| 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 | 41.3 | Very low | 47.4 | Very low | 250 Ų | 250 | 129.8 Ų | 129.8 | 100% | 1.232 | 74% | 0.739 | S | S | * | * | 0 | 114.3 | 0 | -72 | 173.7 | 176.7 | 0 | 0 | 108.1 | |||||
| 2 | A | 37.2 | Very low | 48.6 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | trans | -133.8 | 106.7 | 162 | 0 | 0 | 0 | 0 | 0 | 105.4 | T4 | A2-T4 PolarHBondContact O-N 3.45Š| ||
| 3 | L | 43.3 | Very low | 49.8 | Very low | 178 Ų | 178 | 121 Ų | 121 | 93% | 0.932 | 68% | 0.684 | S | S | * | * | trans | -77.7 | 80.2 | 176.3 | -79.9 | 158.6 | 0 | 0 | 0 | 108 | S5 | L3-S5 PolarHBondContact O-N 3.3Š| ||
| 4 | T | 43.3 | Very low | 51.4 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 78% | 0.779 | 65% | 0.65 | S | S | * | * | trans | -70.9 | 79.7 | 161 | 52 | 0 | 0 | 0 | 0 | 107.8 | A2 P6 | A2-T4 PolarHBondContact O-N 3.45Å; T4-P6 VanDerWaalsContact O-CD 3.3Å; T4-P6 WeakPolarHBondContact O-CD 3.29Å | ||
| 5 | S | 44.4 | Very low | 53.1 | Low | 99 Ų | 99 | 110.5 Ų | 110.5 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | trans | -58.5 | 118.5 | 157.2 | -174.9 | 0 | 0 | 0 | 0 | 106.1 | L3 L7 | L3-S5 PolarHBondContact O-N 3.3Å; S5-L7 PolarHBondContact O-N 3.16Å | ||
| 6 | P | 46.8 | Very low | 54.7 | Low | 86 Ų | 86 | 106.5 Ų | 106.5 | 56% | 0.558 | 61% | 0.608 | S | S | * | * | trans | -59.7 | 136.7 | 165.8 | 27.8 | -32.4 | 0 | 0 | 0 | 107 | T4 Q8 | T4-P6 VanDerWaalsContact O-CD 3.3Å; T4-P6 WeakPolarHBondContact O-CD 3.29Å; P6-Q8 HydrophobicContact CB-CG 4.28Å; P6-Q8 HydrophobicContact CG-CG 4.19Å; P6-Q8 PolarHBondContact O-N 3.22Å | ||
| 7 | L | 48.8 | Very low | 56.2 | Low | 143 Ų | 143 | 100.2 Ų | 100.2 | 75% | 0.749 | 57% | 0.572 | S | S | * | * | trans | -73.6 | 75.8 | 169.9 | -73.8 | 164.9 | 0 | 0 | 0 | 107.9 | S5 D9 I12 | S5-L7 PolarHBondContact O-N 3.16Å; L7-D9 PolarHBondContact O-N 3.33Å; L7-I12 HydrophobicContact CB-CD1 3.75Å | ||
| 8 | Q | 49.5 | Very low | 57.4 | Low | 170 Ų | 170 | 100.9 Ų | 100.9 | 79% | 0.794 | 57% | 0.569 | S | S | * | * | trans | -77.1 | 69.5 | 166.3 | -72.6 | -177.5 | -28.8 | 0 | 0 | 108.5 | P6 | P6-Q8 HydrophobicContact CB-CG 4.28Å; P6-Q8 HydrophobicContact CG-CG 4.19Å; P6-Q8 PolarHBondContact O-N 3.22Å | ||
| 9 | D | 54.8 | Low | 58.5 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 42% | 0.417 | 57% | 0.568 | S | S | . | * | trans | -101.5 | 123.4 | 167.1 | -168.8 | -33.8 | 0 | 0 | 0 | 107.2 | L7 S11 I12 | L7-D9 PolarHBondContact O-N 3.33Å; D9-S11 PolarHBondContact O-N 2.76Å; D9-S11 VanDerWaalsContact O-N 3.08Å; D9-S11 WeakPolarHBondContact OD1-CB 3.26Å; D9-S11 PolarHBondContact OD1-N 2.91Å; D9-S11 PolarHBondContact OD1-OG 3.49Å; D9-I12 HydrophobicContact CB-CD1 3.95Å; D9-I12 HydrophobicContact CB-CG1 4.11Å; D9-I12 WeakPolarHBondContact O-CB 3.4Å; D9-I12 PolarHBondContact O-N 2.82Å | ||
| 10 | D | 54.9 | Low | 59.7 | Low | 130 Ų | 130 | 97.8 Ų | 97.8 | 70% | 0.695 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -53.5 | -30.7 | 177.5 | -67.5 | -30.8 | 0 | 0 | 0 | 111 | I12 N13 Q14 | D10-I12 VanDerWaalsContact C-N 3.27Å; D10-I12 PolarHBondContact O-N 3.15Å; D10-N13 PolarHBondContact O-N 2.88Å; D10-Q14 VanDerWaalsContact O-CB 3.23Å; D10-Q14 WeakPolarHBondContact O-CB 3.32Å; D10-Q14 PolarHBondContact O-N 3.08Å |
| 11 | S | 57.8 | Low | 60.7 | Low | 78 Ų | 78 | 93.3 Ų | 93.3 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.8 | -32.7 | 176.4 | -43.7 | 0 | 0 | 0 | 0 | 113.4 | D9 A15 | D9-S11 PolarHBondContact O-N 2.76Å; D9-S11 VanDerWaalsContact O-N 3.08Å; D9-S11 WeakPolarHBondContact OD1-CB 3.26Å; D9-S11 PolarHBondContact OD1-N 2.91Å; D9-S11 PolarHBondContact OD1-OG 3.49Å; S11-A15 VanDerWaalsContact O-CB 3.22Å; S11-A15 WeakPolarHBondContact O-CB 3.22Å; S11-A15 PolarHBondContact O-N 3.35Å |
| 12 | I | 61.2 | Low | 62.5 | Low | 88 Ų | 88 | 87.6 Ų | 87.6 | 45% | 0.451 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.9 | -34.4 | -178.1 | -65.7 | 171.1 | 0 | 0 | 0 | 110.9 | L7 D9 D10 P16 | L7-I12 HydrophobicContact CB-CD1 3.75Å; D9-I12 HydrophobicContact CB-CD1 3.95Å; D9-I12 HydrophobicContact CB-CG1 4.11Å; D9-I12 WeakPolarHBondContact O-CB 3.4Å; D9-I12 PolarHBondContact O-N 2.82Å; D10-I12 VanDerWaalsContact C-N 3.27Å; D10-I12 PolarHBondContact O-N 3.15Å; I12-P16 WeakPolarHBondContact O-CD 3.43Å |
| 13 | N | 63.7 | Low | 64.4 | Low | 57 Ų | 57 | 87.6 Ų | 87.6 | 31% | 0.305 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -92.5 | -29.2 | -175.5 | -62.5 | -43.4 | 0 | 0 | 0 | 113.2 | D10 N49 | D10-N13 PolarHBondContact O-N 2.88Å; N13-N49 WeakPolarHBondContact CB-ND2 3.28Å; N13-N49 WeakPolarHBondContact CB-OD1 3.43Å |
| 14 | Q | 73.3 | Confident | 66 | Low | 45 Ų | 45 | 80.3 Ų | 80.3 | 21% | 0.21 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -81.4 | -37.9 | 178.9 | -166.5 | 66.9 | 18.7 | 0 | 0 | 112.7 | D10 L17 E18 H50 | D10-Q14 VanDerWaalsContact O-CB 3.23Å; D10-Q14 WeakPolarHBondContact O-CB 3.32Å; D10-Q14 PolarHBondContact O-N 3.08Å; Q14-L17 WeakPolarHBondContact O-CB 3.37Å; Q14-L17 PolarHBondContact O-N 3.37Å; Q14-E18 HydrophobicContact CG-CG 4.35Å; Q14-E18 PolarHBondContact O-N 2.56Å; Q14-H50 PolarHBondContact NE2-O 3.03Å |
| 15 | A | 75.7 | Confident | 67.4 | Low | 40 Ų | 40 | 77.6 Ų | 77.6 | 33% | 0.331 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.1 | -39.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S11 L17 E18 I19 | S11-A15 VanDerWaalsContact O-CB 3.22Å; S11-A15 WeakPolarHBondContact O-CB 3.22Å; S11-A15 PolarHBondContact O-N 3.35Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-L17 PolarHBondContact O-N 3.14Å; A15-E18 PolarHBondContact O-N 3.26Å; A15-I19 VanDerWaalsContact O-CG1 3.31Å; A15-I19 WeakPolarHBondContact O-CG1 3.35Å; A15-I19 PolarHBondContact O-N 3.38Å |
| 16 | P | 79.1 | Confident | 68.8 | Low | 46 Ų | 46 | 78.5 Ų | 78.5 | 30% | 0.299 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 172.3 | -25.7 | 36 | 0 | 0 | 0 | 113.3 | I12 I19 V20 L45 | I12-P16 WeakPolarHBondContact O-CD 3.43Å; P16-I19 PolarHBondContact O-N 3.44Å; P16-V20 WeakPolarHBondContact O-CG2 3.27Å; P16-V20 PolarHBondContact O-N 3.25Å; P16-L45 HydrophobicContact CB-CD1 3.91Å |
| 17 | L | 79.8 | Confident | 69.7 | Low | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.5 | -37.5 | 176.6 | -69.9 | 173.5 | 0 | 0 | 0 | 111.7 | Q14 A15 V20 S21 I42 L45 L46 N49 P52 L55 | Q14-L17 WeakPolarHBondContact O-CB 3.37Å; Q14-L17 PolarHBondContact O-N 3.37Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-L17 PolarHBondContact O-N 3.14Å; L17-V20 PolarHBondContact O-N 3.49Å; L17-S21 VanDerWaalsContact O-CB 3.28Å; L17-S21 WeakPolarHBondContact O-CB 3.49Å; L17-S21 PolarHBondContact O-N 3.37Å; L17-I42 HydrophobicContact CD2-CB 4.43Å; L17-L45 HydrophobicContact CD1-CB 4.3Å; L17-L45 HydrophobicContact CD2-CB 3.79Å; L17-L45 HydrophobicContact CD2-CD1 4.19Å; L17-L45 HydrophobicContact CG-CB 4Å; L17-L45 HydrophobicContact CG-CD1 4.45Å; L17-L46 HydrophobicContact CD1-CD2 4.26Å; L17-L46 HydrophobicContact CD2-CD2 3.86Å; L17-L46 HydrophobicContact CD2-CG 4.46Å; L17-N49 HydrophobicContact CD1-CB 3.72Å; L17-P52 HydrophobicContact CB-CG 4.18Å; L17-L55 HydrophobicContact CD2-CD2 4.1Å |
| 18 | E | 78.3 | Confident | 70.4 | Confident | 112 Ų | 112 | 77.3 Ų | 77.3 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 175.1 | -69 | -178.8 | 177.4 | 0 | 0 | 112.4 | Q14 A15 S21 K22 | Q14-E18 HydrophobicContact CG-CG 4.35Å; Q14-E18 PolarHBondContact O-N 2.56Å; A15-E18 PolarHBondContact O-N 3.26Å; E18-S21 WeakPolarHBondContact O-CB 3.23Å; E18-S21 PolarHBondContact O-N 2.57Å; E18-K22 WeakPolarHBondContact O-CB 3.39Å; E18-K22 PolarHBondContact O-N 3.06Å |
| 19 | I | 78.9 | Confident | 71.1 | Confident | 106 Ų | 106 | 76.7 Ų | 76.7 | 54% | 0.544 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.6 | -67.9 | 163.6 | 0 | 0 | 0 | 110.4 | A15 P16 K22 L23 | A15-I19 VanDerWaalsContact O-CG1 3.31Å; A15-I19 WeakPolarHBondContact O-CG1 3.35Å; A15-I19 PolarHBondContact O-N 3.38Å; P16-I19 PolarHBondContact O-N 3.44Å; I19-K22 PolarHBondContact O-N 3.48Å; I19-L23 HydrophobicContact CG2-CD1 3.97Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.4Å |
| 20 | V | 81.6 | Confident | 71.9 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | P16 L17 K22 L23 L24 I42 | P16-V20 WeakPolarHBondContact O-CG2 3.27Å; P16-V20 PolarHBondContact O-N 3.25Å; L17-V20 PolarHBondContact O-N 3.49Å; V20-K22 VanDerWaalsContact C-N 3.29Å; V20-K22 PolarHBondContact O-N 2.95Å; V20-L23 PolarHBondContact O-N 3.12Å; V20-L24 HydrophobicContact CG1-CD1 3.77Å; V20-L24 HydrophobicContact CG1-CG 4.19Å; V20-L24 WeakPolarHBondContact O-CB 3.45Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 3.25Å; V20-I42 HydrophobicContact CG1-CG2 4.21Å; V20-I42 HydrophobicContact CG2-CG2 4.23Å |
| 21 | S | 81.5 | Confident | 72.9 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -55.1 | -45.7 | 175.5 | -162 | 0 | 0 | 0 | 0 | 111.1 | L17 E18 S25 D54 L55 | L17-S21 VanDerWaalsContact O-CB 3.28Å; L17-S21 WeakPolarHBondContact O-CB 3.49Å; L17-S21 PolarHBondContact O-N 3.37Å; E18-S21 WeakPolarHBondContact O-CB 3.23Å; E18-S21 PolarHBondContact O-N 2.57Å; S21-S25 PolarHBondContact O-N 3.19Å; S21-D54 WeakPolarHBondContact OG-CB 3.18Å; S21-D54 PolarHBondContact OG-OD2 3.42Å; S21-L55 PolarHBondContact OG-N 2.67Å |
| 22 | K | 78.9 | Confident | 73.5 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.3 | -47.7 | 177.5 | -172.7 | 175 | 176.4 | -179 | 0 | 112.3 | E18 I19 V20 L24 S25 E26 | E18-K22 WeakPolarHBondContact O-CB 3.39Å; E18-K22 PolarHBondContact O-N 3.06Å; I19-K22 PolarHBondContact O-N 3.48Å; V20-K22 VanDerWaalsContact C-N 3.29Å; V20-K22 PolarHBondContact O-N 2.95Å; K22-L24 VanDerWaalsContact C-N 3.28Å; K22-L24 PolarHBondContact O-N 3.03Å; K22-S25 WeakPolarHBondContact O-CB 3.46Å; K22-S25 PolarHBondContact O-N 3.29Å; K22-S25 VanDerWaalsContact O-N 3.08Å; K22-S25 PolarHBondContact O-OG 3.09Å; K22-E26 WeakPolarHBondContact CE-OE1 3.4Å; K22-E26 PolarHBondContact O-N 3.41Å; K22-E26 VanDerWaalsContact O-N 3.12Å |
| 23 | L | 76.9 | Confident | 74.1 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 178.5 | -71.5 | 170.8 | 0 | 0 | 0 | 112.7 | I19 V20 E26 N27 | I19-L23 HydrophobicContact CG2-CD1 3.97Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.4Å; V20-L23 PolarHBondContact O-N 3.12Å; L23-E26 PolarHBondContact O-N 2.95Å; L23-N27 WeakPolarHBondContact O-CB 3.34Å; L23-N27 PolarHBondContact O-N 2.84Å; L23-N27 PolarHBondContact O-ND2 3.09Å |
| 24 | L | 77.5 | Confident | 74.8 | Confident | 24 Ų | 24 | 74.2 Ų | 74.2 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.3 | -35 | 173.7 | -72.2 | 173.2 | 0 | 0 | 0 | 112.4 | V20 K22 E26 N27 L30 I38 L55 F58 | V20-L24 HydrophobicContact CG1-CD1 3.77Å; V20-L24 HydrophobicContact CG1-CG 4.19Å; V20-L24 WeakPolarHBondContact O-CB 3.45Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 3.25Å; K22-L24 VanDerWaalsContact C-N 3.28Å; K22-L24 PolarHBondContact O-N 3.03Å; L24-E26 VanDerWaalsContact C-N 3.25Å; L24-E26 PolarHBondContact O-N 2.83Å; L24-N27 PolarHBondContact O-N 3.33Å; L24-L30 HydrophobicContact CD2-CD1 3.64Å; L24-I38 HydrophobicContact CD1-CG2 4.42Å; L24-I38 HydrophobicContact CD2-CD1 4.18Å; L24-I38 HydrophobicContact CD2-CG2 4.4Å; L24-L55 HydrophobicContact CD1-CD1 3.59Å; L24-F58 HydrophobicContact CD1-CD1 3.89Å; L24-F58 HydrophobicContact CD1-CD2 4.49Å; L24-F58 HydrophobicContact CD1-CE1 4.09Å; L24-F58 HydrophobicContact CD1-CG 4.1Å; L24-F58 HydrophobicContact CD1-CZ 4.49Å; L24-F58 HydrophobicContact CD2-CD2 4.46Å; L24-F58 HydrophobicContact CD2-CE1 4.5Å; L24-F58 HydrophobicContact CD2-CE2 4.09Å; L24-F58 HydrophobicContact CD2-CZ 4.11Å |
| 25 | S | 72.3 | Confident | 75.1 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.4 | -27.6 | 174.5 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | S21 K22 | S21-S25 PolarHBondContact O-N 3.19Å; K22-S25 WeakPolarHBondContact O-CB 3.46Å; K22-S25 PolarHBondContact O-N 3.29Å; K22-S25 VanDerWaalsContact O-N 3.08Å; K22-S25 PolarHBondContact O-OG 3.09Å |
| 26 | E | 73 | Confident | 75.4 | Confident | 118 Ų | 118 | 72.1 Ų | 72.1 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -87.5 | -18.9 | 179.7 | -68.6 | 172.5 | -175.9 | 0 | 0 | 113.1 | K22 L23 L24 | K22-E26 WeakPolarHBondContact CE-OE1 3.4Å; K22-E26 PolarHBondContact O-N 3.41Å; K22-E26 VanDerWaalsContact O-N 3.12Å; L23-E26 PolarHBondContact O-N 2.95Å; L24-E26 VanDerWaalsContact C-N 3.25Å; L24-E26 PolarHBondContact O-N 2.83Å |
| 27 | N | 66.1 | Low | 75.5 | Confident | 91 Ų | 91 | 74.3 Ų | 74.3 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | trans | -121.4 | 91.6 | -173.8 | -69 | -79.1 | 0 | 0 | 0 | 112.8 | L23 L24 | L23-N27 WeakPolarHBondContact O-CB 3.34Å; L23-N27 PolarHBondContact O-N 2.84Å; L23-N27 PolarHBondContact O-ND2 3.09Å; L24-N27 PolarHBondContact O-N 3.33Å | ||
| 28 | T | 63 | Low | 75.7 | Confident | 113 Ų | 113 | 76.4 Ų | 76.4 | 69% | 0.693 | 40% | 0.402 | S | S | * | . | trans | -87.2 | -12.4 | -176.3 | 50.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 29 | N | 64.9 | Low | 76 | Confident | 157 Ų | 157 | 71.1 Ų | 71.1 | 84% | 0.84 | 38% | 0.377 | S | S | * | . | trans | -101.9 | 48.3 | -174.7 | -69.3 | -32.4 | 0 | 0 | 0 | 113.1 | ||||
| 30 | L | 72.3 | Confident | 76.3 | Confident | 50 Ų | 50 | 70 Ų | 70 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | trans | -88.8 | 144.2 | 175.4 | -69.1 | 168.6 | 0 | 0 | 0 | 111.2 | L24 E34 H35 I38 | L24-L30 HydrophobicContact CD2-CD1 3.64Å; L30-E34 HydrophobicContact CD2-CB 4.39Å; L30-H35 WeakPolarHBondContact CB-NE2 3.23Å; L30-I38 HydrophobicContact CD1-CD1 3.91Å; L30-I38 HydrophobicContact CD2-CD1 4.39Å | ||
| 31 | T | 75.9 | Confident | 76.4 | Confident | 78 Ų | 78 | 72 Ų | 72 | 48% | 0.479 | 40% | 0.395 | S | S | . | . | trans | -77.5 | 159.2 | 173 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | Q33 E34 H35 | T31-Q33 PolarHBondContact O-N 3.25Å; T31-E34 WeakPolarHBondContact CA-OE2 3.38Å; T31-E34 VanDerWaalsContact CB-OE2 3.25Å; T31-E34 WeakPolarHBondContact CB-OE2 3.48Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.42Å; T31-E34 PolarHBondContact N-OE2 2.68Å; T31-E34 PolarHBondContact O-N 3.21Å; T31-E34 VanDerWaalsContact O-N 3.1Å; T31-E34 WeakPolarHBondContact OG1-CG 3.26Å; T31-E34 PolarHBondContact OG1-N 3.15Å; T31-E34 PolarHBondContact OG1-OE2 3.23Å; T31-H35 PolarHBondContact O-N 2.93Å | ||
| 32 | T | 69.3 | Low | 76.6 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.4 | -23 | -178.2 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | R66 | T32-R66 VanDerWaalsContact CB-NH2 3.3Å; T32-R66 PolarHBondContact OG1-NH2 2.95Å |
| 33 | Q | 74.6 | Confident | 76.8 | Confident | 100 Ų | 100 | 67 Ų | 67 | 47% | 0.467 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -78.4 | -37.7 | 172.6 | -170.3 | 61.5 | 53.8 | 0 | 0 | 111.6 | T31 H35 E36 N37 | T31-Q33 PolarHBondContact O-N 3.25Å; Q33-H35 VanDerWaalsContact C-N 3.31Å; Q33-E36 PolarHBondContact O-N 2.83Å; Q33-N37 PolarHBondContact NE2-OD1 3.27Å; Q33-N37 VanDerWaalsContact NE2-OD1 3.14Å; Q33-N37 WeakPolarHBondContact O-CB 3.36Å; Q33-N37 PolarHBondContact O-N 3.48Å; Q33-N37 PolarHBondContact O-ND2 3.21Å; Q33-N37 PolarHBondContact O-OD1 3.37Å |
| 34 | E | 78.5 | Confident | 77.1 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 174.5 | -69.5 | 160.9 | 143.1 | 0 | 0 | 111 | L30 T31 E36 N37 I38 | L30-E34 HydrophobicContact CD2-CB 4.39Å; T31-E34 WeakPolarHBondContact CA-OE2 3.38Å; T31-E34 VanDerWaalsContact CB-OE2 3.25Å; T31-E34 WeakPolarHBondContact CB-OE2 3.48Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.42Å; T31-E34 PolarHBondContact N-OE2 2.68Å; T31-E34 PolarHBondContact O-N 3.21Å; T31-E34 VanDerWaalsContact O-N 3.1Å; T31-E34 WeakPolarHBondContact OG1-CG 3.26Å; T31-E34 PolarHBondContact OG1-N 3.15Å; T31-E34 PolarHBondContact OG1-OE2 3.23Å; E34-E36 PolarHBondContact O-N 3.24Å; E34-N37 PolarHBondContact O-N 3.08Å; E34-I38 WeakPolarHBondContact O-CB 3.43Å; E34-I38 WeakPolarHBondContact O-CD1 3.35Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 2.85Å |
| 35 | H | 78.6 | Confident | 77.2 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.056 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -53.7 | -52.6 | 171.5 | -71.3 | -179.8 | 0 | 0 | 0 | 112.3 | L30 T31 Q33 I38 I39 F58 | L30-H35 WeakPolarHBondContact CB-NE2 3.23Å; T31-H35 PolarHBondContact O-N 2.93Å; Q33-H35 VanDerWaalsContact C-N 3.31Å; H35-I38 PolarHBondContact O-N 3.49Å; H35-I39 WeakPolarHBondContact O-CD1 3.15Å; H35-I39 VanDerWaalsContact O-CG1 3.26Å; H35-I39 WeakPolarHBondContact O-CG1 3.35Å; H35-I39 PolarHBondContact O-N 3.46Å; H35-I39 VanDerWaalsContact O-N 3.1Å; H35-F58 HydrophobicContact CB-CZ 4.07Å; H35-F58 AromaticContact CD2-CE2 3.61Å; H35-F58 AromaticContact CD2-CZ 3.69Å; H35-F58 AromaticContact CG-CZ 3.9Å; H35-F58 AromaticContact NE2-CE2 3.77Å |
| 36 | E | 81.4 | Confident | 77.6 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | -179.1 | -72.2 | 178.7 | 170.2 | 0 | 0 | 111.8 | Q33 E34 I38 I39 V40 H62 R66 S69 V71 | Q33-E36 PolarHBondContact O-N 2.83Å; E34-E36 PolarHBondContact O-N 3.24Å; E36-I38 VanDerWaalsContact C-N 3.3Å; E36-I38 PolarHBondContact O-N 3.22Å; E36-I39 PolarHBondContact O-N 2.66Å; E36-V40 WeakPolarHBondContact O-CG2 3.38Å; E36-V40 PolarHBondContact O-N 2.7Å; E36-H62 VanDerWaalsContact CG-CE1 3.46Å; E36-H62 WeakPolarHBondContact CG-CE1 3.37Å; E36-H62 IonicContact OE1-CE1 3.71Å; E36-R66 WeakPolarHBondContact OE1-CD 3.32Å; E36-R66 IonicContact OE1-CZ 3.18Å; E36-R66 IonicContact OE1-NE 2.69Å; E36-R66 IonicContact OE1-NH1 2.9Å; E36-R66 PolarHBondContact OE1-NH1 3.15Å; E36-R66 IonicContact OE2-NH1 3.55Å; E36-R66 PolarHBondContact OE2-NH1 2.86Å; E36-S69 WeakPolarHBondContact OE1-CB 3.38Å; E36-S69 PolarHBondContact OE1-OG 3.37Å; E36-V71 HydrophobicContact CB-CG2 4.24Å; E36-V71 HydrophobicContact CG-CG2 4.09Å |
| 37 | N | 83.1 | Confident | 77.6 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 177.7 | -66.2 | -6.8 | 0 | 0 | 0 | 112 | Q33 E34 A41 | Q33-N37 PolarHBondContact NE2-OD1 3.27Å; Q33-N37 VanDerWaalsContact NE2-OD1 3.14Å; Q33-N37 WeakPolarHBondContact O-CB 3.36Å; Q33-N37 PolarHBondContact O-N 3.48Å; Q33-N37 PolarHBondContact O-ND2 3.21Å; Q33-N37 PolarHBondContact O-OD1 3.37Å; E34-N37 PolarHBondContact O-N 3.08Å; N37-A41 VanDerWaalsContact O-CB 3.29Å; N37-A41 WeakPolarHBondContact O-CB 3.43Å; N37-A41 PolarHBondContact O-N 3.12Å |
| 38 | I | 83.9 | Confident | 77.9 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 23% | 0.226 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 176.5 | -69.3 | 163.7 | 0 | 0 | 0 | 110.8 | L24 L30 E34 H35 E36 V40 A41 I42 | L24-I38 HydrophobicContact CD1-CG2 4.42Å; L24-I38 HydrophobicContact CD2-CD1 4.18Å; L24-I38 HydrophobicContact CD2-CG2 4.4Å; L30-I38 HydrophobicContact CD1-CD1 3.91Å; L30-I38 HydrophobicContact CD2-CD1 4.39Å; E34-I38 WeakPolarHBondContact O-CB 3.43Å; E34-I38 WeakPolarHBondContact O-CD1 3.35Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 2.85Å; H35-I38 PolarHBondContact O-N 3.49Å; E36-I38 VanDerWaalsContact C-N 3.3Å; E36-I38 PolarHBondContact O-N 3.22Å; I38-V40 PolarHBondContact O-N 3.21Å; I38-A41 PolarHBondContact O-N 3.03Å; I38-I42 WeakPolarHBondContact O-CG1 3.17Å; I38-I42 PolarHBondContact O-N 3.17Å; I38-I42 VanDerWaalsContact O-N 3.11Å |
| 39 | I | 84.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | -179.4 | -59.6 | 161.1 | 0 | 0 | 0 | 111 | H35 E36 I42 A43 F58 F59 H62 V71 V75 F76 | H35-I39 WeakPolarHBondContact O-CD1 3.15Å; H35-I39 VanDerWaalsContact O-CG1 3.26Å; H35-I39 WeakPolarHBondContact O-CG1 3.35Å; H35-I39 PolarHBondContact O-N 3.46Å; H35-I39 VanDerWaalsContact O-N 3.1Å; E36-I39 PolarHBondContact O-N 2.66Å; I39-I42 WeakPolarHBondContact O-CG1 3.4Å; I39-I42 PolarHBondContact O-N 3.04Å; I39-A43 PolarHBondContact O-N 2.74Å; I39-A43 VanDerWaalsContact O-N 3.08Å; I39-F58 HydrophobicContact CD1-CE1 4.04Å; I39-F58 HydrophobicContact CG1-CD1 4.43Å; I39-F58 HydrophobicContact CG1-CE1 3.76Å; I39-F59 HydrophobicContact CG1-CD1 4.33Å; I39-F59 HydrophobicContact CG1-CE1 4.07Å; I39-F59 HydrophobicContact CG2-CE1 4.25Å; I39-H62 HydrophobicContact CD1-CB 4.08Å; I39-V71 HydrophobicContact CB-CG1 3.94Å; I39-V71 HydrophobicContact CD1-CG1 3.99Å; I39-V71 HydrophobicContact CG2-CG1 3.38Å; I39-V75 HydrophobicContact CG2-CG1 4.06Å; I39-F76 HydrophobicContact CD1-CZ 4.1Å; I39-F76 HydrophobicContact CG2-CD1 4.46Å; I39-F76 HydrophobicContact CG2-CE1 3.61Å; I39-F76 HydrophobicContact CG2-CZ 4.11Å |
| 40 | V | 84.8 | Confident | 79 | Confident | 84 Ų | 84 | 55.8 Ų | 55.8 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 175.2 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | E36 I38 I42 A43 V71 | E36-V40 WeakPolarHBondContact O-CG2 3.38Å; E36-V40 PolarHBondContact O-N 2.7Å; I38-V40 PolarHBondContact O-N 3.21Å; V40-I42 VanDerWaalsContact C-N 3.32Å; V40-I42 PolarHBondContact O-N 3.37Å; V40-A43 WeakPolarHBondContact O-CB 3.21Å; V40-A43 PolarHBondContact O-N 2.71Å; V40-V71 HydrophobicContact CG2-CG2 4.1Å |
| 41 | A | 84 | Confident | 79.5 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 62% | 0.62 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.6 | -32.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N37 I38 | N37-A41 VanDerWaalsContact O-CB 3.29Å; N37-A41 WeakPolarHBondContact O-CB 3.43Å; N37-A41 PolarHBondContact O-N 3.12Å; I38-A41 PolarHBondContact O-N 3.03Å |
| 42 | I | 85.4 | Confident | 79.8 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.051 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -92.1 | -6.4 | 177.7 | 67.6 | -175.5 | 0 | 0 | 0 | 114.1 | L17 V20 I38 I39 V40 P44 L45 L46 L55 F59 | L17-I42 HydrophobicContact CD2-CB 4.43Å; V20-I42 HydrophobicContact CG1-CG2 4.21Å; V20-I42 HydrophobicContact CG2-CG2 4.23Å; I38-I42 WeakPolarHBondContact O-CG1 3.17Å; I38-I42 PolarHBondContact O-N 3.17Å; I38-I42 VanDerWaalsContact O-N 3.11Å; I39-I42 WeakPolarHBondContact O-CG1 3.4Å; I39-I42 PolarHBondContact O-N 3.04Å; V40-I42 VanDerWaalsContact C-N 3.32Å; V40-I42 PolarHBondContact O-N 3.37Å; I42-P44 VanDerWaalsContact C-CD 3.43Å; I42-P44 VanDerWaalsContact C-N 3.34Å; I42-L45 WeakPolarHBondContact O-CB 3.49Å; I42-L45 PolarHBondContact O-N 2.98Å; I42-L46 HydrophobicContact CD1-CD1 4.42Å; I42-L46 HydrophobicContact CG1-CD1 4.08Å; I42-L46 HydrophobicContact CG1-CG 4.43Å; I42-L46 PolarHBondContact O-N 2.94Å; I42-L55 HydrophobicContact CD1-CD1 3.79Å; I42-L55 HydrophobicContact CD1-CD2 4Å; I42-L55 HydrophobicContact CD1-CG 4.45Å; I42-F59 HydrophobicContact CD1-CE1 4.1Å; I42-F59 HydrophobicContact CD1-CZ 4Å |
| 43 | A | 83.2 | Confident | 80.3 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -50.2 | -43.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | I39 V40 L45 L46 E47 V75 | I39-A43 PolarHBondContact O-N 2.74Å; I39-A43 VanDerWaalsContact O-N 3.08Å; V40-A43 WeakPolarHBondContact O-CB 3.21Å; V40-A43 PolarHBondContact O-N 2.71Å; A43-L45 PolarHBondContact O-N 2.95Å; A43-L46 PolarHBondContact O-N 2.94Å; A43-L46 VanDerWaalsContact O-N 3.11Å; A43-E47 PolarHBondContact O-N 3.06Å; A43-V75 HydrophobicContact CB-CG1 3.59Å; A43-V75 HydrophobicContact CB-CG2 4.15Å |
| 44 | P | 82.6 | Confident | 80.6 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -20.8 | 178.1 | -21.7 | 34.8 | 0 | 0 | 0 | 114.5 | I42 | I42-P44 VanDerWaalsContact C-CD 3.43Å; I42-P44 VanDerWaalsContact C-N 3.34Å |
| 45 | L | 80.3 | Confident | 80.9 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -81.9 | -38.1 | 174.3 | -60.5 | 170.8 | 0 | 0 | 0 | 110.7 | P16 L17 I42 A43 E47 N48 N49 | P16-L45 HydrophobicContact CB-CD1 3.91Å; L17-L45 HydrophobicContact CD1-CB 4.3Å; L17-L45 HydrophobicContact CD2-CB 3.79Å; L17-L45 HydrophobicContact CD2-CD1 4.19Å; L17-L45 HydrophobicContact CG-CB 4Å; L17-L45 HydrophobicContact CG-CD1 4.45Å; I42-L45 WeakPolarHBondContact O-CB 3.49Å; I42-L45 PolarHBondContact O-N 2.98Å; A43-L45 PolarHBondContact O-N 2.95Å; L45-E47 PolarHBondContact O-N 2.82Å; L45-N48 PolarHBondContact O-N 3.25Å; L45-N49 PolarHBondContact O-N 2.73Å; L45-N49 PolarHBondContact O-ND2 3.02Å |
| 46 | L | 80.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.1 | -22.6 | 174.6 | -55.9 | 173.1 | 0 | 0 | 0 | 112.6 | L17 I42 A43 N48 P51 L55 F59 V75 V79 | L17-L46 HydrophobicContact CD1-CD2 4.26Å; L17-L46 HydrophobicContact CD2-CD2 3.86Å; L17-L46 HydrophobicContact CD2-CG 4.46Å; I42-L46 HydrophobicContact CD1-CD1 4.42Å; I42-L46 HydrophobicContact CG1-CD1 4.08Å; I42-L46 HydrophobicContact CG1-CG 4.43Å; I42-L46 PolarHBondContact O-N 2.94Å; A43-L46 PolarHBondContact O-N 2.94Å; A43-L46 VanDerWaalsContact O-N 3.11Å; L46-N48 PolarHBondContact O-N 2.98Å; L46-N48 VanDerWaalsContact O-N 3.12Å; L46-P51 HydrophobicContact CD2-CB 4.01Å; L46-L55 HydrophobicContact CD2-CD2 4.05Å; L46-F59 HydrophobicContact CD1-CE2 3.92Å; L46-F59 HydrophobicContact CD1-CZ 3.57Å; L46-F59 HydrophobicContact CD2-CE2 4.17Å; L46-F59 HydrophobicContact CD2-CZ 4.15Å; L46-V75 HydrophobicContact CD1-CG1 4.49Å; L46-V79 HydrophobicContact CB-CG2 3.6Å; L46-V79 HydrophobicContact CD1-CG2 4.29Å |
| 47 | E | 72.9 | Confident | 81.3 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -15.8 | 173.8 | -90.2 | -174.1 | -145.8 | 0 | 0 | 114.5 | A43 L45 R82 | A43-E47 PolarHBondContact O-N 3.06Å; L45-E47 PolarHBondContact O-N 2.82Å; E47-R82 PolarHBondContact O-NH1 3.09Å; E47-R82 PolarHBondContact O-NH2 2.97Å |
| 48 | N | 71.6 | Confident | 81.4 | Confident | 111 Ų | 111 | 45.7 Ų | 45.7 | 59% | 0.594 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.2 | -12.5 | 179.1 | -69 | -68 | 0 | 0 | 0 | 114.9 | L45 L46 | L45-N48 PolarHBondContact O-N 3.25Å; L46-N48 PolarHBondContact O-N 2.98Å; L46-N48 VanDerWaalsContact O-N 3.12Å |
| 49 | N | 76.4 | Confident | 81.6 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -127.1 | 161.2 | -169 | -55.9 | -85.7 | 0 | 0 | 0 | 112.2 | N13 L17 L45 | N13-N49 WeakPolarHBondContact CB-ND2 3.28Å; N13-N49 WeakPolarHBondContact CB-OD1 3.43Å; L17-N49 HydrophobicContact CD1-CB 3.72Å; L45-N49 PolarHBondContact O-N 2.73Å; L45-N49 PolarHBondContact O-ND2 3.02Å |
| 50 | H | 75.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 43.7 Ų | 43.7 | 28% | 0.282 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -86.1 | 132.9 | 173.8 | -72 | -172.6 | 0 | 0 | 0 | 110.1 | Q14 | Q14-H50 PolarHBondContact NE2-O 3.03Š|
| 51 | P | 82.2 | Confident | 81.8 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 134.7 | -179.4 | 23.3 | -30.2 | 0 | 0 | 0 | 110.9 | L46 L55 C56 F59 V79 I83 L96 | L46-P51 HydrophobicContact CD2-CB 4.01Å; P51-L55 HydrophobicContact CB-CD2 4.04Å; P51-C56 PolarHBondContact O-SG 2.82Å; P51-C56 VanDerWaalsContact O-SG 3.41Å; P51-F59 HydrophobicContact CB-CD2 4.42Å; P51-F59 HydrophobicContact CB-CE2 3.81Å; P51-F59 HydrophobicContact CG-CE2 4.31Å; P51-V79 HydrophobicContact CG-CG1 4.18Å; P51-I83 HydrophobicContact CG-CD1 4.38Å; P51-L96 HydrophobicContact CG-CD2 3.72Å |
| 52 | P | 82.7 | Confident | 82 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 162.8 | 176.2 | 23.7 | -33.2 | 0 | 0 | 0 | 112.4 | L17 D54 L55 C56 | L17-P52 HydrophobicContact CB-CG 4.18Å; P52-D54 PolarHBondContact O-N 3.33Å; P52-L55 HydrophobicContact CG-CB 3.87Å; P52-L55 HydrophobicContact CG-CD2 4.26Å; P52-L55 PolarHBondContact O-N 3.21Å; P52-C56 PolarHBondContact O-N 2.87Å; P52-C56 PolarHBondContact O-SG 3.17Å |
| 53 | P | 78.9 | Confident | 82.1 | Confident | 76 Ų | 76 | 40 Ų | 40 | 49% | 0.494 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.2 | -38.9 | -169.4 | -27.7 | 36.9 | 0 | 0 | 0 | 115.3 | C56 E57 R95 | P53-C56 WeakPolarHBondContact O-CB 3.25Å; P53-C56 PolarHBondContact O-N 3.04Å; P53-E57 PolarHBondContact O-N 2.96Å; P53-R95 WeakPolarHBondContact O-CD 3.03Å; P53-R95 PolarHBondContact O-NH1 3.31Å |
| 54 | D | 81.2 | Confident | 82.3 | Confident | 68 Ų | 68 | 46 Ų | 46 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -77.8 | -33.4 | -178.3 | -36 | -69.9 | 0 | 0 | 0 | 111.2 | S21 P52 C56 E57 F58 R95 | S21-D54 WeakPolarHBondContact OG-CB 3.18Å; S21-D54 PolarHBondContact OG-OD2 3.42Å; P52-D54 PolarHBondContact O-N 3.33Å; D54-C56 VanDerWaalsContact C-N 3.28Å; D54-C56 PolarHBondContact O-N 2.92Å; D54-E57 WeakPolarHBondContact O-CB 3.12Å; D54-E57 PolarHBondContact O-N 3.22Å; D54-E57 VanDerWaalsContact O-N 3.08Å; D54-F58 PolarHBondContact O-N 2.8Å; D54-R95 IonicContact OD1-CZ 3.72Å; D54-R95 IonicContact OD1-NH1 3.83Å; D54-R95 PolarHBondContact OD1-NH1 2.65Å; D54-R95 IonicContact OD1-NH2 3.57Å |
| 55 | L | 84.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -35 | 170.8 | -169.1 | 68.7 | 0 | 0 | 0 | 112.2 | L17 S21 L24 I42 L46 P51 P52 E57 F58 F59 | L17-L55 HydrophobicContact CD2-CD2 4.1Å; S21-L55 PolarHBondContact OG-N 2.67Å; L24-L55 HydrophobicContact CD1-CD1 3.59Å; I42-L55 HydrophobicContact CD1-CD1 3.79Å; I42-L55 HydrophobicContact CD1-CD2 4Å; I42-L55 HydrophobicContact CD1-CG 4.45Å; L46-L55 HydrophobicContact CD2-CD2 4.05Å; P51-L55 HydrophobicContact CB-CD2 4.04Å; P52-L55 HydrophobicContact CG-CB 3.87Å; P52-L55 HydrophobicContact CG-CD2 4.26Å; P52-L55 PolarHBondContact O-N 3.21Å; L55-E57 VanDerWaalsContact C-N 3.31Å; L55-E57 PolarHBondContact O-N 3.15Å; L55-F58 HydrophobicContact CD1-CD1 4.27Å; L55-F58 WeakPolarHBondContact O-CB 3.44Å; L55-F58 PolarHBondContact O-N 2.8Å; L55-F59 HydrophobicContact CD1-CD1 4.44Å; L55-F59 HydrophobicContact CD1-CE1 3.67Å; L55-F59 HydrophobicContact CD1-CZ 3.83Å; L55-F59 HydrophobicContact CD2-CE1 4.29Å; L55-F59 HydrophobicContact CD2-CE2 4.05Å; L55-F59 HydrophobicContact CD2-CZ 3.57Å; L55-F59 HydrophobicContact CG-CD1 4.4Å; L55-F59 HydrophobicContact CG-CE1 3.71Å; L55-F59 HydrophobicContact CG-CE2 3.89Å; L55-F59 HydrophobicContact CG-CZ 3.41Å; L55-F59 VanDerWaalsContact CG-CZ 3.41Å; L55-F59 WeakPolarHBondContact O-CD1 3.34Å; L55-F59 VanDerWaalsContact O-CG 3.22Å; L55-F59 WeakPolarHBondContact O-CG 3.44Å; L55-F59 PolarHBondContact O-N 3.48Å |
| 56 | C | 85.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 171.1 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | P51 P52 P53 D54 F59 C60 R95 L96 F99 | P51-C56 PolarHBondContact O-SG 2.82Å; P51-C56 VanDerWaalsContact O-SG 3.41Å; P52-C56 PolarHBondContact O-N 2.87Å; P52-C56 PolarHBondContact O-SG 3.17Å; P53-C56 WeakPolarHBondContact O-CB 3.25Å; P53-C56 PolarHBondContact O-N 3.04Å; D54-C56 VanDerWaalsContact C-N 3.28Å; D54-C56 PolarHBondContact O-N 2.92Å; C56-F59 PolarHBondContact O-N 3.2Å; C56-C60 PolarHBondContact O-N 3.43Å; C56-C60 PolarHBondContact O-SG 3.1Å; C56-R95 HydrophobicContact CB-CB 3.99Å; C56-L96 VanDerWaalsContact SG-CD2 3.54Å; C56-F99 HydrophobicContact CB-CB 4.18Å |
| 57 | E | 83.9 | Confident | 83 | Confident | 112 Ų | 112 | 49 Ų | 49 | 52% | 0.523 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.5 | -38.2 | 178.7 | -173.6 | 165.6 | -179.5 | 0 | 0 | 111.8 | P53 D54 L55 C60 K61 R95 | P53-E57 PolarHBondContact O-N 2.96Å; D54-E57 WeakPolarHBondContact O-CB 3.12Å; D54-E57 PolarHBondContact O-N 3.22Å; D54-E57 VanDerWaalsContact O-N 3.08Å; L55-E57 VanDerWaalsContact C-N 3.31Å; L55-E57 PolarHBondContact O-N 3.15Å; E57-C60 WeakPolarHBondContact O-CB 3.48Å; E57-C60 PolarHBondContact O-N 3.16Å; E57-K61 PolarHBondContact O-N 2.99Å; E57-R95 IonicContact OE2-CZ 3.81Å; E57-R95 IonicContact OE2-NE 3.93Å; E57-R95 IonicContact OE2-NH1 3.79Å; E57-R95 IonicContact OE2-NH2 2.81Å |
| 58 | F | 84.3 | Confident | 83.6 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 169.9 | -176.9 | -107.3 | 0 | 0 | 0 | 112.3 | L24 H35 I39 D54 L55 K61 H62 | L24-F58 HydrophobicContact CD1-CD1 3.89Å; L24-F58 HydrophobicContact CD1-CD2 4.49Å; L24-F58 HydrophobicContact CD1-CE1 4.09Å; L24-F58 HydrophobicContact CD1-CG 4.1Å; L24-F58 HydrophobicContact CD1-CZ 4.49Å; L24-F58 HydrophobicContact CD2-CD2 4.46Å; L24-F58 HydrophobicContact CD2-CE1 4.5Å; L24-F58 HydrophobicContact CD2-CE2 4.09Å; L24-F58 HydrophobicContact CD2-CZ 4.11Å; H35-F58 HydrophobicContact CB-CZ 4.07Å; H35-F58 AromaticContact CD2-CE2 3.61Å; H35-F58 AromaticContact CD2-CZ 3.69Å; H35-F58 AromaticContact CG-CZ 3.9Å; H35-F58 AromaticContact NE2-CE2 3.77Å; I39-F58 HydrophobicContact CD1-CE1 4.04Å; I39-F58 HydrophobicContact CG1-CD1 4.43Å; I39-F58 HydrophobicContact CG1-CE1 3.76Å; D54-F58 PolarHBondContact O-N 2.8Å; L55-F58 HydrophobicContact CD1-CD1 4.27Å; L55-F58 WeakPolarHBondContact O-CB 3.44Å; L55-F58 PolarHBondContact O-N 2.8Å; F58-K61 WeakPolarHBondContact O-CB 3.42Å; F58-K61 PolarHBondContact O-N 2.68Å; F58-H62 PolarHBondContact O-N 3.46Å; F58-H62 VanDerWaalsContact O-N 3.12Å |
| 59 | F | 88.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 175.4 | -61.5 | -16.1 | 0 | 0 | 0 | 112.9 | I39 I42 L46 P51 L55 C56 K61 H62 C63 F76 F99 | I39-F59 HydrophobicContact CG1-CD1 4.33Å; I39-F59 HydrophobicContact CG1-CE1 4.07Å; I39-F59 HydrophobicContact CG2-CE1 4.25Å; I42-F59 HydrophobicContact CD1-CE1 4.1Å; I42-F59 HydrophobicContact CD1-CZ 4Å; L46-F59 HydrophobicContact CD1-CE2 3.92Å; L46-F59 HydrophobicContact CD1-CZ 3.57Å; L46-F59 HydrophobicContact CD2-CE2 4.17Å; L46-F59 HydrophobicContact CD2-CZ 4.15Å; P51-F59 HydrophobicContact CB-CD2 4.42Å; P51-F59 HydrophobicContact CB-CE2 3.81Å; P51-F59 HydrophobicContact CG-CE2 4.31Å; L55-F59 HydrophobicContact CD1-CD1 4.44Å; L55-F59 HydrophobicContact CD1-CE1 3.67Å; L55-F59 HydrophobicContact CD1-CZ 3.83Å; L55-F59 HydrophobicContact CD2-CE1 4.29Å; L55-F59 HydrophobicContact CD2-CE2 4.05Å; L55-F59 HydrophobicContact CD2-CZ 3.57Å; L55-F59 HydrophobicContact CG-CD1 4.4Å; L55-F59 HydrophobicContact CG-CE1 3.71Å; L55-F59 HydrophobicContact CG-CE2 3.89Å; L55-F59 HydrophobicContact CG-CZ 3.41Å; L55-F59 VanDerWaalsContact CG-CZ 3.41Å; L55-F59 WeakPolarHBondContact O-CD1 3.34Å; L55-F59 VanDerWaalsContact O-CG 3.22Å; L55-F59 WeakPolarHBondContact O-CG 3.44Å; L55-F59 PolarHBondContact O-N 3.48Å; C56-F59 PolarHBondContact O-N 3.2Å; F59-K61 VanDerWaalsContact C-N 3.28Å; F59-K61 PolarHBondContact O-N 2.77Å; F59-H62 PolarHBondContact O-N 2.94Å; F59-H62 VanDerWaalsContact O-N 3.14Å; F59-C63 PolarHBondContact O-N 2.86Å; F59-C63 PolarHBondContact O-SG 2.95Å; F59-C63 VanDerWaalsContact O-SG 3.42Å; F59-F76 HydrophobicContact CB-CE1 4.11Å; F59-F76 HydrophobicContact CB-CE2 4.19Å; F59-F76 HydrophobicContact CB-CZ 3.65Å; F59-F76 AromaticContact CD1-CE1 3.66Å; F59-F76 HydrophobicContact CD1-CE1 3.66Å; F59-F76 AromaticContact CD1-CZ 3.61Å; F59-F76 HydrophobicContact CD1-CZ 3.61Å; F59-F76 AromaticContact CD2-CE1 3.88Å; F59-F76 HydrophobicContact CD2-CE1 3.88Å; F59-F76 HydrophobicContact CD2-CZ 4.29Å; F59-F76 AromaticContact CE1-CE1 3.97Å; F59-F76 HydrophobicContact CE1-CE1 3.97Å; F59-F76 HydrophobicContact CE1-CZ 4.33Å; F59-F76 HydrophobicContact CE2-CE1 4.16Å; F59-F76 AromaticContact CG-CE1 3.62Å; F59-F76 HydrophobicContact CG-CE1 3.62Å; F59-F76 AromaticContact CG-CZ 3.6Å; F59-F76 HydrophobicContact CG-CZ 3.6Å; F59-F76 HydrophobicContact CZ-CE1 4.21Å; F59-F99 HydrophobicContact CB-CD2 3.48Å; F59-F99 VanDerWaalsContact CB-CD2 3.48Å; F59-F99 HydrophobicContact CB-CE2 3.43Å; F59-F99 VanDerWaalsContact CB-CE2 3.43Å; F59-F99 HydrophobicContact CB-CG 4.28Å; F59-F99 HydrophobicContact CB-CZ 4.15Å; F59-F99 HydrophobicContact CD2-CD1 4.42Å; F59-F99 HydrophobicContact CD2-CD2 4.34Å; F59-F99 HydrophobicContact CD2-CE1 4.06Å; F59-F99 AromaticContact CD2-CE2 4Å; F59-F99 HydrophobicContact CD2-CE2 4Å; F59-F99 AromaticContact CD2-CZ 3.84Å; F59-F99 HydrophobicContact CD2-CZ 3.84Å; F59-F99 HydrophobicContact CG-CD2 4.44Å; F59-F99 HydrophobicContact CG-CE2 4.14Å; F59-F99 HydrophobicContact CG-CZ 4.4Å |
| 60 | C | 87.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.4 | -45.4 | 171.9 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | C56 E57 C63 R64 F99 E102 | C56-C60 PolarHBondContact O-N 3.43Å; C56-C60 PolarHBondContact O-SG 3.1Å; E57-C60 WeakPolarHBondContact O-CB 3.48Å; E57-C60 PolarHBondContact O-N 3.16Å; C60-C63 PolarHBondContact O-N 2.92Å; C60-R64 WeakPolarHBondContact O-CG 3.38Å; C60-R64 PolarHBondContact O-N 3.22Å; C60-F99 WeakPolarHBondContact SG-CA 3.46Å; C60-E102 HydrophobicContact CB-CB 4.43Å; C60-E102 HydrophobicContact CB-CG 3.94Å |
| 61 | K | 86.2 | Confident | 85.3 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 38% | 0.378 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 176.5 | -175.9 | 179.4 | 175.5 | -177 | 0 | 111.1 | E57 F58 F59 R64 E65 | E57-K61 PolarHBondContact O-N 2.99Å; F58-K61 WeakPolarHBondContact O-CB 3.42Å; F58-K61 PolarHBondContact O-N 2.68Å; F59-K61 VanDerWaalsContact C-N 3.28Å; F59-K61 PolarHBondContact O-N 2.77Å; K61-R64 PolarHBondContact O-N 3.01Å; K61-E65 WeakPolarHBondContact CE-OE1 3.5Å; K61-E65 HydrophobicContact CG-CG 4.38Å; K61-E65 WeakPolarHBondContact CG-OE1 3.34Å; K61-E65 IonicContact NZ-OE1 3.18Å; K61-E65 WeakPolarHBondContact O-CB 3.4Å; K61-E65 WeakPolarHBondContact O-CG 3.37Å; K61-E65 PolarHBondContact O-N 3.38Å |
| 62 | H | 87.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.6 | -170.5 | 77 | 0 | 0 | 0 | 112.9 | E36 I39 F58 F59 R64 E65 R66 F76 | E36-H62 VanDerWaalsContact CG-CE1 3.46Å; E36-H62 WeakPolarHBondContact CG-CE1 3.37Å; E36-H62 IonicContact OE1-CE1 3.71Å; I39-H62 HydrophobicContact CD1-CB 4.08Å; F58-H62 PolarHBondContact O-N 3.46Å; F58-H62 VanDerWaalsContact O-N 3.12Å; F59-H62 PolarHBondContact O-N 2.94Å; F59-H62 VanDerWaalsContact O-N 3.14Å; H62-R64 VanDerWaalsContact C-N 3.31Å; H62-R64 PolarHBondContact O-N 2.99Å; H62-E65 PolarHBondContact O-N 3.3Å; H62-R66 PolarHBondContact O-N 2.86Å; H62-F76 HydrophobicContact CB-CE2 4.48Å; H62-F76 AromaticContact CD2-CE2 3.91Å |
| 63 | C | 88.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -41 | 176.7 | -71.3 | 0 | 0 | 0 | 0 | 112.6 | F59 C60 P67 E102 A106 | F59-C63 PolarHBondContact O-N 2.86Å; F59-C63 PolarHBondContact O-SG 2.95Å; F59-C63 VanDerWaalsContact O-SG 3.42Å; C60-C63 PolarHBondContact O-N 2.92Å; C63-P67 WeakPolarHBondContact O-CA 3.34Å; C63-P67 WeakPolarHBondContact O-CB 3.46Å; C63-P67 WeakPolarHBondContact O-CD 3.39Å; C63-E102 HydrophobicContact CB-CB 3.94Å; C63-A106 HydrophobicContact CB-CB 4.05Å |
| 64 | R | 87.1 | Confident | 86.1 | Confident | 142 Ų | 142 | 54.4 Ų | 54.4 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -73.4 | -39.6 | 178.4 | -65.6 | 175 | -168.3 | 141.1 | -0.6 | 113.4 | C60 K61 H62 E102 | C60-R64 WeakPolarHBondContact O-CG 3.38Å; C60-R64 PolarHBondContact O-N 3.22Å; K61-R64 PolarHBondContact O-N 3.01Å; H62-R64 VanDerWaalsContact C-N 3.31Å; H62-R64 PolarHBondContact O-N 2.99Å; R64-E102 WeakPolarHBondContact CG-OE2 3.4Å; R64-E102 IonicContact CZ-OE1 2.7Å; R64-E102 IonicContact CZ-OE2 2.67Å; R64-E102 IonicContact NE-OE1 2.7Å; R64-E102 PolarHBondContact NE-OE1 3.05Å; R64-E102 IonicContact NE-OE2 2.76Å; R64-E102 PolarHBondContact NE-OE2 3.12Å; R64-E102 IonicContact NH2-OE1 3.68Å; R64-E102 PolarHBondContact NH2-OE1 3.07Å; R64-E102 IonicContact NH2-OE2 3.18Å |
| 65 | E | 86.4 | Confident | 86.4 | Confident | 98 Ų | 98 | 52.2 Ų | 52.2 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -79.1 | -33.4 | -177 | -71.5 | 177.8 | 175 | 0 | 0 | 112.8 | K61 H62 | K61-E65 WeakPolarHBondContact CE-OE1 3.5Å; K61-E65 HydrophobicContact CG-CG 4.38Å; K61-E65 WeakPolarHBondContact CG-OE1 3.34Å; K61-E65 IonicContact NZ-OE1 3.18Å; K61-E65 WeakPolarHBondContact O-CB 3.4Å; K61-E65 WeakPolarHBondContact O-CG 3.37Å; K61-E65 PolarHBondContact O-N 3.38Å; H62-E65 PolarHBondContact O-N 3.3Å |
| 66 | R | 85.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 52.2 Ų | 52.2 | 30% | 0.302 | 23% | 0.234 | S | C | . | . | trans | -141.4 | 63.6 | -175.4 | -66.3 | -169.8 | 170.4 | -168.7 | -1 | 112.8 | T32 E36 H62 R68 S69 | T32-R66 VanDerWaalsContact CB-NH2 3.3Å; T32-R66 PolarHBondContact OG1-NH2 2.95Å; E36-R66 WeakPolarHBondContact OE1-CD 3.32Å; E36-R66 IonicContact OE1-CZ 3.18Å; E36-R66 IonicContact OE1-NE 2.69Å; E36-R66 IonicContact OE1-NH1 2.9Å; E36-R66 PolarHBondContact OE1-NH1 3.15Å; E36-R66 IonicContact OE2-NH1 3.55Å; E36-R66 PolarHBondContact OE2-NH1 2.86Å; H62-R66 PolarHBondContact O-N 2.86Å; R66-R68 PolarHBondContact O-N 2.99Å; R66-S69 WeakPolarHBondContact O-CB 3.39Å; R66-S69 PolarHBondContact O-N 3.47Å | ||
| 67 | P | 85.6 | Confident | 87 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.7 | -179.7 | 24.6 | -35.2 | 0 | 0 | 0 | 113.8 | C63 A106 E109 L110 | C63-P67 WeakPolarHBondContact O-CA 3.34Å; C63-P67 WeakPolarHBondContact O-CB 3.46Å; C63-P67 WeakPolarHBondContact O-CD 3.39Å; P67-A106 HydrophobicContact CB-CB 3.68Å; P67-E109 HydrophobicContact CB-CB 4.06Å; P67-E109 HydrophobicContact CG-CB 4.2Å; P67-E109 WeakPolarHBondContact CG-OE2 3.43Å; P67-L110 WeakPolarHBondContact O-CD2 3.45Å |
| 68 | R | 86.7 | Confident | 87.2 | Confident | 158 Ų | 158 | 50.7 Ų | 50.7 | 60% | 0.596 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 8.6 | 179.6 | -62.6 | 177.1 | -176.8 | 155.5 | 4.3 | 114.4 | R66 E109 L110 | R66-R68 PolarHBondContact O-N 2.99Å; R68-E109 PolarHBondContact NE-O 2.78Å; R68-E109 PolarHBondContact NH2-O 2.61Å; R68-L110 HydrophobicContact CB-CD2 4.34Å; R68-L110 HydrophobicContact CG-CD2 3.98Å |
| 69 | S | 87.9 | Confident | 87.5 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -71 | 146.9 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | E36 R66 V71 V72 | E36-S69 WeakPolarHBondContact OE1-CB 3.38Å; E36-S69 PolarHBondContact OE1-OG 3.37Å; R66-S69 WeakPolarHBondContact O-CB 3.39Å; R66-S69 PolarHBondContact O-N 3.47Å; S69-V71 PolarHBondContact O-N 3.05Å; S69-V72 WeakPolarHBondContact O-CB 3.26Å; S69-V72 PolarHBondContact O-N 2.64Å |
| 70 | M | 85.5 | Confident | 87.6 | Confident | 117 Ų | 117 | 49.6 Ų | 49.6 | 58% | 0.576 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -60.5 | -26.6 | 173.3 | -66.2 | -62.1 | 153.2 | 0 | 0 | 111.7 | V72 I73 E74 | M70-V72 VanDerWaalsContact C-N 3.29Å; M70-V72 PolarHBondContact O-N 3.41Å; M70-I73 PolarHBondContact O-N 2.78Å; M70-I73 VanDerWaalsContact O-N 3.17Å; M70-E74 WeakPolarHBondContact O-CB 3.21Å; M70-E74 PolarHBondContact O-N 3.5Å |
| 71 | V | 86.2 | Confident | 87.7 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -57.1 | -40.8 | 172.8 | 175.3 | 0 | 0 | 0 | 0 | 112 | E36 I39 V40 S69 V75 F76 | E36-V71 HydrophobicContact CB-CG2 4.24Å; E36-V71 HydrophobicContact CG-CG2 4.09Å; I39-V71 HydrophobicContact CB-CG1 3.94Å; I39-V71 HydrophobicContact CD1-CG1 3.99Å; I39-V71 HydrophobicContact CG2-CG1 3.38Å; V40-V71 HydrophobicContact CG2-CG2 4.1Å; S69-V71 PolarHBondContact O-N 3.05Å; V71-V75 HydrophobicContact CG1-CB 4.31Å; V71-V75 WeakPolarHBondContact O-CA 3.36Å; V71-V75 WeakPolarHBondContact O-CB 3.28Å; V71-V75 PolarHBondContact O-N 3.07Å; V71-F76 HydrophobicContact CG1-CD1 4.46Å; V71-F76 HydrophobicContact CG1-CE1 4.11Å; V71-F76 HydrophobicContact CG1-CE2 4.27Å; V71-F76 HydrophobicContact CG1-CZ 4Å; V71-F76 PolarHBondContact O-N 3.41Å |
| 72 | V | 86.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -65.6 | -46.7 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 110 | S69 M70 F76 T77 Y103 A106 L107 | S69-V72 WeakPolarHBondContact O-CB 3.26Å; S69-V72 PolarHBondContact O-N 2.64Å; M70-V72 VanDerWaalsContact C-N 3.29Å; M70-V72 PolarHBondContact O-N 3.41Å; V72-F76 HydrophobicContact CG2-CD2 4.23Å; V72-T77 PolarHBondContact O-OG1 3.03Å; V72-Y103 HydrophobicContact CG1-CD2 4.03Å; V72-Y103 HydrophobicContact CG1-CE2 4.08Å; V72-Y103 WeakPolarHBondContact O-CE2 3.49Å; V72-A106 HydrophobicContact CG1-CB 4.03Å; V72-L107 HydrophobicContact CG1-CD2 4.45Å |
| 73 | I | 86.2 | Confident | 87.9 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -74.4 | -42.3 | -172.6 | -58.1 | 175.8 | 0 | 0 | 0 | 112.2 | M70 T77 L110 | M70-I73 PolarHBondContact O-N 2.78Å; M70-I73 VanDerWaalsContact O-N 3.17Å; I73-T77 VanDerWaalsContact O-CB 3.3Å; I73-T77 WeakPolarHBondContact O-CB 3.45Å; I73-T77 PolarHBondContact O-OG1 3.16Å; I73-L110 HydrophobicContact CD1-CD1 4.18Å; I73-L110 HydrophobicContact CD1-CD2 4.15Å; I73-L110 HydrophobicContact CG1-CD1 4.14Å |
| 74 | E | 86.8 | Confident | 87.9 | Confident | 136 Ų | 136 | 50.3 Ų | 50.3 | 64% | 0.636 | 23% | 0.231 | S | C | * | . | I | π-helix | trans | -99 | -43.1 | -171.5 | -59.5 | -172.8 | 152.6 | 0 | 0 | 112.9 | M70 P78 | M70-E74 WeakPolarHBondContact O-CB 3.21Å; M70-E74 PolarHBondContact O-N 3.5Å; E74-P78 WeakPolarHBondContact O-CD 3.43Å |
| 75 | V | 87.5 | Confident | 88 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 13% | 0.127 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -89 | -46.7 | -174.1 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | I39 A43 L46 V71 P78 V79 | I39-V75 HydrophobicContact CG2-CG1 4.06Å; A43-V75 HydrophobicContact CB-CG1 3.59Å; A43-V75 HydrophobicContact CB-CG2 4.15Å; L46-V75 HydrophobicContact CD1-CG1 4.49Å; V71-V75 HydrophobicContact CG1-CB 4.31Å; V71-V75 WeakPolarHBondContact O-CA 3.36Å; V71-V75 WeakPolarHBondContact O-CB 3.28Å; V71-V75 PolarHBondContact O-N 3.07Å; V75-P78 WeakPolarHBondContact O-CD 3.36Å; V75-P78 WeakPolarHBondContact O-CG 3.44Å; V75-V79 WeakPolarHBondContact O-CG2 3.41Å |
| 76 | F | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -75.5 | -29.3 | -176.5 | -67.4 | -18.4 | 0 | 0 | 0 | 113.6 | I39 F59 H62 V71 V72 V79 V80 F99 Y103 | I39-F76 HydrophobicContact CD1-CZ 4.1Å; I39-F76 HydrophobicContact CG2-CD1 4.46Å; I39-F76 HydrophobicContact CG2-CE1 3.61Å; I39-F76 HydrophobicContact CG2-CZ 4.11Å; F59-F76 HydrophobicContact CB-CE1 4.11Å; F59-F76 HydrophobicContact CB-CE2 4.19Å; F59-F76 HydrophobicContact CB-CZ 3.65Å; F59-F76 AromaticContact CD1-CE1 3.66Å; F59-F76 HydrophobicContact CD1-CE1 3.66Å; F59-F76 AromaticContact CD1-CZ 3.61Å; F59-F76 HydrophobicContact CD1-CZ 3.61Å; F59-F76 AromaticContact CD2-CE1 3.88Å; F59-F76 HydrophobicContact CD2-CE1 3.88Å; F59-F76 HydrophobicContact CD2-CZ 4.29Å; F59-F76 AromaticContact CE1-CE1 3.97Å; F59-F76 HydrophobicContact CE1-CE1 3.97Å; F59-F76 HydrophobicContact CE1-CZ 4.33Å; F59-F76 HydrophobicContact CE2-CE1 4.16Å; F59-F76 AromaticContact CG-CE1 3.62Å; F59-F76 HydrophobicContact CG-CE1 3.62Å; F59-F76 AromaticContact CG-CZ 3.6Å; F59-F76 HydrophobicContact CG-CZ 3.6Å; F59-F76 HydrophobicContact CZ-CE1 4.21Å; H62-F76 HydrophobicContact CB-CE2 4.48Å; H62-F76 AromaticContact CD2-CE2 3.91Å; V71-F76 HydrophobicContact CG1-CD1 4.46Å; V71-F76 HydrophobicContact CG1-CE1 4.11Å; V71-F76 HydrophobicContact CG1-CE2 4.27Å; V71-F76 HydrophobicContact CG1-CZ 4Å; V71-F76 PolarHBondContact O-N 3.41Å; V72-F76 HydrophobicContact CG2-CD2 4.23Å; F76-V79 PolarHBondContact O-N 2.96Å; F76-V79 VanDerWaalsContact O-N 3.17Å; F76-V80 WeakPolarHBondContact O-CG2 3.43Å; F76-V80 PolarHBondContact O-N 3.45Å; F76-F99 HydrophobicContact CB-CZ 4.04Å; F76-F99 HydrophobicContact CD1-CE2 4.31Å; F76-F99 AromaticContact CD1-CZ 3.88Å; F76-F99 HydrophobicContact CD1-CZ 3.88Å; F76-F99 AromaticContact CD2-CE2 3.9Å; F76-F99 HydrophobicContact CD2-CE2 3.9Å; F76-F99 HydrophobicContact CD2-CZ 4.15Å; F76-F99 HydrophobicContact CE1-CE2 4.46Å; F76-F99 HydrophobicContact CE1-CZ 4.32Å; F76-F99 HydrophobicContact CE2-CE2 4.08Å; F76-F99 HydrophobicContact CG-CE2 4.03Å; F76-F99 AromaticContact CG-CZ 3.79Å; F76-F99 HydrophobicContact CG-CZ 3.79Å; F76-F99 HydrophobicContact CZ-CE2 4.35Å; F76-Y103 HydrophobicContact CB-CD2 3.63Å; F76-Y103 HydrophobicContact CB-CE2 3.74Å; F76-Y103 HydrophobicContact CD2-CD2 4.47Å |
