| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.4 | Very low | 48.4 | Very low | 246 Ų | 246 | 145.3 Ų | 145.3 | 100% | 1.212 | 87% | 0.87 | S | S | * | * | 0 | 91.4 | 0 | -69.8 | -80.3 | -146 | 0 | 0 | 107.6 | |||||
| 2 | A | 37.7 | Very low | 49.5 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 89% | 0.893 | 86% | 0.861 | S | S | * | * | trans | -92.6 | 116.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | A | 47 | Very low | 50.2 | Low | 97 Ų | 97 | 141.6 Ų | 141.6 | 80% | 0.802 | 86% | 0.858 | S | S | * | * | trans | -85.4 | 109.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4 | A | 50 | Low | 51.2 | Low | 105 Ų | 105 | 136.9 Ų | 136.9 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | -84.3 | 109.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | T | 57.8 | Low | 52.3 | Low | 141 Ų | 141 | 131.5 Ų | 131.5 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 122.5 | 172 | 45.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | G | 46.8 | Very low | 53.4 | Low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -68 | 145 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 7 | Q | 47.2 | Very low | 54.4 | Low | 190 Ų | 190 | 126.9 Ų | 126.9 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -45.1 | 126.4 | -175.1 | -58.3 | -176.2 | -52.8 | 0 | 0 | 114.9 | K9 | Q7-K9 PolarHBondContact O-N 2.91Š| ||
| 8 | N | 43.9 | Very low | 55.3 | Low | 154 Ų | 154 | 123.9 Ų | 123.9 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | -68 | 110.1 | 161.8 | -165.6 | -10.3 | 0 | 0 | 0 | 107.9 | Q10 | N8-Q10 PolarHBondContact O-N 2.96Å; N8-Q10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | K | 55 | Low | 56.3 | Low | 190 Ų | 190 | 120.4 Ų | 120.4 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | trans | -64.5 | 112.7 | 174.5 | -69.5 | -179.1 | 177.4 | 179.7 | 0 | 107.5 | Q7 S11 | Q7-K9 PolarHBondContact O-N 2.91Å; K9-S11 PolarHBondContact O-N 3.41Å | ||
| 10 | Q | 49.4 | Very low | 57.5 | Low | 181 Ų | 181 | 117.2 Ų | 117.2 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -53.8 | 108.6 | 171.1 | -77.6 | 139.7 | -18.5 | 0 | 0 | 108.9 | N8 V12 | N8-Q10 PolarHBondContact O-N 2.96Å; N8-Q10 VanDerWaalsContact O-N 3.13Å; Q10-V12 PolarHBondContact O-N 2.96Å | ||
| 11 | S | 54.6 | Low | 58.8 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | -63.2 | 104.5 | 167 | 53 | 0 | 0 | 0 | 0 | 107 | K9 S13 | K9-S11 PolarHBondContact O-N 3.41Å; S11-S13 PolarHBondContact O-N 3.08Å | ||
| 12 | V | 61.6 | Low | 60.9 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | trans | -56.6 | 110.1 | 168.6 | 175.8 | 0 | 0 | 0 | 0 | 106.2 | Q10 T14 | Q10-V12 PolarHBondContact O-N 2.96Å; V12-T14 HydrophobicContact CG1-CG2 4.41Å; V12-T14 PolarHBondContact O-N 2.72Å | ||
| 13 | S | 58.5 | Low | 63.4 | Low | 118 Ų | 118 | 105 Ų | 105 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | trans | -67.8 | 83.5 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | S11 S15 | S11-S13 PolarHBondContact O-N 3.08Å; S13-S15 PolarHBondContact O-N 2.93Å | ||
| 14 | T | 63.4 | Low | 65.5 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 47% | 0.466 | 61% | 0.608 | S | S | . | * | trans | -67 | 128.5 | 170.7 | 53.4 | 0 | 0 | 0 | 0 | 107.7 | V12 | V12-T14 HydrophobicContact CG1-CG2 4.41Å; V12-T14 PolarHBondContact O-N 2.72Å | ||
| 15 | S | 68.8 | Low | 67.5 | Low | 56 Ų | 56 | 105.9 Ų | 105.9 | 39% | 0.392 | 60% | 0.598 | S | S | . | * | trans | -64.3 | 149.1 | 176.9 | 70.2 | 0 | 0 | 0 | 0 | 109.6 | S13 A17 D18 L19 | S13-S15 PolarHBondContact O-N 2.93Å; S15-A17 PolarHBondContact O-N 3.46Å; S15-A17 VanDerWaalsContact O-N 3.1Å; S15-D18 PolarHBondContact N-OD2 2.75Å; S15-D18 WeakPolarHBondContact O-CA 3.36Å; S15-D18 WeakPolarHBondContact O-CB 3.5Å; S15-D18 PolarHBondContact O-N 2.95Å; S15-D18 PolarHBondContact OG-N 2.92Å; S15-D18 PolarHBondContact OG-OD2 2.96Å; S15-L19 PolarHBondContact O-N 2.89Å | ||
| 16 | D | 68.9 | Low | 69 | Low | 120 Ų | 120 | 100.3 Ų | 100.3 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -55.5 | -30.9 | 179.9 | -163.8 | 27 | 0 | 0 | 0 | 111.7 | D18 L19 L20 | D16-D18 PolarHBondContact O-N 3.01Å; D16-L19 PolarHBondContact O-N 3.36Å; D16-L20 WeakPolarHBondContact O-CG 3.27Å; D16-L20 PolarHBondContact O-N 3.12Å |
| 17 | A | 70.1 | Confident | 71.2 | Confident | 64 Ų | 64 | 100.1 Ų | 100.1 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.2 | -36.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | S15 L20 L21 | S15-A17 PolarHBondContact O-N 3.46Å; S15-A17 VanDerWaalsContact O-N 3.1Å; A17-L20 PolarHBondContact O-N 2.86Å; A17-L21 PolarHBondContact O-N 3.24Å |
| 18 | D | 71.1 | Confident | 73.3 | Confident | 73 Ų | 73 | 94.5 Ų | 94.5 | 39% | 0.39 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.9 | -33.2 | 178.5 | -64.1 | -41.1 | 0 | 0 | 0 | 111.8 | S15 D16 L20 L21 H22 | S15-D18 PolarHBondContact N-OD2 2.75Å; S15-D18 WeakPolarHBondContact O-CA 3.36Å; S15-D18 WeakPolarHBondContact O-CB 3.5Å; S15-D18 PolarHBondContact O-N 2.95Å; S15-D18 PolarHBondContact OG-N 2.92Å; S15-D18 PolarHBondContact OG-OD2 2.96Å; D16-D18 PolarHBondContact O-N 3.01Å; D18-L20 VanDerWaalsContact C-N 3.31Å; D18-L20 PolarHBondContact O-N 3.08Å; D18-L21 WeakPolarHBondContact O-CB 3.32Å; D18-L21 PolarHBondContact O-N 3.16Å; D18-H22 PolarHBondContact O-CD2 2.79Å |
| 19 | L | 73.6 | Confident | 75.7 | Confident | 57 Ų | 57 | 92.9 Ų | 92.9 | 30% | 0.298 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 174.4 | -82.6 | 151.5 | 0 | 0 | 0 | 111.6 | S15 D16 L21 H22 | S15-L19 PolarHBondContact O-N 2.89Å; D16-L19 PolarHBondContact O-N 3.36Å; L19-L21 PolarHBondContact O-N 3.39Å; L19-H22 CarbonylContact O-C 3.53Å; L19-H22 PolarHBondContact O-N 2.84Å; L19-H22 VanDerWaalsContact O-N 3.15Å |
| 20 | L | 80.9 | Confident | 77.5 | Confident | 57 Ų | 57 | 87.5 Ų | 87.5 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.8 | -17.3 | 176.6 | -63.2 | 170 | 0 | 0 | 0 | 113.3 | D16 A17 D18 H22 F30 I34 Y55 I60 | D16-L20 WeakPolarHBondContact O-CG 3.27Å; D16-L20 PolarHBondContact O-N 3.12Å; A17-L20 PolarHBondContact O-N 2.86Å; D18-L20 VanDerWaalsContact C-N 3.31Å; D18-L20 PolarHBondContact O-N 3.08Å; L20-H22 VanDerWaalsContact C-N 3.3Å; L20-F30 HydrophobicContact CD2-CE1 4.09Å; L20-F30 HydrophobicContact CD2-CZ 4.38Å; L20-I34 HydrophobicContact CD2-CD1 4.15Å; L20-Y55 WeakPolarHBondContact CD2-OH 3.35Å; L20-Y55 WeakPolarHBondContact O-CE1 3.46Å; L20-Y55 PolarHBondContact O-OH 3.31Å; L20-I60 VanDerWaalsContact O-CD1 3.23Å; L20-I60 WeakPolarHBondContact O-CD1 3.23Å |
| 21 | L | 85.1 | Confident | 79.6 | Confident | 96 Ų | 96 | 79 Ų | 79 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.1 | 172.3 | -66.1 | 173.8 | 0 | 0 | 0 | 112.9 | A17 D18 L19 P23 I60 | A17-L21 PolarHBondContact O-N 3.24Å; D18-L21 WeakPolarHBondContact O-CB 3.32Å; D18-L21 PolarHBondContact O-N 3.16Å; L19-L21 PolarHBondContact O-N 3.39Å; L21-P23 VanDerWaalsContact C-CD 3.49Å; L21-P23 VanDerWaalsContact O-CD 3.31Å; L21-P23 WeakPolarHBondContact O-CD 3.21Å; L21-I60 HydrophobicContact CD2-CG2 4.48Å |
| 22 | H | 88.4 | Confident | 81.4 | Confident | 112 Ų | 112 | 75.8 Ų | 75.8 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | trans | -121.7 | 74.6 | -176.6 | -63.1 | -52.8 | 0 | 0 | 0 | 111.3 | D18 L19 L20 E24 L25 | D18-H22 PolarHBondContact O-CD2 2.79Å; L19-H22 CarbonylContact O-C 3.53Å; L19-H22 PolarHBondContact O-N 2.84Å; L19-H22 VanDerWaalsContact O-N 3.15Å; L20-H22 VanDerWaalsContact C-N 3.3Å; H22-E24 PolarHBondContact O-N 2.91Å; H22-L25 HydrophobicContact CB-CD1 3.91Å; H22-L25 HydrophobicContact CB-CG 4.15Å; H22-L25 PolarHBondContact O-N 3.26Å | ||
| 23 | P | 89.8 | Confident | 82.9 | Confident | 6 Ų | 6 | 75 Ų | 75 | 4% | 0.039 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -60.5 | -23.2 | -176.1 | 22.2 | -33.1 | 0 | 0 | 0 | 114.4 | L21 L25 L26 I31 T52 Y55 L56 | L21-P23 VanDerWaalsContact C-CD 3.49Å; L21-P23 VanDerWaalsContact O-CD 3.31Å; L21-P23 WeakPolarHBondContact O-CD 3.21Å; P23-L25 PolarHBondContact O-N 3.2Å; P23-L26 HydrophobicContact CB-CD1 4.4Å; P23-L26 WeakPolarHBondContact O-CB 3.11Å; P23-L26 PolarHBondContact O-N 2.65Å; P23-I31 WeakPolarHBondContact O-CD1 3.38Å; P23-T52 HydrophobicContact CB-CG2 3.62Å; P23-T52 HydrophobicContact CG-CG2 3.43Å; P23-T52 VanDerWaalsContact CG-CG2 3.43Å; P23-Y55 HydrophobicContact CB-CD1 3.51Å; P23-Y55 HydrophobicContact CB-CE1 3.86Å; P23-Y55 HydrophobicContact CB-CG 4.02Å; P23-Y55 HydrophobicContact CG-CD1 3.89Å; P23-Y55 HydrophobicContact CG-CE1 4.29Å; P23-L56 HydrophobicContact CG-CD2 3.63Å; P23-L56 HydrophobicContact CG-CG 4Å |
