O-OG1 2.97Å; H41-T44 PolarHBondContact O-N 3.35Å; T44-K46 VanDerWaalsContact C-N 3.31Å; T44-K46 PolarHBondContact O-N 2.9Å; T44-G47 PolarHBondContact O-N 3.39Å; T44-G47 VanDerWaalsContact O-N 3.13Å; T44-L48 HydrophobicContact CG2-CD1 4.35Å; T44-L48 WeakPolarHBondContact O-CG 3.43Å; T44-L48 PolarHBondContact O-N 3.15Å |
| 45 | L | 98.1 | Very high | 97.8 | Very high | 97 Ų | 97 | 102.6 Ų | 102.6 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.2 | -77.8 | 170.1 | 0 | 0 | 0 | 112.1 | H41 G47 L48 H49 | H41-L45 WeakPolarHBondContact O-CB 3.48Å; H41-L45 WeakPolarHBondContact O-CG 3.37Å; H41-L45 PolarHBondContact O-N 3.3Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.26Å; L45-L48 PolarHBondContact O-N 3.39Å; L45-H49 WeakPolarHBondContact O-CB 3.31Å; L45-H49 VanDerWaalsContact O-CG 3.3Å; L45-H49 PolarHBondContact O-N 3.26Å; L45-H49 PolarHBondContact O-ND1 3.4Å |
| 46 | K | 98.1 | Very high | 97.9 | Very high | 160 Ų | 160 | 102.3 Ų | 102.3 | 70% | 0.696 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 175.2 | -173 | -179 | 177.8 | -176.5 | 0 | 111.3 | A42 S43 T44 H49 S50 | A42-K46 WeakPolarHBondContact O-CB 3.43Å; A42-K46 PolarHBondContact O-N 3.13Å; S43-K46 WeakPolarHBondContact O-CB 3.47Å; S43-K46 PolarHBondContact O-N 3.5Å; T44-K46 VanDerWaalsContact C-N 3.31Å; T44-K46 PolarHBondContact O-N 2.9Å; K46-H49 PolarHBondContact O-N 2.64Å; K46-S50 PolarHBondContact O-N 3.02Å; K46-S50 PolarHBondContact O-OG 3.48Å |
| 47 | G | 98.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 101.6 Ų | 101.6 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S43 T44 L45 H49 S50 E51 | S43-G47 PolarHBondContact O-N 3Å; T44-G47 PolarHBondContact O-N 3.39Å; T44-G47 VanDerWaalsContact O-N 3.13Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.26Å; G47-H49 PolarHBondContact O-N 3.03Å; G47-S50 WeakPolarHBondContact CA-OG 3.46Å; G47-S50 PolarHBondContact O-N 2.94Å; G47-S50 PolarHBondContact O-OG 2.86Å; G47-E51 PolarHBondContact O-N 3.39Å |
| 48 | L | 98.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 102.1 Ų | 102.1 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 175.6 | -68.3 | 175.1 | 0 | 0 | 0 | 111.7 | T44 L45 S50 E51 I52 | T44-L48 HydrophobicContact CG2-CD1 4.35Å; T44-L48 WeakPolarHBondContact O-CG 3.43Å; T44-L48 PolarHBondContact O-N 3.15Å; L45-L48 PolarHBondContact O-N 3.39Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 2.87Å; L48-E51 PolarHBondContact O-N 3.36Å; L48-E51 VanDerWaalsContact O-N 3.15Å; L48-I52 VanDerWaalsContact O-CG1 3.31Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 2.87Å |
| 49 | H | 98.3 | Very high | 98 | Very high | 103 Ų | 103 | 100 Ų | 100 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -30.6 | 175.9 | -70.5 | 154.4 | 0 | 0 | 0 | 113.5 | L45 K46 G47 R53 | L45-H49 WeakPolarHBondContact O-CB 3.31Å; L45-H49 VanDerWaalsContact O-CG 3.3Å; L45-H49 PolarHBondContact O-N 3.26Å; L45-H49 PolarHBondContact O-ND1 3.4Å; K46-H49 PolarHBondContact O-N 2.64Å; G47-H49 PolarHBondContact O-N 3.03Å; H49-R53 WeakPolarHBondContact O-CB 3.49Å; H49-R53 WeakPolarHBondContact O-CG 3.37Å; H49-R53 PolarHBondContact O-N 2.66Å; H49-R53 PolarHBondContact O-NE 3.29Å |
| 50 | S | 98.3 | Very high | 98 | Very high | 66 Ų | 66 | 95.2 Ų | 95.2 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 171 | 44.3 | 0 | 0 | 0 | 0 | 112 | K46 G47 L48 R53 R54 | K46-S50 PolarHBondContact O-N 3.02Å; K46-S50 PolarHBondContact O-OG 3.48Å; G47-S50 WeakPolarHBondContact CA-OG 3.46Å; G47-S50 PolarHBondContact O-N 2.94Å; G47-S50 PolarHBondContact O-OG 2.86Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 2.87Å; S50-R53 PolarHBondContact O-N 3.21Å; S50-R54 WeakPolarHBondContact O-CB 3.44Å; S50-R54 PolarHBondContact O-N 3.32Å |
| 51 | E | 98.3 | Very high | 98 | Very high | 88 Ų | 88 | 95.3 Ų | 95.3 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.6 | -40.8 | -179.1 | -175 | 58.3 | -165.4 | 0 | 0 | 112.1 | G47 L48 R53 R54 L55 | G47-E51 PolarHBondContact O-N 3.39Å; L48-E51 PolarHBondContact O-N 3.36Å; L48-E51 VanDerWaalsContact O-N 3.15Å; E51-R53 VanDerWaalsContact C-N 3.29Å; E51-R53 PolarHBondContact O-N 3.36Å; E51-R54 PolarHBondContact O-N 3.02Å; E51-R54 IonicContact OE1-CZ 3.84Å; E51-R54 IonicContact OE1-NE 3.96Å; E51-R54 PolarHBondContact OE1-NE 3.22Å; E51-R54 IonicContact OE1-NH2 2.62Å; E51-R54 PolarHBondContact OE1-NH2 2.9Å; E51-R54 IonicContact OE2-CZ 2.74Å; E51-R54 IonicContact OE2-NE 3.94Å; E51-R54 PolarHBondContact OE2-NE 3.4Å; E51-R54 IonicContact OE2-NH2 2.71Å; E51-L55 WeakPolarHBondContact O-CB 3.48Å; E51-L55 PolarHBondContact O-N 3.19Å |
| 52 | I | 98.3 | Very high | 98 | Very high | 86 Ų | 86 | 94 Ų | 94 | 44% | 0.441 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 172.1 | -70.1 | 166 | 0 | 0 | 0 | 110 | L48 L55 Q56 | L48-I52 VanDerWaalsContact O-CG1 3.31Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 2.87Å; I52-L55 PolarHBondContact O-N 3.27Å; I52-Q56 HydrophobicContact CG2-CG 4.29Å; I52-Q56 WeakPolarHBondContact O-CB 3.47Å; I52-Q56 WeakPolarHBondContact O-CG 3.18Å; I52-Q56 PolarHBondContact O-N 3.49Å |
| 53 | R | 98.3 | Very high | 97.9 | Very high | 164 Ų | 164 | 95.2 Ų | 95.2 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 177.8 | -80.5 | -174 | -84.5 | -155.9 | -2.5 | 112.5 | H49 S50 E51 Q56 Q57 | H49-R53 WeakPolarHBondContact O-CB 3.49Å; H49-R53 WeakPolarHBondContact O-CG 3.37Å; H49-R53 PolarHBondContact O-N 2.66Å; H49-R53 PolarHBondContact O-NE 3.29Å; S50-R53 PolarHBondContact O-N 3.21Å; E51-R53 VanDerWaalsContact C-N 3.29Å; E51-R53 PolarHBondContact O-N 3.36Å; R53-Q56 PolarHBondContact O-N 2.85Å; R53-Q57 WeakPolarHBondContact O-CB 3.33Å; R53-Q57 PolarHBondContact O-N 3.44Å |
| 54 | R | 98.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 99.9 Ų | 99.9 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.5 | -168.8 | -167.2 | 70.1 | 74.1 | -0.9 | 111.3 | S50 E51 Q57 H58 | S50-R54 WeakPolarHBondContact O-CB 3.44Å; S50-R54 PolarHBondContact O-N 3.32Å; E51-R54 PolarHBondContact O-N 3.02Å; E51-R54 IonicContact OE1-CZ 3.84Å; E51-R54 IonicContact OE1-NE 3.96Å; E51-R54 PolarHBondContact OE1-NE 3.22Å; E51-R54 IonicContact OE1-NH2 2.62Å; E51-R54 PolarHBondContact OE1-NH2 2.9Å; E51-R54 IonicContact OE2-CZ 2.74Å; E51-R54 IonicContact OE2-NE 3.94Å; E51-R54 PolarHBondContact OE2-NE 3.4Å; E51-R54 IonicContact OE2-NH2 2.71Å; R54-Q57 PolarHBondContact O-N 3.38Å; R54-H58 WeakPolarHBondContact O-CB 3.46Å; R54-H58 PolarHBondContact O-N 2.95Å |
| 55 | L | 98.5 | Very high | 97.7 | Very high | 91 Ų | 91 | 100.4 Ų | 100.4 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 179 | -172.8 | 64.1 | 0 | 0 | 0 | 111.7 | E51 I52 Q57 H58 C59 | E51-L55 WeakPolarHBondContact O-CB 3.48Å; E51-L55 PolarHBondContact O-N 3.19Å; I52-L55 PolarHBondContact O-N 3.27Å; L55-Q57 PolarHBondContact O-N 3.31Å; L55-H58 PolarHBondContact O-N 2.86Å; L55-C59 WeakPolarHBondContact O-CB 3.42Å; L55-C59 PolarHBondContact O-N 3.26Å; L55-C59 PolarHBondContact O-SG 2.94Å |
| 56 | Q | 98.2 | Very high | 97.5 | Very high | 114 Ų | 114 | 100.5 Ų | 100.5 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 173.9 | -77.1 | 171 | -25.8 | 0 | 0 | 111 | I52 R53 H58 C59 T60 | I52-Q56 HydrophobicContact CG2-CG 4.29Å; I52-Q56 WeakPolarHBondContact O-CB 3.47Å; I52-Q56 WeakPolarHBondContact O-CG 3.18Å; I52-Q56 PolarHBondContact O-N 3.49Å; R53-Q56 PolarHBondContact O-N 2.85Å; Q56-H58 VanDerWaalsContact C-N 3.35Å; Q56-H58 PolarHBondContact O-N 3.45Å; Q56-C59 PolarHBondContact O-N 3.1Å; Q56-T60 PolarHBondContact O-N 2.69Å; Q56-T60 PolarHBondContact O-OG1 3.46Å; Q56-T60 VanDerWaalsContact O-OG1 3.04Å |
| 57 | Q | 97.9 | Very high | 97 | Very high | 109 Ų | 109 | 97.1 Ų | 97.1 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 175.7 | -175 | 62.9 | 42.1 | 0 | 0 | 111.3 | R53 R54 L55 C59 T60 D61 | R53-Q57 WeakPolarHBondContact O-CB 3.33Å; R53-Q57 PolarHBondContact O-N 3.44Å; R54-Q57 PolarHBondContact O-N 3.38Å; L55-Q57 PolarHBondContact O-N 3.31Å; Q57-C59 VanDerWaalsContact C-N 3.34Å; Q57-C59 PolarHBondContact O-N 3.48Å; Q57-T60 WeakPolarHBondContact O-CB 3.34Å; Q57-T60 PolarHBondContact O-N 3.27Å; Q57-T60 VanDerWaalsContact O-N 3.1Å; Q57-D61 PolarHBondContact NE2-OD1 3.3Å; Q57-D61 VanDerWaalsContact O-CG 3.23Å; Q57-D61 PolarHBondContact O-N 3.45Å |
| 58 | H | 98 | Very high | 96.5 | Very high | 102 Ų | 102 | 97.4 Ų | 97.4 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 179.2 | -175.5 | -89.8 | 0 | 0 | 0 | 112.8 | R54 L55 Q56 T60 D61 L62 | R54-H58 WeakPolarHBondContact O-CB 3.46Å; R54-H58 PolarHBondContact O-N 2.95Å; L55-H58 PolarHBondContact O-N 2.86Å; Q56-H58 VanDerWaalsContact C-N 3.35Å; Q56-H58 PolarHBondContact O-N 3.45Å; H58-T60 VanDerWaalsContact C-N 3.34Å; H58-D61 PolarHBondContact O-N 2.99Å; H58-L62 WeakPolarHBondContact O-CB 3.47Å; H58-L62 PolarHBondContact O-N 2.84Å |
| 59 | C | 98.1 | Very high | 95.8 | Very high | 64 Ų | 64 | 97.9 Ų | 97.9 | 43% | 0.432 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 174.3 | -71.7 | 0 | 0 | 0 | 0 | 111.6 | L55 Q56 Q57 T63 | L55-C59 WeakPolarHBondContact O-CB 3.42Å; L55-C59 PolarHBondContact O-N 3.26Å; L55-C59 PolarHBondContact O-SG 2.94Å; Q56-C59 PolarHBondContact O-N 3.1Å; Q57-C59 VanDerWaalsContact C-N 3.34Å; Q57-C59 PolarHBondContact O-N 3.48Å; C59-T63 VanDerWaalsContact O-CB 3.3Å; C59-T63 WeakPolarHBondContact O-CB 3.3Å; C59-T63 PolarHBondContact O-N 3.04Å; C59-T63 PolarHBondContact O-OG1 2.97Å |
| 60 | T | 97.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 96.1 Ų | 96.1 | 53% | 0.534 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | Q56 Q57 H58 T63 Y64 | Q56-T60 PolarHBondContact O-N 2.69Å; Q56-T60 PolarHBondContact O-OG1 3.46Å; Q56-T60 VanDerWaalsContact O-OG1 3.04Å; Q57-T60 WeakPolarHBondContact O-CB 3.34Å; Q57-T60 PolarHBondContact O-N 3.27Å; Q57-T60 VanDerWaalsContact O-N 3.1Å; H58-T60 VanDerWaalsContact C-N 3.34Å; T60-T63 PolarHBondContact O-N 2.9Å; T60-Y64 WeakPolarHBondContact O-CB 3.44Å; T60-Y64 PolarHBondContact O-N 2.97Å |
| 61 | D | 97.1 | Very high | 93.6 | Very high | 82 Ų | 82 | 96.9 Ų | 96.9 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 179.4 | -64.8 | -20.4 | 0 | 0 | 0 | 111.3 | Q57 H58 T63 Y64 E65 | Q57-D61 PolarHBondContact NE2-OD1 3.3Å; Q57-D61 VanDerWaalsContact O-CG 3.23Å; Q57-D61 PolarHBondContact O-N 3.45Å; H58-D61 PolarHBondContact O-N 2.99Å; D61-T63 VanDerWaalsContact C-N 3.35Å; D61-T63 PolarHBondContact O-N 2.93Å; D61-Y64 WeakPolarHBondContact O-CB 3.35Å; D61-Y64 PolarHBondContact O-N 3.39Å; D61-E65 PolarHBondContact O-N 2.94Å |
| 62 | L | 97.3 | Very high | 92.2 | Very high | 82 Ų | 82 | 98.7 Ų | 98.7 | 43% | 0.429 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 177.6 | -174.9 | 63.6 | 0 | 0 | 0 | 111.9 | H58 Y64 E65 L66 | H58-L62 WeakPolarHBondContact O-CB 3.47Å; H58-L62 PolarHBondContact O-N 2.84Å; L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-E65 PolarHBondContact O-N 2.9Å; L62-L66 HydrophobicContact CG-CD1 4.38Å; L62-L66 WeakPolarHBondContact O-CB 3.16Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.25Å |
| 63 | T | 95.8 | Very high | 90.6 | Very high | 86 Ų | 86 | 101.5 Ų | 101.5 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 175.7 | -58.8 | 0 | 0 | 0 | 0 | 111 | C59 T60 D61 T67 | C59-T63 VanDerWaalsContact O-CB 3.3Å; C59-T63 WeakPolarHBondContact O-CB 3.3Å; C59-T63 PolarHBondContact O-N 3.04Å; C59-T63 PolarHBondContact O-OG1 2.97Å; T60-T63 PolarHBondContact O-N 2.9Å; D61-T63 VanDerWaalsContact C-N 3.35Å; D61-T63 PolarHBondContact O-N 2.93Å; T63-T67 WeakPolarHBondContact O-CB 3.48Å; T63-T67 PolarHBondContact O-N 2.73Å; T63-T67 PolarHBondContact O-OG1 3.3Å |
| 64 | Y | 96.3 | Very high | 88.9 | Confident | 169 Ų | 169 | 98.3 Ų | 98.3 | 66% | 0.663 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -48.6 | 174.4 | 178.4 | -99.7 | 0 | 0 | 0 | 111.1 | T60 D61 L62 L66 T67 V68 | T60-Y64 WeakPolarHBondContact O-CB 3.44Å; T60-Y64 PolarHBondContact O-N 2.97Å; D61-Y64 WeakPolarHBondContact O-CB 3.35Å; D61-Y64 PolarHBondContact O-N 3.39Å; L62-Y64 VanDerWaalsContact C-N 3.33Å; Y64-L66 PolarHBondContact O-N 2.82Å; Y64-T67 PolarHBondContact O-N 2.64Å; Y64-T67 VanDerWaalsContact O-N 3.14Å; Y64-V68 HydrophobicContact CD1-CG2 4.12Å; Y64-V68 HydrophobicContact CD2-CG2 4.16Å; Y64-V68 HydrophobicContact CE1-CG2 3.71Å; Y64-V68 HydrophobicContact CE2-CG2 3.74Å; Y64-V68 HydrophobicContact CG-CG2 4.33Å; Y64-V68 WeakPolarHBondContact O-CG2 3.35Å; Y64-V68 PolarHBondContact O-N 3.47Å |
| 65 | E | 94.8 | Very high | 87.3 | Confident | 92 Ų | 92 | 94.1 Ų | 94.1 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 178.8 | -169.9 | -174.8 | 140 | 0 | 0 | 112 | D61 L62 T67 V68 K69 | D61-E65 PolarHBondContact O-N 2.94Å; L62-E65 PolarHBondContact O-N 2.9Å; E65-T67 PolarHBondContact O-N 3.5Å; E65-V68 PolarHBondContact O-N 3.49Å; E65-K69 HydrophobicContact CG-CD 4.05Å; E65-K69 HydrophobicContact CG-CG 4.49Å; E65-K69 VanDerWaalsContact O-CB 3.29Å; E65-K69 WeakPolarHBondContact O-CB 3.31Å; E65-K69 VanDerWaalsContact O-CG 3.31Å; E65-K69 WeakPolarHBondContact O-CG 3.29Å; E65-K69 PolarHBondContact O-N 3.37Å; E65-K69 WeakPolarHBondContact OE1-CE 3.46Å; E65-K69 IonicContact OE1-NZ 3.83Å; E65-K69 PolarHBondContact OE1-NZ 2.87Å |
| 66 | L | 92.9 | Very high | 85.8 | Confident | 99 Ų | 99 | 95.2 Ų | 95.2 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.4 | -73.2 | 174.2 | 0 | 0 | 0 | 112 | L62 Y64 S70 | L62-L66 HydrophobicContact CG-CD1 4.38Å; L62-L66 WeakPolarHBondContact O-CB 3.16Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.25Å; Y64-L66 PolarHBondContact O-N 2.82Å; L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.1Å; L66-S70 PolarHBondContact O-OG 3.02Å |
| 67 | T | 88.6 | Confident | 84.7 | Confident | 88 Ų | 88 | 91.2 Ų | 91.2 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -46 | 179.5 | -57.9 | 0 | 0 | 0 | 0 | 111 | T63 Y64 E65 S70 S71 | T63-T67 WeakPolarHBondContact O-CB 3.48Å; T63-T67 PolarHBondContact O-N 2.73Å; T63-T67 PolarHBondContact O-OG1 3.3Å; Y64-T67 PolarHBondContact O-N 2.64Å; Y64-T67 VanDerWaalsContact O-N 3.14Å; E65-T67 PolarHBondContact O-N 3.5Å; T67-S70 PolarHBondContact O-N 2.62Å; T67-S71 WeakPolarHBondContact O-CB 3.34Å; T67-S71 PolarHBondContact O-N 3.45Å; T67-S71 PolarHBondContact O-OG 2.89Å |
