| 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 | 45.6 | Very low | 54 | Low | 249 Ų | 249 | 123.8 Ų | 123.8 | 100% | 1.227 | 67% | 0.667 | S | S | * | * | 0 | 112.5 | 0 | -65.6 | 171.7 | 179.5 | 0 | 0 | 108.7 | |||||
| 2 | A | 53.9 | Low | 55.2 | Low | 106 Ų | 106 | 129.4 Ų | 129.4 | 88% | 0.876 | 67% | 0.672 | S | S | * | * | trans | 179.6 | 109.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3 | A | 50.6 | Low | 56 | Low | 103 Ų | 103 | 127.2 Ų | 127.2 | 85% | 0.851 | 66% | 0.661 | S | S | * | * | trans | 176.7 | 68.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 4 | H | 52.6 | Low | 57.1 | Low | 153 Ų | 153 | 124.2 Ų | 124.2 | 71% | 0.708 | 65% | 0.646 | S | S | * | * | trans | -157.1 | 84.7 | 163.3 | -161.9 | -97.9 | 0 | 0 | 0 | 112.8 | ||||
| 5 | R | 54.5 | Low | 57.9 | Low | 240 Ų | 240 | 125.2 Ų | 125.2 | 91% | 0.906 | 64% | 0.639 | S | S | * | * | trans | -142.1 | 7.5 | -176.5 | -150.2 | 175.3 | 177.3 | -175.1 | -2 | 115.1 | ||||
| 6 | N | 57.9 | Low | 59 | Low | 118 Ų | 118 | 123.6 Ų | 123.6 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | trans | -106.9 | -18.3 | -171.6 | 50.1 | -15.6 | 0 | 0 | 0 | 114.6 | T8 Q9 | N6-T8 VanDerWaalsContact C-N 3.26Å; N6-T8 PolarHBondContact O-N 3.14Å; N6-T8 VanDerWaalsContact O-N 3.17Å; N6-Q9 PolarHBondContact O-N 3.2Å | ||
| 7 | S | 55.9 | Low | 59.9 | Low | 36 Ų | 36 | 124.1 Ų | 124.1 | 25% | 0.252 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -55.2 | -33.5 | -178.5 | 168.9 | 0 | 0 | 0 | 0 | 114.6 | Q9 | S7-Q9 PolarHBondContact O-N 2.9Å |
| 8 | T | 54 | Low | 60.8 | Low | 98 Ų | 98 | 120.3 Ų | 120.3 | 60% | 0.601 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.9 | -24.7 | -175.4 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | N6 | N6-T8 VanDerWaalsContact C-N 3.26Å; N6-T8 PolarHBondContact O-N 3.14Å; N6-T8 VanDerWaalsContact O-N 3.17Å |
| 9 | Q | 55.8 | Low | 61.7 | Low | 135 Ų | 135 | 120 Ų | 120 | 63% | 0.631 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.5 | -39.4 | -177 | -169.6 | 165.5 | -8.2 | 0 | 0 | 112 | N6 S7 W11 R12 N13 | N6-Q9 PolarHBondContact O-N 3.2Å; S7-Q9 PolarHBondContact O-N 2.9Å; Q9-W11 PolarHBondContact O-N 3.1Å; Q9-R12 PolarHBondContact O-N 3.05Å; Q9-N13 PolarHBondContact O-N 3.01Å; Q9-N13 VanDerWaalsContact O-N 3.13Å; Q9-N13 PolarHBondContact O-OD1 2.79Å |
| 10 | S | 56.3 | Low | 62.6 | Low | 59 Ų | 59 | 119.4 Ų | 119.4 | 41% | 0.413 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -49.9 | -39.6 | 170.2 | 158.6 | 0 | 0 | 0 | 0 | 112.1 | N13 I14 | S10-N13 WeakPolarHBondContact O-CB 3.4Å; S10-N13 PolarHBondContact O-N 3.38Å; S10-I14 WeakPolarHBondContact O-CG1 3.41Å; S10-I14 PolarHBondContact O-N 2.84Å |
| 11 | W | 57.3 | Low | 63.4 | Low | 65 Ų | 65 | 117.5 Ų | 117.5 | 25% | 0.246 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -70.7 | -39.9 | -176.7 | -77 | 35.1 | 0 | 0 | 0 | 112.4 | Q9 N13 I14 Y15 R268 | Q9-W11 PolarHBondContact O-N 3.1Å; W11-N13 VanDerWaalsContact C-N 3.3Å; W11-N13 PolarHBondContact O-N 3.44Å; W11-I14 PolarHBondContact O-N 3.39Å; W11-Y15 VanDerWaalsContact O-CD2 3.25Å; W11-Y15 WeakPolarHBondContact O-CD2 3.39Å; W11-Y15 PolarHBondContact O-N 3.4Å; W11-R268 HydrophobicContact CH2-CB 3.37Å; W11-R268 HydrophobicContact CH2-CG 3.53Å; W11-R268 HydrophobicContact CZ2-CB 4.29Å; W11-R268 HydrophobicContact CZ2-CG 4.13Å; W11-R268 HydrophobicContact CZ3-CB 3.93Å; W11-R268 HydrophobicContact CZ3-CG 4.04Å |
| 12 | R | 68.3 | Low | 65.1 | Low | 191 Ų | 191 | 112.7 Ų | 112.7 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.1 | -42.3 | 171.8 | -61.8 | -178.7 | 74 | -169 | 3.4 | 110.6 | Q9 I14 Y15 V16 | Q9-R12 PolarHBondContact O-N 3.05Å; R12-I14 VanDerWaalsContact C-N 3.33Å; R12-I14 PolarHBondContact O-N 3.29Å; R12-Y15 PolarHBondContact O-N 2.73Å; R12-V16 WeakPolarHBondContact O-CB 3.38Å; R12-V16 VanDerWaalsContact O-CG2 3.31Å; R12-V16 WeakPolarHBondContact O-CG2 3.5Å; R12-V16 PolarHBondContact O-N 3.16Å |
| 13 | N | 65 | Low | 66.2 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -37.6 | 176.8 | -60.7 | 2.2 | 0 | 0 | 0 | 112.1 | Q9 S10 W11 V16 F17 | Q9-N13 PolarHBondContact O-N 3.01Å; Q9-N13 VanDerWaalsContact O-N 3.13Å; Q9-N13 PolarHBondContact O-OD1 2.79Å; S10-N13 WeakPolarHBondContact O-CB 3.4Å; S10-N13 PolarHBondContact O-N 3.38Å; W11-N13 VanDerWaalsContact C-N 3.3Å; W11-N13 PolarHBondContact O-N 3.44Å; N13-V16 PolarHBondContact O-N 2.74Å; N13-F17 VanDerWaalsContact O-CB 3.28Å; N13-F17 WeakPolarHBondContact O-CB 3.29Å; N13-F17 PolarHBondContact O-N 2.87Å |
| 14 | I | 72.2 | Confident | 67.6 | Low | 86 Ų | 86 | 110.9 Ų | 110.9 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 176.1 | -71.9 | 163.8 | 0 | 0 | 0 | 111.7 | S10 W11 R12 F17 C18 | S10-I14 WeakPolarHBondContact O-CG1 3.41Å; S10-I14 PolarHBondContact O-N 2.84Å; W11-I14 PolarHBondContact O-N 3.39Å; R12-I14 VanDerWaalsContact C-N 3.33Å; R12-I14 PolarHBondContact O-N 3.29Å; I14-F17 PolarHBondContact O-N 3.05Å; I14-C18 WeakPolarHBondContact O-CB 3.31Å; I14-C18 PolarHBondContact O-N 3.29Å |
| 15 | Y | 68.4 | Low | 68.6 | Low | 139 Ų | 139 | 109 Ų | 109 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 173.4 | -80.6 | -70.3 | 0 | 0 | 0 | 112.1 | W11 R12 L19 | W11-Y15 VanDerWaalsContact O-CD2 3.25Å; W11-Y15 WeakPolarHBondContact O-CD2 3.39Å; W11-Y15 PolarHBondContact O-N 3.4Å; R12-Y15 PolarHBondContact O-N 2.73Å; Y15-L19 WeakPolarHBondContact O-CB 3.46Å; Y15-L19 PolarHBondContact O-N 3.17Å |
| 16 | V | 75.4 | Confident | 69.8 | Low | 99 Ų | 99 | 104.1 Ų | 104.1 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 171.9 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | R12 N13 L19 F20 | R12-V16 WeakPolarHBondContact O-CB 3.38Å; R12-V16 VanDerWaalsContact O-CG2 3.31Å; R12-V16 WeakPolarHBondContact O-CG2 3.5Å; R12-V16 PolarHBondContact O-N 3.16Å; N13-V16 PolarHBondContact O-N 2.74Å; V16-L19 PolarHBondContact O-N 2.92Å; V16-F20 WeakPolarHBondContact O-CB 3.46Å; V16-F20 PolarHBondContact O-N 2.99Å |
| 17 | F | 74 | Confident | 70.4 | Confident | 132 Ų | 132 | 104 Ų | 104 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -41.1 | 179.2 | -167 | -107.8 | 0 | 0 | 0 | 112.6 | N13 I14 F20 I21 | N13-F17 VanDerWaalsContact O-CB 3.28Å; N13-F17 WeakPolarHBondContact O-CB 3.29Å; N13-F17 PolarHBondContact O-N 2.87Å; I14-F17 PolarHBondContact O-N 3.05Å; F17-F20 PolarHBondContact O-N 3.33Å; F17-I21 HydrophobicContact CD1-CD1 3.73Å; F17-I21 HydrophobicContact CE1-CD1 3.55Å; F17-I21 HydrophobicContact CE1-CG1 4.46Å; F17-I21 HydrophobicContact CZ-CD1 4.21Å; F17-I21 WeakPolarHBondContact O-CG1 3.46Å; F17-I21 PolarHBondContact O-N 3.13Å |
| 18 | C | 76.1 | Confident | 71.1 | Confident | 57 Ų | 57 | 107.1 Ų | 107.1 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 171.3 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | I14 F20 I21 F22 | I14-C18 WeakPolarHBondContact O-CB 3.31Å; I14-C18 PolarHBondContact O-N 3.29Å; C18-F20 VanDerWaalsContact C-N 3.29Å; C18-F20 PolarHBondContact O-N 3.44Å; C18-I21 PolarHBondContact O-N 3.17Å; C18-F22 VanDerWaalsContact O-CD2 3.23Å; C18-F22 WeakPolarHBondContact O-CD2 3.31Å; C18-F22 PolarHBondContact O-N 2.73Å |
| 19 | L | 78.6 | Confident | 71.9 | Confident | 114 Ų | 114 | 106.2 Ų | 106.2 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 175.9 | -174 | 146.8 | 0 | 0 | 0 | 111.2 | Y15 V16 F22 L23 | Y15-L19 WeakPolarHBondContact O-CB 3.46Å; Y15-L19 PolarHBondContact O-N 3.17Å; V16-L19 PolarHBondContact O-N 2.92Å; L19-F22 PolarHBondContact O-N 3.04Å; L19-L23 WeakPolarHBondContact O-CB 2.88Å; L19-L23 PolarHBondContact O-N 2.89Å |
| 20 | F | 79 | Confident | 72 | Confident | 107 Ų | 107 | 102.9 Ų | 102.9 | 47% | 0.469 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 174.1 | -174.1 | -123.6 | 0 | 0 | 0 | 112.3 | V16 F17 C18 L23 Q24 | V16-F20 WeakPolarHBondContact O-CB 3.46Å; V16-F20 PolarHBondContact O-N 2.99Å; F17-F20 PolarHBondContact O-N 3.33Å; C18-F20 VanDerWaalsContact C-N 3.29Å; C18-F20 PolarHBondContact O-N 3.44Å; F20-L23 PolarHBondContact O-N 3.47Å; F20-Q24 VanDerWaalsContact CZ-NE2 3.29Å; F20-Q24 VanDerWaalsContact O-CB 3.3Å; F20-Q24 WeakPolarHBondContact O-CB 3.4Å; F20-Q24 VanDerWaalsContact O-CG 3.29Å; F20-Q24 WeakPolarHBondContact O-CG 3.35Å; F20-Q24 PolarHBondContact O-N 3.28Å |
| 21 | I | 80.4 | Confident | 72 | Confident | 80 Ų | 80 | 106.3 Ų | 106.3 | 41% | 0.41 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 171.6 | -71.7 | 164.9 | 0 | 0 | 0 | 111 | F17 C18 L23 Q24 L25 | F17-I21 HydrophobicContact CD1-CD1 3.73Å; F17-I21 HydrophobicContact CE1-CD1 3.55Å; F17-I21 HydrophobicContact CE1-CG1 4.46Å; F17-I21 HydrophobicContact CZ-CD1 4.21Å; F17-I21 WeakPolarHBondContact O-CG1 3.46Å; F17-I21 PolarHBondContact O-N 3.13Å; C18-I21 PolarHBondContact O-N 3.17Å; I21-L23 VanDerWaalsContact C-N 3.35Å; I21-Q24 PolarHBondContact O-N 2.98Å; I21-L25 WeakPolarHBondContact O-CB 3.06Å; I21-L25 PolarHBondContact O-N 2.94Å |