| 24 | E | 90.9 | Very high | 84.5 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -64.8 | -19.7 | 175.7 | -63.8 | -58.4 | 150 | 0 | 0 | 114.2 | H22 R48 T52 | H22-E24 PolarHBondContact O-N 2.91Å; E24-R48 IonicContact OE2-CZ 3.66Å; E24-R48 IonicContact OE2-NH1 3.97Å; E24-R48 PolarHBondContact OE2-NH1 3.44Å; E24-R48 IonicContact OE2-NH2 3.94Å; E24-T52 HydrophobicContact CG-CG2 4.33Å; E24-T52 VanDerWaalsContact OE1-CB 3.25Å; E24-T52 WeakPolarHBondContact OE1-CB 3.35Å; E24-T52 WeakPolarHBondContact OE1-CG2 3.47Å; E24-T52 PolarHBondContact OE1-OG1 3.34Å; E24-T52 VanDerWaalsContact OE1-OG1 3.1Å |
| 25 | L | 91.1 | Very high | 85.9 | Confident | 128 Ų | 128 | 66.6 Ų | 66.6 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -89.6 | -10.5 | 175.8 | -58.2 | -179.9 | 0 | 0 | 0 | 112.4 | H22 P23 | H22-L25 HydrophobicContact CB-CD1 3.91Å; H22-L25 HydrophobicContact CB-CG 4.15Å; H22-L25 PolarHBondContact O-N 3.26Å; P23-L25 PolarHBondContact O-N 3.2Å |
| 26 | L | 89.9 | Confident | 87.1 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 13% | 0.131 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -83.3 | 145.5 | 179.5 | -58.1 | 177.4 | 0 | 0 | 0 | 110.1 | P23 F30 I31 Y55 | P23-L26 HydrophobicContact CB-CD1 4.4Å; P23-L26 WeakPolarHBondContact O-CB 3.11Å; P23-L26 PolarHBondContact O-N 2.65Å; L26-F30 HydrophobicContact CB-CD1 3.94Å; L26-F30 HydrophobicContact CD1-CD1 3.82Å; L26-F30 HydrophobicContact CD1-CE1 3.83Å; L26-F30 HydrophobicContact CD2-CD1 3.82Å; L26-F30 HydrophobicContact CD2-CE1 3.74Å; L26-F30 HydrophobicContact CG-CD1 4.06Å; L26-F30 HydrophobicContact CG-CE1 4.27Å; L26-I31 HydrophobicContact CB-CD1 4.22Å; L26-I31 HydrophobicContact CB-CG1 3.84Å; L26-I31 HydrophobicContact CD1-CG1 4.45Å; L26-Y55 HydrophobicContact CD1-CE2 4.06Å |
| 27 | S | 92 | Very high | 88.2 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | trans | -65.5 | 149.5 | 173.6 | 69.6 | 0 | 0 | 0 | 0 | 110.5 | D29 F30 I31 | S27-D29 PolarHBondContact O-N 3.32Å; S27-F30 WeakPolarHBondContact O-CB 3.08Å; S27-F30 PolarHBondContact O-N 3.33Å; S27-F30 VanDerWaalsContact O-N 3.08Å; S27-F30 VanDerWaalsContact OG-CB 3.25Å; S27-F30 WeakPolarHBondContact OG-CB 3.15Å; S27-F30 PolarHBondContact OG-N 3.41Å; S27-I31 WeakPolarHBondContact O-CG1 3.4Å; S27-I31 PolarHBondContact O-N 2.99Å | ||
| 28 | Q | 92.9 | Very high | 89.2 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.3 | -42.6 | 178.2 | -175.5 | 174.2 | 1.1 | 0 | 0 | 111.6 | F30 I31 Q32 E46 L51 | Q28-F30 VanDerWaalsContact C-N 3.32Å; Q28-F30 PolarHBondContact O-N 3.26Å; Q28-I31 PolarHBondContact O-N 3.15Å; Q28-Q32 WeakPolarHBondContact O-CG 3.48Å; Q28-Q32 PolarHBondContact O-N 3.47Å; Q28-E46 PolarHBondContact NE2-O 3.41Å; Q28-L51 HydrophobicContact CG-CD2 3.89Å |
| 29 | D | 93.2 | Very high | 90.2 | Very high | 120 Ų | 120 | 78.4 Ų | 78.4 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 178.3 | -62.7 | -28.4 | 0 | 0 | 0 | 112.4 | S27 Q32 L33 | S27-D29 PolarHBondContact O-N 3.32Å; D29-Q32 PolarHBondContact O-N 3.44Å; D29-L33 WeakPolarHBondContact O-CB 3.28Å; D29-L33 PolarHBondContact O-N 3.45Å |
| 30 | F | 92.9 | Very high | 91.1 | Very high | 76 Ų | 76 | 76.7 Ų | 76.7 | 33% | 0.333 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 177.5 | -175.5 | -103.9 | 0 | 0 | 0 | 111.5 | L20 L26 S27 Q28 Q32 L33 I34 | L20-F30 HydrophobicContact CD2-CE1 4.09Å; L20-F30 HydrophobicContact CD2-CZ 4.38Å; L26-F30 HydrophobicContact CB-CD1 3.94Å; L26-F30 HydrophobicContact CD1-CD1 3.82Å; L26-F30 HydrophobicContact CD1-CE1 3.83Å; L26-F30 HydrophobicContact CD2-CD1 3.82Å; L26-F30 HydrophobicContact CD2-CE1 3.74Å; L26-F30 HydrophobicContact CG-CD1 4.06Å; L26-F30 HydrophobicContact CG-CE1 4.27Å; S27-F30 WeakPolarHBondContact O-CB 3.08Å; S27-F30 PolarHBondContact O-N 3.33Å; S27-F30 VanDerWaalsContact O-N 3.08Å; S27-F30 VanDerWaalsContact OG-CB 3.25Å; S27-F30 WeakPolarHBondContact OG-CB 3.15Å; S27-F30 PolarHBondContact OG-N 3.41Å; Q28-F30 VanDerWaalsContact C-N 3.32Å; Q28-F30 PolarHBondContact O-N 3.26Å; F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 2.96Å; F30-L33 WeakPolarHBondContact O-CB 2.95Å; F30-L33 PolarHBondContact O-N 3.26Å; F30-I34 HydrophobicContact CD1-CD1 3.81Å; F30-I34 HydrophobicContact CE1-CD1 3.27Å; F30-I34 HydrophobicContact CE1-CG1 4.34Å; F30-I34 HydrophobicContact CE2-CD1 4.25Å; F30-I34 HydrophobicContact CZ-CD1 3.54Å; F30-I34 HydrophobicContact CZ-CG1 4.37Å; F30-I34 PolarHBondContact O-N 3.2Å; F30-I34 VanDerWaalsContact O-N 3.07Å |
| 31 | I | 92.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 173.9 | -61.2 | 169.6 | 0 | 0 | 0 | 110.3 | P23 L26 S27 Q28 L33 I34 L35 L51 Y55 | P23-I31 WeakPolarHBondContact O-CD1 3.38Å; L26-I31 HydrophobicContact CB-CD1 4.22Å; L26-I31 HydrophobicContact CB-CG1 3.84Å; L26-I31 HydrophobicContact CD1-CG1 4.45Å; S27-I31 WeakPolarHBondContact O-CG1 3.4Å; S27-I31 PolarHBondContact O-N 2.99Å; Q28-I31 PolarHBondContact O-N 3.15Å; I31-L33 VanDerWaalsContact C-N 3.33Å; I31-L33 PolarHBondContact O-N 2.91Å; I31-I34 PolarHBondContact O-N 3.16Å; I31-L35 HydrophobicContact CG2-CD1 3.88Å; I31-L35 HydrophobicContact CG2-CG 4.34Å; I31-L35 WeakPolarHBondContact O-CB 3.4Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.24Å; I31-L35 PolarHBondContact O-N 2.98Å; I31-L51 HydrophobicContact CB-CD2 4.13Å; I31-L51 HydrophobicContact CG2-CB 3.86Å; I31-L51 HydrophobicContact CG2-CD2 3.96Å; I31-L51 HydrophobicContact CG2-CG 4.44Å; I31-Y55 HydrophobicContact CG2-CD2 4.04Å; I31-Y55 HydrophobicContact CG2-CG 4.39Å |
| 32 | Q | 93.4 | Very high | 91.4 | Very high | 44 Ų | 44 | 75.1 Ų | 75.1 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.7 | -69.5 | -172 | 11.1 | 0 | 0 | 112.8 | Q28 D29 F30 L35 K36 L51 | Q28-Q32 WeakPolarHBondContact O-CG 3.48Å; Q28-Q32 PolarHBondContact O-N 3.47Å; D29-Q32 PolarHBondContact O-N 3.44Å; F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 2.96Å; Q32-L35 PolarHBondContact O-N 3.33Å; Q32-K36 WeakPolarHBondContact O-CB 3.43Å; Q32-K36 VanDerWaalsContact O-CG 3.24Å; Q32-K36 WeakPolarHBondContact O-CG 3.42Å; Q32-K36 PolarHBondContact O-N 3.28Å; Q32-L51 HydrophobicContact CB-CD2 4.38Å; Q32-L51 HydrophobicContact CG-CD2 3.29Å; Q32-L51 HydrophobicContact CG-CG 4.48Å |
| 33 | L | 93.6 | Very high | 90.8 | Very high | 110 Ų | 110 | 81.8 Ų | 81.8 | 58% | 0.576 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.1 | -49.9 | -179.7 | -176.1 | 64.9 | 0 | 0 | 0 | 110.6 | D29 F30 I31 L35 K36 E37 | D29-L33 WeakPolarHBondContact O-CB 3.28Å; D29-L33 PolarHBondContact O-N 3.45Å; F30-L33 WeakPolarHBondContact O-CB 2.95Å; F30-L33 PolarHBondContact O-N 3.26Å; I31-L33 VanDerWaalsContact C-N 3.33Å; I31-L33 PolarHBondContact O-N 2.91Å; L33-L35 PolarHBondContact O-N 3.29Å; L33-K36 PolarHBondContact O-N 3.08Å; L33-E37 PolarHBondContact O-N 3.2Å |
| 34 | I | 92.6 | Very high | 89.8 | Confident | 17 Ų | 17 | 85.6 Ų | 85.6 | 9% | 0.087 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.1 | -66 | 176.8 | 0 | 0 | 0 | 111 | L20 F30 I31 K36 E37 R38 Y55 V59 | L20-I34 HydrophobicContact CD2-CD1 4.15Å; F30-I34 HydrophobicContact CD1-CD1 3.81Å; F30-I34 HydrophobicContact CE1-CD1 3.27Å; F30-I34 HydrophobicContact CE1-CG1 4.34Å; F30-I34 HydrophobicContact CE2-CD1 4.25Å; F30-I34 HydrophobicContact CZ-CD1 3.54Å; F30-I34 HydrophobicContact CZ-CG1 4.37Å; F30-I34 PolarHBondContact O-N 3.2Å; F30-I34 VanDerWaalsContact O-N 3.07Å; I31-I34 PolarHBondContact O-N 3.16Å; I34-K36 VanDerWaalsContact C-N 3.32Å; I34-K36 PolarHBondContact O-N 3.28Å; I34-E37 WeakPolarHBondContact O-CB 3.41Å; I34-E37 PolarHBondContact O-N 2.86Å; I34-R38 HydrophobicContact CG2-CG 4.49Å; I34-R38 WeakPolarHBondContact O-CG 3.4Å; I34-R38 PolarHBondContact O-N 3.29Å; I34-Y55 HydrophobicContact CB-CE2 4.28Å; I34-Y55 HydrophobicContact CD1-CE2 3.79Å; I34-Y55 HydrophobicContact CG2-CD2 4.39Å; I34-Y55 HydrophobicContact CG2-CE2 3.97Å; I34-V59 HydrophobicContact CG2-CB 4.41Å; I34-V59 HydrophobicContact CG2-CG1 3.94Å; I34-V59 HydrophobicContact CG2-CG2 3.54Å |
| 35 | L | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 178.3 | -74 | 176.2 | 0 | 0 | 0 | 112.3 | I31 Q32 L33 R38 N39 V40 T42 L54 V59 | I31-L35 HydrophobicContact CG2-CD1 3.88Å; I31-L35 HydrophobicContact CG2-CG 4.34Å; I31-L35 WeakPolarHBondContact O-CB 3.4Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.24Å; I31-L35 PolarHBondContact O-N 2.98Å; Q32-L35 PolarHBondContact O-N 3.33Å; L33-L35 PolarHBondContact O-N 3.29Å; L35-R38 CarbonylContact O-C 3.47Å; L35-R38 PolarHBondContact O-N 3.43Å; L35-N39 PolarHBondContact O-N 3.02Å; L35-V40 HydrophobicContact CB-CB 4.25Å; L35-V40 HydrophobicContact CD2-CB 4.08Å; L35-V40 HydrophobicContact CD2-CG1 4.21Å; L35-V40 HydrophobicContact CD2-CG2 4.23Å; L35-V40 WeakPolarHBondContact O-CB 2.89Å; L35-V40 PolarHBondContact O-N 3.25Å; L35-T42 HydrophobicContact CB-CG2 3.72Å; L35-T42 HydrophobicContact CD1-CG2 3.78Å; L35-T42 HydrophobicContact CG-CG2 4.42Å; L35-L54 HydrophobicContact CD1-CB 3.87Å; L35-L54 HydrophobicContact CD1-CD1 4.49Å; L35-L54 HydrophobicContact CD2-CB 4.04Å; L35-V59 HydrophobicContact CD2-CG2 4.38Å |