| 68 | V | 86.8 | Confident | 83.9 | Confident | 42 Ų | 42 | 90.3 Ų | 90.3 | 26% | 0.255 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -53.1 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | Y64 E65 S70 S71 E72 | Y64-V68 HydrophobicContact CD1-CG2 4.12Å; Y64-V68 HydrophobicContact CD2-CG2 4.16Å; Y64-V68 HydrophobicContact CE1-CG2 3.71Å; Y64-V68 HydrophobicContact CE2-CG2 3.74Å; Y64-V68 HydrophobicContact CG-CG2 4.33Å; Y64-V68 WeakPolarHBondContact O-CG2 3.35Å; Y64-V68 PolarHBondContact O-N 3.47Å; E65-V68 PolarHBondContact O-N 3.49Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 2.98Å; V68-S71 PolarHBondContact O-N 2.98Å; V68-S71 PolarHBondContact O-OG 3.14Å; V68-E72 WeakPolarHBondContact O-CG 3.36Å; V68-E72 PolarHBondContact O-N 2.86Å |
| 69 | K | 85 | Confident | 83.2 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 47% | 0.465 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 178.1 | -74.9 | -179 | 173.8 | 175.2 | 0 | 112.4 | E65 E72 Q73 | E65-K69 HydrophobicContact CG-CD 4.05Å; E65-K69 HydrophobicContact CG-CG 4.49Å; E65-K69 VanDerWaalsContact O-CB 3.29Å; E65-K69 WeakPolarHBondContact O-CB 3.31Å; E65-K69 VanDerWaalsContact O-CG 3.31Å; E65-K69 WeakPolarHBondContact O-CG 3.29Å; E65-K69 PolarHBondContact O-N 3.37Å; E65-K69 WeakPolarHBondContact OE1-CE 3.46Å; E65-K69 IonicContact OE1-NZ 3.83Å; E65-K69 PolarHBondContact OE1-NZ 2.87Å; K69-E72 PolarHBondContact O-N 2.62Å; K69-Q73 VanDerWaalsContact O-CB 3.27Å; K69-Q73 WeakPolarHBondContact O-CB 3.27Å; K69-Q73 PolarHBondContact O-N 3.07Å |
| 70 | S | 76.6 | Confident | 82.7 | Confident | 67 Ų | 67 | 94.1 Ų | 94.1 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | L66 T67 V68 T74 | L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.1Å; L66-S70 PolarHBondContact O-OG 3.02Å; T67-S70 PolarHBondContact O-N 2.62Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 2.98Å; S70-T74 WeakPolarHBondContact O-CB 3.49Å; S70-T74 PolarHBondContact O-N 3.46Å; S70-T74 VanDerWaalsContact O-N 3.1Å; S70-T74 PolarHBondContact O-OG1 3.43Å |
| 71 | S | 73.3 | Confident | 82.3 | Confident | 81 Ų | 81 | 93.7 Ų | 93.7 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -39 | 177.7 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | T67 V68 | T67-S71 WeakPolarHBondContact O-CB 3.34Å; T67-S71 PolarHBondContact O-N 3.45Å; T67-S71 PolarHBondContact O-OG 2.89Å; V68-S71 PolarHBondContact O-N 2.98Å; V68-S71 PolarHBondContact O-OG 3.14Å |
| 72 | E | 68.6 | Low | 82 | Confident | 127 Ų | 127 | 93.4 Ų | 93.4 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.1 | -42.9 | 176.3 | -68.4 | -179.4 | 157 | 0 | 0 | 111.6 | V68 K69 D76 | V68-E72 WeakPolarHBondContact O-CG 3.36Å; V68-E72 PolarHBondContact O-N 2.86Å; K69-E72 PolarHBondContact O-N 2.62Å; E72-D76 PolarHBondContact O-N 2.71Å |
| 73 | Q | 65.6 | Low | 81.9 | Confident | 144 Ų | 144 | 95 Ų | 95 | 67% | 0.673 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.5 | -34.3 | -176.9 | -158.7 | 108.5 | 73.5 | 0 | 0 | 113.1 | K69 G77 | K69-Q73 VanDerWaalsContact O-CB 3.27Å; K69-Q73 WeakPolarHBondContact O-CB 3.27Å; K69-Q73 PolarHBondContact O-N 3.07Å; Q73-G77 VanDerWaalsContact O-CA 3.27Å; Q73-G77 WeakPolarHBondContact O-CA 3.19Å; Q73-G77 PolarHBondContact O-N 2.93Å |
| 74 | T | 62.3 | Low | 81.9 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 60% | 0.595 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.8 | -35.9 | -173 | -49.6 | 0 | 0 | 0 | 0 | 112.3 | S70 T78 | S70-T74 WeakPolarHBondContact O-CB 3.49Å; S70-T74 PolarHBondContact O-N 3.46Å; S70-T74 VanDerWaalsContact O-N 3.1Å; S70-T74 PolarHBondContact O-OG1 3.43Å; T74-T78 WeakPolarHBondContact O-CB 3.34Å; T74-T78 PolarHBondContact O-OG1 3.3Å |
| 75 | G | 64.6 | Low | 81.9 | Confident | 46 Ų | 46 | 94 Ų | 94 | 47% | 0.474 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -84.9 | -46.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | S79 | G75-S79 PolarHBondContact O-OG 2.81Å; G75-S79 VanDerWaalsContact O-OG 3.05Å |
| 76 | D | 67.3 | Low | 82 | Confident | 115 Ų | 115 | 96.3 Ų | 96.3 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -84.7 | -38.6 | -176.3 | -171.3 | 38.8 | 0 | 0 | 0 | 112.1 | E72 T78 S79 R80 | E72-D76 PolarHBondContact O-N 2.71Å; D76-T78 PolarHBondContact O-N 3.06Å; D76-S79 PolarHBondContact O-N 3.46Å; D76-R80 WeakPolarHBondContact O-CB 3.27Å; D76-R80 PolarHBondContact O-N 2.92Å |
| 77 | G | 74.4 | Confident | 82.2 | Confident | 29 Ų | 29 | 98.7 Ų | 98.7 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q73 S81 | Q73-G77 VanDerWaalsContact O-CA 3.27Å; Q73-G77 WeakPolarHBondContact O-CA 3.19Å; Q73-G77 PolarHBondContact O-N 2.93Å; G77-S81 WeakPolarHBondContact O-CB 3.25Å; G77-S81 PolarHBondContact O-N 2.89Å |
| 78 | T | 80.4 | Confident | 82.7 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.9 | -41.5 | 177.8 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | T74 D76 S81 S82 | T74-T78 WeakPolarHBondContact O-CB 3.34Å; T74-T78 PolarHBondContact O-OG1 3.3Å; D76-T78 PolarHBondContact O-N 3.06Å; T78-S81 PolarHBondContact O-N 3.33Å; T78-S82 WeakPolarHBondContact O-CB 3.49Å; T78-S82 PolarHBondContact O-N 3.05Å |
| 79 | S | 83.8 | Confident | 83.2 | Confident | 77 Ų | 77 | 100.8 Ų | 100.8 | 54% | 0.538 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -47 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | G75 D76 S81 S82 E83 | G75-S79 PolarHBondContact O-OG 2.81Å; G75-S79 VanDerWaalsContact O-OG 3.05Å; D76-S79 PolarHBondContact O-N 3.46Å; S79-S81 PolarHBondContact O-N 3.19Å; S79-S82 PolarHBondContact O-N 3.41Å; S79-E83 PolarHBondContact O-N 2.95Å |
| 80 | R | 88.4 | Confident | 83.9 | Confident | 170 Ų | 170 | 100.1 Ų | 100.1 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 174.9 | -178.7 | 175.5 | 177.3 | 142.1 | 0.3 | 112.7 | D76 E83 L84 | D76-R80 WeakPolarHBondContact O-CB 3.27Å; D76-R80 PolarHBondContact O-N 2.92Å; R80-E83 PolarHBondContact O-N 3.41Å; R80-L84 HydrophobicContact CG-CD1 4.25Å; R80-L84 WeakPolarHBondContact O-CB 3.35Å; R80-L84 WeakPolarHBondContact O-CG 3.45Å; R80-L84 PolarHBondContact O-N 3.32Å |
| 81 | S | 88.9 | Confident | 84.9 | Confident | 77 Ų | 77 | 102 Ų | 102 | 54% | 0.538 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | G77 T78 S79 L84 K85 | G77-S81 WeakPolarHBondContact O-CB 3.25Å; G77-S81 PolarHBondContact O-N 2.89Å; T78-S81 PolarHBondContact O-N 3.33Å; S79-S81 PolarHBondContact O-N 3.19Å; S81-L84 PolarHBondContact O-N 3.23Å; S81-K85 WeakPolarHBondContact O-CB 3.4Å; S81-K85 PolarHBondContact O-N 2.95Å |
| 82 | S | 90.8 | Very high | 86.1 | Confident | 77 Ų | 77 | 104.5 Ų | 104.5 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 112 | T78 S79 K85 K86 | T78-S82 WeakPolarHBondContact O-CB 3.49Å; T78-S82 PolarHBondContact O-N 3.05Å; S79-S82 PolarHBondContact O-N 3.41Å; S82-K85 PolarHBondContact O-N 3.33Å; S82-K86 PolarHBondContact O-N 3.39Å |
| 83 | E | 94.4 | Very high | 87.5 | Confident | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.9 | -171.3 | 179.2 | -177.8 | 0 | 0 | 111.9 | S79 R80 K85 K86 R87 | S79-E83 PolarHBondContact O-N 2.95Å; R80-E83 PolarHBondContact O-N 3.41Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.49Å; E83-K86 PolarHBondContact O-N 3.42Å; E83-R87 WeakPolarHBondContact O-CG 3.31Å; E83-R87 PolarHBondContact O-N 2.94Å |
| 84 | L | 95.5 | Very high | 89.1 | Confident | 101 Ų | 101 | 99.2 Ų | 99.2 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 175.3 | -75 | 171.2 | 0 | 0 | 0 | 111.5 | R80 S81 K86 R87 C88 | R80-L84 HydrophobicContact CG-CD1 4.25Å; R80-L84 WeakPolarHBondContact O-CB 3.35Å; R80-L84 WeakPolarHBondContact O-CG 3.45Å; R80-L84 PolarHBondContact O-N 3.32Å; S81-L84 PolarHBondContact O-N 3.23Å; L84-K86 PolarHBondContact O-N 3.5Å; L84-R87 PolarHBondContact O-N 2.87Å; L84-C88 PolarHBondContact O-N 3.44Å; L84-C88 PolarHBondContact O-SG 2.93Å |
| 85 | K | 96.6 | Very high | 90.8 | Very high | 132 Ų | 132 | 99.4 Ų | 99.4 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -46.1 | 176.4 | -173.5 | 177 | 178.6 | -179.5 | 0 | 111.6 | S81 S82 E83 R87 C88 E89 | S81-K85 WeakPolarHBondContact O-CB 3.4Å; S81-K85 PolarHBondContact O-N 2.95Å; S82-K85 PolarHBondContact O-N 3.33Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.49Å; K85-R87 VanDerWaalsContact C-N 3.31Å; K85-R87 PolarHBondContact O-N 3.4Å; K85-C88 WeakPolarHBondContact O-CB 3.34Å; K85-C88 PolarHBondContact O-N 2.97Å; K85-E89 VanDerWaalsContact CE-OE1 3.25Å; K85-E89 WeakPolarHBondContact CE-OE1 3.47Å; K85-E89 WeakPolarHBondContact O-CG 3.42Å; K85-E89 PolarHBondContact O-N 3.48Å |
| 86 | K | 97.3 | Very high | 92.4 | Very high | 142 Ų | 142 | 103.5 Ų | 103.5 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 175.7 | -173.6 | -179.1 | 176.6 | -175.8 | 0 | 111.8 | S82 E83 L84 E89 E90 | S82-K86 PolarHBondContact O-N 3.39Å; E83-K86 PolarHBondContact O-N 3.42Å; L84-K86 PolarHBondContact O-N 3.5Å; K86-E89 PolarHBondContact O-N 3.35Å; K86-E90 WeakPolarHBondContact O-CB 3.28Å; K86-E90 PolarHBondContact O-N 3.39Å |
| 87 | R | 97.8 | Very high | 93.9 | Very high | 149 Ų | 149 | 102.3 Ų | 102.3 | 56% | 0.562 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 175.4 | -70.2 | -65.9 | -171.7 | 142 | 3.7 | 112.1 | E83 L84 K85 E90 L91 | E83-R87 WeakPolarHBondContact O-CG 3.31Å; E83-R87 PolarHBondContact O-N 2.94Å; L84-R87 PolarHBondContact O-N 2.87Å; K85-R87 VanDerWaalsContact C-N 3.31Å; K85-R87 PolarHBondContact O-N 3.4Å; R87-E90 PolarHBondContact O-N 2.94Å; R87-L91 WeakPolarHBondContact O-CB 3.46Å; R87-L91 VanDerWaalsContact O-CG 3.27Å; R87-L91 WeakPolarHBondContact O-CG 3.37Å; R87-L91 PolarHBondContact O-N 2.85Å |
| 88 | C | 97.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 107 Ų | 107 | 46% | 0.459 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 173.7 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | L84 K85 E90 L91 E92 | L84-C88 PolarHBondContact O-N 3.44Å; L84-C88 PolarHBondContact O-SG 2.93Å; K85-C88 WeakPolarHBondContact O-CB 3.34Å; K85-C88 PolarHBondContact O-N 2.97Å; C88-E90 VanDerWaalsContact C-N 3.3Å; C88-E90 PolarHBondContact O-N 3.46Å; C88-L91 PolarHBondContact O-N 3.37Å; C88-E92 WeakPolarHBondContact O-CB 3.41Å; C88-E92 WeakPolarHBondContact O-CG 3.32Å; C88-E92 PolarHBondContact O-N 2.92Å |
| 89 | E | 98.3 | Very high | 95.9 | Very high | 105 Ų | 105 | 108.2 Ų | 108.2 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 177.8 | -71.2 | 171.2 | -171.7 | 0 | 0 | 112 | K85 K86 E92 A93 | K85-E89 VanDerWaalsContact CE-OE1 3.25Å; K85-E89 WeakPolarHBondContact CE-OE1 3.47Å; K85-E89 WeakPolarHBondContact O-CG 3.42Å; K85-E89 PolarHBondContact O-N 3.48Å; K86-E89 PolarHBondContact O-N 3.35Å; E89-E92 PolarHBondContact O-N 3.36Å; E89-A93 WeakPolarHBondContact O-CB 3.38Å; E89-A93 PolarHBondContact O-N 2.9Å |
| 90 | E | 98.4 | Very high | 96.6 | Very high | 94 Ų | 94 | 109 Ų | 109 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 177 | -179.1 | 158.9 | -155.3 | 0 | 0 | 112.5 | K86 R87 C88 A93 Q94 | K86-E90 WeakPolarHBondContact O-CB 3.28Å; K86-E90 PolarHBondContact O-N 3.39Å; R87-E90 PolarHBondContact O-N 2.94Å; C88-E90 VanDerWaalsContact C-N 3.3Å; C88-E90 PolarHBondContact O-N 3.46Å; E90-A93 PolarHBondContact O-N 3.24Å; E90-Q94 VanDerWaalsContact O-CG 3.31Å; E90-Q94 WeakPolarHBondContact O-CG 3.42Å; E90-Q94 PolarHBondContact O-N 3.48Å |
| 91 | L | 98.4 | Very high | 97.1 | Very high | 107 Ų | 107 | 105.4 Ų | 105.4 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 174.6 | -73.8 | 172.8 | 0 | 0 | 0 | 111.9 | R87 C88 Q94 L95 | R87-L91 WeakPolarHBondContact O-CB 3.46Å; R87-L91 VanDerWaalsContact O-CG 3.27Å; R87-L91 WeakPolarHBondContact O-CG 3.37Å; R87-L91 PolarHBondContact O-N 2.85Å; C88-L91 PolarHBondContact O-N 3.37Å; L91-Q94 PolarHBondContact O-N 2.85Å; L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 PolarHBondContact O-N 3.21Å |
| 92 | E | 98.1 | Very high | 97.6 | Very high | 133 Ų | 133 | 106.1 Ų | 106.1 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 173.9 | -75.4 | 175.2 | -168.5 | 0 | 0 | 111.5 | C88 E89 L95 K96 | C88-E92 WeakPolarHBondContact O-CB 3.41Å; C88-E92 WeakPolarHBondContact O-CG 3.32Å; C88-E92 PolarHBondContact O-N 2.92Å; E89-E92 PolarHBondContact O-N 3.36Å; E92-L95 PolarHBondContact O-N 3.45Å; E92-K96 WeakPolarHBondContact O-CB 3.27Å; E92-K96 PolarHBondContact O-N 2.94Å |
| 93 | A | 98.4 | Very high | 97.9 | Very high | 54 Ų | 54 | 104.3 Ų | 104.3 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E89 E90 K96 V97 | E89-A93 WeakPolarHBondContact O-CB 3.38Å; E89-A93 PolarHBondContact O-N 2.9Å; E90-A93 PolarHBondContact O-N 3.24Å; A93-K96 PolarHBondContact O-N 2.93Å; A93-V97 WeakPolarHBondContact O-CG2 3.41Å; A93-V97 PolarHBondContact O-N 3.3Å |
| 94 | Q | 98.4 | Very high | 98.2 | Very high | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 175.8 | -73.8 | 178.7 | 41.8 | 0 | 0 | 111.9 | E90 L91 K96 V97 K98 | E90-Q94 VanDerWaalsContact O-CG 3.31Å; E90-Q94 WeakPolarHBondContact O-CG 3.42Å; E90-Q94 PolarHBondContact O-N 3.48Å; L91-Q94 PolarHBondContact O-N 2.85Å; Q94-K96 VanDerWaalsContact C-N 3.34Å; Q94-K96 PolarHBondContact O-N 2.93Å; Q94-V97 PolarHBondContact O-N 3Å; Q94-K98 WeakPolarHBondContact O-CG 3.31Å; Q94-K98 PolarHBondContact O-N 3.16Å |
| 95 | L | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 103.7 Ų | 103.7 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 176.5 | -177.4 | 142.2 | 0 | 0 | 0 | 110.5 | L91 E92 V97 K98 E99 | L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 PolarHBondContact O-N 3.21Å; E92-L95 PolarHBondContact O-N 3.45Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 3.36Å; L95-K98 CarbonylContact O-C 3.6Å; L95-K98 PolarHBondContact O-N 3.24Å; L95-K98 VanDerWaalsContact O-N 3.12Å; L95-E99 HydrophobicContact CD2-CG 4.12Å; L95-E99 VanDerWaalsContact CD2-OE1 3.31Å; L95-E99 WeakPolarHBondContact CD2-OE1 3.44Å; L95-E99 WeakPolarHBondContact O-CG 3.26Å; L95-E99 PolarHBondContact O-N 3.02Å |
| 96 | K | 98.7 | Very high | 98.4 | Very high | 133 Ų | 133 | 102.3 Ų | 102.3 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -38.9 | 176.9 | -170.5 | 172.4 | -174.4 | 173.9 | 0 | 113.2 | E92 A93 Q94 E99 N100 | E92-K96 WeakPolarHBondContact O-CB 3.27Å; E92-K96 PolarHBondContact O-N 2.94Å; A93-K96 PolarHBondContact O-N 2.93Å; Q94-K96 VanDerWaalsContact C-N 3.34Å; Q94-K96 PolarHBondContact O-N 2.93Å; K96-E99 PolarHBondContact O-N 3.41Å; K96-N100 WeakPolarHBondContact O-CB 3.47Å; K96-N100 PolarHBondContact O-N 2.81Å; K96-N100 PolarHBondContact O-ND2 3.49Å |