| 22 | F | 80.6 | Confident | 71.7 | Confident | 149 Ų | 149 | 107.6 Ų | 107.6 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -42 | 175.3 | -83.8 | -67.7 | 0 | 0 | 0 | 111.7 | C18 L19 L25 W26 | C18-F22 VanDerWaalsContact O-CD2 3.23Å; C18-F22 WeakPolarHBondContact O-CD2 3.31Å; C18-F22 PolarHBondContact O-N 2.73Å; L19-F22 PolarHBondContact O-N 3.04Å; F22-L25 PolarHBondContact O-N 3.24Å; F22-W26 VanDerWaalsContact O-CB 3.31Å; F22-W26 WeakPolarHBondContact O-CB 3.44Å; F22-W26 PolarHBondContact O-N 3.2Å |
| 23 | L | 78.2 | Confident | 70.8 | Confident | 81 Ų | 81 | 103 Ų | 103 | 42% | 0.424 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.3 | -34.7 | 178.1 | -165.1 | 68.7 | 0 | 0 | 0 | 111.7 | L19 F20 I21 F27 | L19-L23 WeakPolarHBondContact O-CB 2.88Å; L19-L23 PolarHBondContact O-N 2.89Å; F20-L23 PolarHBondContact O-N 3.47Å; I21-L23 VanDerWaalsContact C-N 3.35Å; L23-F27 HydrophobicContact CD1-CD2 4.45Å; L23-F27 HydrophobicContact CD1-CE2 4.34Å; L23-F27 HydrophobicContact CG-CD2 4.04Å; L23-F27 HydrophobicContact CG-CE2 4.13Å; L23-F27 WeakPolarHBondContact O-CB 3.45Å; L23-F27 WeakPolarHBondContact O-CD2 3.25Å; L23-F27 PolarHBondContact O-N 3.08Å |
| 24 | Q | 78.9 | Confident | 69.8 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 168.6 | -82.2 | -174.9 | 14.1 | 0 | 0 | 111.4 | F20 I21 W26 F27 N28 | F20-Q24 VanDerWaalsContact CZ-NE2 3.29Å; F20-Q24 VanDerWaalsContact O-CB 3.3Å; F20-Q24 WeakPolarHBondContact O-CB 3.4Å; F20-Q24 VanDerWaalsContact O-CG 3.29Å; F20-Q24 WeakPolarHBondContact O-CG 3.35Å; F20-Q24 PolarHBondContact O-N 3.28Å; I21-Q24 PolarHBondContact O-N 2.98Å; Q24-W26 VanDerWaalsContact C-N 3.28Å; Q24-W26 PolarHBondContact O-N 2.76Å; Q24-F27 PolarHBondContact O-N 2.77Å; Q24-N28 WeakPolarHBondContact O-CB 3.42Å; Q24-N28 PolarHBondContact O-N 3.24Å; Q24-N28 PolarHBondContact O-ND2 3.18Å |
| 25 | L | 74.9 | Confident | 68.6 | Low | 112 Ų | 112 | 105.3 Ų | 105.3 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.9 | -39.7 | 179.4 | -165.2 | 67.7 | 0 | 0 | 0 | 110.6 | I21 F22 N28 V29 | I21-L25 WeakPolarHBondContact O-CB 3.06Å; I21-L25 PolarHBondContact O-N 2.94Å; F22-L25 PolarHBondContact O-N 3.24Å; L25-N28 PolarHBondContact O-N 2.87Å; L25-V29 WeakPolarHBondContact O-CB 3.47Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.17Å; L25-V29 PolarHBondContact O-N 2.59Å |
| 26 | W | 79.2 | Confident | 68 | Low | 139 Ų | 139 | 105.2 Ų | 105.2 | 53% | 0.527 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.4 | -53.6 | 171.4 | -164.1 | -73.2 | 0 | 0 | 0 | 112.1 | F22 Q24 N28 V29 C30 I242 | F22-W26 VanDerWaalsContact O-CB 3.31Å; F22-W26 WeakPolarHBondContact O-CB 3.44Å; F22-W26 PolarHBondContact O-N 3.2Å; Q24-W26 VanDerWaalsContact C-N 3.28Å; Q24-W26 PolarHBondContact O-N 2.76Å; W26-N28 VanDerWaalsContact C-N 3.32Å; W26-N28 PolarHBondContact O-N 3.37Å; W26-V29 PolarHBondContact O-N 2.79Å; W26-V29 VanDerWaalsContact O-N 3.14Å; W26-C30 PolarHBondContact O-N 3.28Å; W26-C30 PolarHBondContact O-SG 2.84Å; W26-C30 VanDerWaalsContact O-SG 3.35Å; W26-I242 HydrophobicContact CH2-CD1 3.33Å; W26-I242 HydrophobicContact CH2-CG1 3.6Å; W26-I242 HydrophobicContact CH2-CG2 4.3Å; W26-I242 HydrophobicContact CZ2-CD1 3.6Å; W26-I242 HydrophobicContact CZ2-CG1 4.36Å; W26-I242 HydrophobicContact CZ3-CD1 4.36Å; W26-I242 HydrophobicContact CZ3-CG1 4.24Å |
| 27 | F | 70.5 | Confident | 66.4 | Low | 116 Ų | 116 | 109 Ų | 109 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.4 | -39.2 | 177.5 | -95.5 | -71.6 | 0 | 0 | 0 | 112.4 | L23 Q24 C30 L31 | L23-F27 HydrophobicContact CD1-CD2 4.45Å; L23-F27 HydrophobicContact CD1-CE2 4.34Å; L23-F27 HydrophobicContact CG-CD2 4.04Å; L23-F27 HydrophobicContact CG-CE2 4.13Å; L23-F27 WeakPolarHBondContact O-CB 3.45Å; L23-F27 WeakPolarHBondContact O-CD2 3.25Å; L23-F27 PolarHBondContact O-N 3.08Å; Q24-F27 PolarHBondContact O-N 2.77Å; F27-C30 PolarHBondContact O-N 3.31Å; F27-L31 HydrophobicContact CB-CD1 4.34Å; F27-L31 HydrophobicContact CD1-CD1 4.03Å; F27-L31 HydrophobicContact CD1-CG 4.4Å; F27-L31 WeakPolarHBondContact O-CB 3.22Å; F27-L31 WeakPolarHBondContact O-CG 3.46Å; F27-L31 PolarHBondContact O-N 2.78Å |
| 28 | N | 69.3 | Low | 65.3 | Low | 100 Ų | 100 | 108 Ų | 108 | 54% | 0.535 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.4 | -34.5 | 176.7 | -79.5 | -89 | 0 | 0 | 0 | 111.8 | Q24 L25 W26 S32 | Q24-N28 WeakPolarHBondContact O-CB 3.42Å; Q24-N28 PolarHBondContact O-N 3.24Å; Q24-N28 PolarHBondContact O-ND2 3.18Å; L25-N28 PolarHBondContact O-N 2.87Å; W26-N28 VanDerWaalsContact C-N 3.32Å; W26-N28 PolarHBondContact O-N 3.37Å; N28-S32 VanDerWaalsContact O-CB 3.29Å; N28-S32 WeakPolarHBondContact O-CB 3.27Å; N28-S32 PolarHBondContact O-N 2.85Å; N28-S32 VanDerWaalsContact O-N 3.13Å; N28-S32 PolarHBondContact O-OG 3.04Å |
| 29 | V | 72.4 | Confident | 63.7 | Low | 79 Ų | 79 | 110.2 Ų | 110.2 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.5 | -45 | 172.8 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | L25 W26 S32 F238 | L25-V29 WeakPolarHBondContact O-CB 3.47Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.17Å; L25-V29 PolarHBondContact O-N 2.59Å; W26-V29 PolarHBondContact O-N 2.79Å; W26-V29 VanDerWaalsContact O-N 3.14Å; V29-S32 PolarHBondContact O-N 3.1Å; V29-F238 HydrophobicContact CG1-CE1 4.36Å; V29-F238 HydrophobicContact CG1-CZ 4.38Å |
| 30 | C | 58.1 | Low | 62.1 | Low | 65 Ų | 65 | 111.9 Ų | 111.9 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.5 | -39.7 | 177.6 | -63 | 0 | 0 | 0 | 0 | 113.2 | W26 F27 S32 | W26-C30 PolarHBondContact O-N 3.28Å; W26-C30 PolarHBondContact O-SG 2.84Å; W26-C30 VanDerWaalsContact O-SG 3.35Å; F27-C30 PolarHBondContact O-N 3.31Å; C30-S32 VanDerWaalsContact C-N 3.27Å; C30-S32 PolarHBondContact O-N 3.46Å |
| 31 | L | 55.5 | Low | 60.3 | Low | 131 Ų | 131 | 114.4 Ų | 114.4 | 69% | 0.686 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -3.8 | -180 | -65.8 | 169.8 | 0 | 0 | 0 | 113.6 | F27 V33 | F27-L31 HydrophobicContact CB-CD1 4.34Å; F27-L31 HydrophobicContact CD1-CD1 4.03Å; F27-L31 HydrophobicContact CD1-CG 4.4Å; F27-L31 WeakPolarHBondContact O-CB 3.22Å; F27-L31 WeakPolarHBondContact O-CG 3.46Å; F27-L31 PolarHBondContact O-N 2.78Å; L31-V33 PolarHBondContact O-N 3.36Å |
| 32 | S | 50.9 | Low | 58.3 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 2.3 | 172 | -70.1 | 0 | 0 | 0 | 0 | 113.2 | N28 V29 C30 P34 | N28-S32 VanDerWaalsContact O-CB 3.29Å; N28-S32 WeakPolarHBondContact O-CB 3.27Å; N28-S32 PolarHBondContact O-N 2.85Å; N28-S32 VanDerWaalsContact O-N 3.13Å; N28-S32 PolarHBondContact O-OG 3.04Å; V29-S32 PolarHBondContact O-N 3.1Å; C30-S32 VanDerWaalsContact C-N 3.27Å; C30-S32 PolarHBondContact O-N 3.46Å; S32-P34 WeakPolarHBondContact O-CD 3.16Å |
| 33 | V | 48.7 | Very low | 56.1 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 58% | 0.582 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -74.3 | 113.4 | 165 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | L31 V35 | L31-V33 PolarHBondContact O-N 3.36Å; V33-V35 PolarHBondContact O-N 3.21Å; V33-V35 VanDerWaalsContact O-N 3.12Å |
| 34 | P | 44.5 | Very low | 54.5 | Low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 66% | 0.663 | S | S | * | * | trans | -75.1 | 107.5 | -176.6 | 30 | -33.4 | 0 | 0 | 0 | 110.6 | S32 N36 | S32-P34 WeakPolarHBondContact O-CD 3.16Å; P34-N36 PolarHBondContact O-N 3.4Å | ||
| 35 | V | 47.2 | Very low | 52.5 | Low | 119 Ų | 119 | 127.8 Ų | 127.8 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | trans | -70 | 80.1 | 170 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | V33 K37 | V33-V35 PolarHBondContact O-N 3.21Å; V33-V35 VanDerWaalsContact O-N 3.12Å; V35-K37 VanDerWaalsContact C-N 3.28Å; V35-K37 HydrophobicContact CG1-CB 4.24Å; V35-K37 HydrophobicContact CG1-CD 4.04Å; V35-K37 HydrophobicContact CG1-CG 3.93Å; V35-K37 PolarHBondContact O-N 3.36Å; V35-K37 VanDerWaalsContact O-N 3.16Å | ||
| 36 | N | 56.3 | Low | 50.5 | Low | 137 Ų | 137 | 125.4 Ų | 125.4 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | trans | -85.4 | 69.7 | 169.7 | -169.6 | 28 | 0 | 0 | 0 | 110.2 | P34 T38 | P34-N36 PolarHBondContact O-N 3.4Å; N36-T38 PolarHBondContact O-N 3Å | ||
| 37 | K | 40.6 | Very low | 48.4 | Very low | 179 Ų | 179 | 127 Ų | 127 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | trans | -85.9 | 81.9 | 172.9 | -80.7 | -176.6 | 171 | 177.4 | 0 | 110.1 | V35 S39 | V35-K37 VanDerWaalsContact C-N 3.28Å; V35-K37 HydrophobicContact CG1-CB 4.24Å; V35-K37 HydrophobicContact CG1-CD 4.04Å; V35-K37 HydrophobicContact CG1-CG 3.93Å; V35-K37 PolarHBondContact O-N 3.36Å; V35-K37 VanDerWaalsContact O-N 3.16Å; K37-S39 PolarHBondContact O-N 3.31Å | ||
| 38 | T | 51.3 | Low | 47 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | trans | -63.8 | 101.3 | 165.9 | -42.1 | 0 | 0 | 0 | 0 | 109 | N36 | N36-T38 PolarHBondContact O-N 3Š| ||