| 36 | K | 92.8 | Very high | 87.7 | Confident | 120 Ų | 120 | 83.4 Ų | 83.4 | 52% | 0.522 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 174 | -74.7 | 167.9 | -177.1 | 167.8 | 0 | 111.7 | Q32 L33 I34 R38 N39 | Q32-K36 WeakPolarHBondContact O-CB 3.43Å; Q32-K36 VanDerWaalsContact O-CG 3.24Å; Q32-K36 WeakPolarHBondContact O-CG 3.42Å; Q32-K36 PolarHBondContact O-N 3.28Å; L33-K36 PolarHBondContact O-N 3.08Å; I34-K36 VanDerWaalsContact C-N 3.32Å; I34-K36 PolarHBondContact O-N 3.28Å; K36-R38 VanDerWaalsContact C-N 3.25Å; K36-R38 PolarHBondContact O-N 3.27Å; K36-N39 PolarHBondContact O-N 3.27Å |
| 37 | E | 93.3 | Very high | 87.8 | Confident | 144 Ų | 144 | 87.6 Ų | 87.6 | 67% | 0.673 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.5 | -38.2 | 174.5 | -171.9 | -173.3 | 169.2 | 0 | 0 | 111.5 | L33 I34 N39 | L33-E37 PolarHBondContact O-N 3.2Å; I34-E37 WeakPolarHBondContact O-CB 3.41Å; I34-E37 PolarHBondContact O-N 2.86Å; E37-N39 PolarHBondContact O-N 3.03Å |
| 38 | R | 91 | Very high | 87.7 | Confident | 144 Ų | 144 | 90 Ų | 90 | 54% | 0.543 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 11.8 | 175 | -62 | -61.4 | -174.3 | 149 | 2 | 114.3 | I34 L35 K36 V40 V59 | I34-R38 HydrophobicContact CG2-CG 4.49Å; I34-R38 WeakPolarHBondContact O-CG 3.4Å; I34-R38 PolarHBondContact O-N 3.29Å; L35-R38 CarbonylContact O-C 3.47Å; L35-R38 PolarHBondContact O-N 3.43Å; K36-R38 VanDerWaalsContact C-N 3.25Å; K36-R38 PolarHBondContact O-N 3.27Å; R38-V40 HydrophobicContact CB-CG2 4.2Å; R38-V40 PolarHBondContact O-N 3.29Å; R38-V59 HydrophobicContact CG-CG2 4.36Å |
| 39 | N | 91.8 | Very high | 87.6 | Confident | 152 Ų | 152 | 91.7 Ų | 91.7 | 81% | 0.813 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.9 | -177.7 | -56.4 | 106.7 | 0 | 0 | 0 | 114.2 | L35 K36 E37 | L35-N39 PolarHBondContact O-N 3.02Å; K36-N39 PolarHBondContact O-N 3.27Å; E37-N39 PolarHBondContact O-N 3.03Å |
| 40 | V | 91.4 | Very high | 87.6 | Confident | 22 Ų | 22 | 92.3 Ų | 92.3 | 13% | 0.133 | 45% | 0.446 | C | S | . | . | trans | -92 | 127.2 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | L35 R38 T42 L54 H58 | L35-V40 HydrophobicContact CB-CB 4.25Å; L35-V40 HydrophobicContact CD2-CB 4.08Å; L35-V40 HydrophobicContact CD2-CG1 4.21Å; L35-V40 HydrophobicContact CD2-CG2 4.23Å; L35-V40 WeakPolarHBondContact O-CB 2.89Å; L35-V40 PolarHBondContact O-N 3.25Å; R38-V40 HydrophobicContact CB-CG2 4.2Å; R38-V40 PolarHBondContact O-N 3.29Å; V40-T42 PolarHBondContact O-N 2.94Å; V40-L54 HydrophobicContact CG1-CD1 4.28Å; V40-L54 HydrophobicContact CG1-CD2 4.18Å; V40-H58 HydrophobicContact CG2-CB 3.98Å | ||
| 41 | S | 86.8 | Confident | 87.6 | Confident | 104 Ų | 104 | 88.7 Ų | 88.7 | 73% | 0.727 | 43% | 0.43 | S | S | * | . | trans | -74.5 | 115.5 | -178.4 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 42 | T | 85.6 | Confident | 87.6 | Confident | 16 Ų | 16 | 88.8 Ų | 88.8 | 10% | 0.098 | 43% | 0.43 | C | S | . | . | trans | -98.9 | -0.5 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | L35 V40 A44 C45 | L35-T42 HydrophobicContact CB-CG2 3.72Å; L35-T42 HydrophobicContact CD1-CG2 3.78Å; L35-T42 HydrophobicContact CG-CG2 4.42Å; V40-T42 PolarHBondContact O-N 2.94Å; T42-A44 PolarHBondContact O-N 3.42Å; T42-C45 PolarHBondContact O-N 3.48Å; T42-C45 VanDerWaalsContact O-N 3.08Å | ||
| 43 | R | 76 | Confident | 87.5 | Confident | 251 Ų | 251 | 93 Ų | 93 | 95% | 0.947 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -17.9 | -171.2 | -79.4 | -166.4 | -157.4 | -171 | 5.9 | 116.6 | ||
| 44 | A | 69.1 | Low | 87.5 | Confident | 86 Ų | 86 | 89.6 Ų | 89.6 | 71% | 0.711 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 16 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T42 R50 | T42-A44 PolarHBondContact O-N 3.42Å; A44-R50 PolarHBondContact O-NH1 2.78Å |
| 45 | C | 64 | Low | 87.5 | Confident | 8 Ų | 8 | 88.8 Ų | 88.8 | 5% | 0.054 | 43% | 0.428 | C | S | . | . | trans | -128.5 | 87.4 | -170.9 | -159.5 | 0 | 0 | 0 | 0 | 108.3 | T42 R50 L51 | T42-C45 PolarHBondContact O-N 3.48Å; T42-C45 VanDerWaalsContact O-N 3.08Å; C45-R50 VanDerWaalsContact SG-C 3.57Å; C45-R50 WeakPolarHBondContact SG-CB 3.25Å; C45-R50 WeakPolarHBondContact SG-CD 3.27Å; C45-R50 WeakPolarHBondContact SG-CG 3.44Å; C45-L51 HydrophobicContact CB-CD1 4.42Å; C45-L51 WeakPolarHBondContact O-CD1 3.35Å | ||
| 46 | E | 75.2 | Confident | 87.4 | Confident | 167 Ų | 167 | 92.8 Ų | 92.8 | 78% | 0.78 | 45% | 0.449 | S | S | * | . | trans | -90 | -20.6 | 174 | -62.2 | -177.3 | -177.8 | 0 | 0 | 111.2 | Q28 R48 | Q28-E46 PolarHBondContact NE2-O 3.41Å; E46-R48 PolarHBondContact O-N 3.13Å | ||
| 47 | D | 89.9 | Confident | 87.3 | Confident | 113 Ų | 113 | 95.6 Ų | 95.6 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | trans | -69.6 | 123 | 179.4 | -64 | -19.5 | 0 | 0 | 0 | 111.3 | D49 R50 L51 | D47-D49 VanDerWaalsContact C-N 3.32Å; D47-D49 PolarHBondContact O-N 3.3Å; D47-R50 HydrophobicContact CB-CB 4.2Å; D47-R50 PolarHBondContact O-N 3.1Å; D47-R50 VanDerWaalsContact O-N 3.15Å; D47-L51 WeakPolarHBondContact O-CD1 3.46Å; D47-L51 PolarHBondContact O-N 2.9Å; D47-L51 VanDerWaalsContact O-N 3.12Å | ||
| 48 | R | 91.2 | Very high | 87 | Confident | 121 Ų | 121 | 92.4 Ų | 92.4 | 46% | 0.457 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -52.8 | -48.1 | 179.8 | -173.3 | 170.3 | 68.8 | 85.4 | 15 | 112.1 | E24 E46 R50 L51 T52 | E24-R48 IonicContact OE2-CZ 3.66Å; E24-R48 IonicContact OE2-NH1 3.97Å; E24-R48 PolarHBondContact OE2-NH1 3.44Å; E24-R48 IonicContact OE2-NH2 3.94Å; E46-R48 PolarHBondContact O-N 3.13Å; R48-R50 PolarHBondContact O-N 3.15Å; R48-L51 WeakPolarHBondContact O-CB 3.45Å; R48-L51 PolarHBondContact O-N 3.07Å; R48-L51 VanDerWaalsContact O-N 3.16Å; R48-T52 PolarHBondContact O-N 3.26Å; R48-T52 PolarHBondContact O-OG1 3.1Å |
| 49 | D | 91.4 | Very high | 87 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.7 | -36.8 | -176.9 | -59.8 | -10.8 | 0 | 0 | 0 | 111.9 | D47 T52 E53 | D47-D49 VanDerWaalsContact C-N 3.32Å; D47-D49 PolarHBondContact O-N 3.3Å; D49-T52 PolarHBondContact O-N 3.31Å; D49-E53 PolarHBondContact O-N 3.43Å |
| 50 | R | 92.8 | Very high | 86.7 | Confident | 133 Ų | 133 | 81.8 Ų | 81.8 | 50% | 0.502 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -79.5 | -27.6 | -178.5 | -166.3 | 179.2 | 178.5 | -145.9 | 1.4 | 112.2 | A44 C45 D47 R48 L54 | A44-R50 PolarHBondContact O-NH1 2.78Å; C45-R50 VanDerWaalsContact SG-C 3.57Å; C45-R50 WeakPolarHBondContact SG-CB 3.25Å; C45-R50 WeakPolarHBondContact SG-CD 3.27Å; C45-R50 WeakPolarHBondContact SG-CG 3.44Å; D47-R50 HydrophobicContact CB-CB 4.2Å; D47-R50 PolarHBondContact O-N 3.1Å; D47-R50 VanDerWaalsContact O-N 3.15Å; R48-R50 PolarHBondContact O-N 3.15Å; R50-L54 WeakPolarHBondContact O-CG 3.25Å; R50-L54 PolarHBondContact O-N 3.26Å |
| 51 | L | 92.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 163.8 | -89.3 | 91.5 | 0 | 0 | 0 | 111.3 | Q28 I31 Q32 C45 D47 R48 E53 L54 Y55 | Q28-L51 HydrophobicContact CG-CD2 3.89Å; I31-L51 HydrophobicContact CB-CD2 4.13Å; I31-L51 HydrophobicContact CG2-CB 3.86Å; I31-L51 HydrophobicContact CG2-CD2 3.96Å; I31-L51 HydrophobicContact CG2-CG 4.44Å; Q32-L51 HydrophobicContact CB-CD2 4.38Å; Q32-L51 HydrophobicContact CG-CD2 3.29Å; Q32-L51 HydrophobicContact CG-CG 4.48Å; C45-L51 HydrophobicContact CB-CD1 4.42Å; C45-L51 WeakPolarHBondContact O-CD1 3.35Å; D47-L51 WeakPolarHBondContact O-CD1 3.46Å; D47-L51 PolarHBondContact O-N 2.9Å; D47-L51 VanDerWaalsContact O-N 3.12Å; R48-L51 WeakPolarHBondContact O-CB 3.45Å; R48-L51 PolarHBondContact O-N 3.07Å; R48-L51 VanDerWaalsContact O-N 3.16Å; L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 2.88Å; L51-L54 PolarHBondContact O-N 3.04Å; L51-Y55 PolarHBondContact O-N 3.39Å |
| 52 | T | 92.5 | Very high | 85.7 | Confident | 3 Ų | 3 | 87.8 Ų | 87.8 | 2% | 0.018 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 179.1 | -50.6 | 0 | 0 | 0 | 0 | 111 | P23 E24 R48 D49 L54 Y55 L56 | P23-T52 HydrophobicContact CB-CG2 3.62Å; P23-T52 HydrophobicContact CG-CG2 3.43Å; P23-T52 VanDerWaalsContact CG-CG2 3.43Å; E24-T52 HydrophobicContact CG-CG2 4.33Å; E24-T52 VanDerWaalsContact OE1-CB 3.25Å; E24-T52 WeakPolarHBondContact OE1-CB 3.35Å; E24-T52 WeakPolarHBondContact OE1-CG2 3.47Å; E24-T52 PolarHBondContact OE1-OG1 3.34Å; E24-T52 VanDerWaalsContact OE1-OG1 3.1Å; R48-T52 PolarHBondContact O-N 3.26Å; R48-T52 PolarHBondContact O-OG1 3.1Å; D49-T52 PolarHBondContact O-N 3.31Å; T52-L54 VanDerWaalsContact C-N 3.34Å; T52-L54 PolarHBondContact O-N 3.23Å; T52-Y55 WeakPolarHBondContact O-CB 3.46Å; T52-Y55 PolarHBondContact O-N 3.23Å; T52-Y55 VanDerWaalsContact O-N 3.12Å; T52-L56 HydrophobicContact CG2-CD1 4.33Å; T52-L56 HydrophobicContact CG2-CG 4.39Å; T52-L56 WeakPolarHBondContact O-CG 3.21Å; T52-L56 PolarHBondContact O-N 3.07Å |