| 77 | T | 91.6 | Very high | 87.5 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 18% | 0.184 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -52.5 | -56.5 | 178.4 | -58.7 | 0 | 0 | 0 | 0 | 114.3 | V72 I73 V79 V80 Q81 Y103 F120 | V72-T77 PolarHBondContact O-OG1 3.03Å; I73-T77 VanDerWaalsContact O-CB 3.3Å; I73-T77 WeakPolarHBondContact O-CB 3.45Å; I73-T77 PolarHBondContact O-OG1 3.16Å; T77-V79 VanDerWaalsContact C-N 3.28Å; T77-V79 PolarHBondContact O-N 3.15Å; T77-V80 PolarHBondContact O-N 2.99Å; T77-Q81 WeakPolarHBondContact O-CB 3.39Å; T77-Q81 VanDerWaalsContact O-CG 3.31Å; T77-Q81 WeakPolarHBondContact O-CG 3.38Å; T77-Q81 PolarHBondContact O-N 3.19Å; T77-Y103 VanDerWaalsContact CA-OH 3.28Å; T77-Y103 WeakPolarHBondContact CA-OH 3.26Å; T77-Y103 WeakPolarHBondContact CB-OH 3.42Å; T77-Y103 PolarHBondContact OG1-OH 2.95Å; T77-F120 HydrophobicContact CG2-CD2 4.21Å; T77-F120 HydrophobicContact CG2-CE2 4.14Å |
| 78 | P | 89.6 | Confident | 86.4 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.4 | -31 | 178 | 25.1 | -34.8 | 0 | 0 | 0 | 113 | E74 V75 R82 | E74-P78 WeakPolarHBondContact O-CD 3.43Å; V75-P78 WeakPolarHBondContact O-CD 3.36Å; V75-P78 WeakPolarHBondContact O-CG 3.44Å; P78-R82 WeakPolarHBondContact O-CB 3.36Å; P78-R82 PolarHBondContact O-N 2.99Å |
| 79 | V | 89.2 | Confident | 85.6 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.7 | -47.9 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | L46 P51 V75 F76 T77 R82 I83 F99 | L46-V79 HydrophobicContact CB-CG2 3.6Å; L46-V79 HydrophobicContact CD1-CG2 4.29Å; P51-V79 HydrophobicContact CG-CG1 4.18Å; V75-V79 WeakPolarHBondContact O-CG2 3.41Å; F76-V79 PolarHBondContact O-N 2.96Å; F76-V79 VanDerWaalsContact O-N 3.17Å; T77-V79 VanDerWaalsContact C-N 3.28Å; T77-V79 PolarHBondContact O-N 3.15Å; V79-R82 WeakPolarHBondContact O-CB 3.38Å; V79-R82 PolarHBondContact O-N 2.68Å; V79-I83 HydrophobicContact CG1-CD1 4.12Å; V79-I83 WeakPolarHBondContact O-CG1 3.21Å; V79-I83 PolarHBondContact O-N 3.42Å; V79-F99 HydrophobicContact CG1-CE1 4.1Å |
| 80 | V | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.6 | -36.2 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | F76 T77 R82 I83 L84 F99 T100 Y103 F120 | F76-V80 WeakPolarHBondContact O-CG2 3.43Å; F76-V80 PolarHBondContact O-N 3.45Å; T77-V80 PolarHBondContact O-N 2.99Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R82 PolarHBondContact O-N 3.35Å; V80-I83 PolarHBondContact O-N 2.69Å; V80-L84 HydrophobicContact CG1-CD1 4.04Å; V80-L84 HydrophobicContact CG1-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CB 3.4Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 3Å; V80-F99 HydrophobicContact CG2-CD1 4.3Å; V80-F99 HydrophobicContact CG2-CE1 3.6Å; V80-F99 HydrophobicContact CG2-CZ 3.77Å; V80-T100 HydrophobicContact CG1-CG2 3.75Å; V80-Y103 HydrophobicContact CB-CD1 3.9Å; V80-Y103 HydrophobicContact CB-CE1 3.99Å; V80-Y103 HydrophobicContact CB-CG 4.35Å; V80-Y103 HydrophobicContact CG1-CD1 3.73Å; V80-Y103 HydrophobicContact CG1-CE1 4.01Å; V80-Y103 HydrophobicContact CG1-CG 4.48Å; V80-Y103 HydrophobicContact CG2-CD1 3.75Å; V80-Y103 HydrophobicContact CG2-CD2 4.14Å; V80-Y103 HydrophobicContact CG2-CE1 4.23Å; V80-Y103 HydrophobicContact CG2-CG 3.7Å; V80-F120 HydrophobicContact CB-CZ 4.4Å; V80-F120 HydrophobicContact CG1-CZ 3.98Å |
| 81 | Q | 91.1 | Very high | 84.4 | Confident | 44 Ų | 44 | 41.5 Ų | 41.5 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 168.6 | -75.3 | -178.6 | -12 | 0 | 0 | 111.7 | T77 L84 K85 F120 S123 M124 | T77-Q81 WeakPolarHBondContact O-CB 3.39Å; T77-Q81 VanDerWaalsContact O-CG 3.31Å; T77-Q81 WeakPolarHBondContact O-CG 3.38Å; T77-Q81 PolarHBondContact O-N 3.19Å; Q81-L84 PolarHBondContact O-N 3.4Å; Q81-K85 VanDerWaalsContact O-CB 3.3Å; Q81-K85 WeakPolarHBondContact O-CB 3.39Å; Q81-K85 WeakPolarHBondContact O-CG 3.19Å; Q81-K85 PolarHBondContact O-N 3.39Å; Q81-F120 HydrophobicContact CG-CE2 3.74Å; Q81-F120 HydrophobicContact CG-CZ 4.21Å; Q81-S123 PolarHBondContact NE2-OG 3.37Å; Q81-M124 HydrophobicContact CG-CG 3.98Å; Q81-M124 HydrophobicContact CG-SD 4.17Å |
| 82 | R | 88.4 | Confident | 83.7 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 174.9 | 170.4 | 170.4 | -72.9 | 104.9 | -5.3 | 111.8 | E47 P78 V79 V80 L84 K85 H86 | E47-R82 PolarHBondContact O-NH1 3.09Å; E47-R82 PolarHBondContact O-NH2 2.97Å; P78-R82 WeakPolarHBondContact O-CB 3.36Å; P78-R82 PolarHBondContact O-N 2.99Å; V79-R82 WeakPolarHBondContact O-CB 3.38Å; V79-R82 PolarHBondContact O-N 2.68Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R82 PolarHBondContact O-N 3.35Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 3.34Å; R82-K85 PolarHBondContact O-N 3.47Å; R82-H86 WeakPolarHBondContact O-CB 3.39Å; R82-H86 PolarHBondContact O-N 3Å |
| 83 | I | 87.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.8 | -49.7 | 177.4 | -67.8 | 164 | 0 | 0 | 0 | 109.9 | P51 V79 V80 K85 N87 F90 L96 F99 | P51-I83 HydrophobicContact CG-CD1 4.38Å; V79-I83 HydrophobicContact CG1-CD1 4.12Å; V79-I83 WeakPolarHBondContact O-CG1 3.21Å; V79-I83 PolarHBondContact O-N 3.42Å; V80-I83 PolarHBondContact O-N 2.69Å; I83-K85 PolarHBondContact O-N 2.83Å; I83-N87 HydrophobicContact CG2-CB 4.26Å; I83-N87 WeakPolarHBondContact O-CA 3.28Å; I83-N87 WeakPolarHBondContact O-CB 3.08Å; I83-N87 PolarHBondContact O-N 2.64Å; I83-F90 HydrophobicContact CG2-CE1 3.72Å; I83-F90 HydrophobicContact CG2-CZ 3.79Å; I83-L96 HydrophobicContact CD1-CD2 3.75Å; I83-L96 HydrophobicContact CG1-CD2 4.19Å; I83-F99 HydrophobicContact CD1-CD1 3.89Å; I83-F99 HydrophobicContact CD1-CE1 4.01Å |
| 84 | L | 89.9 | Confident | 83 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -34.4 | -179.1 | -69.2 | 173.2 | 0 | 0 | 0 | 113.3 | V80 Q81 R82 F90 T100 F120 M124 R135 V136 N139 L140 | V80-L84 HydrophobicContact CG1-CD1 4.04Å; V80-L84 HydrophobicContact CG1-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CB 3.4Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 3Å; Q81-L84 PolarHBondContact O-N 3.4Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 3.34Å; L84-F90 HydrophobicContact CD2-CZ 4.43Å; L84-T100 HydrophobicContact CD1-CG2 4.4Å; L84-T100 HydrophobicContact CD2-CG2 4Å; L84-T100 HydrophobicContact CG-CG2 4.3Å; L84-F120 HydrophobicContact CD1-CE1 3.97Å; L84-F120 HydrophobicContact CD1-CZ 4.1Å; L84-M124 HydrophobicContact CB-SD 4.01Å; L84-M124 HydrophobicContact CD1-CE 3.65Å; L84-M124 HydrophobicContact CD1-SD 3.49Å; L84-M124 WeakPolarHBondContact CD1-SD 3.46Å; L84-M124 HydrophobicContact CG-SD 4.39Å; L84-R135 CarbonylContact O-C 3.51Å; L84-V136 WeakPolarHBondContact O-CA 3.48Å; L84-V136 PolarHBondContact O-N 3.38Å; L84-N139 HydrophobicContact CD2-CB 3.72Å; L84-N139 PolarHBondContact O-ND2 2.84Å; L84-L140 HydrophobicContact CD1-CD2 3.71Å; L84-L140 HydrophobicContact CD1-CG 4.28Å; L84-L140 HydrophobicContact CD2-CD2 4.05Å; L84-L140 HydrophobicContact CD2-CG 4.2Å |
| 85 | K | 88.5 | Confident | 82.9 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 20% | 0.2 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -80 | -35.7 | -179.8 | -69.9 | 173.6 | -176.2 | -153.5 | 0 | 114.3 | Q81 R82 I83 H133 V136 | Q81-K85 VanDerWaalsContact O-CB 3.3Å; Q81-K85 WeakPolarHBondContact O-CB 3.39Å; Q81-K85 WeakPolarHBondContact O-CG 3.19Å; Q81-K85 PolarHBondContact O-N 3.39Å; R82-K85 PolarHBondContact O-N 3.47Å; I83-K85 PolarHBondContact O-N 2.83Å; K85-H133 WeakPolarHBondContact CD-NE2 3.33Å; K85-H133 WeakPolarHBondContact CE-CD2 3.4Å; K85-H133 WeakPolarHBondContact CE-NE2 3.47Å; K85-H133 HydrophobicContact CG-CB 4.16Å; K85-H133 PolarHBondContact NZ-CD2 3.48Å; K85-H133 PolarHBondContact NZ-NE2 3.25Å; K85-V136 HydrophobicContact CB-CG2 4.47Å; K85-V136 HydrophobicContact CG-CG2 3.72Å |
| 86 | H | 83.7 | Confident | 82.8 | Confident | 116 Ų | 116 | 48.8 Ų | 48.8 | 54% | 0.537 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -119.8 | -16.9 | -167.7 | -61.9 | -81.5 | 0 | 0 | 0 | 115 | R82 M88 | R82-H86 WeakPolarHBondContact O-CB 3.39Å; R82-H86 PolarHBondContact O-N 3Å; H86-M88 PolarHBondContact O-N 3.4Å |
| 87 | N | 77.6 | Confident | 82.8 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | trans | -64.1 | 131.8 | 176.1 | -173 | 24.8 | 0 | 0 | 0 | 110.6 | I83 D89 F90 N139 | I83-N87 HydrophobicContact CG2-CB 4.26Å; I83-N87 WeakPolarHBondContact O-CA 3.28Å; I83-N87 WeakPolarHBondContact O-CB 3.08Å; I83-N87 PolarHBondContact O-N 2.64Å; N87-D89 PolarHBondContact OD1-N 3.19Å; N87-F90 WeakPolarHBondContact ND2-CD1 3.42Å; N87-F90 WeakPolarHBondContact ND2-CE1 3.37Å; N87-N139 PolarHBondContact O-ND2 3.36Å; N87-N139 VanDerWaalsContact O-ND2 3.12Å | ||
| 88 | M | 61.9 | Low | 82.7 | Confident | 151 Ų | 151 | 54.1 Ų | 54.1 | 74% | 0.744 | 27% | 0.273 | S | S | * | . | trans | -86 | -29.6 | -178 | -63.2 | -158.1 | -156 | 0 | 0 | 113.6 | H86 R135 | H86-M88 PolarHBondContact O-N 3.4Å; M88-R135 PolarHBondContact O-NH1 2.67Å; M88-R135 VanDerWaalsContact O-NH1 3.11Å | ||
| 89 | D | 71.3 | Confident | 82.8 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -163.6 | 115.6 | -171.3 | -174.7 | -1.2 | 0 | 0 | 0 | 111.9 | N87 G91 K92 | N87-D89 PolarHBondContact OD1-N 3.19Å; D89-G91 VanDerWaalsContact C-N 3.33Å; D89-G91 WeakPolarHBondContact OD1-CA 3.26Å; D89-G91 PolarHBondContact OD1-N 2.81Å; D89-K92 HydrophobicContact CB-CD 4.33Å; D89-K92 HydrophobicContact CB-CG 4.48Å; D89-K92 WeakPolarHBondContact OD2-CE 3.31Å | ||
| 90 | F | 77.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -74.8 | -17.7 | 173.3 | -81 | -55.7 | 0 | 0 | 0 | 114 | I83 L84 N87 K92 C93 L96 R97 N139 A142 V143 | I83-F90 HydrophobicContact CG2-CE1 3.72Å; I83-F90 HydrophobicContact CG2-CZ 3.79Å; L84-F90 HydrophobicContact CD2-CZ 4.43Å; N87-F90 WeakPolarHBondContact ND2-CD1 3.42Å; N87-F90 WeakPolarHBondContact ND2-CE1 3.37Å; F90-K92 VanDerWaalsContact C-N 3.29Å; F90-K92 PolarHBondContact O-N 2.95Å; F90-C93 CarbonylContact O-C 3.5Å; F90-C93 VanDerWaalsContact O-C 3.23Å; F90-C93 PolarHBondContact O-N 3.04Å; F90-L96 HydrophobicContact CD1-CB 4.28Å; F90-L96 HydrophobicContact CE1-CB 4.04Å; F90-R97 HydrophobicContact CB-CB 4.12Å; F90-R97 HydrophobicContact CB-CG 4.38Å; F90-R97 HydrophobicContact CD1-CB 3.51Å; F90-R97 HydrophobicContact CD1-CG 4.19Å; F90-R97 HydrophobicContact CD2-CB 4.49Å; F90-R97 HydrophobicContact CD2-CG 4.3Å; F90-R97 HydrophobicContact CE1-CB 3.95Å; F90-R97 HydrophobicContact CG-CB 3.82Å; F90-R97 HydrophobicContact CG-CG 4.07Å; F90-N139 HydrophobicContact CD2-CB 4.42Å; F90-N139 HydrophobicContact CE2-CB 3.71Å; F90-A142 HydrophobicContact CD2-CB 4.13Å; F90-V143 HydrophobicContact CD2-CG2 4.44Å; F90-V143 HydrophobicContact CE2-CG2 3.69Å; F90-V143 HydrophobicContact CZ-CG2 3.95Å |
| 91 | G | 69.3 | Low | 83 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -64 | -34.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D89 | D89-G91 VanDerWaalsContact C-N 3.33Å; D89-G91 WeakPolarHBondContact OD1-CA 3.26Å; D89-G91 PolarHBondContact OD1-N 2.81Å |
| 92 | K | 72.3 | Confident | 83.1 | Confident | 165 Ų | 165 | 51.6 Ų | 51.6 | 72% | 0.717 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -77.2 | -23.1 | 174.9 | -66 | 175.7 | -172.3 | 176.5 | 0 | 113.7 | D89 F90 | D89-K92 HydrophobicContact CB-CD 4.33Å; D89-K92 HydrophobicContact CB-CG 4.48Å; D89-K92 WeakPolarHBondContact OD2-CE 3.31Å; F90-K92 VanDerWaalsContact C-N 3.29Å; F90-K92 PolarHBondContact O-N 2.95Å |
| 93 | C | 75.8 | Confident | 83.4 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | trans | -135.7 | 66.3 | -173.7 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | F90 R95 L96 | F90-C93 CarbonylContact O-C 3.5Å; F90-C93 VanDerWaalsContact O-C 3.23Å; F90-C93 PolarHBondContact O-N 3.04Å; C93-R95 PolarHBondContact O-N 2.87Å; C93-R95 VanDerWaalsContact O-N 3.16Å; C93-L96 HydrophobicContact CB-CB 4.26Å; C93-L96 HydrophobicContact CB-CD1 3.68Å; C93-L96 HydrophobicContact CB-CG 4.11Å; C93-L96 WeakPolarHBondContact O-CB 3.43Å; C93-L96 PolarHBondContact O-N 2.97Å | ||
| 94 | P | 81.4 | Confident | 83.8 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -27.4 | -174.8 | 23.8 | -34.5 | 0 | 0 | 0 | 113.5 | R97 L98 | P94-R97 WeakPolarHBondContact O-CB 3.35Å; P94-R97 PolarHBondContact O-N 2.85Å; P94-L98 PolarHBondContact O-N 2.9Å |
| 95 | R | 84.9 | Confident | 83.9 | Confident | 89 Ų | 89 | 49.7 Ų | 49.7 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.3 | -29.4 | 176.2 | -62.3 | -165.3 | -170.3 | 162.3 | -0.8 | 113.6 | P53 D54 C56 E57 C93 R97 L98 F99 | P53-R95 WeakPolarHBondContact O-CD 3.03Å; P53-R95 PolarHBondContact O-NH1 3.31Å; D54-R95 IonicContact OD1-CZ 3.72Å; D54-R95 IonicContact OD1-NH1 3.83Å; D54-R95 PolarHBondContact OD1-NH1 2.65Å; D54-R95 IonicContact OD1-NH2 3.57Å; C56-R95 HydrophobicContact CB-CB 3.99Å; E57-R95 IonicContact OE2-CZ 3.81Å; E57-R95 IonicContact OE2-NE 3.93Å; E57-R95 IonicContact OE2-NH1 3.79Å; E57-R95 IonicContact OE2-NH2 2.81Å; C93-R95 PolarHBondContact O-N 2.87Å; C93-R95 VanDerWaalsContact O-N 3.16Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-L98 PolarHBondContact O-N 2.86Å; R95-F99 WeakPolarHBondContact O-CB 3.42Å; R95-F99 PolarHBondContact O-N 2.9Å |
| 96 | L | 85.5 | Confident | 84.1 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.9 | -36.9 | 170.6 | -73.7 | 173.3 | 0 | 0 | 0 | 111.2 | P51 C56 I83 F90 C93 T100 | P51-L96 HydrophobicContact CG-CD2 3.72Å; C56-L96 VanDerWaalsContact SG-CD2 3.54Å; I83-L96 HydrophobicContact CD1-CD2 3.75Å; I83-L96 HydrophobicContact CG1-CD2 4.19Å; F90-L96 HydrophobicContact CD1-CB 4.28Å; F90-L96 HydrophobicContact CE1-CB 4.04Å; C93-L96 HydrophobicContact CB-CB 4.26Å; C93-L96 HydrophobicContact CB-CD1 3.68Å; C93-L96 HydrophobicContact CB-CG 4.11Å; C93-L96 WeakPolarHBondContact O-CB 3.43Å; C93-L96 PolarHBondContact O-N 2.97Å; L96-T100 WeakPolarHBondContact O-CB 3.42Å; L96-T100 PolarHBondContact O-N 3.16Å; L96-T100 PolarHBondContact O-OG1 3.29Å |
| 97 | R | 89.8 | Confident | 84.6 | Confident | 78 Ų | 78 | 42.3 Ų | 42.3 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 174.3 | -167.9 | 178.4 | 60.9 | -164.1 | -2.1 | 110.5 | F90 P94 R95 T100 Q101 V143 A146 | F90-R97 HydrophobicContact CB-CB 4.12Å; F90-R97 HydrophobicContact CB-CG 4.38Å; F90-R97 HydrophobicContact CD1-CB 3.51Å; F90-R97 HydrophobicContact CD1-CG 4.19Å; F90-R97 HydrophobicContact CD2-CB 4.49Å; F90-R97 HydrophobicContact CD2-CG 4.3Å; F90-R97 HydrophobicContact CE1-CB 3.95Å; F90-R97 HydrophobicContact CG-CB 3.82Å; F90-R97 HydrophobicContact CG-CG 4.07Å; P94-R97 WeakPolarHBondContact O-CB 3.35Å; P94-R97 PolarHBondContact O-N 2.85Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R97-T100 WeakPolarHBondContact O-CB 3.47Å; R97-T100 PolarHBondContact O-N 3.12Å; R97-Q101 WeakPolarHBondContact O-CG 3.44Å; R97-Q101 PolarHBondContact O-N 3.23Å; R97-V143 HydrophobicContact CG-CG2 3.95Å; R97-A146 VanDerWaalsContact CZ-CB 3.49Å |
| 98 | L | 89.6 | Confident | 85.3 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 177.5 | -174.4 | 64.5 | 0 | 0 | 0 | 111.7 | P94 R95 T100 Q101 E102 | P94-L98 PolarHBondContact O-N 2.9Å; R95-L98 PolarHBondContact O-N 2.86Å; L98-T100 VanDerWaalsContact C-N 3.31Å; L98-T100 PolarHBondContact O-N 3.15Å; L98-Q101 WeakPolarHBondContact O-CA 3.38Å; L98-Q101 WeakPolarHBondContact O-CB 3.34Å; L98-Q101 PolarHBondContact O-N 2.75Å; L98-E102 HydrophobicContact CD1-CG 4.4Å; L98-E102 HydrophobicContact CG-CG 4.42Å; L98-E102 WeakPolarHBondContact O-CG 3.35Å; L98-E102 PolarHBondContact O-N 2.66Å |
| 99 | F | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 175 | 169.5 | -125.6 | 0 | 0 | 0 | 112.4 | C56 F59 C60 F76 V79 V80 I83 R95 Q101 E102 Y103 | C56-F99 HydrophobicContact CB-CB 4.18Å; F59-F99 HydrophobicContact CB-CD2 3.48Å; F59-F99 VanDerWaalsContact CB-CD2 3.48Å; F59-F99 HydrophobicContact CB-CE2 3.43Å; F59-F99 VanDerWaalsContact CB-CE2 3.43Å; F59-F99 HydrophobicContact CB-CG 4.28Å; F59-F99 HydrophobicContact CB-CZ 4.15Å; F59-F99 HydrophobicContact CD2-CD1 4.42Å; F59-F99 HydrophobicContact CD2-CD2 4.34Å; F59-F99 HydrophobicContact CD2-CE1 4.06Å; F59-F99 AromaticContact CD2-CE2 4Å; F59-F99 HydrophobicContact CD2-CE2 4Å; F59-F99 AromaticContact CD2-CZ 3.84Å; F59-F99 HydrophobicContact CD2-CZ 3.84Å; F59-F99 HydrophobicContact CG-CD2 4.44Å; F59-F99 HydrophobicContact CG-CE2 4.14Å; F59-F99 HydrophobicContact CG-CZ 4.4Å; C60-F99 WeakPolarHBondContact SG-CA 3.46Å; F76-F99 HydrophobicContact CB-CZ 4.04Å; F76-F99 HydrophobicContact CD1-CE2 4.31Å; F76-F99 AromaticContact CD1-CZ 3.88Å; F76-F99 HydrophobicContact CD1-CZ 3.88Å; F76-F99 AromaticContact CD2-CE2 3.9Å; F76-F99 HydrophobicContact CD2-CE2 3.9Å; F76-F99 HydrophobicContact CD2-CZ 4.15Å; F76-F99 HydrophobicContact CE1-CE2 4.46Å; F76-F99 HydrophobicContact CE1-CZ 4.32Å; F76-F99 HydrophobicContact CE2-CE2 4.08Å; F76-F99 HydrophobicContact CG-CE2 4.03Å; F76-F99 AromaticContact CG-CZ 3.79Å; F76-F99 HydrophobicContact CG-CZ 3.79Å; F76-F99 HydrophobicContact CZ-CE2 4.35Å; V79-F99 HydrophobicContact CG1-CE1 4.1Å; V80-F99 HydrophobicContact CG2-CD1 4.3Å; V80-F99 HydrophobicContact CG2-CE1 3.6Å; V80-F99 HydrophobicContact CG2-CZ 3.77Å; I83-F99 HydrophobicContact CD1-CD1 3.89Å; I83-F99 HydrophobicContact CD1-CE1 4.01Å; R95-F99 WeakPolarHBondContact O-CB 3.42Å; R95-F99 PolarHBondContact O-N 2.9Å; F99-Q101 VanDerWaalsContact C-N 3.26Å; F99-Q101 PolarHBondContact O-N 3.44Å; F99-E102 PolarHBondContact O-N 2.79Å; F99-Y103 VanDerWaalsContact O-CB 3.28Å; F99-Y103 WeakPolarHBondContact O-CB 3.46Å; F99-Y103 PolarHBondContact O-N 3.08Å |
| 100 | T | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -37.6 | 174 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | V80 L84 L96 R97 L98 I104 V143 | V80-T100 HydrophobicContact CG1-CG2 3.75Å; L84-T100 HydrophobicContact CD1-CG2 4.4Å; L84-T100 HydrophobicContact CD2-CG2 4Å; L84-T100 HydrophobicContact CG-CG2 4.3Å; L96-T100 WeakPolarHBondContact O-CB 3.42Å; L96-T100 PolarHBondContact O-N 3.16Å; L96-T100 PolarHBondContact O-OG1 3.29Å; R97-T100 WeakPolarHBondContact O-CB 3.47Å; R97-T100 PolarHBondContact O-N 3.12Å; L98-T100 VanDerWaalsContact C-N 3.31Å; L98-T100 PolarHBondContact O-N 3.15Å; T100-I104 HydrophobicContact CG2-CD1 4.07Å; T100-I104 WeakPolarHBondContact O-CG1 3.44Å; T100-I104 PolarHBondContact O-N 2.86Å; T100-I104 VanDerWaalsContact O-N 3.12Å; T100-V143 HydrophobicContact CG2-CG1 4.16Å; T100-V143 HydrophobicContact CG2-CG2 3.71Å |
| 101 | Q | 93.3 | Very high | 87.9 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.2 | -50 | 177.6 | -70.4 | 169 | -36.7 | 0 | 0 | 112.4 | R97 L98 F99 Y103 I104 L105 V143 A147 Y269 | R97-Q101 WeakPolarHBondContact O-CG 3.44Å; R97-Q101 PolarHBondContact O-N 3.23Å; L98-Q101 WeakPolarHBondContact O-CA 3.38Å; L98-Q101 WeakPolarHBondContact O-CB 3.34Å; L98-Q101 PolarHBondContact O-N 2.75Å; F99-Q101 VanDerWaalsContact C-N 3.26Å; F99-Q101 PolarHBondContact O-N 3.44Å; Q101-Y103 VanDerWaalsContact C-N 3.28Å; Q101-Y103 PolarHBondContact O-N 3.02Å; Q101-I104 PolarHBondContact O-N 3.22Å; Q101-L105 WeakPolarHBondContact O-CG 3.47Å; Q101-L105 PolarHBondContact O-N 3.3Å; Q101-V143 HydrophobicContact CG-CG1 3.7Å; Q101-V143 PolarHBondContact NE2-O 2.9Å; Q101-A147 HydrophobicContact CG-CB 4.4Å; Q101-Y269 VanDerWaalsContact C-OH 3.3Å; Q101-Y269 WeakPolarHBondContact CA-OH 3.5Å; Q101-Y269 PolarHBondContact O-OH 3.42Å |
| 102 | E | 92.9 | Very high | 88.8 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -35.4 | 179.7 | -60.7 | -61.5 | 160.3 | 0 | 0 | 111.7 | C60 C63 R64 L98 F99 A106 | C60-E102 HydrophobicContact CB-CB 4.43Å; C60-E102 HydrophobicContact CB-CG 3.94Å; C63-E102 HydrophobicContact CB-CB 3.94Å; R64-E102 WeakPolarHBondContact CG-OE2 3.4Å; R64-E102 IonicContact CZ-OE1 2.7Å; R64-E102 IonicContact CZ-OE2 2.67Å; R64-E102 IonicContact NE-OE1 2.7Å; R64-E102 PolarHBondContact NE-OE1 3.05Å; R64-E102 IonicContact NE-OE2 2.76Å; R64-E102 PolarHBondContact NE-OE2 3.12Å; R64-E102 IonicContact NH2-OE1 3.68Å; R64-E102 PolarHBondContact NH2-OE1 3.07Å; R64-E102 IonicContact NH2-OE2 3.18Å; L98-E102 HydrophobicContact CD1-CG 4.4Å; L98-E102 HydrophobicContact CG-CG 4.42Å; L98-E102 WeakPolarHBondContact O-CG 3.35Å; L98-E102 PolarHBondContact O-N 2.66Å; F99-E102 PolarHBondContact O-N 2.79Å; E102-A106 WeakPolarHBondContact O-CB 3.46Å; E102-A106 PolarHBondContact O-N 2.92Å |
| 103 | Y | 94.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 172.9 | 168.8 | -94.9 | 0 | 0 | 0 | 112.7 | V72 F76 T77 V80 F99 Q101 L105 A106 L107 F120 | V72-Y103 HydrophobicContact CG1-CD2 4.03Å; V72-Y103 HydrophobicContact CG1-CE2 4.08Å; V72-Y103 WeakPolarHBondContact O-CE2 3.49Å; F76-Y103 HydrophobicContact CB-CD2 3.63Å; F76-Y103 HydrophobicContact CB-CE2 3.74Å; F76-Y103 HydrophobicContact CD2-CD2 4.47Å; T77-Y103 VanDerWaalsContact CA-OH 3.28Å; T77-Y103 WeakPolarHBondContact CA-OH 3.26Å; T77-Y103 WeakPolarHBondContact CB-OH 3.42Å; T77-Y103 PolarHBondContact OG1-OH 2.95Å; V80-Y103 HydrophobicContact CB-CD1 3.9Å; V80-Y103 HydrophobicContact CB-CE1 3.99Å; V80-Y103 HydrophobicContact CB-CG 4.35Å; V80-Y103 HydrophobicContact CG1-CD1 3.73Å; V80-Y103 HydrophobicContact CG1-CE1 4.01Å; V80-Y103 HydrophobicContact CG1-CG 4.48Å; V80-Y103 HydrophobicContact CG2-CD1 3.75Å; V80-Y103 HydrophobicContact CG2-CD2 4.14Å; V80-Y103 HydrophobicContact CG2-CE1 4.23Å; V80-Y103 HydrophobicContact CG2-CG 3.7Å; F99-Y103 VanDerWaalsContact O-CB 3.28Å; F99-Y103 WeakPolarHBondContact O-CB 3.46Å; F99-Y103 PolarHBondContact O-N 3.08Å; Q101-Y103 VanDerWaalsContact C-N 3.28Å; Q101-Y103 PolarHBondContact O-N 3.02Å; Y103-L105 VanDerWaalsContact C-N 3.33Å; Y103-L105 PolarHBondContact O-N 3.04Å; Y103-A106 WeakPolarHBondContact O-CB 3.23Å; Y103-A106 PolarHBondContact O-N 2.99Å; Y103-L107 HydrophobicContact CD1-CD1 4.33Å; Y103-L107 HydrophobicContact CD1-CG 4.47Å; Y103-L107 HydrophobicContact CE1-CD1 3.52Å; Y103-L107 HydrophobicContact CE1-CG 3.95Å; Y103-L107 HydrophobicContact CE2-CD2 4.19Å; Y103-L107 HydrophobicContact CE2-CG 4.24Å; Y103-L107 PolarHBondContact O-N 3.45Å; Y103-F120 HydrophobicContact CE1-CD2 4.24Å; Y103-F120 HydrophobicContact CE1-CE1 4.11Å; Y103-F120 AromaticContact CE1-CE2 3.73Å; Y103-F120 HydrophobicContact CE1-CE2 3.73Å; Y103-F120 AromaticContact CE1-CZ 3.68Å; Y103-F120 HydrophobicContact CE1-CZ 3.68Å; Y103-F120 WeakPolarHBondContact OH-CE2 3.32Å |
| 104 | I | 95.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 178.3 | -74.6 | 168.1 | 0 | 0 | 0 | 111.1 | T100 Q101 L107 N108 V117 L140 V143 Y269 I272 | T100-I104 HydrophobicContact CG2-CD1 4.07Å; T100-I104 WeakPolarHBondContact O-CG1 3.44Å; T100-I104 PolarHBondContact O-N 2.86Å; T100-I104 VanDerWaalsContact O-N 3.12Å; Q101-I104 PolarHBondContact O-N 3.22Å; I104-L107 PolarHBondContact O-N 3.05Å; I104-N108 PolarHBondContact O-N 2.88Å; I104-N108 VanDerWaalsContact O-N 3.12Å; I104-V117 HydrophobicContact CG2-CG1 4.16Å; I104-L140 HydrophobicContact CD1-CD2 4.37Å; I104-V143 HydrophobicContact CD1-CG1 3.94Å; I104-Y269 HydrophobicContact CB-CE1 4.42Å; I104-Y269 HydrophobicContact CD1-CE1 4.4Å; I104-Y269 HydrophobicContact CG2-CE1 3.87Å; I104-I272 HydrophobicContact CG2-CD1 3.61Å |
| 105 | L | 93.9 | Very high | 91 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 12% | 0.12 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 173.5 | -69.1 | 174.7 | 0 | 0 | 0 | 111.7 | Q101 Y103 L107 N108 E109 T265 C268 Y269 | Q101-L105 WeakPolarHBondContact O-CG 3.47Å; Q101-L105 PolarHBondContact O-N 3.3Å; Y103-L105 VanDerWaalsContact C-N 3.33Å; Y103-L105 PolarHBondContact O-N 3.04Å; L105-L107 VanDerWaalsContact C-N 3.35Å; L105-L107 PolarHBondContact O-N 3.04Å; L105-N108 WeakPolarHBondContact O-CA 3.29Å; L105-N108 WeakPolarHBondContact O-CB 3.42Å; L105-N108 PolarHBondContact O-N 3.17Å; L105-E109 PolarHBondContact O-N 3.25Å; L105-T265 HydrophobicContact CD1-CG2 4.21Å; L105-T265 HydrophobicContact CD2-CG2 4.26Å; L105-C268 HydrophobicContact CD2-CB 4.22Å; L105-Y269 HydrophobicContact CD1-CE2 4.38Å; L105-Y269 HydrophobicContact CD2-CE2 3.81Å; L105-Y269 HydrophobicContact CG-CE2 4Å |
| 106 | A | 92.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | C63 P67 V72 E102 Y103 N108 E109 | C63-A106 HydrophobicContact CB-CB 4.05Å; P67-A106 HydrophobicContact CB-CB 3.68Å; V72-A106 HydrophobicContact CG1-CB 4.03Å; E102-A106 WeakPolarHBondContact O-CB 3.46Å; E102-A106 PolarHBondContact O-N 2.92Å; Y103-A106 WeakPolarHBondContact O-CB 3.23Å; Y103-A106 PolarHBondContact O-N 2.99Å; A106-N108 VanDerWaalsContact C-N 3.28Å; A106-N108 PolarHBondContact O-N 3.18Å; A106-E109 PolarHBondContact O-N 3.11Å; A106-E109 VanDerWaalsContact O-N 3.15Å |
| 107 | L | 92.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -38.4 | 171.6 | -71.1 | -172.5 | 0 | 0 | 0 | 112.3 | V72 Y103 I104 L105 E109 L110 V116 V117 F120 | V72-L107 HydrophobicContact CG1-CD2 4.45Å; Y103-L107 HydrophobicContact CD1-CD1 4.33Å; Y103-L107 HydrophobicContact CD1-CG 4.47Å; Y103-L107 HydrophobicContact CE1-CD1 3.52Å; Y103-L107 HydrophobicContact CE1-CG 3.95Å; Y103-L107 HydrophobicContact CE2-CD2 4.19Å; Y103-L107 HydrophobicContact CE2-CG 4.24Å; Y103-L107 PolarHBondContact O-N 3.45Å; I104-L107 PolarHBondContact O-N 3.05Å; L105-L107 VanDerWaalsContact C-N 3.35Å; L105-L107 PolarHBondContact O-N 3.04Å; L107-E109 PolarHBondContact O-N 3.34Å; L107-L110 HydrophobicContact CD2-CD1 3.89Å; L107-L110 WeakPolarHBondContact O-CB 3.4Å; L107-L110 WeakPolarHBondContact O-CG 3.46Å; L107-L110 PolarHBondContact O-N 2.68Å; L107-V116 HydrophobicContact CD2-CG1 4.22Å; L107-V117 HydrophobicContact CB-CG2 3.97Å; L107-F120 HydrophobicContact CD1-CB 3.95Å; L107-F120 HydrophobicContact CD1-CD1 4.26Å; L107-F120 HydrophobicContact CD1-CD2 4.2Å; L107-F120 HydrophobicContact CD1-CG 3.88Å |
| 108 | N | 93.3 | Very high | 92.2 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.2 | -13.2 | 178.8 | -166.7 | 46.3 | 0 | 0 | 0 | 113.6 | I104 L105 A106 G113 M114 V117 | I104-N108 PolarHBondContact O-N 2.88Å; I104-N108 VanDerWaalsContact O-N 3.12Å; L105-N108 WeakPolarHBondContact O-CA 3.29Å; L105-N108 WeakPolarHBondContact O-CB 3.42Å; L105-N108 PolarHBondContact O-N 3.17Å; A106-N108 VanDerWaalsContact C-N 3.28Å; A106-N108 PolarHBondContact O-N 3.18Å; N108-G113 WeakPolarHBondContact O-CA 3.37Å; N108-M114 VanDerWaalsContact OD1-CA 3.27Å; N108-M114 WeakPolarHBondContact OD1-CA 3.11Å; N108-M114 PolarHBondContact OD1-N 3.21Å; N108-V117 HydrophobicContact CB-CG2 4Å |
| 109 | E | 89.8 | Confident | 92.4 | Very high | 74 Ų | 74 | 38 Ų | 38 | 35% | 0.346 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.9 | 174.5 | -68 | -166.1 | -170.7 | 0 | 0 | 114.2 | P67 R68 L105 A106 L107 | P67-E109 HydrophobicContact CB-CB 4.06Å; P67-E109 HydrophobicContact CG-CB 4.2Å; P67-E109 WeakPolarHBondContact CG-OE2 3.43Å; R68-E109 PolarHBondContact NE-O 2.78Å; R68-E109 PolarHBondContact NH2-O 2.61Å; L105-E109 PolarHBondContact O-N 3.25Å; A106-E109 PolarHBondContact O-N 3.11Å; A106-E109 VanDerWaalsContact O-N 3.15Å; L107-E109 PolarHBondContact O-N 3.34Å |
| 110 | L | 89.4 | Confident | 92.5 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -68.9 | 162.2 | 169.1 | -59.4 | 177.7 | 0 | 0 | 0 | 111.1 | P67 R68 I73 L107 A112 G113 V116 | P67-L110 WeakPolarHBondContact O-CD2 3.45Å; R68-L110 HydrophobicContact CB-CD2 4.34Å; R68-L110 HydrophobicContact CG-CD2 3.98Å; I73-L110 HydrophobicContact CD1-CD1 4.18Å; I73-L110 HydrophobicContact CD1-CD2 4.15Å; I73-L110 HydrophobicContact CG1-CD1 4.14Å; L107-L110 HydrophobicContact CD2-CD1 3.89Å; L107-L110 WeakPolarHBondContact O-CB 3.4Å; L107-L110 WeakPolarHBondContact O-CG 3.46Å; L107-L110 PolarHBondContact O-N 2.68Å; L110-A112 PolarHBondContact O-N 3.13Å; L110-G113 WeakPolarHBondContact O-CA 3.2Å; L110-G113 PolarHBondContact O-N 3.21Å; L110-V116 HydrophobicContact CB-CG2 4.21Å; L110-V116 HydrophobicContact CD1-CB 4.5Å; L110-V116 HydrophobicContact CD1-CG1 4Å; L110-V116 HydrophobicContact CD1-CG2 4.33Å |
| 111 | N | 85.8 | Confident | 92.6 | Very high | 156 Ų | 156 | 38.5 Ų | 38.5 | 83% | 0.834 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24 | -170.9 | -65.4 | -12 | 0 | 0 | 0 | 115.2 | ||
| 112 | A | 87.2 | Confident | 92.5 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 54% | 0.537 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 4.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L110 M114 E115 V116 | L110-A112 PolarHBondContact O-N 3.13Å; A112-M114 PolarHBondContact O-N 2.95Å; A112-E115 WeakPolarHBondContact O-CB 3.14Å; A112-E115 PolarHBondContact O-N 3.12Å; A112-E115 VanDerWaalsContact O-N 3.12Å; A112-V116 HydrophobicContact CB-CG2 3.81Å |
| 113 | G | 91.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | -128.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N108 L110 E115 V116 | N108-G113 WeakPolarHBondContact O-CA 3.37Å; L110-G113 WeakPolarHBondContact O-CA 3.2Å; L110-G113 PolarHBondContact O-N 3.21Å; G113-E115 PolarHBondContact O-N 2.85Å; G113-V116 WeakPolarHBondContact O-CB 3.2Å; G113-V116 PolarHBondContact O-N 3.42Å |
| 114 | M | 92.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.8 | -28.7 | -178 | -170.7 | 62.4 | -165.9 | 0 | 0 | 113.3 | N108 A112 V116 V117 K118 E271 I272 | N108-M114 VanDerWaalsContact OD1-CA 3.27Å; N108-M114 WeakPolarHBondContact OD1-CA 3.11Å; N108-M114 PolarHBondContact OD1-N 3.21Å; A112-M114 PolarHBondContact O-N 2.95Å; M114-V116 PolarHBondContact O-N 3.45Å; M114-V117 HydrophobicContact CE-CB 4.21Å; M114-V117 HydrophobicContact CE-CG1 4.06Å; M114-V117 CarbonylContact O-C 3.23Å; M114-V117 WeakPolarHBondContact O-CA 3.4Å; M114-V117 WeakPolarHBondContact O-CB 3.47Å; M114-V117 PolarHBondContact O-N 3.09Å; M114-V117 HydrophobicContact SD-CB 3.95Å; M114-V117 HydrophobicContact SD-CG1 4.26Å; M114-V117 HydrophobicContact SD-CG2 4.28Å; M114-K118 HydrophobicContact CE-CG 4.38Å; M114-K118 HydrophobicContact CG-CG 4.37Å; M114-K118 WeakPolarHBondContact O-CG 3.36Å; M114-K118 PolarHBondContact O-N 2.95Å; M114-E271 HydrophobicContact CE-CB 3.82Å; M114-E271 HydrophobicContact CE-CG 3.59Å; M114-E271 HydrophobicContact CG-CG 3.82Å; M114-E271 HydrophobicContact SD-CB 4.29Å; M114-E271 HydrophobicContact SD-CG 4.09Å; M114-I272 HydrophobicContact CE-CG1 3.63Å |
| 115 | E | 93.8 | Very high | 92 | Very high | 93 Ų | 93 | 43.9 Ų | 43.9 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.7 | -18.6 | -178.7 | -138.7 | 65.3 | 179.6 | 0 | 0 | 113 | A112 G113 K118 K119 | A112-E115 WeakPolarHBondContact O-CB 3.14Å; A112-E115 PolarHBondContact O-N 3.12Å; A112-E115 VanDerWaalsContact O-N 3.12Å; G113-E115 PolarHBondContact O-N 2.85Å; E115-K118 IonicContact OE1-NZ 3.56Å; E115-K118 VanDerWaalsContact OE2-CD 3.31Å; E115-K118 WeakPolarHBondContact OE2-CD 3.41Å; E115-K118 VanDerWaalsContact OE2-CE 3.32Å; E115-K118 WeakPolarHBondContact OE2-CE 3.44Å; E115-K118 IonicContact OE2-NZ 3.99Å; E115-K118 PolarHBondContact OE2-NZ 3.25Å; E115-K119 VanDerWaalsContact O-CG 3.29Å; E115-K119 WeakPolarHBondContact O-CG 3.28Å; E115-K119 PolarHBondContact O-N 2.87Å |
| 116 | V | 94.1 | Very high | 91.4 | Very high | 39 Ų | 39 | 44 Ų | 44 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.5 | -42.4 | 165.9 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | L107 L110 A112 G113 M114 K119 F120 | L107-V116 HydrophobicContact CD2-CG1 4.22Å; L110-V116 HydrophobicContact CB-CG2 4.21Å; L110-V116 HydrophobicContact CD1-CB 4.5Å; L110-V116 HydrophobicContact CD1-CG1 4Å; L110-V116 HydrophobicContact CD1-CG2 4.33Å; A112-V116 HydrophobicContact CB-CG2 3.81Å; G113-V116 WeakPolarHBondContact O-CB 3.2Å; G113-V116 PolarHBondContact O-N 3.42Å; M114-V116 PolarHBondContact O-N 3.45Å; V116-K119 PolarHBondContact O-N 2.82Å; V116-F120 WeakPolarHBondContact O-CB 3.25Å; V116-F120 PolarHBondContact O-N 3Å |
| 117 | V | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 177 | -174.5 | 0 | 0 | 0 | 0 | 111 | I104 L107 N108 M114 F120 I121 I272 | I104-V117 HydrophobicContact CG2-CG1 4.16Å; L107-V117 HydrophobicContact CB-CG2 3.97Å; N108-V117 HydrophobicContact CB-CG2 4Å; M114-V117 HydrophobicContact CE-CB 4.21Å; M114-V117 HydrophobicContact CE-CG1 4.06Å; M114-V117 CarbonylContact O-C 3.23Å; M114-V117 WeakPolarHBondContact O-CA 3.4Å; M114-V117 WeakPolarHBondContact O-CB 3.47Å; M114-V117 PolarHBondContact O-N 3.09Å; M114-V117 HydrophobicContact SD-CB 3.95Å; M114-V117 HydrophobicContact SD-CG1 4.26Å; M114-V117 HydrophobicContact SD-CG2 4.28Å; V117-F120 WeakPolarHBondContact O-CB 3.43Å; V117-F120 PolarHBondContact O-N 3.22Å; V117-I121 HydrophobicContact CG1-CD1 4.05Å; V117-I121 WeakPolarHBondContact O-CG1 3.48Å; V117-I121 PolarHBondContact O-N 2.74Å; V117-I272 HydrophobicContact CG1-CD1 3.82Å; V117-I272 HydrophobicContact CG1-CG1 3.91Å |
| 118 | K | 94.6 | Very high | 89.6 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 174.7 | -58.3 | -162.5 | -170.2 | 137.8 | 0 | 111.7 | M114 E115 F120 I121 Q122 E271 L275 | M114-K118 HydrophobicContact CE-CG 4.38Å; M114-K118 HydrophobicContact CG-CG 4.37Å; M114-K118 WeakPolarHBondContact O-CG 3.36Å; M114-K118 PolarHBondContact O-N 2.95Å; E115-K118 IonicContact OE1-NZ 3.56Å; E115-K118 VanDerWaalsContact OE2-CD 3.31Å; E115-K118 WeakPolarHBondContact OE2-CD 3.41Å; E115-K118 VanDerWaalsContact OE2-CE 3.32Å; E115-K118 WeakPolarHBondContact OE2-CE 3.44Å; E115-K118 IonicContact OE2-NZ 3.99Å; E115-K118 PolarHBondContact OE2-NZ 3.25Å; K118-F120 VanDerWaalsContact C-N 3.34Å; K118-F120 PolarHBondContact O-N 3.13Å; K118-I121 PolarHBondContact O-N 2.94Å; K118-Q122 WeakPolarHBondContact O-CB 3.42Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.38Å; K118-Q122 PolarHBondContact O-N 3.43Å; K118-E271 IonicContact NZ-OE1 2.79Å; K118-L275 HydrophobicContact CB-CD2 4.03Å; K118-L275 HydrophobicContact CD-CD1 4.44Å; K118-L275 HydrophobicContact CG-CD2 4.01Å |
| 119 | K | 93.5 | Very high | 88.7 | Confident | 136 Ų | 136 | 55.3 Ų | 55.3 | 59% | 0.591 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.1 | -38.8 | 175.5 | -74.5 | 173.7 | -177.6 | 178.5 | 0 | 112.5 | E115 V116 Q122 S123 | E115-K119 VanDerWaalsContact O-CG 3.29Å; E115-K119 WeakPolarHBondContact O-CG 3.28Å; E115-K119 PolarHBondContact O-N 2.87Å; V116-K119 PolarHBondContact O-N 2.82Å; K119-Q122 PolarHBondContact O-N 3.23Å; K119-S123 WeakPolarHBondContact O-CB 3.47Å; K119-S123 PolarHBondContact O-N 2.87Å |
| 120 | F | 94.6 | Very high | 88.4 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 4% | 0.044 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 174.5 | 173.8 | -102.3 | 0 | 0 | 0 | 111.5 | T77 V80 Q81 L84 Y103 L107 V116 V117 K118 S123 M124 | T77-F120 HydrophobicContact CG2-CD2 4.21Å; T77-F120 HydrophobicContact CG2-CE2 4.14Å; V80-F120 HydrophobicContact CB-CZ 4.4Å; V80-F120 HydrophobicContact CG1-CZ 3.98Å; Q81-F120 HydrophobicContact CG-CE2 3.74Å; Q81-F120 HydrophobicContact CG-CZ 4.21Å; L84-F120 HydrophobicContact CD1-CE1 3.97Å; L84-F120 HydrophobicContact CD1-CZ 4.1Å; Y103-F120 HydrophobicContact CE1-CD2 4.24Å; Y103-F120 HydrophobicContact CE1-CE1 4.11Å; Y103-F120 AromaticContact CE1-CE2 3.73Å; Y103-F120 HydrophobicContact CE1-CE2 3.73Å; Y103-F120 AromaticContact CE1-CZ 3.68Å; Y103-F120 HydrophobicContact CE1-CZ 3.68Å; Y103-F120 WeakPolarHBondContact OH-CE2 3.32Å; L107-F120 HydrophobicContact CD1-CB 3.95Å; L107-F120 HydrophobicContact CD1-CD1 4.26Å; L107-F120 HydrophobicContact CD1-CD2 4.2Å; L107-F120 HydrophobicContact CD1-CG 3.88Å; V116-F120 WeakPolarHBondContact O-CB 3.25Å; V116-F120 PolarHBondContact O-N 3Å; V117-F120 WeakPolarHBondContact O-CB 3.43Å; V117-F120 PolarHBondContact O-N 3.22Å; K118-F120 VanDerWaalsContact C-N 3.34Å; K118-F120 PolarHBondContact O-N 3.13Å; F120-S123 WeakPolarHBondContact O-CB 3.17Å; F120-S123 PolarHBondContact O-N 3.18Å; F120-S123 PolarHBondContact O-OG 3.17Å; F120-M124 HydrophobicContact CD1-CE 3.65Å; F120-M124 HydrophobicContact CE1-CE 3.27Å; F120-M124 HydrophobicContact CE1-SD 3.98Å; F120-M124 HydrophobicContact CG-CE 4.45Å; F120-M124 HydrophobicContact CZ-CE 3.8Å; F120-M124 HydrophobicContact CZ-SD 3.86Å; F120-M124 PolarHBondContact O-N 2.73Å |
| 121 | I | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 177.4 | -67.4 | 166.6 | 0 | 0 | 0 | 111.4 | V117 K118 S123 M124 H125 L140 I272 L275 L276 Y279 W282 | V117-I121 HydrophobicContact CG1-CD1 4.05Å; V117-I121 WeakPolarHBondContact O-CG1 3.48Å; V117-I121 PolarHBondContact O-N 2.74Å; K118-I121 PolarHBondContact O-N 2.94Å; I121-S123 VanDerWaalsContact C-N 3.26Å; I121-S123 PolarHBondContact O-N 2.98Å; I121-M124 HydrophobicContact CG1-CE 4.22Å; I121-M124 PolarHBondContact O-N 2.99Å; I121-H125 PolarHBondContact O-N 3.47Å; I121-L140 HydrophobicContact CG1-CD1 4.31Å; I121-L140 HydrophobicContact CG2-CD1 4.33Å; I121-I272 HydrophobicContact CD1-CB 4.35Å; I121-I272 HydrophobicContact CD1-CD1 4.43Å; I121-I272 HydrophobicContact CD1-CG1 3.91Å; I121-I272 HydrophobicContact CD1-CG2 3.75Å; I121-L275 HydrophobicContact CB-CD2 3.88Å; I121-L275 HydrophobicContact CD1-CD2 3.81Å; I121-L275 HydrophobicContact CG1-CD2 4.44Å; I121-L275 HydrophobicContact CG2-CD2 3.88Å; I121-L276 HydrophobicContact CG2-CD2 4.27Å; I121-Y279 HydrophobicContact CG2-CE2 4.48Å; I121-W282 HydrophobicContact CG2-CH2 4.11Å; I121-W282 HydrophobicContact CG2-CZ3 3.93Å |
| 122 | Q | 92.4 | Very high | 88.2 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.8 | -39 | 173 | -74.5 | 166.9 | -5.6 | 0 | 0 | 112.2 | K118 K119 M124 H125 G126 Y279 | K118-Q122 WeakPolarHBondContact O-CB 3.42Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.38Å; K118-Q122 PolarHBondContact O-N 3.43Å; K119-Q122 PolarHBondContact O-N 3.23Å; Q122-M124 PolarHBondContact O-N 2.73Å; Q122-H125 PolarHBondContact O-N 2.65Å; Q122-G126 PolarHBondContact O-N 2.95Å; Q122-Y279 WeakPolarHBondContact CG-OH 3.21Å |
| 123 | S | 92.1 | Very high | 88.2 | Confident | 60 Ų | 60 | 54.2 Ų | 54.2 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -23.6 | 177.5 | 80.5 | 0 | 0 | 0 | 0 | 114 | Q81 K119 F120 I121 | Q81-S123 PolarHBondContact NE2-OG 3.37Å; K119-S123 WeakPolarHBondContact O-CB 3.47Å; K119-S123 PolarHBondContact O-N 2.87Å; F120-S123 WeakPolarHBondContact O-CB 3.17Å; F120-S123 PolarHBondContact O-N 3.18Å; F120-S123 PolarHBondContact O-OG 3.17Å; I121-S123 VanDerWaalsContact C-N 3.26Å; I121-S123 PolarHBondContact O-N 2.98Å |
| 124 | M | 90.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -90.8 | -33 | 177 | -65.2 | -175.3 | -69.6 | 0 | 0 | 112.9 | Q81 L84 F120 I121 Q122 V136 L140 | Q81-M124 HydrophobicContact CG-CG 3.98Å; Q81-M124 HydrophobicContact CG-SD 4.17Å; L84-M124 HydrophobicContact CB-SD 4.01Å; L84-M124 HydrophobicContact CD1-CE 3.65Å; L84-M124 HydrophobicContact CD1-SD 3.49Å; L84-M124 WeakPolarHBondContact CD1-SD 3.46Å; L84-M124 HydrophobicContact CG-SD 4.39Å; F120-M124 HydrophobicContact CD1-CE 3.65Å; F120-M124 HydrophobicContact CE1-CE 3.27Å; F120-M124 HydrophobicContact CE1-SD 3.98Å; F120-M124 HydrophobicContact CG-CE 4.45Å; F120-M124 HydrophobicContact CZ-CE 3.8Å; F120-M124 HydrophobicContact CZ-SD 3.86Å; F120-M124 PolarHBondContact O-N 2.73Å; I121-M124 HydrophobicContact CG1-CE 4.22Å; I121-M124 PolarHBondContact O-N 2.99Å; Q122-M124 PolarHBondContact O-N 2.73Å; M124-V136 HydrophobicContact CB-CG1 3.98Å; M124-V136 HydrophobicContact CB-CG2 4.4Å; M124-V136 HydrophobicContact CE-CG1 4.4Å; M124-V136 HydrophobicContact SD-CG1 4.35Å; M124-L140 HydrophobicContact CE-CD1 4.1Å; M124-L140 HydrophobicContact CE-CD2 4.34Å |
| 125 | H | 88.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.032 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 170.5 | -174.1 | -77.7 | 0 | 0 | 0 | 111.5 | I121 Q122 T128 P132 Y279 D281 W282 | I121-H125 PolarHBondContact O-N 3.47Å; Q122-H125 PolarHBondContact O-N 2.65Å; H125-T128 PolarHBondContact CE1-O 3.42Å; H125-P132 WeakPolarHBondContact O-CD 3.2Å; H125-Y279 HydrophobicContact CB-CE1 3.93Å; H125-Y279 AromaticContact CD2-CD1 3.27Å; H125-Y279 WeakPolarHBondContact CD2-CD1 3.5Å; H125-Y279 AromaticContact CD2-CE1 3.53Å; H125-Y279 AromaticContact CD2-CG 3.85Å; H125-Y279 AromaticContact CE1-CD1 3.7Å; H125-Y279 AromaticContact CE1-CE1 3.99Å; H125-Y279 AromaticContact CG-CD1 3.67Å; H125-Y279 AromaticContact CG-CE1 3.42Å; H125-Y279 VanDerWaalsContact CG-CE1 3.42Å; H125-Y279 AromaticContact ND1-CD1 3.9Å; H125-Y279 AromaticContact ND1-CE1 3.71Å; H125-Y279 AromaticContact NE2-CD1 3.33Å; H125-Y279 VanDerWaalsContact NE2-CD1 3.33Å; H125-Y279 WeakPolarHBondContact NE2-CD1 3.42Å; H125-Y279 AromaticContact NE2-CE1 3.92Å; H125-D281 IonicContact CD2-OD1 3.82Å; H125-D281 IonicContact NE2-OD1 2.75Å; H125-D281 PolarHBondContact NE2-OD1 3.29Å; H125-D281 VanDerWaalsContact NE2-OD1 3.07Å; H125-D281 IonicContact NE2-OD2 3.23Å; H125-W282 HydrophobicContact CB-CH2 3.8Å; H125-W282 HydrophobicContact CB-CZ2 4.06Å; H125-W282 HydrophobicContact CB-CZ3 4.44Å; H125-W282 AromaticContact CD2-CD2 3.94Å; H125-W282 AromaticContact CD2-CE2 3.64Å; H125-W282 AromaticContact CD2-CH2 3.84Å; H125-W282 AromaticContact CD2-CZ2 3.63Å |
| 126 | G | 81.9 | Confident | 87.8 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 25% | 0.247 | 33% | 0.334 | C | S | . | . | trans | 80.2 | 170.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q122 T128 | Q122-G126 PolarHBondContact O-N 2.95Å; G126-T128 VanDerWaalsContact C-N 3.26Å; G126-T128 PolarHBondContact O-N 3.48Å | ||
| 127 | P | 75.1 | Confident | 87.7 | Confident | 142 Ų | 142 | 56.5 Ų | 56.5 | 92% | 0.922 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -80.1 | -3.4 | -176.8 | 34.7 | -37.6 | 0 | 0 | 0 | 114 | ||
| 128 | T | 72.1 | Confident | 87.6 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -77.7 | 146.8 | 177.8 | 42.7 | 0 | 0 | 0 | 0 | 110.6 | H125 G126 H130 | H125-T128 PolarHBondContact CE1-O 3.42Å; G126-T128 VanDerWaalsContact C-N 3.26Å; G126-T128 PolarHBondContact O-N 3.48Å; T128-H130 PolarHBondContact O-N 3.19Å; T128-H130 PolarHBondContact OG1-O 2.9Å |
| 129 | G | 74.4 | Confident | 87.6 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -68.8 | 11.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 130 | H | 84 | Confident | 87.6 | Confident | 145 Ų | 145 | 50.8 Ų | 50.8 | 67% | 0.671 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -144.2 | 137.7 | 170.9 | -66.3 | 82 | 0 | 0 | 0 | 107.7 | T128 D281 | T128-H130 PolarHBondContact O-N 3.19Å; T128-H130 PolarHBondContact OG1-O 2.9Å; H130-D281 WeakPolarHBondContact CA-OD2 3.4Å |
| 131 | C | 85.7 | Confident | 87.6 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 14% | 0.135 | 30% | 0.302 | C | S | . | . | trans | -71 | 128 | 175.5 | 179 | 0 | 0 | 0 | 0 | 111.5 | H133 D281 W282 | C131-H133 PolarHBondContact O-N 2.61Å; C131-H133 PolarHBondContact SG-N 3.02Å; C131-H133 VanDerWaalsContact SG-N 3.44Å; C131-H133 PolarHBondContact SG-O 3.31Å; C131-D281 WeakPolarHBondContact CB-OD2 3.46Å; C131-D281 PolarHBondContact N-OD2 3.16Å; C131-W282 HydrophobicContact CB-CZ2 4.09Å | ||
| 132 | P | 83.8 | Confident | 87.5 | Confident | 80 Ų | 80 | 52 Ų | 52 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -76.4 | -3 | 179.4 | 32.5 | -35.3 | 0 | 0 | 0 | 113.5 | H125 | H125-P132 WeakPolarHBondContact O-CD 3.2Š|
| 133 | H | 88 | Confident | 87.6 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | trans | -129.9 | 88.7 | -171.4 | -60.1 | -49.1 | 0 | 0 | 0 | 111.5 | K85 C131 R135 V136 | K85-H133 WeakPolarHBondContact CD-NE2 3.33Å; K85-H133 WeakPolarHBondContact CE-CD2 3.4Å; K85-H133 WeakPolarHBondContact CE-NE2 3.47Å; K85-H133 HydrophobicContact CG-CB 4.16Å; K85-H133 PolarHBondContact NZ-CD2 3.48Å; K85-H133 PolarHBondContact NZ-NE2 3.25Å; C131-H133 PolarHBondContact O-N 2.61Å; C131-H133 PolarHBondContact SG-N 3.02Å; C131-H133 VanDerWaalsContact SG-N 3.44Å; C131-H133 PolarHBondContact SG-O 3.31Å; H133-R135 PolarHBondContact O-N 3.32Å; H133-V136 HydrophobicContact CB-CB 4.44Å; H133-V136 HydrophobicContact CB-CG2 3.56Å; H133-V136 PolarHBondContact O-N 3.4Å | ||
| 134 | P | 85.9 | Confident | 87.7 | Confident | 108 Ų | 108 | 44.8 Ų | 44.8 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.3 | -171.6 | 26.2 | -35.9 | 0 | 0 | 0 | 114.8 | P138 | P134-P138 WeakPolarHBondContact O-CD 3.07Š|
| 135 | R | 89.8 | Confident | 87.8 | Confident | 112 Ų | 112 | 46 Ų | 46 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -19.3 | 176.2 | -60.9 | -53.1 | -169.4 | 113.6 | -2 | 114.3 | L84 M88 H133 L137 P138 N139 | L84-R135 CarbonylContact O-C 3.51Å; M88-R135 PolarHBondContact O-NH1 2.67Å; M88-R135 VanDerWaalsContact O-NH1 3.11Å; H133-R135 PolarHBondContact O-N 3.32Å; R135-L137 PolarHBondContact O-N 3.06Å; R135-P138 WeakPolarHBondContact O-CD 3.22Å; R135-N139 VanDerWaalsContact O-CB 3.24Å; R135-N139 WeakPolarHBondContact O-CB 3.3Å; R135-N139 VanDerWaalsContact O-CG 3.3Å; R135-N139 PolarHBondContact O-N 3.25Å; R135-N139 PolarHBondContact O-ND2 2.83Å |
| 136 | V | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -48.1 | -175.1 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L84 K85 M124 H133 N139 L140 W282 | L84-V136 WeakPolarHBondContact O-CA 3.48Å; L84-V136 PolarHBondContact O-N 3.38Å; K85-V136 HydrophobicContact CB-CG2 4.47Å; K85-V136 HydrophobicContact CG-CG2 3.72Å; M124-V136 HydrophobicContact CB-CG1 3.98Å; M124-V136 HydrophobicContact CB-CG2 4.4Å; M124-V136 HydrophobicContact CE-CG1 4.4Å; M124-V136 HydrophobicContact SD-CG1 4.35Å; H133-V136 HydrophobicContact CB-CB 4.44Å; H133-V136 HydrophobicContact CB-CG2 3.56Å; H133-V136 PolarHBondContact O-N 3.4Å; V136-N139 PolarHBondContact O-N 3.21Å; V136-L140 HydrophobicContact CG1-CD1 3.68Å; V136-L140 HydrophobicContact CG1-CG 4.3Å; V136-L140 WeakPolarHBondContact O-CB 3.47Å; V136-L140 WeakPolarHBondContact O-CG 3.43Å; V136-L140 PolarHBondContact O-N 3.18Å; V136-W282 HydrophobicContact CB-CZ2 4.42Å; V136-W282 HydrophobicContact CG1-CH2 4.11Å; V136-W282 HydrophobicContact CG1-CZ2 3.9Å |
| 137 | L | 93.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -55.2 | -179.7 | 173.2 | 74.8 | 0 | 0 | 0 | 112.7 | R135 N139 L140 V141 L276 W282 S285 L286 L289 | R135-L137 PolarHBondContact O-N 3.06Å; L137-N139 PolarHBondContact O-N 3.19Å; L137-L140 PolarHBondContact O-N 2.82Å; L137-V141 HydrophobicContact CD1-CG2 4.02Å; L137-V141 HydrophobicContact CG-CG2 4.42Å; L137-V141 WeakPolarHBondContact O-CG2 3.42Å; L137-V141 PolarHBondContact O-N 3.37Å; L137-L276 HydrophobicContact CD1-CB 4.2Å; L137-L276 HydrophobicContact CD1-CD1 4.05Å; L137-L276 HydrophobicContact CD1-CD2 4.02Å; L137-L276 HydrophobicContact CD1-CG 4.31Å; L137-W282 HydrophobicContact CB-CD2 4.08Å; L137-W282 HydrophobicContact CB-CG 4.06Å; L137-W282 HydrophobicContact CD1-CB 4.05Å; L137-W282 HydrophobicContact CD1-CD2 4.02Å; L137-W282 HydrophobicContact CD1-CE3 4.23Å; L137-W282 HydrophobicContact CD1-CG 3.99Å; L137-W282 HydrophobicContact CD2-CB 3.7Å; L137-W282 HydrophobicContact CD2-CG 3.77Å; L137-W282 WeakPolarHBondContact CD2-O 3.41Å; L137-W282 HydrophobicContact CG-CB 4.38Å; L137-W282 HydrophobicContact CG-CD2 4.45Å; L137-W282 HydrophobicContact CG-CG 4.15Å; L137-S285 VanDerWaalsContact CD2-CB 3.41Å; L137-L286 HydrophobicContact CD1-CB 4.36Å; L137-L286 HydrophobicContact CD1-CD1 4.29Å; L137-L286 HydrophobicContact CD2-CB 4.45Å; L137-L289 HydrophobicContact CG-CD1 4.44Å |
| 138 | P | 92.7 | Very high | 89.3 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.7 | -39.1 | 175.7 | -27.3 | 33.3 | 0 | 0 | 0 | 113.8 | P134 R135 A142 L289 | P134-P138 WeakPolarHBondContact O-CD 3.07Å; R135-P138 WeakPolarHBondContact O-CD 3.22Å; P138-A142 WeakPolarHBondContact O-CB 3.34Å; P138-A142 PolarHBondContact O-N 2.92Å; P138-L289 HydrophobicContact CB-CD1 4.3Å; P138-L289 HydrophobicContact CG-CD1 4.27Å |