| 39 | S | 42.4 | Very low | 46.1 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -115 | 91.9 | 175 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | K37 L41 | K37-S39 PolarHBondContact O-N 3.31Å; S39-L41 PolarHBondContact O-N 3.03Å | ||
| 40 | D | 45.5 | Very low | 44.4 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -57.3 | 120.5 | 170.4 | -87 | -71.7 | 0 | 0 | 0 | 111.2 | ||||
| 41 | L | 41.4 | Very low | 44.4 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -138.5 | 60.1 | 170 | -148.6 | 76.7 | 0 | 0 | 0 | 113.7 | S39 T43 | S39-L41 PolarHBondContact O-N 3.03Å; L41-T43 PolarHBondContact O-N 3.27Å | ||
| 42 | R | 38.3 | Very low | 43.1 | Very low | 233 Ų | 233 | 138.5 Ų | 138.5 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | 29.2 | 88.3 | 130.2 | -167.1 | -176.4 | -166.7 | 162.4 | 4.1 | 116.6 | ||||
| 43 | T | 34.4 | Very low | 42.7 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -102.4 | 132.4 | 156.1 | -67.3 | 0 | 0 | 0 | 0 | 108.8 | L41 | L41-T43 PolarHBondContact O-N 3.27Š| ||
| 44 | S | 43.5 | Very low | 42 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -137.3 | 98.5 | -169.3 | -178.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 45 | Q | 37.7 | Very low | 41.6 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -151.6 | 142.5 | 163 | -61.8 | -176.1 | -4.7 | 0 | 0 | 106.8 | ||||
| 46 | G | 32 | Very low | 42 | Very low | 63 Ų | 63 | 145.3 Ų | 145.3 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | 174.7 | 146.4 | -10.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 47 | L | 35.6 | Very low | 40.7 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | 66.8 | 104.5 | 173.5 | -68 | 78.6 | 0 | 0 | 0 | 119.2 | ||||
| 48 | E | 41.9 | Very low | 40.4 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | 25.2 | 156.9 | 117.3 | -69.9 | -71.6 | 80.5 | 0 | 0 | 122.4 | |||||
| 49 | P | 50.3 | Low | 39.6 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | cis | -146.8 | 142.3 | -22.3 | 35.7 | -15.1 | 0 | 0 | 0 | 118.4 | ||||
| 50 | R | 36.6 | Very low | 39.2 | Very low | 235 Ų | 235 | 139.7 Ų | 139.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | 54.2 | -166.7 | 146.3 | -65.2 | -173.6 | 117.2 | -169.5 | 3.2 | 118.1 | ||||
| 51 | P | 57.1 | Low | 38.7 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | -133.9 | 162.8 | -83.1 | 41.8 | -26.9 | 0 | 0 | 0 | 116.7 | |||||
| 52 | N | 29.9 | Very low | 38.6 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 167.5 | 137 | 139 | -96.1 | -79.8 | 0 | 0 | 0 | 107.3 | ||||
| 53 | L | 41 | Very low | 38.3 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | 70 | 106.6 | 63.9 | -151.1 | 85.3 | 0 | 0 | 0 | 113.4 | |||||
| 54 | N | 34.4 | Very low | 38.3 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | 164.2 | 139.8 | 132.2 | -79.8 | -20.4 | 0 | 0 | 0 | 113.1 | ||||
| 55 | N | 35.3 | Very low | 37.7 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -99.4 | -176.4 | 173.5 | -70 | -0.8 | 0 | 0 | 0 | 109.8 | ||||
| 56 | P | 55.5 | Low | 37.1 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | cis | -127.6 | -151 | -49.9 | 37.1 | -19.6 | 0 | 0 | 0 | 111 | ||||
| 57 | A | 29.7 | Very low | 37.1 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 93.5 | 148 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 58 | V | 35.3 | Very low | 37 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | cis | -160.2 | 152.9 | -10.8 | 118.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 59 | A | 33.4 | Very low | 36.7 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 65.2 | 157.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 60 | A | 34.8 | Very low | 35.8 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -146.4 | 156.1 | 3.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 61 | A | 34.2 | Very low | 35.6 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | 52.9 | 143.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 62 | Q | 40.7 | Very low | 34.3 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | cis | -163.7 | 143.7 | 2.4 | -125.2 | 169.3 | 55.8 | 0 | 0 | 110.8 | ||||
| 63 | T | 30.8 | Very low | 34.5 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 64% | 0.638 | 75% | 0.751 | S | S | * | * | trans | 36.1 | 145.5 | 137.8 | 58.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 64 | N | 33.9 | Very low | 34.2 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | cis | -170.7 | 160.3 | 1 | -106.8 | -8.2 | 0 | 0 | 0 | 110.7 | ||||
| 65 | A | 30.9 | Very low | 34.9 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | 141.5 | 114.3 | 132.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 66 | T | 25.7 | Very low | 34.6 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -157.4 | 106.8 | 169.4 | -68.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 67 | T | 32.1 | Very low | 34.7 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | 52 | 175.2 | 158.7 | 17.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 68 | D | 34.3 | Very low | 34.5 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | cis | -152.8 | -174.7 | 3.7 | -136.4 | -45.8 | 0 | 0 | 0 | 113.2 | ||||
| 69 | A | 34.8 | Very low | 34.6 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 77.2 | 147.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 70 | E | 31.6 | Very low | 34.6 | Very low | 145 Ų | 145 | 129 Ų | 129 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -167.7 | 157.2 | -13.9 | 163.2 | 176 | 126.4 | 0 | 0 | 110.8 | ||||
| 71 | K | 31.4 | Very low | 34.5 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | 68.4 | 154.9 | 164.8 | -83.1 | 162.6 | 176.2 | 139.5 | 0 | 119.1 | ||||
| 72 | Q | 31 | Very low | 34.3 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -171.2 | 163.6 | -27.1 | 171.8 | 174.9 | -27.9 | 0 | 0 | 109.7 | ||||
| 73 | S | 33.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 93.7 | 122.9 | 162.5 | -61.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 74 | T | 36 | Very low | 34.1 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -97.8 | 154.2 | 158.5 | -22.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 75 | P | 47.4 | Very low | 34.1 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -146.6 | 171 | 97.3 | 37.3 | -20.4 | 0 | 0 | 0 | 116 | |||||
| 76 | R | 30.7 | Very low | 34.4 | Very low | 234 Ų | 234 | 127.4 Ų | 127.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -90.2 | 178.5 | 168.8 | -137.1 | -170.3 | 159.5 | -164.8 | -3.8 | 109 | ||||
| 77 | P | 55.9 | Low | 35.8 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | cis | -129.5 | -169.7 | -16.2 | 43.4 | -27.9 | 0 | 0 | 0 | 113.1 | ||||
| 78 | T | 26.8 | Very low | 35.7 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | 165.1 | 166.9 | 132.1 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 79 | L | 37 | Very low | 35.5 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -106 | 175.3 | -167.8 | -76.3 | 78.1 | 0 | 0 | 0 | 114.9 | ||||
| 80 | A | 32.8 | Very low | 35.4 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 84.5 | 155.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 81 | S | 33.3 | Very low | 35.6 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | cis | -172.7 | 143.1 | -27 | -99.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 82 | T | 31 | Very low | 36 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 55.8 | 127.8 | 150.9 | -40.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 83 | T | 30.8 | Very low | 36.1 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | 167.5 | 153.4 | 119 | -67.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 84 | A | 36.6 | Very low | 36.5 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -56.7 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 85 | A | 31.9 | Very low | 36.6 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | cis | -161.2 | -168.6 | 35.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 86 | A | 37.4 | Very low | 36.1 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -128.6 | -151 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 87 | P | 56.3 | Low | 36.4 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -117.9 | -167 | -76.9 | 36.2 | -22 | 0 | 0 | 0 | 113.2 | |||||
| 88 | K | 28.9 | Very low | 35.1 | Very low | 209 Ų | 209 | 126.5 Ų | 126.5 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -137.2 | 160.9 | 162 | -80.7 | -166.4 | 174.8 | -178 | 0 | 112.7 | ||||
| 89 | T | 31.7 | Very low | 35.2 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -145.7 | 155.1 | -159.7 | -44.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 90 | A | 32.3 | Very low | 34.8 | Very low | 93 Ų | 93 | 124.1 Ų | 124.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -162.4 | 148.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 91 | S | 35.2 | Very low | 34.8 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | cis | -166.9 | 141.3 | -24.7 | -157.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 92 | A | 39.6 | Very low | 34.8 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | 54 | 151.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 93 | E | 34.2 | Very low | 34.9 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | cis | -157.5 | -175.7 | -11.9 | -128.5 | 168.1 | 99.1 | 0 | 0 | 114.7 | ||||