| 97 | V | 98.6 | Very high | 98.5 | Very high | 90 Ų | 90 | 101 Ų | 101 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.1 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | A93 Q94 L95 N100 E101 | A93-V97 WeakPolarHBondContact O-CG2 3.41Å; A93-V97 PolarHBondContact O-N 3.3Å; Q94-V97 PolarHBondContact O-N 3Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 3.36Å; V97-N100 PolarHBondContact O-N 2.92Å; V97-E101 WeakPolarHBondContact O-CB 3.39Å; V97-E101 PolarHBondContact O-N 3.12Å |
| 98 | K | 98.6 | Very high | 98.5 | Very high | 128 Ų | 128 | 98.1 Ų | 98.1 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.9 | -36.2 | 178.4 | -70.2 | -59.2 | -178.5 | -172.2 | 0 | 113.3 | Q94 L95 E101 N102 | Q94-K98 WeakPolarHBondContact O-CG 3.31Å; Q94-K98 PolarHBondContact O-N 3.16Å; L95-K98 CarbonylContact O-C 3.6Å; L95-K98 PolarHBondContact O-N 3.24Å; L95-K98 VanDerWaalsContact O-N 3.12Å; K98-E101 WeakPolarHBondContact CD-OE2 3.35Å; K98-E101 IonicContact NZ-OE1 3.75Å; K98-E101 IonicContact NZ-OE2 2.92Å; K98-E101 PolarHBondContact NZ-OE2 3.39Å; K98-E101 PolarHBondContact O-N 2.88Å; K98-N102 VanDerWaalsContact O-CB 3.26Å; K98-N102 WeakPolarHBondContact O-CB 3.38Å; K98-N102 PolarHBondContact O-N 3.33Å |
| 99 | E | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 99.6 Ų | 99.6 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 172.4 | -74 | 178 | 152.1 | 0 | 0 | 111.5 | L95 K96 N102 A103 | L95-E99 HydrophobicContact CD2-CG 4.12Å; L95-E99 VanDerWaalsContact CD2-OE1 3.31Å; L95-E99 WeakPolarHBondContact CD2-OE1 3.44Å; L95-E99 WeakPolarHBondContact O-CG 3.26Å; L95-E99 PolarHBondContact O-N 3.02Å; K96-E99 PolarHBondContact O-N 3.41Å; E99-N102 PolarHBondContact O-N 3.49Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 3Å |
| 100 | N | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 101.3 Ų | 101.3 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 176.2 | -69.9 | -21.3 | 0 | 0 | 0 | 111.9 | K96 V97 N102 A103 E104 | K96-N100 WeakPolarHBondContact O-CB 3.47Å; K96-N100 PolarHBondContact O-N 2.81Å; K96-N100 PolarHBondContact O-ND2 3.49Å; V97-N100 PolarHBondContact O-N 2.92Å; N100-N102 VanDerWaalsContact C-N 3.32Å; N100-N102 PolarHBondContact O-N 3.27Å; N100-A103 PolarHBondContact O-N 2.91Å; N100-E104 WeakPolarHBondContact O-CG 3.45Å; N100-E104 PolarHBondContact O-N 3.49Å |
| 101 | E | 98.6 | Very high | 98.6 | Very high | 93 Ų | 93 | 103.6 Ų | 103.6 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 176.1 | -175.6 | -178.7 | -178.7 | 0 | 0 | 111 | V97 K98 E104 L105 | V97-E101 WeakPolarHBondContact O-CB 3.39Å; V97-E101 PolarHBondContact O-N 3.12Å; K98-E101 WeakPolarHBondContact CD-OE2 3.35Å; K98-E101 IonicContact NZ-OE1 3.75Å; K98-E101 IonicContact NZ-OE2 2.92Å; K98-E101 PolarHBondContact NZ-OE2 3.39Å; K98-E101 PolarHBondContact O-N 2.88Å; E101-E104 PolarHBondContact O-N 2.97Å; E101-L105 HydrophobicContact CG-CD1 4.35Å; E101-L105 WeakPolarHBondContact O-CG 3.49Å; E101-L105 PolarHBondContact O-N 2.93Å |
| 102 | N | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 103.4 Ų | 103.4 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.8 | -168 | -19.5 | 0 | 0 | 0 | 111.8 | K98 E99 N100 E104 L105 L106 | K98-N102 VanDerWaalsContact O-CB 3.26Å; K98-N102 WeakPolarHBondContact O-CB 3.38Å; K98-N102 PolarHBondContact O-N 3.33Å; E99-N102 PolarHBondContact O-N 3.49Å; N100-N102 VanDerWaalsContact C-N 3.32Å; N100-N102 PolarHBondContact O-N 3.27Å; N102-E104 VanDerWaalsContact C-N 3.31Å; N102-E104 PolarHBondContact O-N 2.71Å; N102-L105 PolarHBondContact O-N 3.4Å; N102-L106 WeakPolarHBondContact O-CG 3.47Å; N102-L106 PolarHBondContact O-N 3.44Å |
| 103 | A | 98.7 | Very high | 98.7 | Very high | 39 Ų | 39 | 101 Ų | 101 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E99 N100 K107 | E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 3Å; N100-A103 PolarHBondContact O-N 2.91Å; A103-K107 WeakPolarHBondContact O-CG 3.33Å; A103-K107 PolarHBondContact O-N 3.44Å; A103-K107 VanDerWaalsContact O-N 3.16Å |
| 104 | E | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 175.4 | -66.2 | -52.9 | 123.2 | 0 | 0 | 112.2 | N100 E101 N102 L106 K107 E108 | N100-E104 WeakPolarHBondContact O-CG 3.45Å; N100-E104 PolarHBondContact O-N 3.49Å; E101-E104 PolarHBondContact O-N 2.97Å; N102-E104 VanDerWaalsContact C-N 3.31Å; N102-E104 PolarHBondContact O-N 2.71Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 2.9Å; E104-K107 WeakPolarHBondContact O-CB 3.49Å; E104-K107 PolarHBondContact O-N 2.92Å; E104-K107 IonicContact OE1-NZ 3.78Å; E104-K107 PolarHBondContact OE1-NZ 3.4Å; E104-K107 IonicContact OE2-NZ 2.87Å; E104-E108 PolarHBondContact O-N 2.94Å |
| 105 | L | 98.7 | Very high | 98.7 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 174.7 | -72.2 | 172.7 | 0 | 0 | 0 | 112.3 | E101 N102 E108 L109 | E101-L105 HydrophobicContact CG-CD1 4.35Å; E101-L105 WeakPolarHBondContact O-CG 3.49Å; E101-L105 PolarHBondContact O-N 2.93Å; N102-L105 PolarHBondContact O-N 3.4Å; L105-E108 PolarHBondContact O-N 3.2Å; L105-L109 VanDerWaalsContact O-CB 3.3Å; L105-L109 WeakPolarHBondContact O-CB 3.38Å; L105-L109 PolarHBondContact O-N 3.27Å |
| 106 | L | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 175.2 | -75.6 | 172.3 | 0 | 0 | 0 | 111.8 | N102 E104 L109 E110 | N102-L106 WeakPolarHBondContact O-CG 3.47Å; N102-L106 PolarHBondContact O-N 3.44Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 2.9Å; L106-L109 PolarHBondContact O-N 3.32Å; L106-E110 WeakPolarHBondContact O-CB 3.49Å; L106-E110 PolarHBondContact O-N 3.39Å |
| 107 | K | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.7 | -70.5 | 172.5 | -172.3 | 167.5 | 0 | 111.9 | A103 E104 L109 E110 Q111 | A103-K107 WeakPolarHBondContact O-CG 3.33Å; A103-K107 PolarHBondContact O-N 3.44Å; A103-K107 VanDerWaalsContact O-N 3.16Å; E104-K107 WeakPolarHBondContact O-CB 3.49Å; E104-K107 PolarHBondContact O-N 2.92Å; E104-K107 IonicContact OE1-NZ 3.78Å; E104-K107 PolarHBondContact OE1-NZ 3.4Å; E104-K107 IonicContact OE2-NZ 2.87Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.47Å; K107-E110 PolarHBondContact O-N 2.88Å; K107-Q111 WeakPolarHBondContact O-CB 3.3Å; K107-Q111 PolarHBondContact O-N 3.38Å |
| 108 | E | 98.7 | Very high | 98.7 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 178.2 | -168.1 | -174.8 | 170.1 | 0 | 0 | 111.2 | E104 L105 Q111 K112 | E104-E108 PolarHBondContact O-N 2.94Å; L105-E108 PolarHBondContact O-N 3.2Å; E108-Q111 PolarHBondContact O-N 3.33Å; E108-K112 HydrophobicContact CG-CD 4.4Å; E108-K112 WeakPolarHBondContact O-CB 3.46Å; E108-K112 WeakPolarHBondContact O-CG 3.41Å; E108-K112 PolarHBondContact O-N 3.44Å; E108-K112 WeakPolarHBondContact OE1-CE 3.33Å; E108-K112 IonicContact OE1-NZ 3.51Å; E108-K112 PolarHBondContact OE1-NZ 3.37Å |
| 109 | L | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 96.3 Ų | 96.3 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.7 | -175.2 | 142.7 | 0 | 0 | 0 | 111.6 | L105 L106 K107 K112 N113 | L105-L109 VanDerWaalsContact O-CB 3.3Å; L105-L109 WeakPolarHBondContact O-CB 3.38Å; L105-L109 PolarHBondContact O-N 3.27Å; L106-L109 PolarHBondContact O-N 3.32Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.47Å; L109-K112 PolarHBondContact O-N 2.74Å; L109-N113 VanDerWaalsContact CD2-ND2 3.26Å; L109-N113 WeakPolarHBondContact CD2-ND2 3.3Å; L109-N113 WeakPolarHBondContact O-CB 3.47Å; L109-N113 VanDerWaalsContact O-CG 3.3Å; L109-N113 PolarHBondContact O-N 3.47Å; L109-N113 PolarHBondContact O-ND2 3.3Å |
| 110 | E | 98.7 | Very high | 98.7 | Very high | 141 Ų | 141 | 95.5 Ų | 95.5 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.8 | -46.6 | 174.2 | -176 | 174.4 | -160.6 | 0 | 0 | 111.6 | L106 K107 K112 N113 A114 | L106-E110 WeakPolarHBondContact O-CB 3.49Å; L106-E110 PolarHBondContact O-N 3.39Å; K107-E110 PolarHBondContact O-N 2.88Å; E110-K112 PolarHBondContact O-N 2.92Å; E110-N113 PolarHBondContact O-N 3.24Å; E110-A114 WeakPolarHBondContact O-CB 3.33Å; E110-A114 PolarHBondContact O-N 2.96Å |
| 111 | Q | 98.8 | Very high | 98.7 | Very high | 143 Ų | 143 | 94.5 Ų | 94.5 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.9 | -44.8 | 176.7 | -175 | -176 | 10.6 | 0 | 0 | 112 | K107 E108 A114 M115 | K107-Q111 WeakPolarHBondContact O-CB 3.3Å; K107-Q111 PolarHBondContact O-N 3.38Å; E108-Q111 PolarHBondContact O-N 3.33Å; Q111-A114 PolarHBondContact O-N 2.85Å; Q111-M115 PolarHBondContact O-N 3.44Å |
| 112 | K | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 92 Ų | 92 | 44% | 0.443 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.3 | -75.2 | 176.1 | -175.4 | 165.4 | 0 | 111.5 | E108 L109 E110 A114 M115 I116 | E108-K112 HydrophobicContact CG-CD 4.4Å; E108-K112 WeakPolarHBondContact O-CB 3.46Å; E108-K112 WeakPolarHBondContact O-CG 3.41Å; E108-K112 PolarHBondContact O-N 3.44Å; E108-K112 WeakPolarHBondContact OE1-CE 3.33Å; E108-K112 IonicContact OE1-NZ 3.51Å; E108-K112 PolarHBondContact OE1-NZ 3.37Å; L109-K112 PolarHBondContact O-N 2.74Å; E110-K112 PolarHBondContact O-N 2.92Å; K112-A114 VanDerWaalsContact C-N 3.35Å; K112-A114 PolarHBondContact O-N 2.98Å; K112-M115 PolarHBondContact O-N 3.25Å; K112-I116 VanDerWaalsContact O-CG1 3.3Å; K112-I116 WeakPolarHBondContact O-CG1 3.26Å; K112-I116 PolarHBondContact O-N 3.33Å |
| 113 | N | 98.8 | Very high | 98.7 | Very high | 82 Ų | 82 | 92 Ų | 92 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 176.3 | -75.9 | -25.5 | 0 | 0 | 0 | 112.4 | L109 E110 M115 I116 T117 | L109-N113 VanDerWaalsContact CD2-ND2 3.26Å; L109-N113 WeakPolarHBondContact CD2-ND2 3.3Å; L109-N113 WeakPolarHBondContact O-CB 3.47Å; L109-N113 VanDerWaalsContact O-CG 3.3Å; L109-N113 PolarHBondContact O-N 3.47Å; L109-N113 PolarHBondContact O-ND2 3.3Å; E110-N113 PolarHBondContact O-N 3.24Å; N113-M115 VanDerWaalsContact C-N 3.35Å; N113-I116 PolarHBondContact O-N 3.38Å; N113-T117 PolarHBondContact O-N 3.38Å; N113-T117 PolarHBondContact O-OG1 3.27Å |
| 114 | A | 98.7 | Very high | 98.8 | Very high | 54 Ų | 54 | 95.7 Ų | 95.7 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E110 Q111 K112 T117 V118 | E110-A114 WeakPolarHBondContact O-CB 3.33Å; E110-A114 PolarHBondContact O-N 2.96Å; Q111-A114 PolarHBondContact O-N 2.85Å; K112-A114 VanDerWaalsContact C-N 3.35Å; K112-A114 PolarHBondContact O-N 2.98Å; A114-T117 WeakPolarHBondContact O-CB 3.46Å; A114-T117 PolarHBondContact O-N 3.31Å; A114-V118 WeakPolarHBondContact O-CG2 3.11Å; A114-V118 PolarHBondContact O-N 3.06Å |
| 115 | M | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 95.9 Ų | 95.9 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 176.4 | -176.4 | 164.7 | 64.2 | 0 | 0 | 112.4 | Q111 K112 N113 T117 V118 L119 | Q111-M115 PolarHBondContact O-N 3.44Å; K112-M115 PolarHBondContact O-N 3.25Å; N113-M115 VanDerWaalsContact C-N 3.35Å; M115-T117 VanDerWaalsContact C-N 3.31Å; M115-T117 PolarHBondContact O-N 3.34Å; M115-V118 PolarHBondContact O-N 3.23Å; M115-L119 HydrophobicContact CG-CD1 4.15Å; M115-L119 HydrophobicContact CG-CG 4.47Å; M115-L119 WeakPolarHBondContact O-CG 2.98Å; M115-L119 PolarHBondContact O-N 3.49Å |
| 116 | I | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 97.8 Ų | 97.8 | 42% | 0.415 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.4 | -48.3 | 173.8 | -71.4 | 165.5 | 0 | 0 | 0 | 109.8 | K112 N113 V118 L119 E120 | K112-I116 VanDerWaalsContact O-CG1 3.3Å; K112-I116 WeakPolarHBondContact O-CG1 3.26Å; K112-I116 PolarHBondContact O-N 3.33Å; N113-I116 PolarHBondContact O-N 3.38Å; I116-V118 VanDerWaalsContact C-N 3.32Å; I116-V118 PolarHBondContact O-N 2.97Å; I116-L119 PolarHBondContact O-N 3.35Å; I116-L119 VanDerWaalsContact O-N 3.15Å; I116-E120 HydrophobicContact CG2-CG 4.1Å; I116-E120 WeakPolarHBondContact O-CB 3.37Å; I116-E120 WeakPolarHBondContact O-CG 3.3Å; I116-E120 PolarHBondContact O-N 2.93Å |
| 117 | T | 98.8 | Very high | 98.8 | Very high | 73 Ų | 73 | 98.8 Ų | 98.8 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 180 | -54 | 0 | 0 | 0 | 0 | 112 | N113 A114 M115 N121 | N113-T117 PolarHBondContact O-N 3.38Å; N113-T117 PolarHBondContact O-OG1 3.27Å; A114-T117 WeakPolarHBondContact O-CB 3.46Å; A114-T117 PolarHBondContact O-N 3.31Å; M115-T117 VanDerWaalsContact C-N 3.31Å; M115-T117 PolarHBondContact O-N 3.34Å; T117-N121 WeakPolarHBondContact O-CB 3.49Å; T117-N121 VanDerWaalsContact O-CG 3.25Å; T117-N121 PolarHBondContact O-N 3.34Å; T117-N121 PolarHBondContact O-ND2 3.35Å |
| 118 | V | 98.8 | Very high | 98.8 | Very high | 90 Ų | 90 | 99.7 Ų | 99.7 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | A114 M115 I116 N121 T122 | A114-V118 WeakPolarHBondContact O-CG2 3.11Å; A114-V118 PolarHBondContact O-N 3.06Å; M115-V118 PolarHBondContact O-N 3.23Å; I116-V118 VanDerWaalsContact C-N 3.32Å; I116-V118 PolarHBondContact O-N 2.97Å; V118-N121 PolarHBondContact O-N 3.38Å; V118-T122 WeakPolarHBondContact O-CB 3.43Å; V118-T122 PolarHBondContact O-N 3.47Å; V118-T122 PolarHBondContact O-OG1 3.48Å |
| 119 | L | 98.8 | Very high | 98.8 | Very high | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 179.6 | -70.7 | 174.7 | 0 | 0 | 0 | 111.9 | M115 I116 N121 T122 I123 | M115-L119 HydrophobicContact CG-CD1 4.15Å; M115-L119 HydrophobicContact CG-CG 4.47Å; M115-L119 WeakPolarHBondContact O-CG 2.98Å; M115-L119 PolarHBondContact O-N 3.49Å; I116-L119 PolarHBondContact O-N 3.35Å; I116-L119 VanDerWaalsContact O-N 3.15Å; L119-N121 PolarHBondContact O-N 3.31Å; L119-T122 PolarHBondContact O-N 3.03Å; L119-I123 WeakPolarHBondContact O-CG1 3.29Å; L119-I123 PolarHBondContact O-N 2.86Å |
| 120 | E | 98.8 | Very high | 98.8 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 175.2 | -75.2 | -177 | 171.3 | 0 | 0 | 111.7 | I116 T122 I123 K124 | I116-E120 HydrophobicContact CG2-CG 4.1Å; I116-E120 WeakPolarHBondContact O-CB 3.37Å; I116-E120 WeakPolarHBondContact O-CG 3.3Å; I116-E120 PolarHBondContact O-N 2.93Å; E120-T122 VanDerWaalsContact C-N 3.32Å; E120-T122 PolarHBondContact O-N 3.39Å; E120-I123 PolarHBondContact O-N 2.92Å; E120-K124 WeakPolarHBondContact O-CB 3.46Å; E120-K124 VanDerWaalsContact O-CG 3.3Å; E120-K124 WeakPolarHBondContact O-CG 3.44Å; E120-K124 PolarHBondContact O-N 2.62Å |