| 139 | N | 93.3 | Very high | 90.2 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.6 | -43.1 | 178.9 | -76.3 | -24.1 | 0 | 0 | 0 | 111.9 | L84 N87 F90 R135 V136 L137 A142 V143 | L84-N139 HydrophobicContact CD2-CB 3.72Å; L84-N139 PolarHBondContact O-ND2 2.84Å; N87-N139 PolarHBondContact O-ND2 3.36Å; N87-N139 VanDerWaalsContact O-ND2 3.12Å; F90-N139 HydrophobicContact CD2-CB 4.42Å; F90-N139 HydrophobicContact CE2-CB 3.71Å; R135-N139 VanDerWaalsContact O-CB 3.24Å; R135-N139 WeakPolarHBondContact O-CB 3.3Å; R135-N139 VanDerWaalsContact O-CG 3.3Å; R135-N139 PolarHBondContact O-N 3.25Å; R135-N139 PolarHBondContact O-ND2 2.83Å; V136-N139 PolarHBondContact O-N 3.21Å; L137-N139 PolarHBondContact O-N 3.19Å; N139-A142 PolarHBondContact O-N 3.45Å; N139-V143 VanDerWaalsContact O-CG2 3.25Å; N139-V143 WeakPolarHBondContact O-CG2 3.27Å; N139-V143 PolarHBondContact O-N 2.86Å |
| 140 | L | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 174 | -76.5 | 173.4 | 0 | 0 | 0 | 111.9 | L84 I104 I121 M124 V136 L137 A142 V143 C144 L276 | L84-L140 HydrophobicContact CD1-CD2 3.71Å; L84-L140 HydrophobicContact CD1-CG 4.28Å; L84-L140 HydrophobicContact CD2-CD2 4.05Å; L84-L140 HydrophobicContact CD2-CG 4.2Å; I104-L140 HydrophobicContact CD1-CD2 4.37Å; I121-L140 HydrophobicContact CG1-CD1 4.31Å; I121-L140 HydrophobicContact CG2-CD1 4.33Å; M124-L140 HydrophobicContact CE-CD1 4.1Å; M124-L140 HydrophobicContact CE-CD2 4.34Å; V136-L140 HydrophobicContact CG1-CD1 3.68Å; V136-L140 HydrophobicContact CG1-CG 4.3Å; V136-L140 WeakPolarHBondContact O-CB 3.47Å; V136-L140 WeakPolarHBondContact O-CG 3.43Å; V136-L140 PolarHBondContact O-N 3.18Å; L137-L140 PolarHBondContact O-N 2.82Å; L140-A142 PolarHBondContact O-N 2.94Å; L140-V143 WeakPolarHBondContact O-CB 3.3Å; L140-V143 PolarHBondContact O-N 2.83Å; L140-C144 PolarHBondContact O-N 3.36Å; L140-C144 PolarHBondContact O-SG 3.16Å; L140-C144 VanDerWaalsContact O-SG 3.38Å; L140-L276 HydrophobicContact CB-CD1 4.19Å; L140-L276 HydrophobicContact CD1-CD2 3.94Å |
| 141 | V | 94.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | L137 V143 C144 L145 L276 L286 L289 L290 | L137-V141 HydrophobicContact CD1-CG2 4.02Å; L137-V141 HydrophobicContact CG-CG2 4.42Å; L137-V141 WeakPolarHBondContact O-CG2 3.42Å; L137-V141 PolarHBondContact O-N 3.37Å; V141-V143 VanDerWaalsContact C-N 3.27Å; V141-V143 PolarHBondContact O-N 2.81Å; V141-C144 PolarHBondContact O-N 2.78Å; V141-L145 HydrophobicContact CG1-CD1 3.86Å; V141-L145 HydrophobicContact CG1-CG 4.03Å; V141-L145 WeakPolarHBondContact O-CB 3.36Å; V141-L145 VanDerWaalsContact O-CG 3.28Å; V141-L145 WeakPolarHBondContact O-CG 3.48Å; V141-L145 PolarHBondContact O-N 3.07Å; V141-L276 HydrophobicContact CG2-CD1 4Å; V141-L286 HydrophobicContact CG2-CD1 3.39Å; V141-L289 HydrophobicContact CB-CD1 4.18Å; V141-L289 HydrophobicContact CG1-CB 4.08Å; V141-L289 HydrophobicContact CG1-CD1 4.41Å; V141-L289 HydrophobicContact CG2-CD1 4.06Å; V141-L290 HydrophobicContact CG1-CD2 4.37Å |
| 142 | A | 92.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 28% | 0.281 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.6 | -33.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F90 P138 N139 L140 A146 | F90-A142 HydrophobicContact CD2-CB 4.13Å; P138-A142 WeakPolarHBondContact O-CB 3.34Å; P138-A142 PolarHBondContact O-N 2.92Å; N139-A142 PolarHBondContact O-N 3.45Å; L140-A142 PolarHBondContact O-N 2.94Å; A142-A146 WeakPolarHBondContact O-CB 3.46Å; A142-A146 PolarHBondContact O-N 3.3Å |
| 143 | V | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.4 | -49 | 173.3 | 164.4 | 0 | 0 | 0 | 0 | 110.9 | F90 R97 T100 Q101 I104 N139 L140 V141 A147 Y269 | F90-V143 HydrophobicContact CD2-CG2 4.44Å; F90-V143 HydrophobicContact CE2-CG2 3.69Å; F90-V143 HydrophobicContact CZ-CG2 3.95Å; R97-V143 HydrophobicContact CG-CG2 3.95Å; T100-V143 HydrophobicContact CG2-CG1 4.16Å; T100-V143 HydrophobicContact CG2-CG2 3.71Å; Q101-V143 HydrophobicContact CG-CG1 3.7Å; Q101-V143 PolarHBondContact NE2-O 2.9Å; I104-V143 HydrophobicContact CD1-CG1 3.94Å; N139-V143 VanDerWaalsContact O-CG2 3.25Å; N139-V143 WeakPolarHBondContact O-CG2 3.27Å; N139-V143 PolarHBondContact O-N 2.86Å; L140-V143 WeakPolarHBondContact O-CB 3.3Å; L140-V143 PolarHBondContact O-N 2.83Å; V141-V143 VanDerWaalsContact C-N 3.27Å; V141-V143 PolarHBondContact O-N 2.81Å; V143-A147 WeakPolarHBondContact O-CB 3.44Å; V143-A147 PolarHBondContact O-N 3.24Å; V143-A147 VanDerWaalsContact O-N 3.08Å; V143-Y269 HydrophobicContact CG1-CE1 3.81Å |
| 144 | C | 95.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -53.5 | 175.6 | -72.1 | 0 | 0 | 0 | 0 | 112 | L140 V141 A146 A147 I148 Y269 I272 L273 | L140-C144 PolarHBondContact O-N 3.36Å; L140-C144 PolarHBondContact O-SG 3.16Å; L140-C144 VanDerWaalsContact O-SG 3.38Å; V141-C144 PolarHBondContact O-N 2.78Å; C144-A146 PolarHBondContact O-N 2.84Å; C144-A147 PolarHBondContact O-N 2.87Å; C144-A147 VanDerWaalsContact O-N 3.16Å; C144-I148 WeakPolarHBondContact O-CB 3.48Å; C144-I148 WeakPolarHBondContact O-CD1 3.37Å; C144-I148 VanDerWaalsContact O-CG1 3.26Å; C144-I148 WeakPolarHBondContact O-CG1 3.21Å; C144-I148 PolarHBondContact O-N 2.92Å; C144-Y269 HydrophobicContact CB-CD1 4.27Å; C144-I272 WeakPolarHBondContact SG-CG2 3.44Å; C144-L273 HydrophobicContact CB-CD1 4.5Å; C144-L273 HydrophobicContact CB-CD2 3.9Å; C144-L273 HydrophobicContact CB-CG 4.08Å |
| 145 | L | 93.2 | Very high | 90.9 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | -178.1 | -68.8 | 179.4 | 0 | 0 | 0 | 111.1 | V141 A147 I148 Y149 L290 P294 F295 | V141-L145 HydrophobicContact CG1-CD1 3.86Å; V141-L145 HydrophobicContact CG1-CG 4.03Å; V141-L145 WeakPolarHBondContact O-CB 3.36Å; V141-L145 VanDerWaalsContact O-CG 3.28Å; V141-L145 WeakPolarHBondContact O-CG 3.48Å; V141-L145 PolarHBondContact O-N 3.07Å; L145-A147 VanDerWaalsContact C-N 3.3Å; L145-A147 PolarHBondContact O-N 2.71Å; L145-I148 PolarHBondContact O-N 2.91Å; L145-Y149 WeakPolarHBondContact O-CB 3.43Å; L145-Y149 VanDerWaalsContact O-CD2 3.31Å; L145-Y149 WeakPolarHBondContact O-CD2 3.3Å; L145-Y149 PolarHBondContact O-N 2.72Å; L145-L290 HydrophobicContact CD2-CD2 4.07Å; L145-P294 HydrophobicContact CD1-CB 4.04Å; L145-P294 HydrophobicContact CD1-CG 4.05Å; L145-P294 HydrophobicContact CD2-CB 4.18Å; L145-P294 HydrophobicContact CD2-CG 3.63Å; L145-F295 HydrophobicContact CD2-CD1 4.09Å; L145-F295 HydrophobicContact CD2-CE1 3.38Å; L145-F295 HydrophobicContact CD2-CE2 4.45Å; L145-F295 HydrophobicContact CD2-CZ 3.6Å |
| 146 | A | 91.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 15% | 0.149 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -33 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R97 A142 C144 S150 | R97-A146 VanDerWaalsContact CZ-CB 3.49Å; A142-A146 WeakPolarHBondContact O-CB 3.46Å; A142-A146 PolarHBondContact O-N 3.3Å; C144-A146 PolarHBondContact O-N 2.84Å; A146-S150 PolarHBondContact O-N 3.39Å; A146-S150 VanDerWaalsContact O-N 3.13Å |
| 147 | A | 92 | Very high | 89.7 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.1 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q101 V143 C144 L145 Y149 S150 C151 T265 Y269 | Q101-A147 HydrophobicContact CG-CB 4.4Å; V143-A147 WeakPolarHBondContact O-CB 3.44Å; V143-A147 PolarHBondContact O-N 3.24Å; V143-A147 VanDerWaalsContact O-N 3.08Å; C144-A147 PolarHBondContact O-N 2.87Å; C144-A147 VanDerWaalsContact O-N 3.16Å; L145-A147 VanDerWaalsContact C-N 3.3Å; L145-A147 PolarHBondContact O-N 2.71Å; A147-Y149 PolarHBondContact O-N 2.69Å; A147-S150 PolarHBondContact O-N 3.45Å; A147-S150 VanDerWaalsContact O-N 3.16Å; A147-S150 PolarHBondContact O-OG 2.8Å; A147-C151 PolarHBondContact O-N 2.81Å; A147-C151 PolarHBondContact O-SG 2.86Å; A147-T265 HydrophobicContact CB-CG2 4.49Å; A147-Y269 HydrophobicContact CB-CD1 4.14Å; A147-Y269 HydrophobicContact CB-CD2 3.24Å; A147-Y269 HydrophobicContact CB-CE1 4.23Å; A147-Y269 HydrophobicContact CB-CE2 3.36Å; A147-Y269 HydrophobicContact CB-CG 3.68Å |
| 148 | I | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 174.2 | -66.1 | 163 | 0 | 0 | 0 | 110 | C144 L145 S150 C151 Y152 L266 V270 L273 F295 F305 | C144-I148 WeakPolarHBondContact O-CB 3.48Å; C144-I148 WeakPolarHBondContact O-CD1 3.37Å; C144-I148 VanDerWaalsContact O-CG1 3.26Å; C144-I148 WeakPolarHBondContact O-CG1 3.21Å; C144-I148 PolarHBondContact O-N 2.92Å; L145-I148 PolarHBondContact O-N 2.91Å; I148-S150 VanDerWaalsContact C-N 3.33Å; I148-S150 PolarHBondContact O-N 3.08Å; I148-C151 WeakPolarHBondContact O-CB 3.19Å; I148-C151 PolarHBondContact O-N 3.38Å; I148-C151 VanDerWaalsContact O-N 3.17Å; I148-Y152 HydrophobicContact CG2-CE2 4.31Å; I148-Y152 VanDerWaalsContact O-CD2 3.28Å; I148-Y152 WeakPolarHBondContact O-CD2 3.44Å; I148-L266 HydrophobicContact CG1-CD1 4.22Å; I148-L266 HydrophobicContact CG2-CD1 4.01Å; I148-V270 HydrophobicContact CD1-CG2 4.18Å; I148-L273 HydrophobicContact CD1-CD1 3.68Å; I148-F295 HydrophobicContact CD1-CE1 3.9Å; I148-F295 HydrophobicContact CG2-CD1 3.96Å; I148-F295 HydrophobicContact CG2-CE1 4.14Å; I148-F305 HydrophobicContact CD1-CE2 4.26Å; I148-F305 HydrophobicContact CG2-CD2 4.45Å; I148-F305 HydrophobicContact CG2-CE2 3.8Å; I148-F305 HydrophobicContact CG2-CZ 4.25Å |
| 149 | Y | 91.9 | Very high | 87.2 | Confident | 97 Ų | 97 | 42.7 Ų | 42.7 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.7 | -44.6 | 173.6 | -95.1 | -73.7 | 0 | 0 | 0 | 112.8 | L145 A147 C151 Y152 E153 I156 P294 P296 | L145-Y149 WeakPolarHBondContact O-CB 3.43Å; L145-Y149 VanDerWaalsContact O-CD2 3.31Å; L145-Y149 WeakPolarHBondContact O-CD2 3.3Å; L145-Y149 PolarHBondContact O-N 2.72Å; A147-Y149 PolarHBondContact O-N 2.69Å; Y149-C151 PolarHBondContact O-N 2.8Å; Y149-Y152 PolarHBondContact O-N 2.9Å; Y149-Y152 VanDerWaalsContact O-N 3.07Å; Y149-E153 PolarHBondContact O-N 3.35Å; Y149-I156 HydrophobicContact CD1-CD1 4.34Å; Y149-P294 WeakPolarHBondContact CE2-O 3.01Å; Y149-P294 PolarHBondContact OH-O 2.72Å; Y149-P296 HydrophobicContact CD1-CB 4.15Å; Y149-P296 HydrophobicContact CD1-CG 3.89Å; Y149-P296 HydrophobicContact CE1-CB 3.8Å; Y149-P296 HydrophobicContact CE1-CG 3.89Å |
| 150 | S | 89.9 | Confident | 85.4 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.3 | -29.6 | 179.9 | 72 | 0 | 0 | 0 | 0 | 113.4 | A146 A147 I148 Y152 E153 | A146-S150 PolarHBondContact O-N 3.39Å; A146-S150 VanDerWaalsContact O-N 3.13Å; A147-S150 PolarHBondContact O-N 3.45Å; A147-S150 VanDerWaalsContact O-N 3.16Å; A147-S150 PolarHBondContact O-OG 2.8Å; I148-S150 VanDerWaalsContact C-N 3.33Å; I148-S150 PolarHBondContact O-N 3.08Å; S150-Y152 PolarHBondContact O-N 2.73Å; S150-E153 PolarHBondContact O-N 3Å |
| 151 | C | 90.7 | Very high | 83.2 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 8% | 0.081 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -23.2 | 176 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | A147 I148 Y149 L258 A262 | A147-C151 PolarHBondContact O-N 2.81Å; A147-C151 PolarHBondContact O-SG 2.86Å; I148-C151 WeakPolarHBondContact O-CB 3.19Å; I148-C151 PolarHBondContact O-N 3.38Å; I148-C151 VanDerWaalsContact O-N 3.17Å; Y149-C151 PolarHBondContact O-N 2.8Å; C151-L258 WeakPolarHBondContact O-CD2 3.5Å; C151-A262 HydrophobicContact CB-CB 4.23Å; C151-A262 PolarHBondContact SG-O 3.27Å |
| 152 | Y | 89.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 2.7 | -179.7 | -63.1 | -80.8 | 0 | 0 | 0 | 113.4 | I148 Y149 S150 E154 F155 I156 I256 L258 L266 P296 E298 A299 H302 | I148-Y152 HydrophobicContact CG2-CE2 4.31Å; I148-Y152 VanDerWaalsContact O-CD2 3.28Å; I148-Y152 WeakPolarHBondContact O-CD2 3.44Å; Y149-Y152 PolarHBondContact O-N 2.9Å; Y149-Y152 VanDerWaalsContact O-N 3.07Å; S150-Y152 PolarHBondContact O-N 2.73Å; Y152-E154 VanDerWaalsContact C-N 3.26Å; Y152-E154 PolarHBondContact O-N 3.43Å; Y152-F155 PolarHBondContact O-N 2.9Å; Y152-I156 VanDerWaalsContact O-CG1 3.31Å; Y152-I156 WeakPolarHBondContact O-CG1 3.35Å; Y152-I156 PolarHBondContact O-N 3.02Å; Y152-I256 HydrophobicContact CD1-CG2 4.41Å; Y152-I256 HydrophobicContact CE1-CG2 4.13Å; Y152-L258 HydrophobicContact CD1-CD2 4.07Å; Y152-L258 HydrophobicContact CE1-CD1 4.17Å; Y152-L258 HydrophobicContact CE1-CD2 3.89Å; Y152-L258 HydrophobicContact CE1-CG 4.37Å; Y152-L266 HydrophobicContact CE2-CD1 3.96Å; Y152-L266 WeakPolarHBondContact OH-CD2 3.27Å; Y152-P296 HydrophobicContact CD2-CG 4.2Å; Y152-P296 HydrophobicContact CG-CG 4.37Å; Y152-E298 HydrophobicContact CD1-CB 3.91Å; Y152-E298 HydrophobicContact CG-CB 4.3Å; Y152-A299 HydrophobicContact CD2-CB 3.79Å; Y152-A299 HydrophobicContact CE1-CB 4.41Å; Y152-A299 HydrophobicContact CE2-CB 3.46Å; Y152-A299 VanDerWaalsContact CE2-CB 3.46Å; Y152-A299 HydrophobicContact CG-CB 4.41Å; Y152-H302 HydrophobicContact CE1-CB 4.08Å; Y152-H302 WeakPolarHBondContact OH-CB 3.33Å; Y152-H302 PolarHBondContact OH-ND1 3.21Å |
| 153 | E | 86.2 | Confident | 78 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.3 | -37.2 | -173.3 | -177.8 | 169.1 | 178.7 | 0 | 0 | 112.6 | Y149 S150 N157 | Y149-E153 PolarHBondContact O-N 3.35Å; S150-E153 PolarHBondContact O-N 3Å; E153-N157 VanDerWaalsContact CG-ND2 3.3Å; E153-N157 WeakPolarHBondContact CG-ND2 3.26Å; E153-N157 VanDerWaalsContact O-CB 3.28Å; E153-N157 WeakPolarHBondContact O-CB 3.23Å; E153-N157 VanDerWaalsContact O-CG 3.24Å; E153-N157 PolarHBondContact O-N 2.96Å; E153-N157 PolarHBondContact O-ND2 3.4Å |
| 154 | E | 78.9 | Confident | 75.5 | Confident | 161 Ų | 161 | 63.2 Ų | 63.2 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.8 | -37.6 | 176 | -61.8 | -175.3 | 167.4 | 0 | 0 | 113.1 | Y152 S158 | Y152-E154 VanDerWaalsContact C-N 3.26Å; Y152-E154 PolarHBondContact O-N 3.43Å; E154-S158 WeakPolarHBondContact O-CB 3.27Å; E154-S158 PolarHBondContact O-N 3.07Å; E154-S158 VanDerWaalsContact O-N 3.07Å; E154-S158 PolarHBondContact O-OG 2.8Å |
| 155 | F | 80.1 | Confident | 73 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 26% | 0.263 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -73 | -36.7 | 177.8 | -66.5 | -84.9 | 0 | 0 | 0 | 112.1 | Y152 S158 R159 I256 E257 L258 E298 | Y152-F155 PolarHBondContact O-N 2.9Å; F155-S158 WeakPolarHBondContact CA-OG 3.41Å; F155-S158 PolarHBondContact O-OG 3.4Å; F155-S158 VanDerWaalsContact O-OG 3.12Å; F155-R159 PolarHBondContact O-N 2.67Å; F155-I256 HydrophobicContact CD1-CG2 4.21Å; F155-I256 HydrophobicContact CD2-CG2 4.32Å; F155-I256 HydrophobicContact CE1-CG2 4.01Å; F155-I256 HydrophobicContact CE2-CG2 4.13Å; F155-I256 HydrophobicContact CG-CG2 4.37Å; F155-I256 HydrophobicContact CZ-CG2 3.97Å; F155-E257 WeakPolarHBondContact CZ-O 3.45Å; F155-L258 HydrophobicContact CD2-CD2 4.29Å; F155-L258 HydrophobicContact CE2-CD2 3.78Å; F155-E298 HydrophobicContact CB-CB 4.43Å; F155-E298 HydrophobicContact CB-CG 3.96Å |
| 156 | I | 80.4 | Confident | 70.4 | Confident | 25 Ų | 25 | 72 Ų | 72 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.1 | -51.7 | 174.7 | -60.6 | 162.4 | 0 | 0 | 0 | 109.4 | Y149 Y152 S158 R159 D160 L165 P296 E298 | Y149-I156 HydrophobicContact CD1-CD1 4.34Å; Y152-I156 VanDerWaalsContact O-CG1 3.31Å; Y152-I156 WeakPolarHBondContact O-CG1 3.35Å; Y152-I156 PolarHBondContact O-N 3.02Å; I156-S158 VanDerWaalsContact C-N 3.26Å; I156-S158 PolarHBondContact O-N 3.03Å; I156-R159 PolarHBondContact O-N 2.91Å; I156-D160 PolarHBondContact O-N 3.19Å; I156-L165 HydrophobicContact CG2-CD1 3.49Å; I156-L165 VanDerWaalsContact CG2-CD1 3.49Å; I156-P296 HydrophobicContact CD1-CB 3.71Å; I156-P296 HydrophobicContact CD1-CG 4.18Å; I156-P296 HydrophobicContact CG1-CB 4.21Å; I156-E298 HydrophobicContact CG1-CG 4.23Å |
| 157 | N | 77.9 | Confident | 68.1 | Low | 65 Ų | 65 | 77.9 Ų | 77.9 | 35% | 0.348 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.8 | -22 | -179.1 | -73.7 | -40.1 | 0 | 0 | 0 | 114.2 | E153 L165 | E153-N157 VanDerWaalsContact CG-ND2 3.3Å; E153-N157 WeakPolarHBondContact CG-ND2 3.26Å; E153-N157 VanDerWaalsContact O-CB 3.28Å; E153-N157 WeakPolarHBondContact O-CB 3.23Å; E153-N157 VanDerWaalsContact O-CG 3.24Å; E153-N157 PolarHBondContact O-N 2.96Å; E153-N157 PolarHBondContact O-ND2 3.4Å; N157-L165 WeakPolarHBondContact OD1-CD1 3.47Å |
| 158 | S | 70.8 | Confident | 65.7 | Low | 80 Ų | 80 | 84.5 Ų | 84.5 | 56% | 0.559 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -86.1 | -22.8 | 177.2 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | E154 F155 I156 | E154-S158 WeakPolarHBondContact O-CB 3.27Å; E154-S158 PolarHBondContact O-N 3.07Å; E154-S158 VanDerWaalsContact O-N 3.07Å; E154-S158 PolarHBondContact O-OG 2.8Å; F155-S158 WeakPolarHBondContact CA-OG 3.41Å; F155-S158 PolarHBondContact O-OG 3.4Å; F155-S158 VanDerWaalsContact O-OG 3.12Å; I156-S158 VanDerWaalsContact C-N 3.26Å; I156-S158 PolarHBondContact O-N 3.03Å |
| 159 | R | 63.3 | Low | 63.2 | Low | 147 Ų | 147 | 94.3 Ų | 94.3 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -76.9 | -46.1 | 166.5 | -73.1 | 178.6 | 72.2 | 164.6 | 13.2 | 111.5 | F155 I156 N161 E298 | F155-R159 PolarHBondContact O-N 2.67Å; I156-R159 PolarHBondContact O-N 2.91Å; R159-N161 PolarHBondContact O-N 2.89Å; R159-E298 VanDerWaalsContact CD-OE1 3.25Å; R159-E298 WeakPolarHBondContact CD-OE1 3.46Å; R159-E298 IonicContact CZ-OE1 3.56Å; R159-E298 IonicContact NE-OE1 3.73Å; R159-E298 IonicContact NH1-OE1 2.68Å; R159-E298 PolarHBondContact NH1-OE1 3.49Å |
| 160 | D | 55.5 | Low | 60.7 | Low | 88 Ų | 88 | 95 Ų | 95 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | trans | -88.4 | 85 | -177.5 | -72.5 | -21.5 | 0 | 0 | 0 | 110.7 | I156 S162 | I156-D160 PolarHBondContact O-N 3.19Å; D160-S162 PolarHBondContact O-N 3.38Å | ||
| 161 | N | 47.5 | Very low | 58 | Low | 163 Ų | 163 | 95.1 Ų | 95.1 | 87% | 0.872 | 49% | 0.494 | S | S | * | . | trans | -68.5 | 53.4 | 166.2 | -97.2 | -34.1 | 0 | 0 | 0 | 111.7 | R159 | R159-N161 PolarHBondContact O-N 2.89Š| ||
| 162 | S | 41 | Very low | 55.2 | Low | 65 Ų | 65 | 99.8 Ų | 99.8 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -143.8 | 134.4 | -178.6 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | D160 S164 | D160-S162 PolarHBondContact O-N 3.38Å; S162-S164 PolarHBondContact O-N 2.84Å; S162-S164 PolarHBondContact OG-OG 2.96Å |
| 163 | P | 36.8 | Very low | 52.5 | Low | 106 Ų | 106 | 108.1 Ų | 108.1 | 69% | 0.688 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 5.9 | -171.2 | 29.7 | -36.2 | 0 | 0 | 0 | 115.2 | L165 K166 | P163-L165 PolarHBondContact O-N 3.46Å; P163-K166 WeakPolarHBondContact O-CB 3.45Å; P163-K166 PolarHBondContact O-N 3.44Å |
| 164 | S | 40.8 | Very low | 49.7 | Very low | 57 Ų | 57 | 112.1 Ų | 112.1 | 40% | 0.399 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | -16.5 | -167.5 | 40.1 | 0 | 0 | 0 | 0 | 116 | S162 K166 E167 | S162-S164 PolarHBondContact O-N 2.84Å; S162-S164 PolarHBondContact OG-OG 2.96Å; S164-K166 VanDerWaalsContact C-N 3.3Å; S164-K166 PolarHBondContact O-N 3.48Å; S164-E167 WeakPolarHBondContact O-CB 3.42Å; S164-E167 PolarHBondContact O-N 3.06Å; S164-E167 VanDerWaalsContact O-N 3.11Å |
| 165 | L | 41.5 | Very low | 47.2 | Very low | 56 Ų | 56 | 110 Ų | 110 | 29% | 0.293 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74 | -19.8 | 172.6 | -88.9 | 153.6 | 0 | 0 | 0 | 113.3 | I156 N157 P163 E167 I168 R169 | I156-L165 HydrophobicContact CG2-CD1 3.49Å; I156-L165 VanDerWaalsContact CG2-CD1 3.49Å; N157-L165 WeakPolarHBondContact OD1-CD1 3.47Å; P163-L165 PolarHBondContact O-N 3.46Å; L165-E167 PolarHBondContact O-N 3.09Å; L165-I168 HydrophobicContact CD2-CD1 3.81Å; L165-I168 PolarHBondContact O-N 3.04Å; L165-R169 PolarHBondContact O-N 3.24Å |
| 166 | K | 39.3 | Very low | 44.5 | Very low | 157 Ų | 157 | 112.7 Ų | 112.7 | 68% | 0.683 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -21.9 | 166.6 | -68.9 | -178.6 | 177.9 | 175.7 | 0 | 112.4 | P163 S164 R169 N170 | P163-K166 WeakPolarHBondContact O-CB 3.45Å; P163-K166 PolarHBondContact O-N 3.44Å; S164-K166 VanDerWaalsContact C-N 3.3Å; S164-K166 PolarHBondContact O-N 3.48Å; K166-R169 WeakPolarHBondContact O-CB 3.49Å; K166-R169 PolarHBondContact O-N 2.91Å; K166-N170 PolarHBondContact O-N 3.3Å |
| 167 | E | 42.4 | Very low | 41.8 | Very low | 141 Ų | 141 | 119.5 Ų | 119.5 | 66% | 0.659 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.6 | -27.2 | 175.2 | -60.8 | -172.4 | 152.5 | 0 | 0 | 112.3 | S164 L165 R169 N170 G171 | S164-E167 WeakPolarHBondContact O-CB 3.42Å; S164-E167 PolarHBondContact O-N 3.06Å; S164-E167 VanDerWaalsContact O-N 3.11Å; L165-E167 PolarHBondContact O-N 3.09Å; E167-R169 PolarHBondContact O-N 2.63Å; E167-N170 CarbonylContact O-C 3.59Å; E167-N170 PolarHBondContact O-N 3.38Å; E167-G171 WeakPolarHBondContact O-CA 3.45Å; E167-G171 PolarHBondContact O-N 3.04Å |
| 168 | I | 43.4 | Very low | 39.6 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 72% | 0.718 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.5 | -28.1 | 167.6 | -68.5 | 169 | 0 | 0 | 0 | 110.7 | L165 | L165-I168 HydrophobicContact CD2-CD1 3.81Å; L165-I168 PolarHBondContact O-N 3.04Å |
| 169 | R | 39.4 | Very low | 37.3 | Very low | 207 Ų | 207 | 133.1 Ų | 133.1 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74.1 | -23.7 | 172.7 | -165.8 | 170.8 | 180 | 161.4 | -0.7 | 114.1 | L165 K166 E167 | L165-R169 PolarHBondContact O-N 3.24Å; K166-R169 WeakPolarHBondContact O-CB 3.49Å; K166-R169 PolarHBondContact O-N 2.91Å; E167-R169 PolarHBondContact O-N 2.63Å |
| 170 | N | 39 | Very low | 35.5 | Very low | 110 Ų | 110 | 132 Ų | 132 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -117.1 | -3.3 | -177.8 | -73.5 | -8.6 | 0 | 0 | 0 | 114.6 | K166 E167 C172 Q173 | K166-N170 PolarHBondContact O-N 3.3Å; E167-N170 CarbonylContact O-C 3.59Å; E167-N170 PolarHBondContact O-N 3.38Å; N170-C172 PolarHBondContact O-N 3.29Å; N170-Q173 PolarHBondContact O-N 3.03Å |
| 171 | G | 33 | Very low | 34.1 | Very low | 62 Ų | 62 | 133.9 Ų | 133.9 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 38.7 | -170 | 0 | 0 | 0 | 0 | 0 | 115.9 | E167 | E167-G171 WeakPolarHBondContact O-CA 3.45Å; E167-G171 PolarHBondContact O-N 3.04Å |
| 172 | C | 32.5 | Very low | 33 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | 22.7 | 162.6 | -87.6 | 0 | 0 | 0 | 0 | 111.9 | N170 | N170-C172 PolarHBondContact O-N 3.29Š|
| 173 | Q | 33.5 | Very low | 32.3 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -114 | 77.7 | 169.9 | -71.8 | -173.1 | -15.4 | 0 | 0 | 111.5 | N170 | N170-Q173 PolarHBondContact O-N 3.03Š| ||
| 174 | Q | 27.6 | Very low | 31.9 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | trans | -131.7 | 136 | 145.2 | -82.1 | -167.1 | -8.9 | 0 | 0 | 108.9 | ||||
| 175 | P | 26.1 | Very low | 31.1 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -71.1 | 131.3 | -178.9 | 28.8 | -33.4 | 0 | 0 | 0 | 110.8 | D177 | P175-D177 PolarHBondContact O-N 3.03Š| ||
| 176 | C | 23.6 | Very low | 30.3 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | -72.4 | 94.3 | 164.6 | -72.7 | 0 | 0 | 0 | 0 | 109.9 | R178 | C176-R178 PolarHBondContact O-N 3.39Š| ||
| 177 | D | 23.9 | Very low | 29.5 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -65.3 | 96.9 | 162.5 | -94.5 | -36.8 | 0 | 0 | 0 | 109.8 | P175 | P175-D177 PolarHBondContact O-N 3.03Š| ||
| 178 | R | 30.2 | Very low | 28.4 | Very low | 227 Ų | 227 | 154.6 Ų | 154.6 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -113.8 | 111.3 | 169.7 | -86.2 | -171.5 | 172.5 | -172.6 | -0.5 | 110.3 | C176 | C176-R178 PolarHBondContact O-N 3.39Š| ||
| 179 | K | 23.4 | Very low | 27.7 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -152 | 149.5 | 146.8 | -73.5 | -163.9 | -179.3 | 174 | 0 | 110.4 | ||||
| 180 | P | 25.9 | Very low | 26.9 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | cis | -128.9 | -175.1 | -32.9 | 36.9 | -20.1 | 0 | 0 | 0 | 112 | ||||
| 181 | T | 24.7 | Very low | 26.6 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -98 | 158.6 | -171.6 | 37.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 182 | L | 24.1 | Very low | 26 | Very low | 147 Ų | 147 | 151.7 Ų | 151.7 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 78.7 | 157.3 | 156.7 | -70.8 | 159.5 | 0 | 0 | 0 | 118.1 | ||||
| 183 | P | 28.2 | Very low | 25.7 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | cis | -130.2 | 175.7 | 16.1 | 40.7 | -23.6 | 0 | 0 | 0 | 118.6 | ||||
| 184 | L | 27.7 | Very low | 25.2 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -51.6 | 148.6 | 176.4 | -67.2 | 140.7 | 0 | 0 | 0 | 116.2 | ||||
| 185 | R | 23.7 | Very low | 25 | Very low | 248 Ų | 248 | 148.4 Ų | 148.4 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -156 | 144.9 | 141 | -116.9 | 172.6 | -175.4 | 164.4 | 2 | 112.9 | ||||
| 186 | L | 24.7 | Very low | 24.9 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -86.4 | 151.4 | -179.2 | -63 | 121.7 | 0 | 0 | 0 | 112.1 | ||||
| 187 | L | 21.9 | Very low | 24.8 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | 164.1 | 154 | 119.2 | -85.3 | 162.3 | 0 | 0 | 0 | 113.3 | |||||
| 188 | H | 21.1 | Very low | 24.8 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | trans | -82.1 | -168.7 | 178.1 | -67.2 | -98 | 0 | 0 | 0 | 112.3 | ||||
| 189 | P | 28.2 | Very low | 24.3 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | -136.1 | 149.3 | -55.4 | 35 | -18.3 | 0 | 0 | 0 | 115.9 | |||||
| 190 | S | 21.1 | Very low | 24.3 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 58.7 | 175.2 | 151 | 68.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 191 | P | 33 | Very low | 24.1 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | cis | -130.5 | -174.7 | -9.4 | 42.7 | -25.8 | 0 | 0 | 0 | 115.6 | ||||
| 192 | D | 21.2 | Very low | 24 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | 56.6 | 126.7 | 152.9 | -57.2 | -25 | 0 | 0 | 0 | 124.3 | ||||
| 193 | L | 25.9 | Very low | 23.9 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | -170.1 | 163.6 | 110.6 | -101.9 | 164.9 | 0 | 0 | 0 | 113.2 | |||||
| 194 | V | 22.5 | Very low | 23.7 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -121.6 | 161 | -160 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 195 | S | 24.1 | Very low | 23.5 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 77.5 | 159 | 165.3 | -5.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 196 | Q | 24 | Very low | 23.4 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | cis | -155.3 | 169.8 | 16.7 | -145.9 | 160.4 | 10.4 | 0 | 0 | 112.8 | ||||
| 197 | E | 21 | Very low | 23.1 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -75 | 161.7 | 177.8 | -57.5 | 164.4 | 116.1 | 0 | 0 | 114 | ||||
| 198 | A | 23.6 | Very low | 23.1 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -149 | 137.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 199 | T | 20.5 | Very low | 23.1 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -122.2 | 175.6 | -174.8 | 44.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 200 | L | 23.4 | Very low | 22.9 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | 93.9 | 87.5 | 162.3 | -56.3 | 173.8 | 0 | 0 | 0 | 120.6 | ||||
| 201 | S | 21.3 | Very low | 22.9 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | 53.7 | 135.2 | 107.8 | 66.1 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 202 | E | 23.1 | Very low | 22.5 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 77.2 | 122.5 | 147.6 | -72.3 | -167.9 | 152.4 | 0 | 0 | 122.9 | ||||
| 203 | A | 22.2 | Very low | 22.7 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | 178.5 | 128 | 99.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 204 | R | 23.1 | Very low | 22.5 | Very low | 245 Ų | 245 | 141.8 Ų | 141.8 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | 78.7 | 137.6 | 140.7 | -71.4 | -178.5 | 175.1 | -173.1 | -1.5 | 124.8 | ||||
| 205 | L | 23 | Very low | 22.5 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -87.5 | 169 | 176.1 | -57.5 | 89.7 | 0 | 0 | 0 | 114.1 | ||||
| 206 | K | 22.2 | Very low | 22.4 | Very low | 212 Ų | 212 | 144.4 Ų | 144.4 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | -156.1 | 150.2 | 127.4 | -109.9 | 172.7 | -174.3 | -177.2 | 0 | 112.3 | |||||
| 207 | S | 19.8 | Very low | 22.2 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -102.5 | 165.1 | -178.9 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 208 | V | 21.5 | Very low | 22.2 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -135.7 | 139.8 | 163.8 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 209 | V | 21.5 | Very low | 22.1 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -115.5 | 137.5 | 178.1 | 172 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 210 | V | 23.5 | Very low | 22.2 | Very low | 140 Ų | 140 | 145 Ų | 145 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -139.4 | 144.1 | 159 | -176 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 211 | A | 21.7 | Very low | 22.1 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -99.4 | 175.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 212 | S | 24 | Very low | 22.1 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -68.5 | 159.7 | -172.2 | -39.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 213 | S | 24.2 | Very low | 22 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -148.5 | 159.8 | 158.2 | -71.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 214 | E | 22.3 | Very low | 22 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -130.3 | 177.5 | -164.3 | -44.2 | -175.3 | 70 | 0 | 0 | 111 | ||||
| 215 | I | 22.8 | Very low | 22 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 60% | 0.6 | 81% | 0.808 | S | S | * | * | cis | -162.7 | 165.5 | 10.5 | -149.5 | 176.5 | 0 | 0 | 0 | 110.8 | ||||
| 216 | H | 21.2 | Very low | 21.9 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 72 | 155.3 | 155.2 | -76.5 | 9.7 | 0 | 0 | 0 | 120.6 | ||||
| 217 | V | 20.7 | Very low | 22.4 | Very low | 109 Ų | 109 | 140 Ų | 140 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | cis | -160.3 | 172.8 | -13.9 | 121.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 218 | E | 20.5 | Very low | 22.5 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 109.8 | 113.2 | 150.7 | -117.4 | 154.1 | -127.3 | 0 | 0 | 118.6 | ||||
| 219 | V | 22.5 | Very low | 22.6 | Very low | 136 Ų | 136 | 141 Ų | 141 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -132.7 | 109.5 | 169.7 | 172.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 220 | E | 21 | Very low | 22.6 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -71.9 | 139.6 | 175.4 | -77.2 | -167.1 | 124.5 | 0 | 0 | 111.8 | ||||
| 221 | R | 22.2 | Very low | 22.6 | Very low | 239 Ų | 239 | 139.7 Ų | 139.7 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -103.7 | 131.6 | 167.2 | -66.9 | 173.4 | 173.6 | 163 | -2.8 | 108.5 | ||||
| 222 | T | 21.5 | Very low | 22.7 | Very low | 145 Ų | 145 | 141 Ų | 141 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -130 | 142.7 | 153 | 47.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 223 | S | 21.1 | Very low | 22.9 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -141.6 | 138.3 | -170.2 | 58.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 224 | T | 22 | Very low | 23 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -140.4 | 160.3 | 161.3 | 40.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 225 | A | 22.1 | Very low | 23.1 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -117.3 | 152.5 | -144 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 226 | K | 22.6 | Very low | 23.4 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 19.4 | 154.8 | 131.9 | -81.5 | -175.2 | 179.2 | -177.4 | 0 | 120.2 | ||||
| 227 | P | 31.7 | Very low | 23.9 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | cis | -137.7 | 143.5 | 40.9 | 33.1 | -11.6 | 0 | 0 | 0 | 116.4 | ||||
| 228 | A | 21.6 | Very low | 24.6 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 83% | 0.829 | S | S | * | * | 88.2 | 125.7 | 71.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 229 | L | 24.2 | Very low | 25.3 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -159.4 | 155.8 | 149 | -107.3 | 165.3 | 0 | 0 | 0 | 109.2 | ||||
| 230 | T | 21.7 | Very low | 26.3 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -114.9 | 140.4 | -158.1 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 231 | A | 23.9 | Very low | 27.7 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -147.1 | 151.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 232 | S | 23.8 | Very low | 29.2 | Very low | 120 Ų | 120 | 122 Ų | 122 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -60.2 | 151.6 | -166.4 | 46.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 233 | A | 28.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -69.5 | 150.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 234 | G | 24.5 | Very low | 31.9 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 176.7 | 119.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 235 | N | 26.1 | Very low | 33.1 | Very low | 152 Ų | 152 | 112.2 Ų | 112.2 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | trans | 61.2 | 105.8 | 178.3 | -68.5 | 3 | 0 | 0 | 0 | 117.9 | S237 | N235-S237 PolarHBondContact O-N 2.85Š| ||
| 236 | D | 28.8 | Very low | 34.1 | Very low | 174 Ų | 174 | 112.2 Ų | 112.2 | 93% | 0.93 | 68% | 0.677 | S | S | * | * | trans | -62.1 | 115 | 146.1 | -71 | -51.3 | 0 | 0 | 0 | 108.6 | ||||
| 237 | S | 31.8 | Very low | 35.1 | Very low | 93 Ų | 93 | 108 Ų | 108 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | trans | -141.2 | 127.2 | 161.7 | -63.4 | 0 | 0 | 0 | 0 | 105.2 | N235 | N235-S237 PolarHBondContact O-N 2.85Š| ||
| 238 | E | 34.3 | Very low | 35.3 | Very low | 184 Ų | 184 | 105.7 Ų | 105.7 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 138.1 | 170.9 | -68.4 | -179.8 | 128.1 | 0 | 0 | 108.3 | N240 | E238-N240 PolarHBondContact O-N 3.35Š|
| 239 | P | 35.2 | Very low | 35.9 | Very low | 92 Ų | 92 | 106.2 Ų | 106.2 | 60% | 0.597 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -58 | 126.9 | -179.4 | 25.1 | -33.7 | 0 | 0 | 0 | 108.4 | L241 | P239-L241 PolarHBondContact O-N 3.01Š|
| 240 | N | 43.5 | Very low | 36.3 | Very low | 110 Ų | 110 | 102.5 Ų | 102.5 | 59% | 0.588 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 143.1 | -179.7 | -96.9 | -43.5 | 0 | 0 | 0 | 108.4 | E238 I242 D243 C244 | E238-N240 PolarHBondContact O-N 3.35Å; N240-I242 PolarHBondContact O-N 3.46Å; N240-D243 WeakPolarHBondContact CB-OD2 3.27Å; N240-D243 PolarHBondContact N-OD2 3.43Å; N240-D243 WeakPolarHBondContact O-CA 3.35Å; N240-D243 WeakPolarHBondContact O-CB 3.49Å; N240-D243 PolarHBondContact O-N 3.41Å; N240-C244 PolarHBondContact O-N 3.15Å; N240-C244 VanDerWaalsContact O-N 3.12Å |
| 241 | L | 50.5 | Low | 37 | Very low | 96 Ų | 96 | 99.8 Ų | 99.8 | 50% | 0.503 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.9 | -25.3 | 179.7 | -170.3 | 64.1 | 0 | 0 | 0 | 111.8 | P239 C244 L245 | P239-L241 PolarHBondContact O-N 3.01Å; L241-C244 HydrophobicContact CD1-CB 4.37Å; L241-C244 PolarHBondContact O-N 3Å; L241-L245 HydrophobicContact CG-CD1 4.34Å; L241-L245 HydrophobicContact CG-CG 4.49Å; L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 WeakPolarHBondContact O-CG 3.35Å; L241-L245 PolarHBondContact O-N 3.41Å |
| 242 | I | 53.8 | Low | 37.5 | Very low | 50 Ų | 50 | 100.5 Ų | 100.5 | 26% | 0.256 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -59.4 | -49.3 | 169.8 | -62.4 | 174.3 | 0 | 0 | 0 | 111.3 | N240 C244 L245 M246 L390 | N240-I242 PolarHBondContact O-N 3.46Å; I242-C244 VanDerWaalsContact C-N 3.31Å; I242-C244 PolarHBondContact O-N 3.34Å; I242-L245 PolarHBondContact O-N 3.11Å; I242-M246 VanDerWaalsContact O-CG 3.26Å; I242-M246 WeakPolarHBondContact O-CG 3.35Å; I242-M246 PolarHBondContact O-N 2.73Å; I242-L390 HydrophobicContact CG2-CD1 4Å; I242-L390 HydrophobicContact CG2-CD2 4.36Å |
| 243 | D | 47.1 | Very low | 38.5 | Very low | 95 Ų | 95 | 99.6 Ų | 99.6 | 51% | 0.508 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63 | -40 | 176.8 | -58.3 | -45.6 | 0 | 0 | 0 | 110.8 | N240 M246 V247 | N240-D243 WeakPolarHBondContact CB-OD2 3.27Å; N240-D243 PolarHBondContact N-OD2 3.43Å; N240-D243 WeakPolarHBondContact O-CA 3.35Å; N240-D243 WeakPolarHBondContact O-CB 3.49Å; N240-D243 PolarHBondContact O-N 3.41Å; D243-M246 PolarHBondContact O-N 2.79Å; D243-V247 PolarHBondContact O-N 3.11Å |
| 244 | C | 52.7 | Low | 39.7 | Very low | 65 Ų | 65 | 100.7 Ų | 100.7 | 44% | 0.439 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.6 | -33.5 | 175.9 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | N240 L241 I242 | N240-C244 PolarHBondContact O-N 3.15Å; N240-C244 VanDerWaalsContact O-N 3.12Å; L241-C244 HydrophobicContact CD1-CB 4.37Å; L241-C244 PolarHBondContact O-N 3Å; I242-C244 VanDerWaalsContact C-N 3.31Å; I242-C244 PolarHBondContact O-N 3.34Å |
| 245 | L | 46.3 | Very low | 41.4 | Very low | 41 Ų | 41 | 102.3 Ų | 102.3 | 22% | 0.215 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -75.3 | -32.2 | 176.3 | -76.1 | 167.7 | 0 | 0 | 0 | 112.2 | L241 I242 V247 L387 | L241-L245 HydrophobicContact CG-CD1 4.34Å; L241-L245 HydrophobicContact CG-CG 4.49Å; L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 WeakPolarHBondContact O-CG 3.35Å; L241-L245 PolarHBondContact O-N 3.41Å; I242-L245 PolarHBondContact O-N 3.11Å; L245-V247 VanDerWaalsContact C-N 3.3Å; L245-V247 PolarHBondContact O-N 2.75Å; L245-L387 HydrophobicContact CB-CD1 4.47Å; L245-L387 VanDerWaalsContact O-CD1 3.23Å; L245-L387 WeakPolarHBondContact O-CD1 3.47Å |
| 246 | M | 44.8 | Very low | 43.8 | Very low | 92 Ų | 92 | 96 Ų | 96 | 45% | 0.453 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76.5 | -15.1 | 179.8 | -68.7 | -65.9 | -76 | 0 | 0 | 113.4 | I242 D243 S248 L387 L390 | I242-M246 VanDerWaalsContact O-CG 3.26Å; I242-M246 WeakPolarHBondContact O-CG 3.35Å; I242-M246 PolarHBondContact O-N 2.73Å; D243-M246 PolarHBondContact O-N 2.79Å; M246-S248 PolarHBondContact O-N 3.13Å; M246-L387 HydrophobicContact SD-CD1 3.72Å; M246-L390 HydrophobicContact SD-CB 4.38Å |
| 247 | V | 43.2 | Very low | 46.4 | Very low | 103 Ų | 103 | 95.6 Ų | 95.6 | 62% | 0.624 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -81.3 | 102.1 | 168.9 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | D243 L245 | D243-V247 PolarHBondContact O-N 3.11Å; L245-V247 VanDerWaalsContact C-N 3.3Å; L245-V247 PolarHBondContact O-N 2.75Å |
| 248 | S | 36.5 | Very low | 48.9 | Very low | 71 Ų | 71 | 92.4 Ų | 92.4 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | trans | -54.2 | 125.4 | 170.7 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | M246 A250 | M246-S248 PolarHBondContact O-N 3.13Å; S248-A250 PolarHBondContact O-N 3.49Å; S248-A250 VanDerWaalsContact O-N 3.12Å | ||
| 249 | P | 34 | Very low | 51.4 | Low | 98 Ų | 98 | 85.6 Ų | 85.6 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | trans | -64.3 | 119.6 | 176 | 26 | -32.5 | 0 | 0 | 0 | 108.4 | C251 | P249-C251 VanDerWaalsContact C-N 3.29Å; P249-C251 PolarHBondContact O-N 2.88Å | ||
| 250 | A | 31.2 | Very low | 53.8 | Low | 99 Ų | 99 | 86.2 Ų | 86.2 | 82% | 0.818 | 52% | 0.524 | S | S | * | . | trans | -63.3 | 93.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | S248 S252 | S248-A250 PolarHBondContact O-N 3.49Å; S248-A250 VanDerWaalsContact O-N 3.12Å; A250-S252 PolarHBondContact O-N 3.28Å | ||
| 251 | C | 37 | Very low | 55.9 | Low | 79 Ų | 79 | 85.7 Ų | 85.7 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | trans | -63.3 | 123.8 | 176.8 | -165.4 | 0 | 0 | 0 | 0 | 107.6 | P249 T253 | P249-C251 VanDerWaalsContact C-N 3.29Å; P249-C251 PolarHBondContact O-N 2.88Å; C251-T253 HydrophobicContact CB-CG2 4.46Å; C251-T253 PolarHBondContact O-N 3.15Å | ||
| 252 | S | 35.1 | Very low | 57.7 | Low | 118 Ų | 118 | 82.3 Ų | 82.3 | 83% | 0.825 | 50% | 0.504 | S | S | * | . | trans | -68.4 | 75.7 | 174 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | A250 M254 | A250-S252 PolarHBondContact O-N 3.28Å; S252-M254 PolarHBondContact O-N 3.39Å | ||
| 253 | T | 44 | Very low | 59.4 | Low | 102 Ų | 102 | 82.2 Ų | 82.2 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | trans | -65.2 | 121.5 | -179.5 | 41.2 | 0 | 0 | 0 | 0 | 109.1 | C251 S255 | C251-T253 HydrophobicContact CB-CG2 4.46Å; C251-T253 PolarHBondContact O-N 3.15Å; T253-S255 PolarHBondContact O-N 3.36Å; T253-S255 VanDerWaalsContact O-N 3.16Å | ||
| 254 | M | 52.6 | Low | 61.4 | Low | 130 Ų | 130 | 85.3 Ų | 85.3 | 64% | 0.64 | 51% | 0.509 | S | S | * | . | trans | -66 | 114.1 | 162.8 | -67.7 | -173.7 | 69.9 | 0 | 0 | 106.7 | S252 I256 | S252-M254 PolarHBondContact O-N 3.39Å; M254-I256 VanDerWaalsContact C-N 3.26Å; M254-I256 HydrophobicContact CB-CG1 4.37Å; M254-I256 PolarHBondContact O-N 2.81Å | ||
| 255 | S | 61.2 | Low | 63.3 | Low | 104 Ų | 104 | 82.9 Ų | 82.9 | 73% | 0.727 | 49% | 0.492 | S | S | * | . | trans | -70.2 | 83.7 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | T253 E257 | T253-S255 PolarHBondContact O-N 3.36Å; T253-S255 VanDerWaalsContact O-N 3.16Å; S255-E257 PolarHBondContact O-N 2.75Å | ||
| 256 | I | 77.5 | Confident | 65.6 | Low | 20 Ų | 20 | 81.1 Ų | 81.1 | 10% | 0.103 | 48% | 0.483 | C | S | . | . | trans | -77.5 | 100.5 | 176.6 | -62.4 | 168.4 | 0 | 0 | 0 | 108 | Y152 F155 M254 L258 E298 A301 H302 | Y152-I256 HydrophobicContact CD1-CG2 4.41Å; Y152-I256 HydrophobicContact CE1-CG2 4.13Å; F155-I256 HydrophobicContact CD1-CG2 4.21Å; F155-I256 HydrophobicContact CD2-CG2 4.32Å; F155-I256 HydrophobicContact CE1-CG2 4.01Å; F155-I256 HydrophobicContact CE2-CG2 4.13Å; F155-I256 HydrophobicContact CG-CG2 4.37Å; F155-I256 HydrophobicContact CZ-CG2 3.97Å; M254-I256 VanDerWaalsContact C-N 3.26Å; M254-I256 HydrophobicContact CB-CG1 4.37Å; M254-I256 PolarHBondContact O-N 2.81Å; I256-L258 HydrophobicContact CG2-CD2 4.26Å; I256-E298 HydrophobicContact CD1-CB 4.25Å; I256-E298 WeakPolarHBondContact CD1-O 3.47Å; I256-A301 HydrophobicContact CD1-CB 4.16Å; I256-H302 PolarHBondContact O-CD2 3.44Å | ||
| 257 | E | 81.4 | Confident | 67.9 | Low | 165 Ų | 165 | 78.2 Ų | 78.2 | 77% | 0.771 | 48% | 0.476 | S | S | * | . | trans | -92.2 | 111.8 | 173 | -67.2 | -173.2 | 176.8 | 0 | 0 | 110.1 | F155 S255 | F155-E257 WeakPolarHBondContact CZ-O 3.45Å; S255-E257 PolarHBondContact O-N 2.75Å | ||
| 258 | L | 85.3 | Confident | 70.4 | Confident | 26 Ų | 26 | 73.4 Ų | 73.4 | 14% | 0.136 | 45% | 0.448 | C | S | . | . | trans | -79.6 | 140.4 | 175.2 | -66 | -179.8 | 0 | 0 | 0 | 111.3 | C151 Y152 F155 I256 A262 D263 L266 | C151-L258 WeakPolarHBondContact O-CD2 3.5Å; Y152-L258 HydrophobicContact CD1-CD2 4.07Å; Y152-L258 HydrophobicContact CE1-CD1 4.17Å; Y152-L258 HydrophobicContact CE1-CD2 3.89Å; Y152-L258 HydrophobicContact CE1-CG 4.37Å; F155-L258 HydrophobicContact CD2-CD2 4.29Å; F155-L258 HydrophobicContact CE2-CD2 3.78Å; I256-L258 HydrophobicContact CG2-CD2 4.26Å; L258-A262 HydrophobicContact CB-CB 4.3Å; L258-D263 HydrophobicContact CB-CB 4.33Å; L258-L266 HydrophobicContact CD1-CB 4.49Å; L258-L266 HydrophobicContact CD1-CD2 3.61Å | ||
| 259 | G | 86.4 | Confident | 73.2 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | trans | -59.6 | 152.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q261 A262 D263 | G259-Q261 PolarHBondContact O-N 3.33Å; G259-A262 WeakPolarHBondContact O-CA 3.15Å; G259-A262 WeakPolarHBondContact O-CB 3.38Å; G259-A262 PolarHBondContact O-N 2.66Å; G259-D263 PolarHBondContact O-N 3.22Å | ||
| 260 | P | 86.6 | Confident | 76.2 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 69% | 0.688 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.1 | -27.4 | -167.9 | 22.6 | -34.3 | 0 | 0 | 0 | 114.5 | R264 | P260-R264 VanDerWaalsContact O-CG 3.27Å; P260-R264 WeakPolarHBondContact O-CG 3.45Å; P260-R264 PolarHBondContact O-N 3.09Å |
| 261 | Q | 86.6 | Confident | 79.3 | Confident | 98 Ų | 98 | 63.4 Ų | 63.4 | 46% | 0.458 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76.6 | -38.6 | 174.5 | -169.9 | 63.1 | 13.8 | 0 | 0 | 112.3 | G259 T265 | G259-Q261 PolarHBondContact O-N 3.33Å; Q261-T265 WeakPolarHBondContact O-CB 3.49Å; Q261-T265 PolarHBondContact O-N 3.29Å; Q261-T265 PolarHBondContact O-OG1 3.35Å |
| 262 | A | 87.9 | Confident | 82.1 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C151 L258 G259 T265 L266 | C151-A262 HydrophobicContact CB-CB 4.23Å; C151-A262 PolarHBondContact SG-O 3.27Å; L258-A262 HydrophobicContact CB-CB 4.3Å; G259-A262 WeakPolarHBondContact O-CA 3.15Å; G259-A262 WeakPolarHBondContact O-CB 3.38Å; G259-A262 PolarHBondContact O-N 2.66Å; A262-T265 PolarHBondContact O-N 3.13Å; A262-L266 VanDerWaalsContact O-CB 3.31Å; A262-L266 WeakPolarHBondContact O-CB 3.44Å; A262-L266 PolarHBondContact O-N 3.43Å |
| 263 | D | 89.6 | Confident | 85.1 | Confident | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 176.1 | -173.3 | 64 | 0 | 0 | 0 | 113 | L258 G259 T265 L266 G267 K304 | L258-D263 HydrophobicContact CB-CB 4.33Å; G259-D263 PolarHBondContact O-N 3.22Å; D263-T265 VanDerWaalsContact C-N 3.35Å; D263-L266 PolarHBondContact O-N 2.93Å; D263-G267 PolarHBondContact O-N 2.87Å; D263-K304 IonicContact OD1-NZ 3.6Å; D263-K304 PolarHBondContact OD1-NZ 3.2Å; D263-K304 IonicContact OD2-NZ 3.45Å; D263-K304 PolarHBondContact OD2-NZ 3.24Å |
| 264 | R | 90.1 | Very high | 87.6 | Confident | 160 Ų | 160 | 50.6 Ų | 50.6 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.7 | -42.2 | 172.6 | -74.1 | 172.6 | -175.7 | -174.8 | 2.2 | 112.4 | P260 G267 C268 | P260-R264 VanDerWaalsContact O-CG 3.27Å; P260-R264 WeakPolarHBondContact O-CG 3.45Å; P260-R264 PolarHBondContact O-N 3.09Å; R264-G267 PolarHBondContact O-N 2.75Å; R264-C268 PolarHBondContact O-N 3.36Å; R264-C268 VanDerWaalsContact O-N 3.08Å |
| 265 | T | 92.4 | Very high | 89.7 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 178 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | L105 A147 Q261 A262 D263 G267 C268 Y269 | L105-T265 HydrophobicContact CD1-CG2 4.21Å; L105-T265 HydrophobicContact CD2-CG2 4.26Å; A147-T265 HydrophobicContact CB-CG2 4.49Å; Q261-T265 WeakPolarHBondContact O-CB 3.49Å; Q261-T265 PolarHBondContact O-N 3.29Å; Q261-T265 PolarHBondContact O-OG1 3.35Å; A262-T265 PolarHBondContact O-N 3.13Å; D263-T265 VanDerWaalsContact C-N 3.35Å; T265-G267 PolarHBondContact O-N 3.41Å; T265-C268 PolarHBondContact O-N 3.02Å; T265-Y269 HydrophobicContact CG2-CD2 3.87Å; T265-Y269 HydrophobicContact CG2-CE2 3.93Å; T265-Y269 VanDerWaalsContact O-CD2 3.23Å; T265-Y269 WeakPolarHBondContact O-CD2 3.47Å; T265-Y269 PolarHBondContact O-N 2.77Å; T265-Y269 VanDerWaalsContact O-N 3.12Å |
| 266 | L | 94.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.9 | -51.8 | 175.9 | -174.7 | 71.1 | 0 | 0 | 0 | 111.5 | I148 Y152 L258 A262 D263 C268 Y269 V270 F305 | I148-L266 HydrophobicContact CG1-CD1 4.22Å; I148-L266 HydrophobicContact CG2-CD1 4.01Å; Y152-L266 HydrophobicContact CE2-CD1 3.96Å; Y152-L266 WeakPolarHBondContact OH-CD2 3.27Å; L258-L266 HydrophobicContact CD1-CB 4.49Å; L258-L266 HydrophobicContact CD1-CD2 3.61Å; A262-L266 VanDerWaalsContact O-CB 3.31Å; A262-L266 WeakPolarHBondContact O-CB 3.44Å; A262-L266 PolarHBondContact O-N 3.43Å; D263-L266 PolarHBondContact O-N 2.93Å; L266-C268 VanDerWaalsContact C-N 3.33Å; L266-C268 PolarHBondContact O-N 3.16Å; L266-Y269 PolarHBondContact O-N 2.92Å; L266-V270 HydrophobicContact CD1-CG2 4.09Å; L266-V270 HydrophobicContact CG-CG2 4.26Å; L266-V270 VanDerWaalsContact O-CG2 3.31Å; L266-V270 WeakPolarHBondContact O-CG2 3.43Å; L266-V270 PolarHBondContact O-N 3.34Å; L266-F305 HydrophobicContact CD1-CD2 3.78Å; L266-F305 HydrophobicContact CD1-CE2 4.35Å; L266-F305 HydrophobicContact CD2-CB 4.36Å; L266-F305 HydrophobicContact CG-CD2 4.49Å |