| 94 | A | 40.4 | Very low | 34.9 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | trans | -77.9 | -168.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 95 | K | 39.3 | Very low | 35.3 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -164.5 | -172.5 | 6.8 | -138.9 | 171.9 | 179.1 | -74.4 | 0 | 107.8 | ||||
| 96 | D | 35.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | cis | -159.4 | -176.2 | 4.2 | -146.4 | 159.8 | 0 | 0 | 0 | 114.9 | ||||
| 97 | V | 38.3 | Very low | 35.1 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | -51.7 | 145.1 | 176.5 | 161.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 98 | K | 28.3 | Very low | 33.9 | Very low | 203 Ų | 203 | 140.8 Ų | 140.8 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | -173.2 | -178 | 114 | -151.4 | 150.7 | -179.3 | 178.9 | 0 | 114.3 | |||||
| 99 | T | 28.9 | Very low | 34 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | trans | -144.6 | 151.1 | -146.3 | -57.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 100 | T | 29.5 | Very low | 33.9 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | 77 | 120.6 | 162.6 | -71.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 101 | R | 31.5 | Very low | 34.5 | Very low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | -177.9 | 170.2 | 98.7 | -147.9 | 166.5 | -179.6 | -177.6 | -1.3 | 113.8 | |||||
| 102 | Q | 33.8 | Very low | 34.5 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -85.4 | 163.9 | 179.7 | -55 | 170.3 | -18.1 | 0 | 0 | 114.7 | ||||
| 103 | V | 33.1 | Very low | 34.2 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -152 | 146 | 139.3 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 104 | E | 29.8 | Very low | 34.2 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -127.3 | 149.8 | 157.1 | -169.1 | -136.2 | 113.9 | 0 | 0 | 107.9 | T106 | E104-T106 PolarHBondContact OE1-N 3.16Å; E104-T106 PolarHBondContact OE1-OG1 3.35Å | ||
| 105 | P | 45.5 | Very low | 33.8 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | -154.5 | 124.8 | 119.8 | 34.2 | -13.9 | 0 | 0 | 0 | 118.6 | |||||
| 106 | T | 30.3 | Very low | 33.5 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | 60.1 | 149.6 | 112 | -20.5 | 0 | 0 | 0 | 0 | 124.5 | E104 | E104-T106 PolarHBondContact OE1-N 3.16Å; E104-T106 PolarHBondContact OE1-OG1 3.35Å | |||
| 107 | V | 34.5 | Very low | 33.4 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | trans | 82.1 | 113.7 | 155.4 | -146.5 | 0 | 0 | 0 | 0 | 121.9 | L109 | V107-L109 HydrophobicContact CG1-CD1 4.1Š| ||
| 108 | H | 31.2 | Very low | 32.9 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | -171.1 | 176.3 | 113 | -113.9 | -92 | 0 | 0 | 0 | 115.5 | |||||
| 109 | L | 32.2 | Very low | 32.9 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -109.6 | 169.7 | -146.2 | -86.5 | 66.1 | 0 | 0 | 0 | 118.1 | V107 | V107-L109 HydrophobicContact CG1-CD1 4.1Š| ||
| 110 | S | 28.4 | Very low | 32.9 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -73.5 | -168 | 169.7 | -139.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 111 | P | 45.1 | Very low | 33.3 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | cis | -147.2 | -157.6 | 14.1 | 44 | -20.5 | 0 | 0 | 0 | 117.9 | ||||
| 112 | Q | 34.8 | Very low | 34.3 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 100.3 | 146.7 | 168.2 | -56.3 | -159.5 | 19.2 | 0 | 0 | 117.1 | ||||
| 113 | S | 33.2 | Very low | 35.5 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -145.3 | -169.5 | 1.5 | -152.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 114 | K | 35.4 | Very low | 36.2 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | -112.3 | -179.5 | -163.2 | -55.6 | 176 | 178.9 | 179.3 | 0 | 115.7 | ||||
| 115 | K | 32 | Very low | 36.4 | Very low | 175 Ų | 175 | 131 Ų | 131 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | 100.9 | 144.9 | 159 | -64.2 | 178.5 | 149.3 | -79.2 | 0 | 116.5 | ||||
| 116 | D | 32.5 | Very low | 35.7 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | cis | -153.9 | 174 | -9.9 | -103.7 | -24.2 | 0 | 0 | 0 | 110.8 | ||||
| 117 | A | 32.3 | Very low | 35.7 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -115.7 | 160.1 | -162.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 118 | K | 28.9 | Very low | 35.4 | Very low | 207 Ų | 207 | 139.7 Ų | 139.7 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | trans | -165.6 | 121.6 | 149.3 | -146.5 | 168.6 | -177.4 | 178.5 | 0 | 108.8 | ||||
| 119 | G | 27.9 | Very low | 35.2 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 83.1 | 126.1 | 84.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 120 | T | 30 | Very low | 35.1 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | cis | -158.3 | 163.6 | 22.7 | -66.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 121 | L | 37.3 | Very low | 35.3 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -144.7 | -178.8 | 177.1 | -93.5 | 177.5 | 0 | 0 | 0 | 108.2 | ||||
| 122 | P | 52.5 | Low | 34.6 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | cis | -126.7 | -104.8 | -7.8 | 21 | 5.1 | 0 | 0 | 0 | 117.9 | ||||
| 123 | P | 59.5 | Low | 34.4 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | -130 | -145.4 | -119.9 | 46.1 | -25.9 | 0 | 0 | 0 | 113.1 | |||||
| 124 | P | 47.6 | Very low | 34.5 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | cis | -142 | 178.3 | -10 | 39.4 | -19 | 0 | 0 | 0 | 119 | ||||
| 125 | A | 33.5 | Very low | 34.3 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 66.8 | 159.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 126 | E | 31.6 | Very low | 34.3 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | cis | -157 | -175 | -28 | -107.8 | -146.3 | 117 | 0 | 0 | 111 | ||||
| 127 | K | 29.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -81.5 | 143.1 | -170.8 | -17.6 | 87.7 | 169.9 | 173.4 | 0 | 115.7 | ||||
| 128 | M | 28 | Very low | 34.2 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -160.5 | 140.8 | 141.4 | -121.9 | 161.2 | 169.6 | 0 | 0 | 108.1 | ||||
| 129 | S | 27.9 | Very low | 34.4 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | 71.6 | 128.1 | 32.2 | -168 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 130 | R | 30.2 | Very low | 35.2 | Very low | 204 Ų | 204 | 137.4 Ų | 137.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | -175.8 | 147.2 | -6.9 | 175.3 | -171 | -165.9 | -158.2 | 9.6 | 109.6 | ||||
| 131 | K | 31.1 | Very low | 35.4 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | trans | 70.6 | 165.9 | 154.9 | -95.1 | -179.3 | 160.9 | -136.8 | 0 | 119.1 | ||||
| 132 | E | 31.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 133 Ų | 133 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | cis | -101.2 | -130.6 | -12.3 | -70.2 | -155.7 | -55.6 | 0 | 0 | 110.6 | ||||
| 133 | N | 29.8 | Very low | 35.1 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -160 | 168.4 | -13.1 | -130.4 | -26.9 | 0 | 0 | 0 | 107.6 | ||||
| 134 | A | 35 | Very low | 34.1 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 60% | 0.595 | 75% | 0.751 | S | S | * | * | cis | -157.3 | 178.7 | 6.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 135 | V | 31.7 | Very low | 33.5 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | 76.6 | 131 | 162.1 | -172.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 136 | R | 33.1 | Very low | 33.4 | Very low | 225 Ų | 225 | 137.4 Ų | 137.4 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | trans | -38.7 | 142.7 | 178.9 | -72.1 | 172.7 | 169.2 | -169.3 | -5 | 116.4 | ||||
| 137 | T | 27.7 | Very low | 33.4 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | cis | 89.1 | 106.6 | 42.3 | -58.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 138 | T | 34.8 | Very low | 33.6 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -142.7 | 145.6 | 133.8 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 139 | T | 33 | Very low | 33.5 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -160.3 | 152.1 | 171.3 | -10.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 140 | P | 44.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | -145 | -169.9 | 67.6 | 38.7 | -18.3 | 0 | 0 | 0 | 114.6 | |||||
| 141 | A | 33.1 | Very low | 35 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -117.7 | -155.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 142 | P | 52.3 | Low | 34.7 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | -115.2 | 177.1 | -52.1 | 38 | -26.5 | 0 | 0 | 0 | 111.9 | |||||