| 121 | N | 98.8 | Very high | 98.8 | Very high | 75 Ų | 75 | 101 Ų | 101 | 40% | 0.401 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.5 | -72.9 | -20.5 | 0 | 0 | 0 | 111.3 | T117 V118 L119 I123 K124 E125 | T117-N121 WeakPolarHBondContact O-CB 3.49Å; T117-N121 VanDerWaalsContact O-CG 3.25Å; T117-N121 PolarHBondContact O-N 3.34Å; T117-N121 PolarHBondContact O-ND2 3.35Å; V118-N121 PolarHBondContact O-N 3.38Å; L119-N121 PolarHBondContact O-N 3.31Å; N121-I123 VanDerWaalsContact C-N 3.34Å; N121-I123 PolarHBondContact O-N 3.43Å; N121-K124 PolarHBondContact O-N 2.89Å; N121-E125 WeakPolarHBondContact O-CB 3.33Å; N121-E125 WeakPolarHBondContact O-CG 3.39Å; N121-E125 PolarHBondContact O-N 2.96Å |
| 122 | T | 98.7 | Very high | 98.8 | Very high | 39 Ų | 39 | 99.1 Ų | 99.1 | 24% | 0.239 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 179.3 | -48 | 0 | 0 | 0 | 0 | 111.7 | V118 L119 E120 R126 | V118-T122 WeakPolarHBondContact O-CB 3.43Å; V118-T122 PolarHBondContact O-N 3.47Å; V118-T122 PolarHBondContact O-OG1 3.48Å; L119-T122 PolarHBondContact O-N 3.03Å; E120-T122 VanDerWaalsContact C-N 3.32Å; E120-T122 PolarHBondContact O-N 3.39Å; T122-R126 WeakPolarHBondContact O-CG 3.48Å; T122-R126 PolarHBondContact O-N 3.21Å |
| 123 | I | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -50.6 | 175 | -70.3 | 168.9 | 0 | 0 | 0 | 109.9 | L119 E120 N121 E125 R126 E127 | L119-I123 WeakPolarHBondContact O-CG1 3.29Å; L119-I123 PolarHBondContact O-N 2.86Å; E120-I123 PolarHBondContact O-N 2.92Å; N121-I123 VanDerWaalsContact C-N 3.34Å; N121-I123 PolarHBondContact O-N 3.43Å; I123-E125 VanDerWaalsContact C-N 3.27Å; I123-E125 PolarHBondContact O-N 2.69Å; I123-R126 PolarHBondContact O-N 3.38Å; I123-R126 VanDerWaalsContact O-N 3.07Å; I123-E127 HydrophobicContact CG2-CG 4.19Å; I123-E127 WeakPolarHBondContact O-CG 3.47Å; I123-E127 PolarHBondContact O-N 2.93Å |
| 124 | K | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 100.2 Ų | 100.2 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.5 | -41.8 | 178.2 | -73.5 | 170.2 | -176 | 165.2 | 0 | 112.1 | E120 N121 K128 | E120-K124 WeakPolarHBondContact O-CB 3.46Å; E120-K124 VanDerWaalsContact O-CG 3.3Å; E120-K124 WeakPolarHBondContact O-CG 3.44Å; E120-K124 PolarHBondContact O-N 2.62Å; N121-K124 PolarHBondContact O-N 2.89Å; K124-K128 WeakPolarHBondContact O-CB 3.38Å; K124-K128 PolarHBondContact O-N 2.82Å |
| 125 | E | 98.7 | Very high | 98.8 | Very high | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.6 | -76.9 | 178.3 | -164.2 | 0 | 0 | 112.7 | N121 I123 K128 K129 | N121-E125 WeakPolarHBondContact O-CB 3.33Å; N121-E125 WeakPolarHBondContact O-CG 3.39Å; N121-E125 PolarHBondContact O-N 2.96Å; I123-E125 VanDerWaalsContact C-N 3.27Å; I123-E125 PolarHBondContact O-N 2.69Å; E125-K128 PolarHBondContact O-N 2.91Å; E125-K129 WeakPolarHBondContact O-CG 3.37Å; E125-K129 PolarHBondContact O-N 3.38Å |
| 126 | R | 98.8 | Very high | 98.8 | Very high | 136 Ų | 136 | 101.4 Ų | 101.4 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 176.2 | -74.6 | -171.3 | -177.5 | 105.7 | 5.1 | 111.9 | T122 I123 K128 K129 Y130 | T122-R126 WeakPolarHBondContact O-CG 3.48Å; T122-R126 PolarHBondContact O-N 3.21Å; I123-R126 PolarHBondContact O-N 3.38Å; I123-R126 VanDerWaalsContact O-N 3.07Å; R126-K128 VanDerWaalsContact C-N 3.32Å; R126-K128 PolarHBondContact O-N 3.15Å; R126-K129 PolarHBondContact O-N 3.5Å; R126-Y130 HydrophobicContact CB-CE2 4.3Å; R126-Y130 VanDerWaalsContact O-CD2 3.31Å; R126-Y130 WeakPolarHBondContact O-CD2 3.39Å; R126-Y130 PolarHBondContact O-N 3.01Å |
| 127 | E | 98.7 | Very high | 98.8 | Very high | 123 Ų | 123 | 104 Ų | 104 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.3 | -45.2 | 175.1 | -73.2 | 177.5 | 161.6 | 0 | 0 | 111.3 | I123 K129 Y130 L131 | I123-E127 HydrophobicContact CG2-CG 4.19Å; I123-E127 WeakPolarHBondContact O-CG 3.47Å; I123-E127 PolarHBondContact O-N 2.93Å; E127-K129 PolarHBondContact O-N 3.23Å; E127-Y130 PolarHBondContact O-N 2.98Å; E127-L131 WeakPolarHBondContact O-CB 3.29Å; E127-L131 PolarHBondContact O-N 3.44Å |
| 128 | K | 98.8 | Very high | 98.8 | Very high | 135 Ų | 135 | 103.8 Ų | 103.8 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.7 | -48.3 | 175.2 | -178.5 | 179.3 | 173.2 | -176.5 | 0 | 111.6 | K124 E125 R126 L131 E132 | K124-K128 WeakPolarHBondContact O-CB 3.38Å; K124-K128 PolarHBondContact O-N 2.82Å; E125-K128 PolarHBondContact O-N 2.91Å; R126-K128 VanDerWaalsContact C-N 3.32Å; R126-K128 PolarHBondContact O-N 3.15Å; K128-L131 PolarHBondContact O-N 2.96Å; K128-E132 WeakPolarHBondContact CE-OE1 3.39Å; K128-E132 WeakPolarHBondContact CG-OE1 3.33Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.43Å |
| 129 | K | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 105.2 Ų | 105.2 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 178.6 | -74.1 | 174.6 | -176.8 | 177.2 | 0 | 111.9 | E125 R126 E127 L131 E132 E133 | E125-K129 WeakPolarHBondContact O-CG 3.37Å; E125-K129 PolarHBondContact O-N 3.38Å; R126-K129 PolarHBondContact O-N 3.5Å; E127-K129 PolarHBondContact O-N 3.23Å; K129-L131 VanDerWaalsContact C-N 3.31Å; K129-L131 PolarHBondContact O-N 2.99Å; K129-E132 PolarHBondContact O-N 3.27Å; K129-E133 WeakPolarHBondContact O-CG 3.34Å; K129-E133 PolarHBondContact O-N 2.92Å |
| 130 | Y | 98.7 | Very high | 98.8 | Very high | 146 Ų | 146 | 107 Ų | 107 | 57% | 0.573 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -35.4 | 179.4 | -65 | -35.9 | 0 | 0 | 0 | 112.8 | R126 E127 E133 L134 | R126-Y130 HydrophobicContact CB-CE2 4.3Å; R126-Y130 VanDerWaalsContact O-CD2 3.31Å; R126-Y130 WeakPolarHBondContact O-CD2 3.39Å; R126-Y130 PolarHBondContact O-N 3.01Å; E127-Y130 PolarHBondContact O-N 2.98Å; Y130-E133 PolarHBondContact O-N 3.34Å; Y130-L134 VanDerWaalsContact O-CB 3.27Å; Y130-L134 WeakPolarHBondContact O-CB 3.37Å; Y130-L134 PolarHBondContact O-N 3.3Å |
| 131 | L | 98.8 | Very high | 98.8 | Very high | 90 Ų | 90 | 108.1 Ų | 108.1 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 174.8 | -175.6 | 64.4 | 0 | 0 | 0 | 111.8 | E127 K128 K129 L134 K135 | E127-L131 WeakPolarHBondContact O-CB 3.29Å; E127-L131 PolarHBondContact O-N 3.44Å; K128-L131 PolarHBondContact O-N 2.96Å; K129-L131 VanDerWaalsContact C-N 3.31Å; K129-L131 PolarHBondContact O-N 2.99Å; L131-L134 PolarHBondContact O-N 3.45Å; L131-K135 WeakPolarHBondContact O-CB 3.49Å; L131-K135 VanDerWaalsContact O-CG 3.29Å; L131-K135 WeakPolarHBondContact O-CG 3.31Å; L131-K135 PolarHBondContact O-N 2.85Å |
| 132 | E | 98.8 | Very high | 98.8 | Very high | 102 Ų | 102 | 108.5 Ų | 108.5 | 48% | 0.477 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175 | -73.5 | 171.1 | -174.6 | 0 | 0 | 111.6 | K128 K129 L134 K135 A136 | K128-E132 WeakPolarHBondContact CE-OE1 3.39Å; K128-E132 WeakPolarHBondContact CG-OE1 3.33Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.43Å; K129-E132 PolarHBondContact O-N 3.27Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.07Å; E132-K135 PolarHBondContact O-N 3.06Å; E132-A136 PolarHBondContact O-N 2.94Å |
| 133 | E | 98.8 | Very high | 98.8 | Very high | 95 Ų | 95 | 111.2 Ų | 111.2 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.7 | -73.9 | -178.7 | -151.4 | 0 | 0 | 112.4 | K129 Y130 A136 K137 | K129-E133 WeakPolarHBondContact O-CG 3.34Å; K129-E133 PolarHBondContact O-N 2.92Å; Y130-E133 PolarHBondContact O-N 3.34Å; E133-A136 PolarHBondContact O-N 3.27Å; E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 WeakPolarHBondContact O-CG 3.27Å; E133-K137 PolarHBondContact O-N 3.44Å; E133-K137 IonicContact OE2-NZ 2.62Å |
| 134 | L | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 111.9 Ų | 111.9 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 177.6 | -176.2 | 63.3 | 0 | 0 | 0 | 111.1 | Y130 L131 E132 K137 S138 | Y130-L134 VanDerWaalsContact O-CB 3.27Å; Y130-L134 WeakPolarHBondContact O-CB 3.37Å; Y130-L134 PolarHBondContact O-N 3.3Å; L131-L134 PolarHBondContact O-N 3.45Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.07Å; L134-K137 PolarHBondContact O-N 3.22Å; L134-S138 VanDerWaalsContact O-CB 3.24Å; L134-S138 WeakPolarHBondContact O-CB 3.47Å; L134-S138 PolarHBondContact O-N 3.41Å |
| 135 | K | 98.8 | Very high | 98.7 | Very high | 132 Ų | 132 | 109.7 Ų | 109.7 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 174.3 | -74.8 | 173 | -179.2 | 175 | 0 | 111.5 | L131 E132 S138 H139 | L131-K135 WeakPolarHBondContact O-CB 3.49Å; L131-K135 VanDerWaalsContact O-CG 3.29Å; L131-K135 WeakPolarHBondContact O-CG 3.31Å; L131-K135 PolarHBondContact O-N 2.85Å; E132-K135 PolarHBondContact O-N 3.06Å; K135-S138 PolarHBondContact O-N 3.48Å; K135-H139 WeakPolarHBondContact O-CB 3.24Å; K135-H139 PolarHBondContact O-N 2.95Å |
| 136 | A | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 107.6 Ų | 107.6 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -45 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | E132 E133 H139 K140 | E132-A136 PolarHBondContact O-N 2.94Å; E133-A136 PolarHBondContact O-N 3.27Å; A136-H139 PolarHBondContact O-N 2.89Å; A136-K140 PolarHBondContact O-N 3.23Å |
| 137 | K | 98.7 | Very high | 98.7 | Very high | 135 Ų | 135 | 104.8 Ų | 104.8 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 176.2 | -73.5 | 171.2 | -178.4 | 163.5 | 0 | 111.9 | E133 L134 K140 L141 | E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 WeakPolarHBondContact O-CG 3.27Å; E133-K137 PolarHBondContact O-N 3.44Å; E133-K137 IonicContact OE2-NZ 2.62Å; L134-K137 PolarHBondContact O-N 3.22Å; K137-K140 PolarHBondContact O-N 2.98Å; K137-L141 WeakPolarHBondContact O-CB 3.34Å; K137-L141 PolarHBondContact O-N 3.22Å |
| 138 | S | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 104.5 Ų | 104.5 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | L134 K135 K140 L141 T142 | L134-S138 VanDerWaalsContact O-CB 3.24Å; L134-S138 WeakPolarHBondContact O-CB 3.47Å; L134-S138 PolarHBondContact O-N 3.41Å; K135-S138 PolarHBondContact O-N 3.48Å; S138-K140 PolarHBondContact O-N 2.95Å; S138-L141 WeakPolarHBondContact O-CB 3.46Å; S138-L141 PolarHBondContact O-N 3.39Å; S138-L141 VanDerWaalsContact O-N 3.15Å; S138-T142 PolarHBondContact O-N 3Å; S138-T142 PolarHBondContact O-OG1 3.38Å |
| 139 | H | 98.8 | Very high | 98.7 | Very high | 119 Ų | 119 | 103.7 Ų | 103.7 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.7 | -44.6 | 177 | -176.9 | 59.8 | 0 | 0 | 0 | 112.2 | K135 A136 L141 T142 L143 | K135-H139 WeakPolarHBondContact O-CB 3.24Å; K135-H139 PolarHBondContact O-N 2.95Å; A136-H139 PolarHBondContact O-N 2.89Å; H139-L141 VanDerWaalsContact C-N 3.32Å; H139-L141 PolarHBondContact O-N 2.94Å; H139-T142 WeakPolarHBondContact O-CB 3.44Å; H139-T142 PolarHBondContact O-N 3.43Å; H139-L143 WeakPolarHBondContact O-CG 3.05Å; H139-L143 PolarHBondContact O-N 2.89Å |
| 140 | K | 98.7 | Very high | 98.7 | Very high | 138 Ų | 138 | 103.8 Ų | 103.8 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | 175.5 | -175.8 | 174.8 | -178.9 | 176.9 | 0 | 112.3 | A136 K137 S138 L143 L144 | A136-K140 PolarHBondContact O-N 3.23Å; K137-K140 PolarHBondContact O-N 2.98Å; S138-K140 PolarHBondContact O-N 2.95Å; K140-L143 PolarHBondContact O-N 2.99Å; K140-L144 HydrophobicContact CG-CD1 4.26Å; K140-L144 WeakPolarHBondContact O-CG 3.3Å; K140-L144 PolarHBondContact O-N 3.39Å |
| 141 | L | 98.8 | Very high | 98.7 | Very high | 119 Ų | 119 | 104.2 Ų | 104.2 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 176.1 | -173.5 | 153.4 | 0 | 0 | 0 | 110.9 | K137 S138 H139 L143 L144 S145 | K137-L141 WeakPolarHBondContact O-CB 3.34Å; K137-L141 PolarHBondContact O-N 3.22Å; S138-L141 WeakPolarHBondContact O-CB 3.46Å; S138-L141 PolarHBondContact O-N 3.39Å; S138-L141 VanDerWaalsContact O-N 3.15Å; H139-L141 VanDerWaalsContact C-N 3.32Å; H139-L141 PolarHBondContact O-N 2.94Å; L141-L143 PolarHBondContact O-N 3.33Å; L141-L144 PolarHBondContact O-N 3.42Å; L141-S145 VanDerWaalsContact O-CB 3.27Å; L141-S145 WeakPolarHBondContact O-CB 3.47Å; L141-S145 PolarHBondContact O-N 3.42Å |
| 142 | T | 98.7 | Very high | 98.7 | Very high | 83 Ų | 83 | 102 Ų | 102 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 175.1 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | S138 H139 S145 S146 | S138-T142 PolarHBondContact O-N 3Å; S138-T142 PolarHBondContact O-OG1 3.38Å; H139-T142 WeakPolarHBondContact O-CB 3.44Å; H139-T142 PolarHBondContact O-N 3.43Å; T142-S145 PolarHBondContact O-N 3.42Å; T142-S146 PolarHBondContact O-N 2.92Å; T142-S146 PolarHBondContact O-OG 3.48Å |
| 143 | L | 98.7 | Very high | 98.7 | Very high | 95 Ų | 95 | 100.3 Ų | 100.3 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.4 | -50.6 | 177.4 | -69.7 | 174.8 | 0 | 0 | 0 | 111.8 | H139 K140 L141 S145 S146 E147 | H139-L143 WeakPolarHBondContact O-CG 3.05Å; H139-L143 PolarHBondContact O-N 2.89Å; K140-L143 PolarHBondContact O-N 2.99Å; L141-L143 PolarHBondContact O-N 3.33Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 2.85Å; L143-S146 PolarHBondContact O-N 3.43Å; L143-S146 PolarHBondContact O-OG 3.45Å; L143-E147 PolarHBondContact O-N 2.91Å |
| 144 | L | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 99 Ų | 99 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | 178.9 | -69.4 | 174.1 | 0 | 0 | 0 | 112.4 | K140 L141 S146 E147 L148 | K140-L144 HydrophobicContact CG-CD1 4.26Å; K140-L144 WeakPolarHBondContact O-CG 3.3Å; K140-L144 PolarHBondContact O-N 3.39Å; L141-L144 PolarHBondContact O-N 3.42Å; L144-S146 VanDerWaalsContact C-N 3.34Å; L144-E147 PolarHBondContact O-N 3.27Å; L144-L148 WeakPolarHBondContact O-CB 3.16Å; L144-L148 PolarHBondContact O-N 3.46Å |
| 145 | S | 98.7 | Very high | 98.7 | Very high | 69 Ų | 69 | 98.8 Ų | 98.8 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 174.9 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | L141 T142 L143 L148 E149 | L141-S145 VanDerWaalsContact O-CB 3.27Å; L141-S145 WeakPolarHBondContact O-CB 3.47Å; L141-S145 PolarHBondContact O-N 3.42Å; T142-S145 PolarHBondContact O-N 3.42Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 2.85Å; S145-L148 PolarHBondContact O-N 3.21Å; S145-E149 WeakPolarHBondContact O-CB 3.43Å; S145-E149 PolarHBondContact O-N 3.38Å |