| 267 | G | 93.3 | Very high | 92.2 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.1 | -44 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D263 R264 T265 E271 | D263-G267 PolarHBondContact O-N 2.87Å; R264-G267 PolarHBondContact O-N 2.75Å; T265-G267 PolarHBondContact O-N 3.41Å; G267-E271 VanDerWaalsContact O-CB 3.25Å; G267-E271 WeakPolarHBondContact O-CB 3.44Å; G267-E271 PolarHBondContact O-N 3.42Å; G267-E271 VanDerWaalsContact O-N 3.08Å |
| 268 | C | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 176.7 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | L105 R264 T265 L266 E271 I272 | L105-C268 HydrophobicContact CD2-CB 4.22Å; R264-C268 PolarHBondContact O-N 3.36Å; R264-C268 VanDerWaalsContact O-N 3.08Å; T265-C268 PolarHBondContact O-N 3.02Å; L266-C268 VanDerWaalsContact C-N 3.33Å; L266-C268 PolarHBondContact O-N 3.16Å; C268-E271 PolarHBondContact O-N 3.07Å; C268-I272 WeakPolarHBondContact O-CG1 3.33Å; C268-I272 PolarHBondContact O-N 3.2Å |
| 269 | Y | 96.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -75.6 | -28.7 | -174.9 | -74.2 | -68.6 | 0 | 0 | 0 | 114.6 | Q101 I104 L105 V143 C144 A147 T265 L266 I272 L273 | Q101-Y269 VanDerWaalsContact C-OH 3.3Å; Q101-Y269 WeakPolarHBondContact CA-OH 3.5Å; Q101-Y269 PolarHBondContact O-OH 3.42Å; I104-Y269 HydrophobicContact CB-CE1 4.42Å; I104-Y269 HydrophobicContact CD1-CE1 4.4Å; I104-Y269 HydrophobicContact CG2-CE1 3.87Å; L105-Y269 HydrophobicContact CD1-CE2 4.38Å; L105-Y269 HydrophobicContact CD2-CE2 3.81Å; L105-Y269 HydrophobicContact CG-CE2 4Å; V143-Y269 HydrophobicContact CG1-CE1 3.81Å; C144-Y269 HydrophobicContact CB-CD1 4.27Å; A147-Y269 HydrophobicContact CB-CD1 4.14Å; A147-Y269 HydrophobicContact CB-CD2 3.24Å; A147-Y269 HydrophobicContact CB-CE1 4.23Å; A147-Y269 HydrophobicContact CB-CE2 3.36Å; A147-Y269 HydrophobicContact CB-CG 3.68Å; T265-Y269 HydrophobicContact CG2-CD2 3.87Å; T265-Y269 HydrophobicContact CG2-CE2 3.93Å; T265-Y269 VanDerWaalsContact O-CD2 3.23Å; T265-Y269 WeakPolarHBondContact O-CD2 3.47Å; T265-Y269 PolarHBondContact O-N 2.77Å; T265-Y269 VanDerWaalsContact O-N 3.12Å; L266-Y269 PolarHBondContact O-N 2.92Å; Y269-I272 HydrophobicContact CD1-CD1 3.85Å; Y269-I272 HydrophobicContact CE1-CD1 4.05Å; Y269-L273 WeakPolarHBondContact O-CG 3.18Å; Y269-L273 PolarHBondContact O-N 2.96Å; Y269-L273 VanDerWaalsContact O-N 3.14Å |
| 270 | V | 95.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.1 | -40.2 | 172.4 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | I148 L266 I272 L273 K274 F305 E308 | I148-V270 HydrophobicContact CD1-CG2 4.18Å; L266-V270 HydrophobicContact CD1-CG2 4.09Å; L266-V270 HydrophobicContact CG-CG2 4.26Å; L266-V270 VanDerWaalsContact O-CG2 3.31Å; L266-V270 WeakPolarHBondContact O-CG2 3.43Å; L266-V270 PolarHBondContact O-N 3.34Å; V270-I272 VanDerWaalsContact C-N 3.26Å; V270-I272 PolarHBondContact O-N 2.89Å; V270-L273 WeakPolarHBondContact O-CA 3.36Å; V270-L273 WeakPolarHBondContact O-CB 3.26Å; V270-L273 PolarHBondContact O-N 3.37Å; V270-K274 PolarHBondContact O-N 2.89Å; V270-F305 HydrophobicContact CG2-CD2 3.71Å; V270-F305 HydrophobicContact CG2-CE2 3.72Å; V270-E308 HydrophobicContact CG1-CB 3.57Å |
| 271 | E | 96.4 | Very high | 93.8 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 25% | 0.248 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -31.2 | 174.3 | -172.8 | 65.8 | -172.3 | 0 | 0 | 111.9 | M114 K118 G267 C268 K274 L275 | M114-E271 HydrophobicContact CE-CB 3.82Å; M114-E271 HydrophobicContact CE-CG 3.59Å; M114-E271 HydrophobicContact CG-CG 3.82Å; M114-E271 HydrophobicContact SD-CB 4.29Å; M114-E271 HydrophobicContact SD-CG 4.09Å; K118-E271 IonicContact NZ-OE1 2.79Å; G267-E271 VanDerWaalsContact O-CB 3.25Å; G267-E271 WeakPolarHBondContact O-CB 3.44Å; G267-E271 PolarHBondContact O-N 3.42Å; G267-E271 VanDerWaalsContact O-N 3.08Å; C268-E271 PolarHBondContact O-N 3.07Å; E271-K274 PolarHBondContact O-N 3.36Å; E271-K274 WeakPolarHBondContact OE2-CD 3.3Å; E271-K274 WeakPolarHBondContact OE2-CE 3.33Å; E271-K274 IonicContact OE2-NZ 3.75Å; E271-K274 PolarHBondContact OE2-NZ 3.17Å; E271-L275 PolarHBondContact O-N 3.35Å |
| 272 | I | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 167.3 | -68.4 | 168.9 | 0 | 0 | 0 | 110.7 | I104 M114 V117 I121 C144 C268 Y269 V270 K274 L275 L276 | I104-I272 HydrophobicContact CG2-CD1 3.61Å; M114-I272 HydrophobicContact CE-CG1 3.63Å; V117-I272 HydrophobicContact CG1-CD1 3.82Å; V117-I272 HydrophobicContact CG1-CG1 3.91Å; I121-I272 HydrophobicContact CD1-CB 4.35Å; I121-I272 HydrophobicContact CD1-CD1 4.43Å; I121-I272 HydrophobicContact CD1-CG1 3.91Å; I121-I272 HydrophobicContact CD1-CG2 3.75Å; C144-I272 WeakPolarHBondContact SG-CG2 3.44Å; C268-I272 WeakPolarHBondContact O-CG1 3.33Å; C268-I272 PolarHBondContact O-N 3.2Å; Y269-I272 HydrophobicContact CD1-CD1 3.85Å; Y269-I272 HydrophobicContact CE1-CD1 4.05Å; V270-I272 VanDerWaalsContact C-N 3.26Å; V270-I272 PolarHBondContact O-N 2.89Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 3.49Å; I272-L275 PolarHBondContact O-N 2.78Å; I272-L275 VanDerWaalsContact O-N 3.16Å; I272-L276 HydrophobicContact CG2-CD1 4.05Å; I272-L276 HydrophobicContact CG2-CG 4.16Å; I272-L276 VanDerWaalsContact O-CG 3.3Å; I272-L276 WeakPolarHBondContact O-CG 3.35Å; I272-L276 PolarHBondContact O-N 3.49Å |
| 273 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.7 | -37.9 | 178.2 | -69.5 | 174.2 | 0 | 0 | 0 | 112.3 | C144 I148 Y269 V270 L276 S277 L286 F295 V312 | C144-L273 HydrophobicContact CB-CD1 4.5Å; C144-L273 HydrophobicContact CB-CD2 3.9Å; C144-L273 HydrophobicContact CB-CG 4.08Å; I148-L273 HydrophobicContact CD1-CD1 3.68Å; Y269-L273 WeakPolarHBondContact O-CG 3.18Å; Y269-L273 PolarHBondContact O-N 2.96Å; Y269-L273 VanDerWaalsContact O-N 3.14Å; V270-L273 WeakPolarHBondContact O-CA 3.36Å; V270-L273 WeakPolarHBondContact O-CB 3.26Å; V270-L273 PolarHBondContact O-N 3.37Å; L273-L276 HydrophobicContact CD2-CD1 4.39Å; L273-L276 PolarHBondContact O-N 3.33Å; L273-S277 PolarHBondContact O-N 3.27Å; L273-S277 VanDerWaalsContact O-N 3.13Å; L273-L286 HydrophobicContact CD2-CD1 4.38Å; L273-F295 HydrophobicContact CD1-CE1 4.49Å; L273-F295 HydrophobicContact CD1-CZ 4.1Å; L273-V312 HydrophobicContact CB-CG2 4.16Å |
| 274 | K | 96.8 | Very high | 94.8 | Very high | 30 Ų | 30 | 28.1 Ų | 28.1 | 13% | 0.13 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -53 | 171.5 | -62.6 | -171.2 | -154.5 | 151.3 | 0 | 111.4 | V270 E271 I272 L276 S277 D278 E308 Y311 V312 | V270-K274 PolarHBondContact O-N 2.89Å; E271-K274 PolarHBondContact O-N 3.36Å; E271-K274 WeakPolarHBondContact OE2-CD 3.3Å; E271-K274 WeakPolarHBondContact OE2-CE 3.33Å; E271-K274 IonicContact OE2-NZ 3.75Å; E271-K274 PolarHBondContact OE2-NZ 3.17Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 3.49Å; K274-L276 VanDerWaalsContact C-N 3.25Å; K274-L276 PolarHBondContact O-N 3.18Å; K274-S277 WeakPolarHBondContact O-CA 3.12Å; K274-S277 WeakPolarHBondContact O-CB 3.37Å; K274-S277 PolarHBondContact O-N 3.34Å; K274-S277 PolarHBondContact O-OG 3.27Å; K274-D278 PolarHBondContact O-N 3.05Å; K274-E308 VanDerWaalsContact CE-O 3.28Å; K274-E308 WeakPolarHBondContact CE-O 3.44Å; K274-E308 WeakPolarHBondContact CE-OE2 3.41Å; K274-E308 IonicContact NZ-OE2 3.56Å; K274-E308 PolarHBondContact NZ-OE2 2.79Å; K274-Y311 HydrophobicContact CB-CD1 3.77Å; K274-Y311 HydrophobicContact CB-CE1 4.17Å; K274-Y311 HydrophobicContact CD-CD1 3.9Å; K274-Y311 HydrophobicContact CD-CG 4.05Å; K274-Y311 HydrophobicContact CG-CD1 3.76Å; K274-Y311 HydrophobicContact CG-CG 4.27Å; K274-V312 HydrophobicContact CG-CG2 4.2Å |
| 275 | L | 95.8 | Very high | 95 | Very high | 18 Ų | 18 | 23.6 Ų | 23.6 | 9% | 0.094 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.6 | -39.1 | 178.3 | 179.5 | 69.1 | 0 | 0 | 0 | 112.1 | K118 I121 E271 I272 S277 D278 Y279 | K118-L275 HydrophobicContact CB-CD2 4.03Å; K118-L275 HydrophobicContact CD-CD1 4.44Å; K118-L275 HydrophobicContact CG-CD2 4.01Å; I121-L275 HydrophobicContact CB-CD2 3.88Å; I121-L275 HydrophobicContact CD1-CD2 3.81Å; I121-L275 HydrophobicContact CG1-CD2 4.44Å; I121-L275 HydrophobicContact CG2-CD2 3.88Å; E271-L275 PolarHBondContact O-N 3.35Å; I272-L275 PolarHBondContact O-N 2.78Å; I272-L275 VanDerWaalsContact O-N 3.16Å; L275-S277 VanDerWaalsContact C-N 3.28Å; L275-S277 PolarHBondContact O-N 2.9Å; L275-D278 PolarHBondContact O-N 3.34Å; L275-Y279 HydrophobicContact CD1-CE2 4.28Å; L275-Y279 HydrophobicContact CG-CE2 4.14Å; L275-Y279 WeakPolarHBondContact O-CD2 3.25Å; L275-Y279 WeakPolarHBondContact O-CE2 3.04Å |
| 276 | L | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65 | -31.4 | 175.6 | -65.6 | 177.4 | 0 | 0 | 0 | 112.5 | I121 L137 L140 V141 I272 L273 K274 D278 W282 L286 | I121-L276 HydrophobicContact CG2-CD2 4.27Å; L137-L276 HydrophobicContact CD1-CB 4.2Å; L137-L276 HydrophobicContact CD1-CD1 4.05Å; L137-L276 HydrophobicContact CD1-CD2 4.02Å; L137-L276 HydrophobicContact CD1-CG 4.31Å; L140-L276 HydrophobicContact CB-CD1 4.19Å; L140-L276 HydrophobicContact CD1-CD2 3.94Å; V141-L276 HydrophobicContact CG2-CD1 4Å; I272-L276 HydrophobicContact CG2-CD1 4.05Å; I272-L276 HydrophobicContact CG2-CG 4.16Å; I272-L276 VanDerWaalsContact O-CG 3.3Å; I272-L276 WeakPolarHBondContact O-CG 3.35Å; I272-L276 PolarHBondContact O-N 3.49Å; L273-L276 HydrophobicContact CD2-CD1 4.39Å; L273-L276 PolarHBondContact O-N 3.33Å; K274-L276 VanDerWaalsContact C-N 3.25Å; K274-L276 PolarHBondContact O-N 3.18Å; L276-D278 VanDerWaalsContact C-N 3.34Å; L276-W282 HydrophobicContact CD2-CE3 3.53Å; L276-W282 HydrophobicContact CD2-CH2 4.2Å; L276-W282 HydrophobicContact CD2-CZ3 3.32Å; L276-L286 HydrophobicContact CB-CD1 4.42Å; L276-L286 HydrophobicContact CB-CD2 3.88Å; L276-L286 HydrophobicContact CD1-CD1 4.49Å |
| 277 | S | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77 | -17.2 | 179.8 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | L273 K274 L275 R283 | L273-S277 PolarHBondContact O-N 3.27Å; L273-S277 VanDerWaalsContact O-N 3.13Å; K274-S277 WeakPolarHBondContact O-CA 3.12Å; K274-S277 WeakPolarHBondContact O-CB 3.37Å; K274-S277 PolarHBondContact O-N 3.34Å; K274-S277 PolarHBondContact O-OG 3.27Å; L275-S277 VanDerWaalsContact C-N 3.28Å; L275-S277 PolarHBondContact O-N 2.9Å; S277-R283 PolarHBondContact O-NE 3.45Å; S277-R283 PolarHBondContact O-NH2 3.38Å |
| 278 | D | 94.6 | Very high | 95.2 | Very high | 60 Ų | 60 | 24.7 Ų | 24.7 | 32% | 0.321 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -76.1 | -28 | 177.1 | -71.6 | -37.1 | 0 | 0 | 0 | 113.4 | K274 L275 L276 D280 R283 Y311 R315 | K274-D278 PolarHBondContact O-N 3.05Å; L275-D278 PolarHBondContact O-N 3.34Å; L276-D278 VanDerWaalsContact C-N 3.34Å; D278-D280 PolarHBondContact O-N 3.39Å; D278-R283 PolarHBondContact O-NH2 3.15Å; D278-R283 VanDerWaalsContact O-NH2 3.15Å; D278-Y311 PolarHBondContact OD1-OH 2.87Å; D278-R315 IonicContact OD1-CZ 3.96Å; D278-R315 IonicContact OD1-NE 2.75Å; D278-R315 PolarHBondContact OD1-NE 3.06Å; D278-R315 VanDerWaalsContact OD1-NE 3.07Å; D278-R315 IonicContact OD1-NH2 2.66Å |
| 279 | Y | 93.7 | Very high | 95.1 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 15% | 0.153 | 15% | 0.152 | C | C | . | . | trans | -72.6 | 118.4 | 176.1 | -65.9 | -86.5 | 0 | 0 | 0 | 111.4 | I121 Q122 H125 L275 D281 W282 R283 | I121-Y279 HydrophobicContact CG2-CE2 4.48Å; Q122-Y279 WeakPolarHBondContact CG-OH 3.21Å; H125-Y279 HydrophobicContact CB-CE1 3.93Å; H125-Y279 AromaticContact CD2-CD1 3.27Å; H125-Y279 WeakPolarHBondContact CD2-CD1 3.5Å; H125-Y279 AromaticContact CD2-CE1 3.53Å; H125-Y279 AromaticContact CD2-CG 3.85Å; H125-Y279 AromaticContact CE1-CD1 3.7Å; H125-Y279 AromaticContact CE1-CE1 3.99Å; H125-Y279 AromaticContact CG-CD1 3.67Å; H125-Y279 AromaticContact CG-CE1 3.42Å; H125-Y279 VanDerWaalsContact CG-CE1 3.42Å; H125-Y279 AromaticContact ND1-CD1 3.9Å; H125-Y279 AromaticContact ND1-CE1 3.71Å; H125-Y279 AromaticContact NE2-CD1 3.33Å; H125-Y279 VanDerWaalsContact NE2-CD1 3.33Å; H125-Y279 WeakPolarHBondContact NE2-CD1 3.42Å; H125-Y279 AromaticContact NE2-CE1 3.92Å; L275-Y279 HydrophobicContact CD1-CE2 4.28Å; L275-Y279 HydrophobicContact CG-CE2 4.14Å; L275-Y279 WeakPolarHBondContact O-CD2 3.25Å; L275-Y279 WeakPolarHBondContact O-CE2 3.04Å; Y279-D281 PolarHBondContact O-N 3.21Å; Y279-W282 HydrophobicContact CD2-CD2 4.47Å; Y279-W282 AromaticContact CD2-CE3 3.44Å; Y279-W282 HydrophobicContact CD2-CE3 3.44Å; Y279-W282 VanDerWaalsContact CD2-CE3 3.44Å; Y279-W282 AromaticContact CD2-CZ3 3.62Å; Y279-W282 HydrophobicContact CD2-CZ3 3.62Å; Y279-W282 HydrophobicContact CE2-CE3 4.03Å; Y279-W282 AromaticContact CE2-CZ3 3.7Å; Y279-W282 HydrophobicContact CE2-CZ3 3.7Å; Y279-W282 HydrophobicContact CG-CD2 4.42Å; Y279-W282 AromaticContact CG-CE3 3.78Å; Y279-W282 HydrophobicContact CG-CE3 3.78Å; Y279-W282 HydrophobicContact CG-CZ3 4.19Å; Y279-W282 PolarHBondContact O-N 2.82Å; Y279-R283 PolarHBondContact O-N 3.49Å | ||
| 280 | D | 92.1 | Very high | 94.9 | Very high | 101 Ų | 101 | 27.7 Ų | 27.7 | 54% | 0.54 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.1 | -177.1 | -71.4 | -41.3 | 0 | 0 | 0 | 113.3 | D278 R283 R321 | D278-D280 PolarHBondContact O-N 3.39Å; D280-R283 IonicContact OD1-CZ 2.73Å; D280-R283 IonicContact OD1-NH1 2.8Å; D280-R283 PolarHBondContact OD1-NH1 3.28Å; D280-R283 IonicContact OD1-NH2 3.11Å; D280-R283 PolarHBondContact OD1-NH2 2.84Å; D280-R321 PolarHBondContact O-NH1 3.13Å; D280-R321 PolarHBondContact O-NH2 2.96Å |
| 281 | D | 92.9 | Very high | 94.6 | Very high | 38 Ų | 38 | 29.8 Ų | 29.8 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -34.7 | 179.2 | 72.7 | -42.6 | 0 | 0 | 0 | 112.5 | H125 H130 C131 Y279 | H125-D281 IonicContact CD2-OD1 3.82Å; H125-D281 IonicContact NE2-OD1 2.75Å; H125-D281 PolarHBondContact NE2-OD1 3.29Å; H125-D281 VanDerWaalsContact NE2-OD1 3.07Å; H125-D281 IonicContact NE2-OD2 3.23Å; H130-D281 WeakPolarHBondContact CA-OD2 3.4Å; C131-D281 WeakPolarHBondContact CB-OD2 3.46Å; C131-D281 PolarHBondContact N-OD2 3.16Å; Y279-D281 PolarHBondContact O-N 3.21Å |
| 282 | W | 94.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 4% | 0.038 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -29.3 | 176.5 | -77.1 | -4.9 | 0 | 0 | 0 | 113.6 | I121 H125 C131 V136 L137 L276 Y279 S285 L286 | I121-W282 HydrophobicContact CG2-CH2 4.11Å; I121-W282 HydrophobicContact CG2-CZ3 3.93Å; H125-W282 HydrophobicContact CB-CH2 3.8Å; H125-W282 HydrophobicContact CB-CZ2 4.06Å; H125-W282 HydrophobicContact CB-CZ3 4.44Å; H125-W282 AromaticContact CD2-CD2 3.94Å; H125-W282 AromaticContact CD2-CE2 3.64Å; H125-W282 AromaticContact CD2-CH2 3.84Å; H125-W282 AromaticContact CD2-CZ2 3.63Å; C131-W282 HydrophobicContact CB-CZ2 4.09Å; V136-W282 HydrophobicContact CB-CZ2 4.42Å; V136-W282 HydrophobicContact CG1-CH2 4.11Å; V136-W282 HydrophobicContact CG1-CZ2 3.9Å; L137-W282 HydrophobicContact CB-CD2 4.08Å; L137-W282 HydrophobicContact CB-CG 4.06Å; L137-W282 HydrophobicContact CD1-CB 4.05Å; L137-W282 HydrophobicContact CD1-CD2 4.02Å; L137-W282 HydrophobicContact CD1-CE3 4.23Å; L137-W282 HydrophobicContact CD1-CG 3.99Å; L137-W282 HydrophobicContact CD2-CB 3.7Å; L137-W282 HydrophobicContact CD2-CG 3.77Å; L137-W282 WeakPolarHBondContact CD2-O 3.41Å; L137-W282 HydrophobicContact CG-CB 4.38Å; L137-W282 HydrophobicContact CG-CD2 4.45Å; L137-W282 HydrophobicContact CG-CG 4.15Å; L276-W282 HydrophobicContact CD2-CE3 3.53Å; L276-W282 HydrophobicContact CD2-CH2 4.2Å; L276-W282 HydrophobicContact CD2-CZ3 3.32Å; Y279-W282 HydrophobicContact CD2-CD2 4.47Å; Y279-W282 AromaticContact CD2-CE3 3.44Å; Y279-W282 HydrophobicContact CD2-CE3 3.44Å; Y279-W282 VanDerWaalsContact CD2-CE3 3.44Å; Y279-W282 AromaticContact CD2-CZ3 3.62Å; Y279-W282 HydrophobicContact CD2-CZ3 3.62Å; Y279-W282 HydrophobicContact CE2-CE3 4.03Å; Y279-W282 AromaticContact CE2-CZ3 3.7Å; Y279-W282 HydrophobicContact CE2-CZ3 3.7Å; Y279-W282 HydrophobicContact CG-CD2 4.42Å; Y279-W282 AromaticContact CG-CE3 3.78Å; Y279-W282 HydrophobicContact CG-CE3 3.78Å; Y279-W282 HydrophobicContact CG-CZ3 4.19Å; Y279-W282 PolarHBondContact O-N 2.82Å; W282-S285 PolarHBondContact O-N 3.41Å; W282-S285 VanDerWaalsContact O-N 3.09Å; W282-L286 WeakPolarHBondContact O-CB 3.46Å; W282-L286 PolarHBondContact O-N 3.27Å |
| 283 | R | 95 | Very high | 93.8 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -51.4 | -43.6 | -171.9 | -156.1 | 177.8 | -58.8 | 121.8 | 5.2 | 115.1 | S277 D278 Y279 D280 L286 A287 R315 F316 D319 | S277-R283 PolarHBondContact O-NE 3.45Å; S277-R283 PolarHBondContact O-NH2 3.38Å; D278-R283 PolarHBondContact O-NH2 3.15Å; D278-R283 VanDerWaalsContact O-NH2 3.15Å; Y279-R283 PolarHBondContact O-N 3.49Å; D280-R283 IonicContact OD1-CZ 2.73Å; D280-R283 IonicContact OD1-NH1 2.8Å; D280-R283 PolarHBondContact OD1-NH1 3.28Å; D280-R283 IonicContact OD1-NH2 3.11Å; D280-R283 PolarHBondContact OD1-NH2 2.84Å; R283-L286 PolarHBondContact O-N 3.22Å; R283-A287 WeakPolarHBondContact O-CB 3.19Å; R283-A287 PolarHBondContact O-N 2.94Å; R283-R315 VanDerWaalsContact CD-O 3.25Å; R283-R315 WeakPolarHBondContact CD-O 3.48Å; R283-F316 HydrophobicContact CG-CD1 3.73Å; R283-F316 HydrophobicContact CG-CE1 3.96Å; R283-D319 WeakPolarHBondContact CD-OD2 3.31Å; R283-D319 IonicContact CZ-OD2 2.74Å; R283-D319 IonicContact NE-OD2 2.74Å; R283-D319 IonicContact NH1-OD2 3.67Å; R283-D319 PolarHBondContact NH1-OD2 3.05Å |
| 284 | P | 94.3 | Very high | 93.4 | Very high | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -41.2 | 177.8 | -19.9 | 33.2 | 0 | 0 | 0 | 113.7 | L286 A287 S288 E323 V324 | P284-L286 VanDerWaalsContact C-N 3.35Å; P284-A287 PolarHBondContact O-N 2.88Å; P284-S288 WeakPolarHBondContact O-CB 3.44Å; P284-S288 PolarHBondContact O-N 3.08Å; P284-E323 HydrophobicContact CB-CG 4.19Å; P284-E323 WeakPolarHBondContact CB-OE1 3.4Å; P284-V324 HydrophobicContact CB-CG2 4Å; P284-V324 HydrophobicContact CG-CG2 3.92Å |
| 285 | S | 94.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 33.1 Ų | 33.1 | 46% | 0.462 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.9 | -37.5 | 176.9 | -70.5 | 0 | 0 | 0 | 0 | 111.1 | L137 W282 S288 L289 | L137-S285 VanDerWaalsContact CD2-CB 3.41Å; W282-S285 PolarHBondContact O-N 3.41Å; W282-S285 VanDerWaalsContact O-N 3.09Å; S285-S288 PolarHBondContact O-N 3.01Å; S285-L289 WeakPolarHBondContact O-CB 3.43Å; S285-L289 WeakPolarHBondContact O-CD1 3.35Å; S285-L289 WeakPolarHBondContact O-CG 3.42Å; S285-L289 PolarHBondContact O-N 3.3Å |
| 286 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 174.5 | -177.2 | 65.1 | 0 | 0 | 0 | 111.5 | L137 V141 L273 L276 W282 R283 P284 S288 L289 L290 V312 F316 | L137-L286 HydrophobicContact CD1-CB 4.36Å; L137-L286 HydrophobicContact CD1-CD1 4.29Å; L137-L286 HydrophobicContact CD2-CB 4.45Å; V141-L286 HydrophobicContact CG2-CD1 3.39Å; L273-L286 HydrophobicContact CD2-CD1 4.38Å; L276-L286 HydrophobicContact CB-CD1 4.42Å; L276-L286 HydrophobicContact CB-CD2 3.88Å; L276-L286 HydrophobicContact CD1-CD1 4.49Å; W282-L286 WeakPolarHBondContact O-CB 3.46Å; W282-L286 PolarHBondContact O-N 3.27Å; R283-L286 PolarHBondContact O-N 3.22Å; P284-L286 VanDerWaalsContact C-N 3.35Å; L286-S288 VanDerWaalsContact C-N 3.32Å; L286-S288 PolarHBondContact O-N 3.38Å; L286-L289 PolarHBondContact O-N 3.34Å; L286-L290 HydrophobicContact CD1-CD1 4.29Å; L286-L290 HydrophobicContact CD1-CG 4.36Å; L286-L290 HydrophobicContact CG-CD1 4.37Å; L286-L290 WeakPolarHBondContact O-CG 3.26Å; L286-L290 PolarHBondContact O-N 3.11Å; L286-V312 HydrophobicContact CD2-CG1 4.39Å; L286-F316 HydrophobicContact CB-CE1 4.42Å; L286-F316 HydrophobicContact CB-CZ 4.46Å; L286-F316 HydrophobicContact CD2-CE1 4.07Å; L286-F316 HydrophobicContact CD2-CZ 4.15Å; L286-F316 HydrophobicContact CG-CE1 4.17Å; L286-F316 HydrophobicContact CG-CZ 3.93Å |
| 287 | A | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R283 P284 L290 Q291 F316 V324 C327 | R283-A287 WeakPolarHBondContact O-CB 3.19Å; R283-A287 PolarHBondContact O-N 2.94Å; P284-A287 PolarHBondContact O-N 2.88Å; A287-L290 CarbonylContact O-C 3.55Å; A287-L290 PolarHBondContact O-N 2.99Å; A287-Q291 WeakPolarHBondContact O-CB 3.47Å; A287-Q291 PolarHBondContact O-N 2.7Å; A287-F316 HydrophobicContact CB-CD1 3.99Å; A287-F316 HydrophobicContact CB-CD2 4.11Å; A287-F316 HydrophobicContact CB-CE1 3.88Å; A287-F316 HydrophobicContact CB-CE2 4.02Å; A287-F316 HydrophobicContact CB-CG 4.1Å; A287-F316 HydrophobicContact CB-CZ 3.9Å; A287-V324 HydrophobicContact CB-CG1 3.96Å; A287-C327 HydrophobicContact CB-CB 3.79Å |
| 288 | S | 93.7 | Very high | 92 | Very high | 71 Ų | 71 | 41 Ų | 41 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -39.1 | 173.8 | 179.2 | 0 | 0 | 0 | 0 | 113 | P284 S285 L286 L290 Q291 | P284-S288 WeakPolarHBondContact O-CB 3.44Å; P284-S288 PolarHBondContact O-N 3.08Å; S285-S288 PolarHBondContact O-N 3.01Å; L286-S288 VanDerWaalsContact C-N 3.32Å; L286-S288 PolarHBondContact O-N 3.38Å; S288-L290 VanDerWaalsContact C-N 3.28Å; S288-L290 PolarHBondContact O-N 3.12Å; S288-Q291 PolarHBondContact O-N 3.32Å; S288-Q291 VanDerWaalsContact O-O 3.05Å |
| 289 | L | 93.1 | Very high | 91.8 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.8 | -24.8 | 176.8 | -72.4 | 165.7 | 0 | 0 | 0 | 113.1 | L137 P138 V141 S285 L286 Q291 | L137-L289 HydrophobicContact CG-CD1 4.44Å; P138-L289 HydrophobicContact CB-CD1 4.3Å; P138-L289 HydrophobicContact CG-CD1 4.27Å; V141-L289 HydrophobicContact CB-CD1 4.18Å; V141-L289 HydrophobicContact CG1-CB 4.08Å; V141-L289 HydrophobicContact CG1-CD1 4.41Å; V141-L289 HydrophobicContact CG2-CD1 4.06Å; S285-L289 WeakPolarHBondContact O-CB 3.43Å; S285-L289 WeakPolarHBondContact O-CD1 3.35Å; S285-L289 WeakPolarHBondContact O-CG 3.42Å; S285-L289 PolarHBondContact O-N 3.3Å; L286-L289 PolarHBondContact O-N 3.34Å; L289-Q291 VanDerWaalsContact C-N 3.33Å |
| 290 | L | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 14.8 | 173.4 | -61.5 | -173.2 | 0 | 0 | 0 | 113.1 | V141 L145 L286 A287 S288 P294 F295 V312 F316 W338 | V141-L290 HydrophobicContact CG1-CD2 4.37Å; L145-L290 HydrophobicContact CD2-CD2 4.07Å; L286-L290 HydrophobicContact CD1-CD1 4.29Å; L286-L290 HydrophobicContact CD1-CG 4.36Å; L286-L290 HydrophobicContact CG-CD1 4.37Å; L286-L290 WeakPolarHBondContact O-CG 3.26Å; L286-L290 PolarHBondContact O-N 3.11Å; A287-L290 CarbonylContact O-C 3.55Å; A287-L290 PolarHBondContact O-N 2.99Å; S288-L290 VanDerWaalsContact C-N 3.28Å; S288-L290 PolarHBondContact O-N 3.12Å; L290-P294 HydrophobicContact CD2-CG 3.76Å; L290-F295 HydrophobicContact CD2-CE2 4.21Å; L290-F295 HydrophobicContact CD2-CZ 4.08Å; L290-V312 HydrophobicContact CD1-CG1 4Å; L290-F316 HydrophobicContact CB-CE2 4.48Å; L290-F316 HydrophobicContact CD1-CE2 4.15Å; L290-F316 HydrophobicContact CD1-CZ 4.03Å; L290-W338 HydrophobicContact CB-CZ2 4.18Å; L290-W338 WeakPolarHBondContact O-CZ2 3.5Å; L290-W338 PolarHBondContact O-NE1 3.39Å |
| 291 | Q | 89.4 | Confident | 91.3 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 22% | 0.22 | 20% | 0.196 | C | C | . | . | trans | -129.7 | 120.5 | 176.5 | -157.6 | -156.2 | 24.8 | 0 | 0 | 111.1 | A287 S288 L289 S326 C327 L329 V331 | A287-Q291 WeakPolarHBondContact O-CB 3.47Å; A287-Q291 PolarHBondContact O-N 2.7Å; S288-Q291 PolarHBondContact O-N 3.32Å; S288-Q291 VanDerWaalsContact O-O 3.05Å; L289-Q291 VanDerWaalsContact C-N 3.33Å; Q291-S326 PolarHBondContact NE2-O 2.76Å; Q291-S326 VanDerWaalsContact NE2-O 3.09Å; Q291-C327 HydrophobicContact CB-CB 4.32Å; Q291-C327 VanDerWaalsContact CD-CA 3.47Å; Q291-C327 WeakPolarHBondContact CG-O 3.29Å; Q291-C327 PolarHBondContact NE2-O 3.42Å; Q291-L329 PolarHBondContact NE2-O 2.84Å; Q291-V331 HydrophobicContact CG-CG2 3.54Å | ||
| 292 | P | 86.9 | Confident | 91.2 | Very high | 81 Ų | 81 | 33.7 Ų | 33.7 | 53% | 0.526 | 19% | 0.191 | S | C | . | . | S | Bend | cis | -68.2 | 162.2 | -1.3 | 32.7 | -37.3 | 0 | 0 | 0 | 112.3 | P294 V331 | P292-P294 WeakPolarHBondContact O-CD 3.35Å; P292-V331 HydrophobicContact CB-CG2 4Å |
| 293 | I | 89.1 | Confident | 90.9 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | trans | -47.1 | 110.1 | -179.8 | -58.5 | 180 | 0 | 0 | 0 | 110.5 | F295 L300 W338 | I293-F295 VanDerWaalsContact C-N 3.34Å; I293-F295 HydrophobicContact CG2-CB 4.42Å; I293-F295 HydrophobicContact CG2-CD2 4.1Å; I293-F295 PolarHBondContact O-N 3.25Å; I293-L300 HydrophobicContact CG2-CD1 3.86Å; I293-L300 HydrophobicContact CG2-CD2 3.96Å; I293-L300 HydrophobicContact CG2-CG 4.5Å; I293-W338 HydrophobicContact CB-CH2 4.3Å; I293-W338 HydrophobicContact CB-CZ2 4.24Å; I293-W338 HydrophobicContact CD1-CD2 4.32Å; I293-W338 HydrophobicContact CD1-CE3 4.14Å; I293-W338 HydrophobicContact CD1-CZ3 4.3Å; I293-W338 HydrophobicContact CG1-CD2 4.05Å; I293-W338 HydrophobicContact CG1-CE3 4.21Å; I293-W338 HydrophobicContact CG1-CH2 4.08Å; I293-W338 HydrophobicContact CG1-CZ2 3.89Å; I293-W338 HydrophobicContact CG1-CZ3 4.24Å; I293-W338 HydrophobicContact CG2-CH2 3.71Å; I293-W338 HydrophobicContact CG2-CZ2 4.12Å; I293-W338 HydrophobicContact CG2-CZ3 4.14Å | ||
| 294 | P | 89.1 | Confident | 90.6 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 17% | 0.169 | 24% | 0.237 | C | C | . | . | trans | -98.9 | 39.8 | -169.3 | 40.4 | -38.6 | 0 | 0 | 0 | 111.9 | L145 Y149 L290 P292 | L145-P294 HydrophobicContact CD1-CB 4.04Å; L145-P294 HydrophobicContact CD1-CG 4.05Å; L145-P294 HydrophobicContact CD2-CB 4.18Å; L145-P294 HydrophobicContact CD2-CG 3.63Å; Y149-P294 WeakPolarHBondContact CE2-O 3.01Å; Y149-P294 PolarHBondContact OH-O 2.72Å; L290-P294 HydrophobicContact CD2-CG 3.76Å; P292-P294 WeakPolarHBondContact O-CD 3.35Å | ||
| 295 | F | 91 | Very high | 90.6 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -126.6 | 149.5 | -174.5 | -62.4 | -70.2 | 0 | 0 | 0 | 111.3 | L145 I148 L273 L290 I293 A299 L300 F305 L309 W338 | L145-F295 HydrophobicContact CD2-CD1 4.09Å; L145-F295 HydrophobicContact CD2-CE1 3.38Å; L145-F295 HydrophobicContact CD2-CE2 4.45Å; L145-F295 HydrophobicContact CD2-CZ 3.6Å; I148-F295 HydrophobicContact CD1-CE1 3.9Å; I148-F295 HydrophobicContact CG2-CD1 3.96Å; I148-F295 HydrophobicContact CG2-CE1 4.14Å; L273-F295 HydrophobicContact CD1-CE1 4.49Å; L273-F295 HydrophobicContact CD1-CZ 4.1Å; L290-F295 HydrophobicContact CD2-CE2 4.21Å; L290-F295 HydrophobicContact CD2-CZ 4.08Å; I293-F295 VanDerWaalsContact C-N 3.34Å; I293-F295 HydrophobicContact CG2-CB 4.42Å; I293-F295 HydrophobicContact CG2-CD2 4.1Å; I293-F295 PolarHBondContact O-N 3.25Å; F295-A299 HydrophobicContact CB-CB 4.46Å; F295-L300 HydrophobicContact CB-CD2 4.08Å; F295-L300 HydrophobicContact CB-CG 4.31Å; F295-F305 HydrophobicContact CB-CE1 4.44Å; F295-F305 HydrophobicContact CB-CZ 4.49Å; F295-F305 HydrophobicContact CD1-CE1 4.31Å; F295-F305 HydrophobicContact CD1-CE2 4.38Å; F295-F305 AromaticContact CD1-CZ 3.56Å; F295-F305 HydrophobicContact CD1-CZ 3.56Å; F295-F305 HydrophobicContact CD2-CE1 4.41Å; F295-F305 HydrophobicContact CD2-CZ 4.12Å; F295-F305 HydrophobicContact CE1-CE2 4.26Å; F295-F305 AromaticContact CE1-CZ 3.65Å; F295-F305 HydrophobicContact CE1-CZ 3.65Å; F295-F305 HydrophobicContact CE2-CZ 4.21Å; F295-F305 HydrophobicContact CG-CE1 4.14Å; F295-F305 AromaticContact CG-CZ 3.8Å; F295-F305 HydrophobicContact CG-CZ 3.8Å; F295-F305 AromaticContact CZ-CZ 3.99Å; F295-F305 HydrophobicContact CZ-CZ 3.99Å; F295-L309 HydrophobicContact CD2-CD2 4.23Å; F295-L309 HydrophobicContact CE2-CD1 4.38Å; F295-L309 HydrophobicContact CE2-CD2 3.89Å; F295-L309 HydrophobicContact CZ-CD1 4.42Å; F295-L309 HydrophobicContact CZ-CD2 4.49Å; F295-W338 AromaticContact CD2-CH2 3.77Å; F295-W338 HydrophobicContact CD2-CH2 3.77Å; F295-W338 HydrophobicContact CD2-CZ2 4.45Å; F295-W338 AromaticContact CE2-CH2 3.74Å; F295-W338 HydrophobicContact CE2-CH2 3.74Å; F295-W338 HydrophobicContact CE2-CZ2 4.22Å |
| 296 | P | 89.1 | Confident | 90.5 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | trans | -67.8 | 154.6 | 175.4 | 28.7 | -31.3 | 0 | 0 | 0 | 110.8 | Y149 Y152 I156 E298 A299 L300 | Y149-P296 HydrophobicContact CD1-CB 4.15Å; Y149-P296 HydrophobicContact CD1-CG 3.89Å; Y149-P296 HydrophobicContact CE1-CB 3.8Å; Y149-P296 HydrophobicContact CE1-CG 3.89Å; Y152-P296 HydrophobicContact CD2-CG 4.2Å; Y152-P296 HydrophobicContact CG-CG 4.37Å; I156-P296 HydrophobicContact CD1-CB 3.71Å; I156-P296 HydrophobicContact CD1-CG 4.18Å; I156-P296 HydrophobicContact CG1-CB 4.21Å; P296-E298 PolarHBondContact O-N 3.43Å; P296-A299 HydrophobicContact CG-CB 3.78Å; P296-A299 WeakPolarHBondContact O-CB 3.34Å; P296-A299 PolarHBondContact O-N 2.96Å; P296-A299 VanDerWaalsContact O-N 3.07Å; P296-L300 PolarHBondContact O-N 2.95Å | ||
| 297 | K | 86.8 | Confident | 90.3 | Very high | 154 Ų | 154 | 45.1 Ų | 45.1 | 67% | 0.67 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.9 | -29.6 | -178.8 | -67.4 | -179.3 | 179.5 | 178.1 | 0 | 111.8 | L300 A301 | K297-L300 CarbonylContact O-C 3.49Å; K297-L300 PolarHBondContact O-N 3.41Å; K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 2.92Å |
| 298 | E | 88.7 | Confident | 90.2 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 9% | 0.089 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 176.6 | -64.9 | 59 | -132.9 | 0 | 0 | 110.7 | Y152 F155 I156 R159 I256 P296 A301 H302 | Y152-E298 HydrophobicContact CD1-CB 3.91Å; Y152-E298 HydrophobicContact CG-CB 4.3Å; F155-E298 HydrophobicContact CB-CB 4.43Å; F155-E298 HydrophobicContact CB-CG 3.96Å; I156-E298 HydrophobicContact CG1-CG 4.23Å; R159-E298 VanDerWaalsContact CD-OE1 3.25Å; R159-E298 WeakPolarHBondContact CD-OE1 3.46Å; R159-E298 IonicContact CZ-OE1 3.56Å; R159-E298 IonicContact NE-OE1 3.73Å; R159-E298 IonicContact NH1-OE1 2.68Å; R159-E298 PolarHBondContact NH1-OE1 3.49Å; I256-E298 HydrophobicContact CD1-CB 4.25Å; I256-E298 WeakPolarHBondContact CD1-O 3.47Å; P296-E298 PolarHBondContact O-N 3.43Å; E298-A301 PolarHBondContact O-N 2.96Å; E298-H302 PolarHBondContact O-N 2.91Å |
| 299 | A | 89.4 | Confident | 90.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y152 F295 P296 A301 H302 F305 | Y152-A299 HydrophobicContact CD2-CB 3.79Å; Y152-A299 HydrophobicContact CE1-CB 4.41Å; Y152-A299 HydrophobicContact CE2-CB 3.46Å; Y152-A299 VanDerWaalsContact CE2-CB 3.46Å; Y152-A299 HydrophobicContact CG-CB 4.41Å; F295-A299 HydrophobicContact CB-CB 4.46Å; P296-A299 HydrophobicContact CG-CB 3.78Å; P296-A299 WeakPolarHBondContact O-CB 3.34Å; P296-A299 PolarHBondContact O-N 2.96Å; P296-A299 VanDerWaalsContact O-N 3.07Å; A299-A301 PolarHBondContact O-N 3.35Å; A299-H302 PolarHBondContact O-N 3.17Å; A299-F305 HydrophobicContact CB-CD1 3.84Å; A299-F305 HydrophobicContact CB-CE1 3.9Å; A299-F305 HydrophobicContact CB-CG 4.27Å; A299-F305 HydrophobicContact CB-CZ 4.4Å; A299-F305 WeakPolarHBondContact O-CD1 3.44Å |
| 300 | L | 89.4 | Confident | 90.2 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.5 | -13.8 | 178.6 | -57.7 | 176.3 | 0 | 0 | 0 | 114 | I293 F295 P296 K297 F305 T306 L341 | I293-L300 HydrophobicContact CG2-CD1 3.86Å; I293-L300 HydrophobicContact CG2-CD2 3.96Å; I293-L300 HydrophobicContact CG2-CG 4.5Å; F295-L300 HydrophobicContact CB-CD2 4.08Å; F295-L300 HydrophobicContact CB-CG 4.31Å; P296-L300 PolarHBondContact O-N 2.95Å; K297-L300 CarbonylContact O-C 3.49Å; K297-L300 PolarHBondContact O-N 3.41Å; L300-F305 HydrophobicContact CD2-CE1 4.33Å; L300-T306 WeakPolarHBondContact O-CG2 3.47Å; L300-L341 HydrophobicContact CD1-CD1 4.43Å; L300-L341 HydrophobicContact CD2-CD2 3.94Å |
| 301 | A | 87.4 | Confident | 90.4 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -8.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I256 K297 E298 A299 | I256-A301 HydrophobicContact CD1-CB 4.16Å; K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 2.92Å; E298-A301 PolarHBondContact O-N 2.96Å; A299-A301 PolarHBondContact O-N 3.35Å |
| 302 | H | 90.2 | Very high | 90.7 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | trans | -89.1 | 106.6 | 179.6 | 177.5 | -121.9 | 0 | 0 | 0 | 110.3 | Y152 I256 E298 A299 K304 F305 T306 | Y152-H302 HydrophobicContact CE1-CB 4.08Å; Y152-H302 WeakPolarHBondContact OH-CB 3.33Å; Y152-H302 PolarHBondContact OH-ND1 3.21Å; I256-H302 PolarHBondContact O-CD2 3.44Å; E298-H302 PolarHBondContact O-N 2.91Å; A299-H302 PolarHBondContact O-N 3.17Å; H302-K304 VanDerWaalsContact C-N 3.31Å; H302-K304 PolarHBondContact O-N 2.94Å; H302-F305 HydrophobicContact CB-CB 4.21Å; H302-F305 PolarHBondContact ND1-N 3.44Å; H302-F305 WeakPolarHBondContact O-CA 3.41Å; H302-F305 WeakPolarHBondContact O-CB 3.45Å; H302-F305 PolarHBondContact O-N 2.89Å; H302-T306 PolarHBondContact O-N 3.43Å; H302-T306 VanDerWaalsContact O-N 3.09Å; H302-T306 PolarHBondContact O-OG1 2.99Å | ||
| 303 | E | 88.1 | Confident | 91.1 | Very high | 133 Ų | 133 | 41.5 Ų | 41.5 | 62% | 0.621 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -49.4 | -45.6 | -174.7 | -172.3 | -168.8 | 148.3 | 0 | 0 | 113.6 | F305 T306 K307 | E303-F305 VanDerWaalsContact C-N 3.29Å; E303-F305 PolarHBondContact O-N 2.86Å; E303-T306 WeakPolarHBondContact CA-OG1 3.47Å; E303-T306 PolarHBondContact O-N 3.05Å; E303-T306 PolarHBondContact O-OG1 3.43Å; E303-K307 WeakPolarHBondContact O-CB 3.49Å; E303-K307 PolarHBondContact O-N 2.94Å |
| 304 | K | 89.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 41% | 0.409 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -34.1 | 178.1 | 178.9 | -179 | 178 | -176.2 | 0 | 112.1 | D263 H302 E308 | D263-K304 IonicContact OD1-NZ 3.6Å; D263-K304 PolarHBondContact OD1-NZ 3.2Å; D263-K304 IonicContact OD2-NZ 3.45Å; D263-K304 PolarHBondContact OD2-NZ 3.24Å; H302-K304 VanDerWaalsContact C-N 3.31Å; H302-K304 PolarHBondContact O-N 2.94Å; K304-E308 HydrophobicContact CG-CG 4.47Å; K304-E308 WeakPolarHBondContact O-CB 3.45Å; K304-E308 WeakPolarHBondContact O-CG 3.28Å; K304-E308 PolarHBondContact O-N 3.44Å |
| 305 | F | 93 | Very high | 91.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.5 | -47.3 | 176.3 | 174.1 | -100.1 | 0 | 0 | 0 | 111.8 | I148 L266 V270 F295 A299 L300 H302 E303 E308 L309 | I148-F305 HydrophobicContact CD1-CE2 4.26Å; I148-F305 HydrophobicContact CG2-CD2 4.45Å; I148-F305 HydrophobicContact CG2-CE2 3.8Å; I148-F305 HydrophobicContact CG2-CZ 4.25Å; L266-F305 HydrophobicContact CD1-CD2 3.78Å; L266-F305 HydrophobicContact CD1-CE2 4.35Å; L266-F305 HydrophobicContact CD2-CB 4.36Å; L266-F305 HydrophobicContact CG-CD2 4.49Å; V270-F305 HydrophobicContact CG2-CD2 3.71Å; V270-F305 HydrophobicContact CG2-CE2 3.72Å; F295-F305 HydrophobicContact CB-CE1 4.44Å; F295-F305 HydrophobicContact CB-CZ 4.49Å; F295-F305 HydrophobicContact CD1-CE1 4.31Å; F295-F305 HydrophobicContact CD1-CE2 4.38Å; F295-F305 AromaticContact CD1-CZ 3.56Å; F295-F305 HydrophobicContact CD1-CZ 3.56Å; F295-F305 HydrophobicContact CD2-CE1 4.41Å; F295-F305 HydrophobicContact CD2-CZ 4.12Å; F295-F305 HydrophobicContact CE1-CE2 4.26Å; F295-F305 AromaticContact CE1-CZ 3.65Å; F295-F305 HydrophobicContact CE1-CZ 3.65Å; F295-F305 HydrophobicContact CE2-CZ 4.21Å; F295-F305 HydrophobicContact CG-CE1 4.14Å; F295-F305 AromaticContact CG-CZ 3.8Å; F295-F305 HydrophobicContact CG-CZ 3.8Å; F295-F305 AromaticContact CZ-CZ 3.99Å; F295-F305 HydrophobicContact CZ-CZ 3.99Å; A299-F305 HydrophobicContact CB-CD1 3.84Å; A299-F305 HydrophobicContact CB-CE1 3.9Å; A299-F305 HydrophobicContact CB-CG 4.27Å; A299-F305 HydrophobicContact CB-CZ 4.4Å; A299-F305 WeakPolarHBondContact O-CD1 3.44Å; L300-F305 HydrophobicContact CD2-CE1 4.33Å; H302-F305 HydrophobicContact CB-CB 4.21Å; H302-F305 PolarHBondContact ND1-N 3.44Å; H302-F305 WeakPolarHBondContact O-CA 3.41Å; H302-F305 WeakPolarHBondContact O-CB 3.45Å; H302-F305 PolarHBondContact O-N 2.89Å; E303-F305 VanDerWaalsContact C-N 3.29Å; E303-F305 PolarHBondContact O-N 2.86Å; F305-E308 PolarHBondContact O-N 3.44Å; F305-L309 HydrophobicContact CE1-CD2 3.68Å; F305-L309 HydrophobicContact CZ-CB 4.48Å; F305-L309 HydrophobicContact CZ-CD2 3.76Å; F305-L309 VanDerWaalsContact O-CB 3.24Å; F305-L309 WeakPolarHBondContact O-CB 3.35Å; F305-L309 PolarHBondContact O-N 2.64Å |
| 306 | T | 91.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | -179.2 | 49 | 0 | 0 | 0 | 0 | 111.4 | L300 H302 E303 E308 L309 K310 Y342 A348 | L300-T306 WeakPolarHBondContact O-CG2 3.47Å; H302-T306 PolarHBondContact O-N 3.43Å; H302-T306 VanDerWaalsContact O-N 3.09Å; H302-T306 PolarHBondContact O-OG1 2.99Å; E303-T306 WeakPolarHBondContact CA-OG1 3.47Å; E303-T306 PolarHBondContact O-N 3.05Å; E303-T306 PolarHBondContact O-OG1 3.43Å; T306-E308 PolarHBondContact O-N 2.68Å; T306-L309 PolarHBondContact O-N 2.74Å; T306-K310 WeakPolarHBondContact O-CB 3.5Å; T306-K310 PolarHBondContact O-N 3.4Å; T306-Y342 PolarHBondContact O-OH 3.49Å; T306-A348 HydrophobicContact CG2-CB 3.66Å |
| 307 | K | 91.6 | Very high | 91.8 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 48% | 0.478 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 174.5 | -179.3 | 163.5 | -167.7 | 158.3 | 0 | 114 | E303 K310 D350 | E303-K307 WeakPolarHBondContact O-CB 3.49Å; E303-K307 PolarHBondContact O-N 2.94Å; K307-K310 VanDerWaalsContact O-CB 3.25Å; K307-K310 WeakPolarHBondContact O-CB 3.25Å; K307-D350 WeakPolarHBondContact CG-OD2 3.36Å |
| 308 | E | 92.6 | Very high | 92 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 33% | 0.327 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -76.2 | -36 | -179.4 | -65.8 | -75 | 127.1 | 0 | 0 | 111.8 | V270 K274 K304 F305 T306 K310 | V270-E308 HydrophobicContact CG1-CB 3.57Å; K274-E308 VanDerWaalsContact CE-O 3.28Å; K274-E308 WeakPolarHBondContact CE-O 3.44Å; K274-E308 WeakPolarHBondContact CE-OE2 3.41Å; K274-E308 IonicContact NZ-OE2 3.56Å; K274-E308 PolarHBondContact NZ-OE2 2.79Å; K304-E308 HydrophobicContact CG-CG 4.47Å; K304-E308 WeakPolarHBondContact O-CB 3.45Å; K304-E308 WeakPolarHBondContact O-CG 3.28Å; K304-E308 PolarHBondContact O-N 3.44Å; F305-E308 PolarHBondContact O-N 3.44Å; T306-E308 PolarHBondContact O-N 2.68Å; E308-K310 VanDerWaalsContact C-N 3.33Å |
| 309 | L | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.8 | -29.4 | 175.1 | -178.2 | 64.7 | 0 | 0 | 0 | 112.5 | F295 F305 T306 Y311 V312 I313 W338 | F295-L309 HydrophobicContact CD2-CD2 4.23Å; F295-L309 HydrophobicContact CE2-CD1 4.38Å; F295-L309 HydrophobicContact CE2-CD2 3.89Å; F295-L309 HydrophobicContact CZ-CD1 4.42Å; F295-L309 HydrophobicContact CZ-CD2 4.49Å; F305-L309 HydrophobicContact CE1-CD2 3.68Å; F305-L309 HydrophobicContact CZ-CB 4.48Å; F305-L309 HydrophobicContact CZ-CD2 3.76Å; F305-L309 VanDerWaalsContact O-CB 3.24Å; F305-L309 WeakPolarHBondContact O-CB 3.35Å; F305-L309 PolarHBondContact O-N 2.64Å; T306-L309 PolarHBondContact O-N 2.74Å; L309-Y311 PolarHBondContact O-N 2.99Å; L309-Y311 VanDerWaalsContact O-N 3.12Å; L309-V312 HydrophobicContact CD1-CB 4.17Å; L309-V312 HydrophobicContact CD1-CG2 4.22Å; L309-V312 VanDerWaalsContact O-CB 3.31Å; L309-V312 WeakPolarHBondContact O-CB 3.32Å; L309-V312 PolarHBondContact O-N 3.13Å; L309-I313 PolarHBondContact O-N 3.3Å; L309-W338 HydrophobicContact CD2-CH2 3.69Å; L309-W338 HydrophobicContact CD2-CZ3 3.68Å |
| 310 | K | 94.1 | Very high | 92 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 14% | 0.135 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -48 | -39.7 | 177.2 | -173.2 | -171.3 | 173.7 | -178.1 | 0 | 113 | T306 K307 E308 V312 I313 Q314 Y342 D350 D351 L355 | T306-K310 WeakPolarHBondContact O-CB 3.5Å; T306-K310 PolarHBondContact O-N 3.4Å; K307-K310 VanDerWaalsContact O-CB 3.25Å; K307-K310 WeakPolarHBondContact O-CB 3.25Å; E308-K310 VanDerWaalsContact C-N 3.33Å; K310-V312 VanDerWaalsContact C-N 3.33Å; K310-V312 PolarHBondContact O-N 3.2Å; K310-I313 PolarHBondContact O-N 2.99Å; K310-I313 VanDerWaalsContact O-N 3.13Å; K310-Q314 PolarHBondContact O-N 2.87Å; K310-Y342 HydrophobicContact CB-CE1 3.82Å; K310-Y342 HydrophobicContact CG-CD1 4.31Å; K310-Y342 HydrophobicContact CG-CE1 3.85Å; K310-Y342 PolarHBondContact N-OH 2.89Å; K310-D350 VanDerWaalsContact CD-OD1 3.3Å; K310-D350 WeakPolarHBondContact CD-OD1 3.37Å; K310-D350 WeakPolarHBondContact CE-OD1 3.44Å; K310-D350 IonicContact NZ-OD1 2.69Å; K310-D350 PolarHBondContact NZ-OD1 3.42Å; K310-D351 WeakPolarHBondContact CE-OD2 3.28Å; K310-D351 IonicContact NZ-OD2 3.92Å; K310-D351 PolarHBondContact NZ-OD2 3.18Å; K310-L355 HydrophobicContact CG-CD2 3.57Å |
| 311 | Y | 95.5 | Very high | 92 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 35% | 0.349 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.2 | -48.2 | 175.9 | -175.3 | -93.7 | 0 | 0 | 0 | 111.7 | K274 D278 L309 I313 Q314 R315 | K274-Y311 HydrophobicContact CB-CD1 3.77Å; K274-Y311 HydrophobicContact CB-CE1 4.17Å; K274-Y311 HydrophobicContact CD-CD1 3.9Å; K274-Y311 HydrophobicContact CD-CG 4.05Å; K274-Y311 HydrophobicContact CG-CD1 3.76Å; K274-Y311 HydrophobicContact CG-CG 4.27Å; D278-Y311 PolarHBondContact OD1-OH 2.87Å; L309-Y311 PolarHBondContact O-N 2.99Å; L309-Y311 VanDerWaalsContact O-N 3.12Å; Y311-I313 VanDerWaalsContact C-N 3.3Å; Y311-I313 PolarHBondContact O-N 3.02Å; Y311-Q314 WeakPolarHBondContact O-CB 3Å; Y311-Q314 PolarHBondContact O-N 3.33Å; Y311-Q314 VanDerWaalsContact O-N 3.15Å; Y311-R315 HydrophobicContact CD1-CG 4.11Å; Y311-R315 HydrophobicContact CE1-CG 3.81Å; Y311-R315 WeakPolarHBondContact O-CG 3.46Å; Y311-R315 PolarHBondContact O-N 3.46Å |
| 312 | V | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | L273 K274 L286 L290 L309 K310 R315 F316 | L273-V312 HydrophobicContact CB-CG2 4.16Å; K274-V312 HydrophobicContact CG-CG2 4.2Å; L286-V312 HydrophobicContact CD2-CG1 4.39Å; L290-V312 HydrophobicContact CD1-CG1 4Å; L309-V312 HydrophobicContact CD1-CB 4.17Å; L309-V312 HydrophobicContact CD1-CG2 4.22Å; L309-V312 VanDerWaalsContact O-CB 3.31Å; L309-V312 WeakPolarHBondContact O-CB 3.32Å; L309-V312 PolarHBondContact O-N 3.13Å; K310-V312 VanDerWaalsContact C-N 3.33Å; K310-V312 PolarHBondContact O-N 3.2Å; V312-R315 PolarHBondContact O-N 3.15Å; V312-F316 HydrophobicContact CG1-CE1 3.95Å; V312-F316 HydrophobicContact CG1-CE2 3.85Å; V312-F316 HydrophobicContact CG1-CZ 3.47Å; V312-F316 VanDerWaalsContact CG1-CZ 3.47Å; V312-F316 WeakPolarHBondContact O-CD1 3.48Å; V312-F316 WeakPolarHBondContact O-CG 3.5Å; V312-F316 PolarHBondContact O-N 3.05Å; V312-F316 VanDerWaalsContact O-N 3.13Å |
| 313 | I | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.5 | -34.7 | 179.5 | -52 | -50.9 | 0 | 0 | 0 | 111.4 | L309 K310 Y311 F316 A317 L328 W338 Y342 L355 M359 | L309-I313 PolarHBondContact O-N 3.3Å; K310-I313 PolarHBondContact O-N 2.99Å; K310-I313 VanDerWaalsContact O-N 3.13Å; Y311-I313 VanDerWaalsContact C-N 3.3Å; Y311-I313 PolarHBondContact O-N 3.02Å; I313-F316 HydrophobicContact CD1-CD2 3.91Å; I313-F316 HydrophobicContact CD1-CE2 3.94Å; I313-F316 WeakPolarHBondContact O-CB 3.3Å; I313-F316 PolarHBondContact O-N 3.31Å; I313-A317 PolarHBondContact O-N 3.28Å; I313-L328 HydrophobicContact CG2-CD2 3.87Å; I313-W338 HydrophobicContact CD1-CB 4.49Å; I313-W338 HydrophobicContact CD1-CD2 3.49Å; I313-W338 VanDerWaalsContact CD1-CD2 3.49Å; I313-W338 HydrophobicContact CD1-CE3 3.73Å; I313-W338 HydrophobicContact CD1-CG 3.85Å; I313-W338 HydrophobicContact CD1-CH2 4.39Å; I313-W338 HydrophobicContact CD1-CZ2 4.22Å; I313-W338 HydrophobicContact CD1-CZ3 4.17Å; I313-W338 HydrophobicContact CG1-CD2 4.21Å; I313-W338 HydrophobicContact CG1-CE3 4.02Å; I313-W338 HydrophobicContact CG1-CZ3 4.5Å; I313-W338 HydrophobicContact CG2-CB 4.04Å; I313-Y342 HydrophobicContact CB-CE2 4.35Å; I313-Y342 HydrophobicContact CG1-CE2 3.82Å; I313-Y342 HydrophobicContact CG2-CD2 4.35Å; I313-Y342 HydrophobicContact CG2-CE2 4.42Å; I313-L355 HydrophobicContact CB-CD2 4.19Å; I313-L355 HydrophobicContact CG2-CD2 4.08Å; I313-M359 HydrophobicContact CG2-SD 4.12Å |
| 314 | Q | 94.4 | Very high | 91.8 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 34% | 0.341 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 171.4 | -177.7 | 177.4 | -13.1 | 0 | 0 | 111.5 | K310 Y311 F316 A317 E318 L355 | K310-Q314 PolarHBondContact O-N 2.87Å; Y311-Q314 WeakPolarHBondContact O-CB 3Å; Y311-Q314 PolarHBondContact O-N 3.33Å; Y311-Q314 VanDerWaalsContact O-N 3.15Å; Q314-F316 PolarHBondContact O-N 3.27Å; Q314-A317 WeakPolarHBondContact O-CB 3.35Å; Q314-A317 PolarHBondContact O-N 2.96Å; Q314-A317 VanDerWaalsContact O-N 3.09Å; Q314-E318 HydrophobicContact CG-CG 4.33Å; Q314-E318 WeakPolarHBondContact CG-OE1 3.44Å; Q314-E318 PolarHBondContact NE2-OE1 2.89Å; Q314-E318 WeakPolarHBondContact O-CG 3.2Å; Q314-E318 PolarHBondContact O-N 2.86Å; Q314-L355 HydrophobicContact CB-CD1 3.92Å; Q314-L355 HydrophobicContact CG-CD1 4.38Å |
| 315 | R | 95.1 | Very high | 91.7 | Very high | 54 Ų | 54 | 44 Ų | 44 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -34.7 | 174.4 | -54.7 | -54.6 | -83.9 | 124.3 | 7 | 111.9 | D278 R283 Y311 V312 E318 D319 | D278-R315 IonicContact OD1-CZ 3.96Å; D278-R315 IonicContact OD1-NE 2.75Å; D278-R315 PolarHBondContact OD1-NE 3.06Å; D278-R315 VanDerWaalsContact OD1-NE 3.07Å; D278-R315 IonicContact OD1-NH2 2.66Å; R283-R315 VanDerWaalsContact CD-O 3.25Å; R283-R315 WeakPolarHBondContact CD-O 3.48Å; Y311-R315 HydrophobicContact CD1-CG 4.11Å; Y311-R315 HydrophobicContact CE1-CG 3.81Å; Y311-R315 WeakPolarHBondContact O-CG 3.46Å; Y311-R315 PolarHBondContact O-N 3.46Å; V312-R315 PolarHBondContact O-N 3.15Å; R315-E318 IonicContact CZ-OE2 2.86Å; R315-E318 IonicContact NH1-OE2 2.98Å; R315-E318 PolarHBondContact NH1-OE2 3.25Å; R315-D319 PolarHBondContact O-N 3.28Å |
| 316 | F | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.3 | -35.8 | 174 | -61.7 | -15.6 | 0 | 0 | 0 | 113.3 | R283 L286 A287 L290 V312 I313 Q314 V324 L328 | R283-F316 HydrophobicContact CG-CD1 3.73Å; R283-F316 HydrophobicContact CG-CE1 3.96Å; L286-F316 HydrophobicContact CB-CE1 4.42Å; L286-F316 HydrophobicContact CB-CZ 4.46Å; L286-F316 HydrophobicContact CD2-CE1 4.07Å; L286-F316 HydrophobicContact CD2-CZ 4.15Å; L286-F316 HydrophobicContact CG-CE1 4.17Å; L286-F316 HydrophobicContact CG-CZ 3.93Å; A287-F316 HydrophobicContact CB-CD1 3.99Å; A287-F316 HydrophobicContact CB-CD2 4.11Å; A287-F316 HydrophobicContact CB-CE1 3.88Å; A287-F316 HydrophobicContact CB-CE2 4.02Å; A287-F316 HydrophobicContact CB-CG 4.1Å; A287-F316 HydrophobicContact CB-CZ 3.9Å; L290-F316 HydrophobicContact CB-CE2 4.48Å; L290-F316 HydrophobicContact CD1-CE2 4.15Å; L290-F316 HydrophobicContact CD1-CZ 4.03Å; V312-F316 HydrophobicContact CG1-CE1 3.95Å; V312-F316 HydrophobicContact CG1-CE2 3.85Å; V312-F316 HydrophobicContact CG1-CZ 3.47Å; V312-F316 VanDerWaalsContact CG1-CZ 3.47Å; V312-F316 WeakPolarHBondContact O-CD1 3.48Å; V312-F316 WeakPolarHBondContact O-CG 3.5Å; V312-F316 PolarHBondContact O-N 3.05Å; V312-F316 VanDerWaalsContact O-N 3.13Å; I313-F316 HydrophobicContact CD1-CD2 3.91Å; I313-F316 HydrophobicContact CD1-CE2 3.94Å; I313-F316 WeakPolarHBondContact O-CB 3.3Å; I313-F316 PolarHBondContact O-N 3.31Å; Q314-F316 PolarHBondContact O-N 3.27Å; F316-V324 HydrophobicContact CB-CG1 3.88Å; F316-V324 HydrophobicContact CD1-CG1 4.25Å; F316-V324 HydrophobicContact CG-CG1 4.27Å; F316-V324 WeakPolarHBondContact O-CG1 3.47Å; F316-L328 HydrophobicContact CB-CD2 3.83Å; F316-L328 HydrophobicContact CD2-CD2 4.5Å |