| 53 | E | 91.9 | Very high | 84.8 | Confident | 133 Ų | 133 | 93.2 Ų | 93.2 | 62% | 0.621 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.4 | -44.7 | 176.8 | -169.5 | -175.9 | -176.6 | 0 | 0 | 111.9 | D49 L51 Y55 L56 R57 | D49-E53 PolarHBondContact O-N 3.43Å; L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 2.88Å; E53-Y55 VanDerWaalsContact C-N 3.32Å; E53-Y55 PolarHBondContact O-N 2.79Å; E53-L56 PolarHBondContact O-N 3.21Å; E53-R57 PolarHBondContact O-N 3.39Å; E53-R57 VanDerWaalsContact O-N 3.1Å |
| 54 | L | 92.5 | Very high | 84.8 | Confident | 38 Ų | 38 | 87.3 Ų | 87.3 | 20% | 0.199 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 174.5 | -73.6 | 173.1 | 0 | 0 | 0 | 111.7 | L35 V40 R50 L51 T52 R57 H58 | L35-L54 HydrophobicContact CD1-CB 3.87Å; L35-L54 HydrophobicContact CD1-CD1 4.49Å; L35-L54 HydrophobicContact CD2-CB 4.04Å; V40-L54 HydrophobicContact CG1-CD1 4.28Å; V40-L54 HydrophobicContact CG1-CD2 4.18Å; R50-L54 WeakPolarHBondContact O-CG 3.25Å; R50-L54 PolarHBondContact O-N 3.26Å; L51-L54 PolarHBondContact O-N 3.04Å; T52-L54 VanDerWaalsContact C-N 3.34Å; T52-L54 PolarHBondContact O-N 3.23Å; L54-R57 PolarHBondContact O-N 2.98Å; L54-H58 WeakPolarHBondContact O-CB 3.46Å; L54-H58 PolarHBondContact O-CD2 3.12Å; L54-H58 VanDerWaalsContact O-CD2 3.23Å; L54-H58 PolarHBondContact O-N 3.47Å |
| 55 | Y | 92.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 93.1 Ų | 93.1 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60 | -51.2 | 176.8 | -176 | -81.1 | 0 | 0 | 0 | 111.3 | L20 P23 L26 I31 I34 L51 T52 E53 R57 H58 V59 I60 | L20-Y55 WeakPolarHBondContact CD2-OH 3.35Å; L20-Y55 WeakPolarHBondContact O-CE1 3.46Å; L20-Y55 PolarHBondContact O-OH 3.31Å; P23-Y55 HydrophobicContact CB-CD1 3.51Å; P23-Y55 HydrophobicContact CB-CE1 3.86Å; P23-Y55 HydrophobicContact CB-CG 4.02Å; P23-Y55 HydrophobicContact CG-CD1 3.89Å; P23-Y55 HydrophobicContact CG-CE1 4.29Å; L26-Y55 HydrophobicContact CD1-CE2 4.06Å; I31-Y55 HydrophobicContact CG2-CD2 4.04Å; I31-Y55 HydrophobicContact CG2-CG 4.39Å; I34-Y55 HydrophobicContact CB-CE2 4.28Å; I34-Y55 HydrophobicContact CD1-CE2 3.79Å; I34-Y55 HydrophobicContact CG2-CD2 4.39Å; I34-Y55 HydrophobicContact CG2-CE2 3.97Å; L51-Y55 PolarHBondContact O-N 3.39Å; T52-Y55 WeakPolarHBondContact O-CB 3.46Å; T52-Y55 PolarHBondContact O-N 3.23Å; T52-Y55 VanDerWaalsContact O-N 3.12Å; E53-Y55 VanDerWaalsContact C-N 3.32Å; E53-Y55 PolarHBondContact O-N 2.79Å; Y55-R57 PolarHBondContact O-N 2.94Å; Y55-H58 PolarHBondContact O-N 3.06Å; Y55-V59 HydrophobicContact CD1-CB 4.06Å; Y55-V59 HydrophobicContact CD1-CG2 4.49Å; Y55-V59 HydrophobicContact CD2-CB 4Å; Y55-V59 HydrophobicContact CD2-CG1 4.32Å; Y55-V59 HydrophobicContact CD2-CG2 3.65Å; Y55-V59 HydrophobicContact CE1-CB 3.95Å; Y55-V59 HydrophobicContact CE1-CG1 3.98Å; Y55-V59 HydrophobicContact CE2-CB 3.9Å; Y55-V59 HydrophobicContact CE2-CG1 3.71Å; Y55-V59 HydrophobicContact CE2-CG2 3.86Å; Y55-V59 HydrophobicContact CG-CB 4.09Å; Y55-V59 HydrophobicContact CG-CG2 4.01Å; Y55-V59 WeakPolarHBondContact O-CA 3.37Å; Y55-V59 VanDerWaalsContact O-CB 3.27Å; Y55-V59 WeakPolarHBondContact O-CB 3.42Å; Y55-V59 PolarHBondContact O-N 3.03Å; Y55-I60 HydrophobicContact CD1-CD1 4.3Å; Y55-I60 HydrophobicContact CD1-CG1 4.19Å; Y55-I60 HydrophobicContact CE1-CD1 3.86Å; Y55-I60 HydrophobicContact CE1-CG1 3.75Å |
| 56 | L | 91.2 | Very high | 86.3 | Confident | 84 Ų | 84 | 98.7 Ų | 98.7 | 44% | 0.44 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57 | -40.6 | 178.7 | -70.8 | 173.8 | 0 | 0 | 0 | 111.6 | P23 T52 E53 I60 | P23-L56 HydrophobicContact CG-CD2 3.63Å; P23-L56 HydrophobicContact CG-CG 4Å; T52-L56 HydrophobicContact CG2-CD1 4.33Å; T52-L56 HydrophobicContact CG2-CG 4.39Å; T52-L56 WeakPolarHBondContact O-CG 3.21Å; T52-L56 PolarHBondContact O-N 3.07Å; E53-L56 PolarHBondContact O-N 3.21Å; L56-I60 HydrophobicContact CD2-CD1 3.87Å; L56-I60 CarbonylContact O-C 3.54Å |
| 57 | R | 88.9 | Confident | 86.9 | Confident | 179 Ų | 179 | 93.3 Ų | 93.3 | 68% | 0.675 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.2 | -38.8 | -178.9 | -174.1 | 177.2 | -178.9 | 172 | -0.9 | 113.7 | E53 L54 Y55 | E53-R57 PolarHBondContact O-N 3.39Å; E53-R57 VanDerWaalsContact O-N 3.1Å; L54-R57 PolarHBondContact O-N 2.98Å; Y55-R57 PolarHBondContact O-N 2.94Å |
| 58 | H | 88.5 | Confident | 86.9 | Confident | 77 Ų | 77 | 90.5 Ų | 90.5 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -107.4 | -28.5 | -167.3 | -68.3 | -70.5 | 0 | 0 | 0 | 114.4 | V40 L54 Y55 | V40-H58 HydrophobicContact CG2-CB 3.98Å; L54-H58 WeakPolarHBondContact O-CB 3.46Å; L54-H58 PolarHBondContact O-CD2 3.12Å; L54-H58 VanDerWaalsContact O-CD2 3.23Å; L54-H58 PolarHBondContact O-N 3.47Å; Y55-H58 PolarHBondContact O-N 3.06Å |
| 59 | V | 89.5 | Confident | 86.9 | Confident | 27 Ų | 27 | 91.3 Ų | 91.3 | 16% | 0.164 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -32.2 | -175.6 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | I34 L35 R38 Y55 P61 | I34-V59 HydrophobicContact CG2-CB 4.41Å; I34-V59 HydrophobicContact CG2-CG1 3.94Å; I34-V59 HydrophobicContact CG2-CG2 3.54Å; L35-V59 HydrophobicContact CD2-CG2 4.38Å; R38-V59 HydrophobicContact CG-CG2 4.36Å; Y55-V59 HydrophobicContact CD1-CB 4.06Å; Y55-V59 HydrophobicContact CD1-CG2 4.49Å; Y55-V59 HydrophobicContact CD2-CB 4Å; Y55-V59 HydrophobicContact CD2-CG1 4.32Å; Y55-V59 HydrophobicContact CD2-CG2 3.65Å; Y55-V59 HydrophobicContact CE1-CB 3.95Å; Y55-V59 HydrophobicContact CE1-CG1 3.98Å; Y55-V59 HydrophobicContact CE2-CB 3.9Å; Y55-V59 HydrophobicContact CE2-CG1 3.71Å; Y55-V59 HydrophobicContact CE2-CG2 3.86Å; Y55-V59 HydrophobicContact CG-CB 4.09Å; Y55-V59 HydrophobicContact CG-CG2 4.01Å; Y55-V59 WeakPolarHBondContact O-CA 3.37Å; Y55-V59 VanDerWaalsContact O-CB 3.27Å; Y55-V59 WeakPolarHBondContact O-CB 3.42Å; Y55-V59 PolarHBondContact O-N 3.03Å; V59-P61 WeakPolarHBondContact O-CD 3.48Å |
| 60 | I | 86.3 | Confident | 87 | Confident | 46 Ų | 46 | 89.5 Ų | 89.5 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -111.9 | 74.1 | 175.3 | -43.7 | -176.8 | 0 | 0 | 0 | 109.9 | L20 L21 Y55 L56 L62 | L20-I60 VanDerWaalsContact O-CD1 3.23Å; L20-I60 WeakPolarHBondContact O-CD1 3.23Å; L21-I60 HydrophobicContact CD2-CG2 4.48Å; Y55-I60 HydrophobicContact CD1-CD1 4.3Å; Y55-I60 HydrophobicContact CD1-CG1 4.19Å; Y55-I60 HydrophobicContact CE1-CD1 3.86Å; Y55-I60 HydrophobicContact CE1-CG1 3.75Å; L56-I60 HydrophobicContact CD2-CD1 3.87Å; L56-I60 CarbonylContact O-C 3.54Å; I60-L62 PolarHBondContact O-N 3.24Å; I60-L62 VanDerWaalsContact O-N 3.14Å |
| 61 | P | 80.1 | Confident | 87 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 63% | 0.63 | 46% | 0.461 | S | S | * | . | trans | -57.7 | 126.6 | 176 | -7 | 12.1 | 0 | 0 | 0 | 109.9 | V59 | V59-P61 WeakPolarHBondContact O-CD 3.48Š| ||
| 62 | L | 77.3 | Confident | 86.9 | Confident | 155 Ų | 155 | 100.1 Ų | 100.1 | 81% | 0.812 | 49% | 0.488 | S | S | * | . | trans | -53.9 | 132.3 | 173.1 | -76.3 | 134.9 | 0 | 0 | 0 | 109 | I60 Q64 | I60-L62 PolarHBondContact O-N 3.24Å; I60-L62 VanDerWaalsContact O-N 3.14Å; L62-Q64 PolarHBondContact O-N 3.29Å | ||
| 63 | P | 66.8 | Low | 87 | Confident | 130 Ų | 130 | 100 Ų | 100 | 84% | 0.844 | 49% | 0.487 | S | S | * | . | trans | -55.4 | 107.3 | 175.1 | 19.6 | -29.9 | 0 | 0 | 0 | 109.1 | R65 | P63-R65 PolarHBondContact O-N 3.45Š| ||
| 64 | Q | 76.2 | Confident | 86.9 | Confident | 128 Ų | 128 | 99.3 Ų | 99.3 | 60% | 0.598 | 48% | 0.479 | S | S | * | . | trans | -80.1 | 95.2 | -175.3 | 175.5 | 142.8 | -19.8 | 0 | 0 | 107.8 | L62 T66 R80 | L62-Q64 PolarHBondContact O-N 3.29Å; Q64-T66 PolarHBondContact O-N 3.47Å; Q64-T66 VanDerWaalsContact O-N 3.09Å; Q64-R80 VanDerWaalsContact CD-NH2 3.33Å | ||
| 65 | R | 78.8 | Confident | 86.9 | Confident | 207 Ų | 207 | 101.4 Ų | 101.4 | 78% | 0.781 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -48.2 | 122.4 | 176.3 | -176.4 | 176.5 | 161.5 | 117.2 | -1.7 | 109.5 | P63 L67 | P63-R65 PolarHBondContact O-N 3.45Å; R65-L67 PolarHBondContact O-N 2.91Å |
| 66 | T | 85.7 | Confident | 86.7 | Confident | 125 Ų | 125 | 105.2 Ų | 105.2 | 77% | 0.767 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 124.1 | 174.9 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | Q64 | Q64-T66 PolarHBondContact O-N 3.47Å; Q64-T66 VanDerWaalsContact O-N 3.09Å |