| 143 | T | 32.9 | Very low | 34.6 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -151.6 | 157.9 | 165.3 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 144 | A | 37.1 | Very low | 34.6 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | trans | -141.4 | 171.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 145 | N | 35.3 | Very low | 35.1 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | 96.5 | 128.6 | 155 | -64.5 | -8.4 | 0 | 0 | 0 | 122.2 | ||||
| 146 | T | 31.5 | Very low | 35 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 79 | 109.2 | 142.1 | -54.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 147 | K | 31.5 | Very low | 34.9 | Very low | 201 Ų | 201 | 131.2 Ų | 131.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | -159.9 | 163.9 | 102.3 | -164.1 | 164.1 | 178.2 | -176.5 | 0 | 111.6 | |||||
| 148 | V | 33.4 | Very low | 35.5 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -125.7 | 155.9 | -171.7 | 175 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 149 | T | 27.6 | Very low | 35.9 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | 161.7 | 146.6 | 133 | -77.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 150 | Q | 36.4 | Very low | 35.6 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -112.3 | -156.8 | -178.4 | -136.5 | -171.7 | -23.3 | 0 | 0 | 108.2 | ||||
| 151 | P | 52.3 | Low | 35.2 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | cis | -136.4 | -165 | -29.1 | 35.9 | -14.3 | 0 | 0 | 0 | 113.8 | ||||
| 152 | T | 25.7 | Very low | 35 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | trans | 77.2 | 135.8 | 144.1 | -59.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 153 | G | 27.2 | Very low | 34 | Very low | 74 Ų | 74 | 128.9 Ų | 128.9 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | 159.6 | 78.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 154 | E | 31.2 | Very low | 34 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -83.5 | 167.5 | 144.2 | -87.5 | -173.6 | 119.5 | 0 | 0 | 108.3 | ||||
| 155 | P | 45 | Very low | 33.7 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | -144.9 | -173.4 | 22.4 | 38.1 | -14.9 | 0 | 0 | 0 | 117.8 | ||||
| 156 | D | 29.1 | Very low | 33.6 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 97.1 | 152.5 | 132.4 | -139.5 | 7.1 | 0 | 0 | 0 | 124 | ||||
| 157 | V | 32.6 | Very low | 33.9 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 60.9 | 126.9 | 166.2 | -122.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 158 | Q | 39.2 | Very low | 34.5 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | trans | -86.3 | 162.5 | 162.7 | -151.7 | -178.9 | 10.1 | 0 | 0 | 110.6 | T160 | Q158-T160 VanDerWaalsContact CD-OG1 3.3Å; Q158-T160 PolarHBondContact OE1-OG1 3.48Å | ||
| 159 | P | 42.5 | Very low | 34.4 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | -138 | 151.7 | 103.2 | 36.6 | -25.1 | 0 | 0 | 0 | 112.5 | |||||
| 160 | T | 27.6 | Very low | 34.6 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | cis | 89.7 | 134.2 | 28 | -58.4 | 0 | 0 | 0 | 0 | 113.9 | Q158 | Q158-T160 VanDerWaalsContact CD-OG1 3.3Å; Q158-T160 PolarHBondContact OE1-OG1 3.48Å | ||
| 161 | S | 36 | Very low | 34.4 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 80.3 | 145.2 | 164.5 | 173.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 162 | T | 28.1 | Very low | 33.4 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | cis | -169.3 | -178.9 | -19 | -71.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 163 | A | 32.6 | Very low | 33.8 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | trans | 87 | 119.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 164 | E | 32.2 | Very low | 34.2 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | 72.3 | 144.4 | 61.5 | -73.9 | -165.8 | 93 | 0 | 0 | 113.2 | |||||
| 165 | S | 31.3 | Very low | 34.6 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | -171.2 | 178.8 | -18.4 | -170.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 166 | V | 32.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 68.8 | 107.8 | 163.3 | -173.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 167 | D | 37.4 | Very low | 34.6 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | -65.4 | 139.6 | 153.7 | 176.8 | 64.8 | 0 | 0 | 0 | 109.8 | Q169 | D167-Q169 PolarHBondContact OD1-N 3.5Š| ||
| 168 | P | 44.9 | Very low | 34.7 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | -148.2 | 142 | 83.8 | 36.1 | -15.7 | 0 | 0 | 0 | 118.6 | |||||
| 169 | Q | 31.5 | Very low | 35 | Very low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | 48.7 | 131.1 | 140.6 | -60.4 | -176.6 | 39.7 | 0 | 0 | 121.3 | D167 | D167-Q169 PolarHBondContact OD1-N 3.5Š| ||
| 170 | L | 30.8 | Very low | 35 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | 170 | 124.9 | 102.3 | -178.4 | 65.3 | 0 | 0 | 0 | 110.5 | |||||
| 171 | G | 31.7 | Very low | 35.6 | Very low | 66 Ų | 66 | 136.2 Ų | 136.2 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | 163.6 | 62.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 172 | T | 32.2 | Very low | 35.4 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | 55.9 | 94 | 152.3 | -46.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 173 | E | 33.3 | Very low | 36.2 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -72 | 167.6 | 158.8 | -65 | -171.6 | 114.7 | 0 | 0 | 112.7 | ||||
| 174 | K | 36.8 | Very low | 36.7 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -129.2 | 116.4 | 155.6 | -79.8 | -166.2 | 172.3 | -168.1 | 0 | 109.9 | ||||
| 175 | Q | 39 | Very low | 36.9 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | trans | 30.5 | 132 | 155.1 | -91.1 | 173.2 | -38.3 | 0 | 0 | 118.9 | E177 | Q175-E177 HydrophobicContact CG-CB 4.35Å; Q175-E177 PolarHBondContact NE2-OE2 3.47Å | ||
| 176 | P | 40.4 | Very low | 37.6 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | -109.2 | 163.3 | 69.1 | -11.1 | 30.1 | 0 | 0 | 0 | 115.2 | |||||
| 177 | E | 33.9 | Very low | 38.3 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | -104.9 | 110.3 | -168.3 | -164.4 | 166.4 | 153.5 | 0 | 0 | 113.5 | Q175 | Q175-E177 HydrophobicContact CG-CB 4.35Å; Q175-E177 PolarHBondContact NE2-OE2 3.47Å | ||
| 178 | I | 34.1 | Very low | 38.5 | Very low | 140 Ų | 140 | 141 Ų | 141 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | 39.2 | 117.1 | 135.4 | -48.4 | 176.3 | 0 | 0 | 0 | 118.3 | P180 | I178-P180 HydrophobicContact CG2-CG 4.29Š| ||
| 179 | V | 45.4 | Very low | 38.8 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -96.8 | 143 | 150.2 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 180 | P | 44.2 | Very low | 39.6 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -139.7 | 134.9 | 142.6 | 30.3 | -12.2 | 0 | 0 | 0 | 113.5 | I178 | I178-P180 HydrophobicContact CG2-CG 4.29Š| ||
| 181 | E | 40.1 | Very low | 40.4 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -77.6 | 144.1 | 152.1 | -65.4 | -171.1 | 147 | 0 | 0 | 109.4 | ||||
| 182 | T | 31.7 | Very low | 41 | Very low | 135 Ų | 135 | 148 Ų | 148 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -168.1 | 117.1 | 143.2 | 3.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 183 | S | 44.6 | Very low | 41.4 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -71.5 | 159.3 | 161.7 | -53.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 184 | P | 42 | Very low | 42.2 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -146.7 | 138.3 | 110.3 | 35.1 | -19.9 | 0 | 0 | 0 | 115.3 | |||||
| 185 | S | 36.4 | Very low | 42.6 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -146.9 | 120.8 | 157.7 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 186 | K | 46 | Very low | 42.9 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -133.7 | 169.8 | 173.2 | -81.8 | -163 | 176.2 | -158.7 | 0 | 107.3 | ||||
| 187 | P | 46.9 | Very low | 43 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | cis | -109.2 | -168.2 | -12.5 | 40.2 | -28.4 | 0 | 0 | 0 | 110.5 | ||||
| 188 | D | 41.4 | Very low | 43.8 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | -160.3 | 121.9 | 120.1 | -88.6 | -27 | 0 | 0 | 0 | 107.2 | |||||
| 189 | E | 52.8 | Low | 44.1 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -125.8 | 118.8 | 176.2 | -73.5 | 170.5 | -174.3 | 0 | 0 | 106.2 | ||||
| 190 | D | 47.1 | Very low | 44.3 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -154.1 | 71.2 | 165.9 | -127.8 | 1.7 | 0 | 0 | 0 | 107.9 | ||||
| 191 | D | 47.8 | Very low | 44.2 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 22.3 | 174.6 | 131.3 | -129.9 | -24.6 | 0 | 0 | 0 | 123 | ||||
| 192 | E | 43.9 | Very low | 44.2 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 78.9 | 93.6 | 164.7 | -56.8 | -77.6 | -157 | 0 | 0 | 119.8 | ||||
| 193 | D | 41.3 | Very low | 44.5 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | 104.3 | 153.5 | 106.5 | -148.4 | 14.5 | 0 | 0 | 0 | 122.4 | |||||