| 317 | A | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -52.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I313 Q314 D319 L328 L355 M359 I362 | I313-A317 PolarHBondContact O-N 3.28Å; Q314-A317 WeakPolarHBondContact O-CB 3.35Å; Q314-A317 PolarHBondContact O-N 2.96Å; Q314-A317 VanDerWaalsContact O-N 3.09Å; A317-D319 PolarHBondContact O-N 3.41Å; A317-D319 VanDerWaalsContact O-N 3.09Å; A317-L328 HydrophobicContact CB-CD1 4.37Å; A317-L355 HydrophobicContact CB-CD1 4.47Å; A317-M359 HydrophobicContact CB-CG 3.95Å; A317-I362 HydrophobicContact CB-CD1 4.48Å; A317-I362 WeakPolarHBondContact O-CD1 3.37Å; A317-I362 WeakPolarHBondContact O-CG2 3.42Å |
| 318 | E | 90.8 | Very high | 91 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 39% | 0.388 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -64.5 | -10.8 | -176.7 | -69.3 | 170.7 | 175.8 | 0 | 0 | 115.3 | Q314 R315 | Q314-E318 HydrophobicContact CG-CG 4.33Å; Q314-E318 WeakPolarHBondContact CG-OE1 3.44Å; Q314-E318 PolarHBondContact NE2-OE1 2.89Å; Q314-E318 WeakPolarHBondContact O-CG 3.2Å; Q314-E318 PolarHBondContact O-N 2.86Å; R315-E318 IonicContact CZ-OE2 2.86Å; R315-E318 IonicContact NH1-OE2 2.98Å; R315-E318 PolarHBondContact NH1-OE2 3.25Å |
| 319 | D | 90.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | trans | -66.8 | 144.8 | -179.3 | -159.5 | -90.1 | 0 | 0 | 0 | 112.1 | R283 R315 A317 R321 V324 H325 | R283-D319 WeakPolarHBondContact CD-OD2 3.31Å; R283-D319 IonicContact CZ-OD2 2.74Å; R283-D319 IonicContact NE-OD2 2.74Å; R283-D319 IonicContact NH1-OD2 3.67Å; R283-D319 PolarHBondContact NH1-OD2 3.05Å; R315-D319 PolarHBondContact O-N 3.28Å; A317-D319 PolarHBondContact O-N 3.41Å; A317-D319 VanDerWaalsContact O-N 3.09Å; D319-R321 VanDerWaalsContact OD1-CB 3.23Å; D319-R321 WeakPolarHBondContact OD1-CB 3.43Å; D319-R321 IonicContact OD1-CZ 2.73Å; D319-R321 PolarHBondContact OD1-N 2.65Å; D319-R321 IonicContact OD1-NE 3.07Å; D319-R321 PolarHBondContact OD1-NE 3.33Å; D319-R321 IonicContact OD1-NH2 3.74Å; D319-R321 PolarHBondContact OD1-NH2 3.09Å; D319-R321 IonicContact OD2-CZ 2.66Å; D319-R321 IonicContact OD2-NE 3.55Å; D319-R321 IonicContact OD2-NH2 2.65Å; D319-R321 PolarHBondContact OD2-NH2 3.24Å; D319-V324 HydrophobicContact CB-CB 4.05Å; D319-V324 HydrophobicContact CB-CG1 3.92Å; D319-V324 HydrophobicContact CB-CG2 4.2Å; D319-V324 WeakPolarHBondContact OD1-CG2 3.35Å; D319-H325 PolarHBondContact O-CE1 3.44Å; D319-H325 VanDerWaalsContact O-CE1 3.22Å; D319-H325 PolarHBondContact O-NE2 3.16Å | ||
| 320 | P | 87.5 | Confident | 89.9 | Confident | 116 Ų | 116 | 42.2 Ų | 42.2 | 75% | 0.753 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -79.7 | -11.8 | 175.7 | 29.9 | -35.5 | 0 | 0 | 0 | 114.7 | ||
| 321 | R | 89.1 | Confident | 89 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 28% | 0.275 | 23% | 0.227 | S | C | . | . | trans | -92.2 | 127.8 | -170.9 | -63.7 | 164 | -75.2 | -160.6 | -5.9 | 112.8 | D280 D319 E323 V324 H325 | D280-R321 PolarHBondContact O-NH1 3.13Å; D280-R321 PolarHBondContact O-NH2 2.96Å; D319-R321 VanDerWaalsContact OD1-CB 3.23Å; D319-R321 WeakPolarHBondContact OD1-CB 3.43Å; D319-R321 IonicContact OD1-CZ 2.73Å; D319-R321 PolarHBondContact OD1-N 2.65Å; D319-R321 IonicContact OD1-NE 3.07Å; D319-R321 PolarHBondContact OD1-NE 3.33Å; D319-R321 IonicContact OD1-NH2 3.74Å; D319-R321 PolarHBondContact OD1-NH2 3.09Å; D319-R321 IonicContact OD2-CZ 2.66Å; D319-R321 IonicContact OD2-NE 3.55Å; D319-R321 IonicContact OD2-NH2 2.65Å; D319-R321 PolarHBondContact OD2-NH2 3.24Å; R321-E323 HydrophobicContact CB-CG 4.1Å; R321-E323 PolarHBondContact O-N 2.9Å; R321-E323 VanDerWaalsContact O-N 3.15Å; R321-V324 HydrophobicContact CB-CG2 4.12Å; R321-V324 WeakPolarHBondContact O-CB 3.5Å; R321-V324 PolarHBondContact O-N 3.41Å; R321-H325 PolarHBondContact O-N 3.13Å | ||
| 322 | Q | 84.8 | Confident | 87.9 | Confident | 98 Ų | 98 | 49 Ų | 49 | 46% | 0.458 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.8 | -28.2 | -179.6 | -59.4 | -176 | -0 | 0 | 0 | 114 | V324 H325 S326 Y368 | Q322-V324 VanDerWaalsContact C-N 3.3Å; Q322-V324 PolarHBondContact O-N 2.96Å; Q322-H325 PolarHBondContact O-N 3.39Å; Q322-S326 PolarHBondContact O-N 3.31Å; Q322-S326 VanDerWaalsContact O-N 3.11Å; Q322-Y368 PolarHBondContact O-OH 3.04Å |
| 323 | E | 86.5 | Confident | 86.4 | Confident | 114 Ų | 114 | 54 Ų | 54 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 175.3 | 65 | -170.5 | 177.6 | 0 | 0 | 112 | P284 R321 S326 | P284-E323 HydrophobicContact CB-CG 4.19Å; P284-E323 WeakPolarHBondContact CB-OE1 3.4Å; R321-E323 HydrophobicContact CB-CG 4.1Å; R321-E323 PolarHBondContact O-N 2.9Å; R321-E323 VanDerWaalsContact O-N 3.15Å; E323-S326 WeakPolarHBondContact O-CB 3.24Å; E323-S326 PolarHBondContact O-N 2.89Å; E323-S326 PolarHBondContact O-OG 2.97Å |
| 324 | V | 89.3 | Confident | 85 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70 | -41.9 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | P284 A287 F316 D319 R321 Q322 S326 C327 | P284-V324 HydrophobicContact CB-CG2 4Å; P284-V324 HydrophobicContact CG-CG2 3.92Å; A287-V324 HydrophobicContact CB-CG1 3.96Å; F316-V324 HydrophobicContact CB-CG1 3.88Å; F316-V324 HydrophobicContact CD1-CG1 4.25Å; F316-V324 HydrophobicContact CG-CG1 4.27Å; F316-V324 WeakPolarHBondContact O-CG1 3.47Å; D319-V324 HydrophobicContact CB-CB 4.05Å; D319-V324 HydrophobicContact CB-CG1 3.92Å; D319-V324 HydrophobicContact CB-CG2 4.2Å; D319-V324 WeakPolarHBondContact OD1-CG2 3.35Å; R321-V324 HydrophobicContact CB-CG2 4.12Å; R321-V324 WeakPolarHBondContact O-CB 3.5Å; R321-V324 PolarHBondContact O-N 3.41Å; Q322-V324 VanDerWaalsContact C-N 3.3Å; Q322-V324 PolarHBondContact O-N 2.96Å; V324-S326 VanDerWaalsContact C-N 3.26Å; V324-S326 PolarHBondContact O-N 3.3Å; V324-C327 WeakPolarHBondContact O-CB 3.45Å; V324-C327 PolarHBondContact O-N 3.38Å |
| 325 | H | 88 | Confident | 84.2 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.023 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -36.4 | 176.4 | -54.7 | 146.5 | 0 | 0 | 0 | 112.4 | D319 R321 Q322 C327 L328 I362 L363 S366 Y368 | D319-H325 PolarHBondContact O-CE1 3.44Å; D319-H325 VanDerWaalsContact O-CE1 3.22Å; D319-H325 PolarHBondContact O-NE2 3.16Å; R321-H325 PolarHBondContact O-N 3.13Å; Q322-H325 PolarHBondContact O-N 3.39Å; H325-C327 PolarHBondContact O-N 3.26Å; H325-L328 WeakPolarHBondContact O-CB 3.38Å; H325-L328 PolarHBondContact O-N 2.96Å; H325-L328 VanDerWaalsContact O-N 3.13Å; H325-I362 VanDerWaalsContact CE1-CG2 3.4Å; H325-I362 WeakPolarHBondContact CE1-CG2 3.47Å; H325-I362 WeakPolarHBondContact NE2-CG2 3.45Å; H325-L363 HydrophobicContact CB-CD2 4.09Å; H325-S366 WeakPolarHBondContact ND1-CB 3.34Å; H325-Y368 HydrophobicContact CB-CE2 4.27Å |
| 326 | S | 86.3 | Confident | 83.4 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.6 | -26.4 | 175.4 | 86.3 | 0 | 0 | 0 | 0 | 112.8 | Q291 Q322 E323 V324 Y368 | Q291-S326 PolarHBondContact NE2-O 2.76Å; Q291-S326 VanDerWaalsContact NE2-O 3.09Å; Q322-S326 PolarHBondContact O-N 3.31Å; Q322-S326 VanDerWaalsContact O-N 3.11Å; E323-S326 WeakPolarHBondContact O-CB 3.24Å; E323-S326 PolarHBondContact O-N 2.89Å; E323-S326 PolarHBondContact O-OG 2.97Å; V324-S326 VanDerWaalsContact C-N 3.26Å; V324-S326 PolarHBondContact O-N 3.3Å; S326-Y368 WeakPolarHBondContact CB-OH 3.45Å; S326-Y368 PolarHBondContact N-OH 3.19Å |
| 327 | C | 88.5 | Confident | 83 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.054 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -77.2 | -19.7 | 178.6 | -64.9 | 0 | 0 | 0 | 0 | 114.2 | A287 Q291 V324 H325 L329 | A287-C327 HydrophobicContact CB-CB 3.79Å; Q291-C327 HydrophobicContact CB-CB 4.32Å; Q291-C327 VanDerWaalsContact CD-CA 3.47Å; Q291-C327 WeakPolarHBondContact CG-O 3.29Å; Q291-C327 PolarHBondContact NE2-O 3.42Å; V324-C327 WeakPolarHBondContact O-CB 3.45Å; V324-C327 PolarHBondContact O-N 3.38Å; H325-C327 PolarHBondContact O-N 3.26Å; C327-L329 VanDerWaalsContact C-N 3.34Å |
| 328 | L | 87.1 | Confident | 83 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.1 | -30.8 | 174.9 | -63 | 171.8 | 0 | 0 | 0 | 112.5 | I313 F316 A317 H325 W338 F339 M359 | I313-L328 HydrophobicContact CG2-CD2 3.87Å; F316-L328 HydrophobicContact CB-CD2 3.83Å; F316-L328 HydrophobicContact CD2-CD2 4.5Å; A317-L328 HydrophobicContact CB-CD1 4.37Å; H325-L328 WeakPolarHBondContact O-CB 3.38Å; H325-L328 PolarHBondContact O-N 2.96Å; H325-L328 VanDerWaalsContact O-N 3.13Å; L328-W338 HydrophobicContact CD2-CB 4.37Å; L328-W338 PolarHBondContact O-N 3.15Å; L328-F339 WeakPolarHBondContact O-CB 3.49Å; L328-F339 PolarHBondContact O-N 2.84Å; L328-M359 HydrophobicContact CD1-CG 4.11Å; L328-M359 HydrophobicContact CD1-SD 4.4Å; L328-M359 HydrophobicContact CD2-SD 4.04Å |
| 329 | L | 84.9 | Confident | 82.9 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -76.2 | 169.3 | 178.5 | -60.2 | 178.4 | 0 | 0 | 0 | 111.4 | Q291 C327 F339 L363 F373 | Q291-L329 PolarHBondContact NE2-O 2.84Å; C327-L329 VanDerWaalsContact C-N 3.34Å; L329-F339 HydrophobicContact CD2-CB 4.44Å; L329-F339 HydrophobicContact CD2-CG 4.35Å; L329-L363 HydrophobicContact CD1-CD2 4.22Å; L329-L363 HydrophobicContact CD2-CD1 3.89Å; L329-L363 HydrophobicContact CD2-CD2 4.26Å; L329-L363 HydrophobicContact CG-CD2 4.16Å; L329-F373 HydrophobicContact CD2-CE2 4.43Å |
| 330 | S | 79.1 | Confident | 82.7 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | trans | -80.2 | 141.4 | 176.5 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | R332 K335 | S330-R332 PolarHBondContact O-N 2.91Å; S330-R332 PolarHBondContact OG-O 3.41Å; S330-K335 WeakPolarHBondContact CB-O 3.42Å; S330-K335 PolarHBondContact OG-O 3.49Å | ||
| 331 | V | 75.3 | Confident | 82.8 | Confident | 80 Ų | 80 | 57.9 Ų | 57.9 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -66.9 | -27.2 | 179.2 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | Q291 P292 | Q291-V331 HydrophobicContact CG-CG2 3.54Å; P292-V331 HydrophobicContact CB-CG2 4Å |
| 332 | R | 71.8 | Confident | 82.8 | Confident | 182 Ų | 182 | 54.4 Ų | 54.4 | 69% | 0.687 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -145.1 | 146.3 | -177.2 | -59.9 | -173.7 | -174.1 | -178.4 | 1.7 | 109.7 | S330 G334 K335 | S330-R332 PolarHBondContact O-N 2.91Å; S330-R332 PolarHBondContact OG-O 3.41Å; R332-G334 PolarHBondContact O-N 3.34Å; R332-K335 PolarHBondContact O-N 3.27Å |
| 333 | A | 64.5 | Low | 83.1 | Confident | 105 Ų | 105 | 49.7 Ų | 49.7 | 87% | 0.868 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 137.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | K335 | A333-K335 VanDerWaalsContact C-N 3.33Å; A333-K335 PolarHBondContact O-N 3.29Å |
| 334 | G | 66.4 | Low | 83.1 | Confident | 91 Ų | 91 | 45 Ų | 45 | 94% | 0.938 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 7.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R332 | R332-G334 PolarHBondContact O-N 3.34Š|
| 335 | K | 77.3 | Confident | 82.7 | Confident | 134 Ų | 134 | 48.2 Ų | 48.2 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -111.7 | 144.2 | 163 | -72.9 | -161.7 | 172.2 | -163.1 | 0 | 110.4 | S330 R332 A333 | S330-K335 WeakPolarHBondContact CB-O 3.42Å; S330-K335 PolarHBondContact OG-O 3.49Å; R332-K335 PolarHBondContact O-N 3.27Å; A333-K335 VanDerWaalsContact C-N 3.33Å; A333-K335 PolarHBondContact O-N 3.29Å |
| 336 | D | 78.1 | Confident | 82.6 | Confident | 117 Ų | 117 | 49 Ų | 49 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | trans | -73.4 | 134.8 | 173.9 | -60.3 | -51.8 | 0 | 0 | 0 | 111.2 | Q340 | D336-Q340 HydrophobicContact CB-CB 4.05Š| ||
| 337 | G | 86.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | trans | -106 | -177.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F339 Q340 L341 | G337-F339 PolarHBondContact O-N 2.93Å; G337-Q340 PolarHBondContact O-N 2.83Å; G337-Q340 PolarHBondContact O-OE1 3.01Å; G337-L341 PolarHBondContact O-N 3.13Å; G337-L341 VanDerWaalsContact O-N 3.1Å | ||
| 338 | W | 90.8 | Very high | 82.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56 | -37.9 | 178.7 | -60.5 | 115.8 | 0 | 0 | 0 | 112.3 | L290 I293 F295 L309 I313 L328 Q340 L341 Y342 | L290-W338 HydrophobicContact CB-CZ2 4.18Å; L290-W338 WeakPolarHBondContact O-CZ2 3.5Å; L290-W338 PolarHBondContact O-NE1 3.39Å; I293-W338 HydrophobicContact CB-CH2 4.3Å; I293-W338 HydrophobicContact CB-CZ2 4.24Å; I293-W338 HydrophobicContact CD1-CD2 4.32Å; I293-W338 HydrophobicContact CD1-CE3 4.14Å; I293-W338 HydrophobicContact CD1-CZ3 4.3Å; I293-W338 HydrophobicContact CG1-CD2 4.05Å; I293-W338 HydrophobicContact CG1-CE3 4.21Å; I293-W338 HydrophobicContact CG1-CH2 4.08Å; I293-W338 HydrophobicContact CG1-CZ2 3.89Å; I293-W338 HydrophobicContact CG1-CZ3 4.24Å; I293-W338 HydrophobicContact CG2-CH2 3.71Å; I293-W338 HydrophobicContact CG2-CZ2 4.12Å; I293-W338 HydrophobicContact CG2-CZ3 4.14Å; F295-W338 AromaticContact CD2-CH2 3.77Å; F295-W338 HydrophobicContact CD2-CH2 3.77Å; F295-W338 HydrophobicContact CD2-CZ2 4.45Å; F295-W338 AromaticContact CE2-CH2 3.74Å; F295-W338 HydrophobicContact CE2-CH2 3.74Å; F295-W338 HydrophobicContact CE2-CZ2 4.22Å; L309-W338 HydrophobicContact CD2-CH2 3.69Å; L309-W338 HydrophobicContact CD2-CZ3 3.68Å; I313-W338 HydrophobicContact CD1-CB 4.49Å; I313-W338 HydrophobicContact CD1-CD2 3.49Å; I313-W338 VanDerWaalsContact CD1-CD2 3.49Å; I313-W338 HydrophobicContact CD1-CE3 3.73Å; I313-W338 HydrophobicContact CD1-CG 3.85Å; I313-W338 HydrophobicContact CD1-CH2 4.39Å; I313-W338 HydrophobicContact CD1-CZ2 4.22Å; I313-W338 HydrophobicContact CD1-CZ3 4.17Å; I313-W338 HydrophobicContact CG1-CD2 4.21Å; I313-W338 HydrophobicContact CG1-CE3 4.02Å; I313-W338 HydrophobicContact CG1-CZ3 4.5Å; I313-W338 HydrophobicContact CG2-CB 4.04Å; L328-W338 HydrophobicContact CD2-CB 4.37Å; L328-W338 PolarHBondContact O-N 3.15Å; W338-Q340 PolarHBondContact O-N 3.29Å; W338-L341 HydrophobicContact CE3-CD2 4.01Å; W338-L341 HydrophobicContact CZ3-CD2 3.89Å; W338-L341 PolarHBondContact O-N 3.26Å; W338-Y342 AromaticContact CE3-CE2 3.98Å; W338-Y342 HydrophobicContact CE3-CE2 3.98Å; W338-Y342 HydrophobicContact CZ3-CE2 4.41Å; W338-Y342 PolarHBondContact O-N 2.91Å; W338-Y342 VanDerWaalsContact O-N 3.16Å |
| 339 | F | 88.1 | Confident | 82.4 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.3 | -43.4 | 174 | -172.1 | -97.7 | 0 | 0 | 0 | 114.2 | L328 L329 G337 S343 F356 M359 V360 L363 F373 L377 K381 | L328-F339 WeakPolarHBondContact O-CB 3.49Å; L328-F339 PolarHBondContact O-N 2.84Å; L329-F339 HydrophobicContact CD2-CB 4.44Å; L329-F339 HydrophobicContact CD2-CG 4.35Å; G337-F339 PolarHBondContact O-N 2.93Å; F339-S343 PolarHBondContact O-N 3.49Å; F339-F356 HydrophobicContact CD1-CE2 4.36Å; F339-F356 HydrophobicContact CD2-CE2 4.42Å; F339-F356 AromaticContact CE1-CE2 3.73Å; F339-F356 HydrophobicContact CE1-CE2 3.73Å; F339-F356 HydrophobicContact CE1-CZ 4.39Å; F339-F356 HydrophobicContact CE2-CD2 4.21Å; F339-F356 AromaticContact CE2-CE2 3.81Å; F339-F356 HydrophobicContact CE2-CE2 3.81Å; F339-F356 HydrophobicContact CZ-CD2 4.25Å; F339-F356 AromaticContact CZ-CE2 3.41Å; F339-F356 HydrophobicContact CZ-CE2 3.41Å; F339-F356 VanDerWaalsContact CZ-CE2 3.41Å; F339-F356 AromaticContact CZ-CZ 3.91Å; F339-F356 HydrophobicContact CZ-CZ 3.91Å; F339-M359 HydrophobicContact CD2-CB 4.33Å; F339-M359 HydrophobicContact CD2-CE 4.43Å; F339-V360 HydrophobicContact CE2-CG2 3.39Å; F339-V360 HydrophobicContact CZ-CG2 3.61Å; F339-L363 HydrophobicContact CD2-CD1 3.65Å; F339-L363 HydrophobicContact CE2-CD1 3.73Å; F339-F373 HydrophobicContact CE2-CZ 4.28Å; F339-F373 HydrophobicContact CZ-CE2 4.48Å; F339-F373 HydrophobicContact CZ-CZ 4.19Å; F339-L377 HydrophobicContact CE1-CD1 4.17Å; F339-L377 HydrophobicContact CZ-CD1 3.75Å; F339-K381 HydrophobicContact CE1-CG 4.38Å |
| 340 | Q | 87.5 | Confident | 82.4 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.3 | -38.1 | 178.1 | -72 | 75.6 | 17.7 | 0 | 0 | 111.6 | D336 G337 W338 S343 | D336-Q340 HydrophobicContact CB-CB 4.05Å; G337-Q340 PolarHBondContact O-N 2.83Å; G337-Q340 PolarHBondContact O-OE1 3.01Å; W338-Q340 PolarHBondContact O-N 3.29Å; Q340-S343 PolarHBondContact O-N 3.15Å; Q340-S343 PolarHBondContact O-OG 2.74Å |
| 341 | L | 88.6 | Confident | 82.8 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | -174.4 | -164.6 | 81.2 | 0 | 0 | 0 | 112.9 | L300 G337 W338 G346 V347 A348 | L300-L341 HydrophobicContact CD1-CD1 4.43Å; L300-L341 HydrophobicContact CD2-CD2 3.94Å; G337-L341 PolarHBondContact O-N 3.13Å; G337-L341 VanDerWaalsContact O-N 3.1Å; W338-L341 HydrophobicContact CE3-CD2 4.01Å; W338-L341 HydrophobicContact CZ3-CD2 3.89Å; W338-L341 PolarHBondContact O-N 3.26Å; L341-G346 CarbonylContact O-C 3.38Å; L341-V347 HydrophobicContact CD1-CG2 3.6Å; L341-V347 HydrophobicContact CG-CG2 4.35Å; L341-A348 HydrophobicContact CD2-CB 3.74Å; L341-A348 HydrophobicContact CG-CB 3.67Å; L341-A348 PolarHBondContact O-N 2.97Å |
| 342 | Y | 90.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6 | 179.9 | -70.5 | -84.9 | 0 | 0 | 0 | 113.9 | T306 K310 I313 W338 A348 L355 | T306-Y342 PolarHBondContact O-OH 3.49Å; K310-Y342 HydrophobicContact CB-CE1 3.82Å; K310-Y342 HydrophobicContact CG-CD1 4.31Å; K310-Y342 HydrophobicContact CG-CE1 3.85Å; K310-Y342 PolarHBondContact N-OH 2.89Å; I313-Y342 HydrophobicContact CB-CE2 4.35Å; I313-Y342 HydrophobicContact CG1-CE2 3.82Å; I313-Y342 HydrophobicContact CG2-CD2 4.35Å; I313-Y342 HydrophobicContact CG2-CE2 4.42Å; W338-Y342 AromaticContact CE3-CE2 3.98Å; W338-Y342 HydrophobicContact CE3-CE2 3.98Å; W338-Y342 HydrophobicContact CZ3-CE2 4.41Å; W338-Y342 PolarHBondContact O-N 2.91Å; W338-Y342 VanDerWaalsContact O-N 3.16Å; Y342-A348 HydrophobicContact CD1-CB 3.76Å; Y342-A348 WeakPolarHBondContact CD1-O 3.43Å; Y342-A348 HydrophobicContact CD2-CB 4.35Å; Y342-A348 HydrophobicContact CE1-CB 3.56Å; Y342-A348 VanDerWaalsContact CE1-O 3.25Å; Y342-A348 WeakPolarHBondContact CE1-O 3.3Å; Y342-A348 HydrophobicContact CE2-CB 4.18Å; Y342-A348 HydrophobicContact CG-CB 4.15Å; Y342-L355 HydrophobicContact CD1-CD2 3.88Å; Y342-L355 HydrophobicContact CD2-CD2 4.32Å; Y342-L355 HydrophobicContact CE1-CD2 4.33Å; Y342-L355 HydrophobicContact CG-CD2 3.87Å |
| 343 | S | 89.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -67.7 | 151.1 | 172 | 67 | 0 | 0 | 0 | 0 | 111.6 | F339 Q340 G345 G346 C349 F356 K381 | F339-S343 PolarHBondContact O-N 3.49Å; Q340-S343 PolarHBondContact O-N 3.15Å; Q340-S343 PolarHBondContact O-OG 2.74Å; S343-G345 PolarHBondContact O-N 3.14Å; S343-G346 WeakPolarHBondContact O-CA 3.19Å; S343-G346 PolarHBondContact O-N 2.92Å; S343-C349 WeakPolarHBondContact O-CB 3.39Å; S343-F356 VanDerWaalsContact CA-CD2 3.49Å; S343-F356 VanDerWaalsContact CB-CD2 3.45Å; S343-K381 PolarHBondContact OG-NZ 3.04Å |
| 344 | P | 86.8 | Confident | 85.1 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 127.3 | 172.8 | -29.9 | 31.8 | 0 | 0 | 0 | 113.1 | G346 F356 P384 L387 L388 | P344-G346 VanDerWaalsContact C-N 3.3Å; P344-F356 HydrophobicContact CG-CD1 4.37Å; P344-P384 HydrophobicContact CB-CB 3.95Å; P344-P384 HydrophobicContact CB-CG 4.46Å; P344-P384 HydrophobicContact CG-CB 3.92Å; P344-L387 HydrophobicContact CB-CD2 4.37Å; P344-L388 HydrophobicContact CG-CD1 3.76Å; P344-L388 HydrophobicContact CG-CG 4.07Å |
| 345 | G | 81.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 70% | 0.701 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -0.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S343 | S343-G345 PolarHBondContact O-N 3.14Š|
| 346 | G | 84.8 | Confident | 87 | Confident | 20 Ų | 20 | 35.1 Ų | 35.1 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -79.9 | 152.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L341 S343 P344 A348 C349 | L341-G346 CarbonylContact O-C 3.38Å; S343-G346 WeakPolarHBondContact O-CA 3.19Å; S343-G346 PolarHBondContact O-N 2.92Å; P344-G346 VanDerWaalsContact C-N 3.3Å; G346-A348 PolarHBondContact O-N 3.01Å; G346-A348 VanDerWaalsContact O-N 3.09Å; G346-C349 WeakPolarHBondContact O-CB 3.48Å; G346-C349 PolarHBondContact O-N 3.17Å; G346-C349 VanDerWaalsContact O-N 3.1Å |
| 347 | V | 84.9 | Confident | 87.7 | Confident | 86 Ų | 86 | 29.7 Ų | 29.7 | 52% | 0.521 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.6 | -171.7 | -61.5 | 0 | 0 | 0 | 0 | 115.2 | L341 | L341-V347 HydrophobicContact CD1-CG2 3.6Å; L341-V347 HydrophobicContact CG-CG2 4.35Å |
| 348 | A | 86.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T306 L341 Y342 G346 D350 | T306-A348 HydrophobicContact CG2-CB 3.66Å; L341-A348 HydrophobicContact CD2-CB 3.74Å; L341-A348 HydrophobicContact CG-CB 3.67Å; L341-A348 PolarHBondContact O-N 2.97Å; Y342-A348 HydrophobicContact CD1-CB 3.76Å; Y342-A348 WeakPolarHBondContact CD1-O 3.43Å; Y342-A348 HydrophobicContact CD2-CB 4.35Å; Y342-A348 HydrophobicContact CE1-CB 3.56Å; Y342-A348 VanDerWaalsContact CE1-O 3.25Å; Y342-A348 WeakPolarHBondContact CE1-O 3.3Å; Y342-A348 HydrophobicContact CE2-CB 4.18Å; Y342-A348 HydrophobicContact CG-CB 4.15Å; G346-A348 PolarHBondContact O-N 3.01Å; G346-A348 VanDerWaalsContact O-N 3.09Å; A348-D350 PolarHBondContact O-N 3.36Å; A348-D350 VanDerWaalsContact O-N 3.17Å |
| 349 | C | 87.1 | Confident | 87.8 | Confident | 32 Ų | 32 | 31.3 Ų | 31.3 | 22% | 0.216 | 19% | 0.191 | C | C | . | . | trans | -79.2 | 96 | -177.9 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | S343 G346 | S343-C349 WeakPolarHBondContact O-CB 3.39Å; G346-C349 WeakPolarHBondContact O-CB 3.48Å; G346-C349 PolarHBondContact O-N 3.17Å; G346-C349 VanDerWaalsContact O-N 3.1Å | ||
| 350 | D | 86.3 | Confident | 87.9 | Confident | 61 Ų | 61 | 30.9 Ų | 30.9 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | trans | -100.9 | 0.7 | -177.9 | 80.9 | -28.1 | 0 | 0 | 0 | 114.6 | K307 K310 A348 | K307-D350 WeakPolarHBondContact CG-OD2 3.36Å; K310-D350 VanDerWaalsContact CD-OD1 3.3Å; K310-D350 WeakPolarHBondContact CD-OD1 3.37Å; K310-D350 WeakPolarHBondContact CE-OD1 3.44Å; K310-D350 IonicContact NZ-OD1 2.69Å; K310-D350 PolarHBondContact NZ-OD1 3.42Å; A348-D350 PolarHBondContact O-N 3.36Å; A348-D350 VanDerWaalsContact O-N 3.17Å | ||
| 351 | D | 85.6 | Confident | 87.9 | Confident | 19 Ų | 19 | 33.8 Ų | 33.8 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -134 | 29.5 | -161.4 | 66.7 | -8.4 | 0 | 0 | 0 | 114.5 | K310 G353 E354 L355 | K310-D351 WeakPolarHBondContact CE-OD2 3.28Å; K310-D351 IonicContact NZ-OD2 3.92Å; K310-D351 PolarHBondContact NZ-OD2 3.18Å; D351-G353 PolarHBondContact O-N 2.99Å; D351-G353 PolarHBondContact OD1-N 3Å; D351-G353 VanDerWaalsContact OD1-N 3.08Å; D351-E354 HydrophobicContact CB-CB 4.43Å; D351-E354 PolarHBondContact O-N 3.24Å; D351-E354 VanDerWaalsContact O-N 3.16Å; D351-E354 PolarHBondContact OD1-N 3.34Å; D351-L355 WeakPolarHBondContact OD2-CB 3.44Å; D351-L355 PolarHBondContact OD2-N 2.95Å |
| 352 | D | 84.2 | Confident | 87.8 | Confident | 99 Ų | 99 | 34.8 Ų | 34.8 | 53% | 0.529 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 10.7 | -178.8 | -83 | -49.4 | 0 | 0 | 0 | 114.9 | L388 R391 | D352-L388 VanDerWaalsContact O-CD2 3.23Å; D352-L388 WeakPolarHBondContact O-CD2 3.29Å; D352-R391 PolarHBondContact O-NH1 3.03Å; D352-R391 IonicContact OD1-CZ 3.8Å; D352-R391 IonicContact OD1-NH1 3.33Å; D352-R391 PolarHBondContact OD1-NH1 2.87Å; D352-R391 IonicContact OD1-NH2 2.83Å; D352-R391 PolarHBondContact OD1-NH2 2.84Å |
| 353 | G | 87.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | 14.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D351 F356 A357 | D351-G353 PolarHBondContact O-N 2.99Å; D351-G353 PolarHBondContact OD1-N 3Å; D351-G353 VanDerWaalsContact OD1-N 3.08Å; G353-F356 WeakPolarHBondContact O-CB 3.3Å; G353-F356 PolarHBondContact O-N 3.29Å; G353-A357 PolarHBondContact O-N 2.93Å |
| 354 | E | 89.9 | Confident | 87.1 | Confident | 143 Ų | 143 | 36.7 Ų | 36.7 | 67% | 0.668 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.5 | -49.7 | 178.8 | -73.8 | -174.8 | 166.9 | 0 | 0 | 113 | D351 F356 A357 S358 | D351-E354 HydrophobicContact CB-CB 4.43Å; D351-E354 PolarHBondContact O-N 3.24Å; D351-E354 VanDerWaalsContact O-N 3.16Å; D351-E354 PolarHBondContact OD1-N 3.34Å; E354-F356 VanDerWaalsContact C-N 3.28Å; E354-F356 PolarHBondContact O-N 3.41Å; E354-A357 PolarHBondContact O-N 3.2Å; E354-A357 VanDerWaalsContact O-N 3.13Å; E354-S358 PolarHBondContact O-N 2.89Å |
| 355 | L | 91.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -38.3 | 176.4 | 175.5 | 59.5 | 0 | 0 | 0 | 111.7 | K310 I313 Q314 A317 Y342 D351 A357 S358 M359 | K310-L355 HydrophobicContact CG-CD2 3.57Å; I313-L355 HydrophobicContact CB-CD2 4.19Å; I313-L355 HydrophobicContact CG2-CD2 4.08Å; Q314-L355 HydrophobicContact CB-CD1 3.92Å; Q314-L355 HydrophobicContact CG-CD1 4.38Å; A317-L355 HydrophobicContact CB-CD1 4.47Å; Y342-L355 HydrophobicContact CD1-CD2 3.88Å; Y342-L355 HydrophobicContact CD2-CD2 4.32Å; Y342-L355 HydrophobicContact CE1-CD2 4.33Å; Y342-L355 HydrophobicContact CG-CD2 3.87Å; D351-L355 WeakPolarHBondContact OD2-CB 3.44Å; D351-L355 PolarHBondContact OD2-N 2.95Å; L355-A357 VanDerWaalsContact C-N 3.34Å; L355-A357 PolarHBondContact O-N 3.26Å; L355-S358 PolarHBondContact O-N 3.25Å; L355-M359 HydrophobicContact CD1-CG 4.22Å; L355-M359 HydrophobicContact CG-CE 4.29Å; L355-M359 HydrophobicContact CG-CG 4.47Å; L355-M359 WeakPolarHBondContact O-CG 3.33Å; L355-M359 PolarHBondContact O-N 3.4Å |
| 356 | F | 92.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 175 | 175.5 | -96.2 | 0 | 0 | 0 | 111.8 | F339 S343 P344 G353 E354 S358 M359 V360 L377 K381 P384 L388 M396 | F339-F356 HydrophobicContact CD1-CE2 4.36Å; F339-F356 HydrophobicContact CD2-CE2 4.42Å; F339-F356 AromaticContact CE1-CE2 3.73Å; F339-F356 HydrophobicContact CE1-CE2 3.73Å; F339-F356 HydrophobicContact CE1-CZ 4.39Å; F339-F356 HydrophobicContact CE2-CD2 4.21Å; F339-F356 AromaticContact CE2-CE2 3.81Å; F339-F356 HydrophobicContact CE2-CE2 3.81Å; F339-F356 HydrophobicContact CZ-CD2 4.25Å; F339-F356 AromaticContact CZ-CE2 3.41Å; F339-F356 HydrophobicContact CZ-CE2 3.41Å; F339-F356 VanDerWaalsContact CZ-CE2 3.41Å; F339-F356 AromaticContact CZ-CZ 3.91Å; F339-F356 HydrophobicContact CZ-CZ 3.91Å; S343-F356 VanDerWaalsContact CA-CD2 3.49Å; S343-F356 VanDerWaalsContact CB-CD2 3.45Å; P344-F356 HydrophobicContact CG-CD1 4.37Å; G353-F356 WeakPolarHBondContact O-CB 3.3Å; G353-F356 PolarHBondContact O-N 3.29Å; E354-F356 VanDerWaalsContact C-N 3.28Å; E354-F356 PolarHBondContact O-N 3.41Å; F356-S358 PolarHBondContact O-N 2.63Å; F356-M359 HydrophobicContact CB-CE 4.4Å; F356-M359 HydrophobicContact CD2-CE 4.47Å; F356-M359 PolarHBondContact O-N 3.4Å; F356-V360 HydrophobicContact CD1-CG2 4.22Å; F356-V360 HydrophobicContact CD2-CG2 4.38Å; F356-V360 HydrophobicContact CE1-CG2 3.89Å; F356-V360 HydrophobicContact CE2-CG2 4.06Å; F356-V360 HydrophobicContact CG-CG2 4.47Å; F356-V360 HydrophobicContact CZ-CG2 3.8Å; F356-V360 WeakPolarHBondContact O-CB 3.43Å; F356-V360 VanDerWaalsContact O-CG2 3.29Å; F356-V360 WeakPolarHBondContact O-CG2 3.25Å; F356-V360 PolarHBondContact O-N 2.94Å; F356-L377 HydrophobicContact CZ-CD1 4.2Å; F356-K381 HydrophobicContact CZ-CB 4.38Å; F356-P384 HydrophobicContact CE1-CB 4.42Å; F356-L388 HydrophobicContact CD1-CD1 3.56Å; F356-L388 HydrophobicContact CE1-CD1 4.13Å; F356-M396 HydrophobicContact CD1-CE 3.67Å; F356-M396 HydrophobicContact CE1-CE 3.57Å; F356-M396 HydrophobicContact CE1-SD 4.29Å |
| 357 | A | 91.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G353 E354 L355 V360 H361 L388 N393 M396 | G353-A357 PolarHBondContact O-N 2.93Å; E354-A357 PolarHBondContact O-N 3.2Å; E354-A357 VanDerWaalsContact O-N 3.13Å; L355-A357 VanDerWaalsContact C-N 3.34Å; L355-A357 PolarHBondContact O-N 3.26Å; A357-V360 PolarHBondContact O-N 3.19Å; A357-H361 WeakPolarHBondContact O-CB 3.44Å; A357-H361 PolarHBondContact O-N 3.08Å; A357-L388 HydrophobicContact CB-CD1 4.49Å; A357-N393 VanDerWaalsContact CB-ND2 3.25Å; A357-N393 WeakPolarHBondContact CB-ND2 3.34Å; A357-M396 HydrophobicContact CB-CE 3.96Å |
| 358 | S | 90.2 | Very high | 83.3 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -49.7 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | E354 L355 F356 V360 H361 I362 | E354-S358 PolarHBondContact O-N 2.89Å; L355-S358 PolarHBondContact O-N 3.25Å; F356-S358 PolarHBondContact O-N 2.63Å; S358-V360 VanDerWaalsContact C-N 3.3Å; S358-V360 PolarHBondContact O-N 3.27Å; S358-H361 PolarHBondContact O-N 2.79Å; S358-I362 WeakPolarHBondContact O-CG1 3.43Å; S358-I362 PolarHBondContact O-N 3.3Å |
| 359 | M | 90.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.3 | -44.8 | 175.1 | -71.3 | -169.9 | -67.3 | 0 | 0 | 111.7 | I313 A317 L328 F339 L355 F356 I362 L363 | I313-M359 HydrophobicContact CG2-SD 4.12Å; A317-M359 HydrophobicContact CB-CG 3.95Å; L328-M359 HydrophobicContact CD1-CG 4.11Å; L328-M359 HydrophobicContact CD1-SD 4.4Å; L328-M359 HydrophobicContact CD2-SD 4.04Å; F339-M359 HydrophobicContact CD2-CB 4.33Å; F339-M359 HydrophobicContact CD2-CE 4.43Å; L355-M359 HydrophobicContact CD1-CG 4.22Å; L355-M359 HydrophobicContact CG-CE 4.29Å; L355-M359 HydrophobicContact CG-CG 4.47Å; L355-M359 WeakPolarHBondContact O-CG 3.33Å; L355-M359 PolarHBondContact O-N 3.4Å; F356-M359 HydrophobicContact CB-CE 4.4Å; F356-M359 HydrophobicContact CD2-CE 4.47Å; F356-M359 PolarHBondContact O-N 3.4Å; M359-I362 PolarHBondContact O-N 3.19Å; M359-L363 VanDerWaalsContact O-CB 3.3Å; M359-L363 WeakPolarHBondContact O-CB 3.42Å; M359-L363 WeakPolarHBondContact O-CD1 3.43Å; M359-L363 WeakPolarHBondContact O-CG 3.44Å; M359-L363 PolarHBondContact O-N 3.27Å |
| 360 | V | 89.1 | Confident | 82 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 179.8 | 166.5 | 0 | 0 | 0 | 0 | 112.2 | F339 F356 A357 S358 I362 L363 M364 T395 M396 I399 | F339-V360 HydrophobicContact CE2-CG2 3.39Å; F339-V360 HydrophobicContact CZ-CG2 3.61Å; F356-V360 HydrophobicContact CD1-CG2 4.22Å; F356-V360 HydrophobicContact CD2-CG2 4.38Å; F356-V360 HydrophobicContact CE1-CG2 3.89Å; F356-V360 HydrophobicContact CE2-CG2 4.06Å; F356-V360 HydrophobicContact CG-CG2 4.47Å; F356-V360 HydrophobicContact CZ-CG2 3.8Å; F356-V360 WeakPolarHBondContact O-CB 3.43Å; F356-V360 VanDerWaalsContact O-CG2 3.29Å; F356-V360 WeakPolarHBondContact O-CG2 3.25Å; F356-V360 PolarHBondContact O-N 2.94Å; A357-V360 PolarHBondContact O-N 3.19Å; S358-V360 VanDerWaalsContact C-N 3.3Å; S358-V360 PolarHBondContact O-N 3.27Å; V360-I362 VanDerWaalsContact C-N 3.27Å; V360-I362 PolarHBondContact O-N 3.11Å; V360-L363 PolarHBondContact O-N 2.92Å; V360-M364 WeakPolarHBondContact O-CG 3.37Å; V360-M364 PolarHBondContact O-N 3.12Å; V360-T395 HydrophobicContact CG1-CG2 4.26Å; V360-M396 HydrophobicContact CB-CE 3.67Å; V360-M396 HydrophobicContact CG1-CE 3.69Å; V360-M396 HydrophobicContact CG1-SD 4.33Å; V360-M396 HydrophobicContact CG2-CE 3.86Å; V360-I399 HydrophobicContact CG1-CD1 3.03Å |
| 361 | H | 88.2 | Confident | 81.7 | Confident | 102 Ų | 102 | 50.7 Ų | 50.7 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55 | -45.5 | 175.9 | -176.6 | 79.1 | 0 | 0 | 0 | 111.3 | A357 S358 M364 G365 T395 | A357-H361 WeakPolarHBondContact O-CB 3.44Å; A357-H361 PolarHBondContact O-N 3.08Å; S358-H361 PolarHBondContact O-N 2.79Å; H361-M364 WeakPolarHBondContact O-CB 3.44Å; H361-M364 PolarHBondContact O-N 3.27Å; H361-G365 PolarHBondContact O-N 2.86Å; H361-G365 VanDerWaalsContact O-N 3.13Å; H361-T395 HydrophobicContact CB-CG2 3.75Å; H361-T395 PolarHBondContact ND1-OG1 2.93Å |
| 362 | I | 86.2 | Confident | 81.5 | Confident | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.185 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -81.1 | -32.3 | -173.2 | -60.3 | 173.2 | 0 | 0 | 0 | 111.6 | A317 H325 S358 M359 V360 M364 G365 S366 | A317-I362 HydrophobicContact CB-CD1 4.48Å; A317-I362 WeakPolarHBondContact O-CD1 3.37Å; A317-I362 WeakPolarHBondContact O-CG2 3.42Å; H325-I362 VanDerWaalsContact CE1-CG2 3.4Å; H325-I362 WeakPolarHBondContact CE1-CG2 3.47Å; H325-I362 WeakPolarHBondContact NE2-CG2 3.45Å; S358-I362 WeakPolarHBondContact O-CG1 3.43Å; S358-I362 PolarHBondContact O-N 3.3Å; M359-I362 PolarHBondContact O-N 3.19Å; V360-I362 VanDerWaalsContact C-N 3.27Å; V360-I362 PolarHBondContact O-N 3.11Å; I362-M364 VanDerWaalsContact C-N 3.25Å; I362-M364 PolarHBondContact O-N 2.96Å; I362-G365 PolarHBondContact O-N 2.9Å; I362-S366 WeakPolarHBondContact O-CB 3.45Å; I362-S366 PolarHBondContact O-N 3.4Å; I362-S366 PolarHBondContact O-OG 2.96Å |
| 363 | L | 84.2 | Confident | 81.5 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -23.9 | 169 | -73.9 | 166.4 | 0 | 0 | 0 | 113.3 | H325 L329 F339 M359 V360 S366 Y368 F373 | H325-L363 HydrophobicContact CB-CD2 4.09Å; L329-L363 HydrophobicContact CD1-CD2 4.22Å; L329-L363 HydrophobicContact CD2-CD1 3.89Å; L329-L363 HydrophobicContact CD2-CD2 4.26Å; L329-L363 HydrophobicContact CG-CD2 4.16Å; F339-L363 HydrophobicContact CD2-CD1 3.65Å; F339-L363 HydrophobicContact CE2-CD1 3.73Å; M359-L363 VanDerWaalsContact O-CB 3.3Å; M359-L363 WeakPolarHBondContact O-CB 3.42Å; M359-L363 WeakPolarHBondContact O-CD1 3.43Å; M359-L363 WeakPolarHBondContact O-CG 3.44Å; M359-L363 PolarHBondContact O-N 3.27Å; V360-L363 PolarHBondContact O-N 2.92Å; L363-S366 WeakPolarHBondContact CA-OG 3.42Å; L363-Y368 HydrophobicContact CD2-CD2 4.49Å; L363-Y368 HydrophobicContact CD2-CE2 4.2Å; L363-F373 HydrophobicContact CB-CE1 4.12Å; L363-F373 HydrophobicContact CB-CE2 4.03Å; L363-F373 HydrophobicContact CB-CZ 3.69Å; L363-F373 HydrophobicContact CD1-CE2 4.05Å; L363-F373 HydrophobicContact CD1-CZ 4.03Å; L363-F373 HydrophobicContact CG-CZ 4.49Å |
| 364 | M | 81.8 | Confident | 81.6 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -79.3 | -36 | 171 | -76.4 | -69.7 | -66.2 | 0 | 0 | 113 | V360 H361 I362 T370 F373 L374 I399 L402 | V360-M364 WeakPolarHBondContact O-CG 3.37Å; V360-M364 PolarHBondContact O-N 3.12Å; H361-M364 WeakPolarHBondContact O-CB 3.44Å; H361-M364 PolarHBondContact O-N 3.27Å; I362-M364 VanDerWaalsContact C-N 3.25Å; I362-M364 PolarHBondContact O-N 2.96Å; M364-T370 HydrophobicContact CE-CG2 3.55Å; M364-T370 HydrophobicContact SD-CG2 3.95Å; M364-F373 HydrophobicContact CG-CD1 4.23Å; M364-F373 HydrophobicContact CG-CE1 4.04Å; M364-F373 HydrophobicContact SD-CD1 3.67Å; M364-F373 HydrophobicContact SD-CE1 4.03Å; M364-L374 HydrophobicContact CE-CD2 4.08Å; M364-L374 HydrophobicContact CE-CG 4.48Å; M364-L374 HydrophobicContact SD-CD2 3.85Å; M364-L374 HydrophobicContact SD-CG 4.27Å; M364-I399 HydrophobicContact CE-CG1 4.22Å; M364-I399 HydrophobicContact CG-CD1 3.8Å; M364-I399 HydrophobicContact CG-CG1 4.14Å; M364-I399 HydrophobicContact SD-CD1 4.49Å; M364-I399 HydrophobicContact SD-CG1 4.4Å; M364-L402 HydrophobicContact CE-CD1 3.52Å |
| 365 | G | 74.4 | Confident | 81.4 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 67% | 0.67 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -79.5 | -33.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H361 I362 | H361-G365 PolarHBondContact O-N 2.86Å; H361-G365 VanDerWaalsContact O-N 3.13Å; I362-G365 PolarHBondContact O-N 2.9Å |
| 366 | S | 69.1 | Low | 81.1 | Confident | 8 Ų | 8 | 52 Ų | 52 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -68.1 | 141 | 169.6 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | H325 I362 L363 Y368 | H325-S366 WeakPolarHBondContact ND1-CB 3.34Å; I362-S366 WeakPolarHBondContact O-CB 3.45Å; I362-S366 PolarHBondContact O-N 3.4Å; I362-S366 PolarHBondContact O-OG 2.96Å; L363-S366 WeakPolarHBondContact CA-OG 3.42Å; S366-Y368 PolarHBondContact O-N 3.49Å; S366-Y368 WeakPolarHBondContact OG-CD2 3.21Å; S366-Y368 VanDerWaalsContact OG-CE2 3.3Å; S366-Y368 WeakPolarHBondContact OG-CE2 3.3Å |
| 367 | C | 56.1 | Low | 80.8 | Confident | 106 Ų | 106 | 52.1 Ų | 52.1 | 72% | 0.716 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -75.5 | 38.9 | -162.6 | -55.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 368 | Y | 57.4 | Low | 80.6 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 28% | 0.275 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -62.2 | 154.8 | 164.7 | -63.7 | -72.8 | 0 | 0 | 0 | 110.4 | Q322 H325 S326 L363 S366 T370 | Q322-Y368 PolarHBondContact O-OH 3.04Å; H325-Y368 HydrophobicContact CB-CE2 4.27Å; S326-Y368 WeakPolarHBondContact CB-OH 3.45Å; S326-Y368 PolarHBondContact N-OH 3.19Å; L363-Y368 HydrophobicContact CD2-CD2 4.49Å; L363-Y368 HydrophobicContact CD2-CE2 4.2Å; S366-Y368 PolarHBondContact O-N 3.49Å; S366-Y368 WeakPolarHBondContact OG-CD2 3.21Å; S366-Y368 VanDerWaalsContact OG-CE2 3.3Å; S366-Y368 WeakPolarHBondContact OG-CE2 3.3Å; Y368-T370 VanDerWaalsContact C-N 3.34Å; Y368-T370 PolarHBondContact O-N 2.81Å |
| 369 | K | 67.7 | Low | 80.3 | Confident | 170 Ų | 170 | 58 Ų | 58 | 74% | 0.739 | 31% | 0.307 | S | S | * | . | trans | -62.2 | 94.1 | 176.4 | -64.1 | 176.1 | -179.3 | -178.8 | 0 | 108.3 | K371 K372 F373 | K369-K371 VanDerWaalsContact C-N 3.28Å; K369-K371 PolarHBondContact O-N 3.44Å; K369-K371 VanDerWaalsContact O-N 3.13Å; K369-K372 HydrophobicContact CB-CB 3.91Å; K369-K372 WeakPolarHBondContact O-CA 3.39Å; K369-K372 WeakPolarHBondContact O-CB 3.32Å; K369-K372 PolarHBondContact O-N 3.21Å; K369-F373 PolarHBondContact O-N 3.35Å; K369-F373 VanDerWaalsContact O-N 3.11Å | ||
| 370 | T | 77.9 | Confident | 79.9 | Confident | 55 Ų | 55 | 63 Ų | 63 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -50.8 | -46.4 | -167.3 | -42.2 | 0 | 0 | 0 | 0 | 112 | M364 Y368 K372 F373 L374 | M364-T370 HydrophobicContact CE-CG2 3.55Å; M364-T370 HydrophobicContact SD-CG2 3.95Å; Y368-T370 VanDerWaalsContact C-N 3.34Å; Y368-T370 PolarHBondContact O-N 2.81Å; T370-K372 VanDerWaalsContact C-N 3.32Å; T370-K372 PolarHBondContact O-N 3.06Å; T370-F373 PolarHBondContact O-N 3.17Å; T370-F373 VanDerWaalsContact O-N 3.15Å; T370-L374 HydrophobicContact CG2-CD1 4.2Å; T370-L374 HydrophobicContact CG2-CG 4.44Å; T370-L374 WeakPolarHBondContact O-CB 3.31Å; T370-L374 WeakPolarHBondContact O-CG 3.43Å; T370-L374 PolarHBondContact O-N 3.09Å |
| 371 | K | 81.2 | Confident | 79.7 | Confident | 105 Ų | 105 | 65 Ų | 65 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.8 | -38.1 | 174.2 | 179.3 | 148 | -172.8 | 154.7 | 0 | 113.8 | K369 L375 Y406 I408 | K369-K371 VanDerWaalsContact C-N 3.28Å; K369-K371 PolarHBondContact O-N 3.44Å; K369-K371 VanDerWaalsContact O-N 3.13Å; K371-L375 HydrophobicContact CG-CD1 4.2Å; K371-L375 WeakPolarHBondContact O-CB 3.39Å; K371-L375 WeakPolarHBondContact O-CD1 3.4Å; K371-L375 VanDerWaalsContact O-CG 3.25Å; K371-L375 WeakPolarHBondContact O-CG 3.38Å; K371-L375 PolarHBondContact O-N 3.34Å; K371-Y406 PolarHBondContact NZ-O 3.35Å; K371-I408 HydrophobicContact CB-CD1 4.35Å; K371-I408 HydrophobicContact CD-CD1 3.99Å; K371-I408 HydrophobicContact CG-CD1 3.67Å |
| 372 | K | 82.3 | Confident | 79.7 | Confident | 151 Ų | 151 | 61.2 Ų | 61.2 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70.4 | -39.5 | 176.3 | -169.8 | -173.2 | 176 | -171.2 | 0 | 112 | K369 T370 S376 | K369-K372 HydrophobicContact CB-CB 3.91Å; K369-K372 WeakPolarHBondContact O-CA 3.39Å; K369-K372 WeakPolarHBondContact O-CB 3.32Å; K369-K372 PolarHBondContact O-N 3.21Å; T370-K372 VanDerWaalsContact C-N 3.32Å; T370-K372 PolarHBondContact O-N 3.06Å; K372-S376 PolarHBondContact O-N 2.81Å |
| 373 | F | 84 | Confident | 79.8 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 176.1 | -179.8 | -107.4 | 0 | 0 | 0 | 111 | L329 F339 L363 M364 K369 T370 L375 S376 L377 | L329-F373 HydrophobicContact CD2-CE2 4.43Å; F339-F373 HydrophobicContact CE2-CZ 4.28Å; F339-F373 HydrophobicContact CZ-CE2 4.48Å; F339-F373 HydrophobicContact CZ-CZ 4.19Å; L363-F373 HydrophobicContact CB-CE1 4.12Å; L363-F373 HydrophobicContact CB-CE2 4.03Å; L363-F373 HydrophobicContact CB-CZ 3.69Å; L363-F373 HydrophobicContact CD1-CE2 4.05Å; L363-F373 HydrophobicContact CD1-CZ 4.03Å; L363-F373 HydrophobicContact CG-CZ 4.49Å; M364-F373 HydrophobicContact CG-CD1 4.23Å; M364-F373 HydrophobicContact CG-CE1 4.04Å; M364-F373 HydrophobicContact SD-CD1 3.67Å; M364-F373 HydrophobicContact SD-CE1 4.03Å; K369-F373 PolarHBondContact O-N 3.35Å; K369-F373 VanDerWaalsContact O-N 3.11Å; T370-F373 PolarHBondContact O-N 3.17Å; T370-F373 VanDerWaalsContact O-N 3.15Å; F373-L375 VanDerWaalsContact C-N 3.35Å; F373-L375 PolarHBondContact O-N 3.35Å; F373-S376 WeakPolarHBondContact O-CB 3.29Å; F373-S376 PolarHBondContact O-N 3.38Å; F373-S376 VanDerWaalsContact O-N 3.17Å; F373-L377 HydrophobicContact CE1-CD2 4.42Å; F373-L377 WeakPolarHBondContact O-CB 3.43Å; F373-L377 PolarHBondContact O-N 3.05Å |
| 374 | L | 87.6 | Confident | 80 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 174.2 | -68.3 | 175.2 | 0 | 0 | 0 | 112.5 | M364 T370 L377 A378 I399 L402 M403 Y406 I408 | M364-L374 HydrophobicContact CE-CD2 4.08Å; M364-L374 HydrophobicContact CE-CG 4.48Å; M364-L374 HydrophobicContact SD-CD2 3.85Å; M364-L374 HydrophobicContact SD-CG 4.27Å; T370-L374 HydrophobicContact CG2-CD1 4.2Å; T370-L374 HydrophobicContact CG2-CG 4.44Å; T370-L374 WeakPolarHBondContact O-CB 3.31Å; T370-L374 WeakPolarHBondContact O-CG 3.43Å; T370-L374 PolarHBondContact O-N 3.09Å; L374-L377 PolarHBondContact O-N 2.96Å; L374-A378 WeakPolarHBondContact O-CB 3.47Å; L374-A378 PolarHBondContact O-N 2.96Å; L374-I399 HydrophobicContact CD2-CG2 3.86Å; L374-L402 HydrophobicContact CD1-CB 4.17Å; L374-M403 HydrophobicContact CD2-CE 4.21Å; L374-M403 HydrophobicContact CD2-CG 4.15Å; L374-Y406 HydrophobicContact CD1-CD2 3.91Å; L374-Y406 HydrophobicContact CD1-CE2 4.49Å; L374-I408 HydrophobicContact CB-CD1 4.05Å; L374-I408 HydrophobicContact CB-CG1 4.01Å; L374-I408 HydrophobicContact CB-CG2 4.28Å; L374-I408 HydrophobicContact CD1-CD1 4.38Å; L374-I408 HydrophobicContact CD1-CG1 4.26Å |
| 375 | L | 86.5 | Confident | 80.4 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.6 | -51.3 | 172.1 | -78.3 | 163.1 | 0 | 0 | 0 | 111.5 | K371 F373 L377 A378 E379 I408 | K371-L375 HydrophobicContact CG-CD1 4.2Å; K371-L375 WeakPolarHBondContact O-CB 3.39Å; K371-L375 WeakPolarHBondContact O-CD1 3.4Å; K371-L375 VanDerWaalsContact O-CG 3.25Å; K371-L375 WeakPolarHBondContact O-CG 3.38Å; K371-L375 PolarHBondContact O-N 3.34Å; F373-L375 VanDerWaalsContact C-N 3.35Å; F373-L375 PolarHBondContact O-N 3.35Å; L375-L377 PolarHBondContact O-N 3.37Å; L375-A378 PolarHBondContact O-N 3.17Å; L375-E379 WeakPolarHBondContact O-CB 3.33Å; L375-E379 WeakPolarHBondContact O-CG 3.47Å; L375-E379 PolarHBondContact O-N 3.21Å; L375-I408 HydrophobicContact CD2-CG2 3.9Å; L375-I408 HydrophobicContact CG-CG2 4.1Å |
| 376 | S | 85.3 | Confident | 81.2 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 43% | 0.427 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.8 | -32.7 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | K372 F373 N380 | K372-S376 PolarHBondContact O-N 2.81Å; F373-S376 WeakPolarHBondContact O-CB 3.29Å; F373-S376 PolarHBondContact O-N 3.38Å; F373-S376 VanDerWaalsContact O-N 3.17Å; S376-N380 PolarHBondContact O-N 2.89Å; S376-N380 PolarHBondContact O-ND2 3.14Å |
| 377 | L | 86.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.7 | -43.2 | 178 | -168 | 70.7 | 0 | 0 | 0 | 111.3 | F339 F356 F373 L374 L375 K381 L382 I399 M403 | F339-L377 HydrophobicContact CE1-CD1 4.17Å; F339-L377 HydrophobicContact CZ-CD1 3.75Å; F356-L377 HydrophobicContact CZ-CD1 4.2Å; F373-L377 HydrophobicContact CE1-CD2 4.42Å; F373-L377 WeakPolarHBondContact O-CB 3.43Å; F373-L377 PolarHBondContact O-N 3.05Å; L374-L377 PolarHBondContact O-N 2.96Å; L375-L377 PolarHBondContact O-N 3.37Å; L377-K381 HydrophobicContact CD1-CB 3.93Å; L377-K381 CarbonylContact O-C 3.57Å; L377-K381 VanDerWaalsContact O-C 3.26Å; L377-K381 WeakPolarHBondContact O-CA 3.35Å; L377-K381 PolarHBondContact O-N 3Å; L377-L382 PolarHBondContact O-N 3.2Å; L377-L382 VanDerWaalsContact O-N 3.13Å; L377-I399 HydrophobicContact CD2-CG2 3.69Å; L377-M403 HydrophobicContact CB-CE 3.91Å; L377-M403 HydrophobicContact CD2-CE 3.74Å; L377-M403 HydrophobicContact CG-CE 3.93Å |
| 378 | A | 86.1 | Confident | 83.8 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L374 L375 N380 L382 M403 I408 I409 | L374-A378 WeakPolarHBondContact O-CB 3.47Å; L374-A378 PolarHBondContact O-N 2.96Å; L375-A378 PolarHBondContact O-N 3.17Å; A378-N380 PolarHBondContact O-N 2.96Å; A378-L382 WeakPolarHBondContact O-CB 3.29Å; A378-M403 HydrophobicContact CB-CE 4.08Å; A378-M403 HydrophobicContact CB-SD 4.2Å; A378-I408 HydrophobicContact CB-CG2 3.96Å; A378-I409 HydrophobicContact CB-CD1 4.15Å; A378-I409 HydrophobicContact CB-CG1 4.01Å |
| 379 | E | 84.6 | Confident | 85.4 | Confident | 146 Ų | 146 | 50.2 Ų | 50.2 | 68% | 0.682 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 178.7 | -75.6 | 169.8 | -171 | 0 | 0 | 113.5 | L375 | L375-E379 WeakPolarHBondContact O-CB 3.33Å; L375-E379 WeakPolarHBondContact O-CG 3.47Å; L375-E379 PolarHBondContact O-N 3.21Å |
| 380 | N | 81.3 | Confident | 86.5 | Confident | 106 Ų | 106 | 43.4 Ų | 43.4 | 57% | 0.567 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -118.6 | -18.6 | -163.9 | -61 | -86 | 0 | 0 | 0 | 114.9 | S376 A378 | S376-N380 PolarHBondContact O-N 2.89Å; S376-N380 PolarHBondContact O-ND2 3.14Å; A378-N380 PolarHBondContact O-N 2.96Å |
| 381 | K | 85.4 | Confident | 87 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -146 | 20.7 | -167.3 | -64.7 | -65.8 | 170.5 | 178 | 0 | 114.1 | F339 S343 F356 L377 G383 P384 C385 | F339-K381 HydrophobicContact CE1-CG 4.38Å; S343-K381 PolarHBondContact OG-NZ 3.04Å; F356-K381 HydrophobicContact CZ-CB 4.38Å; L377-K381 HydrophobicContact CD1-CB 3.93Å; L377-K381 CarbonylContact O-C 3.57Å; L377-K381 VanDerWaalsContact O-C 3.26Å; L377-K381 WeakPolarHBondContact O-CA 3.35Å; L377-K381 PolarHBondContact O-N 3Å; K381-G383 PolarHBondContact O-N 3.01Å; K381-P384 HydrophobicContact CD-CG 4.17Å; K381-P384 WeakPolarHBondContact O-CD 3.36Å; K381-C385 PolarHBondContact O-N 3.35Å; K381-C385 PolarHBondContact O-SG 3.35Å |
| 382 | L | 88 | Confident | 87.3 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 177.7 | -179.9 | 60.5 | 0 | 0 | 0 | 112.9 | L377 A378 C385 M386 L400 M403 I409 T414 I418 | L377-L382 PolarHBondContact O-N 3.2Å; L377-L382 VanDerWaalsContact O-N 3.13Å; A378-L382 WeakPolarHBondContact O-CB 3.29Å; L382-C385 WeakPolarHBondContact O-CB 3.43Å; L382-C385 PolarHBondContact O-N 2.98Å; L382-M386 HydrophobicContact CD1-CG 4.18Å; L382-M386 HydrophobicContact CD1-SD 4.16Å; L382-M386 HydrophobicContact CD2-SD 4.29Å; L382-M386 HydrophobicContact CG-CG 4.35Å; L382-M386 HydrophobicContact CG-SD 3.8Å; L382-M386 WeakPolarHBondContact O-CG 3.47Å; L382-M386 PolarHBondContact O-N 3.23Å; L382-L400 HydrophobicContact CD1-CD2 3.77Å; L382-M403 HydrophobicContact CD1-SD 4.08Å; L382-I409 HydrophobicContact CD1-CD1 4.38Å; L382-I409 HydrophobicContact CD2-CD1 4.08Å; L382-T414 HydrophobicContact CD2-CG2 3.36Å; L382-I418 HydrophobicContact CD1-CD1 3.85Å; L382-I418 HydrophobicContact CD1-CG1 4.17Å; L382-I418 HydrophobicContact CD2-CD1 4.22Å |