| 67 | L | 88.1 | Confident | 86.6 | Confident | 54 Ų | 54 | 107.7 Ų | 107.7 | 28% | 0.283 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 137.7 | 175.2 | -70.8 | 167.3 | 0 | 0 | 0 | 107.7 | R65 W72 M76 Q77 | R65-L67 PolarHBondContact O-N 2.91Å; L67-W72 HydrophobicContact CD2-CE3 4.47Å; L67-W72 HydrophobicContact CD2-CH2 4.26Å; L67-W72 HydrophobicContact CD2-CZ3 3.73Å; L67-M76 HydrophobicContact CD1-CB 3.64Å; L67-M76 HydrophobicContact CD2-CB 4.02Å; L67-M76 HydrophobicContact CG-CB 4.48Å; L67-Q77 HydrophobicContact CD1-CB 4.01Å |
| 68 | P | 89.6 | Confident | 86.5 | Confident | 55 Ų | 55 | 107.1 Ų | 107.1 | 36% | 0.357 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 149 | 176.4 | 25.8 | -33.2 | 0 | 0 | 0 | 110.6 | N70 W72 G73 | P68-N70 PolarHBondContact O-N 3.2Å; P68-W72 HydrophobicContact CG-CE3 4.38Å; P68-G73 WeakPolarHBondContact O-CA 3.33Å |
| 69 | D | 91 | Very high | 86.1 | Confident | 137 Ų | 137 | 105.9 Ų | 105.9 | 73% | 0.733 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -77.9 | 55.9 | 178.2 | -172.1 | 24.1 | 0 | 0 | 0 | 112.7 | R74 | D69-R74 PolarHBondContact O-NH1 3.01Å; D69-R74 IonicContact OD1-CZ 2.78Å; D69-R74 IonicContact OD1-NH1 3.82Å; D69-R74 PolarHBondContact OD1-NH1 3.15Å; D69-R74 IonicContact OD2-NH1 2.74Å |
| 70 | N | 93.8 | Very high | 85.3 | Confident | 72 Ų | 72 | 110.1 Ų | 110.1 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -118.7 | 173.9 | 173 | 67.1 | 17 | 0 | 0 | 0 | 110.3 | P68 W72 G73 R74 | P68-N70 PolarHBondContact O-N 3.2Å; N70-W72 PolarHBondContact O-N 3.35Å; N70-W72 VanDerWaalsContact O-N 3.15Å; N70-W72 WeakPolarHBondContact OD1-CB 3.31Å; N70-W72 PolarHBondContact OD1-N 3.28Å; N70-G73 PolarHBondContact O-N 2.86Å; N70-G73 VanDerWaalsContact O-N 3.15Å; N70-G73 PolarHBondContact OD1-N 3.14Å; N70-R74 PolarHBondContact O-N 3.33Å |
| 71 | R | 93.3 | Very high | 84.2 | Confident | 209 Ų | 209 | 111.1 Ų | 111.1 | 79% | 0.789 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -55.2 | -34.8 | -179.9 | -172.9 | 173 | 177.4 | -107.9 | 0.9 | 112.4 | T75 | R71-T75 WeakPolarHBondContact O-CB 3.4Å; R71-T75 PolarHBondContact O-N 3.35Å; R71-T75 PolarHBondContact O-OG1 3.5Å |
| 72 | W | 90.4 | Very high | 83.2 | Confident | 146 Ų | 146 | 117 Ų | 117 | 55% | 0.553 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.5 | -47.9 | 177.4 | -177 | 86.2 | 0 | 0 | 0 | 111.8 | L67 P68 N70 R74 T75 M76 | L67-W72 HydrophobicContact CD2-CE3 4.47Å; L67-W72 HydrophobicContact CD2-CH2 4.26Å; L67-W72 HydrophobicContact CD2-CZ3 3.73Å; P68-W72 HydrophobicContact CG-CE3 4.38Å; N70-W72 PolarHBondContact O-N 3.35Å; N70-W72 VanDerWaalsContact O-N 3.15Å; N70-W72 WeakPolarHBondContact OD1-CB 3.31Å; N70-W72 PolarHBondContact OD1-N 3.28Å; W72-R74 PolarHBondContact O-N 3.42Å; W72-T75 PolarHBondContact O-N 2.74Å; W72-M76 HydrophobicContact CD2-CG 4.04Å; W72-M76 HydrophobicContact CE3-CG 4.34Å; W72-M76 HydrophobicContact CH2-CG 4.23Å; W72-M76 HydrophobicContact CZ2-CE 3.81Å; W72-M76 HydrophobicContact CZ2-CG 3.92Å; W72-M76 HydrophobicContact CZ3-CG 4.43Å; W72-M76 WeakPolarHBondContact O-CB 3.11Å; W72-M76 WeakPolarHBondContact O-CG 3.19Å; W72-M76 PolarHBondContact O-N 3.32Å |
| 73 | G | 93.5 | Very high | 82.3 | Confident | 1 Ų | 1 | 117.6 Ų | 117.6 | 1% | 0.01 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -63.8 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P68 N70 T75 M76 Q77 | P68-G73 WeakPolarHBondContact O-CA 3.33Å; N70-G73 PolarHBondContact O-N 2.86Å; N70-G73 VanDerWaalsContact O-N 3.15Å; N70-G73 PolarHBondContact OD1-N 3.14Å; G73-T75 VanDerWaalsContact C-N 3.32Å; G73-T75 PolarHBondContact O-N 3.26Å; G73-M76 PolarHBondContact O-N 2.85Å; G73-Q77 WeakPolarHBondContact O-CB 3.43Å; G73-Q77 PolarHBondContact O-N 2.92Å |
| 74 | R | 91.5 | Very high | 81.6 | Confident | 118 Ų | 118 | 116.8 Ų | 116.8 | 45% | 0.445 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -36.2 | 173.6 | -68.8 | -165 | -70.4 | -91.4 | 6.9 | 112.6 | D69 N70 W72 K78 | D69-R74 PolarHBondContact O-NH1 3.01Å; D69-R74 IonicContact OD1-CZ 2.78Å; D69-R74 IonicContact OD1-NH1 3.82Å; D69-R74 PolarHBondContact OD1-NH1 3.15Å; D69-R74 IonicContact OD2-NH1 2.74Å; N70-R74 PolarHBondContact O-N 3.33Å; W72-R74 PolarHBondContact O-N 3.42Å; R74-K78 WeakPolarHBondContact O-CD 3.35Å; R74-K78 WeakPolarHBondContact O-CG 3.38Å; R74-K78 PolarHBondContact O-N 3.25Å |
| 75 | T | 91.6 | Very high | 80.2 | Confident | 83 Ų | 83 | 114.8 Ų | 114.8 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.7 | -44.6 | 175.9 | -56.8 | 0 | 0 | 0 | 0 | 111 | R71 W72 G73 Q77 K78 S79 | R71-T75 WeakPolarHBondContact O-CB 3.4Å; R71-T75 PolarHBondContact O-N 3.35Å; R71-T75 PolarHBondContact O-OG1 3.5Å; W72-T75 PolarHBondContact O-N 2.74Å; G73-T75 VanDerWaalsContact C-N 3.32Å; G73-T75 PolarHBondContact O-N 3.26Å; T75-Q77 PolarHBondContact O-N 2.67Å; T75-K78 PolarHBondContact O-N 3.2Å; T75-S79 PolarHBondContact O-N 3.06Å; T75-S79 PolarHBondContact O-OG 3.41Å |
| 76 | M | 88.8 | Confident | 78.9 | Confident | 79 Ų | 79 | 110.3 Ų | 110.3 | 39% | 0.389 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.1 | -36.1 | 177.9 | -76.8 | -64.6 | 176.6 | 0 | 0 | 112.9 | L67 W72 G73 S79 R80 | L67-M76 HydrophobicContact CD1-CB 3.64Å; L67-M76 HydrophobicContact CD2-CB 4.02Å; L67-M76 HydrophobicContact CG-CB 4.48Å; W72-M76 HydrophobicContact CD2-CG 4.04Å; W72-M76 HydrophobicContact CE3-CG 4.34Å; W72-M76 HydrophobicContact CH2-CG 4.23Å; W72-M76 HydrophobicContact CZ2-CE 3.81Å; W72-M76 HydrophobicContact CZ2-CG 3.92Å; W72-M76 HydrophobicContact CZ3-CG 4.43Å; W72-M76 WeakPolarHBondContact O-CB 3.11Å; W72-M76 WeakPolarHBondContact O-CG 3.19Å; W72-M76 PolarHBondContact O-N 3.32Å; G73-M76 PolarHBondContact O-N 2.85Å; M76-S79 WeakPolarHBondContact CA-OG 3.48Å; M76-S79 PolarHBondContact O-N 3.32Å; M76-S79 PolarHBondContact O-OG 2.82Å; M76-R80 PolarHBondContact O-N 3.38Å |
| 77 | Q | 88.5 | Confident | 76.9 | Confident | 137 Ų | 137 | 107.5 Ų | 107.5 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.2 | -41.6 | 175.9 | -173.8 | 174.3 | -2.9 | 0 | 0 | 111.3 | L67 G73 T75 S79 R80 | L67-Q77 HydrophobicContact CD1-CB 4.01Å; G73-Q77 WeakPolarHBondContact O-CB 3.43Å; G73-Q77 PolarHBondContact O-N 2.92Å; T75-Q77 PolarHBondContact O-N 2.67Å; Q77-S79 VanDerWaalsContact C-N 3.32Å; Q77-S79 PolarHBondContact O-N 3.05Å; Q77-R80 PolarHBondContact O-N 3.47Å |
| 78 | K | 86.5 | Confident | 75.1 | Confident | 166 Ų | 166 | 114.2 Ų | 114.2 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.7 | -34.4 | 177.1 | -69.1 | 166.2 | -178.4 | -170.6 | 0 | 112.7 | R74 T75 | R74-K78 WeakPolarHBondContact O-CD 3.35Å; R74-K78 WeakPolarHBondContact O-CG 3.38Å; R74-K78 PolarHBondContact O-N 3.25Å; T75-K78 PolarHBondContact O-N 3.2Å |
| 79 | S | 80.5 | Confident | 73.2 | Confident | 51 Ų | 51 | 116.8 Ų | 116.8 | 36% | 0.357 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -79.6 | -19.4 | 178.2 | 52 | 0 | 0 | 0 | 0 | 114.1 | T75 M76 Q77 R82 | T75-S79 PolarHBondContact O-N 3.06Å; T75-S79 PolarHBondContact O-OG 3.41Å; M76-S79 WeakPolarHBondContact CA-OG 3.48Å; M76-S79 PolarHBondContact O-N 3.32Å; M76-S79 PolarHBondContact O-OG 2.82Å; Q77-S79 VanDerWaalsContact C-N 3.32Å; Q77-S79 PolarHBondContact O-N 3.05Å; S79-R82 PolarHBondContact O-N 3.09Å |
| 80 | R | 73.7 | Confident | 71.5 | Confident | 116 Ų | 116 | 115.4 Ų | 115.4 | 44% | 0.438 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.8 | -33.9 | -170.4 | -153.3 | 173.4 | -179.2 | 174.3 | -3.4 | 114.2 | Q64 M76 Q77 R82 | Q64-R80 VanDerWaalsContact CD-NH2 3.33Å; M76-R80 PolarHBondContact O-N 3.38Å; Q77-R80 PolarHBondContact O-N 3.47Å; R80-R82 PolarHBondContact O-N 3.2Å |
| 81 | G | 62.5 | Low | 69.3 | Low | 67 Ų | 67 | 116.8 Ų | 116.8 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -8.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 82 | R | 58.8 | Low | 67.6 | Low | 221 Ų | 221 | 110.9 Ų | 110.9 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -9.4 | -176.2 | -111.8 | -177.9 | 179.2 | -85.6 | 1.2 | 114.4 | S79 R80 | S79-R82 PolarHBondContact O-N 3.09Å; R80-R82 PolarHBondContact O-N 3.2Å |
| 83 | Q | 58 | Low | 65.9 | Low | 168 Ų | 168 | 107.7 Ų | 107.7 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -93.8 | -7.7 | -174.4 | -66.5 | -165.3 | 12.1 | 0 | 0 | 114.5 | ||
| 84 | T | 53.5 | Low | 64.6 | Low | 112 Ų | 112 | 114.7 Ų | 114.7 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -110.7 | 74.5 | 178.4 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 85 | A | 45.4 | Very low | 63.2 | Low | 86 Ų | 86 | 116.6 Ų | 116.6 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -170.2 | 134.8 | 147 | 0 | 0 | 0 | 0 | 0 | 106.1 | G87 | A85-G87 PolarHBondContact O-N 3.26Š|