| 194 | Y | 50.4 | Low | 44.1 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | trans | 59.3 | 93 | 174.2 | -81.5 | -71.5 | 0 | 0 | 0 | 122.7 | ||||
| 195 | E | 44.2 | Very low | 44 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | 4.6 | 147.8 | 118.5 | -77.4 | -74 | -169.1 | 0 | 0 | 121.5 | |||||
| 196 | D | 45.9 | Very low | 44.4 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 57% | 0.572 | 76% | 0.761 | S | S | * | * | trans | 55.7 | 138.7 | 162.4 | -158.4 | 20.8 | 0 | 0 | 0 | 119.9 | ||||
| 197 | Y | 42 | Very low | 44.5 | Very low | 198 Ų | 198 | 149 Ų | 149 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | 167.3 | 98.5 | 121.9 | -77.1 | -42.8 | 0 | 0 | 0 | 110.2 | L199 | Y197-L199 VanDerWaalsContact C-N 3.27Å; Y197-L199 PolarHBondContact O-N 2.82Å | |||
| 198 | I | 51.8 | Low | 44.2 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -67.4 | 85 | 165.2 | -61.5 | -69.1 | 0 | 0 | 0 | 109.3 | S200 | I198-S200 PolarHBondContact O-N 3.43Š| ||
| 199 | L | 40.6 | Very low | 44.1 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -93.8 | 78.8 | 172.8 | -168.5 | 63.6 | 0 | 0 | 0 | 111.3 | Y197 S201 | Y197-L199 VanDerWaalsContact C-N 3.27Å; Y197-L199 PolarHBondContact O-N 2.82Å; L199-S201 VanDerWaalsContact C-N 3.3Å; L199-S201 PolarHBondContact O-N 3.27Å | ||
| 200 | S | 49.7 | Very low | 43.3 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -79.7 | 72.6 | 172.7 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | I198 | I198-S200 PolarHBondContact O-N 3.43Š| ||
| 201 | S | 41.9 | Very low | 42.7 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | trans | -162.4 | 138.9 | 161.6 | -77.1 | 0 | 0 | 0 | 0 | 107.6 | L199 | L199-S201 VanDerWaalsContact C-N 3.3Å; L199-S201 PolarHBondContact O-N 3.27Å | ||
| 202 | D | 40.2 | Very low | 42.5 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | cis | -114.4 | -164 | 8.4 | -140.4 | -5.3 | 0 | 0 | 0 | 108.9 | ||||
| 203 | E | 37.6 | Very low | 42.5 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | cis | -152.9 | 146.6 | 21.7 | -155.9 | 168.3 | 157.9 | 0 | 0 | 114.8 | ||||
| 204 | G | 37 | Very low | 42.8 | Very low | 62 Ų | 62 | 149.8 Ų | 149.8 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | 36.8 | 85.8 | 138.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | K206 | G204-K206 PolarHBondContact O-N 3.44Š| ||
| 205 | R | 38.7 | Very low | 42.6 | Very low | 246 Ų | 246 | 151 Ų | 151 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | trans | -63 | 93.3 | 155 | 172.2 | -121.5 | 169.8 | -175.4 | -3.3 | 110.7 | ||||
| 206 | K | 45.3 | Very low | 42.6 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | trans | -144.2 | 155.6 | 151.2 | -76.7 | -154.8 | 168.3 | -162.1 | 0 | 112.9 | G204 | G204-K206 PolarHBondContact O-N 3.44Š| ||
| 207 | E | 47.5 | Very low | 42.7 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -39 | 157.2 | 179.9 | 44.4 | -105 | 124.1 | 0 | 0 | 116.5 | ||||
| 208 | N | 40.3 | Very low | 43.1 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | cis | -163.1 | 157.4 | 47.8 | -38.2 | -104.1 | 0 | 0 | 0 | 116.3 | ||||
| 209 | K | 40 | Very low | 42.7 | Very low | 206 Ų | 206 | 151.3 Ų | 151.3 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | 75.7 | 45.1 | 130.5 | -151.1 | 162.9 | -178 | 173.8 | 0 | 123.3 | ||||
| 210 | G | 36.1 | Very low | 43.3 | Very low | 77 Ų | 77 | 151.6 Ų | 151.6 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | 69.6 | -159.6 | 128.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 211 | R | 35.1 | Very low | 43.4 | Very low | 225 Ų | 225 | 153.4 Ų | 153.4 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | trans | 88.4 | 103.9 | -178.6 | -164.4 | 165.4 | -178.4 | -94.5 | -0.9 | 117.8 | ||||
| 212 | I | 42 | Very low | 43.5 | Very low | 119 Ų | 119 | 152.4 Ų | 152.4 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | trans | 57 | 112.8 | 155.5 | 70.5 | -163.5 | 0 | 0 | 0 | 122.7 | ||||
| 213 | D | 44.6 | Very low | 43.9 | Very low | 141 Ų | 141 | 154.7 Ų | 154.7 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | 65.5 | 159.4 | 126 | -65.4 | -69 | 0 | 0 | 0 | 124.2 | |||||
| 214 | T | 47.9 | Very low | 44.7 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | 68.7 | 66.4 | 167.7 | 59.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 215 | K | 46.1 | Very low | 45.4 | Very low | 214 Ų | 214 | 156.8 Ų | 156.8 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -128.4 | 67.9 | 143.1 | -78.8 | -156.6 | 173.6 | -172.3 | 0 | 112.8 | ||||
| 216 | Q | 44.2 | Very low | 46 | Very low | 156 Ų | 156 | 151 Ų | 151 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | trans | -72.1 | 132.9 | 154.2 | 176 | 177.7 | -12.5 | 0 | 0 | 108.8 | ||||
| 217 | Q | 47.8 | Very low | 46.4 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 30.9 | 99.6 | 156.5 | -56.5 | 165.8 | 26.7 | 0 | 0 | 118.2 | ||||
| 218 | V | 50.7 | Low | 46.5 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -158.2 | 90.9 | 132.1 | -100.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 219 | N | 44 | Very low | 47.3 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 96% | 0.957 | 78% | 0.784 | S | S | * | * | trans | -140.7 | 65.4 | 148.5 | -91 | -23.3 | 0 | 0 | 0 | 105 | ||||
| 220 | L | 52.8 | Low | 48 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -125.9 | 137.5 | 177.3 | -177.7 | 75.4 | 0 | 0 | 0 | 105.5 | ||||
| 221 | V | 51.3 | Low | 48.9 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 71.6 | 115.5 | -163.4 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 222 | G | 45.3 | Very low | 49.9 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 156.3 | -30.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 223 | E | 47.6 | Very low | 50.9 | Low | 194 Ų | 194 | 141 Ų | 141 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | -108.7 | 66.4 | 178.6 | -161.1 | 177.9 | 136 | 0 | 0 | 111.5 | ||||
| 224 | V | 54.1 | Low | 52.2 | Low | 135 Ų | 135 | 137.4 Ų | 137.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -140 | 139.7 | 160.8 | -175.1 | 0 | 0 | 0 | 0 | 106.6 | ||
| 225 | D | 52.2 | Low | 53.6 | Low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 72.7 | 66.9 | 178.8 | -146.9 | 30.3 | 0 | 0 | 0 | 116 | ||
| 226 | S | 52.2 | Low | 55 | Low | 124 Ų | 124 | 131.9 Ų | 131.9 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | trans | -151.1 | 45.2 | 162.6 | -73.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 227 | F | 53.4 | Low | 56.5 | Low | 173 Ų | 173 | 130.5 Ų | 130.5 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | trans | -99.6 | 114.7 | 178.1 | -77.7 | -73.2 | 0 | 0 | 0 | 112.2 | ||||
| 228 | S | 49.7 | Very low | 58 | Low | 41 Ų | 41 | 127 Ų | 127 | 29% | 0.287 | 69% | 0.689 | S | S | . | * | trans | 62.2 | 101.2 | 160.7 | -160.1 | 0 | 0 | 0 | 0 | 116.6 | E230 E231 Q232 | S228-E230 PolarHBondContact O-N 2.78Å; S228-E230 VanDerWaalsContact O-N 3.16Å; S228-E231 WeakPolarHBondContact CB-OE2 3.21Å; S228-E231 PolarHBondContact OG-N 3.46Å; S228-E231 PolarHBondContact OG-OE2 2.89Å; S228-Q232 WeakPolarHBondContact O-CG 3.28Å; S228-Q232 PolarHBondContact O-NE2 3.17Å | ||
| 229 | S | 56 | Low | 59.5 | Low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -48.6 | -26.1 | 164.7 | 45 | 0 | 0 | 0 | 0 | 115.9 | ||
| 230 | E | 55 | Low | 61.4 | Low | 183 Ų | 183 | 121 Ų | 121 | 86% | 0.855 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -126.7 | -12.4 | -151.6 | 56.9 | -165.4 | 81.7 | 0 | 0 | 114.9 | S228 | S228-E230 PolarHBondContact O-N 2.78Å; S228-E230 VanDerWaalsContact O-N 3.16Å |
| 231 | E | 55.8 | Low | 63 | Low | 131 Ų | 131 | 117 Ų | 117 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -93.1 | 2.5 | 169.3 | -70.8 | 169.7 | 114.5 | 0 | 0 | 112.8 | S228 D233 S234 H235 | S228-E231 WeakPolarHBondContact CB-OE2 3.21Å; S228-E231 PolarHBondContact OG-N 3.46Å; S228-E231 PolarHBondContact OG-OE2 2.89Å; E231-D233 PolarHBondContact O-N 2.87Å; E231-S234 PolarHBondContact O-N 2.85Å; E231-H235 VanDerWaalsContact O-CB 3.29Å; E231-H235 WeakPolarHBondContact O-CB 3.16Å; E231-H235 PolarHBondContact O-N 3.12Å |
| 232 | Q | 56.1 | Low | 64.4 | Low | 94 Ų | 94 | 112.4 Ų | 112.4 | 44% | 0.439 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.1 | -42 | -158.2 | -62.1 | -154.9 | -28.8 | 0 | 0 | 115.5 | S228 S234 H235 F236 | S228-Q232 WeakPolarHBondContact O-CG 3.28Å; S228-Q232 PolarHBondContact O-NE2 3.17Å; Q232-S234 VanDerWaalsContact C-N 3.34Å; Q232-S234 PolarHBondContact O-N 3.32Å; Q232-H235 PolarHBondContact O-N 3.44Å; Q232-F236 WeakPolarHBondContact O-CB 3.5Å; Q232-F236 PolarHBondContact O-N 3.2Å |
| 233 | D | 61.8 | Low | 66.4 | Low | 147 Ų | 147 | 113.8 Ų | 113.8 | 79% | 0.786 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.1 | -39.8 | -178.1 | -68.1 | -28.2 | 0 | 0 | 0 | 112 | E231 F237 | E231-D233 PolarHBondContact O-N 2.87Å; D233-F237 WeakPolarHBondContact O-CB 3.44Å; D233-F237 PolarHBondContact O-N 3.39Å |