| 383 | G | 88.2 | Confident | 87.7 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 27% | 0.268 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -54.7 | -52.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K381 C385 M386 L387 | K381-G383 PolarHBondContact O-N 3.01Å; G383-C385 VanDerWaalsContact C-N 3.29Å; G383-C385 PolarHBondContact O-N 3.47Å; G383-M386 PolarHBondContact O-N 2.86Å; G383-L387 PolarHBondContact O-N 3.13Å |
| 384 | P | 89 | Confident | 88 | Confident | 26 Ų | 26 | 41 Ų | 41 | 17% | 0.169 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52.3 | -38.9 | 170.1 | -33.3 | 37.3 | 0 | 0 | 0 | 115.3 | P344 F356 K381 L388 | P344-P384 HydrophobicContact CB-CB 3.95Å; P344-P384 HydrophobicContact CB-CG 4.46Å; P344-P384 HydrophobicContact CG-CB 3.92Å; F356-P384 HydrophobicContact CE1-CB 4.42Å; K381-P384 HydrophobicContact CD-CG 4.17Å; K381-P384 WeakPolarHBondContact O-CD 3.36Å; P384-L388 PolarHBondContact O-N 3.37Å; P384-L388 VanDerWaalsContact O-N 3.14Å |
| 385 | C | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.8 | -42.7 | 177 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | K381 L382 G383 L388 A389 M396 L400 | K381-C385 PolarHBondContact O-N 3.35Å; K381-C385 PolarHBondContact O-SG 3.35Å; L382-C385 WeakPolarHBondContact O-CB 3.43Å; L382-C385 PolarHBondContact O-N 2.98Å; G383-C385 VanDerWaalsContact C-N 3.29Å; G383-C385 PolarHBondContact O-N 3.47Å; C385-L388 PolarHBondContact O-N 3.13Å; C385-A389 WeakPolarHBondContact O-CB 3.25Å; C385-A389 PolarHBondContact O-N 3.36Å; C385-M396 HydrophobicContact CB-SD 3.85Å; C385-L400 HydrophobicContact CB-CD2 4.48Å |
| 386 | M | 90.8 | Very high | 88.5 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 175.7 | -69.3 | 169.2 | 66.6 | 0 | 0 | 111.9 | L382 G383 L388 A389 L390 L400 Q417 I418 T421 | L382-M386 HydrophobicContact CD1-CG 4.18Å; L382-M386 HydrophobicContact CD1-SD 4.16Å; L382-M386 HydrophobicContact CD2-SD 4.29Å; L382-M386 HydrophobicContact CG-CG 4.35Å; L382-M386 HydrophobicContact CG-SD 3.8Å; L382-M386 WeakPolarHBondContact O-CG 3.47Å; L382-M386 PolarHBondContact O-N 3.23Å; G383-M386 PolarHBondContact O-N 2.86Å; M386-L388 PolarHBondContact O-N 3.23Å; M386-A389 PolarHBondContact O-N 3.45Å; M386-L390 WeakPolarHBondContact O-CG 3.3Å; M386-L390 PolarHBondContact O-N 2.86Å; M386-L400 HydrophobicContact CG-CD1 4.28Å; M386-L400 HydrophobicContact CG-CD2 4.26Å; M386-Q417 HydrophobicContact CE-CB 3.9Å; M386-I418 HydrophobicContact SD-CG1 4.3Å; M386-T421 HydrophobicContact CB-CG2 4.11Å; M386-T421 VanDerWaalsContact CE-OG1 3.24Å; M386-T421 WeakPolarHBondContact CE-OG1 3.49Å; M386-T421 HydrophobicContact CG-CG2 4.38Å |
| 387 | L | 89.6 | Confident | 88.8 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 176.4 | 175.9 | 56.2 | 0 | 0 | 0 | 112.1 | L245 M246 P344 G383 L390 R391 | L245-L387 HydrophobicContact CB-CD1 4.47Å; L245-L387 VanDerWaalsContact O-CD1 3.23Å; L245-L387 WeakPolarHBondContact O-CD1 3.47Å; M246-L387 HydrophobicContact SD-CD1 3.72Å; P344-L387 HydrophobicContact CB-CD2 4.37Å; G383-L387 PolarHBondContact O-N 3.13Å; L387-L390 PolarHBondContact O-N 2.93Å; L387-R391 VanDerWaalsContact O-CG 3.32Å; L387-R391 WeakPolarHBondContact O-CG 3.42Å; L387-R391 PolarHBondContact O-N 3.45Å; L387-R391 VanDerWaalsContact O-N 3.09Å |
| 388 | L | 90 | Very high | 89.1 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.6 | -34 | 176.8 | -79.7 | 170 | 0 | 0 | 0 | 113 | P344 D352 F356 A357 P384 C385 M386 R391 G392 N393 M396 | P344-L388 HydrophobicContact CG-CD1 3.76Å; P344-L388 HydrophobicContact CG-CG 4.07Å; D352-L388 VanDerWaalsContact O-CD2 3.23Å; D352-L388 WeakPolarHBondContact O-CD2 3.29Å; F356-L388 HydrophobicContact CD1-CD1 3.56Å; F356-L388 HydrophobicContact CE1-CD1 4.13Å; A357-L388 HydrophobicContact CB-CD1 4.49Å; P384-L388 PolarHBondContact O-N 3.37Å; P384-L388 VanDerWaalsContact O-N 3.14Å; C385-L388 PolarHBondContact O-N 3.13Å; M386-L388 PolarHBondContact O-N 3.23Å; L388-R391 CarbonylContact O-C 3.57Å; L388-R391 PolarHBondContact O-N 3.06Å; L388-G392 PolarHBondContact O-N 3.32Å; L388-N393 HydrophobicContact CB-CB 4.15Å; L388-N393 WeakPolarHBondContact O-CB 3.24Å; L388-N393 PolarHBondContact O-N 2.97Å; L388-M396 HydrophobicContact CB-CB 4.2Å; L388-M396 HydrophobicContact CB-CG 3.64Å; L388-M396 HydrophobicContact CD1-CE 4.01Å; L388-M396 HydrophobicContact CD1-CG 4.19Å |
| 389 | A | 91.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C385 M386 R391 G392 M396 V397 L400 T421 | C385-A389 WeakPolarHBondContact O-CB 3.25Å; C385-A389 PolarHBondContact O-N 3.36Å; M386-A389 PolarHBondContact O-N 3.45Å; A389-R391 VanDerWaalsContact C-N 3.25Å; A389-R391 PolarHBondContact O-N 2.84Å; A389-G392 WeakPolarHBondContact O-CA 3.16Å; A389-G392 PolarHBondContact O-N 3.21Å; A389-M396 HydrophobicContact CB-CB 4.1Å; A389-V397 HydrophobicContact CB-CG2 4.02Å; A389-L400 HydrophobicContact CB-CD1 3.57Å; A389-T421 HydrophobicContact CB-CG2 4.04Å |
| 390 | L | 90.6 | Very high | 89.7 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -35.8 | 172.4 | -69.5 | 170.7 | 0 | 0 | 0 | 112.2 | I242 M246 M386 L387 G392 T421 | I242-L390 HydrophobicContact CG2-CD1 4Å; I242-L390 HydrophobicContact CG2-CD2 4.36Å; M246-L390 HydrophobicContact SD-CB 4.38Å; M386-L390 WeakPolarHBondContact O-CG 3.3Å; M386-L390 PolarHBondContact O-N 2.86Å; L387-L390 PolarHBondContact O-N 2.93Å; L390-G392 PolarHBondContact O-N 3.12Å; L390-T421 HydrophobicContact CD2-CG2 3.97Å; L390-T421 HydrophobicContact CG-CG2 3.91Å |
| 391 | R | 88.9 | Confident | 90.2 | Very high | 84 Ų | 84 | 26.9 Ų | 26.9 | 32% | 0.317 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 2.1 | 173.2 | -67.9 | 166.6 | 172.8 | -154.1 | -18 | 113.7 | D352 L387 L388 A389 | D352-R391 PolarHBondContact O-NH1 3.03Å; D352-R391 IonicContact OD1-CZ 3.8Å; D352-R391 IonicContact OD1-NH1 3.33Å; D352-R391 PolarHBondContact OD1-NH1 2.87Å; D352-R391 IonicContact OD1-NH2 2.83Å; D352-R391 PolarHBondContact OD1-NH2 2.84Å; L387-R391 VanDerWaalsContact O-CG 3.32Å; L387-R391 WeakPolarHBondContact O-CG 3.42Å; L387-R391 PolarHBondContact O-N 3.45Å; L387-R391 VanDerWaalsContact O-N 3.09Å; L388-R391 CarbonylContact O-C 3.57Å; L388-R391 PolarHBondContact O-N 3.06Å; A389-R391 VanDerWaalsContact C-N 3.25Å; A389-R391 PolarHBondContact O-N 2.84Å |
| 392 | G | 86.1 | Confident | 90.5 | Very high | 39 Ų | 39 | 27 Ų | 27 | 40% | 0.402 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 13.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L388 A389 L390 Q394 | L388-G392 PolarHBondContact O-N 3.32Å; A389-G392 WeakPolarHBondContact O-CA 3.16Å; A389-G392 PolarHBondContact O-N 3.21Å; L390-G392 PolarHBondContact O-N 3.12Å; G392-Q394 PolarHBondContact O-N 3.37Å |
| 393 | N | 90.3 | Very high | 90.6 | Very high | 42 Ų | 42 | 26 Ų | 26 | 23% | 0.225 | 15% | 0.145 | C | C | . | . | trans | -70.7 | 111.1 | 179.3 | -170.8 | -75.6 | 0 | 0 | 0 | 111.6 | A357 L388 T395 M396 V397 | A357-N393 VanDerWaalsContact CB-ND2 3.25Å; A357-N393 WeakPolarHBondContact CB-ND2 3.34Å; L388-N393 HydrophobicContact CB-CB 4.15Å; L388-N393 WeakPolarHBondContact O-CB 3.24Å; L388-N393 PolarHBondContact O-N 2.97Å; N393-T395 PolarHBondContact O-N 3.08Å; N393-T395 WeakPolarHBondContact OD1-CB 3.49Å; N393-T395 PolarHBondContact OD1-N 3.39Å; N393-M396 HydrophobicContact CB-CB 4.38Å; N393-M396 HydrophobicContact CB-CG 4.29Å; N393-M396 PolarHBondContact O-N 3.12Å; N393-M396 VanDerWaalsContact O-N 3.17Å; N393-M396 PolarHBondContact OD1-N 3.42Å; N393-V397 PolarHBondContact O-N 3.29Å; N393-V397 VanDerWaalsContact O-N 3.14Å | ||
| 394 | Q | 91.7 | Very high | 90.7 | Very high | 114 Ų | 114 | 25.5 Ų | 25.5 | 53% | 0.533 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.5 | -38.3 | -175.5 | -174.7 | -178.2 | -34.3 | 0 | 0 | 113.6 | G392 M396 V397 E398 | G392-Q394 PolarHBondContact O-N 3.37Å; Q394-M396 VanDerWaalsContact C-N 3.26Å; Q394-M396 PolarHBondContact O-N 3.33Å; Q394-V397 WeakPolarHBondContact O-CB 3.35Å; Q394-V397 PolarHBondContact O-N 2.74Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.46Å; Q394-E398 PolarHBondContact NE2-OE1 2.77Å; Q394-E398 WeakPolarHBondContact O-CG 3.1Å; Q394-E398 PolarHBondContact O-N 3.25Å |
| 395 | T | 90.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 15% | 0.153 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -38.9 | 178.8 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | V360 H361 N393 E398 I399 | V360-T395 HydrophobicContact CG1-CG2 4.26Å; H361-T395 HydrophobicContact CB-CG2 3.75Å; H361-T395 PolarHBondContact ND1-OG1 2.93Å; N393-T395 PolarHBondContact O-N 3.08Å; N393-T395 WeakPolarHBondContact OD1-CB 3.49Å; N393-T395 PolarHBondContact OD1-N 3.39Å; T395-E398 PolarHBondContact O-N 3.36Å; T395-I399 HydrophobicContact CG2-CD1 3.91Å; T395-I399 WeakPolarHBondContact O-CB 3.2Å; T395-I399 WeakPolarHBondContact O-CD1 3.23Å; T395-I399 VanDerWaalsContact O-CG1 3.29Å; T395-I399 WeakPolarHBondContact O-CG1 3.18Å; T395-I399 PolarHBondContact O-N 3.18Å |
| 396 | M | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.5 | -38.3 | 179.5 | -64.3 | -66.4 | 161.9 | 0 | 0 | 111.9 | F356 A357 V360 C385 L388 A389 N393 Q394 I399 L400 | F356-M396 HydrophobicContact CD1-CE 3.67Å; F356-M396 HydrophobicContact CE1-CE 3.57Å; F356-M396 HydrophobicContact CE1-SD 4.29Å; A357-M396 HydrophobicContact CB-CE 3.96Å; V360-M396 HydrophobicContact CB-CE 3.67Å; V360-M396 HydrophobicContact CG1-CE 3.69Å; V360-M396 HydrophobicContact CG1-SD 4.33Å; V360-M396 HydrophobicContact CG2-CE 3.86Å; C385-M396 HydrophobicContact CB-SD 3.85Å; L388-M396 HydrophobicContact CB-CB 4.2Å; L388-M396 HydrophobicContact CB-CG 3.64Å; L388-M396 HydrophobicContact CD1-CE 4.01Å; L388-M396 HydrophobicContact CD1-CG 4.19Å; A389-M396 HydrophobicContact CB-CB 4.1Å; N393-M396 HydrophobicContact CB-CB 4.38Å; N393-M396 HydrophobicContact CB-CG 4.29Å; N393-M396 PolarHBondContact O-N 3.12Å; N393-M396 VanDerWaalsContact O-N 3.17Å; N393-M396 PolarHBondContact OD1-N 3.42Å; Q394-M396 VanDerWaalsContact C-N 3.26Å; Q394-M396 PolarHBondContact O-N 3.33Å; M396-I399 PolarHBondContact O-N 3.29Å; M396-L400 WeakPolarHBondContact O-CB 3.31Å; M396-L400 VanDerWaalsContact O-CG 3.3Å; M396-L400 WeakPolarHBondContact O-CG 3.22Å; M396-L400 PolarHBondContact O-N 2.88Å |
| 397 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 170.3 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | A389 N393 Q394 I399 L400 C401 L422 V427 M431 | A389-V397 HydrophobicContact CB-CG2 4.02Å; N393-V397 PolarHBondContact O-N 3.29Å; N393-V397 VanDerWaalsContact O-N 3.14Å; Q394-V397 WeakPolarHBondContact O-CB 3.35Å; Q394-V397 PolarHBondContact O-N 2.74Å; V397-I399 VanDerWaalsContact C-N 3.31Å; V397-I399 PolarHBondContact O-N 2.97Å; V397-L400 PolarHBondContact O-N 2.66Å; V397-C401 PolarHBondContact O-N 2.75Å; V397-C401 PolarHBondContact O-SG 2.86Å; V397-L422 HydrophobicContact CB-CD2 4.31Å; V397-L422 HydrophobicContact CG1-CD2 3.83Å; V397-L422 HydrophobicContact CG2-CD2 4.43Å; V397-V427 HydrophobicContact CG1-CG1 4.42Å; V397-M431 HydrophobicContact CG1-CB 4.07Å; V397-M431 HydrophobicContact CG1-CG 4.23Å; V397-M431 HydrophobicContact CG1-SD 3.59Å; V397-M431 VanDerWaalsContact CG1-SD 3.59Å |
| 398 | E | 91.3 | Very high | 90 | Very high | 65 Ų | 65 | 36.2 Ų | 36.2 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -55.7 | -45.7 | 175.7 | -80.2 | 169.9 | -161.9 | 0 | 0 | 111.8 | Q394 T395 C401 L402 M431 | Q394-E398 WeakPolarHBondContact CG-OE1 3.46Å; Q394-E398 PolarHBondContact NE2-OE1 2.77Å; Q394-E398 WeakPolarHBondContact O-CG 3.1Å; Q394-E398 PolarHBondContact O-N 3.25Å; T395-E398 PolarHBondContact O-N 3.36Å; E398-C401 WeakPolarHBondContact O-CB 3.38Å; E398-C401 PolarHBondContact O-N 3.16Å; E398-L402 VanDerWaalsContact O-CG 3.28Å; E398-L402 WeakPolarHBondContact O-CG 3.45Å; E398-L402 PolarHBondContact O-N 3.43Å; E398-M431 HydrophobicContact CB-CE 4.43Å; E398-M431 HydrophobicContact CG-CE 3.33Å; E398-M431 HydrophobicContact CG-SD 4.21Å |
| 399 | I | 91.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | -178.6 | -76.6 | 169.5 | 0 | 0 | 0 | 112.8 | V360 M364 L374 L377 T395 M396 V397 C401 L402 M403 | V360-I399 HydrophobicContact CG1-CD1 3.03Å; M364-I399 HydrophobicContact CE-CG1 4.22Å; M364-I399 HydrophobicContact CG-CD1 3.8Å; M364-I399 HydrophobicContact CG-CG1 4.14Å; M364-I399 HydrophobicContact SD-CD1 4.49Å; M364-I399 HydrophobicContact SD-CG1 4.4Å; L374-I399 HydrophobicContact CD2-CG2 3.86Å; L377-I399 HydrophobicContact CD2-CG2 3.69Å; T395-I399 HydrophobicContact CG2-CD1 3.91Å; T395-I399 WeakPolarHBondContact O-CB 3.2Å; T395-I399 WeakPolarHBondContact O-CD1 3.23Å; T395-I399 VanDerWaalsContact O-CG1 3.29Å; T395-I399 WeakPolarHBondContact O-CG1 3.18Å; T395-I399 PolarHBondContact O-N 3.18Å; M396-I399 PolarHBondContact O-N 3.29Å; V397-I399 VanDerWaalsContact C-N 3.31Å; V397-I399 PolarHBondContact O-N 2.97Å; I399-C401 VanDerWaalsContact C-N 3.34Å; I399-L402 PolarHBondContact O-N 3.16Å; I399-M403 HydrophobicContact CG2-CE 3.88Å; I399-M403 WeakPolarHBondContact O-CG 3.21Å; I399-M403 PolarHBondContact O-N 2.85Å |
| 400 | L | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 174.5 | -71.8 | 179.9 | 0 | 0 | 0 | 111.1 | L382 C385 M386 A389 M396 V397 L402 M403 L404 I418 T421 L422 | L382-L400 HydrophobicContact CD1-CD2 3.77Å; C385-L400 HydrophobicContact CB-CD2 4.48Å; M386-L400 HydrophobicContact CG-CD1 4.28Å; M386-L400 HydrophobicContact CG-CD2 4.26Å; A389-L400 HydrophobicContact CB-CD1 3.57Å; M396-L400 WeakPolarHBondContact O-CB 3.31Å; M396-L400 VanDerWaalsContact O-CG 3.3Å; M396-L400 WeakPolarHBondContact O-CG 3.22Å; M396-L400 PolarHBondContact O-N 2.88Å; V397-L400 PolarHBondContact O-N 2.66Å; L400-L402 PolarHBondContact O-N 3.08Å; L400-M403 HydrophobicContact CD2-SD 4.28Å; L400-M403 PolarHBondContact O-N 3.18Å; L400-L404 WeakPolarHBondContact O-CG 2.98Å; L400-L404 PolarHBondContact O-N 2.91Å; L400-L404 VanDerWaalsContact O-N 3.15Å; L400-I418 HydrophobicContact CB-CG2 3.77Å; L400-I418 HydrophobicContact CD1-CG2 4.33Å; L400-I418 HydrophobicContact CD2-CD1 4.29Å; L400-I418 HydrophobicContact CD2-CG1 4.13Å; L400-I418 HydrophobicContact CD2-CG2 3.94Å; L400-I418 HydrophobicContact CG-CG2 4.21Å; L400-T421 HydrophobicContact CD1-CG2 4.1Å; L400-L422 HydrophobicContact CB-CD1 4.34Å; L400-L422 HydrophobicContact CB-CD2 4.06Å; L400-L422 HydrophobicContact CB-CG 4.37Å; L400-L422 HydrophobicContact CD1-CD2 4.46Å |
| 401 | C | 92.1 | Very high | 89.3 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 171 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | V397 E398 I399 L404 E405 L435 | V397-C401 PolarHBondContact O-N 2.75Å; V397-C401 PolarHBondContact O-SG 2.86Å; E398-C401 WeakPolarHBondContact O-CB 3.38Å; E398-C401 PolarHBondContact O-N 3.16Å; I399-C401 VanDerWaalsContact C-N 3.34Å; C401-L404 PolarHBondContact O-N 2.94Å; C401-E405 WeakPolarHBondContact O-CB 3.49Å; C401-E405 PolarHBondContact O-N 2.94Å; C401-L435 HydrophobicContact CB-CD2 4.31Å; C401-L435 WeakPolarHBondContact O-CD2 3.33Å |
| 402 | L | 90.4 | Very high | 89.3 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | 176.7 | -68.8 | 171.7 | 0 | 0 | 0 | 112.7 | M364 L374 E398 I399 L400 E405 Y406 | M364-L402 HydrophobicContact CE-CD1 3.52Å; L374-L402 HydrophobicContact CD1-CB 4.17Å; E398-L402 VanDerWaalsContact O-CG 3.28Å; E398-L402 WeakPolarHBondContact O-CG 3.45Å; E398-L402 PolarHBondContact O-N 3.43Å; I399-L402 PolarHBondContact O-N 3.16Å; L400-L402 PolarHBondContact O-N 3.08Å; L402-E405 PolarHBondContact O-N 3.45Å; L402-Y406 HydrophobicContact CB-CD2 4.33Å; L402-Y406 HydrophobicContact CB-CE2 4.46Å; L402-Y406 HydrophobicContact CD2-CE2 4Å; L402-Y406 WeakPolarHBondContact O-CB 3.39Å; L402-Y406 VanDerWaalsContact O-CD2 3.26Å; L402-Y406 WeakPolarHBondContact O-CD2 3.35Å; L402-Y406 PolarHBondContact O-N 3.33Å |
| 403 | M | 91.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -42 | 174.4 | -75.6 | -178.8 | 179.8 | 0 | 0 | 111.9 | L374 L377 A378 L382 I399 L400 N407 I408 I409 | L374-M403 HydrophobicContact CD2-CE 4.21Å; L374-M403 HydrophobicContact CD2-CG 4.15Å; L377-M403 HydrophobicContact CB-CE 3.91Å; L377-M403 HydrophobicContact CD2-CE 3.74Å; L377-M403 HydrophobicContact CG-CE 3.93Å; A378-M403 HydrophobicContact CB-CE 4.08Å; A378-M403 HydrophobicContact CB-SD 4.2Å; L382-M403 HydrophobicContact CD1-SD 4.08Å; I399-M403 HydrophobicContact CG2-CE 3.88Å; I399-M403 WeakPolarHBondContact O-CG 3.21Å; I399-M403 PolarHBondContact O-N 2.85Å; L400-M403 HydrophobicContact CD2-SD 4.28Å; L400-M403 PolarHBondContact O-N 3.18Å; M403-N407 PolarHBondContact O-N 2.91Å; M403-I408 HydrophobicContact CB-CB 4.24Å; M403-I408 HydrophobicContact CB-CG1 4.37Å; M403-I408 HydrophobicContact CG-CB 4.36Å; M403-I408 HydrophobicContact CG-CG1 4.41Å; M403-I408 HydrophobicContact CG-CG2 4.45Å; M403-I408 PolarHBondContact O-N 3.43Å; M403-I409 HydrophobicContact CB-CD1 4.48Å; M403-I409 HydrophobicContact SD-CD1 4.15Å |
| 404 | L | 90.6 | Very high | 89.5 | Confident | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.5 | -44 | 173.3 | -65.5 | 176 | 0 | 0 | 0 | 111.4 | L400 C401 N407 Q415 I418 I419 L422 Y432 L435 | L400-L404 WeakPolarHBondContact O-CG 2.98Å; L400-L404 PolarHBondContact O-N 2.91Å; L400-L404 VanDerWaalsContact O-N 3.15Å; C401-L404 PolarHBondContact O-N 2.94Å; L404-N407 PolarHBondContact O-N 3.12Å; L404-Q415 HydrophobicContact CD2-CB 4.04Å; L404-Q415 HydrophobicContact CD2-CG 4.05Å; L404-I418 HydrophobicContact CD1-CG2 3.97Å; L404-I418 HydrophobicContact CD2-CG2 4.38Å; L404-I418 HydrophobicContact CG-CG2 4.12Å; L404-I419 HydrophobicContact CD1-CG1 3.85Å; L404-L422 HydrophobicContact CD1-CD1 3.87Å; L404-Y432 HydrophobicContact CD1-CD2 4.18Å; L404-Y432 HydrophobicContact CD1-CE2 4.01Å; L404-L435 HydrophobicContact CB-CD2 3.91Å; L404-L435 HydrophobicContact CD1-CD2 4.42Å |
| 405 | E | 88.6 | Confident | 89.4 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62 | -45.6 | -179.3 | -170.1 | 168.6 | 174.2 | 0 | 0 | 113.2 | C401 L402 N407 L435 R438 | C401-E405 WeakPolarHBondContact O-CB 3.49Å; C401-E405 PolarHBondContact O-N 2.94Å; L402-E405 PolarHBondContact O-N 3.45Å; E405-N407 VanDerWaalsContact C-N 3.25Å; E405-N407 PolarHBondContact O-N 3.48Å; E405-N407 PolarHBondContact O-ND2 3.16Å; E405-L435 HydrophobicContact CB-CD1 3.67Å; E405-L435 HydrophobicContact CG-CD1 3.83Å; E405-R438 IonicContact OE1-CZ 3.91Å; E405-R438 IonicContact OE1-NH1 3.77Å; E405-R438 PolarHBondContact OE1-NH1 3.31Å; E405-R438 IonicContact OE1-NH2 3.88Å; E405-R438 IonicContact OE2-CZ 2.67Å; E405-R438 IonicContact OE2-NH1 2.75Å; E405-R438 PolarHBondContact OE2-NH1 3.05Å; E405-R438 VanDerWaalsContact OE2-NH1 3.08Å; E405-R438 IonicContact OE2-NH2 3.69Å; E405-R438 PolarHBondContact OE2-NH2 3.14Å |
| 406 | Y | 85.3 | Confident | 89.4 | Confident | 113 Ų | 113 | 50.7 Ų | 50.7 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.2 | -179.2 | -73 | -60.6 | 0 | 0 | 0 | 114.5 | K371 L374 L402 | K371-Y406 PolarHBondContact NZ-O 3.35Å; L374-Y406 HydrophobicContact CD1-CD2 3.91Å; L374-Y406 HydrophobicContact CD1-CE2 4.49Å; L402-Y406 HydrophobicContact CB-CD2 4.33Å; L402-Y406 HydrophobicContact CB-CE2 4.46Å; L402-Y406 HydrophobicContact CD2-CE2 4Å; L402-Y406 WeakPolarHBondContact O-CB 3.39Å; L402-Y406 VanDerWaalsContact O-CD2 3.26Å; L402-Y406 WeakPolarHBondContact O-CD2 3.35Å; L402-Y406 PolarHBondContact O-N 3.33Å |
| 407 | N | 85.2 | Confident | 89.4 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 62 | -171.3 | -59.8 | -92.6 | 0 | 0 | 0 | 109.9 | M403 L404 E405 | M403-N407 PolarHBondContact O-N 2.91Å; L404-N407 PolarHBondContact O-N 3.12Å; E405-N407 VanDerWaalsContact C-N 3.25Å; E405-N407 PolarHBondContact O-N 3.48Å; E405-N407 PolarHBondContact O-ND2 3.16Å |
| 408 | I | 85.6 | Confident | 89.3 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | trans | -78.9 | -28.4 | 179.2 | -60.6 | -61.1 | 0 | 0 | 0 | 111.3 | K371 L374 L375 A378 M403 | K371-I408 HydrophobicContact CB-CD1 4.35Å; K371-I408 HydrophobicContact CD-CD1 3.99Å; K371-I408 HydrophobicContact CG-CD1 3.67Å; L374-I408 HydrophobicContact CB-CD1 4.05Å; L374-I408 HydrophobicContact CB-CG1 4.01Å; L374-I408 HydrophobicContact CB-CG2 4.28Å; L374-I408 HydrophobicContact CD1-CD1 4.38Å; L374-I408 HydrophobicContact CD1-CG1 4.26Å; L375-I408 HydrophobicContact CD2-CG2 3.9Å; L375-I408 HydrophobicContact CG-CG2 4.1Å; A378-I408 HydrophobicContact CB-CG2 3.96Å; M403-I408 HydrophobicContact CB-CB 4.24Å; M403-I408 HydrophobicContact CB-CG1 4.37Å; M403-I408 HydrophobicContact CG-CB 4.36Å; M403-I408 HydrophobicContact CG-CG1 4.41Å; M403-I408 HydrophobicContact CG-CG2 4.45Å; M403-I408 PolarHBondContact O-N 3.43Å | ||
| 409 | I | 86 | Confident | 89.4 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | trans | -117.5 | 114.9 | -173.2 | -65.6 | 168.2 | 0 | 0 | 0 | 107.5 | A378 L382 M403 N411 T414 Q415 I418 | A378-I409 HydrophobicContact CB-CD1 4.15Å; A378-I409 HydrophobicContact CB-CG1 4.01Å; L382-I409 HydrophobicContact CD1-CD1 4.38Å; L382-I409 HydrophobicContact CD2-CD1 4.08Å; M403-I409 HydrophobicContact CB-CD1 4.48Å; M403-I409 HydrophobicContact SD-CD1 4.15Å; I409-N411 HydrophobicContact CG2-CB 4.49Å; I409-T414 HydrophobicContact CD1-CG2 4.33Å; I409-T414 HydrophobicContact CG2-CG2 3.79Å; I409-Q415 HydrophobicContact CG2-CG 4.26Å; I409-Q415 PolarHBondContact O-NE2 3.17Å; I409-I418 HydrophobicContact CD1-CD1 3.33Å | ||
| 410 | D | 82.3 | Confident | 89.5 | Confident | 148 Ų | 148 | 55.1 Ų | 55.1 | 79% | 0.791 | 29% | 0.285 | S | S | * | . | trans | -83.9 | -14 | -179.2 | -60.7 | -49 | 0 | 0 | 0 | 113.2 | N412 | D410-N412 PolarHBondContact O-N 2.91Š| ||
| 411 | N | 89.9 | Confident | 89.4 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 43% | 0.428 | 29% | 0.286 | S | S | . | . | trans | -82.6 | 113.9 | 179.9 | -175 | 9.1 | 0 | 0 | 0 | 111.7 | I409 D413 T414 Q415 | I409-N411 HydrophobicContact CG2-CB 4.49Å; N411-D413 VanDerWaalsContact C-N 3.29Å; N411-D413 PolarHBondContact O-N 3.34Å; N411-D413 PolarHBondContact OD1-N 3.36Å; N411-T414 PolarHBondContact ND2-OG1 3.4Å; N411-T414 VanDerWaalsContact ND2-OG1 3.11Å; N411-T414 PolarHBondContact O-N 3.45Å; N411-Q415 PolarHBondContact O-N 3.25Å | ||
| 412 | N | 88.9 | Confident | 89.5 | Confident | 110 Ų | 110 | 54.9 Ų | 54.9 | 59% | 0.588 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -54.1 | -40.4 | 177.3 | -67.8 | -21.9 | 0 | 0 | 0 | 113.1 | D410 T414 Q415 L416 | D410-N412 PolarHBondContact O-N 2.91Å; N412-T414 VanDerWaalsContact C-N 3.34Å; N412-T414 PolarHBondContact O-N 3.3Å; N412-Q415 WeakPolarHBondContact O-CB 3.36Å; N412-Q415 PolarHBondContact O-N 2.9Å; N412-L416 WeakPolarHBondContact O-CG 3.34Å; N412-L416 PolarHBondContact O-N 3.35Å |
| 413 | D | 89.8 | Confident | 89.6 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 56% | 0.556 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | -178.2 | -62 | -28.8 | 0 | 0 | 0 | 110.9 | N411 L416 Q417 | N411-D413 VanDerWaalsContact C-N 3.29Å; N411-D413 PolarHBondContact O-N 3.34Å; N411-D413 PolarHBondContact OD1-N 3.36Å; D413-L416 PolarHBondContact O-N 3.42Å; D413-Q417 VanDerWaalsContact O-CG 3.32Å; D413-Q417 WeakPolarHBondContact O-CG 3.45Å; D413-Q417 PolarHBondContact O-N 2.81Å |
| 414 | T | 88.9 | Confident | 89.7 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 18% | 0.184 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 175.5 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | L382 I409 N411 N412 Q417 I418 | L382-T414 HydrophobicContact CD2-CG2 3.36Å; I409-T414 HydrophobicContact CD1-CG2 4.33Å; I409-T414 HydrophobicContact CG2-CG2 3.79Å; N411-T414 PolarHBondContact ND2-OG1 3.4Å; N411-T414 VanDerWaalsContact ND2-OG1 3.11Å; N411-T414 PolarHBondContact O-N 3.45Å; N412-T414 VanDerWaalsContact C-N 3.34Å; N412-T414 PolarHBondContact O-N 3.3Å; T414-Q417 PolarHBondContact O-N 3.09Å; T414-I418 WeakPolarHBondContact O-CG1 3.4Å; T414-I418 PolarHBondContact O-N 3.49Å; T414-I418 VanDerWaalsContact O-N 3.12Å |
| 415 | Q | 90.4 | Very high | 89.8 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 21% | 0.21 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 171.4 | -68.5 | -174.4 | -1.6 | 0 | 0 | 111.5 | L404 I409 N411 N412 Q417 I418 I419 | L404-Q415 HydrophobicContact CD2-CB 4.04Å; L404-Q415 HydrophobicContact CD2-CG 4.05Å; I409-Q415 HydrophobicContact CG2-CG 4.26Å; I409-Q415 PolarHBondContact O-NE2 3.17Å; N411-Q415 PolarHBondContact O-N 3.25Å; N412-Q415 WeakPolarHBondContact O-CB 3.36Å; N412-Q415 PolarHBondContact O-N 2.9Å; Q415-Q417 VanDerWaalsContact C-N 3.34Å; Q415-Q417 PolarHBondContact O-N 2.93Å; Q415-I418 WeakPolarHBondContact O-CB 3.45Å; Q415-I418 PolarHBondContact O-N 3.09Å; Q415-I418 VanDerWaalsContact O-N 3.16Å; Q415-I419 VanDerWaalsContact O-CG1 3.29Å; Q415-I419 WeakPolarHBondContact O-CG1 3.25Å; Q415-I419 PolarHBondContact O-N 3.32Å |
| 416 | L | 90.9 | Very high | 89.9 | Confident | 108 Ų | 108 | 65 Ų | 65 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.9 | -38.1 | 177.9 | -71.9 | 171.3 | 0 | 0 | 0 | 112.4 | N412 D413 I418 I419 S420 | N412-L416 WeakPolarHBondContact O-CG 3.34Å; N412-L416 PolarHBondContact O-N 3.35Å; D413-L416 PolarHBondContact O-N 3.42Å; L416-I418 VanDerWaalsContact C-N 3.34Å; L416-I418 PolarHBondContact O-N 2.9Å; L416-I419 PolarHBondContact O-N 3.21Å; L416-S420 WeakPolarHBondContact O-CB 3.48Å; L416-S420 PolarHBondContact O-N 3Å |
| 417 | Q | 91.8 | Very high | 90.2 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 38% | 0.379 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 172.9 | -73.2 | 170.7 | 2.9 | 0 | 0 | 112.4 | M386 D413 T414 Q415 T421 | M386-Q417 HydrophobicContact CE-CB 3.9Å; D413-Q417 VanDerWaalsContact O-CG 3.32Å; D413-Q417 WeakPolarHBondContact O-CG 3.45Å; D413-Q417 PolarHBondContact O-N 2.81Å; T414-Q417 PolarHBondContact O-N 3.09Å; Q415-Q417 VanDerWaalsContact C-N 3.34Å; Q415-Q417 PolarHBondContact O-N 2.93Å; Q417-T421 WeakPolarHBondContact O-CB 3.39Å; Q417-T421 PolarHBondContact O-N 2.89Å; Q417-T421 PolarHBondContact O-OG1 2.99Å |
| 418 | I | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 175.3 | -67.3 | 168 | 0 | 0 | 0 | 111 | L382 M386 L400 L404 I409 T414 Q415 L416 T421 L422 | L382-I418 HydrophobicContact CD1-CD1 3.85Å; L382-I418 HydrophobicContact CD1-CG1 4.17Å; L382-I418 HydrophobicContact CD2-CD1 4.22Å; M386-I418 HydrophobicContact SD-CG1 4.3Å; L400-I418 HydrophobicContact CB-CG2 3.77Å; L400-I418 HydrophobicContact CD1-CG2 4.33Å; L400-I418 HydrophobicContact CD2-CD1 4.29Å; L400-I418 HydrophobicContact CD2-CG1 4.13Å; L400-I418 HydrophobicContact CD2-CG2 3.94Å; L400-I418 HydrophobicContact CG-CG2 4.21Å; L404-I418 HydrophobicContact CD1-CG2 3.97Å; L404-I418 HydrophobicContact CD2-CG2 4.38Å; L404-I418 HydrophobicContact CG-CG2 4.12Å; I409-I418 HydrophobicContact CD1-CD1 3.33Å; T414-I418 WeakPolarHBondContact O-CG1 3.4Å; T414-I418 PolarHBondContact O-N 3.49Å; T414-I418 VanDerWaalsContact O-N 3.12Å; Q415-I418 WeakPolarHBondContact O-CB 3.45Å; Q415-I418 PolarHBondContact O-N 3.09Å; Q415-I418 VanDerWaalsContact O-N 3.16Å; L416-I418 VanDerWaalsContact C-N 3.34Å; L416-I418 PolarHBondContact O-N 2.9Å; I418-T421 WeakPolarHBondContact O-CB 3.34Å; I418-T421 PolarHBondContact O-N 3.25Å; I418-L422 HydrophobicContact CG2-CD1 3.99Å; I418-L422 HydrophobicContact CG2-CG 4.42Å; I418-L422 WeakPolarHBondContact O-CG 3.43Å; I418-L422 PolarHBondContact O-N 3.42Å |
| 419 | I | 92.1 | Very high | 90.9 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 177.7 | -67.9 | 162.3 | 0 | 0 | 0 | 110.2 | L404 Q415 L416 T421 L422 E423 Y432 | L404-I419 HydrophobicContact CD1-CG1 3.85Å; Q415-I419 VanDerWaalsContact O-CG1 3.29Å; Q415-I419 WeakPolarHBondContact O-CG1 3.25Å; Q415-I419 PolarHBondContact O-N 3.32Å; L416-I419 PolarHBondContact O-N 3.21Å; I419-T421 VanDerWaalsContact C-N 3.28Å; I419-T421 PolarHBondContact O-N 3.28Å; I419-L422 WeakPolarHBondContact O-CB 3.44Å; I419-L422 PolarHBondContact O-N 3.01Å; I419-L422 VanDerWaalsContact O-N 3.09Å; I419-E423 HydrophobicContact CG2-CG 4.31Å; I419-E423 WeakPolarHBondContact O-CG 3.49Å; I419-E423 PolarHBondContact O-N 2.84Å; I419-Y432 HydrophobicContact CD1-CE2 4.42Å; I419-Y432 WeakPolarHBondContact CD1-OH 3.34Å; I419-Y432 HydrophobicContact CG1-CE2 3.84Å; I419-Y432 HydrophobicContact CG2-CD1 4.38Å; I419-Y432 HydrophobicContact CG2-CE1 3.64Å; I419-Y432 HydrophobicContact CG2-CE2 4.39Å |
| 420 | S | 93.3 | Very high | 91.2 | Very high | 54 Ų | 54 | 67.2 Ų | 67.2 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 175.5 | 178 | 0 | 0 | 0 | 0 | 112.5 | L416 S424 | L416-S420 WeakPolarHBondContact O-CB 3.48Å; L416-S420 PolarHBondContact O-N 3Å; S420-S424 WeakPolarHBondContact O-CB 3.5Å; S420-S424 PolarHBondContact O-N 2.69Å; S420-S424 VanDerWaalsContact O-N 3.08Å; S420-S424 PolarHBondContact O-OG 3.08Å |
| 421 | T | 92.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 174 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | M386 A389 L390 L400 Q417 I418 I419 S424 | M386-T421 HydrophobicContact CB-CG2 4.11Å; M386-T421 VanDerWaalsContact CE-OG1 3.24Å; M386-T421 WeakPolarHBondContact CE-OG1 3.49Å; M386-T421 HydrophobicContact CG-CG2 4.38Å; A389-T421 HydrophobicContact CB-CG2 4.04Å; L390-T421 HydrophobicContact CD2-CG2 3.97Å; L390-T421 HydrophobicContact CG-CG2 3.91Å; L400-T421 HydrophobicContact CD1-CG2 4.1Å; Q417-T421 WeakPolarHBondContact O-CB 3.39Å; Q417-T421 PolarHBondContact O-N 2.89Å; Q417-T421 PolarHBondContact O-OG1 2.99Å; I418-T421 WeakPolarHBondContact O-CB 3.34Å; I418-T421 PolarHBondContact O-N 3.25Å; I419-T421 VanDerWaalsContact C-N 3.28Å; I419-T421 PolarHBondContact O-N 3.28Å; T421-S424 PolarHBondContact O-N 3.03Å |
| 422 | L | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -47.5 | 177.3 | -70.8 | 167.7 | 0 | 0 | 0 | 111.2 | V397 L400 L404 I418 I419 S424 T425 G428 K429 Y432 | V397-L422 HydrophobicContact CB-CD2 4.31Å; V397-L422 HydrophobicContact CG1-CD2 3.83Å; V397-L422 HydrophobicContact CG2-CD2 4.43Å; L400-L422 HydrophobicContact CB-CD1 4.34Å; L400-L422 HydrophobicContact CB-CD2 4.06Å; L400-L422 HydrophobicContact CB-CG 4.37Å; L400-L422 HydrophobicContact CD1-CD2 4.46Å; L404-L422 HydrophobicContact CD1-CD1 3.87Å; I418-L422 HydrophobicContact CG2-CD1 3.99Å; I418-L422 HydrophobicContact CG2-CG 4.42Å; I418-L422 WeakPolarHBondContact O-CG 3.43Å; I418-L422 PolarHBondContact O-N 3.42Å; I419-L422 WeakPolarHBondContact O-CB 3.44Å; I419-L422 PolarHBondContact O-N 3.01Å; I419-L422 VanDerWaalsContact O-N 3.09Å; L422-S424 PolarHBondContact O-N 3.06Å; L422-T425 PolarHBondContact O-N 3.45Å; L422-T425 PolarHBondContact O-OG1 3.23Å; L422-G428 CarbonylContact O-C 3.5Å; L422-G428 VanDerWaalsContact O-CA 3.24Å; L422-G428 WeakPolarHBondContact O-CA 3.39Å; L422-K429 PolarHBondContact O-N 3.24Å; L422-Y432 HydrophobicContact CD1-CD2 4.15Å; L422-Y432 HydrophobicContact CD1-CG 4.45Å |
| 423 | E | 92.9 | Very high | 92.1 | Very high | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -22.5 | 179.7 | -70.5 | -179.3 | 152.6 | 0 | 0 | 113.5 | I419 T425 Y432 | I419-E423 HydrophobicContact CG2-CG 4.31Å; I419-E423 WeakPolarHBondContact O-CG 3.49Å; I419-E423 PolarHBondContact O-N 2.84Å; E423-T425 PolarHBondContact O-N 3.41Å; E423-Y432 HydrophobicContact CG-CD1 4.19Å |
| 424 | S | 92.4 | Very high | 92.2 | Very high | 68 Ų | 68 | 60.4 Ų | 60.4 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6.9 | 175.9 | -62.6 | 0 | 0 | 0 | 0 | 114.2 | S420 T421 L422 | S420-S424 WeakPolarHBondContact O-CB 3.5Å; S420-S424 PolarHBondContact O-N 2.69Å; S420-S424 VanDerWaalsContact O-N 3.08Å; S420-S424 PolarHBondContact O-OG 3.08Å; T421-S424 PolarHBondContact O-N 3.03Å; L422-S424 PolarHBondContact O-N 3.06Å |
| 425 | T | 92.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.135 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -131 | 143.9 | 178.7 | 67.6 | 0 | 0 | 0 | 0 | 112.2 | L422 E423 V427 G428 K429 | L422-T425 PolarHBondContact O-N 3.45Å; L422-T425 PolarHBondContact O-OG1 3.23Å; E423-T425 PolarHBondContact O-N 3.41Å; T425-V427 PolarHBondContact O-N 3.21Å; T425-G428 PolarHBondContact O-N 3.11Å; T425-G428 WeakPolarHBondContact OG1-CA 3.49Å; T425-G428 PolarHBondContact OG1-N 3.4Å; T425-K429 VanDerWaalsContact O-CB 3.31Å; T425-K429 WeakPolarHBondContact O-CB 3.38Å; T425-K429 PolarHBondContact O-N 3.48Å |
| 426 | D | 91.3 | Very high | 92.4 | Very high | 136 Ų | 136 | 58.7 Ų | 58.7 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.2 | -24.6 | 179.4 | -68.1 | -57.8 | 0 | 0 | 0 | 113.8 | R430 | D426-R430 WeakPolarHBondContact O-CG 3.33Å; D426-R430 PolarHBondContact O-NE 3.06Å |
| 427 | V | 91.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -77.6 | -52.4 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | V397 T425 K429 R430 M431 | V397-V427 HydrophobicContact CG1-CG1 4.42Å; T425-V427 PolarHBondContact O-N 3.21Å; V427-K429 PolarHBondContact O-N 3.44Å; V427-R430 PolarHBondContact O-N 2.78Å; V427-M431 HydrophobicContact CG1-CG 4.5Å; V427-M431 HydrophobicContact CG1-SD 4.04Å; V427-M431 WeakPolarHBondContact O-CG 3.49Å; V427-M431 PolarHBondContact O-N 3.24Å |
| 428 | G | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L422 T425 R430 M431 Y432 | L422-G428 CarbonylContact O-C 3.5Å; L422-G428 VanDerWaalsContact O-CA 3.24Å; L422-G428 WeakPolarHBondContact O-CA 3.39Å; T425-G428 PolarHBondContact O-N 3.11Å; T425-G428 WeakPolarHBondContact OG1-CA 3.49Å; T425-G428 PolarHBondContact OG1-N 3.4Å; G428-R430 PolarHBondContact O-N 3.39Å; G428-M431 PolarHBondContact O-N 3.26Å; G428-Y432 VanDerWaalsContact O-CB 3.25Å; G428-Y432 WeakPolarHBondContact O-CB 3.42Å; G428-Y432 PolarHBondContact O-N 2.92Å |
| 429 | K | 92.8 | Very high | 92.1 | Very high | 99 Ų | 99 | 61.4 Ų | 61.4 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.2 | -51.4 | 176.2 | -177.1 | 176.1 | 174.7 | 177.1 | 0 | 112.2 | L422 T425 V427 M431 Y432 E433 | L422-K429 PolarHBondContact O-N 3.24Å; T425-K429 VanDerWaalsContact O-CB 3.31Å; T425-K429 WeakPolarHBondContact O-CB 3.38Å; T425-K429 PolarHBondContact O-N 3.48Å; V427-K429 PolarHBondContact O-N 3.44Å; K429-M431 VanDerWaalsContact C-N 3.33Å; K429-M431 PolarHBondContact O-N 3.16Å; K429-Y432 PolarHBondContact O-N 3.4Å; K429-E433 WeakPolarHBondContact CE-OE1 3.35Å; K429-E433 HydrophobicContact CG-CG 4.49Å; K429-E433 WeakPolarHBondContact O-CB 3.31Å; K429-E433 WeakPolarHBondContact O-CG 3.4Å; K429-E433 PolarHBondContact O-N 2.99Å |
| 430 | R | 94 | Very high | 91.9 | Very high | 146 Ų | 146 | 66.7 Ų | 66.7 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 179 | -74 | -177.7 | -65.6 | 148.1 | 0.5 | 112.4 | D426 V427 G428 Q434 | D426-R430 WeakPolarHBondContact O-CG 3.33Å; D426-R430 PolarHBondContact O-NE 3.06Å; V427-R430 PolarHBondContact O-N 2.78Å; G428-R430 PolarHBondContact O-N 3.39Å; R430-Q434 VanDerWaalsContact O-CG 3.27Å; R430-Q434 WeakPolarHBondContact O-CG 3.33Å; R430-Q434 PolarHBondContact O-N 3.4Å; R430-Q434 VanDerWaalsContact O-N 3.07Å |
| 431 | M | 92.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 70.5 Ų | 70.5 | 21% | 0.212 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.7 | -34.1 | 178.9 | -64.9 | -168.1 | 71.9 | 0 | 0 | 112.3 | V397 E398 V427 G428 K429 L435 | V397-M431 HydrophobicContact CG1-CB 4.07Å; V397-M431 HydrophobicContact CG1-CG 4.23Å; V397-M431 HydrophobicContact CG1-SD 3.59Å; V397-M431 VanDerWaalsContact CG1-SD 3.59Å; E398-M431 HydrophobicContact CB-CE 4.43Å; E398-M431 HydrophobicContact CG-CE 3.33Å; E398-M431 HydrophobicContact CG-SD 4.21Å; V427-M431 HydrophobicContact CG1-CG 4.5Å; V427-M431 HydrophobicContact CG1-SD 4.04Å; V427-M431 WeakPolarHBondContact O-CG 3.49Å; V427-M431 PolarHBondContact O-N 3.24Å; G428-M431 PolarHBondContact O-N 3.26Å; K429-M431 VanDerWaalsContact C-N 3.33Å; K429-M431 PolarHBondContact O-N 3.16Å; M431-L435 PolarHBondContact O-N 3.02Å |
| 432 | Y | 94.1 | Very high | 91 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.5 | -39.8 | 174.1 | -179.3 | -116.2 | 0 | 0 | 0 | 112.3 | L404 I419 L422 E423 G428 K429 L435 C436 | L404-Y432 HydrophobicContact CD1-CD2 4.18Å; L404-Y432 HydrophobicContact CD1-CE2 4.01Å; I419-Y432 HydrophobicContact CD1-CE2 4.42Å; I419-Y432 WeakPolarHBondContact CD1-OH 3.34Å; I419-Y432 HydrophobicContact CG1-CE2 3.84Å; I419-Y432 HydrophobicContact CG2-CD1 4.38Å; I419-Y432 HydrophobicContact CG2-CE1 3.64Å; I419-Y432 HydrophobicContact CG2-CE2 4.39Å; L422-Y432 HydrophobicContact CD1-CD2 4.15Å; L422-Y432 HydrophobicContact CD1-CG 4.45Å; E423-Y432 HydrophobicContact CG-CD1 4.19Å; G428-Y432 VanDerWaalsContact O-CB 3.25Å; G428-Y432 WeakPolarHBondContact O-CB 3.42Å; G428-Y432 PolarHBondContact O-N 2.92Å; K429-Y432 PolarHBondContact O-N 3.4Å; Y432-L435 HydrophobicContact CD2-CD2 4.29Å; Y432-L435 WeakPolarHBondContact O-CB 3.48Å; Y432-L435 PolarHBondContact O-N 2.93Å; Y432-C436 VanDerWaalsContact CZ-SG 3.52Å; Y432-C436 WeakPolarHBondContact O-CB 3.48Å; Y432-C436 PolarHBondContact O-N 3.1Å; Y432-C436 PolarHBondContact O-SG 3.36Å |
| 433 | E | 93.2 | Very high | 90.6 | Very high | 93 Ų | 93 | 81 Ų | 81 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 170.3 | -75.6 | 170.2 | 175.2 | 0 | 0 | 110.8 | K429 L435 C436 D437 | K429-E433 WeakPolarHBondContact CE-OE1 3.35Å; K429-E433 HydrophobicContact CG-CG 4.49Å; K429-E433 WeakPolarHBondContact O-CB 3.31Å; K429-E433 WeakPolarHBondContact O-CG 3.4Å; K429-E433 PolarHBondContact O-N 2.99Å; E433-L435 VanDerWaalsContact C-N 3.34Å; E433-L435 PolarHBondContact O-N 3.21Å; E433-C436 WeakPolarHBondContact O-CB 3.35Å; E433-C436 PolarHBondContact O-N 2.79Å; E433-C436 VanDerWaalsContact O-N 3.15Å; E433-D437 PolarHBondContact O-N 3.38Å |
| 434 | Q | 91.9 | Very high | 90.3 | Very high | 119 Ų | 119 | 79.3 Ų | 79.3 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.2 | -38.8 | 173.9 | -73.2 | 172.2 | 6 | 0 | 0 | 113.1 | R430 R438 | R430-Q434 VanDerWaalsContact O-CG 3.27Å; R430-Q434 WeakPolarHBondContact O-CG 3.33Å; R430-Q434 PolarHBondContact O-N 3.4Å; R430-Q434 VanDerWaalsContact O-N 3.07Å; Q434-R438 WeakPolarHBondContact O-CB 3.36Å; Q434-R438 VanDerWaalsContact O-CG 3.27Å; Q434-R438 WeakPolarHBondContact O-CG 3.27Å; Q434-R438 PolarHBondContact O-N 3.36Å |
| 435 | L | 91.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 173.2 | 174 | 62.5 | 0 | 0 | 0 | 111.2 | C401 L404 E405 M431 Y432 E433 R438 Q439 | C401-L435 HydrophobicContact CB-CD2 4.31Å; C401-L435 WeakPolarHBondContact O-CD2 3.33Å; L404-L435 HydrophobicContact CB-CD2 3.91Å; L404-L435 HydrophobicContact CD1-CD2 4.42Å; E405-L435 HydrophobicContact CB-CD1 3.67Å; E405-L435 HydrophobicContact CG-CD1 3.83Å; M431-L435 PolarHBondContact O-N 3.02Å; Y432-L435 HydrophobicContact CD2-CD2 4.29Å; Y432-L435 WeakPolarHBondContact O-CB 3.48Å; Y432-L435 PolarHBondContact O-N 2.93Å; E433-L435 VanDerWaalsContact C-N 3.34Å; E433-L435 PolarHBondContact O-N 3.21Å; L435-R438 PolarHBondContact O-N 2.93Å; L435-Q439 HydrophobicContact CD1-CG 4.25Å; L435-Q439 WeakPolarHBondContact O-CB 3.42Å; L435-Q439 WeakPolarHBondContact O-CG 3.38Å; L435-Q439 PolarHBondContact O-N 3.22Å |
| 436 | C | 91.8 | Very high | 89.1 | Confident | 38 Ų | 38 | 82.7 Ų | 82.7 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 179.2 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | Y432 E433 Q439 R440 | Y432-C436 VanDerWaalsContact CZ-SG 3.52Å; Y432-C436 WeakPolarHBondContact O-CB 3.48Å; Y432-C436 PolarHBondContact O-N 3.1Å; Y432-C436 PolarHBondContact O-SG 3.36Å; E433-C436 WeakPolarHBondContact O-CB 3.35Å; E433-C436 PolarHBondContact O-N 2.79Å; E433-C436 VanDerWaalsContact O-N 3.15Å; C436-Q439 PolarHBondContact O-N 3.32Å; C436-R440 WeakPolarHBondContact O-CB 3.43Å; C436-R440 PolarHBondContact O-N 3.01Å |
| 437 | D | 91.6 | Very high | 88.7 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 176.1 | -74.7 | -18.1 | 0 | 0 | 0 | 111.3 | E433 Q439 R440 E441 | E433-D437 PolarHBondContact O-N 3.38Å; D437-Q439 VanDerWaalsContact C-N 3.31Å; D437-Q439 PolarHBondContact O-N 3.25Å; D437-R440 WeakPolarHBondContact O-CA 3.33Å; D437-R440 WeakPolarHBondContact O-CB 3.48Å; D437-R440 PolarHBondContact O-N 3.21Å; D437-R440 IonicContact OD1-CZ 3.07Å; D437-R440 IonicContact OD1-NH1 2.77Å; D437-R440 PolarHBondContact OD1-NH1 3.42Å; D437-R440 IonicContact OD1-NH2 3.87Å; D437-R440 PolarHBondContact OD1-NH2 2.95Å; D437-E441 WeakPolarHBondContact O-CG 3.25Å; D437-E441 PolarHBondContact O-N 3.25Å |
| 438 | R | 88.7 | Confident | 88.2 | Confident | 111 Ų | 111 | 89 Ų | 89 | 42% | 0.419 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 173.6 | -71.5 | -175.9 | -55.1 | 119.6 | -4.3 | 112.5 | E405 Q434 L435 L442 | E405-R438 IonicContact OE1-CZ 3.91Å; E405-R438 IonicContact OE1-NH1 3.77Å; E405-R438 PolarHBondContact OE1-NH1 3.31Å; E405-R438 IonicContact OE1-NH2 3.88Å; E405-R438 IonicContact OE2-CZ 2.67Å; E405-R438 IonicContact OE2-NH1 2.75Å; E405-R438 PolarHBondContact OE2-NH1 3.05Å; E405-R438 VanDerWaalsContact OE2-NH1 3.08Å; E405-R438 IonicContact OE2-NH2 3.69Å; E405-R438 PolarHBondContact OE2-NH2 3.14Å; Q434-R438 WeakPolarHBondContact O-CB 3.36Å; Q434-R438 VanDerWaalsContact O-CG 3.27Å; Q434-R438 WeakPolarHBondContact O-CG 3.27Å; Q434-R438 PolarHBondContact O-N 3.36Å; L435-R438 PolarHBondContact O-N 2.93Å; R438-L442 WeakPolarHBondContact O-CB 3.28Å; R438-L442 PolarHBondContact O-N 3.14Å |
| 439 | Q | 87.3 | Confident | 87.5 | Confident | 65 Ų | 65 | 90 Ų | 90 | 30% | 0.304 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 174.3 | -74.4 | -171.6 | 13.9 | 0 | 0 | 112.5 | L435 C436 D437 K443 | L435-Q439 HydrophobicContact CD1-CG 4.25Å; L435-Q439 WeakPolarHBondContact O-CB 3.42Å; L435-Q439 WeakPolarHBondContact O-CG 3.38Å; L435-Q439 PolarHBondContact O-N 3.22Å; C436-Q439 PolarHBondContact O-N 3.32Å; D437-Q439 VanDerWaalsContact C-N 3.31Å; D437-Q439 PolarHBondContact O-N 3.25Å; Q439-K443 WeakPolarHBondContact O-CB 3.39Å; Q439-K443 WeakPolarHBondContact O-CD 3.47Å; Q439-K443 VanDerWaalsContact O-CG 3.26Å; Q439-K443 WeakPolarHBondContact O-CG 3.25Å; Q439-K443 PolarHBondContact O-N 2.74Å |
| 440 | R | 88.1 | Confident | 87.1 | Confident | 137 Ų | 137 | 85.6 Ų | 85.6 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.8 | -47.1 | 175.2 | -165.8 | -171.1 | -52.4 | 117.9 | 13.8 | 110.8 | C436 D437 L442 K443 E444 | C436-R440 WeakPolarHBondContact O-CB 3.43Å; C436-R440 PolarHBondContact O-N 3.01Å; D437-R440 WeakPolarHBondContact O-CA 3.33Å; D437-R440 WeakPolarHBondContact O-CB 3.48Å; D437-R440 PolarHBondContact O-N 3.21Å; D437-R440 IonicContact OD1-CZ 3.07Å; D437-R440 IonicContact OD1-NH1 2.77Å; D437-R440 PolarHBondContact OD1-NH1 3.42Å; D437-R440 IonicContact OD1-NH2 3.87Å; D437-R440 PolarHBondContact OD1-NH2 2.95Å; R440-L442 VanDerWaalsContact C-N 3.33Å; R440-L442 PolarHBondContact O-N 3.29Å; R440-K443 PolarHBondContact O-N 3.42Å; R440-E444 WeakPolarHBondContact O-CB 3.41Å; R440-E444 PolarHBondContact O-N 3.48Å |
| 441 | E | 86.2 | Confident | 86.9 | Confident | 135 Ų | 135 | 80.3 Ų | 80.3 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.1 | -44.4 | 175.1 | -72.9 | -178.9 | 171.1 | 0 | 0 | 111.7 | D437 E444 L445 | D437-E441 WeakPolarHBondContact O-CG 3.25Å; D437-E441 PolarHBondContact O-N 3.25Å; E441-E444 PolarHBondContact O-N 3.46Å; E441-L445 WeakPolarHBondContact O-CB 3.48Å; E441-L445 PolarHBondContact O-N 3.24Å |
| 442 | L | 81.9 | Confident | 86.8 | Confident | 93 Ų | 93 | 81.9 Ų | 81.9 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 175.6 | -177.5 | 62.2 | 0 | 0 | 0 | 111.5 | R438 R440 E444 L445 Q446 | R438-L442 WeakPolarHBondContact O-CB 3.28Å; R438-L442 PolarHBondContact O-N 3.14Å; R440-L442 VanDerWaalsContact C-N 3.33Å; R440-L442 PolarHBondContact O-N 3.29Å; L442-E444 VanDerWaalsContact C-N 3.28Å; L442-E444 PolarHBondContact O-N 2.98Å; L442-L445 PolarHBondContact O-N 3.12Å; L442-Q446 HydrophobicContact CD1-CG 4.46Å; L442-Q446 WeakPolarHBondContact O-CB 3.35Å; L442-Q446 WeakPolarHBondContact O-CG 3.3Å; L442-Q446 PolarHBondContact O-N 2.79Å |
| 443 | K | 83.7 | Confident | 86.8 | Confident | 130 Ų | 130 | 88 Ų | 88 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.8 | -36.8 | 176.1 | -74.5 | 167.4 | -178 | 167.8 | 0 | 112 | Q439 R440 R447 | Q439-K443 WeakPolarHBondContact O-CB 3.39Å; Q439-K443 WeakPolarHBondContact O-CD 3.47Å; Q439-K443 VanDerWaalsContact O-CG 3.26Å; Q439-K443 WeakPolarHBondContact O-CG 3.25Å; Q439-K443 PolarHBondContact O-N 2.74Å; R440-K443 PolarHBondContact O-N 3.42Å; K443-R447 WeakPolarHBondContact O-CB 3.41Å; K443-R447 PolarHBondContact O-N 3.22Å |
| 444 | E | 86.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 34% | 0.341 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 173.8 | -83.4 | -160.3 | -151.3 | 0 | 0 | 112.9 | R440 E441 L442 R447 K448 | R440-E444 WeakPolarHBondContact O-CB 3.41Å; R440-E444 PolarHBondContact O-N 3.48Å; E441-E444 PolarHBondContact O-N 3.46Å; L442-E444 VanDerWaalsContact C-N 3.28Å; L442-E444 PolarHBondContact O-N 2.98Å; E444-R447 PolarHBondContact O-N 3.46Å; E444-K448 VanDerWaalsContact O-CB 3.3Å; E444-K448 WeakPolarHBondContact O-CB 3.48Å; E444-K448 WeakPolarHBondContact O-CD 3Å; E444-K448 WeakPolarHBondContact O-CG 3.43Å; E444-K448 PolarHBondContact O-N 3.39Å; E444-K448 IonicContact OE2-NZ 3.36Å; E444-K448 PolarHBondContact OE2-NZ 3.02Å |
| 445 | L | 81.6 | Confident | 86.9 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.9 | -176.2 | 65.4 | 0 | 0 | 0 | 110.6 | E441 L442 K448 G449 G450 | E441-L445 WeakPolarHBondContact O-CB 3.48Å; E441-L445 PolarHBondContact O-N 3.24Å; L442-L445 PolarHBondContact O-N 3.12Å; L445-K448 CarbonylContact O-C 3.57Å; L445-K448 VanDerWaalsContact O-C 3.3Å; L445-K448 WeakPolarHBondContact O-CA 3.41Å; L445-K448 PolarHBondContact O-N 2.92Å; L445-K448 VanDerWaalsContact O-N 3.17Å; L445-G449 PolarHBondContact O-N 2.76Å; L445-G450 PolarHBondContact O-N 3.16Å |
| 446 | Q | 79.1 | Confident | 87 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 40% | 0.402 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 173.2 | -69.6 | 175.2 | -23.2 | 0 | 0 | 111.3 | L442 K448 G449 S473 | L442-Q446 HydrophobicContact CD1-CG 4.46Å; L442-Q446 WeakPolarHBondContact O-CB 3.35Å; L442-Q446 WeakPolarHBondContact O-CG 3.3Å; L442-Q446 PolarHBondContact O-N 2.79Å; Q446-K448 VanDerWaalsContact C-N 3.27Å; Q446-K448 PolarHBondContact O-N 2.91Å; Q446-G449 PolarHBondContact O-N 2.85Å; Q446-S473 WeakPolarHBondContact CG-OG 3.28Å |
| 447 | R | 82.4 | Confident | 87 | Confident | 194 Ų | 194 | 87 Ų | 87 | 73% | 0.732 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.8 | -32.6 | 174.4 | -171.4 | -177.4 | 67.4 | 168.4 | -3.4 | 112.7 | K443 E444 G449 | K443-R447 WeakPolarHBondContact O-CB 3.41Å; K443-R447 PolarHBondContact O-N 3.22Å; E444-R447 PolarHBondContact O-N 3.46Å; R447-G449 PolarHBondContact O-N 2.9Å |
| 448 | K | 82.5 | Confident | 87 | Confident | 119 Ų | 119 | 87.4 Ų | 87.4 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 13.9 | 172.9 | -68.5 | 165.8 | -170 | 160.5 | 0 | 112.7 | E444 L445 Q446 G450 N476 | E444-K448 VanDerWaalsContact O-CB 3.3Å; E444-K448 WeakPolarHBondContact O-CB 3.48Å; E444-K448 WeakPolarHBondContact O-CD 3Å; E444-K448 WeakPolarHBondContact O-CG 3.43Å; E444-K448 PolarHBondContact O-N 3.39Å; E444-K448 IonicContact OE2-NZ 3.36Å; E444-K448 PolarHBondContact OE2-NZ 3.02Å; L445-K448 CarbonylContact O-C 3.57Å; L445-K448 VanDerWaalsContact O-C 3.3Å; L445-K448 WeakPolarHBondContact O-CA 3.41Å; L445-K448 PolarHBondContact O-N 2.92Å; L445-K448 VanDerWaalsContact O-N 3.17Å; Q446-K448 VanDerWaalsContact C-N 3.27Å; Q446-K448 PolarHBondContact O-N 2.91Å; K448-G450 VanDerWaalsContact C-N 3.34Å; K448-G450 PolarHBondContact O-N 3.4Å; K448-N476 PolarHBondContact O-ND2 3.17Å |