| 86 | A | 52.2 | Low | 62 | Low | 114 Ų | 114 | 120.8 Ų | 120.8 | 94% | 0.942 | 66% | 0.663 | S | S | * | * | trans | -40.2 | 130.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 87 | G | 44.4 | Very low | 61.3 | Low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | trans | 160.6 | 89.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A85 S89 | A85-G87 PolarHBondContact O-N 3.26Å; G87-S89 PolarHBondContact O-N 3.42Å | ||
| 88 | H | 50.7 | Low | 60.4 | Low | 194 Ų | 194 | 130.9 Ų | 130.9 | 90% | 0.898 | 70% | 0.697 | S | S | * | * | trans | -46.2 | 106.8 | 160.4 | -65.1 | 156.6 | 0 | 0 | 0 | 108.8 | S90 | H88-S90 PolarHBondContact O-N 3.48Š| ||
| 89 | S | 49 | Very low | 59.9 | Low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | trans | -74.6 | 87.2 | 157.1 | 43.6 | 0 | 0 | 0 | 0 | 105.4 | G87 C91 | G87-S89 PolarHBondContact O-N 3.42Å; S89-C91 PolarHBondContact O-N 3.46Å | ||
| 90 | S | 56 | Low | 59.6 | Low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | -61.2 | 78.4 | 156.1 | 179.9 | 0 | 0 | 0 | 0 | 106.3 | H88 N92 | H88-S90 PolarHBondContact O-N 3.48Å; S90-N92 PolarHBondContact O-N 3.32Å; S90-N92 VanDerWaalsContact O-N 3.08Å | ||
| 91 | C | 47.6 | Very low | 59.6 | Low | 100 Ų | 100 | 135.2 Ų | 135.2 | 68% | 0.676 | 74% | 0.736 | S | S | * | * | trans | -71.2 | 104.5 | 172.3 | -174 | 0 | 0 | 0 | 0 | 104.8 | S89 D93 | S89-C91 PolarHBondContact O-N 3.46Å; C91-D93 PolarHBondContact O-N 3.5Å | ||
| 92 | N | 56.8 | Low | 60.2 | Low | 85 Ų | 85 | 137.2 Ų | 137.2 | 46% | 0.455 | 74% | 0.735 | S | S | . | * | trans | -61.9 | 102.4 | -176.5 | -155.3 | -6.8 | 0 | 0 | 0 | 108.8 | S90 Q94 | S90-N92 PolarHBondContact O-N 3.32Å; S90-N92 VanDerWaalsContact O-N 3.08Å; N92-Q94 PolarHBondContact ND2-OE1 3.2Å; N92-Q94 PolarHBondContact O-N 2.8Å; N92-Q94 WeakPolarHBondContact OD1-CG 3.48Å; N92-Q94 PolarHBondContact OD1-NE2 3.15Å; N92-Q94 PolarHBondContact OD1-OE1 3.15Å | ||
| 93 | D | 54.4 | Low | 60.5 | Low | 79 Ų | 79 | 136 Ų | 136 | 42% | 0.422 | 74% | 0.736 | S | S | . | * | trans | -82.9 | 35 | -167.3 | -153.6 | 24.2 | 0 | 0 | 0 | 112.8 | C91 H95 R96 | C91-D93 PolarHBondContact O-N 3.5Å; D93-H95 VanDerWaalsContact C-N 3.3Å; D93-H95 PolarHBondContact O-N 3.01Å; D93-R96 VanDerWaalsContact CG-NE 3.31Å; D93-R96 WeakPolarHBondContact OD1-CD 3.46Å; D93-R96 WeakPolarHBondContact OD1-CG 3.39Å; D93-R96 IonicContact OD1-CZ 3.17Å; D93-R96 IonicContact OD1-NE 2.65Å; D93-R96 PolarHBondContact OD1-NE 3.13Å; D93-R96 IonicContact OD1-NH1 3.71Å; D93-R96 IonicContact OD1-NH2 3.79Å; D93-R96 WeakPolarHBondContact OD2-CD 3.41Å; D93-R96 IonicContact OD2-CZ 3.13Å; D93-R96 IonicContact OD2-NE 3.2Å; D93-R96 PolarHBondContact OD2-NE 3.27Å; D93-R96 IonicContact OD2-NH1 2.79Å; D93-R96 PolarHBondContact OD2-NH1 3.29Å | ||
| 94 | Q | 65.4 | Low | 60.8 | Low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -0.3 | -172 | -71.7 | 160.8 | -11.4 | 0 | 0 | 113 | N92 | N92-Q94 PolarHBondContact ND2-OE1 3.2Å; N92-Q94 PolarHBondContact O-N 2.8Å; N92-Q94 WeakPolarHBondContact OD1-CG 3.48Å; N92-Q94 PolarHBondContact OD1-NE2 3.15Å; N92-Q94 PolarHBondContact OD1-OE1 3.15Å |
| 95 | H | 62.8 | Low | 61.1 | Low | 159 Ų | 159 | 132.2 Ų | 132.2 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -1.6 | 179.2 | -27.5 | -65.9 | 0 | 0 | 0 | 113.2 | D93 K97 | D93-H95 VanDerWaalsContact C-N 3.3Å; D93-H95 PolarHBondContact O-N 3.01Å; H95-K97 PolarHBondContact O-N 2.69Å |
| 96 | R | 67.5 | Low | 61.5 | Low | 171 Ų | 171 | 137 Ų | 137 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | trans | -72.5 | 120.7 | 176 | -74.6 | -171.4 | -167.1 | 167.8 | -7.9 | 108.7 | D93 R98 | D93-R96 VanDerWaalsContact CG-NE 3.31Å; D93-R96 WeakPolarHBondContact OD1-CD 3.46Å; D93-R96 WeakPolarHBondContact OD1-CG 3.39Å; D93-R96 IonicContact OD1-CZ 3.17Å; D93-R96 IonicContact OD1-NE 2.65Å; D93-R96 PolarHBondContact OD1-NE 3.13Å; D93-R96 IonicContact OD1-NH1 3.71Å; D93-R96 IonicContact OD1-NH2 3.79Å; D93-R96 WeakPolarHBondContact OD2-CD 3.41Å; D93-R96 IonicContact OD2-CZ 3.13Å; D93-R96 IonicContact OD2-NE 3.2Å; D93-R96 PolarHBondContact OD2-NE 3.27Å; D93-R96 IonicContact OD2-NH1 2.79Å; D93-R96 PolarHBondContact OD2-NH1 3.29Å; R96-R98 PolarHBondContact O-N 2.81Å | ||
| 97 | K | 72.6 | Confident | 61.5 | Low | 212 Ų | 212 | 136.9 Ų | 136.9 | 92% | 0.922 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -59.7 | 5.7 | 170.3 | -66.3 | -68 | -171.3 | -178.8 | 0 | 113.8 | H95 | H95-K97 PolarHBondContact O-N 2.69Š|
| 98 | R | 70.3 | Confident | 62 | Low | 216 Ų | 216 | 139.6 Ų | 139.6 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -127.8 | 118.8 | 179.3 | -62.9 | -173.9 | -179.9 | -176.8 | 0 | 108 | R96 | R96-R98 PolarHBondContact O-N 2.81Š|
| 99 | P | 76.5 | Confident | 62.3 | Low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | -65.2 | 155 | 177.7 | 27.4 | -33.5 | 0 | 0 | 0 | 111 | I101 | P99-I101 PolarHBondContact O-N 2.67Å; P99-I101 VanDerWaalsContact O-N 3.16Å | ||
| 100 | L | 74.8 | Confident | 62.5 | Low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | trans | -56.9 | 116.2 | 170.8 | -176.6 | 66.8 | 0 | 0 | 0 | 108.7 | V102 | L100-V102 HydrophobicContact CD2-CG2 4.02Å; L100-V102 HydrophobicContact CG-CG2 4.04Å; L100-V102 PolarHBondContact O-N 3.34Å | ||
| 101 | I | 72.4 | Confident | 62.9 | Low | 151 Ų | 151 | 137.4 Ų | 137.4 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | trans | -74.7 | 97.7 | 177.3 | -56.6 | 174.2 | 0 | 0 | 0 | 107.1 | P99 F103 | P99-I101 PolarHBondContact O-N 2.67Å; P99-I101 VanDerWaalsContact O-N 3.16Å; I101-F103 HydrophobicContact CG2-CD2 4.37Å | ||
| 102 | V | 75.1 | Confident | 63.3 | Low | 110 Ų | 110 | 138.7 Ų | 138.7 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | -94.9 | 116.8 | 168.5 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | L100 | L100-V102 HydrophobicContact CD2-CG2 4.02Å; L100-V102 HydrophobicContact CG-CG2 4.04Å; L100-V102 PolarHBondContact O-N 3.34Å | ||
| 103 | F | 64.6 | Low | 63.3 | Low | 196 Ų | 196 | 142 Ų | 142 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -87.7 | 102.8 | 171 | -122.9 | -92.5 | 0 | 0 | 0 | 107.5 | I101 | I101-F103 HydrophobicContact CG2-CD2 4.37Š| ||
| 104 | D | 64.5 | Low | 63.6 | Low | 121 Ų | 121 | 148.2 Ų | 148.2 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | trans | -82.4 | 116.6 | 164 | 71.5 | -27.4 | 0 | 0 | 0 | 107.5 | K106 | D104-K106 PolarHBondContact O-N 2.84Š| ||
| 105 | G | 59.8 | Low | 63.4 | Low | 79 Ų | 79 | 146.9 Ų | 146.9 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -70.2 | 42.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 106 | K | 53.8 | Low | 63.4 | Low | 186 Ų | 186 | 148.8 Ų | 148.8 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | trans | -134.2 | 78.6 | 179.4 | -63.4 | -175.1 | -177.8 | -177.8 | 0 | 110.9 | D104 | D104-K106 PolarHBondContact O-N 2.84Š| ||
| 107 | S | 52.9 | Low | 62.5 | Low | 111 Ų | 111 | 147.7 Ų | 147.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -154 | 90.7 | 160.7 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 108 | S | 54.2 | Low | 61.4 | Low | 124 Ų | 124 | 143.5 Ų | 143.5 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -91.1 | 82.2 | 159.9 | -68.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 109 | Q | 57.6 | Low | 59.8 | Low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -177.1 | 84.4 | 147.6 | -110.1 | 164.9 | -26.4 | 0 | 0 | 110.2 | G111 | Q109-G111 PolarHBondContact O-N 3.47Š| ||
| 110 | S | 53.3 | Low | 58.4 | Low | 127 Ų | 127 | 138.3 Ų | 138.3 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -70.8 | 107 | 160.9 | 176 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 111 | G | 63.8 | Low | 57 | Low | 56 Ų | 56 | 136.5 Ų | 136.5 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | trans | -70.6 | 150.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q109 L113 | Q109-G111 PolarHBondContact O-N 3.47Å; G111-L113 PolarHBondContact O-N 2.98Å | ||
| 112 | P | 56.6 | Low | 55.4 | Low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -65.9 | 124.6 | -172.2 | 25.1 | -32.7 | 0 | 0 | 0 | 112.2 | K114 | P112-K114 PolarHBondContact O-N 2.96Å; P112-K114 VanDerWaalsContact O-N 3.13Å | ||
| 113 | L | 57.4 | Low | 53.7 | Low | 156 Ų | 156 | 137.3 Ų | 137.3 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -61.6 | 108 | 172.9 | -168.8 | 79.6 | 0 | 0 | 0 | 109.5 | G111 V115 | G111-L113 PolarHBondContact O-N 2.98Å; L113-V115 HydrophobicContact CD2-CG2 4.13Å; L113-V115 HydrophobicContact CG-CG2 4.47Å; L113-V115 PolarHBondContact O-N 3.47Å | ||