| 146 | S | 98.6 | Very high | 98.6 | Very high | 68 Ų | 68 | 95 Ų | 95 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 177.4 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | T142 L143 L144 E149 Q150 | T142-S146 PolarHBondContact O-N 2.92Å; T142-S146 PolarHBondContact O-OG 3.48Å; L143-S146 PolarHBondContact O-N 3.43Å; L143-S146 PolarHBondContact O-OG 3.45Å; L144-S146 VanDerWaalsContact C-N 3.34Å; S146-E149 PolarHBondContact O-N 3.5Å; S146-Q150 WeakPolarHBondContact O-CB 3.28Å; S146-Q150 PolarHBondContact O-N 3.2Å |
| 147 | E | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 99.1 Ų | 99.1 | 36% | 0.36 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 174.5 | 176.3 | 65.8 | -157 | 0 | 0 | 111.2 | L143 L144 Q150 R151 | L143-E147 PolarHBondContact O-N 2.91Å; L144-E147 PolarHBondContact O-N 3.27Å; E147-Q150 PolarHBondContact O-N 3.23Å; E147-R151 WeakPolarHBondContact O-CG 3.45Å; E147-R151 PolarHBondContact O-N 3.14Å; E147-R151 IonicContact OE1-CZ 2.64Å; E147-R151 IonicContact OE1-NE 2.62Å; E147-R151 PolarHBondContact OE1-NE 3.45Å; E147-R151 IonicContact OE1-NH2 3.35Å; E147-R151 PolarHBondContact OE1-NH2 2.75Å |
| 148 | L | 98.7 | Very high | 98.6 | Very high | 118 Ų | 118 | 97.4 Ų | 97.4 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 177.2 | -172.5 | 140.9 | 0 | 0 | 0 | 111.5 | L144 S145 R151 A152 | L144-L148 WeakPolarHBondContact O-CB 3.16Å; L144-L148 PolarHBondContact O-N 3.46Å; S145-L148 PolarHBondContact O-N 3.21Å; L148-R151 PolarHBondContact O-N 3.48Å; L148-A152 WeakPolarHBondContact O-CB 3.46Å; L148-A152 PolarHBondContact O-N 3.17Å |
| 149 | E | 98.5 | Very high | 98.6 | Very high | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.9 | -170.2 | 59.9 | -139 | 0 | 0 | 111.9 | S145 S146 R151 A152 S153 | S145-E149 WeakPolarHBondContact O-CB 3.43Å; S145-E149 PolarHBondContact O-N 3.38Å; S146-E149 PolarHBondContact O-N 3.5Å; E149-R151 PolarHBondContact O-N 3.16Å; E149-A152 PolarHBondContact O-N 3.41Å; E149-S153 WeakPolarHBondContact O-CB 3.44Å; E149-S153 PolarHBondContact O-N 2.93Å; E149-S153 PolarHBondContact O-OG 3.11Å |
| 150 | Q | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 94.9 Ų | 94.9 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 175.3 | -177.6 | 179 | -7.4 | 0 | 0 | 111.7 | S146 E147 S153 T154 | S146-Q150 WeakPolarHBondContact O-CB 3.28Å; S146-Q150 PolarHBondContact O-N 3.2Å; E147-Q150 PolarHBondContact O-N 3.23Å; Q150-S153 PolarHBondContact O-N 3.39Å; Q150-T154 PolarHBondContact O-N 3.11Å; Q150-T154 PolarHBondContact O-OG1 2.7Å |
| 151 | R | 98.5 | Very high | 98.5 | Very high | 155 Ų | 155 | 92.5 Ų | 92.5 | 59% | 0.585 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 174.9 | -71.5 | -179.7 | -172.6 | -140.3 | 0.1 | 111.6 | E147 L148 E149 S153 T154 I155 | E147-R151 WeakPolarHBondContact O-CG 3.45Å; E147-R151 PolarHBondContact O-N 3.14Å; E147-R151 IonicContact OE1-CZ 2.64Å; E147-R151 IonicContact OE1-NE 2.62Å; E147-R151 PolarHBondContact OE1-NE 3.45Å; E147-R151 IonicContact OE1-NH2 3.35Å; E147-R151 PolarHBondContact OE1-NH2 2.75Å; L148-R151 PolarHBondContact O-N 3.48Å; E149-R151 PolarHBondContact O-N 3.16Å; R151-S153 VanDerWaalsContact C-N 3.33Å; R151-S153 PolarHBondContact O-N 3.41Å; R151-T154 PolarHBondContact O-N 3.24Å; R151-I155 VanDerWaalsContact O-CG1 3.31Å; R151-I155 WeakPolarHBondContact O-CG1 3.46Å; R151-I155 PolarHBondContact O-N 3.43Å |
| 152 | A | 98.6 | Very high | 98.5 | Very high | 44 Ų | 44 | 92.2 Ų | 92.2 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L148 E149 T154 I155 A156 | L148-A152 WeakPolarHBondContact O-CB 3.46Å; L148-A152 PolarHBondContact O-N 3.17Å; E149-A152 PolarHBondContact O-N 3.41Å; A152-T154 VanDerWaalsContact C-N 3.34Å; A152-T154 PolarHBondContact O-N 3.33Å; A152-I155 PolarHBondContact O-N 3.38Å; A152-A156 WeakPolarHBondContact O-CB 3.34Å; A152-A156 PolarHBondContact O-N 3.01Å |
| 153 | S | 98.5 | Very high | 98.4 | Very high | 65 Ų | 65 | 93.7 Ų | 93.7 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 174.9 | -65 | 0 | 0 | 0 | 0 | 112.2 | E149 Q150 R151 A156 Y157 | E149-S153 WeakPolarHBondContact O-CB 3.44Å; E149-S153 PolarHBondContact O-N 2.93Å; E149-S153 PolarHBondContact O-OG 3.11Å; Q150-S153 PolarHBondContact O-N 3.39Å; R151-S153 VanDerWaalsContact C-N 3.33Å; R151-S153 PolarHBondContact O-N 3.41Å; S153-A156 PolarHBondContact O-N 3.36Å; S153-Y157 WeakPolarHBondContact O-CB 3.38Å; S153-Y157 PolarHBondContact O-N 2.94Å |
| 154 | T | 98.5 | Very high | 98.2 | Very high | 69 Ų | 69 | 91.6 Ų | 91.6 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 177 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | Q150 R151 A152 Y157 L158 | Q150-T154 PolarHBondContact O-N 3.11Å; Q150-T154 PolarHBondContact O-OG1 2.7Å; R151-T154 PolarHBondContact O-N 3.24Å; A152-T154 VanDerWaalsContact C-N 3.34Å; A152-T154 PolarHBondContact O-N 3.33Å; T154-Y157 PolarHBondContact O-N 3.3Å; T154-L158 HydrophobicContact CG2-CD1 4.12Å; T154-L158 HydrophobicContact CG2-CG 4.48Å; T154-L158 WeakPolarHBondContact O-CG 2.92Å; T154-L158 PolarHBondContact O-N 3.15Å |
| 155 | I | 98.5 | Very high | 98.1 | Very high | 107 Ų | 107 | 89.3 Ų | 89.3 | 55% | 0.549 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.7 | -68.7 | 165.7 | 0 | 0 | 0 | 110.3 | R151 A152 Y157 L158 T159 | R151-I155 VanDerWaalsContact O-CG1 3.31Å; R151-I155 WeakPolarHBondContact O-CG1 3.46Å; R151-I155 PolarHBondContact O-N 3.43Å; A152-I155 PolarHBondContact O-N 3.38Å; I155-Y157 VanDerWaalsContact C-N 3.3Å; I155-Y157 PolarHBondContact O-N 3.38Å; I155-L158 PolarHBondContact O-N 3.4Å; I155-T159 VanDerWaalsContact O-CB 3.24Å; I155-T159 WeakPolarHBondContact O-CB 3.15Å; I155-T159 PolarHBondContact O-N 3.21Å; I155-T159 PolarHBondContact O-OG1 3.42Å |
| 156 | A | 98.5 | Very high | 97.9 | Very high | 53 Ų | 53 | 92.1 Ų | 92.1 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A152 S153 S160 | A152-A156 WeakPolarHBondContact O-CB 3.34Å; A152-A156 PolarHBondContact O-N 3.01Å; S153-A156 PolarHBondContact O-N 3.36Å; A156-S160 WeakPolarHBondContact O-CB 3.46Å; A156-S160 PolarHBondContact O-N 3.45Å; A156-S160 PolarHBondContact O-OG 2.91Å |
| 157 | Y | 98.6 | Very high | 97.6 | Very high | 149 Ų | 149 | 96.1 Ų | 96.1 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -50.1 | 175.2 | 176.3 | -115.1 | 0 | 0 | 0 | 112.4 | S153 T154 I155 T159 S160 Q161 | S153-Y157 WeakPolarHBondContact O-CB 3.38Å; S153-Y157 PolarHBondContact O-N 2.94Å; T154-Y157 PolarHBondContact O-N 3.3Å; I155-Y157 VanDerWaalsContact C-N 3.3Å; I155-Y157 PolarHBondContact O-N 3.38Å; Y157-T159 VanDerWaalsContact C-N 3.34Å; Y157-T159 PolarHBondContact O-N 3.15Å; Y157-S160 WeakPolarHBondContact O-CB 3.32Å; Y157-S160 PolarHBondContact O-N 2.95Å; Y157-Q161 HydrophobicContact CE1-CG 4.46Å; Y157-Q161 HydrophobicContact CE2-CG 4.25Å; Y157-Q161 VanDerWaalsContact CZ-NE2 3.29Å; Y157-Q161 PolarHBondContact O-N 3.02Å |
| 158 | L | 98.5 | Very high | 97.4 | Very high | 99 Ų | 99 | 100.2 Ų | 100.2 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.3 | -69.3 | 172.9 | 0 | 0 | 0 | 112.2 | T154 I155 S160 Q161 L162 | T154-L158 HydrophobicContact CG2-CD1 4.12Å; T154-L158 HydrophobicContact CG2-CG 4.48Å; T154-L158 WeakPolarHBondContact O-CG 2.92Å; T154-L158 PolarHBondContact O-N 3.15Å; I155-L158 PolarHBondContact O-N 3.4Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-S160 PolarHBondContact O-N 3.02Å; L158-Q161 WeakPolarHBondContact O-CB 3.18Å; L158-Q161 PolarHBondContact O-N 2.69Å; L158-L162 WeakPolarHBondContact O-CB 3.42Å; L158-L162 PolarHBondContact O-N 2.98Å |
| 159 | T | 98.2 | Very high | 97 | Very high | 62 Ų | 62 | 100 Ų | 100 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.2 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | I155 Y157 L162 H163 | I155-T159 VanDerWaalsContact O-CB 3.24Å; I155-T159 WeakPolarHBondContact O-CB 3.15Å; I155-T159 PolarHBondContact O-N 3.21Å; I155-T159 PolarHBondContact O-OG1 3.42Å; Y157-T159 VanDerWaalsContact C-N 3.34Å; Y157-T159 PolarHBondContact O-N 3.15Å; T159-L162 PolarHBondContact O-N 3.21Å; T159-H163 PolarHBondContact O-CD2 3.25Å; T159-H163 PolarHBondContact O-N 2.98Å |
| 160 | S | 97.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 100.3 Ų | 100.3 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.9 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | A156 Y157 L158 H163 A164 | A156-S160 WeakPolarHBondContact O-CB 3.46Å; A156-S160 PolarHBondContact O-N 3.45Å; A156-S160 PolarHBondContact O-OG 2.91Å; Y157-S160 WeakPolarHBondContact O-CB 3.32Å; Y157-S160 PolarHBondContact O-N 2.95Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-S160 PolarHBondContact O-N 3.02Å; S160-H163 PolarHBondContact O-N 3.38Å; S160-A164 WeakPolarHBondContact O-CB 3.43Å; S160-A164 PolarHBondContact O-N 2.85Å |
| 161 | Q | 98.1 | Very high | 95.4 | Very high | 88 Ų | 88 | 98.6 Ų | 98.6 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 174.5 | -75.3 | -172.8 | 82.7 | 0 | 0 | 112.3 | Y157 L158 A164 A165 | Y157-Q161 HydrophobicContact CE1-CG 4.46Å; Y157-Q161 HydrophobicContact CE2-CG 4.25Å; Y157-Q161 VanDerWaalsContact CZ-NE2 3.29Å; Y157-Q161 PolarHBondContact O-N 3.02Å; L158-Q161 WeakPolarHBondContact O-CB 3.18Å; L158-Q161 PolarHBondContact O-N 2.69Å; Q161-A164 PolarHBondContact O-N 3.26Å; Q161-A165 WeakPolarHBondContact O-CB 3.27Å; Q161-A165 PolarHBondContact O-N 3.43Å |
| 162 | L | 97.3 | Very high | 93.8 | Very high | 113 Ų | 113 | 95.1 Ų | 95.1 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -46.4 | 176.3 | -170.6 | 160.8 | 0 | 0 | 0 | 110.7 | L158 T159 A164 A165 K166 | L158-L162 WeakPolarHBondContact O-CB 3.42Å; L158-L162 PolarHBondContact O-N 2.98Å; T159-L162 PolarHBondContact O-N 3.21Å; L162-A164 PolarHBondContact O-N 2.89Å; L162-A165 PolarHBondContact O-N 3.24Å; L162-K166 WeakPolarHBondContact O-CB 3.34Å; L162-K166 PolarHBondContact O-N 2.81Å |
| 163 | H | 96.6 | Very high | 92 | Very high | 114 Ų | 114 | 97 Ų | 97 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 175.5 | -76.4 | -60.8 | 0 | 0 | 0 | 112.5 | T159 S160 K166 K167 | T159-H163 PolarHBondContact O-CD2 3.25Å; T159-H163 PolarHBondContact O-N 2.98Å; S160-H163 PolarHBondContact O-N 3.38Å; H163-K166 PolarHBondContact O-N 2.78Å; H163-K167 WeakPolarHBondContact O-CB 3.4Å; H163-K167 PolarHBondContact O-N 2.98Å |
| 164 | A | 96 | Very high | 89.9 | Confident | 52 Ų | 52 | 96.8 Ų | 96.8 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S160 Q161 L162 K167 K168 | S160-A164 WeakPolarHBondContact O-CB 3.43Å; S160-A164 PolarHBondContact O-N 2.85Å; Q161-A164 PolarHBondContact O-N 3.26Å; L162-A164 PolarHBondContact O-N 2.89Å; A164-K167 PolarHBondContact O-N 3.45Å; A164-K168 WeakPolarHBondContact O-CG 3.39Å; A164-K168 PolarHBondContact O-N 3.16Å |
| 165 | A | 95.3 | Very high | 87.6 | Confident | 59 Ų | 59 | 99.7 Ų | 99.7 | 49% | 0.488 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q161 L162 K167 K168 L169 | Q161-A165 WeakPolarHBondContact O-CB 3.27Å; Q161-A165 PolarHBondContact O-N 3.43Å; L162-A165 PolarHBondContact O-N 3.24Å; A165-K167 VanDerWaalsContact C-N 3.31Å; A165-K167 PolarHBondContact O-N 3.35Å; A165-K168 PolarHBondContact O-N 3.16Å; A165-L169 PolarHBondContact O-N 3Å |
| 166 | K | 94.4 | Very high | 85 | Confident | 128 Ų | 128 | 99.7 Ų | 99.7 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.2 | -44.8 | 174.4 | -179.1 | 179.4 | 178.7 | 177.9 | 0 | 111.4 | L162 H163 L169 M170 | L162-K166 WeakPolarHBondContact O-CB 3.34Å; L162-K166 PolarHBondContact O-N 2.81Å; H163-K166 PolarHBondContact O-N 2.78Å; K166-L169 PolarHBondContact O-N 3.26Å; K166-M170 HydrophobicContact CG-CG 4.37Å; K166-M170 WeakPolarHBondContact O-CB 3.31Å; K166-M170 WeakPolarHBondContact O-CG 3.44Å; K166-M170 PolarHBondContact O-N 2.88Å |
| 167 | K | 93.8 | Very high | 82.4 | Confident | 153 Ų | 153 | 105 Ų | 105 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.3 | -46.2 | 177.2 | -173.6 | 178.6 | 179.1 | -179.1 | 0 | 111.2 | H163 A164 A165 L169 M170 S171 | H163-K167 WeakPolarHBondContact O-CB 3.4Å; H163-K167 PolarHBondContact O-N 2.98Å; A164-K167 PolarHBondContact O-N 3.45Å; A165-K167 VanDerWaalsContact C-N 3.31Å; A165-K167 PolarHBondContact O-N 3.35Å; K167-L169 PolarHBondContact O-N 2.92Å; K167-M170 PolarHBondContact O-N 2.92Å; K167-S171 WeakPolarHBondContact O-CB 3.44Å; K167-S171 PolarHBondContact O-N 3.08Å; K167-S171 PolarHBondContact O-OG 2.6Å; K167-S171 VanDerWaalsContact O-OG 3.06Å |
| 168 | K | 92.8 | Very high | 79.7 | Confident | 162 Ų | 162 | 102 Ų | 102 | 70% | 0.704 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.5 | -45.7 | 176.4 | -73.2 | 179.9 | 180 | -175.8 | 0 | 112.1 | A164 A165 S171 S172 | A164-K168 WeakPolarHBondContact O-CG 3.39Å; A164-K168 PolarHBondContact O-N 3.16Å; A165-K168 PolarHBondContact O-N 3.16Å; K168-S171 PolarHBondContact O-N 2.62Å; K168-S172 PolarHBondContact O-N 2.9Å; K168-S172 PolarHBondContact O-OG 3.47Å |
| 169 | L | 90.9 | Very high | 77 | Confident | 115 Ų | 115 | 103.3 Ų | 103.3 | 60% | 0.602 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.2 | -47.8 | 177.5 | -178.2 | 63.8 | 0 | 0 | 0 | 111.7 | A165 K166 K167 S171 S172 S173 | A165-L169 PolarHBondContact O-N 3Å; K166-L169 PolarHBondContact O-N 3.26Å; K167-L169 PolarHBondContact O-N 2.92Å; L169-S171 VanDerWaalsContact C-N 3.31Å; L169-S171 PolarHBondContact O-N 3.09Å; L169-S172 WeakPolarHBondContact CA-OG 3.37Å; L169-S172 PolarHBondContact O-N 2.92Å; L169-S172 VanDerWaalsContact O-N 3.14Å; L169-S172 PolarHBondContact O-OG 3.37Å; L169-S173 PolarHBondContact O-N 3.21Å; L169-S173 PolarHBondContact O-OG 3.39Å |
| 170 | M | 87.9 | Confident | 75.3 | Confident | 123 Ų | 123 | 106 Ų | 106 | 61% | 0.606 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.9 | -36.1 | 178.2 | -64.3 | -110.1 | 68.6 | 0 | 0 | 112.3 | K166 K167 S173 | K166-M170 HydrophobicContact CG-CG 4.37Å; K166-M170 WeakPolarHBondContact O-CB 3.31Å; K166-M170 WeakPolarHBondContact O-CG 3.44Å; K166-M170 PolarHBondContact O-N 2.88Å; K167-M170 PolarHBondContact O-N 2.92Å; M170-S173 PolarHBondContact O-N 3.27Å |
| 171 | S | 76.3 | Confident | 72.9 | Confident | 86 Ų | 86 | 108.9 Ų | 108.9 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71 | -29.3 | 173.9 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | K167 K168 L169 | K167-S171 WeakPolarHBondContact O-CB 3.44Å; K167-S171 PolarHBondContact O-N 3.08Å; K167-S171 PolarHBondContact O-OG 2.6Å; K167-S171 VanDerWaalsContact O-OG 3.06Å; K168-S171 PolarHBondContact O-N 2.62Å; L169-S171 VanDerWaalsContact C-N 3.31Å; L169-S171 PolarHBondContact O-N 3.09Å |