| 449 | G | 77.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 90 Ų | 90 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 9.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L445 Q446 R447 F474 G475 N476 | L445-G449 PolarHBondContact O-N 2.76Å; Q446-G449 PolarHBondContact O-N 2.85Å; R447-G449 PolarHBondContact O-N 2.9Å; G449-F474 CarbonylContact O-C 3.26Å; G449-G475 PolarHBondContact O-N 3.35Å; G449-N476 PolarHBondContact O-N 2.93Å |
| 450 | G | 84.1 | Confident | 87.5 | Confident | 7 Ų | 7 | 87.5 Ų | 87.5 | 7% | 0.072 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 101.2 | -177.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L445 K448 S473 | L445-G450 PolarHBondContact O-N 3.16Å; K448-G450 VanDerWaalsContact C-N 3.34Å; K448-G450 PolarHBondContact O-N 3.4Å; G450-S473 WeakPolarHBondContact CA-O 3.38Å |
| 451 | P | 88.7 | Confident | 87.8 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | trans | -71.3 | 143.8 | 173.1 | 31.3 | -34.5 | 0 | 0 | 0 | 111 | F474 L477 | P451-F474 HydrophobicContact CG-CD1 3.85Å; P451-F474 HydrophobicContact CG-CE1 3.62Å; P451-L477 WeakPolarHBondContact O-CA 3.34Å; P451-L477 WeakPolarHBondContact O-CD1 3.36Å | ||
| 452 | T | 91.1 | Very high | 88.2 | Confident | 76 Ų | 76 | 78.6 Ų | 78.6 | 47% | 0.466 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -81 | -19.5 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | N476 E478 N479 | T452-N476 WeakPolarHBondContact CA-O 3.49Å; T452-E478 PolarHBondContact O-N 3.23Å; T452-N479 PolarHBondContact O-N 3.3Å |
| 453 | R | 92.9 | Very high | 88.7 | Confident | 172 Ų | 172 | 76.9 Ų | 76.9 | 65% | 0.649 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.9 | 177.2 | -49.5 | -167.6 | -175.4 | -114.1 | -3 | 110.7 | N479 | R453-N479 CarbonylContact C-O 3.58Å; R453-N479 WeakPolarHBondContact CA-O 3.49Å; R453-N479 HydrophobicContact CB-CB 4.18Å; R453-N479 HydrophobicContact CG-CB 3.94Å; R453-N479 PolarHBondContact NH1-ND2 3.08Å; R453-N479 VanDerWaalsContact NH1-ND2 3.16Å |
| 454 | L | 93.4 | Very high | 89.1 | Confident | 36 Ų | 36 | 72.9 Ų | 72.9 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 139 | -179.9 | -178.5 | 63.4 | 0 | 0 | 0 | 110.4 | L456 L468 F474 L477 N479 L480 S481 | L454-L456 HydrophobicContact CD2-CD1 3.98Å; L454-L456 HydrophobicContact CG-CD1 3.97Å; L454-L468 HydrophobicContact CD2-CD2 3.82Å; L454-F474 HydrophobicContact CD2-CD1 4.21Å; L454-F474 HydrophobicContact CD2-CE1 3.82Å; L454-L477 HydrophobicContact CB-CD1 3.59Å; L454-L477 HydrophobicContact CB-CD2 4.16Å; L454-L477 HydrophobicContact CD2-CD2 4.01Å; L454-N479 PolarHBondContact N-O 2.81Å; L454-L480 HydrophobicContact CB-CD1 4.04Å; L454-L480 HydrophobicContact CD2-CD1 3.94Å; L454-L480 HydrophobicContact CG-CD1 4.01Å; L454-L480 WeakPolarHBondContact O-CA 3.48Å; L454-S481 PolarHBondContact O-N 3.23Å |
| 455 | T | 94.5 | Very high | 89.3 | Confident | 104 Ų | 104 | 69.4 Ų | 69.4 | 64% | 0.638 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.1 | 172.9 | -61 | 0 | 0 | 0 | 0 | 108.2 | S481 | T455-S481 WeakPolarHBondContact CA-O 3.26Å |
| 456 | L | 93.4 | Very high | 89.8 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | trans | -93.7 | 148 | 176.2 | -83.1 | 81.1 | 0 | 0 | 0 | 111.5 | L454 L465 L468 L480 S481 L482 T485 | L454-L456 HydrophobicContact CD2-CD1 3.98Å; L454-L456 HydrophobicContact CG-CD1 3.97Å; L456-L465 HydrophobicContact CD1-CD1 4.01Å; L456-L465 HydrophobicContact CD2-CB 4.39Å; L456-L465 HydrophobicContact CD2-CD1 3.88Å; L456-L468 HydrophobicContact CD1-CD2 4.2Å; L456-L468 HydrophobicContact CD2-CD2 4.4Å; L456-L468 HydrophobicContact CG-CD2 4.43Å; L456-L480 HydrophobicContact CD1-CD1 3.82Å; L456-S481 PolarHBondContact N-O 3.46Å; L456-L482 HydrophobicContact CB-CD2 4.22Å; L456-L482 HydrophobicContact CD1-CD2 3.77Å; L456-L482 HydrophobicContact CD2-CD2 4.34Å; L456-L482 HydrophobicContact CG-CD2 4.32Å; L456-T485 HydrophobicContact CB-CG2 4.29Å | ||
| 457 | P | 92.6 | Very high | 90.3 | Very high | 78 Ų | 78 | 71 Ų | 71 | 51% | 0.506 | 36% | 0.363 | S | S | . | . | trans | -62.6 | 147.7 | 172.9 | -21.6 | 32.8 | 0 | 0 | 0 | 112.8 | K459 S460 T485 | P457-K459 HydrophobicContact CB-CG 4.43Å; P457-K459 PolarHBondContact O-N 2.96Å; P457-S460 WeakPolarHBondContact O-CB 3.37Å; P457-S460 PolarHBondContact O-N 2.96Å; P457-S460 PolarHBondContact O-OG 3.44Å; P457-T485 WeakPolarHBondContact O-CG2 3.49Å | ||
| 458 | S | 91.5 | Very high | 90.5 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.1 | -178.4 | 52.8 | 0 | 0 | 0 | 0 | 115.8 | S460 F484 T485 | S458-S460 VanDerWaalsContact C-N 3.29Å; S458-S460 PolarHBondContact O-N 3.37Å; S458-F484 CarbonylContact C-O 3.53Å; S458-F484 WeakPolarHBondContact CA-O 3.46Å; S458-F484 WeakPolarHBondContact CB-O 3.43Å; S458-F484 VanDerWaalsContact O-O 3.05Å; S458-T485 WeakPolarHBondContact O-CA 3.4Å |
| 459 | K | 91.6 | Very high | 90.7 | Very high | 167 Ų | 167 | 60 Ų | 60 | 73% | 0.726 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.6 | 175.3 | 65.5 | -177.8 | 178 | -176.9 | 0 | 114.8 | P457 | P457-K459 HydrophobicContact CB-CG 4.43Å; P457-K459 PolarHBondContact O-N 2.96Å |
| 460 | S | 94.2 | Very high | 91 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | trans | -68.4 | 144.7 | -177.5 | -75.2 | 0 | 0 | 0 | 0 | 112.8 | P457 S458 D464 N486 | P457-S460 WeakPolarHBondContact O-CB 3.37Å; P457-S460 PolarHBondContact O-N 2.96Å; P457-S460 PolarHBondContact O-OG 3.44Å; S458-S460 VanDerWaalsContact C-N 3.29Å; S458-S460 PolarHBondContact O-N 3.37Å; S460-D464 WeakPolarHBondContact CA-OD2 3.32Å; S460-N486 CarbonylContact O-C 3.17Å; S460-N486 WeakPolarHBondContact O-CA 3.34Å; S460-N486 WeakPolarHBondContact O-CB 3.34Å; S460-N486 PolarHBondContact O-N 2.69Å | ||
| 461 | T | 95.3 | Very high | 90.5 | Very high | 51 Ų | 51 | 66.5 Ų | 66.5 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -119.3 | 171.3 | -177.7 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | A463 D464 L465 N486 | T461-A463 PolarHBondContact O-N 3.04Å; T461-D464 PolarHBondContact N-OD2 3.03Å; T461-D464 WeakPolarHBondContact O-CB 3.23Å; T461-D464 PolarHBondContact O-N 3.15Å; T461-D464 PolarHBondContact OG1-N 3.03Å; T461-D464 PolarHBondContact OG1-OD2 3.12Å; T461-L465 PolarHBondContact O-N 3.39Å; T461-L465 VanDerWaalsContact O-N 3.12Å; T461-N486 HydrophobicContact CG2-CB 4.37Å |
| 462 | D | 93.9 | Very high | 89.5 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.4 | -38.1 | 173.7 | -59.8 | -26.6 | 0 | 0 | 0 | 112.3 | D464 L465 A466 V487 T488 C491 | D462-D464 VanDerWaalsContact C-N 3.32Å; D462-D464 PolarHBondContact O-N 3.43Å; D462-L465 PolarHBondContact O-N 3.4Å; D462-A466 WeakPolarHBondContact O-CB 3.46Å; D462-A466 PolarHBondContact O-N 3.17Å; D462-V487 WeakPolarHBondContact OD1-CA 3.17Å; D462-V487 WeakPolarHBondContact OD1-CB 3.22Å; D462-T488 PolarHBondContact OD1-N 2.93Å; D462-T488 WeakPolarHBondContact OD2-CB 3.48Å; D462-T488 WeakPolarHBondContact OD2-CG2 3.49Å; D462-T488 PolarHBondContact OD2-N 3.05Å; D462-T488 PolarHBondContact OD2-OG1 2.94Å; D462-C491 HydrophobicContact CB-CB 4.45Å; D462-C491 WeakPolarHBondContact OD1-CB 3.46Å |
| 463 | A | 92.6 | Very high | 88.8 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.5 | -26.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T461 R467 | T461-A463 PolarHBondContact O-N 3.04Å; A463-R467 WeakPolarHBondContact O-CB 3.4Å; A463-R467 VanDerWaalsContact O-CG 3.22Å; A463-R467 WeakPolarHBondContact O-CG 3.39Å; A463-R467 PolarHBondContact O-N 3.45Å; A463-R467 PolarHBondContact O-NE 3.12Å; A463-R467 VanDerWaalsContact O-NE 3.16Å |
| 464 | D | 91.2 | Very high | 88.5 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75.3 | -45.6 | 173.9 | -59.5 | -52.6 | 0 | 0 | 0 | 110.7 | S460 T461 D462 R467 L468 | S460-D464 WeakPolarHBondContact CA-OD2 3.32Å; T461-D464 PolarHBondContact N-OD2 3.03Å; T461-D464 WeakPolarHBondContact O-CB 3.23Å; T461-D464 PolarHBondContact O-N 3.15Å; T461-D464 PolarHBondContact OG1-N 3.03Å; T461-D464 PolarHBondContact OG1-OD2 3.12Å; D462-D464 VanDerWaalsContact C-N 3.32Å; D462-D464 PolarHBondContact O-N 3.43Å; D464-R467 PolarHBondContact O-N 3.26Å; D464-R467 IonicContact OD1-CZ 3.71Å; D464-R467 IonicContact OD1-NH2 2.68Å; D464-R467 PolarHBondContact OD1-NH2 3.43Å; D464-L468 WeakPolarHBondContact O-CB 3.36Å; D464-L468 PolarHBondContact O-N 2.82Å |
| 465 | L | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.7 | -169.8 | 72.4 | 0 | 0 | 0 | 111.2 | L456 T461 D462 R467 L468 L469 L480 L482 C491 L495 | L456-L465 HydrophobicContact CD1-CD1 4.01Å; L456-L465 HydrophobicContact CD2-CB 4.39Å; L456-L465 HydrophobicContact CD2-CD1 3.88Å; T461-L465 PolarHBondContact O-N 3.39Å; T461-L465 VanDerWaalsContact O-N 3.12Å; D462-L465 PolarHBondContact O-N 3.4Å; L465-R467 PolarHBondContact O-N 3.1Å; L465-L468 PolarHBondContact O-N 3.41Å; L465-L469 HydrophobicContact CD1-CD1 4.01Å; L465-L469 HydrophobicContact CD1-CG 4.16Å; L465-L469 HydrophobicContact CD2-CD1 4.25Å; L465-L469 HydrophobicContact CG-CD1 3.86Å; L465-L469 HydrophobicContact CG-CG 4.2Å; L465-L469 WeakPolarHBondContact O-CB 3.31Å; L465-L469 WeakPolarHBondContact O-CG 3.42Å; L465-L469 PolarHBondContact O-N 3.26Å; L465-L480 HydrophobicContact CD1-CD2 4.49Å; L465-L482 HydrophobicContact CD1-CD2 4.07Å; L465-L482 HydrophobicContact CD2-CD1 4.21Å; L465-C491 HydrophobicContact CD2-CB 3.78Å; L465-L495 HydrophobicContact CD2-CD2 3.87Å; L465-L495 HydrophobicContact CD2-CG 4.21Å |
| 466 | A | 91.5 | Very high | 87.6 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D462 S470 H494 | D462-A466 WeakPolarHBondContact O-CB 3.46Å; D462-A466 PolarHBondContact O-N 3.17Å; A466-S470 VanDerWaalsContact O-CB 3.27Å; A466-S470 WeakPolarHBondContact O-CB 3.37Å; A466-S470 PolarHBondContact O-N 3.05Å; A466-S470 PolarHBondContact O-OG 3.16Å; A466-H494 VanDerWaalsContact CB-CE1 3.42Å; A466-H494 WeakPolarHBondContact CB-CE1 3.37Å; A466-H494 WeakPolarHBondContact CB-NE2 3.44Å |
| 467 | R | 88.9 | Confident | 87.6 | Confident | 175 Ų | 175 | 56.1 Ų | 56.1 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 176.6 | -75.6 | -176.3 | -64.2 | 175.3 | 1.2 | 112.6 | A463 D464 L465 | A463-R467 WeakPolarHBondContact O-CB 3.4Å; A463-R467 VanDerWaalsContact O-CG 3.22Å; A463-R467 WeakPolarHBondContact O-CG 3.39Å; A463-R467 PolarHBondContact O-N 3.45Å; A463-R467 PolarHBondContact O-NE 3.12Å; A463-R467 VanDerWaalsContact O-NE 3.16Å; D464-R467 PolarHBondContact O-N 3.26Å; D464-R467 IonicContact OD1-CZ 3.71Å; D464-R467 IonicContact OD1-NH2 2.68Å; D464-R467 PolarHBondContact OD1-NH2 3.43Å; L465-R467 PolarHBondContact O-N 3.1Å |
| 468 | L | 87.3 | Confident | 87.7 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 32% | 0.319 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -55 | 179.2 | -174.2 | 61.3 | 0 | 0 | 0 | 110.9 | L454 L456 D464 L465 S470 S471 F474 | L454-L468 HydrophobicContact CD2-CD2 3.82Å; L456-L468 HydrophobicContact CD1-CD2 4.2Å; L456-L468 HydrophobicContact CD2-CD2 4.4Å; L456-L468 HydrophobicContact CG-CD2 4.43Å; D464-L468 WeakPolarHBondContact O-CB 3.36Å; D464-L468 PolarHBondContact O-N 2.82Å; L465-L468 PolarHBondContact O-N 3.41Å; L468-S470 VanDerWaalsContact C-N 3.27Å; L468-S470 PolarHBondContact O-N 3.46Å; L468-S471 WeakPolarHBondContact O-CB 3.38Å; L468-S471 PolarHBondContact O-N 3.5Å; L468-S471 PolarHBondContact O-OG 3.37Å; L468-F474 HydrophobicContact CD1-CE2 4.15Å; L468-F474 HydrophobicContact CD1-CZ 3.76Å; L468-F474 HydrophobicContact CD2-CZ 4.45Å; L468-F474 HydrophobicContact CG-CE2 4Å; L468-F474 HydrophobicContact CG-CZ 3.8Å; L468-F474 VanDerWaalsContact O-CE2 3.3Å; L468-F474 WeakPolarHBondContact O-CE2 3.41Å |
| 469 | L | 86.4 | Confident | 88 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.9 | -24.1 | -176.5 | -63 | -173.5 | 0 | 0 | 0 | 113.3 | L465 S471 G472 F474 H494 L498 | L465-L469 HydrophobicContact CD1-CD1 4.01Å; L465-L469 HydrophobicContact CD1-CG 4.16Å; L465-L469 HydrophobicContact CD2-CD1 4.25Å; L465-L469 HydrophobicContact CG-CD1 3.86Å; L465-L469 HydrophobicContact CG-CG 4.2Å; L465-L469 WeakPolarHBondContact O-CB 3.31Å; L465-L469 WeakPolarHBondContact O-CG 3.42Å; L465-L469 PolarHBondContact O-N 3.26Å; L469-S471 PolarHBondContact O-N 3.07Å; L469-G472 PolarHBondContact O-N 3.08Å; L469-F474 HydrophobicContact CD2-CB 4.04Å; L469-F474 HydrophobicContact CD2-CD1 4.38Å; L469-F474 HydrophobicContact CD2-CD2 3.71Å; L469-F474 HydrophobicContact CD2-CE2 4.3Å; L469-F474 HydrophobicContact CD2-CG 3.77Å; L469-H494 HydrophobicContact CD1-CB 4.02Å; L469-L498 HydrophobicContact CD1-CD1 4.13Å; L469-L498 HydrophobicContact CD1-CD2 4.36Å; L469-L498 HydrophobicContact CD1-CG 4.35Å; L469-L498 HydrophobicContact CD2-CD2 3.97Å |
| 470 | S | 83.2 | Confident | 88.2 | Confident | 93 Ų | 93 | 44.9 Ų | 44.9 | 65% | 0.65 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.5 | 174.6 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | A466 L468 G472 | A466-S470 VanDerWaalsContact O-CB 3.27Å; A466-S470 WeakPolarHBondContact O-CB 3.37Å; A466-S470 PolarHBondContact O-N 3.05Å; A466-S470 PolarHBondContact O-OG 3.16Å; L468-S470 VanDerWaalsContact C-N 3.27Å; L468-S470 PolarHBondContact O-N 3.46Å; S470-G472 PolarHBondContact O-N 3.25Å |
| 471 | S | 74.2 | Confident | 88.4 | Confident | 68 Ų | 68 | 45.4 Ų | 45.4 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 4.6 | 174 | 67.9 | 0 | 0 | 0 | 0 | 114.6 | L468 L469 S473 F474 | L468-S471 WeakPolarHBondContact O-CB 3.38Å; L468-S471 PolarHBondContact O-N 3.5Å; L468-S471 PolarHBondContact O-OG 3.37Å; L469-S471 PolarHBondContact O-N 3.07Å; S471-S473 PolarHBondContact O-N 3.38Å; S471-S473 PolarHBondContact O-OG 3.03Å; S471-F474 WeakPolarHBondContact OG-CE2 3.29Å |
| 472 | G | 68.4 | Low | 88.5 | Confident | 71 Ų | 71 | 43 Ų | 43 | 73% | 0.732 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 70 | 6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | L469 S470 | L469-G472 PolarHBondContact O-N 3.08Å; S470-G472 PolarHBondContact O-N 3.25Å |
| 473 | S | 75.8 | Confident | 88.6 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | trans | -117.4 | 40.4 | -164.5 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | Q446 G450 S471 | Q446-S473 WeakPolarHBondContact CG-OG 3.28Å; G450-S473 WeakPolarHBondContact CA-O 3.38Å; S471-S473 PolarHBondContact O-N 3.38Å; S471-S473 PolarHBondContact O-OG 3.03Å | ||
| 474 | F | 86.1 | Confident | 88.8 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 10% | 0.101 | 26% | 0.26 | C | S | . | . | trans | -134.7 | 20.1 | -176.4 | -65.4 | -79.8 | 0 | 0 | 0 | 113.9 | G449 P451 L454 L468 L469 S471 N476 L477 L498 | G449-F474 CarbonylContact O-C 3.26Å; P451-F474 HydrophobicContact CG-CD1 3.85Å; P451-F474 HydrophobicContact CG-CE1 3.62Å; L454-F474 HydrophobicContact CD2-CD1 4.21Å; L454-F474 HydrophobicContact CD2-CE1 3.82Å; L468-F474 HydrophobicContact CD1-CE2 4.15Å; L468-F474 HydrophobicContact CD1-CZ 3.76Å; L468-F474 HydrophobicContact CD2-CZ 4.45Å; L468-F474 HydrophobicContact CG-CE2 4Å; L468-F474 HydrophobicContact CG-CZ 3.8Å; L468-F474 VanDerWaalsContact O-CE2 3.3Å; L468-F474 WeakPolarHBondContact O-CE2 3.41Å; L469-F474 HydrophobicContact CD2-CB 4.04Å; L469-F474 HydrophobicContact CD2-CD1 4.38Å; L469-F474 HydrophobicContact CD2-CD2 3.71Å; L469-F474 HydrophobicContact CD2-CE2 4.3Å; L469-F474 HydrophobicContact CD2-CG 3.77Å; S471-F474 WeakPolarHBondContact OG-CE2 3.29Å; F474-N476 PolarHBondContact O-N 2.91Å; F474-L477 HydrophobicContact CB-CB 4.29Å; F474-L477 HydrophobicContact CB-CD2 4.47Å; F474-L477 HydrophobicContact CD1-CD2 4.16Å; F474-L477 VanDerWaalsContact O-CB 3.28Å; F474-L477 WeakPolarHBondContact O-CB 3.42Å; F474-L477 PolarHBondContact O-N 3.43Å; F474-L477 VanDerWaalsContact O-N 3.13Å; F474-L498 HydrophobicContact CB-CD2 3.8Å | ||
| 475 | G | 82.1 | Confident | 89.1 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G449 S500 | G449-G475 PolarHBondContact O-N 3.35Å; G475-S500 VanDerWaalsContact O-CB 3.25Å; G475-S500 WeakPolarHBondContact O-CB 3.35Å; G475-S500 PolarHBondContact O-OG 2.93Å |
| 476 | N | 88.1 | Confident | 89.3 | Confident | 73 Ų | 73 | 47 Ų | 47 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 12.8 | 179.3 | -70.5 | -9.9 | 0 | 0 | 0 | 113.8 | K448 G449 T452 F474 E478 | K448-N476 PolarHBondContact O-ND2 3.17Å; G449-N476 PolarHBondContact O-N 2.93Å; T452-N476 WeakPolarHBondContact CA-O 3.49Å; F474-N476 PolarHBondContact O-N 2.91Å; N476-E478 PolarHBondContact O-N 2.77Å; N476-E478 VanDerWaalsContact O-N 3.17Å |
| 477 | L | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -71.3 | 109 | 179.4 | -176.8 | 60.2 | 0 | 0 | 0 | 110.8 | P451 L454 F474 N479 L480 L498 S500 L501 | P451-L477 WeakPolarHBondContact O-CA 3.34Å; P451-L477 WeakPolarHBondContact O-CD1 3.36Å; L454-L477 HydrophobicContact CB-CD1 3.59Å; L454-L477 HydrophobicContact CB-CD2 4.16Å; L454-L477 HydrophobicContact CD2-CD2 4.01Å; F474-L477 HydrophobicContact CB-CB 4.29Å; F474-L477 HydrophobicContact CB-CD2 4.47Å; F474-L477 HydrophobicContact CD1-CD2 4.16Å; F474-L477 VanDerWaalsContact O-CB 3.28Å; F474-L477 WeakPolarHBondContact O-CB 3.42Å; F474-L477 PolarHBondContact O-N 3.43Å; F474-L477 VanDerWaalsContact O-N 3.13Å; L477-N479 WeakPolarHBondContact CD1-O 3.47Å; L477-L480 HydrophobicContact CD2-CB 4.35Å; L477-L480 HydrophobicContact CD2-CD1 4.39Å; L477-L498 HydrophobicContact CB-CD2 4.4Å; L477-L498 HydrophobicContact CD2-CD1 4Å; L477-L498 HydrophobicContact CD2-CD2 4.12Å; L477-S500 CarbonylContact O-C 3.58Å; L477-L501 HydrophobicContact CG-CD1 4.36Å; L477-L501 WeakPolarHBondContact O-CA 3.41Å; L477-L501 PolarHBondContact O-N 3.25Å | ||
| 478 | E | 95.3 | Very high | 89.9 | Confident | 65 Ų | 65 | 40.4 Ų | 40.4 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | trans | -96.4 | -30.2 | -179 | -54.6 | -157.7 | 162.3 | 0 | 0 | 113 | T452 N476 S500 K502 Q503 | T452-E478 PolarHBondContact O-N 3.23Å; N476-E478 PolarHBondContact O-N 2.77Å; N476-E478 VanDerWaalsContact O-N 3.17Å; E478-S500 WeakPolarHBondContact CA-O 3.45Å; E478-K502 HydrophobicContact CB-CD 4.44Å; E478-K502 PolarHBondContact O-N 3.28Å; E478-K502 WeakPolarHBondContact OE1-CE 3.48Å; E478-K502 IonicContact OE1-NZ 2.83Å; E478-K502 PolarHBondContact OE1-NZ 3.03Å; E478-K502 WeakPolarHBondContact OE2-CE 3.4Å; E478-K502 IonicContact OE2-NZ 3.78Å; E478-K502 PolarHBondContact OE2-NZ 2.92Å; E478-Q503 PolarHBondContact O-N 3.43Å | ||
| 479 | N | 96.9 | Very high | 90.4 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 118.3 | -178.1 | -52.2 | 78.4 | 0 | 0 | 0 | 110.9 | T452 R453 L454 L477 Q503 | T452-N479 PolarHBondContact O-N 3.3Å; R453-N479 CarbonylContact C-O 3.58Å; R453-N479 WeakPolarHBondContact CA-O 3.49Å; R453-N479 HydrophobicContact CB-CB 4.18Å; R453-N479 HydrophobicContact CG-CB 3.94Å; R453-N479 PolarHBondContact NH1-ND2 3.08Å; R453-N479 VanDerWaalsContact NH1-ND2 3.16Å; L454-N479 PolarHBondContact N-O 2.81Å; L477-N479 WeakPolarHBondContact CD1-O 3.47Å; N479-Q503 WeakPolarHBondContact CA-O 3.4Å; N479-Q503 HydrophobicContact CB-CB 4.36Å; N479-Q503 WeakPolarHBondContact ND2-CG 3.47Å; N479-Q503 PolarHBondContact ND2-OE1 3.46Å |
| 480 | L | 97.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.2 | 174.3 | 180 | 56.7 | 0 | 0 | 0 | 110.9 | L454 L456 L465 L477 L482 L495 L498 L501 Q503 L504 N505 | L454-L480 HydrophobicContact CB-CD1 4.04Å; L454-L480 HydrophobicContact CD2-CD1 3.94Å; L454-L480 HydrophobicContact CG-CD1 4.01Å; L454-L480 WeakPolarHBondContact O-CA 3.48Å; L456-L480 HydrophobicContact CD1-CD1 3.82Å; L465-L480 HydrophobicContact CD1-CD2 4.49Å; L477-L480 HydrophobicContact CD2-CB 4.35Å; L477-L480 HydrophobicContact CD2-CD1 4.39Å; L480-L482 HydrophobicContact CD1-CD2 3.95Å; L480-L482 HydrophobicContact CD1-CG 4.46Å; L480-L482 HydrophobicContact CD2-CD1 4.37Å; L480-L482 HydrophobicContact CD2-CD2 4.32Å; L480-L482 HydrophobicContact CD2-CG 4.33Å; L480-L482 HydrophobicContact CG-CD2 4.09Å; L480-L482 HydrophobicContact CG-CG 4.08Å; L480-L495 HydrophobicContact CD2-CD2 3.33Å; L480-L498 HydrophobicContact CD2-CD1 3.9Å; L480-L501 HydrophobicContact CB-CD1 3.73Å; L480-Q503 PolarHBondContact N-O 3.01Å; L480-L504 HydrophobicContact CB-CD1 4.21Å; L480-L504 HydrophobicContact CD2-CD1 4.25Å; L480-L504 HydrophobicContact CG-CD1 4.22Å; L480-L504 WeakPolarHBondContact O-CA 3.23Å; L480-N505 PolarHBondContact O-N 3.47Å |
| 481 | S | 97.3 | Very high | 91.4 | Very high | 24 Ų | 24 | 36.4 Ų | 36.4 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.2 | 171.7 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | L454 T455 L456 N505 | L454-S481 PolarHBondContact O-N 3.23Å; T455-S481 WeakPolarHBondContact CA-O 3.26Å; L456-S481 PolarHBondContact N-O 3.46Å; S481-N505 PolarHBondContact OG-ND2 3.12Å |
| 482 | L | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -111.1 | 16.9 | 172.2 | -55.7 | -178.4 | 0 | 0 | 0 | 111.1 | L456 L465 L480 F484 T485 V487 L495 L504 N505 L506 T509 | L456-L482 HydrophobicContact CB-CD2 4.22Å; L456-L482 HydrophobicContact CD1-CD2 3.77Å; L456-L482 HydrophobicContact CD2-CD2 4.34Å; L456-L482 HydrophobicContact CG-CD2 4.32Å; L465-L482 HydrophobicContact CD1-CD2 4.07Å; L465-L482 HydrophobicContact CD2-CD1 4.21Å; L480-L482 HydrophobicContact CD1-CD2 3.95Å; L480-L482 HydrophobicContact CD1-CG 4.46Å; L480-L482 HydrophobicContact CD2-CD1 4.37Å; L480-L482 HydrophobicContact CD2-CD2 4.32Å; L480-L482 HydrophobicContact CD2-CG 4.33Å; L480-L482 HydrophobicContact CG-CD2 4.09Å; L480-L482 HydrophobicContact CG-CG 4.08Å; L482-F484 PolarHBondContact O-N 2.99Å; L482-T485 WeakPolarHBondContact O-CB 3.28Å; L482-T485 VanDerWaalsContact O-CG2 3.31Å; L482-T485 WeakPolarHBondContact O-CG2 3.45Å; L482-T485 PolarHBondContact O-N 3.11Å; L482-T485 PolarHBondContact O-OG1 3.46Å; L482-V487 HydrophobicContact CB-CG2 4.21Å; L482-V487 HydrophobicContact CD1-CG2 4.2Å; L482-L495 HydrophobicContact CD1-CD1 4.35Å; L482-L495 HydrophobicContact CD1-CD2 4.23Å; L482-L504 HydrophobicContact CD1-CD1 4.42Å; L482-N505 CarbonylContact C-O 3.56Å; L482-N505 WeakPolarHBondContact CA-O 3.47Å; L482-N505 PolarHBondContact N-O 2.98Å; L482-L506 HydrophobicContact CB-CD2 4.25Å; L482-L506 HydrophobicContact CD1-CD2 3.91Å; L482-T509 WeakPolarHBondContact O-CG2 3.14Å | ||
| 483 | A | 96.8 | Very high | 93.6 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 137.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | T485 N505 W507 | A483-T485 PolarHBondContact O-N 2.89Å; A483-N505 PolarHBondContact N-O 3.18Å; A483-W507 CarbonylContact C-O 3.28Å; A483-W507 VanDerWaalsContact CA-O 3.26Å; A483-W507 WeakPolarHBondContact CA-O 3.24Å; A483-W507 HydrophobicContact CB-CB 4.08Å |
| 484 | F | 96.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 36.7 Ų | 36.7 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 24.3 | -176.8 | -49.2 | -76.8 | 0 | 0 | 0 | 114.5 | S458 L482 W507 | S458-F484 CarbonylContact C-O 3.53Å; S458-F484 WeakPolarHBondContact CA-O 3.46Å; S458-F484 WeakPolarHBondContact CB-O 3.43Å; S458-F484 VanDerWaalsContact O-O 3.05Å; L482-F484 PolarHBondContact O-N 2.99Å; F484-W507 HydrophobicContact CE1-CD2 4.32Å; F484-W507 HydrophobicContact CE1-CZ2 4.34Å; F484-W507 HydrophobicContact CE2-CD2 4.1Å; F484-W507 AromaticContact CE2-CE3 3.77Å; F484-W507 HydrophobicContact CE2-CE3 3.77Å; F484-W507 HydrophobicContact CE2-CH2 4.32Å; F484-W507 AromaticContact CE2-CZ3 3.89Å; F484-W507 HydrophobicContact CE2-CZ3 3.89Å; F484-W507 AromaticContact CZ-CD2 3.67Å; F484-W507 HydrophobicContact CZ-CD2 3.67Å; F484-W507 AromaticContact CZ-CE2 3.62Å; F484-W507 AromaticContact CZ-CE3 3.7Å; F484-W507 HydrophobicContact CZ-CE3 3.7Å; F484-W507 HydrophobicContact CZ-CG 4.44Å; F484-W507 AromaticContact CZ-CH2 3.72Å; F484-W507 HydrophobicContact CZ-CH2 3.72Å; F484-W507 AromaticContact CZ-CZ2 3.66Å; F484-W507 HydrophobicContact CZ-CZ2 3.66Å; F484-W507 AromaticContact CZ-CZ3 3.73Å; F484-W507 HydrophobicContact CZ-CZ3 3.73Å; F484-W507 PolarHBondContact N-O 2.9Å |
| 485 | T | 97.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | trans | -96.6 | 155.7 | 176.6 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | L456 P457 S458 L482 A483 V487 | L456-T485 HydrophobicContact CB-CG2 4.29Å; P457-T485 WeakPolarHBondContact O-CG2 3.49Å; S458-T485 WeakPolarHBondContact O-CA 3.4Å; L482-T485 WeakPolarHBondContact O-CB 3.28Å; L482-T485 VanDerWaalsContact O-CG2 3.31Å; L482-T485 WeakPolarHBondContact O-CG2 3.45Å; L482-T485 PolarHBondContact O-N 3.11Å; L482-T485 PolarHBondContact O-OG1 3.46Å; A483-T485 PolarHBondContact O-N 2.89Å; T485-V487 PolarHBondContact O-N 2.85Å; T485-V487 WeakPolarHBondContact OG1-CG1 3.48Å; T485-V487 VanDerWaalsContact OG1-CG2 3.29Å; T485-V487 WeakPolarHBondContact OG1-CG2 3.46Å | ||
| 486 | N | 96.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 36.3 Ų | 36.3 | 56% | 0.556 | 20% | 0.199 | S | C | * | . | B | Isolated β-bridge | trans | -80.7 | 31 | 176.9 | -65.7 | -32.3 | 0 | 0 | 0 | 112.6 | S460 T461 | S460-N486 CarbonylContact O-C 3.17Å; S460-N486 WeakPolarHBondContact O-CA 3.34Å; S460-N486 WeakPolarHBondContact O-CB 3.34Å; S460-N486 PolarHBondContact O-N 2.69Å; T461-N486 HydrophobicContact CG2-CB 4.37Å |
| 487 | V | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -79.4 | 149.2 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | D462 L482 T485 C491 L506 T509 Q510 | D462-V487 WeakPolarHBondContact OD1-CA 3.17Å; D462-V487 WeakPolarHBondContact OD1-CB 3.22Å; L482-V487 HydrophobicContact CB-CG2 4.21Å; L482-V487 HydrophobicContact CD1-CG2 4.2Å; T485-V487 PolarHBondContact O-N 2.85Å; T485-V487 WeakPolarHBondContact OG1-CG1 3.48Å; T485-V487 VanDerWaalsContact OG1-CG2 3.29Å; T485-V487 WeakPolarHBondContact OG1-CG2 3.46Å; V487-C491 HydrophobicContact CB-CB 4.48Å; V487-L506 HydrophobicContact CG2-CD2 4.5Å; V487-T509 HydrophobicContact CG2-CG2 3.73Å; V487-Q510 PolarHBondContact O-N 3.38Å | ||
| 488 | T | 96.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -119.3 | -179.9 | 178.3 | 82.3 | 0 | 0 | 0 | 0 | 111 | D462 A490 C491 Q510 | D462-T488 PolarHBondContact OD1-N 2.93Å; D462-T488 WeakPolarHBondContact OD2-CB 3.48Å; D462-T488 WeakPolarHBondContact OD2-CG2 3.49Å; D462-T488 PolarHBondContact OD2-N 3.05Å; D462-T488 PolarHBondContact OD2-OG1 2.94Å; T488-A490 PolarHBondContact O-N 3.48Å; T488-A490 VanDerWaalsContact O-N 3.08Å; T488-A490 WeakPolarHBondContact OG1-CB 3.33Å; T488-A490 PolarHBondContact OG1-N 3.36Å; T488-A490 VanDerWaalsContact OG1-N 3.13Å; T488-C491 PolarHBondContact O-N 2.94Å; T488-C491 VanDerWaalsContact O-N 3.16Å; T488-C491 PolarHBondContact O-SG 3.33Å; T488-Q510 WeakPolarHBondContact CA-O 3.35Å; T488-Q510 HydrophobicContact CG2-CB 4.24Å |
| 489 | S | 96.6 | Very high | 95 | Very high | 33 Ų | 33 | 41 Ų | 41 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -55.9 | -22.3 | 172.2 | -62.1 | 0 | 0 | 0 | 0 | 114.1 | C491 A492 G512 | S489-C491 PolarHBondContact O-N 2.97Å; S489-A492 VanDerWaalsContact O-CB 3.23Å; S489-A492 WeakPolarHBondContact O-CB 3.1Å; S489-A492 PolarHBondContact O-N 3.35Å; S489-A492 VanDerWaalsContact O-N 3.15Å; S489-G512 PolarHBondContact OG-N 3.16Å; S489-G512 PolarHBondContact OG-O 2.91Å |
| 490 | A | 95.3 | Very high | 94.8 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 50% | 0.496 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -64.4 | -25.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T488 A492 | T488-A490 PolarHBondContact O-N 3.48Å; T488-A490 VanDerWaalsContact O-N 3.08Å; T488-A490 WeakPolarHBondContact OG1-CB 3.33Å; T488-A490 PolarHBondContact OG1-N 3.36Å; T488-A490 VanDerWaalsContact OG1-N 3.13Å; A490-A492 PolarHBondContact O-N 2.9Å |
| 491 | C | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -67.3 | -16.1 | 176 | 77.9 | 0 | 0 | 0 | 0 | 113.8 | D462 L465 V487 T488 S489 E493 H494 L495 | D462-C491 HydrophobicContact CB-CB 4.45Å; D462-C491 WeakPolarHBondContact OD1-CB 3.46Å; L465-C491 HydrophobicContact CD2-CB 3.78Å; V487-C491 HydrophobicContact CB-CB 4.48Å; T488-C491 PolarHBondContact O-N 2.94Å; T488-C491 VanDerWaalsContact O-N 3.16Å; T488-C491 PolarHBondContact O-SG 3.33Å; S489-C491 PolarHBondContact O-N 2.97Å; C491-E493 VanDerWaalsContact C-N 3.27Å; C491-E493 PolarHBondContact O-N 3.34Å; C491-H494 WeakPolarHBondContact O-CB 3.26Å; C491-H494 PolarHBondContact O-N 3.08Å; C491-L495 PolarHBondContact O-N 3.41Å; C491-L495 VanDerWaalsContact O-N 3.09Å |
| 492 | A | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.2 | -36.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S489 A490 H494 L495 I496 F511 L518 L519 | S489-A492 VanDerWaalsContact O-CB 3.23Å; S489-A492 WeakPolarHBondContact O-CB 3.1Å; S489-A492 PolarHBondContact O-N 3.35Å; S489-A492 VanDerWaalsContact O-N 3.15Å; A490-A492 PolarHBondContact O-N 2.9Å; A492-H494 PolarHBondContact O-N 3.27Å; A492-H494 VanDerWaalsContact O-N 3.12Å; A492-L495 PolarHBondContact O-N 3.29Å; A492-L495 VanDerWaalsContact O-N 3.07Å; A492-I496 WeakPolarHBondContact O-CG2 3.49Å; A492-I496 PolarHBondContact O-N 3.22Å; A492-F511 HydrophobicContact CB-CE2 4.08Å; A492-F511 HydrophobicContact CB-CZ 4Å; A492-L518 HydrophobicContact CB-CB 4.34Å; A492-L518 HydrophobicContact CB-CD2 3.83Å; A492-L519 HydrophobicContact CB-CD2 4.11Å |
| 493 | E | 94.5 | Very high | 94.7 | Very high | 123 Ų | 123 | 47.3 Ų | 47.3 | 58% | 0.575 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.2 | -18.3 | 175.9 | -65.3 | -172 | -174.9 | 0 | 0 | 114 | C491 K497 L518 | C491-E493 VanDerWaalsContact C-N 3.27Å; C491-E493 PolarHBondContact O-N 3.34Å; E493-K497 WeakPolarHBondContact O-CE 3.49Å; E493-K497 PolarHBondContact O-NZ 3.45Å; E493-L518 HydrophobicContact CG-CD2 3.98Å |
| 494 | H | 93.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 20% | 0.199 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -95.7 | -35.1 | 172.9 | -59.5 | -83.6 | 0 | 0 | 0 | 111.5 | A466 L469 C491 A492 K497 | A466-H494 VanDerWaalsContact CB-CE1 3.42Å; A466-H494 WeakPolarHBondContact CB-CE1 3.37Å; A466-H494 WeakPolarHBondContact CB-NE2 3.44Å; L469-H494 HydrophobicContact CD1-CB 4.02Å; C491-H494 WeakPolarHBondContact O-CB 3.26Å; C491-H494 PolarHBondContact O-N 3.08Å; A492-H494 PolarHBondContact O-N 3.27Å; A492-H494 VanDerWaalsContact O-N 3.12Å; H494-K497 WeakPolarHBondContact O-CB 3.45Å; H494-K497 PolarHBondContact O-N 3.42Å |
| 495 | L | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.7 | -67.7 | 179.2 | 0 | 0 | 0 | 113.1 | L465 L480 L482 C491 A492 K497 L498 L504 F511 L519 | L465-L495 HydrophobicContact CD2-CD2 3.87Å; L465-L495 HydrophobicContact CD2-CG 4.21Å; L480-L495 HydrophobicContact CD2-CD2 3.33Å; L482-L495 HydrophobicContact CD1-CD1 4.35Å; L482-L495 HydrophobicContact CD1-CD2 4.23Å; C491-L495 PolarHBondContact O-N 3.41Å; C491-L495 VanDerWaalsContact O-N 3.09Å; A492-L495 PolarHBondContact O-N 3.29Å; A492-L495 VanDerWaalsContact O-N 3.07Å; L495-K497 PolarHBondContact O-N 3.46Å; L495-L498 HydrophobicContact CD2-CD1 4.16Å; L495-L498 WeakPolarHBondContact O-CB 3.45Å; L495-L498 PolarHBondContact O-N 3.02Å; L495-L498 VanDerWaalsContact O-N 3.11Å; L495-L504 HydrophobicContact CD1-CD1 4.45Å; L495-L504 HydrophobicContact CD1-CD2 4.1Å; L495-L504 HydrophobicContact CD2-CD1 4.45Å; L495-F511 HydrophobicContact CD1-CE2 4.2Å; L495-L519 HydrophobicContact CB-CD2 3.76Å; L495-L519 HydrophobicContact CD1-CD1 4.45Å; L495-L519 HydrophobicContact CD1-CD2 4.1Å |
| 496 | I | 93 | Very high | 94.9 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -10.6 | 177.9 | 63.5 | 171.6 | 0 | 0 | 0 | 114 | A492 L498 L518 L519 H522 | A492-I496 WeakPolarHBondContact O-CG2 3.49Å; A492-I496 PolarHBondContact O-N 3.22Å; I496-L498 VanDerWaalsContact C-N 3.28Å; I496-L518 HydrophobicContact CD1-CD1 4.44Å; I496-L518 HydrophobicContact CD1-CD2 4.1Å; I496-L518 HydrophobicContact CD1-CG 4.21Å; I496-L518 HydrophobicContact CG2-CD2 4.4Å; I496-L518 HydrophobicContact CG2-CG 4.09Å; I496-L519 HydrophobicContact CG2-CD2 4.09Å; I496-H522 HydrophobicContact CB-CB 3.77Å; I496-H522 HydrophobicContact CG2-CB 3.64Å |
| 497 | K | 90.9 | Very high | 95 | Very high | 135 Ų | 135 | 43.1 Ų | 43.1 | 59% | 0.587 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 7.7 | 176.5 | -59.9 | 171.1 | 178.7 | 137.7 | 0 | 112.8 | E493 H494 L495 P499 | E493-K497 WeakPolarHBondContact O-CE 3.49Å; E493-K497 PolarHBondContact O-NZ 3.45Å; H494-K497 WeakPolarHBondContact O-CB 3.45Å; H494-K497 PolarHBondContact O-N 3.42Å; L495-K497 PolarHBondContact O-N 3.46Å; K497-P499 WeakPolarHBondContact O-CD 3.28Å |
| 498 | L | 92.3 | Very high | 95 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | trans | -104 | 85.8 | 178.7 | -60.6 | 174.2 | 0 | 0 | 0 | 110.3 | L469 F474 L477 L480 L495 I496 S500 L501 | L469-L498 HydrophobicContact CD1-CD1 4.13Å; L469-L498 HydrophobicContact CD1-CD2 4.36Å; L469-L498 HydrophobicContact CD1-CG 4.35Å; L469-L498 HydrophobicContact CD2-CD2 3.97Å; F474-L498 HydrophobicContact CB-CD2 3.8Å; L477-L498 HydrophobicContact CB-CD2 4.4Å; L477-L498 HydrophobicContact CD2-CD1 4Å; L477-L498 HydrophobicContact CD2-CD2 4.12Å; L480-L498 HydrophobicContact CD2-CD1 3.9Å; L495-L498 HydrophobicContact CD2-CD1 4.16Å; L495-L498 WeakPolarHBondContact O-CB 3.45Å; L495-L498 PolarHBondContact O-N 3.02Å; L495-L498 VanDerWaalsContact O-N 3.11Å; I496-L498 VanDerWaalsContact C-N 3.28Å; L498-S500 PolarHBondContact O-N 2.94Å; L498-L501 HydrophobicContact CB-CB 3.99Å; L498-L501 HydrophobicContact CD1-CD1 4.42Å; L498-L501 HydrophobicContact CD1-CD2 4.17Å; L498-L501 WeakPolarHBondContact O-CB 2.94Å; L498-L501 PolarHBondContact O-N 3.36Å | ||
| 499 | P | 84.9 | Confident | 95 | Very high | 96 Ų | 96 | 42.6 Ų | 42.6 | 62% | 0.623 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22 | -168.8 | 28.2 | -37 | 0 | 0 | 0 | 114.1 | K497 | K497-P499 WeakPolarHBondContact O-CD 3.28Š|
| 500 | S | 91.5 | Very high | 95 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 4.8 | -178.1 | -56 | 0 | 0 | 0 | 0 | 113.9 | G475 L477 E478 L498 K502 | G475-S500 VanDerWaalsContact O-CB 3.25Å; G475-S500 WeakPolarHBondContact O-CB 3.35Å; G475-S500 PolarHBondContact O-OG 2.93Å; L477-S500 CarbonylContact O-C 3.58Å; E478-S500 WeakPolarHBondContact CA-O 3.45Å; L498-S500 PolarHBondContact O-N 2.94Å; S500-K502 PolarHBondContact O-N 3.01Å |
| 501 | L | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -70.2 | 117.3 | -170.6 | -164.4 | 70.3 | 0 | 0 | 0 | 112 | L477 L480 L498 L504 L523 L526 | L477-L501 HydrophobicContact CG-CD1 4.36Å; L477-L501 WeakPolarHBondContact O-CA 3.41Å; L477-L501 PolarHBondContact O-N 3.25Å; L480-L501 HydrophobicContact CB-CD1 3.73Å; L498-L501 HydrophobicContact CB-CB 3.99Å; L498-L501 HydrophobicContact CD1-CD1 4.42Å; L498-L501 HydrophobicContact CD1-CD2 4.17Å; L498-L501 WeakPolarHBondContact O-CB 2.94Å; L498-L501 PolarHBondContact O-N 3.36Å; L501-L504 HydrophobicContact CD2-CB 4.23Å; L501-L504 HydrophobicContact CD2-CD1 4.42Å; L501-L523 HydrophobicContact CD2-CD1 4.03Å; L501-L526 HydrophobicContact CD2-CD1 4.27Å; L501-L526 HydrophobicContact CG-CD1 4.07Å | ||
| 502 | K | 97.2 | Very high | 95.2 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | trans | -108.9 | -27.3 | -180 | -65 | 172.5 | -161.8 | 164.5 | 0 | 112.6 | E478 S500 Q527 V528 | E478-K502 HydrophobicContact CB-CD 4.44Å; E478-K502 PolarHBondContact O-N 3.28Å; E478-K502 WeakPolarHBondContact OE1-CE 3.48Å; E478-K502 IonicContact OE1-NZ 2.83Å; E478-K502 PolarHBondContact OE1-NZ 3.03Å; E478-K502 WeakPolarHBondContact OE2-CE 3.4Å; E478-K502 IonicContact OE2-NZ 3.78Å; E478-K502 PolarHBondContact OE2-NZ 2.92Å; S500-K502 PolarHBondContact O-N 3.01Å; K502-Q527 HydrophobicContact CB-CG 4.45Å; K502-Q527 WeakPolarHBondContact O-CA 3.34Å; K502-Q527 PolarHBondContact O-N 3.37Å; K502-V528 PolarHBondContact O-N 2.89Å | ||
| 503 | Q | 98.1 | Very high | 95.3 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 36% | 0.36 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 125.4 | -178.6 | -51.4 | -165 | -6.4 | 0 | 0 | 110.9 | E478 N479 L480 V528 | E478-Q503 PolarHBondContact O-N 3.43Å; N479-Q503 WeakPolarHBondContact CA-O 3.4Å; N479-Q503 HydrophobicContact CB-CB 4.36Å; N479-Q503 WeakPolarHBondContact ND2-CG 3.47Å; N479-Q503 PolarHBondContact ND2-OE1 3.46Å; L480-Q503 PolarHBondContact N-O 3.01Å; Q503-V528 WeakPolarHBondContact CA-O 3.34Å; Q503-V528 HydrophobicContact CB-CB 4.05Å; Q503-V528 HydrophobicContact CG-CB 3.8Å; Q503-V528 HydrophobicContact CG-CG2 3.83Å |
| 504 | L | 98.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.8 | 177.6 | 178.5 | 60.6 | 0 | 0 | 0 | 110.1 | L480 L482 L495 L501 L506 L519 L526 V528 L529 N530 | L480-L504 HydrophobicContact CB-CD1 4.21Å; L480-L504 HydrophobicContact CD2-CD1 4.25Å; L480-L504 HydrophobicContact CG-CD1 4.22Å; L480-L504 WeakPolarHBondContact O-CA 3.23Å; L482-L504 HydrophobicContact CD1-CD1 4.42Å; L495-L504 HydrophobicContact CD1-CD1 4.45Å; L495-L504 HydrophobicContact CD1-CD2 4.1Å; L495-L504 HydrophobicContact CD2-CD1 4.45Å; L501-L504 HydrophobicContact CD2-CB 4.23Å; L501-L504 HydrophobicContact CD2-CD1 4.42Å; L504-L506 HydrophobicContact CD1-CD2 4.48Å; L504-L506 HydrophobicContact CD1-CG 4.32Å; L504-L506 HydrophobicContact CD2-CD1 3.87Å; L504-L506 HydrophobicContact CD2-CG 4.26Å; L504-L506 HydrophobicContact CG-CD1 4.12Å; L504-L506 HydrophobicContact CG-CG 4.01Å; L504-L519 HydrophobicContact CD2-CD1 3.52Å; L504-L526 HydrophobicContact CB-CD1 3.95Å; L504-L526 HydrophobicContact CB-CD2 4.31Å; L504-V528 PolarHBondContact N-O 3.35Å; L504-L529 HydrophobicContact CB-CD1 4.16Å; L504-L529 HydrophobicContact CD2-CD1 4.17Å; L504-L529 HydrophobicContact CG-CD1 4.23Å; L504-L529 WeakPolarHBondContact O-CA 3.31Å; L504-N530 PolarHBondContact O-N 2.97Å |
| 505 | N | 98.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 22% | 0.219 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114 | 177.2 | -177.5 | 12.4 | 0 | 0 | 0 | 110.4 | L480 S481 L482 A483 W507 N530 | L480-N505 PolarHBondContact O-N 3.47Å; S481-N505 PolarHBondContact OG-ND2 3.12Å; L482-N505 CarbonylContact C-O 3.56Å; L482-N505 WeakPolarHBondContact CA-O 3.47Å; L482-N505 PolarHBondContact N-O 2.98Å; A483-N505 PolarHBondContact N-O 3.18Å; N505-W507 WeakPolarHBondContact OD1-CB 3.03Å; N505-W507 PolarHBondContact OD1-N 3.35Å; N505-N530 HydrophobicContact CB-CB 4.42Å; N505-N530 WeakPolarHBondContact OD1-CB 3.36Å; N505-N530 PolarHBondContact OD1-ND2 3.45Å |
| 506 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -114.6 | 18.5 | -178.9 | -68.6 | 162.5 | 0 | 0 | 0 | 111.9 | L482 V487 L504 S508 T509 F511 L519 L529 N530 L531 T534 | L482-L506 HydrophobicContact CB-CD2 4.25Å; L482-L506 HydrophobicContact CD1-CD2 3.91Å; V487-L506 HydrophobicContact CG2-CD2 4.5Å; L504-L506 HydrophobicContact CD1-CD2 4.48Å; L504-L506 HydrophobicContact CD1-CG 4.32Å; L504-L506 HydrophobicContact CD2-CD1 3.87Å; L504-L506 HydrophobicContact CD2-CG 4.26Å; L504-L506 HydrophobicContact CG-CD1 4.12Å; L504-L506 HydrophobicContact CG-CG 4.01Å; L506-S508 PolarHBondContact O-N 3.07Å; L506-T509 WeakPolarHBondContact O-CB 3.25Å; L506-T509 VanDerWaalsContact O-CG2 3.28Å; L506-T509 WeakPolarHBondContact O-CG2 3.36Å; L506-T509 PolarHBondContact O-N 3.37Å; L506-T509 PolarHBondContact O-OG1 2.88Å; L506-F511 HydrophobicContact CD1-CB 4.38Å; L506-F511 HydrophobicContact CD1-CD1 3.67Å; L506-F511 HydrophobicContact CD1-CD2 4.22Å; L506-F511 HydrophobicContact CD1-CE1 3.92Å; L506-F511 HydrophobicContact CD1-CE2 4.45Å; L506-F511 HydrophobicContact CD1-CG 3.83Å; L506-F511 HydrophobicContact CD1-CZ 4.31Å; L506-F511 HydrophobicContact CD2-CB 4.22Å; L506-F511 HydrophobicContact CD2-CD2 3.89Å; L506-F511 HydrophobicContact CD2-CE2 4.45Å; L506-F511 HydrophobicContact CD2-CG 4.03Å; L506-F511 HydrophobicContact CG-CG 4.47Å; L506-L519 HydrophobicContact CD1-CD1 4.42Å; L506-L529 HydrophobicContact CD1-CD1 4.24Å; L506-N530 WeakPolarHBondContact CA-O 3.41Å; L506-N530 WeakPolarHBondContact CB-O 3.4Å; L506-N530 PolarHBondContact N-O 2.74Å; L506-L531 HydrophobicContact CB-CD2 4.48Å; L506-L531 HydrophobicContact CD1-CD2 3.91Å; L506-T534 HydrophobicContact CB-CG2 4.43Å; L506-T534 WeakPolarHBondContact O-CG2 3.48Å | ||
| 507 | W | 97.9 | Very high | 95.7 | Very high | 90 Ų | 90 | 44.1 Ų | 44.1 | 34% | 0.341 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 127.9 | -177.9 | 178.6 | 17.4 | 0 | 0 | 0 | 112.2 | A483 F484 N505 C532 E533 | A483-W507 CarbonylContact C-O 3.28Å; A483-W507 VanDerWaalsContact CA-O 3.26Å; A483-W507 WeakPolarHBondContact CA-O 3.24Å; A483-W507 HydrophobicContact CB-CB 4.08Å; F484-W507 HydrophobicContact CE1-CD2 4.32Å; F484-W507 HydrophobicContact CE1-CZ2 4.34Å; F484-W507 HydrophobicContact CE2-CD2 4.1Å; F484-W507 AromaticContact CE2-CE3 3.77Å; F484-W507 HydrophobicContact CE2-CE3 3.77Å; F484-W507 HydrophobicContact CE2-CH2 4.32Å; F484-W507 AromaticContact CE2-CZ3 3.89Å; F484-W507 HydrophobicContact CE2-CZ3 3.89Å; F484-W507 AromaticContact CZ-CD2 3.67Å; F484-W507 HydrophobicContact CZ-CD2 3.67Å; F484-W507 AromaticContact CZ-CE2 3.62Å; F484-W507 AromaticContact CZ-CE3 3.7Å; F484-W507 HydrophobicContact CZ-CE3 3.7Å; F484-W507 HydrophobicContact CZ-CG 4.44Å; F484-W507 AromaticContact CZ-CH2 3.72Å; F484-W507 HydrophobicContact CZ-CH2 3.72Å; F484-W507 AromaticContact CZ-CZ2 3.66Å; F484-W507 HydrophobicContact CZ-CZ2 3.66Å; F484-W507 AromaticContact CZ-CZ3 3.73Å; F484-W507 HydrophobicContact CZ-CZ3 3.73Å; F484-W507 PolarHBondContact N-O 2.9Å; N505-W507 WeakPolarHBondContact OD1-CB 3.03Å; N505-W507 PolarHBondContact OD1-N 3.35Å; W507-C532 CarbonylContact C-O 3.58Å; W507-C532 VanDerWaalsContact CA-O 3.28Å; W507-C532 WeakPolarHBondContact CA-O 3.41Å; W507-C532 HydrophobicContact CB-CB 4.32Å; W507-C532 VanDerWaalsContact CD1-O 3.31Å; W507-C532 HydrophobicContact CG-CB 3.97Å; W507-E533 PolarHBondContact NE1-OE1 3.43Å |
| 508 | S | 97 | Very high | 96 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 51.7 | 176.7 | -157.5 | 0 | 0 | 0 | 0 | 112 | L506 C532 | L506-S508 PolarHBondContact O-N 3.07Å; S508-C532 PolarHBondContact N-O 3.45Å |
| 509 | T | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -124.2 | 165.7 | 174.9 | 64.3 | 0 | 0 | 0 | 0 | 110.7 | L482 V487 L506 F511 P535 | L482-T509 WeakPolarHBondContact O-CG2 3.14Å; V487-T509 HydrophobicContact CG2-CG2 3.73Å; L506-T509 WeakPolarHBondContact O-CB 3.25Å; L506-T509 VanDerWaalsContact O-CG2 3.28Å; L506-T509 WeakPolarHBondContact O-CG2 3.36Å; L506-T509 PolarHBondContact O-N 3.37Å; L506-T509 PolarHBondContact O-OG1 2.88Å; T509-F511 PolarHBondContact O-N 3.3Å; T509-F511 WeakPolarHBondContact OG1-CB 3.41Å; T509-P535 WeakPolarHBondContact O-CD 2.99Å |
| 510 | Q | 96.1 | Very high | 96.6 | Very high | 130 Ų | 130 | 35.4 Ų | 35.4 | 61% | 0.607 | 18% | 0.183 | S | C | * | . | B | Isolated β-bridge | trans | -87 | 30.7 | 175.9 | -58 | -59.4 | -38.3 | 0 | 0 | 112.1 | V487 T488 | V487-Q510 PolarHBondContact O-N 3.38Å; T488-Q510 WeakPolarHBondContact CA-O 3.35Å; T488-Q510 HydrophobicContact CG2-CB 4.24Å |
| 511 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -81.3 | 139.3 | 179.4 | -158.1 | -88.4 | 0 | 0 | 0 | 111 | A492 L495 L506 T509 G515 L516 L519 P535 | A492-F511 HydrophobicContact CB-CE2 4.08Å; A492-F511 HydrophobicContact CB-CZ 4Å; L495-F511 HydrophobicContact CD1-CE2 4.2Å; L506-F511 HydrophobicContact CD1-CB 4.38Å; L506-F511 HydrophobicContact CD1-CD1 3.67Å; L506-F511 HydrophobicContact CD1-CD2 4.22Å; L506-F511 HydrophobicContact CD1-CE1 3.92Å; L506-F511 HydrophobicContact CD1-CE2 4.45Å; L506-F511 HydrophobicContact CD1-CG 3.83Å; L506-F511 HydrophobicContact CD1-CZ 4.31Å; L506-F511 HydrophobicContact CD2-CB 4.22Å; L506-F511 HydrophobicContact CD2-CD2 3.89Å; L506-F511 HydrophobicContact CD2-CE2 4.45Å; L506-F511 HydrophobicContact CD2-CG 4.03Å; L506-F511 HydrophobicContact CG-CG 4.47Å; T509-F511 PolarHBondContact O-N 3.3Å; T509-F511 WeakPolarHBondContact OG1-CB 3.41Å; F511-G515 VanDerWaalsContact CZ-C 3.5Å; F511-L516 HydrophobicContact CE1-CB 4.24Å; F511-L516 HydrophobicContact CE1-CD1 4.4Å; F511-L519 HydrophobicContact CE1-CD1 3.85Å; F511-L519 HydrophobicContact CE1-CG 4.38Å; F511-L519 HydrophobicContact CZ-CD1 3.56Å; F511-L519 HydrophobicContact CZ-CD2 4.44Å; F511-L519 HydrophobicContact CZ-CG 3.88Å; F511-P535 WeakPolarHBondContact O-CD 3.42Å; F511-P535 WeakPolarHBondContact O-CG 3.43Å | ||
| 512 | G | 97 | Very high | 96.6 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | trans | -148.5 | -175.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S489 A514 G515 L516 | S489-G512 PolarHBondContact OG-N 3.16Å; S489-G512 PolarHBondContact OG-O 2.91Å; G512-A514 PolarHBondContact O-N 3.1Å; G512-G515 PolarHBondContact O-N 3.03Å; G512-L516 PolarHBondContact O-N 3.35Å | ||
| 513 | D | 97.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.1 | -34.7 | -167 | -56.9 | -13 | 0 | 0 | 0 | 115 | L516 R517 V536 T537 G540 | D513-L516 PolarHBondContact O-N 3.46Å; D513-R517 WeakPolarHBondContact O-CG 3.33Å; D513-R517 PolarHBondContact O-N 3.45Å; D513-R517 PolarHBondContact O-NH1 3.19Å; D513-V536 WeakPolarHBondContact OD1-CA 3.18Å; D513-T537 PolarHBondContact OD1-N 3.29Å; D513-T537 PolarHBondContact OD2-OG1 3.25Å; D513-G540 VanDerWaalsContact CG-N 3.33Å; D513-G540 WeakPolarHBondContact OD1-CA 3.24Å; D513-G540 PolarHBondContact OD1-N 3.46Å |
| 514 | A | 95.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 41.9 Ų | 41.9 | 49% | 0.488 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | G512 L518 | G512-A514 PolarHBondContact O-N 3.1Å; A514-L518 PolarHBondContact O-N 3.39Å |
| 515 | G | 96 | Very high | 95.6 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F511 G512 R517 L518 L519 | F511-G515 VanDerWaalsContact CZ-C 3.5Å; G512-G515 PolarHBondContact O-N 3.03Å; G515-R517 PolarHBondContact O-N 3.35Å; G515-L518 WeakPolarHBondContact O-CB 3.32Å; G515-L518 PolarHBondContact O-N 3.23Å; G515-L518 VanDerWaalsContact O-N 3.15Å; G515-L519 WeakPolarHBondContact O-CG 3.23Å; G515-L519 PolarHBondContact O-N 2.87Å |
| 516 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | -176.4 | -163.5 | 59.9 | 0 | 0 | 0 | 113.1 | F511 G512 D513 L519 S520 L529 L531 V536 L541 L544 | F511-L516 HydrophobicContact CE1-CB 4.24Å; F511-L516 HydrophobicContact CE1-CD1 4.4Å; G512-L516 PolarHBondContact O-N 3.35Å; D513-L516 PolarHBondContact O-N 3.46Å; L516-L519 PolarHBondContact O-N 2.83Å; L516-S520 PolarHBondContact O-N 3.37Å; L516-L529 HydrophobicContact CD1-CD2 4.01Å; L516-L531 HydrophobicContact CD1-CD1 4.11Å; L516-L531 HydrophobicContact CD1-CD2 4.07Å; L516-L531 HydrophobicContact CD2-CD1 3.81Å; L516-V536 HydrophobicContact CD2-CG1 3.59Å; L516-V536 HydrophobicContact CD2-CG2 4.13Å; L516-L541 HydrophobicContact CD2-CD2 4.16Å; L516-L544 HydrophobicContact CD1-CD2 3.8Å; L516-L544 HydrophobicContact CD2-CD1 4.33Å; L516-L544 HydrophobicContact CD2-CD2 4.35Å; L516-L544 HydrophobicContact CD2-CG 4.31Å; L516-L544 HydrophobicContact CG-CD2 3.94Å; L516-L544 HydrophobicContact CG-CG 4.38Å |