| 114 | K | 59.4 | Low | 52.5 | Low | 209 Ų | 209 | 133.7 Ų | 133.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -70.1 | 90.6 | 174.4 | -79.9 | -172.2 | 153.6 | 173.9 | 0 | 110.5 | P112 | P112-K114 PolarHBondContact O-N 2.96Å; P112-K114 VanDerWaalsContact O-N 3.13Å | ||
| 115 | V | 62.6 | Low | 51.4 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 125.6 | 167.1 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | L113 K117 | L113-V115 HydrophobicContact CD2-CG2 4.13Å; L113-V115 HydrophobicContact CG-CG2 4.47Å; L113-V115 PolarHBondContact O-N 3.47Å; V115-K117 PolarHBondContact O-N 2.82Å |
| 116 | K | 61.1 | Low | 50.6 | Low | 199 Ų | 199 | 132.4 Ų | 132.4 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 119.8 | 178.3 | -168.9 | -177.7 | 178.8 | -179.2 | 0 | 110 | ||
| 117 | K | 48.8 | Very low | 50.7 | Low | 148 Ų | 148 | 130.1 Ų | 130.1 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 128.4 | 172.2 | -159.6 | -166.4 | 178.6 | -164 | 0 | 109.4 | V115 E119 | V115-K117 PolarHBondContact O-N 2.82Å; K117-E119 IonicContact NZ-OE2 2.69Å; K117-E119 PolarHBondContact NZ-OE2 3.1Å |
| 118 | P | 49.8 | Very low | 50.7 | Low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -83 | 109.6 | 150.8 | 29.2 | -26.5 | 0 | 0 | 0 | 107.9 | ||||
| 119 | E | 37.6 | Very low | 50.6 | Low | 149 Ų | 149 | 132.2 Ų | 132.2 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 124.8 | 170.5 | -170.4 | 136.8 | 153.3 | 0 | 0 | 109.4 | K117 | K117-E119 IonicContact NZ-OE2 2.69Å; K117-E119 PolarHBondContact NZ-OE2 3.1Å | ||
| 120 | G | 46.8 | Very low | 50.6 | Low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -177.8 | 60.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 121 | T | 45.8 | Very low | 51.2 | Low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -55.5 | 135.1 | 173.7 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 122 | K | 37.7 | Very low | 51.4 | Low | 206 Ų | 206 | 143.1 Ų | 143.1 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -171.7 | 120.4 | 134.2 | -101.1 | 172.6 | -167.5 | -172.6 | 0 | 111.8 | ||||
| 123 | G | 39.2 | Very low | 51.8 | Low | 73 Ų | 73 | 142.3 Ų | 142.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 84.3 | 96.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 124 | S | 39.3 | Very low | 52 | Low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | 84.7 | 119.1 | 85.5 | -169.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 125 | A | 41.7 | Very low | 52.2 | Low | 101 Ų | 101 | 136.5 Ų | 136.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 70.9 | 135.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 126 | G | 43.2 | Very low | 51.9 | Low | 72 Ų | 72 | 134.6 Ų | 134.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 121.4 | 89.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 127 | V | 56.4 | Low | 51.4 | Low | 138 Ų | 138 | 129 Ų | 129 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -52.8 | 148.8 | 150.8 | 59.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 128 | T | 52.7 | Low | 51.8 | Low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 90.6 | -175.9 | 85.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 129 | D | 52.4 | Low | 52.2 | Low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -150 | 135.2 | 137 | -160.6 | 15.1 | 0 | 0 | 0 | 111.3 | ||||
| 130 | R | 57.9 | Low | 53 | Low | 224 Ų | 224 | 128.2 Ų | 128.2 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -60.5 | 147.8 | -171.5 | -66.6 | 162.2 | 138.3 | -149.6 | -7 | 109.8 | K132 | R130-K132 PolarHBondContact O-N 3.09Å; R130-K132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | L | 64.1 | Low | 53.4 | Low | 172 Ų | 172 | 131 Ų | 131 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -34.8 | 117.7 | 175 | -60.6 | 171.2 | 0 | 0 | 0 | 110.9 | P133 | L131-P133 WeakPolarHBondContact O-CD 3.43Å; L131-P133 VanDerWaalsContact O-N 3.15Å | ||
| 132 | K | 68 | Low | 53.9 | Low | 199 Ų | 199 | 131.1 Ų | 131.1 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 122.1 | 170.2 | -85.6 | 171.4 | 176.2 | 169.7 | 0 | 107.8 | R130 | R130-K132 PolarHBondContact O-N 3.09Å; R130-K132 VanDerWaalsContact O-N 3.09Å |
| 133 | P | 66.7 | Low | 54.7 | Low | 110 Ų | 110 | 127.4 Ų | 127.4 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 152.5 | 171.6 | 25.2 | -31.6 | 0 | 0 | 0 | 109.2 | L131 | L131-P133 WeakPolarHBondContact O-CD 3.43Å; L131-P133 VanDerWaalsContact O-N 3.15Å |
| 134 | P | 60.7 | Low | 55.6 | Low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 139.1 | 178.6 | 23.4 | -33.1 | 0 | 0 | 0 | 109.7 | A136 | P134-A136 PolarHBondContact O-N 2.95Š|
| 135 | P | 63.2 | Low | 56.5 | Low | 127 Ų | 127 | 138.4 Ų | 138.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -58.4 | 113.8 | 179 | 22.8 | -31.4 | 0 | 0 | 0 | 108.9 | A137 | P135-A137 PolarHBondContact O-N 2.98Š| ||
| 136 | A | 56.2 | Low | 57.3 | Low | 80 Ų | 80 | 141.4 Ų | 141.4 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | trans | -62.9 | 103.4 | 173 | 0 | 0 | 0 | 0 | 0 | 107.8 | P134 N138 | P134-A136 PolarHBondContact O-N 2.95Å; A136-N138 VanDerWaalsContact C-N 3.26Å; A136-N138 PolarHBondContact O-N 3.47Å; A136-N138 PolarHBondContact O-ND2 2.88Å | ||
| 137 | A | 51.6 | Low | 57.2 | Low | 83 Ų | 83 | 143.4 Ų | 143.4 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | -64.6 | 93.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | P135 L139 | P135-A137 PolarHBondContact O-N 2.98Å; A137-L139 HydrophobicContact CB-CD1 3.78Å; A137-L139 PolarHBondContact O-N 2.8Å | ||
| 138 | N | 56.8 | Low | 56.8 | Low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -65.6 | 79.8 | 169.2 | -68.8 | -65.8 | 0 | 0 | 0 | 108.4 | A136 P140 | A136-N138 VanDerWaalsContact C-N 3.26Å; A136-N138 PolarHBondContact O-N 3.47Å; A136-N138 PolarHBondContact O-ND2 2.88Å; N138-P140 WeakPolarHBondContact O-CD 3.41Å | ||
| 139 | L | 59.4 | Low | 56.2 | Low | 133 Ų | 133 | 141.3 Ų | 141.3 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -71.9 | 119.5 | 158.5 | -81.4 | 74.7 | 0 | 0 | 0 | 105.8 | A137 N141 | A137-L139 HydrophobicContact CB-CD1 3.78Å; A137-L139 PolarHBondContact O-N 2.8Å; L139-N141 PolarHBondContact O-N 2.99Å | ||
| 140 | P | 53.3 | Low | 55.9 | Low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -61.7 | 118.2 | 165.1 | 26.4 | -30.4 | 0 | 0 | 0 | 107.1 | N138 P142 | N138-P140 WeakPolarHBondContact O-CD 3.41Å; P140-P142 WeakPolarHBondContact O-CD 3.41Å; P140-P142 VanDerWaalsContact O-N 3.14Å | ||
| 141 | N | 54.8 | Low | 54.8 | Low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -32.8 | 115 | 172.6 | -77.8 | -35.5 | 0 | 0 | 0 | 112 | L139 I143 | L139-N141 PolarHBondContact O-N 2.99Å; N141-I143 PolarHBondContact O-N 3.09Å | ||
| 142 | P | 56.6 | Low | 53.8 | Low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -79.3 | 27.8 | 169.6 | 34.2 | -34.9 | 0 | 0 | 0 | 111.4 | P140 R144 | P140-P142 WeakPolarHBondContact O-CD 3.41Å; P140-P142 VanDerWaalsContact O-N 3.14Å; P142-R144 PolarHBondContact O-N 3.14Å | ||
| 143 | I | 55.5 | Low | 52.1 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -78.8 | 84.3 | 169.7 | -54.5 | 177.7 | 0 | 0 | 0 | 106 | N141 K145 | N141-I143 PolarHBondContact O-N 3.09Å; I143-K145 PolarHBondContact O-N 3.27Å | ||
| 144 | R | 58 | Low | 50.8 | Low | 229 Ų | 229 | 127.8 Ų | 127.8 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -55.8 | 99.7 | 167.3 | -75.8 | -177.9 | -175.7 | 150.6 | 0.8 | 108.4 | P142 L146 | P142-R144 PolarHBondContact O-N 3.14Å; R144-L146 PolarHBondContact O-N 3.09Å | ||
| 145 | K | 58.3 | Low | 49.7 | Very low | 193 Ų | 193 | 127.9 Ų | 127.9 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -72.3 | 109.2 | 166.5 | -66.7 | 176.4 | 64 | 179.7 | 0 | 107.1 | I143 | I143-K145 PolarHBondContact O-N 3.27Š| ||
| 146 | L | 56.9 | Low | 48.3 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -82.2 | 114.2 | 168 | -63.9 | 177.4 | 0 | 0 | 0 | 107.8 | R144 G148 | R144-L146 PolarHBondContact O-N 3.09Å; L146-G148 PolarHBondContact O-N 3.42Å | ||
| 147 | S | 42.4 | Very low | 47.7 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -59.1 | 129.7 | 171.5 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 148 | G | 47.8 | Very low | 46.9 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -71.5 | 129.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L146 | L146-G148 PolarHBondContact O-N 3.42Š| ||