| 172 | S | 65.4 | Low | 70 | Confident | 83 Ų | 83 | 108.2 Ų | 108.2 | 58% | 0.58 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.8 | -21.4 | 174.1 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | K168 L169 G174 | K168-S172 PolarHBondContact O-N 2.9Å; K168-S172 PolarHBondContact O-OG 3.47Å; L169-S172 WeakPolarHBondContact CA-OG 3.37Å; L169-S172 PolarHBondContact O-N 2.92Å; L169-S172 VanDerWaalsContact O-N 3.14Å; L169-S172 PolarHBondContact O-OG 3.37Å; S172-G174 VanDerWaalsContact C-N 3.32Å |
| 173 | S | 60 | Low | 67.6 | Low | 84 Ų | 84 | 108.3 Ų | 108.3 | 59% | 0.587 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 9 | 176.1 | -56 | 0 | 0 | 0 | 0 | 113.6 | L169 M170 | L169-S173 PolarHBondContact O-N 3.21Å; L169-S173 PolarHBondContact O-OG 3.39Å; M170-S173 PolarHBondContact O-N 3.27Å |
| 174 | G | 53.7 | Low | 65.6 | Low | 59 Ų | 59 | 108.3 Ų | 108.3 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | trans | -103.7 | 29.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | S172 | S172-G174 VanDerWaalsContact C-N 3.32Š| ||
| 175 | T | 51.3 | Low | 63.1 | Low | 131 Ų | 131 | 111.6 Ų | 111.6 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | -116.9 | 73 | 165.1 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 176 | S | 44.3 | Very low | 61.2 | Low | 107 Ų | 107 | 117 Ų | 117 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -172.3 | 93.7 | 151.4 | 43.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 177 | D | 43 | Very low | 59 | Low | 165 Ų | 165 | 114.6 Ų | 114.6 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | 60.9 | 143.4 | 129.9 | -134.1 | -9.7 | 0 | 0 | 0 | 122 | |||||
| 178 | A | 41.6 | Very low | 56.8 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | trans | 76.5 | 90.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 179 | S | 43.3 | Very low | 54.8 | Low | 126 Ų | 126 | 114.6 Ų | 114.6 | 88% | 0.881 | 74% | 0.736 | S | S | * | * | 37.6 | 149.7 | 121.1 | -93.2 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 180 | P | 60.6 | Low | 53.1 | Low | 120 Ų | 120 | 117.5 Ų | 117.5 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -97.2 | 138.5 | -166.8 | 37.9 | -28.4 | 0 | 0 | 0 | 112.3 | ||||
| 181 | S | 48 | Very low | 51.2 | Low | 134 Ų | 134 | 117.4 Ų | 117.4 | 94% | 0.937 | 75% | 0.753 | S | S | * | * | trans | -161.5 | 130.1 | 161.4 | -163.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 182 | G | 37.9 | Very low | 50.2 | Low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 133.1 | 65.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 183 | S | 46 | Very low | 50 | Low | 115 Ų | 115 | 118.5 Ų | 118.5 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -90.1 | 143.3 | 142.2 | -156.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 184 | P | 54.6 | Low | 50.1 | Low | 113 Ų | 113 | 119.5 Ų | 119.5 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | -145.7 | 177.2 | 90.3 | 31.6 | -11.2 | 0 | 0 | 0 | 114.2 | |||||
| 185 | V | 44.3 | Very low | 50.1 | Low | 122 Ų | 122 | 126.5 Ų | 126.5 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 94.2 | 89.4 | 160.7 | -162.6 | 0 | 0 | 0 | 0 | 115.4 | A187 | V185-A187 PolarHBondContact O-N 3.42Š| ||
| 186 | L | 55.6 | Low | 49.7 | Very low | 173 Ų | 173 | 126.3 Ų | 126.3 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | 2.1 | 91.3 | 136.2 | -65 | 171.8 | 0 | 0 | 0 | 115.5 | ||||
| 187 | A | 48.2 | Very low | 50.1 | Low | 76 Ų | 76 | 131 Ų | 131 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | trans | -131.6 | 77.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | V185 Y189 | V185-A187 PolarHBondContact O-N 3.42Å; A187-Y189 HydrophobicContact CB-CD2 4.31Å; A187-Y189 PolarHBondContact O-N 3.38Å | ||
| 188 | S | 48 | Very low | 50.2 | Low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -70.6 | 62.8 | 164 | -159.1 | 0 | 0 | 0 | 0 | 108.4 | K190 | S188-K190 PolarHBondContact O-N 2.98Š| ||
| 189 | Y | 49.5 | Very low | 50.7 | Low | 209 Ų | 209 | 130.4 Ų | 130.4 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | trans | -71.9 | 88 | 157.4 | -94.5 | -93.6 | 0 | 0 | 0 | 105.4 | A187 P191 | A187-Y189 HydrophobicContact CB-CD2 4.31Å; A187-Y189 PolarHBondContact O-N 3.38Å; Y189-P191 VanDerWaalsContact O-CD 3.28Å; Y189-P191 WeakPolarHBondContact O-CD 3.45Å | ||
| 190 | K | 54.8 | Low | 50.9 | Low | 175 Ų | 175 | 133 Ų | 133 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -60.9 | 119.6 | 148.6 | -69.2 | -168.2 | 178.5 | -172.7 | 0 | 105.1 | S188 A192 | S188-K190 PolarHBondContact O-N 2.98Å; K190-A192 PolarHBondContact O-N 3.42Å | ||
| 191 | P | 48.7 | Very low | 50.3 | Low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | -66.6 | 96.7 | 164.4 | 24 | -20.7 | 0 | 0 | 0 | 105.1 | Y189 | Y189-P191 VanDerWaalsContact O-CD 3.28Å; Y189-P191 WeakPolarHBondContact O-CD 3.45Å | ||
| 192 | A | 55.5 | Low | 50.6 | Low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132.1 | 163 | 0 | 0 | 0 | 0 | 0 | 105.6 | K190 | K190-A192 PolarHBondContact O-N 3.42Š|
| 193 | P | 61.8 | Low | 51.5 | Low | 107 Ų | 107 | 139.6 Ų | 139.6 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 151.4 | -169 | 27.8 | -37.2 | 0 | 0 | 0 | 110.4 | K195 | P193-K195 PolarHBondContact O-N 2.92Š|
| 194 | P | 61.3 | Low | 52.2 | Low | 104 Ų | 104 | 144.2 Ų | 144.2 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -47 | 132 | 173.6 | -24.6 | 32.9 | 0 | 0 | 0 | 109.5 | D196 | P194-D196 PolarHBondContact O-N 2.8Š|
| 195 | K | 54.3 | Low | 52 | Low | 206 Ų | 206 | 148.9 Ų | 148.9 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | -70 | 76.4 | 165.7 | -71.4 | -122.8 | -177.2 | -179.3 | 0 | 107.1 | P193 K197 | P193-K195 PolarHBondContact O-N 2.92Å; K195-K197 PolarHBondContact O-N 3.41Å | ||
| 196 | D | 43.1 | Very low | 52.2 | Low | 127 Ų | 127 | 150 Ų | 150 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | -58.3 | 111.9 | 163.5 | -76.5 | -23.6 | 0 | 0 | 0 | 105.9 | P194 L198 | P194-D196 PolarHBondContact O-N 2.8Å; D196-L198 PolarHBondContact O-N 2.95Å | ||
| 197 | K | 51.6 | Low | 52.2 | Low | 207 Ų | 207 | 148.9 Ų | 148.9 | 90% | 0.9 | 75% | 0.753 | S | S | * | * | trans | -67.1 | 77.4 | 159 | -58.6 | -154.3 | -177.4 | -164 | 0 | 106.1 | K195 | K195-K197 PolarHBondContact O-N 3.41Š| ||
| 198 | L | 46.2 | Very low | 52.7 | Low | 136 Ų | 136 | 154.5 Ų | 154.5 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | -55.2 | 126.8 | 161.7 | -95.9 | 149.2 | 0 | 0 | 0 | 106.1 | D196 E200 | D196-L198 PolarHBondContact O-N 2.95Å; L198-E200 PolarHBondContact O-N 3.12Å | ||
| 199 | P | 51.3 | Low | 52.9 | Low | 101 Ų | 101 | 154.4 Ų | 154.4 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | -56.2 | 130 | 167.4 | 23.1 | -28.9 | 0 | 0 | 0 | 106.8 | T201 | P199-T201 PolarHBondContact O-N 2.96Š| ||
| 200 | E | 46.8 | Very low | 53.3 | Low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -50.7 | 88.4 | 173 | -172.6 | 74.5 | -153.9 | 0 | 0 | 108.5 | L198 P202 | L198-E200 PolarHBondContact O-N 3.12Å; E200-P202 VanDerWaalsContact O-CD 3.23Å; E200-P202 WeakPolarHBondContact O-CD 3.24Å | ||
| 201 | T | 47.7 | Very low | 53.4 | Low | 96 Ų | 96 | 148.6 Ų | 148.6 | 59% | 0.589 | 76% | 0.759 | S | S | * | * | trans | -74.5 | 119.2 | 174.5 | 54 | 0 | 0 | 0 | 0 | 106.6 | P199 R203 | P199-T201 PolarHBondContact O-N 2.96Å; T201-R203 VanDerWaalsContact C-N 3.34Å; T201-R203 PolarHBondContact O-N 2.88Å | ||
| 202 | P | 55.8 | Low | 53.9 | Low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | trans | -65.7 | 94.9 | 178.9 | -20.2 | 33.9 | 0 | 0 | 0 | 109.6 | E200 R204 | E200-P202 VanDerWaalsContact O-CD 3.23Å; E200-P202 WeakPolarHBondContact O-CD 3.24Å; P202-R204 VanDerWaalsContact C-N 3.26Å; P202-R204 PolarHBondContact O-N 3.2Å | ||
| 203 | R | 56.6 | Low | 54 | Low | 242 Ų | 242 | 145.9 Ų | 145.9 | 91% | 0.913 | 74% | 0.742 | S | S | * | * | trans | -75.8 | 86.9 | 175.4 | -142.2 | 174.2 | -177.9 | 145.1 | -1.2 | 108.2 | T201 | T201-R203 VanDerWaalsContact C-N 3.34Å; T201-R203 PolarHBondContact O-N 2.88Å | ||
| 204 | R | 60.7 | Low | 53.7 | Low | 213 Ų | 213 | 149.5 Ų | 149.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 59.2 | 80 | 141.9 | -157.6 | -179.9 | 176.4 | -154.8 | -0.8 | 115.9 | P202 M206 | P202-R204 VanDerWaalsContact C-N 3.26Å; P202-R204 PolarHBondContact O-N 3.2Å; R204-M206 HydrophobicContact CG-CG 4.47Å | ||
| 205 | R | 50.7 | Low | 53 | Low | 211 Ų | 211 | 148.9 Ų | 148.9 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | -111.7 | 100.8 | 134.9 | -163.4 | 178.6 | -170.8 | -159.8 | 6.3 | 107.3 | K207 | R205-K207 VanDerWaalsContact C-N 3.29Å; R205-K207 PolarHBondContact O-N 2.98Å | ||
| 206 | M | 48.4 | Very low | 53.4 | Low | 145 Ų | 145 | 144 Ų | 144 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | trans | -63.3 | 94.6 | 169.3 | -69.9 | -176.8 | 71.6 | 0 | 0 | 108.4 | R204 | R204-M206 HydrophobicContact CG-CG 4.47Š| ||
| 207 | K | 54.3 | Low | 53.8 | Low | 150 Ų | 150 | 144.6 Ų | 144.6 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | trans | -97.1 | 112.1 | 152.1 | -73.3 | -76.5 | -174.6 | 169.4 | 0 | 105.1 | R205 S209 | R205-K207 VanDerWaalsContact C-N 3.29Å; R205-K207 PolarHBondContact O-N 2.98Å; K207-S209 PolarHBondContact O-N 3.44Å; K207-S209 VanDerWaalsContact O-N 3.1Å | ||
| 208 | K | 58.9 | Low | 53.9 | Low | 193 Ų | 193 | 140.5 Ų | 140.5 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | -62.8 | 107.1 | -178.3 | -60.5 | 170.5 | 179.8 | -179.1 | 0 | 108.4 | ||||
| 209 | S | 53.8 | Low | 54.4 | Low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -136.5 | 79.9 | 159.3 | -54.9 | 0 | 0 | 0 | 0 | 107.1 | K207 S211 | K207-S209 PolarHBondContact O-N 3.44Å; K207-S209 VanDerWaalsContact O-N 3.1Å; S209-S211 PolarHBondContact O-N 2.9Å | ||
| 210 | L | 56.6 | Low | 54.6 | Low | 177 Ų | 177 | 142 Ų | 142 | 93% | 0.927 | 71% | 0.707 | S | S | * | * | trans | -85.7 | 92 | 166.2 | -71.4 | 174.8 | 0 | 0 | 0 | 107.2 | ||||
| 211 | S | 57.7 | Low | 55.2 | Low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | trans | -150 | 26.6 | 173.2 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | S209 | S209-S211 PolarHBondContact O-N 2.9Š| ||
| 212 | A | 59.8 | Low | 55.4 | Low | 89 Ų | 89 | 139.3 Ų | 139.3 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | trans | -131.3 | 113.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | P | 57.2 | Low | 55.3 | Low | 62 Ų | 62 | 141.1 Ų | 141.1 | 40% | 0.403 | 68% | 0.681 | S | S | . | * | trans | -67.7 | 138.6 | 173.9 | -20.5 | 33.8 | 0 | 0 | 0 | 112.1 | H215 F218 Y222 | P213-H215 PolarHBondContact O-N 3.45Å; P213-H215 VanDerWaalsContact O-N 3.12Å; P213-F218 HydrophobicContact CB-CB 4.33Å; P213-Y222 HydrophobicContact CG-CD2 4.11Å; P213-Y222 HydrophobicContact CG-CE2 4.45Å; P213-Y222 HydrophobicContact CG-CG 4.37Å | ||
| 214 | L | 55.8 | Low | 55 | Low | 182 Ų | 182 | 138 Ų | 138 | 95% | 0.953 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -78.8 | 21 | -178.5 | -70.7 | 171.7 | 0 | 0 | 0 | 114.1 | ||
| 215 | H | 44.8 | Very low | 54.5 | Low | 92 Ų | 92 | 129.3 Ų | 129.3 | 43% | 0.426 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -156.8 | 122.3 | -168 | -153.7 | -96.6 | 0 | 0 | 0 | 112.7 | P213 E217 F218 | P213-H215 PolarHBondContact O-N 3.45Å; P213-H215 VanDerWaalsContact O-N 3.12Å; H215-E217 VanDerWaalsContact C-N 3.27Å; H215-E217 WeakPolarHBondContact CE1-CG 3.44Å; H215-E217 IonicContact CE1-OE1 2.92Å; H215-E217 PolarHBondContact CE1-OE1 3.32Å; H215-E217 WeakPolarHBondContact ND1-CG 3.41Å; H215-E217 IonicContact ND1-OE1 2.8Å; H215-E217 IonicContact NE2-OE1 3.32Å; H215-E217 PolarHBondContact O-N 2.86Å; H215-E217 VanDerWaalsContact O-N 3.16Å; H215-F218 HydrophobicContact CB-CD2 3.8Å; H215-F218 HydrophobicContact CB-CE2 4.26Å; H215-F218 AromaticContact ND1-CD2 3.84Å; H215-F218 AromaticContact ND1-CE2 3.81Å; H215-F218 PolarHBondContact O-N 3.44Å; H215-F218 VanDerWaalsContact O-N 3.16Å |
| 216 | P | 64.6 | Low | 54.6 | Low | 102 Ų | 102 | 121.2 Ų | 121.2 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -59.7 | -29.1 | -169.5 | -23.7 | 31.5 | 0 | 0 | 0 | 115.5 | F218 E219 | P216-F218 VanDerWaalsContact C-N 3.28Å; P216-F218 PolarHBondContact O-N 2.87Å; P216-E219 WeakPolarHBondContact O-CB 3.39Å; P216-E219 PolarHBondContact O-N 3.3Å |
| 217 | E | 50.6 | Low | 54.4 | Low | 140 Ų | 140 | 119.3 Ų | 119.3 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -81.6 | -1.7 | -177.3 | 37.5 | -142.6 | 133.5 | 0 | 0 | 114.2 | H215 | H215-E217 VanDerWaalsContact C-N 3.27Å; H215-E217 WeakPolarHBondContact CE1-CG 3.44Å; H215-E217 IonicContact CE1-OE1 2.92Å; H215-E217 PolarHBondContact CE1-OE1 3.32Å; H215-E217 WeakPolarHBondContact ND1-CG 3.41Å; H215-E217 IonicContact ND1-OE1 2.8Å; H215-E217 IonicContact NE2-OE1 3.32Å; H215-E217 PolarHBondContact O-N 2.86Å; H215-E217 VanDerWaalsContact O-N 3.16Å |
| 218 | F | 53 | Low | 54 | Low | 122 Ų | 122 | 117.1 Ų | 117.1 | 54% | 0.535 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -100.3 | -2.8 | 167.3 | -66 | -90.4 | 0 | 0 | 0 | 113.1 | P213 H215 P216 E220 V221 Y222 | P213-F218 HydrophobicContact CB-CB 4.33Å; H215-F218 HydrophobicContact CB-CD2 3.8Å; H215-F218 HydrophobicContact CB-CE2 4.26Å; H215-F218 AromaticContact ND1-CD2 3.84Å; H215-F218 AromaticContact ND1-CE2 3.81Å; H215-F218 PolarHBondContact O-N 3.44Å; H215-F218 VanDerWaalsContact O-N 3.16Å; P216-F218 VanDerWaalsContact C-N 3.28Å; P216-F218 PolarHBondContact O-N 2.87Å; F218-E220 VanDerWaalsContact C-N 3.33Å; F218-E220 PolarHBondContact O-N 2.97Å; F218-V221 PolarHBondContact O-N 3.33Å; F218-Y222 PolarHBondContact O-N 3.49Å |
| 219 | E | 57.8 | Low | 53.6 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.4 | -40.8 | 176.6 | -166.4 | 98.8 | -150.4 | 0 | 0 | 111 | P216 V221 Y222 R223 | P216-E219 WeakPolarHBondContact O-CB 3.39Å; P216-E219 PolarHBondContact O-N 3.3Å; E219-V221 PolarHBondContact O-N 3.24Å; E219-Y222 PolarHBondContact O-N 3.3Å; E219-R223 WeakPolarHBondContact O-CG 3.4Å; E219-R223 PolarHBondContact O-N 3.41Å |