| 234 | S | 71.4 | Confident | 68.2 | Low | 67 Ų | 67 | 107.3 Ų | 107.3 | 47% | 0.469 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.7 | -47.5 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | E231 Q232 F236 F237 F238 | E231-S234 PolarHBondContact O-N 2.85Å; Q232-S234 VanDerWaalsContact C-N 3.34Å; Q232-S234 PolarHBondContact O-N 3.32Å; S234-F236 PolarHBondContact O-N 2.82Å; S234-F237 PolarHBondContact O-N 3.11Å; S234-F238 WeakPolarHBondContact O-CD2 3.5Å; S234-F238 PolarHBondContact O-N 3.43Å; S234-F238 WeakPolarHBondContact OG-CE2 3.34Å |
| 235 | H | 78.3 | Confident | 69.6 | Low | 101 Ų | 101 | 108.1 Ų | 108.1 | 47% | 0.468 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.4 | -45 | 177.1 | -176.9 | -94.1 | 0 | 0 | 0 | 112.1 | E231 Q232 F238 H239 | E231-H235 VanDerWaalsContact O-CB 3.29Å; E231-H235 WeakPolarHBondContact O-CB 3.16Å; E231-H235 PolarHBondContact O-N 3.12Å; Q232-H235 PolarHBondContact O-N 3.44Å; H235-F238 PolarHBondContact O-N 3.32Å; H235-H239 AromaticContact CD2-CE1 3.9Å; H235-H239 AromaticContact CE1-CE1 3.15Å; H235-H239 PolarHBondContact CE1-CE1 3.47Å; H235-H239 AromaticContact CE1-ND1 3.59Å; H235-H239 AromaticContact CE1-NE2 3.86Å; H235-H239 AromaticContact CG-ND1 3.97Å; H235-H239 AromaticContact ND1-CE1 3.63Å; H235-H239 AromaticContact ND1-ND1 3.58Å; H235-H239 AromaticContact NE2-CE1 3.29Å; H235-H239 PolarHBondContact NE2-CE1 2.79Å; H235-H239 VanDerWaalsContact NE2-CE1 3.29Å; H235-H239 AromaticContact NE2-ND1 3.95Å; H235-H239 PolarHBondContact O-N 3.44Å; H235-H239 PolarHBondContact O-ND1 2.75Å |
| 236 | F | 74.8 | Confident | 71 | Confident | 129 Ų | 129 | 105.7 Ų | 105.7 | 57% | 0.566 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.9 | -43.7 | 177.1 | -178.8 | -108.7 | 0 | 0 | 0 | 111.5 | Q232 S234 F238 H239 L240 | Q232-F236 WeakPolarHBondContact O-CB 3.5Å; Q232-F236 PolarHBondContact O-N 3.2Å; S234-F236 PolarHBondContact O-N 2.82Å; F236-F238 VanDerWaalsContact C-N 3.33Å; F236-F238 PolarHBondContact O-N 3.01Å; F236-H239 PolarHBondContact O-N 2.81Å; F236-H239 VanDerWaalsContact O-N 3.11Å; F236-L240 HydrophobicContact CD1-CD1 4.02Å; F236-L240 HydrophobicContact CD1-CG 4.4Å; F236-L240 HydrophobicContact CE1-CD1 3.57Å; F236-L240 HydrophobicContact CE1-CG 4.11Å; F236-L240 HydrophobicContact CE2-CD2 4.48Å; F236-L240 HydrophobicContact CZ-CD1 3.99Å; F236-L240 HydrophobicContact CZ-CD2 4.18Å; F236-L240 HydrophobicContact CZ-CG 4.17Å; F236-L240 WeakPolarHBondContact O-CG 3.35Å; F236-L240 PolarHBondContact O-N 3.15Å |
| 237 | F | 76.4 | Confident | 72.6 | Confident | 128 Ų | 128 | 104.1 Ų | 104.1 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.6 | -43.8 | 172.5 | 179.5 | -101.7 | 0 | 0 | 0 | 111.8 | D233 S234 L240 V241 | D233-F237 WeakPolarHBondContact O-CB 3.44Å; D233-F237 PolarHBondContact O-N 3.39Å; S234-F237 PolarHBondContact O-N 3.11Å; F237-L240 PolarHBondContact O-N 2.84Å; F237-V241 HydrophobicContact CD1-CG2 4.2Å; F237-V241 HydrophobicContact CE1-CG2 3.75Å; F237-V241 HydrophobicContact CE2-CG2 4.14Å; F237-V241 HydrophobicContact CZ-CG2 3.72Å; F237-V241 WeakPolarHBondContact O-CG2 3.26Å; F237-V241 PolarHBondContact O-N 3.24Å |
| 238 | F | 79.5 | Confident | 73.9 | Confident | 86 Ų | 86 | 98 Ų | 98 | 38% | 0.377 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 172.3 | -75.2 | -60.4 | 0 | 0 | 0 | 111.8 | V29 S234 H235 F236 L240 V241 I242 | V29-F238 HydrophobicContact CG1-CE1 4.36Å; V29-F238 HydrophobicContact CG1-CZ 4.38Å; S234-F238 WeakPolarHBondContact O-CD2 3.5Å; S234-F238 PolarHBondContact O-N 3.43Å; S234-F238 WeakPolarHBondContact OG-CE2 3.34Å; H235-F238 PolarHBondContact O-N 3.32Å; F236-F238 VanDerWaalsContact C-N 3.33Å; F236-F238 PolarHBondContact O-N 3.01Å; F238-L240 VanDerWaalsContact C-N 3.32Å; F238-L240 PolarHBondContact O-N 2.87Å; F238-V241 PolarHBondContact O-N 3.47Å; F238-V241 VanDerWaalsContact O-N 3.14Å; F238-I242 HydrophobicContact CB-CD1 4.25Å; F238-I242 WeakPolarHBondContact O-CB 3.16Å; F238-I242 VanDerWaalsContact O-CD1 3.23Å; F238-I242 WeakPolarHBondContact O-CD1 3.34Å; F238-I242 WeakPolarHBondContact O-CG1 3.3Å; F238-I242 PolarHBondContact O-N 2.85Å |
| 239 | H | 82.1 | Confident | 75.2 | Confident | 100 Ų | 100 | 97.8 Ų | 97.8 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 176.4 | -80.6 | 67 | 0 | 0 | 0 | 112.3 | H235 F236 L243 | H235-H239 AromaticContact CD2-CE1 3.9Å; H235-H239 AromaticContact CE1-CE1 3.15Å; H235-H239 PolarHBondContact CE1-CE1 3.47Å; H235-H239 AromaticContact CE1-ND1 3.59Å; H235-H239 AromaticContact CE1-NE2 3.86Å; H235-H239 AromaticContact CG-ND1 3.97Å; H235-H239 AromaticContact ND1-CE1 3.63Å; H235-H239 AromaticContact ND1-ND1 3.58Å; H235-H239 AromaticContact NE2-CE1 3.29Å; H235-H239 PolarHBondContact NE2-CE1 2.79Å; H235-H239 VanDerWaalsContact NE2-CE1 3.29Å; H235-H239 AromaticContact NE2-ND1 3.95Å; H235-H239 PolarHBondContact O-N 3.44Å; H235-H239 PolarHBondContact O-ND1 2.75Å; F236-H239 PolarHBondContact O-N 2.81Å; F236-H239 VanDerWaalsContact O-N 3.11Å; H239-L243 WeakPolarHBondContact O-CB 3.1Å; H239-L243 PolarHBondContact O-N 2.77Å |
| 240 | L | 84.7 | Confident | 76.3 | Confident | 84 Ų | 84 | 97 Ų | 97 | 44% | 0.44 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 172.7 | -68.3 | -178.6 | 0 | 0 | 0 | 112.3 | F236 F237 F238 L243 A244 | F236-L240 HydrophobicContact CD1-CD1 4.02Å; F236-L240 HydrophobicContact CD1-CG 4.4Å; F236-L240 HydrophobicContact CE1-CD1 3.57Å; F236-L240 HydrophobicContact CE1-CG 4.11Å; F236-L240 HydrophobicContact CE2-CD2 4.48Å; F236-L240 HydrophobicContact CZ-CD1 3.99Å; F236-L240 HydrophobicContact CZ-CD2 4.18Å; F236-L240 HydrophobicContact CZ-CG 4.17Å; F236-L240 WeakPolarHBondContact O-CG 3.35Å; F236-L240 PolarHBondContact O-N 3.15Å; F237-L240 PolarHBondContact O-N 2.84Å; F238-L240 VanDerWaalsContact C-N 3.32Å; F238-L240 PolarHBondContact O-N 2.87Å; L240-L243 PolarHBondContact O-N 2.78Å; L240-A244 WeakPolarHBondContact O-CB 3.13Å; L240-A244 PolarHBondContact O-N 2.79Å |
| 241 | V | 86.1 | Confident | 77.7 | Confident | 69 Ų | 69 | 94.9 Ų | 94.9 | 42% | 0.418 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.2 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | F237 F238 F245 | F237-V241 HydrophobicContact CD1-CG2 4.2Å; F237-V241 HydrophobicContact CE1-CG2 3.75Å; F237-V241 HydrophobicContact CE2-CG2 4.14Å; F237-V241 HydrophobicContact CZ-CG2 3.72Å; F237-V241 WeakPolarHBondContact O-CG2 3.26Å; F237-V241 PolarHBondContact O-N 3.24Å; F238-V241 PolarHBondContact O-N 3.47Å; F238-V241 VanDerWaalsContact O-N 3.14Å; V241-F245 VanDerWaalsContact O-CB 3.28Å; V241-F245 WeakPolarHBondContact O-CB 3.31Å; V241-F245 PolarHBondContact O-N 2.79Å |
| 242 | I | 80.9 | Confident | 78.7 | Confident | 49 Ų | 49 | 93.3 Ų | 93.3 | 25% | 0.251 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -46.7 | 177.3 | -64.8 | 156.8 | 0 | 0 | 0 | 109.9 | W26 F238 F245 L246 | W26-I242 HydrophobicContact CH2-CD1 3.33Å; W26-I242 HydrophobicContact CH2-CG1 3.6Å; W26-I242 HydrophobicContact CH2-CG2 4.3Å; W26-I242 HydrophobicContact CZ2-CD1 3.6Å; W26-I242 HydrophobicContact CZ2-CG1 4.36Å; W26-I242 HydrophobicContact CZ3-CD1 4.36Å; W26-I242 HydrophobicContact CZ3-CG1 4.24Å; F238-I242 HydrophobicContact CB-CD1 4.25Å; F238-I242 WeakPolarHBondContact O-CB 3.16Å; F238-I242 VanDerWaalsContact O-CD1 3.23Å; F238-I242 WeakPolarHBondContact O-CD1 3.34Å; F238-I242 WeakPolarHBondContact O-CG1 3.3Å; F238-I242 PolarHBondContact O-N 2.85Å; I242-F245 PolarHBondContact O-N 3.23Å; I242-L246 HydrophobicContact CG2-CD1 4.07Å; I242-L246 WeakPolarHBondContact O-CB 3.29Å; I242-L246 VanDerWaalsContact O-CG 3.31Å; I242-L246 WeakPolarHBondContact O-CG 3.41Å; I242-L246 PolarHBondContact O-N 2.88Å |
| 243 | L | 85.4 | Confident | 79.4 | Confident | 101 Ų | 101 | 91.8 Ų | 91.8 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 178.1 | -177.2 | 60.6 | 0 | 0 | 0 | 111.4 | H239 L240 F245 L246 V247 | H239-L243 WeakPolarHBondContact O-CB 3.1Å; H239-L243 PolarHBondContact O-N 2.77Å; L240-L243 PolarHBondContact O-N 2.78Å; L243-F245 VanDerWaalsContact C-N 3.34Å; L243-F245 PolarHBondContact O-N 3.49Å; L243-L246 PolarHBondContact O-N 3.45Å; L243-V247 HydrophobicContact CD1-CG2 4.41Å; L243-V247 WeakPolarHBondContact O-CB 3.13Å; L243-V247 VanDerWaalsContact O-CG2 3.3Å; L243-V247 WeakPolarHBondContact O-CG2 3.38Å; L243-V247 PolarHBondContact O-N 3.38Å |
| 244 | A | 86.1 | Confident | 80 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 49% | 0.488 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L240 A248 | L240-A244 WeakPolarHBondContact O-CB 3.13Å; L240-A244 PolarHBondContact O-N 2.79Å; A244-A248 WeakPolarHBondContact O-CB 3.17Å; A244-A248 PolarHBondContact O-N 3.28Å |
| 245 | F | 83.4 | Confident | 80.3 | Confident | 151 Ų | 151 | 94.9 Ų | 94.9 | 66% | 0.662 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.4 | -39.6 | 174.6 | -177.1 | -99.6 | 0 | 0 | 0 | 112.4 | V241 I242 L243 A248 A249 | V241-F245 VanDerWaalsContact O-CB 3.28Å; V241-F245 WeakPolarHBondContact O-CB 3.31Å; V241-F245 PolarHBondContact O-N 2.79Å; I242-F245 PolarHBondContact O-N 3.23Å; L243-F245 VanDerWaalsContact C-N 3.34Å; L243-F245 PolarHBondContact O-N 3.49Å; F245-A248 PolarHBondContact O-N 3.4Å; F245-A249 VanDerWaalsContact O-CB 3.23Å; F245-A249 WeakPolarHBondContact O-CB 3.3Å; F245-A249 PolarHBondContact O-N 3.3Å |