| 149 | T | 39.9 | Very low | 45.9 | Very low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -100.9 | 110.4 | 161.1 | 53.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 150 | S | 45.3 | Very low | 44.8 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -66 | 133.2 | 167.1 | 38 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 151 | S | 36.3 | Very low | 43.8 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -163.6 | 118.2 | 143.3 | -75.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 152 | S | 41.6 | Very low | 43 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -48.3 | 148.6 | 167.8 | 46.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 153 | S | 32.6 | Very low | 42 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 171.4 | 159.4 | 120.7 | 40.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 154 | S | 39.3 | Very low | 41 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -92.4 | 174.3 | -152.6 | -46.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 155 | S | 37.1 | Very low | 40.1 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | 69.6 | 126.4 | 146.3 | 65.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 156 | S | 35.6 | Very low | 39.5 | Very low | 92 Ų | 92 | 131 Ų | 131 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | 151.4 | 126.9 | 101.7 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 157 | T | 42.9 | Very low | 38.5 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -54.5 | 133.3 | 165.2 | 38.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 158 | H | 34 | Very low | 38.8 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -139.3 | 129.6 | 151.6 | -79.9 | -80.1 | 0 | 0 | 0 | 112 | ||||
| 159 | R | 35.6 | Very low | 38 | Very low | 230 Ų | 230 | 142.1 Ų | 142.1 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -94.8 | 160 | 179.4 | -86.3 | -107.4 | 178.6 | -156.7 | -0.1 | 110.5 | ||||
| 160 | S | 36.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 74.6 | 145.8 | 156.6 | -52.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 161 | S | 33.8 | Very low | 37.5 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | cis | -164.3 | 134.4 | 26.3 | 39.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 162 | E | 36.5 | Very low | 37.3 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | 63.6 | 117.1 | 103.5 | -158.5 | 150.1 | -167 | 0 | 0 | 116.1 | |||||
| 163 | T | 35.9 | Very low | 37.6 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | 166.3 | 136.7 | 128.5 | 40.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 164 | A | 35.4 | Very low | 37.7 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 67.6 | 102.6 | 139 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 165 | N | 38.2 | Very low | 37.9 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | 37.6 | 117.8 | 121.4 | -67.5 | -65.3 | 0 | 0 | 0 | 122.8 | |||||
| 166 | L | 45.3 | Very low | 38.3 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 32 | 109.8 | 131.6 | -59.9 | 172.3 | 0 | 0 | 0 | 120.6 | ||||
| 167 | K | 37.4 | Very low | 38.5 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -153.9 | 128.4 | 141.8 | -155.4 | 91.5 | 166.1 | -169.7 | 0 | 111.2 | ||||
| 168 | R | 48.3 | Very low | 38.7 | Very low | 227 Ų | 227 | 143.8 Ų | 143.8 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -78.4 | 132.8 | 173.4 | 179.2 | -168.2 | -60.5 | 154.8 | -0.2 | 108.4 | ||||
| 169 | D | 31.2 | Very low | 39.5 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -171.3 | 158.7 | 144.1 | -91.6 | -41.9 | 0 | 0 | 0 | 112.2 | ||||
| 170 | A | 37.2 | Very low | 40 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -83.9 | 148.5 | -154.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 171 | G | 36.9 | Very low | 41.2 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 84.4 | 104 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 172 | D | 33.1 | Very low | 42.7 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | -174.8 | 148.2 | 126.5 | -166.8 | 17.5 | 0 | 0 | 0 | 110.2 | |||||
| 173 | S | 46.6 | Very low | 44.5 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -40.4 | 133.3 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 174 | G | 36.1 | Very low | 46.5 | Very low | 66 Ų | 66 | 144.9 Ų | 144.9 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | -170.6 | 98.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L176 | G174-L176 PolarHBondContact O-N 3.06Å; G174-L176 VanDerWaalsContact O-N 3.09Å | ||
| 175 | A | 43 | Very low | 48.3 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -56.7 | 107.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K177 | A175-K177 PolarHBondContact O-N 3.23Å; A175-K177 VanDerWaalsContact O-N 3.14Å | ||
| 176 | L | 45.7 | Very low | 50.1 | Low | 171 Ų | 171 | 148.2 Ų | 148.2 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -79.6 | 96 | 170.4 | -64.7 | -179.8 | 0 | 0 | 0 | 109.4 | G174 S178 | G174-L176 PolarHBondContact O-N 3.06Å; G174-L176 VanDerWaalsContact O-N 3.09Å; L176-S178 PolarHBondContact O-N 2.96Å | ||
| 177 | K | 39.7 | Very low | 51.5 | Low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -60.4 | 114.7 | 168.1 | -64.1 | 173 | 179.2 | 170.3 | 0 | 108.5 | A175 A179 | A175-K177 PolarHBondContact O-N 3.23Å; A175-K177 VanDerWaalsContact O-N 3.14Å; K177-A179 PolarHBondContact O-N 3.34Å | ||
| 178 | S | 46.3 | Very low | 53.4 | Low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -61.7 | 129.1 | 167.7 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | L176 E180 | L176-S178 PolarHBondContact O-N 2.96Å; S178-E180 PolarHBondContact O-N 3.26Å | ||
| 179 | A | 51.2 | Low | 55.1 | Low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -65 | 101.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | K177 V181 | K177-A179 PolarHBondContact O-N 3.34Å; A179-V181 PolarHBondContact O-N 3.06Å; A179-V181 VanDerWaalsContact O-N 3.09Å | ||
| 180 | E | 45 | Very low | 57 | Low | 179 Ų | 179 | 143.4 Ų | 143.4 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -75 | 95.5 | 175.4 | -173.4 | 164.6 | -173.1 | 0 | 0 | 109.5 | S178 K182 | S178-E180 PolarHBondContact O-N 3.26Å; E180-K182 PolarHBondContact O-N 2.89Å | ||
| 181 | V | 62.1 | Low | 58.4 | Low | 118 Ų | 118 | 147.9 Ų | 147.9 | 72% | 0.715 | 82% | 0.815 | S | S | * | * | trans | -70 | 100.3 | 168.7 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | A179 K183 | A179-V181 PolarHBondContact O-N 3.06Å; A179-V181 VanDerWaalsContact O-N 3.09Å; V181-K183 PolarHBondContact O-N 3.02Å | ||
| 182 | K | 65.1 | Low | 59.4 | Low | 193 Ų | 193 | 151.2 Ų | 151.2 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -60.6 | 98.3 | 175.4 | -66.9 | 178.2 | 96.8 | 169.4 | 0 | 109.3 | E180 K184 | E180-K182 PolarHBondContact O-N 2.89Å; K182-K184 PolarHBondContact O-N 3.33Å | ||
| 183 | K | 75.1 | Confident | 60.8 | Low | 189 Ų | 189 | 151.1 Ų | 151.1 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -70.1 | 114.8 | 174.1 | -69.4 | 179.5 | 175.4 | 176 | 0 | 108.8 | V181 I185 | V181-K183 PolarHBondContact O-N 3.02Å; K183-I185 PolarHBondContact O-N 2.88Å | ||
| 184 | K | 76.8 | Confident | 61.6 | Low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -62.1 | 113.7 | 169.2 | -179.3 | 100.4 | 172.2 | -170.8 | 0 | 108 | K182 Q186 | K182-K184 PolarHBondContact O-N 3.33Å; K184-Q186 PolarHBondContact O-N 3.47Å | ||
| 185 | I | 74.9 | Confident | 63.1 | Low | 139 Ų | 139 | 158.8 Ų | 158.8 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 118.3 | 172.3 | -59.2 | 173.2 | 0 | 0 | 0 | 106.9 | K183 | K183-I185 PolarHBondContact O-N 2.88Š|
| 186 | Q | 75.9 | Confident | 64.4 | Low | 168 Ų | 168 | 162.8 Ų | 162.8 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 129.3 | 171.6 | -66.3 | -170.9 | 22.4 | 0 | 0 | 108.7 | K184 | K184-Q186 PolarHBondContact O-N 3.47Š|
| 187 | H | 74.3 | Confident | 65.6 | Low | 178 Ų | 178 | 162.2 Ų | 162.2 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 118.2 | 171.7 | -72.3 | -97.8 | 0 | 0 | 0 | 108.2 | ||
| 188 | I | 78.1 | Confident | 67.5 | Low | 129 Ų | 129 | 159.6 Ų | 159.6 | 66% | 0.662 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 120.7 | 174.9 | -58.9 | 168 | 0 | 0 | 0 | 107.2 | W190 | I188-W190 HydrophobicContact CG2-CZ2 4.41Š|
| 189 | T | 83.4 | Confident | 69.1 | Low | 132 Ų | 132 | 163 Ų | 163 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 126.6 | 170.6 | -50.6 | 0 | 0 | 0 | 0 | 107.9 | ||
| 190 | W | 69.7 | Low | 70.6 | Confident | 214 Ų | 214 | 168.5 Ų | 168.5 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88 | 146.7 | 175.4 | -66.4 | 102.7 | 0 | 0 | 0 | 110.9 | I188 | I188-W190 HydrophobicContact CG2-CZ2 4.41Š|
| 191 | P | 66.6 | Low | 72.9 | Confident | 191 Ų | 191 | 167.5 Ų | 167.5 | 100% | 1.24 | 82% | 0.823 | S | S | * | * | trans | -72.7 | 0 | 174.8 | 31.8 | -34.7 | 0 | 0 | 0 | 113.4 |
Retrieved 191 of 191 residues in 144.7 ms
(Link to these results)