| 220 | E | 55.5 | Low | 53.2 | Low | 146 Ų | 146 | 118 Ų | 118 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.3 | -36.9 | -177.9 | -67.3 | -175.2 | 168.9 | 0 | 0 | 113 | F218 Y222 R223 F224 | F218-E220 VanDerWaalsContact C-N 3.33Å; F218-E220 PolarHBondContact O-N 2.97Å; E220-Y222 VanDerWaalsContact C-N 3.33Å; E220-R223 PolarHBondContact O-N 3.1Å; E220-F224 PolarHBondContact O-N 2.91Å |
| 221 | V | 58 | Low | 52.6 | Low | 106 Ų | 106 | 117.6 Ų | 117.6 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.4 | -36.3 | 175.5 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | F218 E219 G225 | F218-V221 PolarHBondContact O-N 3.33Å; E219-V221 PolarHBondContact O-N 3.24Å; V221-G225 PolarHBondContact O-N 3.47Å |
| 222 | Y | 53.2 | Low | 51.8 | Low | 115 Ų | 115 | 121.5 Ų | 121.5 | 45% | 0.451 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -77.3 | -29.6 | 178.2 | -127 | -96.4 | 0 | 0 | 0 | 113 | P213 F218 E219 E220 F224 G225 A226 | P213-Y222 HydrophobicContact CG-CD2 4.11Å; P213-Y222 HydrophobicContact CG-CE2 4.45Å; P213-Y222 HydrophobicContact CG-CG 4.37Å; F218-Y222 PolarHBondContact O-N 3.49Å; E219-Y222 PolarHBondContact O-N 3.3Å; E220-Y222 VanDerWaalsContact C-N 3.33Å; Y222-F224 VanDerWaalsContact C-N 3.35Å; Y222-G225 CarbonylContact O-C 3.5Å; Y222-G225 PolarHBondContact O-N 2.92Å; Y222-A226 WeakPolarHBondContact O-CB 3.47Å; Y222-A226 PolarHBondContact O-N 2.89Å |
| 223 | R | 53.3 | Low | 51.3 | Low | 166 Ų | 166 | 125 Ų | 125 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.8 | -36.4 | 171.9 | -73.5 | -145.7 | -74.3 | 176.9 | -4.6 | 112.2 | E219 E220 G225 A226 E227 | E219-R223 WeakPolarHBondContact O-CG 3.4Å; E219-R223 PolarHBondContact O-N 3.41Å; E220-R223 PolarHBondContact O-N 3.1Å; R223-G225 VanDerWaalsContact C-N 3.29Å; R223-G225 PolarHBondContact O-N 3.4Å; R223-A226 PolarHBondContact O-N 2.72Å; R223-E227 PolarHBondContact O-N 2.96Å; R223-E227 VanDerWaalsContact O-N 3.08Å |
| 224 | F | 50.3 | Low | 50.7 | Low | 175 Ų | 175 | 131.4 Ų | 131.4 | 77% | 0.768 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.2 | -33.2 | 172.1 | -122.5 | -88.8 | 0 | 0 | 0 | 112.7 | E220 Y222 S228 | E220-F224 PolarHBondContact O-N 2.91Å; Y222-F224 VanDerWaalsContact C-N 3.35Å; F224-S228 PolarHBondContact O-OG 2.81Å |
| 225 | G | 50.5 | Low | 50.5 | Low | 32 Ų | 32 | 130.6 Ų | 130.6 | 33% | 0.33 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -82.6 | -13.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V221 Y222 R223 R229 | V221-G225 PolarHBondContact O-N 3.47Å; Y222-G225 CarbonylContact O-C 3.5Å; Y222-G225 PolarHBondContact O-N 2.92Å; R223-G225 VanDerWaalsContact C-N 3.29Å; R223-G225 PolarHBondContact O-N 3.4Å; G225-R229 PolarHBondContact O-NE 2.93Å |
| 226 | A | 51.6 | Low | 50.9 | Low | 40 Ų | 40 | 132 Ų | 132 | 33% | 0.331 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -90.5 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y222 R223 R229 K230 | Y222-A226 WeakPolarHBondContact O-CB 3.47Å; Y222-A226 PolarHBondContact O-N 2.89Å; R223-A226 PolarHBondContact O-N 2.72Å; A226-R229 CarbonylContact O-C 3.39Å; A226-R229 WeakPolarHBondContact O-CA 3.48Å; A226-R229 PolarHBondContact O-N 3.27Å; A226-K230 PolarHBondContact O-N 3.36Å |
| 227 | E | 44.6 | Very low | 50.5 | Low | 106 Ų | 106 | 131.8 Ų | 131.8 | 50% | 0.495 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -77.6 | -23.1 | 179.9 | -111.2 | 56.1 | -169 | 0 | 0 | 112.9 | R223 R229 K230 | R223-E227 PolarHBondContact O-N 2.96Å; R223-E227 VanDerWaalsContact O-N 3.08Å; E227-R229 PolarHBondContact O-N 2.84Å; E227-K230 HydrophobicContact CG-CD 4.44Å; E227-K230 PolarHBondContact O-N 2.89Å; E227-K230 WeakPolarHBondContact OE1-CE 3.23Å; E227-K230 IonicContact OE1-NZ 3.26Å; E227-K230 PolarHBondContact OE1-NZ 2.79Å |
| 228 | S | 46.3 | Very low | 51.3 | Low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -4.9 | 165.8 | -63.4 | 0 | 0 | 0 | 0 | 113.2 | F224 | F224-S228 PolarHBondContact O-OG 2.81Š|
| 229 | R | 51.4 | Low | 52.3 | Low | 181 Ų | 181 | 130.3 Ų | 130.3 | 68% | 0.683 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 23.5 | 174.7 | -71.3 | -170.3 | -69.5 | -174.7 | -1.3 | 112.7 | G225 A226 E227 L231 | G225-R229 PolarHBondContact O-NE 2.93Å; A226-R229 CarbonylContact O-C 3.39Å; A226-R229 WeakPolarHBondContact O-CA 3.48Å; A226-R229 PolarHBondContact O-N 3.27Å; E227-R229 PolarHBondContact O-N 2.84Å; R229-L231 PolarHBondContact O-N 3.23Å |
| 230 | K | 43.8 | Very low | 53.1 | Low | 136 Ų | 136 | 132.3 Ų | 132.3 | 59% | 0.591 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -73.7 | 109.4 | 155.4 | -73.6 | -170.7 | 175.7 | 168.3 | 0 | 107.7 | A226 E227 L232 | A226-K230 PolarHBondContact O-N 3.36Å; E227-K230 HydrophobicContact CG-CD 4.44Å; E227-K230 PolarHBondContact O-N 2.89Å; E227-K230 WeakPolarHBondContact OE1-CE 3.23Å; E227-K230 IonicContact OE1-NZ 3.26Å; E227-K230 PolarHBondContact OE1-NZ 2.79Å; K230-L232 VanDerWaalsContact C-N 3.34Å; K230-L232 PolarHBondContact O-N 3.3Å |
| 231 | L | 45 | Very low | 54.2 | Low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | trans | -3.9 | 85.2 | 150.8 | -60.1 | 167.9 | 0 | 0 | 0 | 112.6 | R229 L233 | R229-L231 PolarHBondContact O-N 3.23Å; L231-L233 PolarHBondContact O-N 2.86Å | ||
| 232 | L | 41.7 | Very low | 55.1 | Low | 167 Ų | 167 | 130 Ų | 130 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | trans | -62.9 | 100.9 | 139.1 | -69.2 | -178.4 | 0 | 0 | 0 | 103 | K230 R234 | K230-L232 VanDerWaalsContact C-N 3.34Å; K230-L232 PolarHBondContact O-N 3.3Å; L232-R234 PolarHBondContact O-N 3.48Å | ||
| 233 | L | 48.6 | Very low | 56.1 | Low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 67% | 0.667 | S | S | * | * | trans | -41.4 | 101.5 | 153.4 | 177.2 | 66.7 | 0 | 0 | 0 | 104.9 | L231 E235 | L231-L233 PolarHBondContact O-N 2.86Å; L233-E235 PolarHBondContact O-N 3.07Å | ||
| 234 | R | 43.8 | Very low | 57.3 | Low | 198 Ų | 198 | 123 Ų | 123 | 75% | 0.747 | 66% | 0.655 | S | S | * | * | trans | -50 | 112.5 | 174.5 | 177.7 | 171 | 176.3 | 160.9 | -2.4 | 104.6 | L232 V237 | L232-R234 PolarHBondContact O-N 3.48Å; R234-V237 HydrophobicContact CG-CG2 4.14Å | ||
| 235 | E | 52.8 | Low | 58.7 | Low | 165 Ų | 165 | 118.4 Ų | 118.4 | 77% | 0.771 | 64% | 0.643 | S | S | * | * | trans | -44.7 | 133.6 | 168.9 | -170.1 | 164.5 | -161.7 | 0 | 0 | 106.9 | L233 V237 | L233-E235 PolarHBondContact O-N 3.07Å; E235-V237 VanDerWaalsContact C-N 3.3Å; E235-V237 PolarHBondContact O-N 2.93Å | ||
| 236 | P | 52.3 | Low | 59.5 | Low | 122 Ų | 122 | 124.4 Ų | 124.4 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | trans | -53.7 | 102.1 | -177.8 | -20.5 | 30.2 | 0 | 0 | 0 | 107.3 | D238 | P236-D238 PolarHBondContact O-N 2.88Š| ||
| 237 | V | 56.8 | Low | 60.3 | Low | 97 Ų | 97 | 128 Ų | 128 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -64.8 | 112.5 | 171 | -179.5 | 0 | 0 | 0 | 0 | 102.2 | R234 E235 A239 | R234-V237 HydrophobicContact CG-CG2 4.14Å; E235-V237 VanDerWaalsContact C-N 3.3Å; E235-V237 PolarHBondContact O-N 2.93Å; V237-A239 PolarHBondContact O-N 2.79Å | ||
| 238 | D | 67.8 | Low | 61.4 | Low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | trans | -44.5 | 120.5 | 172.7 | -163.6 | 14.1 | 0 | 0 | 0 | 106.5 | P236 M240 | P236-D238 PolarHBondContact O-N 2.88Å; D238-M240 PolarHBondContact O-N 3.21Å | ||
| 239 | A | 72.6 | Confident | 62 | Low | 82 Ų | 82 | 125.8 Ų | 125.8 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | trans | -53.9 | 121.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | V237 P241 | V237-A239 PolarHBondContact O-N 2.79Å; A239-P241 VanDerWaalsContact O-N 3.08Å | ||
| 240 | M | 75.4 | Confident | 62.3 | Low | 163 Ų | 163 | 126 Ų | 126 | 80% | 0.803 | 67% | 0.666 | S | S | * | * | trans | -45.9 | 124.9 | -178.3 | 178.7 | 172.4 | 52.4 | 0 | 0 | 107.9 | D238 D242 | D238-M240 PolarHBondContact O-N 3.21Å; M240-D242 PolarHBondContact O-N 3Å | ||
| 241 | P | 78.9 | Confident | 62.8 | Low | 104 Ų | 104 | 125.8 Ų | 125.8 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | trans | -52.6 | 132.6 | -171.2 | 17.6 | -30.4 | 0 | 0 | 0 | 109 | A239 P243 | A239-P241 VanDerWaalsContact O-N 3.08Å; P241-P243 WeakPolarHBondContact O-CD 3.17Å; P241-P243 VanDerWaalsContact O-N 3.15Å | ||
| 242 | D | 76.6 | Confident | 63.1 | Low | 99 Ų | 99 | 121.7 Ų | 121.7 | 53% | 0.529 | 65% | 0.652 | S | S | . | * | trans | -50.7 | 121.9 | -176.6 | -179.5 | 3.2 | 0 | 0 | 0 | 109.3 | M240 T244 P245 | M240-D242 PolarHBondContact O-N 3Å; D242-T244 VanDerWaalsContact CG-CB 3.5Å; D242-T244 PolarHBondContact O-N 3.32Å; D242-T244 WeakPolarHBondContact OD1-CB 3.4Å; D242-T244 PolarHBondContact OD1-N 3.47Å; D242-T244 PolarHBondContact OD1-OG1 3.29Å; D242-T244 VanDerWaalsContact OD2-CB 3.32Å; D242-T244 WeakPolarHBondContact OD2-CB 3.41Å; D242-T244 PolarHBondContact OD2-OG1 2.97Å; D242-T244 VanDerWaalsContact OD2-OG1 3.09Å; D242-P245 WeakPolarHBondContact O-CD 3.37Å; D242-P245 VanDerWaalsContact O-CG 3.28Å; D242-P245 WeakPolarHBondContact O-CG 3.44Å | ||
| 243 | P | 74.5 | Confident | 63.7 | Low | 74 Ų | 74 | 116.9 Ų | 116.9 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -72.3 | -8.8 | 178.4 | 28.9 | -34.9 | 0 | 0 | 0 | 113.2 | P241 F246 L247 | P241-P243 WeakPolarHBondContact O-CD 3.17Å; P241-P243 VanDerWaalsContact O-N 3.15Å; P243-F246 WeakPolarHBondContact O-CB 3.41Å; P243-F246 PolarHBondContact O-N 2.87Å; P243-L247 PolarHBondContact O-N 3.37Å |
| 244 | T | 78.9 | Confident | 63.6 | Low | 61 Ų | 61 | 115 Ų | 115 | 37% | 0.374 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -47.2 | -45.6 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 114.5 | D242 F246 L247 L248 | D242-T244 VanDerWaalsContact CG-CB 3.5Å; D242-T244 PolarHBondContact O-N 3.32Å; D242-T244 WeakPolarHBondContact OD1-CB 3.4Å; D242-T244 PolarHBondContact OD1-N 3.47Å; D242-T244 PolarHBondContact OD1-OG1 3.29Å; D242-T244 VanDerWaalsContact OD2-CB 3.32Å; D242-T244 WeakPolarHBondContact OD2-CB 3.41Å; D242-T244 PolarHBondContact OD2-OG1 2.97Å; D242-T244 VanDerWaalsContact OD2-OG1 3.09Å; T244-F246 VanDerWaalsContact C-N 3.27Å; T244-F246 PolarHBondContact O-N 2.94Å; T244-L247 PolarHBondContact O-N 3.47Å; T244-L247 VanDerWaalsContact O-N 3.11Å; T244-L248 HydrophobicContact CG2-CD1 3.91Å; T244-L248 HydrophobicContact CG2-CG 4.24Å; T244-L248 WeakPolarHBondContact O-CG 3.5Å; T244-L248 PolarHBondContact O-N 2.7Å; T244-L248 VanDerWaalsContact O-N 3.11Å |
| 245 | P | 78.1 | Confident | 63.9 | Low | 79 Ų | 79 | 111.3 Ų | 111.3 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -55.9 | -32.7 | 173.6 | 15.5 | -32.2 | 0 | 0 | 0 | 115.2 | D242 A249 | D242-P245 WeakPolarHBondContact O-CD 3.37Å; D242-P245 VanDerWaalsContact O-CG 3.28Å; D242-P245 WeakPolarHBondContact O-CG 3.44Å; P245-A249 PolarHBondContact O-N 3.39Å |
| 246 | F | 68.6 | Low | 63.8 | Low | 158 Ų | 158 | 110.7 Ų | 110.7 | 69% | 0.693 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.3 | -24.8 | 178.6 | -60.7 | -82.2 | 0 | 0 | 0 | 112.9 | P243 T244 | P243-F246 WeakPolarHBondContact O-CB 3.41Å; P243-F246 PolarHBondContact O-N 2.87Å; T244-F246 VanDerWaalsContact C-N 3.27Å; T244-F246 PolarHBondContact O-N 2.94Å |
| 247 | L | 67.8 | Low | 63.7 | Low | 116 Ų | 116 | 111.7 Ų | 111.7 | 61% | 0.607 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80.1 | -41.6 | 177.6 | -63 | 176.9 | 0 | 0 | 0 | 111.1 | P243 T244 A249 R250 E251 | P243-L247 PolarHBondContact O-N 3.37Å; T244-L247 PolarHBondContact O-N 3.47Å; T244-L247 VanDerWaalsContact O-N 3.11Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-A249 PolarHBondContact O-N 2.86Å; L247-R250 PolarHBondContact O-N 3.2Å; L247-R250 VanDerWaalsContact O-N 3.16Å; L247-E251 PolarHBondContact O-N 3.32Å; L247-E251 VanDerWaalsContact O-N 3.14Å |
| 248 | L | 67.3 | Low | 63.3 | Low | 99 Ų | 99 | 114.1 Ų | 114.1 | 52% | 0.518 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.7 | -31.9 | 178.6 | -64.2 | 175.6 | 0 | 0 | 0 | 113 | T244 R250 E251 S252 | T244-L248 HydrophobicContact CG2-CD1 3.91Å; T244-L248 HydrophobicContact CG2-CG 4.24Å; T244-L248 WeakPolarHBondContact O-CG 3.5Å; T244-L248 PolarHBondContact O-N 2.7Å; T244-L248 VanDerWaalsContact O-N 3.11Å; L248-R250 PolarHBondContact O-N 2.91Å; L248-E251 PolarHBondContact O-N 2.88Å; L248-S252 PolarHBondContact O-N 3.41Å; L248-S252 PolarHBondContact O-OG 3.29Å |
| 249 | A | 59.8 | Low | 62.8 | Low | 64 Ų | 64 | 116.7 Ų | 116.7 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.2 | -26 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P245 L247 S252 | P245-A249 PolarHBondContact O-N 3.39Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-A249 PolarHBondContact O-N 2.86Å; A249-S252 PolarHBondContact O-OG 3.34Å |
| 250 | R | 56.8 | Low | 61.7 | Low | 186 Ų | 186 | 121.5 Ų | 121.5 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -84.9 | -35.8 | 177.8 | -160.4 | 176.7 | 173.3 | 178 | -2.4 | 111.8 | L247 L248 S252 A253 E254 | L247-R250 PolarHBondContact O-N 3.2Å; L247-R250 VanDerWaalsContact O-N 3.16Å; L248-R250 PolarHBondContact O-N 2.91Å; R250-S252 VanDerWaalsContact C-N 3.35Å; R250-A253 PolarHBondContact O-N 3.14Å; R250-E254 PolarHBondContact O-N 3.06Å |
| 251 | E | 54 | Low | 60.8 | Low | 130 Ų | 130 | 124.5 Ų | 124.5 | 61% | 0.607 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69 | -32.7 | 178.1 | -159.1 | 165.1 | -157.3 | 0 | 0 | 112.2 | L247 L248 A253 E254 | L247-E251 PolarHBondContact O-N 3.32Å; L247-E251 VanDerWaalsContact O-N 3.14Å; L248-E251 PolarHBondContact O-N 2.88Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-E254 PolarHBondContact O-N 3.47Å |
| 252 | S | 52.9 | Low | 59.5 | Low | 82 Ų | 82 | 125.3 Ų | 125.3 | 57% | 0.573 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.5 | -18.5 | 173.6 | 40.5 | 0 | 0 | 0 | 0 | 114.1 | L248 A249 R250 | L248-S252 PolarHBondContact O-N 3.41Å; L248-S252 PolarHBondContact O-OG 3.29Å; A249-S252 PolarHBondContact O-OG 3.34Å; R250-S252 VanDerWaalsContact C-N 3.35Å |
| 253 | A | 53.3 | Low | 58.5 | Low | 65 Ų | 65 | 128.7 Ų | 128.7 | 54% | 0.537 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -86.4 | -19.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | R250 E251 | R250-A253 PolarHBondContact O-N 3.14Å; E251-A253 VanDerWaalsContact C-N 3.34Å |
| 254 | E | 47.4 | Very low | 58.1 | Low | 124 Ų | 124 | 131.6 Ų | 131.6 | 58% | 0.579 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -81.3 | -13.8 | -175 | -142 | 155.7 | -152.4 | 0 | 0 | 113.4 | R250 E251 H256 L257 | R250-E254 PolarHBondContact O-N 3.06Å; E251-E254 PolarHBondContact O-N 3.47Å; E254-H256 VanDerWaalsContact C-N 3.3Å; E254-H256 PolarHBondContact O-N 2.75Å; E254-L257 HydrophobicContact CG-CD1 4.35Å |