| 517 | R | 95.9 | Very high | 95.5 | Very high | 104 Ų | 104 | 48.6 Ų | 48.6 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.7 | -50 | 170.1 | -78.5 | -172.1 | -63.3 | -87.7 | 3.3 | 111.6 | D513 G515 L519 S520 E521 A543 | D513-R517 WeakPolarHBondContact O-CG 3.33Å; D513-R517 PolarHBondContact O-N 3.45Å; D513-R517 PolarHBondContact O-NH1 3.19Å; G515-R517 PolarHBondContact O-N 3.35Å; R517-L519 VanDerWaalsContact C-N 3.31Å; R517-L519 PolarHBondContact O-N 2.67Å; R517-S520 PolarHBondContact O-N 3.14Å; R517-S520 PolarHBondContact O-OG 2.68Å; R517-E521 PolarHBondContact O-N 3.33Å; R517-E521 VanDerWaalsContact O-N 3.09Å; R517-A543 HydrophobicContact CB-CB 4.46Å; R517-A543 HydrophobicContact CG-CB 3.66Å |
| 518 | L | 96.1 | Very high | 95.5 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -39.2 | 179.8 | -164.9 | 72.1 | 0 | 0 | 0 | 112.1 | A492 E493 I496 A514 G515 S520 H522 | A492-L518 HydrophobicContact CB-CB 4.34Å; A492-L518 HydrophobicContact CB-CD2 3.83Å; E493-L518 HydrophobicContact CG-CD2 3.98Å; I496-L518 HydrophobicContact CD1-CD1 4.44Å; I496-L518 HydrophobicContact CD1-CD2 4.1Å; I496-L518 HydrophobicContact CD1-CG 4.21Å; I496-L518 HydrophobicContact CG2-CD2 4.4Å; I496-L518 HydrophobicContact CG2-CG 4.09Å; A514-L518 PolarHBondContact O-N 3.39Å; G515-L518 WeakPolarHBondContact O-CB 3.32Å; G515-L518 PolarHBondContact O-N 3.23Å; G515-L518 VanDerWaalsContact O-N 3.15Å; L518-S520 VanDerWaalsContact C-N 3.35Å; L518-H522 PolarHBondContact O-CD2 3Å; L518-H522 VanDerWaalsContact O-CD2 3.3Å; L518-H522 PolarHBondContact O-N 2.92Å |
| 519 | L | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 172.7 | -59 | -170.3 | 0 | 0 | 0 | 111.9 | A492 L495 I496 L504 L506 F511 G515 L516 R517 E521 H522 L523 | A492-L519 HydrophobicContact CB-CD2 4.11Å; L495-L519 HydrophobicContact CB-CD2 3.76Å; L495-L519 HydrophobicContact CD1-CD1 4.45Å; L495-L519 HydrophobicContact CD1-CD2 4.1Å; I496-L519 HydrophobicContact CG2-CD2 4.09Å; L504-L519 HydrophobicContact CD2-CD1 3.52Å; L506-L519 HydrophobicContact CD1-CD1 4.42Å; F511-L519 HydrophobicContact CE1-CD1 3.85Å; F511-L519 HydrophobicContact CE1-CG 4.38Å; F511-L519 HydrophobicContact CZ-CD1 3.56Å; F511-L519 HydrophobicContact CZ-CD2 4.44Å; F511-L519 HydrophobicContact CZ-CG 3.88Å; G515-L519 WeakPolarHBondContact O-CG 3.23Å; G515-L519 PolarHBondContact O-N 2.87Å; L516-L519 PolarHBondContact O-N 2.83Å; R517-L519 VanDerWaalsContact C-N 3.31Å; R517-L519 PolarHBondContact O-N 2.67Å; L519-E521 VanDerWaalsContact C-N 3.32Å; L519-E521 PolarHBondContact O-N 3.16Å; L519-H522 PolarHBondContact O-N 3.18Å; L519-L523 HydrophobicContact CB-CD1 4.31Å; L519-L523 HydrophobicContact CD2-CD1 3.82Å; L519-L523 HydrophobicContact CG-CD1 4.45Å; L519-L523 WeakPolarHBondContact O-CB 3.26Å; L519-L523 PolarHBondContact O-N 3.36Å |
| 520 | S | 94 | Very high | 95.6 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.7 | -26.1 | -178.7 | 76.1 | 0 | 0 | 0 | 0 | 114.6 | L516 R517 L518 A543 S546 M547 | L516-S520 PolarHBondContact O-N 3.37Å; R517-S520 PolarHBondContact O-N 3.14Å; R517-S520 PolarHBondContact O-OG 2.68Å; L518-S520 VanDerWaalsContact C-N 3.35Å; S520-A543 WeakPolarHBondContact CB-O 3.48Å; S520-A543 PolarHBondContact OG-O 3.19Å; S520-S546 PolarHBondContact O-OG 3.4Å; S520-M547 VanDerWaalsContact CA-SD 3.59Å |
| 521 | E | 93.7 | Very high | 95.7 | Very high | 128 Ų | 128 | 39.3 Ų | 39.3 | 60% | 0.598 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -79.8 | -30.3 | 177.5 | -71.2 | 172.5 | -163.2 | 0 | 0 | 112.4 | R517 L519 | R517-E521 PolarHBondContact O-N 3.33Å; R517-E521 VanDerWaalsContact O-N 3.09Å; L519-E521 VanDerWaalsContact C-N 3.32Å; L519-E521 PolarHBondContact O-N 3.16Å |
| 522 | H | 93.4 | Very high | 95.7 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -113.8 | -38.1 | -170.4 | -66.8 | -65.9 | 0 | 0 | 0 | 115.1 | I496 L518 L519 T524 | I496-H522 HydrophobicContact CB-CB 3.77Å; I496-H522 HydrophobicContact CG2-CB 3.64Å; L518-H522 PolarHBondContact O-CD2 3Å; L518-H522 VanDerWaalsContact O-CD2 3.3Å; L518-H522 PolarHBondContact O-N 2.92Å; L519-H522 PolarHBondContact O-N 3.18Å; H522-T524 VanDerWaalsContact C-N 3.26Å; H522-T524 PolarHBondContact O-N 3.21Å |
| 523 | L | 93.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -88.6 | 55.1 | -174.8 | -62 | -174.8 | 0 | 0 | 0 | 112.4 | L501 L519 M525 L526 M547 | L501-L523 HydrophobicContact CD2-CD1 4.03Å; L519-L523 HydrophobicContact CB-CD1 4.31Å; L519-L523 HydrophobicContact CD2-CD1 3.82Å; L519-L523 HydrophobicContact CG-CD1 4.45Å; L519-L523 WeakPolarHBondContact O-CB 3.26Å; L519-L523 PolarHBondContact O-N 3.36Å; L523-M525 PolarHBondContact O-N 3.28Å; L523-L526 HydrophobicContact CB-CB 4.34Å; L523-L526 WeakPolarHBondContact O-CB 3.49Å; L523-L526 PolarHBondContact O-N 3.47Å; L523-M547 HydrophobicContact CB-CE 4.37Å; L523-M547 VanDerWaalsContact O-CE 3.26Å; L523-M547 WeakPolarHBondContact O-CE 3.31Å | ||
| 524 | T | 87.9 | Confident | 95.7 | Very high | 77 Ų | 77 | 42.3 Ų | 42.3 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19 | -175.5 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | H522 S549 | H522-T524 VanDerWaalsContact C-N 3.26Å; H522-T524 PolarHBondContact O-N 3.21Å; T524-S549 WeakPolarHBondContact O-CB 3.49Å; T524-S549 PolarHBondContact O-OG 3.12Å |
| 525 | M | 92.3 | Very high | 95.7 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 51% | 0.507 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -0.8 | 178.4 | -63.6 | -65.9 | 100.7 | 0 | 0 | 114.5 | L523 Q527 | L523-M525 PolarHBondContact O-N 3.28Å; M525-Q527 WeakPolarHBondContact O-CG 3.43Å; M525-Q527 PolarHBondContact O-N 3.13Å |
| 526 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -67.2 | 132.1 | -178 | -159.8 | 75.8 | 0 | 0 | 0 | 111.2 | L501 L504 L523 L529 M547 S549 L550 | L501-L526 HydrophobicContact CD2-CD1 4.27Å; L501-L526 HydrophobicContact CG-CD1 4.07Å; L504-L526 HydrophobicContact CB-CD1 3.95Å; L504-L526 HydrophobicContact CB-CD2 4.31Å; L523-L526 HydrophobicContact CB-CB 4.34Å; L523-L526 WeakPolarHBondContact O-CB 3.49Å; L523-L526 PolarHBondContact O-N 3.47Å; L526-L529 HydrophobicContact CD2-CB 3.99Å; L526-L529 HydrophobicContact CD2-CD1 4.09Å; L526-L529 HydrophobicContact CD2-CD2 4.31Å; L526-L529 HydrophobicContact CD2-CG 4.35Å; L526-M547 HydrophobicContact CB-CE 3.68Å; L526-M547 HydrophobicContact CD2-CE 3.91Å; L526-M547 HydrophobicContact CG-CE 4.44Å; L526-S549 CarbonylContact O-C 3.46Å; L526-S549 VanDerWaalsContact O-C 3.28Å; L526-S549 WeakPolarHBondContact O-CB 3.45Å; L526-L550 HydrophobicContact CB-CD2 4.49Å; L526-L550 HydrophobicContact CD2-CD2 4.39Å; L526-L550 HydrophobicContact CG-CD2 4.43Å; L526-L550 PolarHBondContact O-N 3Å | ||
| 527 | Q | 97.5 | Very high | 95.8 | Very high | 82 Ų | 82 | 44 Ų | 44 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | trans | -115 | -33.5 | -174.3 | -59.4 | -179.8 | -6.6 | 0 | 0 | 112.9 | K502 M525 S549 C551 S552 | K502-Q527 HydrophobicContact CB-CG 4.45Å; K502-Q527 WeakPolarHBondContact O-CA 3.34Å; K502-Q527 PolarHBondContact O-N 3.37Å; M525-Q527 WeakPolarHBondContact O-CG 3.43Å; M525-Q527 PolarHBondContact O-N 3.13Å; Q527-S549 WeakPolarHBondContact CA-O 3.43Å; Q527-C551 PolarHBondContact O-N 3.43Å; Q527-S552 PolarHBondContact O-N 2.83Å | ||
| 528 | V | 97.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124 | 179.5 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | K502 Q503 L504 S552 | K502-V528 PolarHBondContact O-N 2.89Å; Q503-V528 WeakPolarHBondContact CA-O 3.34Å; Q503-V528 HydrophobicContact CB-CB 4.05Å; Q503-V528 HydrophobicContact CG-CB 3.8Å; Q503-V528 HydrophobicContact CG-CG2 3.83Å; L504-V528 PolarHBondContact N-O 3.35Å; V528-S552 WeakPolarHBondContact CA-O 3.36Å |
| 529 | L | 98 | Very high | 95.8 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.7 | 177 | 179.1 | 58.8 | 0 | 0 | 0 | 109.9 | L504 L506 L516 L526 L531 L544 L550 S552 L553 N554 | L504-L529 HydrophobicContact CB-CD1 4.16Å; L504-L529 HydrophobicContact CD2-CD1 4.17Å; L504-L529 HydrophobicContact CG-CD1 4.23Å; L504-L529 WeakPolarHBondContact O-CA 3.31Å; L506-L529 HydrophobicContact CD1-CD1 4.24Å; L516-L529 HydrophobicContact CD1-CD2 4.01Å; L526-L529 HydrophobicContact CD2-CB 3.99Å; L526-L529 HydrophobicContact CD2-CD1 4.09Å; L526-L529 HydrophobicContact CD2-CD2 4.31Å; L526-L529 HydrophobicContact CD2-CG 4.35Å; L529-L531 HydrophobicContact CD1-CD2 3.95Å; L529-L531 HydrophobicContact CD1-CG 4.35Å; L529-L531 HydrophobicContact CD2-CD1 4.12Å; L529-L531 HydrophobicContact CD2-CD2 4.29Å; L529-L531 HydrophobicContact CD2-CG 4.22Å; L529-L531 HydrophobicContact CG-CD1 4.38Å; L529-L531 HydrophobicContact CG-CD2 4.09Å; L529-L531 HydrophobicContact CG-CG 3.96Å; L529-L544 HydrophobicContact CD2-CD1 4.26Å; L529-L544 HydrophobicContact CD2-CD2 3.92Å; L529-L550 HydrophobicContact CB-CD2 3.98Å; L529-S552 PolarHBondContact N-O 3.17Å; L529-L553 HydrophobicContact CB-CD1 3.99Å; L529-L553 HydrophobicContact CD2-CD1 4.07Å; L529-L553 HydrophobicContact CG-CD1 4.08Å; L529-L553 WeakPolarHBondContact O-CA 3.28Å; L529-N554 PolarHBondContact O-N 2.84Å |
| 530 | N | 98.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.3 | 174.6 | -176.4 | 8.9 | 0 | 0 | 0 | 110.4 | L504 N505 L506 C532 N554 | L504-N530 PolarHBondContact O-N 2.97Å; N505-N530 HydrophobicContact CB-CB 4.42Å; N505-N530 WeakPolarHBondContact OD1-CB 3.36Å; N505-N530 PolarHBondContact OD1-ND2 3.45Å; L506-N530 WeakPolarHBondContact CA-O 3.41Å; L506-N530 WeakPolarHBondContact CB-O 3.4Å; L506-N530 PolarHBondContact N-O 2.74Å; N530-C532 WeakPolarHBondContact OD1-CB 3.18Å; N530-C532 PolarHBondContact OD1-N 2.82Å; N530-N554 HydrophobicContact CB-CB 4.33Å; N530-N554 WeakPolarHBondContact OD1-CB 3.17Å; N530-N554 VanDerWaalsContact OD1-CG 3.32Å; N530-N554 PolarHBondContact OD1-ND2 3.24Å |
| 531 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -111.4 | 15.4 | 178.4 | -58.3 | 174.4 | 0 | 0 | 0 | 111.9 | L506 L516 L529 E533 T534 V536 L541 L544 L553 N554 T558 | L506-L531 HydrophobicContact CB-CD2 4.48Å; L506-L531 HydrophobicContact CD1-CD2 3.91Å; L516-L531 HydrophobicContact CD1-CD1 4.11Å; L516-L531 HydrophobicContact CD1-CD2 4.07Å; L516-L531 HydrophobicContact CD2-CD1 3.81Å; L529-L531 HydrophobicContact CD1-CD2 3.95Å; L529-L531 HydrophobicContact CD1-CG 4.35Å; L529-L531 HydrophobicContact CD2-CD1 4.12Å; L529-L531 HydrophobicContact CD2-CD2 4.29Å; L529-L531 HydrophobicContact CD2-CG 4.22Å; L529-L531 HydrophobicContact CG-CD1 4.38Å; L529-L531 HydrophobicContact CG-CD2 4.09Å; L529-L531 HydrophobicContact CG-CG 3.96Å; L531-E533 PolarHBondContact O-N 3.3Å; L531-T534 WeakPolarHBondContact O-CB 3.22Å; L531-T534 WeakPolarHBondContact O-CG2 3.44Å; L531-T534 PolarHBondContact O-N 3.17Å; L531-T534 VanDerWaalsContact O-N 3.15Å; L531-T534 PolarHBondContact O-OG1 3.01Å; L531-V536 HydrophobicContact CD1-CG1 4.47Å; L531-L541 HydrophobicContact CD1-CD2 3.78Å; L531-L544 HydrophobicContact CD1-CD1 4.28Å; L531-L553 HydrophobicContact CD1-CD1 4.3Å; L531-N554 WeakPolarHBondContact CA-O 3.48Å; L531-N554 WeakPolarHBondContact CB-O 3.27Å; L531-N554 PolarHBondContact N-O 3.34Å; L531-T558 HydrophobicContact CB-CG2 4.35Å; L531-T558 WeakPolarHBondContact O-CG2 3.45Å | ||
| 532 | C | 97.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 134.2 | -178.6 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | W507 S508 N530 T534 N556 | W507-C532 CarbonylContact C-O 3.58Å; W507-C532 VanDerWaalsContact CA-O 3.28Å; W507-C532 WeakPolarHBondContact CA-O 3.41Å; W507-C532 HydrophobicContact CB-CB 4.32Å; W507-C532 VanDerWaalsContact CD1-O 3.31Å; W507-C532 HydrophobicContact CG-CB 3.97Å; S508-C532 PolarHBondContact N-O 3.45Å; N530-C532 WeakPolarHBondContact OD1-CB 3.18Å; N530-C532 PolarHBondContact OD1-N 2.82Å; C532-T534 PolarHBondContact O-N 3.17Å; C532-N556 CarbonylContact C-O 3.44Å; C532-N556 VanDerWaalsContact CA-O 3.25Å; C532-N556 WeakPolarHBondContact CA-O 3.4Å; C532-N556 HydrophobicContact CB-CB 4.4Å |
| 533 | E | 97 | Very high | 95.9 | Very high | 92 Ų | 92 | 34.6 Ų | 34.6 | 43% | 0.43 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.8 | -179.1 | -61.3 | 167.9 | -124.7 | 0 | 0 | 114.3 | W507 L531 N556 | W507-E533 PolarHBondContact NE1-OE1 3.43Å; L531-E533 PolarHBondContact O-N 3.3Å; E533-N556 PolarHBondContact N-O 2.67Å |
| 534 | T | 97.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | trans | -102.6 | 151.4 | 170.9 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | L506 L531 C532 V536 | L506-T534 HydrophobicContact CB-CG2 4.43Å; L506-T534 WeakPolarHBondContact O-CG2 3.48Å; L531-T534 WeakPolarHBondContact O-CB 3.22Å; L531-T534 WeakPolarHBondContact O-CG2 3.44Å; L531-T534 PolarHBondContact O-N 3.17Å; L531-T534 VanDerWaalsContact O-N 3.15Å; L531-T534 PolarHBondContact O-OG1 3.01Å; C532-T534 PolarHBondContact O-N 3.17Å; T534-V536 PolarHBondContact O-N 3.31Å; T534-V536 WeakPolarHBondContact OG1-CG2 3.49Å | ||
| 535 | P | 96.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | trans | -70.4 | 14 | 177 | 29.4 | -37.4 | 0 | 0 | 0 | 115 | T509 F511 | T509-P535 WeakPolarHBondContact O-CD 2.99Å; F511-P535 WeakPolarHBondContact O-CD 3.42Å; F511-P535 WeakPolarHBondContact O-CG 3.43Å | ||
| 536 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -61.1 | 142.8 | 177 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | D513 L516 L531 T534 L541 K559 | D513-V536 WeakPolarHBondContact OD1-CA 3.18Å; L516-V536 HydrophobicContact CD2-CG1 3.59Å; L516-V536 HydrophobicContact CD2-CG2 4.13Å; L531-V536 HydrophobicContact CD1-CG1 4.47Å; T534-V536 PolarHBondContact O-N 3.31Å; T534-V536 WeakPolarHBondContact OG1-CG2 3.49Å; V536-L541 HydrophobicContact CG1-CD1 4.39Å; V536-L541 HydrophobicContact CG1-CD2 3.52Å; V536-L541 HydrophobicContact CG1-CG 3.61Å; V536-K559 PolarHBondContact O-N 3.42Å; V536-K559 VanDerWaalsContact O-N 3.08Å | ||
| 537 | T | 96.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 30 Ų | 30 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | B | Isolated β-bridge | trans | -121.7 | 170.7 | 178.4 | 84 | 0 | 0 | 0 | 0 | 111.9 | D513 A539 G540 L541 K559 | D513-T537 PolarHBondContact OD1-N 3.29Å; D513-T537 PolarHBondContact OD2-OG1 3.25Å; T537-A539 PolarHBondContact O-N 2.84Å; T537-A539 PolarHBondContact OG1-N 2.94Å; T537-G540 WeakPolarHBondContact O-CA 3.44Å; T537-G540 PolarHBondContact O-N 3.45Å; T537-L541 WeakPolarHBondContact O-CG 3.4Å; T537-L541 PolarHBondContact O-N 3.5Å; T537-K559 WeakPolarHBondContact CA-O 3.47Å; T537-K559 HydrophobicContact CG2-CB 4.23Å; T537-K559 HydrophobicContact CG2-CD 4.05Å |
| 538 | D | 96.4 | Very high | 95.6 | Very high | 43 Ų | 43 | 30.7 Ų | 30.7 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -40.7 | -40.2 | 168.7 | -69.6 | -20.3 | 0 | 0 | 0 | 114.5 | G540 L541 L542 K559 L560 S561 T564 | D538-G540 VanDerWaalsContact C-N 3.29Å; D538-G540 PolarHBondContact O-N 3.34Å; D538-L541 PolarHBondContact O-N 3.35Å; D538-L542 WeakPolarHBondContact O-CB 3.33Å; D538-L542 VanDerWaalsContact O-CG 3.28Å; D538-L542 WeakPolarHBondContact O-CG 3.49Å; D538-L542 PolarHBondContact O-N 2.87Å; D538-K559 PolarHBondContact N-O 2.8Å; D538-L560 WeakPolarHBondContact OD1-CA 3.35Å; D538-S561 PolarHBondContact OD1-N 3.27Å; D538-S561 PolarHBondContact OD1-OG 3.34Å; D538-S561 VanDerWaalsContact OD2-CB 3.22Å; D538-S561 WeakPolarHBondContact OD2-CB 3.39Å; D538-S561 PolarHBondContact OD2-OG 3.37Å; D538-T564 HydrophobicContact CB-CG2 4.09Å; D538-T564 WeakPolarHBondContact CB-OG1 3.41Å; D538-T564 VanDerWaalsContact OD1-CB 3.28Å; D538-T564 WeakPolarHBondContact OD1-CB 3.4Å; D538-T564 PolarHBondContact OD1-OG1 3Å; D538-T564 PolarHBondContact OD2-OG1 2.94Å |
| 539 | A | 94.4 | Very high | 95.4 | Very high | 58 Ų | 58 | 30.4 Ų | 30.4 | 48% | 0.479 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.2 | -26.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T537 | T537-A539 PolarHBondContact O-N 2.84Å; T537-A539 PolarHBondContact OG1-N 2.94Å |
| 540 | G | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -82.6 | -43.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D513 T537 D538 L542 A543 | D513-G540 VanDerWaalsContact CG-N 3.33Å; D513-G540 WeakPolarHBondContact OD1-CA 3.24Å; D513-G540 PolarHBondContact OD1-N 3.46Å; T537-G540 WeakPolarHBondContact O-CA 3.44Å; T537-G540 PolarHBondContact O-N 3.45Å; D538-G540 VanDerWaalsContact C-N 3.29Å; D538-G540 PolarHBondContact O-N 3.34Å; G540-L542 PolarHBondContact O-N 3.09Å; G540-A543 VanDerWaalsContact O-CB 3.26Å; G540-A543 WeakPolarHBondContact O-CB 3.39Å; G540-A543 PolarHBondContact O-N 3.19Å |
| 541 | L | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | -177 | -66.1 | 177.1 | 0 | 0 | 0 | 111.8 | L516 L531 V536 T537 D538 A543 L544 M555 L560 T564 L568 | L516-L541 HydrophobicContact CD2-CD2 4.16Å; L531-L541 HydrophobicContact CD1-CD2 3.78Å; V536-L541 HydrophobicContact CG1-CD1 4.39Å; V536-L541 HydrophobicContact CG1-CD2 3.52Å; V536-L541 HydrophobicContact CG1-CG 3.61Å; T537-L541 WeakPolarHBondContact O-CG 3.4Å; T537-L541 PolarHBondContact O-N 3.5Å; D538-L541 PolarHBondContact O-N 3.35Å; L541-A543 PolarHBondContact O-N 3.03Å; L541-A543 VanDerWaalsContact O-N 3.1Å; L541-L544 HydrophobicContact CD2-CD1 4.08Å; L541-L544 WeakPolarHBondContact O-CB 3.38Å; L541-L544 WeakPolarHBondContact O-CG 3.48Å; L541-L544 PolarHBondContact O-N 3.02Å; L541-M555 HydrophobicContact CD1-SD 3.96Å; L541-M555 HydrophobicContact CD2-CG 3.98Å; L541-M555 HydrophobicContact CD2-SD 3.68Å; L541-M555 HydrophobicContact CG-SD 4.33Å; L541-L560 HydrophobicContact CD1-CB 3.74Å; L541-L560 HydrophobicContact CD1-CD1 3.7Å; L541-L560 HydrophobicContact CD1-CG 4.2Å; L541-T564 HydrophobicContact CB-CG2 4.26Å; L541-L568 HydrophobicContact CB-CD1 3.96Å; L541-L568 WeakPolarHBondContact O-CD2 3.5Å |
| 542 | L | 94.6 | Very high | 95.2 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -56.1 | -28.5 | 176 | -76.2 | 170 | 0 | 0 | 0 | 113.4 | D538 G540 L544 S545 T564 D567 | D538-L542 WeakPolarHBondContact O-CB 3.33Å; D538-L542 VanDerWaalsContact O-CG 3.28Å; D538-L542 WeakPolarHBondContact O-CG 3.49Å; D538-L542 PolarHBondContact O-N 2.87Å; G540-L542 PolarHBondContact O-N 3.09Å; L542-L544 VanDerWaalsContact C-N 3.25Å; L542-L544 PolarHBondContact O-N 3.38Å; L542-S545 WeakPolarHBondContact O-CB 3.41Å; L542-S545 PolarHBondContact O-N 2.7Å; L542-S545 VanDerWaalsContact O-N 3.17Å; L542-S545 PolarHBondContact O-OG 3.5Å; L542-T564 HydrophobicContact CD2-CG2 3.94Å; L542-T564 HydrophobicContact CG-CG2 3.82Å; L542-D567 HydrophobicContact CD2-CB 4.41Å; L542-D567 WeakPolarHBondContact CD2-OD2 3.34Å |
| 543 | A | 94.3 | Very high | 95.2 | Very high | 24 Ų | 24 | 32 Ų | 32 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -64.8 | -29.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R517 S520 G540 L541 S545 S546 | R517-A543 HydrophobicContact CB-CB 4.46Å; R517-A543 HydrophobicContact CG-CB 3.66Å; S520-A543 WeakPolarHBondContact CB-O 3.48Å; S520-A543 PolarHBondContact OG-O 3.19Å; G540-A543 VanDerWaalsContact O-CB 3.26Å; G540-A543 WeakPolarHBondContact O-CB 3.39Å; G540-A543 PolarHBondContact O-N 3.19Å; L541-A543 PolarHBondContact O-N 3.03Å; L541-A543 VanDerWaalsContact O-N 3.1Å; A543-S545 PolarHBondContact O-N 3.34Å; A543-S546 PolarHBondContact O-N 3.09Å; A543-S546 PolarHBondContact O-OG 3.1Å |
| 544 | L | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -61 | -16 | 175.5 | -57.4 | 178.5 | 0 | 0 | 0 | 112.9 | L516 L529 L531 L541 L542 S546 M547 L550 L553 L568 L572 | L516-L544 HydrophobicContact CD1-CD2 3.8Å; L516-L544 HydrophobicContact CD2-CD1 4.33Å; L516-L544 HydrophobicContact CD2-CD2 4.35Å; L516-L544 HydrophobicContact CD2-CG 4.31Å; L516-L544 HydrophobicContact CG-CD2 3.94Å; L516-L544 HydrophobicContact CG-CG 4.38Å; L529-L544 HydrophobicContact CD2-CD1 4.26Å; L529-L544 HydrophobicContact CD2-CD2 3.92Å; L531-L544 HydrophobicContact CD1-CD1 4.28Å; L541-L544 HydrophobicContact CD2-CD1 4.08Å; L541-L544 WeakPolarHBondContact O-CB 3.38Å; L541-L544 WeakPolarHBondContact O-CG 3.48Å; L541-L544 PolarHBondContact O-N 3.02Å; L542-L544 VanDerWaalsContact C-N 3.25Å; L542-L544 PolarHBondContact O-N 3.38Å; L544-S546 PolarHBondContact O-N 3.36Å; L544-M547 HydrophobicContact CD2-SD 3.42Å; L544-M547 WeakPolarHBondContact CD2-SD 3.13Å; L544-M547 WeakPolarHBondContact O-CB 3.14Å; L544-M547 PolarHBondContact O-N 2.76Å; L544-L550 HydrophobicContact CB-CD1 4.36Å; L544-L550 HydrophobicContact CD2-CD1 4.5Å; L544-L553 HydrophobicContact CD1-CD1 3.98Å; L544-L553 HydrophobicContact CD1-CD2 3.88Å; L544-L568 HydrophobicContact CB-CD2 4.22Å; L544-L572 WeakPolarHBondContact O-CD2 3.38Å |
| 545 | S | 91.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -52.1 | -24.2 | 176.8 | -62.1 | 0 | 0 | 0 | 0 | 114.5 | L542 A543 K548 K571 | L542-S545 WeakPolarHBondContact O-CB 3.41Å; L542-S545 PolarHBondContact O-N 2.7Å; L542-S545 VanDerWaalsContact O-N 3.17Å; L542-S545 PolarHBondContact O-OG 3.5Å; A543-S545 PolarHBondContact O-N 3.34Å; S545-K548 WeakPolarHBondContact O-CE 3.43Å; S545-K548 PolarHBondContact O-NZ 3.38Å; S545-K571 WeakPolarHBondContact OG-CD 2.82Å |
| 546 | S | 90.2 | Very high | 95.1 | Very high | 68 Ų | 68 | 27.1 Ų | 27.1 | 48% | 0.476 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -76.6 | -26.2 | 175.4 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | S520 A543 L544 K548 | S520-S546 PolarHBondContact O-OG 3.4Å; A543-S546 PolarHBondContact O-N 3.09Å; A543-S546 PolarHBondContact O-OG 3.1Å; L544-S546 PolarHBondContact O-N 3.36Å; S546-K548 VanDerWaalsContact C-N 3.32Å; S546-K548 PolarHBondContact O-N 2.86Å |
| 547 | M | 93.6 | Very high | 95 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | trans | -82.9 | 67.4 | -167 | -57.4 | -175.5 | 78.4 | 0 | 0 | 112.3 | S520 L523 L526 L544 S549 L550 L572 | S520-M547 VanDerWaalsContact CA-SD 3.59Å; L523-M547 HydrophobicContact CB-CE 4.37Å; L523-M547 VanDerWaalsContact O-CE 3.26Å; L523-M547 WeakPolarHBondContact O-CE 3.31Å; L526-M547 HydrophobicContact CB-CE 3.68Å; L526-M547 HydrophobicContact CD2-CE 3.91Å; L526-M547 HydrophobicContact CG-CE 4.44Å; L544-M547 HydrophobicContact CD2-SD 3.42Å; L544-M547 WeakPolarHBondContact CD2-SD 3.13Å; L544-M547 WeakPolarHBondContact O-CB 3.14Å; L544-M547 PolarHBondContact O-N 2.76Å; M547-S549 PolarHBondContact O-N 3.03Å; M547-L550 HydrophobicContact CB-CD1 3.74Å; M547-L550 HydrophobicContact CB-CG 3.93Å; M547-L550 PolarHBondContact O-N 3.24Å; M547-L550 HydrophobicContact SD-CD1 4.09Å; M547-L572 WeakPolarHBondContact O-CD2 3.16Å | ||
| 548 | K | 91.7 | Very high | 95 | Very high | 96 Ų | 96 | 27.9 Ų | 27.9 | 42% | 0.417 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -12.9 | -175.3 | -52.7 | -48.4 | -172.5 | -170.3 | 0 | 115 | S545 S546 K571 N574 | S545-K548 WeakPolarHBondContact O-CE 3.43Å; S545-K548 PolarHBondContact O-NZ 3.38Å; S546-K548 VanDerWaalsContact C-N 3.32Å; S546-K548 PolarHBondContact O-N 2.86Å; K548-K571 PolarHBondContact NZ-O 3.44Å; K548-N574 PolarHBondContact O-ND2 2.96Å |
| 549 | S | 93.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.2 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 114.1 | T524 L526 Q527 M547 C551 | T524-S549 WeakPolarHBondContact O-CB 3.49Å; T524-S549 PolarHBondContact O-OG 3.12Å; L526-S549 CarbonylContact O-C 3.46Å; L526-S549 VanDerWaalsContact O-C 3.28Å; L526-S549 WeakPolarHBondContact O-CB 3.45Å; Q527-S549 WeakPolarHBondContact CA-O 3.43Å; M547-S549 PolarHBondContact O-N 3.03Å; S549-C551 PolarHBondContact O-N 3.41Å |
| 550 | L | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -63.6 | 124.1 | -180 | -74.8 | 175.3 | 0 | 0 | 0 | 111.3 | L526 L529 L544 M547 L572 N574 L575 | L526-L550 HydrophobicContact CB-CD2 4.49Å; L526-L550 HydrophobicContact CD2-CD2 4.39Å; L526-L550 HydrophobicContact CG-CD2 4.43Å; L526-L550 PolarHBondContact O-N 3Å; L529-L550 HydrophobicContact CB-CD2 3.98Å; L544-L550 HydrophobicContact CB-CD1 4.36Å; L544-L550 HydrophobicContact CD2-CD1 4.5Å; M547-L550 HydrophobicContact CB-CD1 3.74Å; M547-L550 HydrophobicContact CB-CG 3.93Å; M547-L550 PolarHBondContact O-N 3.24Å; M547-L550 HydrophobicContact SD-CD1 4.09Å; L550-L572 HydrophobicContact CD1-CD1 4.46Å; L550-N574 CarbonylContact O-C 3.3Å; L550-L575 PolarHBondContact O-N 2.98Å | ||
| 551 | C | 96.8 | Very high | 94.9 | Very high | 44 Ų | 44 | 31.1 Ų | 31.1 | 30% | 0.297 | 18% | 0.178 | S | C | . | . | trans | -111.4 | -29 | 177 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | Q527 S549 K576 E577 | Q527-C551 PolarHBondContact O-N 3.43Å; S549-C551 PolarHBondContact O-N 3.41Å; C551-K576 PolarHBondContact O-N 3.07Å; C551-E577 PolarHBondContact O-N 3.26Å; C551-E577 VanDerWaalsContact O-N 3.15Å | ||
| 552 | S | 97.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 124.4 | -178.7 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | Q527 V528 L529 E577 | Q527-S552 PolarHBondContact O-N 2.83Å; V528-S552 WeakPolarHBondContact CA-O 3.36Å; L529-S552 PolarHBondContact N-O 3.17Å; S552-E577 WeakPolarHBondContact CA-O 3.41Å; S552-E577 WeakPolarHBondContact CB-OE2 3.49Å; S552-E577 WeakPolarHBondContact OG-CB 3.5Å; S552-E577 PolarHBondContact OG-OE2 3.31Å |
| 553 | L | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 113.5 | -176.3 | -180 | 58.4 | 0 | 0 | 0 | 110.5 | L529 L531 L544 M555 L575 E577 V578 D579 | L529-L553 HydrophobicContact CB-CD1 3.99Å; L529-L553 HydrophobicContact CD2-CD1 4.07Å; L529-L553 HydrophobicContact CG-CD1 4.08Å; L529-L553 WeakPolarHBondContact O-CA 3.28Å; L531-L553 HydrophobicContact CD1-CD1 4.3Å; L544-L553 HydrophobicContact CD1-CD1 3.98Å; L544-L553 HydrophobicContact CD1-CD2 3.88Å; L553-M555 HydrophobicContact CD1-CG 4.18Å; L553-M555 HydrophobicContact CD2-CE 3.8Å; L553-M555 HydrophobicContact CD2-CG 4.24Å; L553-M555 HydrophobicContact CD2-SD 3.68Å; L553-M555 HydrophobicContact CG-CE 4.05Å; L553-M555 HydrophobicContact CG-CG 3.87Å; L553-M555 HydrophobicContact CG-SD 3.99Å; L553-L575 HydrophobicContact CB-CD1 3.71Å; L553-E577 PolarHBondContact N-O 3.01Å; L553-V578 WeakPolarHBondContact O-CA 3.4Å; L553-V578 WeakPolarHBondContact O-CG1 3.44Å; L553-D579 PolarHBondContact O-N 2.68Å |
| 554 | N | 97.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.2 | 174.3 | -178 | -7.4 | 0 | 0 | 0 | 109.7 | L529 N530 L531 N556 D579 | L529-N554 PolarHBondContact O-N 2.84Å; N530-N554 HydrophobicContact CB-CB 4.33Å; N530-N554 WeakPolarHBondContact OD1-CB 3.17Å; N530-N554 VanDerWaalsContact OD1-CG 3.32Å; N530-N554 PolarHBondContact OD1-ND2 3.24Å; L531-N554 WeakPolarHBondContact CA-O 3.48Å; L531-N554 WeakPolarHBondContact CB-O 3.27Å; L531-N554 PolarHBondContact N-O 3.34Å; N554-N556 WeakPolarHBondContact OD1-CB 3.31Å; N554-N556 PolarHBondContact OD1-N 3.44Å; N554-D579 HydrophobicContact CB-CB 4.35Å |
| 555 | M | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -119.6 | 17.7 | 179.1 | -64.8 | 175.1 | -68.6 | 0 | 0 | 111.5 | L541 L553 S557 T558 L560 Y565 L568 V578 D579 V580 T583 | L541-M555 HydrophobicContact CD1-SD 3.96Å; L541-M555 HydrophobicContact CD2-CG 3.98Å; L541-M555 HydrophobicContact CD2-SD 3.68Å; L541-M555 HydrophobicContact CG-SD 4.33Å; L553-M555 HydrophobicContact CD1-CG 4.18Å; L553-M555 HydrophobicContact CD2-CE 3.8Å; L553-M555 HydrophobicContact CD2-CG 4.24Å; L553-M555 HydrophobicContact CD2-SD 3.68Å; L553-M555 HydrophobicContact CG-CE 4.05Å; L553-M555 HydrophobicContact CG-CG 3.87Å; L553-M555 HydrophobicContact CG-SD 3.99Å; M555-S557 PolarHBondContact O-N 3.04Å; M555-T558 WeakPolarHBondContact O-CB 3.46Å; M555-T558 WeakPolarHBondContact O-CG2 3.48Å; M555-T558 PolarHBondContact O-N 2.7Å; M555-T558 PolarHBondContact O-OG1 2.7Å; M555-L560 HydrophobicContact CB-CD2 4.16Å; M555-L560 HydrophobicContact CE-CD2 3.89Å; M555-L560 HydrophobicContact SD-CD2 4.05Å; M555-Y565 HydrophobicContact CE-CD2 4.46Å; M555-L568 HydrophobicContact SD-CD1 4.24Å; M555-V578 HydrophobicContact CE-CG1 3.56Å; M555-D579 CarbonylContact C-O 3.48Å; M555-D579 WeakPolarHBondContact CA-O 3.34Å; M555-D579 PolarHBondContact N-O 3.12Å; M555-V580 HydrophobicContact CE-CG1 3.99Å; M555-T583 VanDerWaalsContact O-CG2 3.23Å; M555-T583 WeakPolarHBondContact O-CG2 3.48Å | ||
| 556 | N | 96.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 134.6 | -179.3 | -179.9 | -40.4 | 0 | 0 | 0 | 111.5 | C532 E533 N554 T558 D579 R581 Y582 | C532-N556 CarbonylContact C-O 3.44Å; C532-N556 VanDerWaalsContact CA-O 3.25Å; C532-N556 WeakPolarHBondContact CA-O 3.4Å; C532-N556 HydrophobicContact CB-CB 4.4Å; E533-N556 PolarHBondContact N-O 2.67Å; N554-N556 WeakPolarHBondContact OD1-CB 3.31Å; N554-N556 PolarHBondContact OD1-N 3.44Å; N556-T558 PolarHBondContact O-N 2.88Å; N556-D579 PolarHBondContact N-O 2.84Å; N556-D579 PolarHBondContact ND2-OD2 3.08Å; N556-D579 VanDerWaalsContact ND2-OD2 3.09Å; N556-R581 VanDerWaalsContact CA-O 3.26Å; N556-R581 WeakPolarHBondContact CA-O 3.31Å; N556-R581 PolarHBondContact OD1-O 3.25Å; N556-Y582 WeakPolarHBondContact OD1-CD2 3.4Å |
| 557 | S | 95.1 | Very high | 95 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 31.5 | -178.7 | -51.2 | 0 | 0 | 0 | 0 | 114.6 | M555 R581 | M555-S557 PolarHBondContact O-N 3.04Å; S557-R581 PolarHBondContact N-O 3.12Å |
| 558 | T | 96.1 | Very high | 95 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -101.2 | 172.8 | 168.6 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | L531 M555 N556 L560 T583 | L531-T558 HydrophobicContact CB-CG2 4.35Å; L531-T558 WeakPolarHBondContact O-CG2 3.45Å; M555-T558 WeakPolarHBondContact O-CB 3.46Å; M555-T558 WeakPolarHBondContact O-CG2 3.48Å; M555-T558 PolarHBondContact O-N 2.7Å; M555-T558 PolarHBondContact O-OG1 2.7Å; N556-T558 PolarHBondContact O-N 2.88Å; T558-L560 VanDerWaalsContact C-N 3.26Å; T558-L560 PolarHBondContact O-N 2.62Å; T558-L560 VanDerWaalsContact O-N 3.12Å; T558-T583 WeakPolarHBondContact O-CG2 3.48Å |
| 559 | K | 93.4 | Very high | 94.9 | Very high | 145 Ų | 145 | 42.8 Ų | 42.8 | 63% | 0.63 | 23% | 0.231 | S | C | * | . | B | Isolated β-bridge | trans | -88.5 | 63 | 176.8 | -63.6 | 173.7 | -179.9 | 173 | 0 | 111.1 | V536 T537 D538 | V536-K559 PolarHBondContact O-N 3.42Å; V536-K559 VanDerWaalsContact O-N 3.08Å; T537-K559 WeakPolarHBondContact CA-O 3.47Å; T537-K559 HydrophobicContact CG2-CB 4.23Å; T537-K559 HydrophobicContact CG2-CD 4.05Å; D538-K559 PolarHBondContact N-O 2.8Å |
| 560 | L | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | trans | -97.9 | 128.6 | 178.4 | 170.8 | 64.5 | 0 | 0 | 0 | 111.2 | D538 L541 M555 T558 T564 V580 T583 E584 A585 | D538-L560 WeakPolarHBondContact OD1-CA 3.35Å; L541-L560 HydrophobicContact CD1-CB 3.74Å; L541-L560 HydrophobicContact CD1-CD1 3.7Å; L541-L560 HydrophobicContact CD1-CG 4.2Å; M555-L560 HydrophobicContact CB-CD2 4.16Å; M555-L560 HydrophobicContact CE-CD2 3.89Å; M555-L560 HydrophobicContact SD-CD2 4.05Å; T558-L560 VanDerWaalsContact C-N 3.26Å; T558-L560 PolarHBondContact O-N 2.62Å; T558-L560 VanDerWaalsContact O-N 3.12Å; L560-T564 HydrophobicContact CD1-CG2 3.87Å; L560-V580 HydrophobicContact CD2-CB 4.2Å; L560-V580 HydrophobicContact CD2-CG1 3.67Å; L560-T583 HydrophobicContact CB-CG2 4.07Å; L560-E584 PolarHBondContact O-N 3.07Å; L560-E584 VanDerWaalsContact O-N 3.15Å; L560-A585 HydrophobicContact CD2-CB 4.17Å; L560-A585 HydrophobicContact CG-CB 4.22Å | ||
| 561 | S | 95.2 | Very high | 94.7 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | trans | -90.8 | 157.4 | 169.2 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | D538 D563 T564 Y565 | D538-S561 PolarHBondContact OD1-N 3.27Å; D538-S561 PolarHBondContact OD1-OG 3.34Å; D538-S561 VanDerWaalsContact OD2-CB 3.22Å; D538-S561 WeakPolarHBondContact OD2-CB 3.39Å; D538-S561 PolarHBondContact OD2-OG 3.37Å; S561-D563 VanDerWaalsContact C-N 3.34Å; S561-D563 PolarHBondContact O-N 3.28Å; S561-T564 PolarHBondContact O-N 3.23Å; S561-T564 PolarHBondContact OG-N 3.35Å; S561-T564 PolarHBondContact OG-OG1 3.06Å; S561-T564 VanDerWaalsContact OG-OG1 3.14Å; S561-Y565 PolarHBondContact O-N 2.94Å; S561-Y565 VanDerWaalsContact O-N 3.08Å | ||
| 562 | A | 93.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y565 E566 | A562-Y565 PolarHBondContact O-N 3.25Å; A562-E566 PolarHBondContact O-N 3.07Å; A562-E566 VanDerWaalsContact O-N 3.16Å |
| 563 | D | 93.8 | Very high | 94.1 | Very high | 141 Ų | 141 | 50.6 Ų | 50.6 | 75% | 0.754 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.5 | -48.1 | 177.6 | -70.8 | -21.9 | 0 | 0 | 0 | 110.8 | S561 Y565 E566 D567 | S561-D563 VanDerWaalsContact C-N 3.34Å; S561-D563 PolarHBondContact O-N 3.28Å; D563-Y565 VanDerWaalsContact C-N 3.29Å; D563-Y565 PolarHBondContact O-N 3.33Å; D563-E566 PolarHBondContact O-N 3.07Å; D563-D567 WeakPolarHBondContact O-CB 3.01Å; D563-D567 PolarHBondContact O-N 3.41Å |
| 564 | T | 94.8 | Very high | 93.9 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -33.3 | 178.5 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | D538 L541 L542 L560 S561 D567 L568 | D538-T564 HydrophobicContact CB-CG2 4.09Å; D538-T564 WeakPolarHBondContact CB-OG1 3.41Å; D538-T564 VanDerWaalsContact OD1-CB 3.28Å; D538-T564 WeakPolarHBondContact OD1-CB 3.4Å; D538-T564 PolarHBondContact OD1-OG1 3Å; D538-T564 PolarHBondContact OD2-OG1 2.94Å; L541-T564 HydrophobicContact CB-CG2 4.26Å; L542-T564 HydrophobicContact CD2-CG2 3.94Å; L542-T564 HydrophobicContact CG-CG2 3.82Å; L560-T564 HydrophobicContact CD1-CG2 3.87Å; S561-T564 PolarHBondContact O-N 3.23Å; S561-T564 PolarHBondContact OG-N 3.35Å; S561-T564 PolarHBondContact OG-OG1 3.06Å; S561-T564 VanDerWaalsContact OG-OG1 3.14Å; T564-D567 PolarHBondContact O-N 3.19Å; T564-L568 HydrophobicContact CG2-CD1 4.32Å; T564-L568 WeakPolarHBondContact O-CB 3.22Å; T564-L568 WeakPolarHBondContact O-CG 3.49Å; T564-L568 PolarHBondContact O-N 3.2Å |
| 565 | Y | 94.9 | Very high | 93.7 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65 | -49.2 | 176.4 | 171.3 | -112 | 0 | 0 | 0 | 112.6 | M555 S561 A562 D563 D567 L568 K569 V578 V580 A585 | M555-Y565 HydrophobicContact CE-CD2 4.46Å; S561-Y565 PolarHBondContact O-N 2.94Å; S561-Y565 VanDerWaalsContact O-N 3.08Å; A562-Y565 PolarHBondContact O-N 3.25Å; D563-Y565 VanDerWaalsContact C-N 3.29Å; D563-Y565 PolarHBondContact O-N 3.33Å; Y565-D567 VanDerWaalsContact C-N 3.29Å; Y565-D567 PolarHBondContact O-N 3.25Å; Y565-L568 PolarHBondContact O-N 3.33Å; Y565-K569 HydrophobicContact CE1-CD 4.09Å; Y565-K569 VanDerWaalsContact O-CB 3.29Å; Y565-K569 WeakPolarHBondContact O-CB 3.48Å; Y565-K569 PolarHBondContact O-N 3.11Å; Y565-V578 HydrophobicContact CE2-CG1 4.09Å; Y565-V580 HydrophobicContact CD2-CG1 3.74Å; Y565-V580 HydrophobicContact CE2-CG1 3.78Å; Y565-A585 HydrophobicContact CD1-CB 4.3Å; Y565-A585 HydrophobicContact CG-CB 4.08Å |
| 566 | E | 93.1 | Very high | 93.5 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 176.7 | -72.4 | -60.9 | 150.1 | 0 | 0 | 111.4 | A562 D563 L568 K569 A570 | A562-E566 PolarHBondContact O-N 3.07Å; A562-E566 VanDerWaalsContact O-N 3.16Å; D563-E566 PolarHBondContact O-N 3.07Å; E566-L568 PolarHBondContact O-N 2.75Å; E566-K569 PolarHBondContact O-N 2.8Å; E566-K569 IonicContact OE1-NZ 2.72Å; E566-K569 PolarHBondContact OE1-NZ 3.27Å; E566-K569 IonicContact OE2-NZ 2.76Å; E566-K569 PolarHBondContact OE2-NZ 3.47Å; E566-A570 WeakPolarHBondContact O-CB 3.47Å; E566-A570 PolarHBondContact O-N 3.12Å |
| 567 | D | 93.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 68.2 Ų | 68.2 | 35% | 0.353 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 177 | -148.7 | 34.7 | 0 | 0 | 0 | 111.9 | L542 D563 T564 Y565 K571 | L542-D567 HydrophobicContact CD2-CB 4.41Å; L542-D567 WeakPolarHBondContact CD2-OD2 3.34Å; D563-D567 WeakPolarHBondContact O-CB 3.01Å; D563-D567 PolarHBondContact O-N 3.41Å; T564-D567 PolarHBondContact O-N 3.19Å; Y565-D567 VanDerWaalsContact C-N 3.29Å; Y565-D567 PolarHBondContact O-N 3.25Å; D567-K571 WeakPolarHBondContact O-CB 3.5Å; D567-K571 VanDerWaalsContact O-CD 3.27Å; D567-K571 WeakPolarHBondContact O-CD 3.15Å; D567-K571 WeakPolarHBondContact O-CG 3.5Å; D567-K571 PolarHBondContact O-N 3.43Å; D567-K571 WeakPolarHBondContact OD1-CE 3.46Å; D567-K571 IonicContact OD1-NZ 2.82Å; D567-K571 PolarHBondContact OD1-NZ 3.33Å; D567-K571 VanDerWaalsContact OD1-NZ 3.12Å; D567-K571 IonicContact OD2-NZ 2.8Å; D567-K571 PolarHBondContact OD2-NZ 3.39Å |
| 568 | L | 92.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 173 | -83.4 | 174.8 | 0 | 0 | 0 | 113.1 | L541 L544 M555 T564 Y565 E566 A570 K571 L572 | L541-L568 HydrophobicContact CB-CD1 3.96Å; L541-L568 WeakPolarHBondContact O-CD2 3.5Å; L544-L568 HydrophobicContact CB-CD2 4.22Å; M555-L568 HydrophobicContact SD-CD1 4.24Å; T564-L568 HydrophobicContact CG2-CD1 4.32Å; T564-L568 WeakPolarHBondContact O-CB 3.22Å; T564-L568 WeakPolarHBondContact O-CG 3.49Å; T564-L568 PolarHBondContact O-N 3.2Å; Y565-L568 PolarHBondContact O-N 3.33Å; E566-L568 PolarHBondContact O-N 2.75Å; L568-A570 VanDerWaalsContact C-N 3.29Å; L568-A570 PolarHBondContact O-N 3.24Å; L568-K571 CarbonylContact O-C 3.54Å; L568-K571 PolarHBondContact O-N 3.27Å; L568-L572 HydrophobicContact CD2-CD1 4.09Å; L568-L572 WeakPolarHBondContact O-CB 3.25Å; L568-L572 PolarHBondContact O-N 3.34Å |
| 569 | K | 90.3 | Very high | 93.2 | Very high | 101 Ų | 101 | 69.1 Ų | 69.1 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 178 | 179.3 | 174.2 | 157.8 | -138.7 | 0 | 111.9 | Y565 E566 | Y565-K569 HydrophobicContact CE1-CD 4.09Å; Y565-K569 VanDerWaalsContact O-CB 3.29Å; Y565-K569 WeakPolarHBondContact O-CB 3.48Å; Y565-K569 PolarHBondContact O-N 3.11Å; E566-K569 PolarHBondContact O-N 2.8Å; E566-K569 IonicContact OE1-NZ 2.72Å; E566-K569 PolarHBondContact OE1-NZ 3.27Å; E566-K569 IonicContact OE2-NZ 2.76Å; E566-K569 PolarHBondContact OE2-NZ 3.47Å |
| 570 | A | 92.1 | Very high | 93.2 | Very high | 84 Ų | 84 | 63.1 Ų | 63.1 | 69% | 0.694 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69 | -33.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | E566 L568 | E566-A570 WeakPolarHBondContact O-CB 3.47Å; E566-A570 PolarHBondContact O-N 3.12Å; L568-A570 VanDerWaalsContact C-N 3.29Å; L568-A570 PolarHBondContact O-N 3.24Å |
| 571 | K | 93.4 | Very high | 93.1 | Very high | 77 Ų | 77 | 68.9 Ų | 68.9 | 34% | 0.335 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -89.1 | -19.2 | -175.7 | -69.7 | 166.8 | -165.9 | 172.4 | 0 | 114.1 | S545 K548 D567 L568 P573 | S545-K571 WeakPolarHBondContact OG-CD 2.82Å; K548-K571 PolarHBondContact NZ-O 3.44Å; D567-K571 WeakPolarHBondContact O-CB 3.5Å; D567-K571 VanDerWaalsContact O-CD 3.27Å; D567-K571 WeakPolarHBondContact O-CD 3.15Å; D567-K571 WeakPolarHBondContact O-CG 3.5Å; D567-K571 PolarHBondContact O-N 3.43Å; D567-K571 WeakPolarHBondContact OD1-CE 3.46Å; D567-K571 IonicContact OD1-NZ 2.82Å; D567-K571 PolarHBondContact OD1-NZ 3.33Å; D567-K571 VanDerWaalsContact OD1-NZ 3.12Å; D567-K571 IonicContact OD2-NZ 2.8Å; D567-K571 PolarHBondContact OD2-NZ 3.39Å; L568-K571 CarbonylContact O-C 3.54Å; L568-K571 PolarHBondContact O-N 3.27Å; K571-P573 VanDerWaalsContact O-CD 3.23Å; K571-P573 WeakPolarHBondContact O-CD 3.44Å |
| 572 | L | 93.9 | Very high | 93 | Very high | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | trans | -111.2 | 82.8 | -176.3 | -68 | 177.6 | 0 | 0 | 0 | 112.3 | L544 M547 L550 L568 N574 L575 | L544-L572 WeakPolarHBondContact O-CD2 3.38Å; M547-L572 WeakPolarHBondContact O-CD2 3.16Å; L550-L572 HydrophobicContact CD1-CD1 4.46Å; L568-L572 HydrophobicContact CD2-CD1 4.09Å; L568-L572 WeakPolarHBondContact O-CB 3.25Å; L568-L572 PolarHBondContact O-N 3.34Å; L572-N574 PolarHBondContact O-N 3.2Å; L572-N574 VanDerWaalsContact O-N 3.15Å; L572-L575 HydrophobicContact CB-CB 3.98Å; L572-L575 HydrophobicContact CB-CD2 4.25Å; L572-L575 HydrophobicContact CD1-CD2 4.09Å; L572-L575 WeakPolarHBondContact O-CB 3.48Å; L572-L575 PolarHBondContact O-N 2.98Å | ||
| 573 | P | 87.9 | Confident | 93 | Very high | 100 Ų | 100 | 74.5 Ų | 74.5 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.2 | -169.9 | 29.7 | -38 | 0 | 0 | 0 | 115.1 | K571 | K571-P573 VanDerWaalsContact O-CD 3.23Å; K571-P573 WeakPolarHBondContact O-CD 3.44Å |
| 574 | N | 92.2 | Very high | 92.7 | Very high | 84 Ų | 84 | 75.2 Ų | 75.2 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -1.2 | -179 | -69.2 | -45.8 | 0 | 0 | 0 | 113.4 | K548 L550 L572 K576 | K548-N574 PolarHBondContact O-ND2 2.96Å; L550-N574 CarbonylContact O-C 3.3Å; L572-N574 PolarHBondContact O-N 3.2Å; L572-N574 VanDerWaalsContact O-N 3.15Å; N574-K576 PolarHBondContact O-N 3.26Å |
| 575 | L | 92.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 75.7 Ų | 75.7 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | trans | -75.2 | 117.1 | -174.1 | -169 | 65.6 | 0 | 0 | 0 | 110.6 | L550 L553 L572 V578 | L550-L575 PolarHBondContact O-N 2.98Å; L553-L575 HydrophobicContact CB-CD1 3.71Å; L572-L575 HydrophobicContact CB-CB 3.98Å; L572-L575 HydrophobicContact CB-CD2 4.25Å; L572-L575 HydrophobicContact CD1-CD2 4.09Å; L572-L575 WeakPolarHBondContact O-CB 3.48Å; L572-L575 PolarHBondContact O-N 2.98Å; L575-V578 HydrophobicContact CD1-CG2 4.2Å; L575-V578 HydrophobicContact CD2-CG2 3.47Å; L575-V578 VanDerWaalsContact CD2-CG2 3.47Å; L575-V578 HydrophobicContact CG-CG2 3.53Å | ||
| 576 | K | 92.4 | Very high | 91.4 | Very high | 176 Ų | 176 | 83.7 Ų | 83.7 | 77% | 0.765 | 40% | 0.404 | S | S | * | . | trans | -112.2 | -38.6 | -173.8 | -67.6 | 172 | -173.5 | 175.5 | 0 | 112.8 | C551 N574 | C551-K576 PolarHBondContact O-N 3.07Å; N574-K576 PolarHBondContact O-N 3.26Å | ||
| 577 | E | 92.7 | Very high | 91.3 | Very high | 128 Ų | 128 | 82.9 Ų | 82.9 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.9 | -178.9 | -68.5 | 171.5 | -177.6 | 0 | 0 | 108.3 | C551 S552 L553 | C551-E577 PolarHBondContact O-N 3.26Å; C551-E577 VanDerWaalsContact O-N 3.15Å; S552-E577 WeakPolarHBondContact CA-O 3.41Å; S552-E577 WeakPolarHBondContact CB-OE2 3.49Å; S552-E577 WeakPolarHBondContact OG-CB 3.5Å; S552-E577 PolarHBondContact OG-OE2 3.31Å; L553-E577 PolarHBondContact N-O 3.01Å |
| 578 | V | 93.9 | Very high | 91.2 | Very high | 51 Ų | 51 | 83.8 Ų | 83.8 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.4 | 174 | -158.5 | 0 | 0 | 0 | 0 | 109.5 | L553 M555 Y565 L575 V580 | L553-V578 WeakPolarHBondContact O-CA 3.4Å; L553-V578 WeakPolarHBondContact O-CG1 3.44Å; M555-V578 HydrophobicContact CE-CG1 3.56Å; Y565-V578 HydrophobicContact CE2-CG1 4.09Å; L575-V578 HydrophobicContact CD1-CG2 4.2Å; L575-V578 HydrophobicContact CD2-CG2 3.47Å; L575-V578 VanDerWaalsContact CD2-CG2 3.47Å; L575-V578 HydrophobicContact CG-CG2 3.53Å; V578-V580 HydrophobicContact CG1-CG1 3.94Å |
| 579 | D | 94.5 | Very high | 91.1 | Very high | 26 Ų | 26 | 88.3 Ų | 88.3 | 14% | 0.139 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.9 | 170 | -173.4 | 8.4 | 0 | 0 | 0 | 109.2 | L553 N554 M555 N556 R581 | L553-D579 PolarHBondContact O-N 2.68Å; N554-D579 HydrophobicContact CB-CB 4.35Å; M555-D579 CarbonylContact C-O 3.48Å; M555-D579 WeakPolarHBondContact CA-O 3.34Å; M555-D579 PolarHBondContact N-O 3.12Å; N556-D579 PolarHBondContact N-O 2.84Å; N556-D579 PolarHBondContact ND2-OD2 3.08Å; N556-D579 VanDerWaalsContact ND2-OD2 3.09Å; D579-R581 WeakPolarHBondContact OD1-CB 3.3Å; D579-R581 VanDerWaalsContact OD1-CG 3.26Å; D579-R581 WeakPolarHBondContact OD1-CG 3.28Å; D579-R581 IonicContact OD1-CZ 3.36Å; D579-R581 PolarHBondContact OD1-N 3.16Å; D579-R581 VanDerWaalsContact OD1-N 3.09Å; D579-R581 IonicContact OD1-NE 3.08Å; D579-R581 PolarHBondContact OD1-NE 3.29Å; D579-R581 IonicContact OD1-NH2 2.72Å; D579-R581 IonicContact OD2-CZ 2.57Å; D579-R581 IonicContact OD2-NE 3.73Å; D579-R581 PolarHBondContact OD2-NE 2.95Å; D579-R581 IonicContact OD2-NH2 3.12Å; D579-R581 PolarHBondContact OD2-NH2 3.34Å |
| 580 | V | 94.8 | Very high | 91.1 | Very high | 18 Ų | 18 | 87.6 Ų | 87.6 | 11% | 0.109 | 43% | 0.425 | C | S | . | . | trans | -117.5 | 11.7 | 178.6 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | M555 L560 Y565 V578 T583 A585 | M555-V580 HydrophobicContact CE-CG1 3.99Å; L560-V580 HydrophobicContact CD2-CB 4.2Å; L560-V580 HydrophobicContact CD2-CG1 3.67Å; Y565-V580 HydrophobicContact CD2-CG1 3.74Å; Y565-V580 HydrophobicContact CE2-CG1 3.78Å; V578-V580 HydrophobicContact CG1-CG1 3.94Å; V580-T583 WeakPolarHBondContact O-CB 3.25Å; V580-T583 WeakPolarHBondContact O-CG2 3.34Å; V580-T583 PolarHBondContact O-N 2.75Å; V580-T583 PolarHBondContact O-OG1 3.23Å; V580-A585 HydrophobicContact CB-CB 4.43Å | ||
| 581 | R | 93.7 | Very high | 91.1 | Very high | 125 Ų | 125 | 87.8 Ų | 87.8 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 143.6 | -177.8 | -70.1 | 174.9 | -67.6 | 170.4 | 0.4 | 111.2 | N556 S557 D579 T583 W586 | N556-R581 VanDerWaalsContact CA-O 3.26Å; N556-R581 WeakPolarHBondContact CA-O 3.31Å; N556-R581 PolarHBondContact OD1-O 3.25Å; S557-R581 PolarHBondContact N-O 3.12Å; D579-R581 WeakPolarHBondContact OD1-CB 3.3Å; D579-R581 VanDerWaalsContact OD1-CG 3.26Å; D579-R581 WeakPolarHBondContact OD1-CG 3.28Å; D579-R581 IonicContact OD1-CZ 3.36Å; D579-R581 PolarHBondContact OD1-N 3.16Å; D579-R581 VanDerWaalsContact OD1-N 3.09Å; D579-R581 IonicContact OD1-NE 3.08Å; D579-R581 PolarHBondContact OD1-NE 3.29Å; D579-R581 IonicContact OD1-NH2 2.72Å; D579-R581 IonicContact OD2-CZ 2.57Å; D579-R581 IonicContact OD2-NE 3.73Å; D579-R581 PolarHBondContact OD2-NE 2.95Å; D579-R581 IonicContact OD2-NH2 3.12Å; D579-R581 PolarHBondContact OD2-NH2 3.34Å; R581-T583 VanDerWaalsContact C-N 3.27Å; R581-T583 PolarHBondContact O-N 3.22Å; R581-W586 HydrophobicContact CG-CG 4.49Å |
| 582 | Y | 92.4 | Very high | 90.9 | Very high | 168 Ų | 168 | 88.5 Ų | 88.5 | 66% | 0.659 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 34.3 | -176.7 | -43.9 | -73.5 | 0 | 0 | 0 | 113.9 | N556 | N556-Y582 WeakPolarHBondContact OD1-CD2 3.4Š|
| 583 | T | 92.7 | Very high | 90.7 | Very high | 17 Ų | 17 | 94.6 Ų | 94.6 | 10% | 0.104 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -119.9 | 178.1 | 165.9 | 72.9 | 0 | 0 | 0 | 0 | 109.5 | M555 T558 L560 V580 R581 A585 | M555-T583 VanDerWaalsContact O-CG2 3.23Å; M555-T583 WeakPolarHBondContact O-CG2 3.48Å; T558-T583 WeakPolarHBondContact O-CG2 3.48Å; L560-T583 HydrophobicContact CB-CG2 4.07Å; V580-T583 WeakPolarHBondContact O-CB 3.25Å; V580-T583 WeakPolarHBondContact O-CG2 3.34Å; V580-T583 PolarHBondContact O-N 2.75Å; V580-T583 PolarHBondContact O-OG1 3.23Å; R581-T583 VanDerWaalsContact C-N 3.27Å; R581-T583 PolarHBondContact O-N 3.22Å; T583-A585 PolarHBondContact O-N 3.36Å; T583-A585 PolarHBondContact OG1-N 2.76Å |
| 584 | E | 88.8 | Confident | 90.9 | Very high | 156 Ų | 156 | 94.2 Ų | 94.2 | 73% | 0.729 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.7 | 174.6 | -58.6 | -175.9 | 170.8 | 0 | 0 | 113 | L560 | L560-E584 PolarHBondContact O-N 3.07Å; L560-E584 VanDerWaalsContact O-N 3.15Å |
| 585 | A | 85 | Confident | 90.8 | Very high | 22 Ų | 22 | 95 Ų | 95 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 10.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L560 Y565 V580 T583 | L560-A585 HydrophobicContact CD2-CB 4.17Å; L560-A585 HydrophobicContact CG-CB 4.22Å; Y565-A585 HydrophobicContact CD1-CB 4.3Å; Y565-A585 HydrophobicContact CG-CB 4.08Å; V580-A585 HydrophobicContact CB-CB 4.43Å; T583-A585 PolarHBondContact O-N 3.36Å; T583-A585 PolarHBondContact OG1-N 2.76Å |
| 586 | W | 76.6 | Confident | 90.7 | Very high | 219 Ų | 219 | 100.5 Ų | 100.5 | 83% | 0.83 | 45% | 0.445 | S | S | * | . | trans | -107.7 | 0 | 178.8 | -179.5 | 68.2 | 0 | 0 | 0 | 112.7 | R581 | R581-W586 HydrophobicContact CG-CG 4.49Š|
Retrieved 586 of 586 residues in 453.7 ms
(Link to these results)