| 255 | V | 50.4 | Low | 57.2 | Low | 120 Ų | 120 | 135.8 Ų | 135.8 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -9.4 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 113 | ||
| 256 | H | 49.2 | Very low | 56.3 | Low | 151 Ų | 151 | 136.7 Ų | 136.7 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 36.4 | -179.2 | -69.6 | 99.2 | 0 | 0 | 0 | 114.5 | E254 I258 | E254-H256 VanDerWaalsContact C-N 3.3Å; E254-H256 PolarHBondContact O-N 2.75Å; H256-I258 PolarHBondContact O-N 2.98Å |
| 257 | L | 49.9 | Very low | 55.8 | Low | 143 Ų | 143 | 135.4 Ų | 135.4 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | -78.4 | 78.4 | 163.9 | -92 | 136.4 | 0 | 0 | 0 | 110.2 | E254 K259 | E254-L257 HydrophobicContact CG-CD1 4.35Å; L257-K259 PolarHBondContact O-N 3.2Å | ||
| 258 | I | 49.3 | Very low | 55.2 | Low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -58.3 | 120.7 | 155.7 | -64.6 | 172.9 | 0 | 0 | 0 | 106.5 | H256 E260 | H256-I258 PolarHBondContact O-N 2.98Å; I258-E260 PolarHBondContact O-N 3.04Å | ||
| 259 | K | 56.5 | Low | 54.1 | Low | 202 Ų | 202 | 137.2 Ų | 137.2 | 88% | 0.878 | 73% | 0.733 | S | S | * | * | trans | -60.2 | 89.3 | 177.5 | -176.8 | 178.3 | -180 | 177.2 | 0 | 110.5 | L257 | L257-K259 PolarHBondContact O-N 3.2Š| ||
| 260 | E | 49.4 | Very low | 53.4 | Low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -94 | 125.6 | 168.1 | -139.2 | -174.4 | -171.9 | 0 | 0 | 109.8 | I258 | I258-E260 PolarHBondContact O-N 3.04Š|
| 261 | R | 57.3 | Low | 52.7 | Low | 227 Ų | 227 | 138.7 Ų | 138.7 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 138.6 | 176 | -89.7 | -178.1 | 167.9 | 119.4 | -6.5 | 109.2 | L263 | R261-L263 PolarHBondContact O-N 3.38Š|
| 262 | P | 52.2 | Low | 52.2 | Low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -65 | 130.8 | 171.9 | 25.9 | -31.1 | 0 | 0 | 0 | 110.3 | V264 | P262-V264 PolarHBondContact O-N 2.79Š|
| 263 | L | 55.8 | Low | 51.4 | Low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 123.5 | 173.9 | -75 | 161.2 | 0 | 0 | 0 | 109.8 | R261 I265 | R261-L263 PolarHBondContact O-N 3.38Å; L263-I265 PolarHBondContact O-N 3.04Å |
| 264 | V | 65 | Low | 50.5 | Low | 136 Ų | 136 | 146.9 Ų | 146.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 117.8 | 174.4 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | P262 | P262-V264 PolarHBondContact O-N 2.79Š|
| 265 | I | 61.2 | Low | 49.8 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 125.3 | 174.3 | -57.5 | 171.8 | 0 | 0 | 0 | 108 | L263 | L263-I265 PolarHBondContact O-N 3.04Š|
| 266 | P | 57.4 | Low | 49.2 | Very low | 98 Ų | 98 | 150 Ų | 150 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 149.3 | 174.6 | 29.6 | -31.9 | 0 | 0 | 0 | 110.7 | I268 | P266-I268 PolarHBondContact O-N 3.49Š|
| 267 | P | 58.2 | Low | 48.4 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.9 | -178 | 28.3 | -32.5 | 0 | 0 | 0 | 110.9 | A269 | P267-A269 PolarHBondContact O-N 2.75Š|
| 268 | I | 55.7 | Low | 47.6 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 122 | 177 | -59.2 | 170.1 | 0 | 0 | 0 | 108.7 | P266 | P266-I268 PolarHBondContact O-N 3.49Š|
| 269 | A | 44.8 | Very low | 47.7 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69 | 127.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P267 | P267-A269 PolarHBondContact O-N 2.75Š|
| 270 | S | 45 | Very low | 46.6 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -89.7 | 107.8 | 177.2 | -146.1 | 0 | 0 | 0 | 0 | 108.9 | R272 | S270-R272 PolarHBondContact O-N 3.25Š| ||
| 271 | D | 41.5 | Very low | 46.1 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -84.4 | 107.4 | 173.3 | -117.5 | -20.7 | 0 | 0 | 0 | 109.6 | ||||
| 272 | R | 43.6 | Very low | 45 | Very low | 234 Ų | 234 | 141.6 Ų | 141.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -138.7 | 93.9 | 160 | -78.1 | -167.1 | 165.7 | -143.9 | -3.1 | 108.5 | S270 | S270-R272 PolarHBondContact O-N 3.25Š| ||
| 273 | S | 37.1 | Very low | 44.7 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 142.9 | 148.8 | 46.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 274 | S | 33.7 | Very low | 44.4 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | cis | -167 | 151.1 | 25.3 | 26 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 275 | E | 33.6 | Very low | 43.3 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 69.3 | 110.5 | 147.6 | -66.1 | -148.4 | 126.5 | 0 | 0 | 124.8 | ||||
| 276 | Q | 37.4 | Very low | 42.5 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | 86.3 | 132.7 | 122.5 | -66.1 | -166.7 | 20.9 | 0 | 0 | 123 | |||||
| 277 | H | 32.7 | Very low | 42 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 90 | 112.1 | 161.7 | -87.9 | 77.5 | 0 | 0 | 0 | 120.9 | ||||
| 278 | S | 31.7 | Very low | 41.4 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -87.7 | -171.8 | 165.8 | -37.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 279 | P | 52.2 | Low | 41.2 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -132.1 | 173.3 | -18.7 | 25.3 | -2.5 | 0 | 0 | 0 | 113.7 | ||||
| 280 | A | 33.1 | Very low | 41.1 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 131.4 | 127.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 281 | R | 39.2 | Very low | 41.4 | Very low | 218 Ų | 218 | 145.9 Ų | 145.9 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | trans | 102.5 | 105.6 | 137.9 | -150.1 | 167.8 | -175.8 | -178.7 | 1.8 | 119.7 | ||||
| 282 | E | 35.2 | Very low | 41.8 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | trans | 48.8 | 114.3 | 137.2 | -61.9 | 172.5 | 143.4 | 0 | 0 | 120.2 | ||||
| 283 | K | 45.1 | Very low | 41.7 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -81.3 | 159.6 | 149.2 | -63.4 | 178.9 | 176.9 | 174.1 | 0 | 109 | ||||
| 284 | P | 50.3 | Low | 42.4 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -135.9 | 135 | 86.5 | 26.2 | -7.5 | 0 | 0 | 0 | 115.2 | |||||
| 285 | H | 40.7 | Very low | 43 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | trans | 20.7 | 119.6 | 141.7 | -56.5 | -78.6 | 0 | 0 | 0 | 120.4 | ||||
| 286 | K | 45 | Very low | 43.5 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 92% | 0.922 | 78% | 0.776 | S | S | * | * | trans | -127 | 133.7 | 151.2 | -111.9 | 175.6 | 179.5 | 176.4 | 0 | 109.5 | ||||
| 287 | A | 46.2 | Very low | 43.7 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 288 | H | 46.8 | Very low | 44.2 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 118.2 | 174.6 | -165.8 | 65.4 | 0 | 0 | 0 | 109.4 | ||
| 289 | V | 50.5 | Low | 44.6 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123.2 | 175 | 172.6 | 0 | 0 | 0 | 0 | 108.3 | V291 | V289-V291 PolarHBondContact O-N 2.82Š|
| 290 | G | 43 | Very low | 44.6 | Very low | 73 Ų | 73 | 143.8 Ų | 143.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 291 | V | 50.5 | Low | 45.2 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | -99.7 | 106.7 | 165.9 | 176.3 | 0 | 0 | 0 | 0 | 107.2 | V289 H293 | V289-V291 PolarHBondContact O-N 2.82Å; V291-H293 PolarHBondContact O-N 2.8Å | ||
| 292 | A | 51 | Low | 45.1 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -80.9 | 112.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R294 | A292-R294 PolarHBondContact O-N 3.03Š| ||
| 293 | H | 41.5 | Very low | 45.4 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -74.8 | 111.9 | 166 | -72.7 | -82 | 0 | 0 | 0 | 109.2 | V291 | V291-H293 PolarHBondContact O-N 2.8Š| ||
| 294 | R | 50.1 | Low | 45.2 | Very low | 208 Ų | 208 | 141.3 Ų | 141.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -97.8 | 104.4 | 172.3 | 178.4 | 176.6 | -100.6 | 159.9 | -4.3 | 108.6 | A292 H296 | A292-R294 PolarHBondContact O-N 3.03Å; R294-H296 VanDerWaalsContact CD-NE2 3.29Å; R294-H296 WeakPolarHBondContact CD-NE2 3.28Å | ||
| 295 | I | 47.6 | Very low | 45.4 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -88 | 119.8 | 169 | -60 | 172.9 | 0 | 0 | 0 | 107 | ||||
| 296 | H | 43.4 | Very low | 45.4 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | -94.1 | 114.3 | 168.8 | -77.1 | -78.6 | 0 | 0 | 0 | 109.2 | R294 | R294-H296 VanDerWaalsContact CD-NE2 3.29Å; R294-H296 WeakPolarHBondContact CD-NE2 3.28Å | ||
| 297 | H | 42.1 | Very low | 46.2 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -79.1 | 120.2 | 161.3 | -66 | -80.6 | 0 | 0 | 0 | 108.3 | ||||
| 298 | A | 42.8 | Very low | 46.3 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -116.8 | 117.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 299 | T | 41.1 | Very low | 46.7 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -92.9 | 137.7 | 171.8 | -40.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 300 | P | 51.7 | Low | 46.5 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -88.7 | 144.7 | -174.6 | 33.3 | -32 | 0 | 0 | 0 | 112.3 | ||||
| 301 | P | 45.2 | Very low | 46.6 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -95.1 | 107 | 161.6 | 23.7 | -10.6 | 0 | 0 | 0 | 111.4 | ||||
| 302 | Q | 37.8 | Very low | 46.4 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | 17 | 127.2 | 129.3 | -153.3 | 169 | -16.4 | 0 | 0 | 119.2 | |||||
| 303 | A | 41.5 | Very low | 46.3 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -72.3 | 157.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 304 | Q | 39.3 | Very low | 46.9 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -126.1 | 144.7 | 150.5 | -70.2 | -142.2 | -24.9 | 0 | 0 | 110.2 | ||||
| 305 | P | 55.8 | Low | 46.7 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -95.3 | 123.1 | 179.1 | 34.4 | -25.7 | 0 | 0 | 0 | 110.3 | ||||
| 306 | E | 41.1 | Very low | 46.3 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -110.4 | 110.6 | 164.5 | -76.1 | -162.6 | -178.5 | 0 | 0 | 110.3 | ||||
| 307 | V | 60.9 | Low | 46.5 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -79.1 | 120.1 | 171.5 | -163.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 308 | K | 48.3 | Very low | 46.2 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | trans | -134.3 | 102.7 | 166.2 | -117.1 | 165.5 | -172 | 157 | 0 | 111 | ||||
| 309 | T | 55.4 | Low | 46.3 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -45.4 | 126.1 | 165.5 | -32.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 310 | L | 46.7 | Very low | 46.3 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -127.6 | 126.2 | 166.9 | -121.7 | 134.2 | 0 | 0 | 0 | 109.9 | ||||
| 311 | A | 45 | Very low | 45.8 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -61.4 | 142.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D313 | A311-D313 PolarHBondContact O-N 3.07Š| ||
| 312 | V | 45.5 | Very low | 45.9 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -79.5 | 112.2 | 174.2 | -168.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 313 | D | 49.7 | Very low | 46.2 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -76.4 | 122.5 | 166.6 | -164.8 | 20.3 | 0 | 0 | 0 | 108.8 | A311 | A311-D313 PolarHBondContact O-N 3.07Š| ||
| 314 | Q | 54 | Low | 46.6 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -81.5 | 120.8 | -179.1 | -69.3 | -179.5 | 41.3 | 0 | 0 | 108.8 | ||||
| 315 | V | 45.9 | Very low | 47 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -128.4 | 105.3 | 158.7 | -116.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 316 | N | 40.1 | Very low | 46.4 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -13.3 | 115.3 | 168.5 | -90.9 | -12.2 | 0 | 0 | 0 | 116.9 | ||||
| 317 | G | 46.8 | Very low | 46.8 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 133.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 318 | S | 36.3 | Very low | 46.1 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -154.2 | 94.8 | 156.8 | -69.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 319 | K | 43.3 | Very low | 46.3 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | 44.5 | 128 | 110.6 | -69.9 | -173.8 | 174.1 | 178.2 | 0 | 111.9 | |||||
| 320 | V | 41.3 | Very low | 46.2 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | -178 | 130.7 | 84.1 | 147 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 321 | V | 40.8 | Very low | 46.2 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | 80.3 | 96.9 | 139.7 | 172.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 322 | R | 47.8 | Very low | 46.2 | Very low | 213 Ų | 213 | 146 Ų | 146 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 37.4 | 116.5 | 104.3 | -158.8 | -173.6 | -149 | 154.9 | 4.5 | 116.3 | |||||
| 323 | K | 44.2 | Very low | 46.3 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | -162.7 | 141.8 | 129.9 | -105.7 | 164.5 | -172.5 | -173.3 | 0 | 111.7 | |||||
| 324 | H | 50.1 | Low | 46.1 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -99.8 | 138.1 | 178.7 | 40.5 | -73.7 | 0 | 0 | 0 | 107.2 | ||||
| 325 | S | 47.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 176.7 | 114.3 | 163.8 | 179.4 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 326 | G | 44.7 | Very low | 45.6 | Very low | 59 Ų | 59 | 145.9 Ų | 145.9 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | cis | 114.3 | 136.8 | 47.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 327 | T | 48 | Very low | 45.9 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 68.1 | 113.5 | 168 | 30.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 328 | D | 47.2 | Very low | 45.9 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | 70.6 | 111.3 | 74.7 | -168.6 | 28.4 | 0 | 0 | 0 | 112.8 | |||||
| 329 | R | 52.4 | Low | 46.6 | Very low | 213 Ų | 213 | 154.6 Ų | 154.6 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 163.4 | 118.5 | 136.6 | -90.9 | 171.9 | 122.1 | 87.7 | 1.6 | 112 | ||||
| 330 | T | 52.2 | Low | 46.9 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | trans | 6.2 | 126.2 | 133.2 | 48.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 331 | V | 46.8 | Very low | 47.4 | Very low | 219 Ų | 219 | 153 Ų | 153 | 100% | 1.327 | 81% | 0.813 | S | S | * | * | -152.6 | 0 | 97.9 | 175.9 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 331 of 331 residues in 43 ms
(Link to these results)