| 246 | L | 82.4 | Confident | 79.8 | Confident | 97 Ų | 97 | 92.9 Ų | 92.9 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 173.4 | -75.3 | 170.1 | 0 | 0 | 0 | 111.1 | I242 L243 A249 V250 | I242-L246 HydrophobicContact CG2-CD1 4.07Å; I242-L246 WeakPolarHBondContact O-CB 3.29Å; I242-L246 VanDerWaalsContact O-CG 3.31Å; I242-L246 WeakPolarHBondContact O-CG 3.41Å; I242-L246 PolarHBondContact O-N 2.88Å; L243-L246 PolarHBondContact O-N 3.45Å; L246-A249 PolarHBondContact O-N 3.39Å; L246-V250 WeakPolarHBondContact O-CB 3.49Å; L246-V250 VanDerWaalsContact O-CG2 3.26Å; L246-V250 WeakPolarHBondContact O-CG2 3.12Å; L246-V250 PolarHBondContact O-N 3.47Å |
| 247 | V | 85.3 | Confident | 79.5 | Confident | 91 Ų | 91 | 95.1 Ų | 95.1 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L243 Y251 | L243-V247 HydrophobicContact CD1-CG2 4.41Å; L243-V247 WeakPolarHBondContact O-CB 3.13Å; L243-V247 VanDerWaalsContact O-CG2 3.3Å; L243-V247 WeakPolarHBondContact O-CG2 3.38Å; L243-V247 PolarHBondContact O-N 3.38Å; V247-Y251 WeakPolarHBondContact O-CB 3.44Å; V247-Y251 PolarHBondContact O-N 2.88Å |
| 248 | A | 81.3 | Confident | 78.9 | Confident | 43 Ų | 43 | 99.3 Ų | 99.3 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A244 F245 Y251 I252 | A244-A248 WeakPolarHBondContact O-CB 3.17Å; A244-A248 PolarHBondContact O-N 3.28Å; F245-A248 PolarHBondContact O-N 3.4Å; A248-Y251 PolarHBondContact O-N 3.43Å; A248-I252 WeakPolarHBondContact O-CB 3.37Å; A248-I252 WeakPolarHBondContact O-CD1 3.35Å; A248-I252 WeakPolarHBondContact O-CG1 3.1Å; A248-I252 PolarHBondContact O-N 2.85Å |
| 249 | A | 76 | Confident | 78.1 | Confident | 37 Ų | 37 | 101.9 Ų | 101.9 | 31% | 0.306 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -52.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F245 L246 Y251 I252 T253 | F245-A249 VanDerWaalsContact O-CB 3.23Å; F245-A249 WeakPolarHBondContact O-CB 3.3Å; F245-A249 PolarHBondContact O-N 3.3Å; L246-A249 PolarHBondContact O-N 3.39Å; A249-Y251 VanDerWaalsContact C-N 3.33Å; A249-Y251 PolarHBondContact O-N 2.78Å; A249-I252 PolarHBondContact O-N 3.39Å; A249-T253 WeakPolarHBondContact O-CG2 3.49Å; A249-T253 PolarHBondContact O-N 3.43Å |
| 250 | V | 80.5 | Confident | 77.1 | Confident | 90 Ų | 90 | 98.8 Ų | 98.8 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.4 | -48.7 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | L246 I252 T253 Y254 | L246-V250 WeakPolarHBondContact O-CB 3.49Å; L246-V250 VanDerWaalsContact O-CG2 3.26Å; L246-V250 WeakPolarHBondContact O-CG2 3.12Å; L246-V250 PolarHBondContact O-N 3.47Å; V250-I252 PolarHBondContact O-N 3.3Å; V250-T253 PolarHBondContact O-N 2.83Å; V250-T253 VanDerWaalsContact O-N 3.15Å; V250-T253 PolarHBondContact O-OG1 2.8Å; V250-Y254 WeakPolarHBondContact O-CB 3.31Å; V250-Y254 PolarHBondContact O-N 2.81Å |
| 251 | Y | 82.8 | Confident | 75.8 | Confident | 139 Ų | 139 | 102.4 Ų | 102.4 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 177 | -178.3 | -103.5 | 0 | 0 | 0 | 112.6 | V247 A248 A249 T253 Y254 H255 | V247-Y251 WeakPolarHBondContact O-CB 3.44Å; V247-Y251 PolarHBondContact O-N 2.88Å; A248-Y251 PolarHBondContact O-N 3.43Å; A249-Y251 VanDerWaalsContact C-N 3.33Å; A249-Y251 PolarHBondContact O-N 2.78Å; Y251-T253 VanDerWaalsContact C-N 3.31Å; Y251-T253 PolarHBondContact O-N 3.36Å; Y251-Y254 PolarHBondContact O-N 3.2Å; Y251-H255 HydrophobicContact CE2-CB 4.48Å; Y251-H255 AromaticContact CE2-CD2 4Å; Y251-H255 AromaticContact CZ-CD2 3.63Å; Y251-H255 WeakPolarHBondContact O-CB 3.23Å; Y251-H255 PolarHBondContact O-N 3.08Å; Y251-H255 PolarHBondContact OH-CD2 2.85Å; Y251-H255 VanDerWaalsContact OH-CD2 3.3Å |
| 252 | I | 77.2 | Confident | 74.3 | Confident | 97 Ų | 97 | 103 Ų | 103 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 175.5 | -70.8 | 162.5 | 0 | 0 | 0 | 110.7 | A248 A249 V250 N256 I260 | A248-I252 WeakPolarHBondContact O-CB 3.37Å; A248-I252 WeakPolarHBondContact O-CD1 3.35Å; A248-I252 WeakPolarHBondContact O-CG1 3.1Å; A248-I252 PolarHBondContact O-N 2.85Å; A249-I252 PolarHBondContact O-N 3.39Å; V250-I252 PolarHBondContact O-N 3.3Å; I252-N256 WeakPolarHBondContact O-CB 3.23Å; I252-N256 PolarHBondContact O-N 3.49Å; I252-N256 PolarHBondContact O-ND2 2.82Å; I252-N256 VanDerWaalsContact O-ND2 3.08Å; I252-I260 HydrophobicContact CG2-CD1 4.34Å; I252-I260 WeakPolarHBondContact O-CD1 3.37Å |
| 253 | T | 71 | Confident | 73.2 | Confident | 62 Ų | 62 | 105.7 Ų | 105.7 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 177.5 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | A249 V250 Y251 I260 | A249-T253 WeakPolarHBondContact O-CG2 3.49Å; A249-T253 PolarHBondContact O-N 3.43Å; V250-T253 PolarHBondContact O-N 2.83Å; V250-T253 VanDerWaalsContact O-N 3.15Å; V250-T253 PolarHBondContact O-OG1 2.8Å; Y251-T253 VanDerWaalsContact C-N 3.31Å; Y251-T253 PolarHBondContact O-N 3.36Å; T253-I260 HydrophobicContact CG2-CB 4.24Å; T253-I260 HydrophobicContact CG2-CG1 4.12Å; T253-I260 HydrophobicContact CG2-CG2 3.67Å |
| 254 | Y | 75.2 | Confident | 72 | Confident | 160 Ų | 160 | 105.3 Ų | 105.3 | 63% | 0.627 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -79.2 | -51 | -174.2 | 174.5 | -101.5 | 0 | 0 | 0 | 112 | V250 Y251 N256 K257 | V250-Y254 WeakPolarHBondContact O-CB 3.31Å; V250-Y254 PolarHBondContact O-N 2.81Å; Y251-Y254 PolarHBondContact O-N 3.2Å; Y254-N256 PolarHBondContact O-N 3.29Å; Y254-K257 WeakPolarHBondContact O-CA 3.23Å; Y254-K257 WeakPolarHBondContact O-CB 3.35Å; Y254-K257 PolarHBondContact O-N 3.29Å; Y254-K257 VanDerWaalsContact O-N 3.11Å |
| 255 | H | 76.6 | Confident | 70.5 | Confident | 120 Ų | 120 | 105.3 Ų | 105.3 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -31 | -179.7 | -168.4 | -69.4 | 0 | 0 | 0 | 111.4 | Y251 K257 | Y251-H255 HydrophobicContact CE2-CB 4.48Å; Y251-H255 AromaticContact CE2-CD2 4Å; Y251-H255 AromaticContact CZ-CD2 3.63Å; Y251-H255 WeakPolarHBondContact O-CB 3.23Å; Y251-H255 PolarHBondContact O-N 3.08Å; Y251-H255 PolarHBondContact OH-CD2 2.85Å; Y251-H255 VanDerWaalsContact OH-CD2 3.3Å; H255-K257 VanDerWaalsContact C-N 3.34Å; H255-K257 PolarHBondContact O-N 3.15Å |
| 256 | N | 68.1 | Low | 68.9 | Low | 58 Ų | 58 | 100.4 Ų | 100.4 | 31% | 0.31 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 55.8 | 171.8 | -64.3 | -86.5 | 0 | 0 | 0 | 111.3 | I252 Y254 R258 K259 I260 | I252-N256 WeakPolarHBondContact O-CB 3.23Å; I252-N256 PolarHBondContact O-N 3.49Å; I252-N256 PolarHBondContact O-ND2 2.82Å; I252-N256 VanDerWaalsContact O-ND2 3.08Å; Y254-N256 PolarHBondContact O-N 3.29Å; N256-R258 PolarHBondContact O-N 2.79Å; N256-K259 HydrophobicContact CB-CB 4.08Å; N256-K259 PolarHBondContact O-N 3.3Å; N256-I260 HydrophobicContact CB-CD1 3.63Å; N256-I260 PolarHBondContact O-N 2.84Å |
| 257 | K | 69.3 | Low | 67.7 | Low | 177 Ų | 177 | 103.2 Ų | 103.2 | 77% | 0.77 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -13.6 | -173.5 | -153.5 | 170.9 | -173 | 172.1 | 0 | 117.4 | Y254 H255 | Y254-K257 WeakPolarHBondContact O-CA 3.23Å; Y254-K257 WeakPolarHBondContact O-CB 3.35Å; Y254-K257 PolarHBondContact O-N 3.29Å; Y254-K257 VanDerWaalsContact O-N 3.11Å; H255-K257 VanDerWaalsContact C-N 3.34Å; H255-K257 PolarHBondContact O-N 3.15Å |
| 258 | R | 64 | Low | 66.2 | Low | 215 Ų | 215 | 104.4 Ų | 104.4 | 81% | 0.811 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | -15 | 174.3 | -162.9 | 171.1 | -177.1 | 170.2 | 1.2 | 114.7 | N256 L262 | N256-R258 PolarHBondContact O-N 2.79Å; R258-L262 WeakPolarHBondContact O-CD1 3.42Å; R258-L262 WeakPolarHBondContact O-CG 3.4Å |
| 259 | K | 62.5 | Low | 64.7 | Low | 140 Ų | 140 | 109.7 Ų | 109.7 | 61% | 0.609 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -32 | -175 | -59.9 | -177.8 | 175 | 174.6 | 0 | 114.9 | N256 L262 L263 | N256-K259 HydrophobicContact CB-CB 4.08Å; N256-K259 PolarHBondContact O-N 3.3Å; K259-L262 CarbonylContact O-C 3.25Å; K259-L262 VanDerWaalsContact O-C 3.25Å; K259-L262 WeakPolarHBondContact O-CA 3.44Å; K259-L262 WeakPolarHBondContact O-CB 3.13Å; K259-L262 PolarHBondContact O-N 2.81Å; K259-L263 PolarHBondContact O-N 3.38Å |
| 260 | I | 60.8 | Low | 63.6 | Low | 36 Ų | 36 | 115.5 Ų | 115.5 | 19% | 0.185 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -34.8 | -179.3 | -77.9 | 68.8 | 0 | 0 | 0 | 112.5 | I252 T253 N256 L262 L263 V264 | I252-I260 HydrophobicContact CG2-CD1 4.34Å; I252-I260 WeakPolarHBondContact O-CD1 3.37Å; T253-I260 HydrophobicContact CG2-CB 4.24Å; T253-I260 HydrophobicContact CG2-CG1 4.12Å; T253-I260 HydrophobicContact CG2-CG2 3.67Å; N256-I260 HydrophobicContact CB-CD1 3.63Å; N256-I260 PolarHBondContact O-N 2.84Å; I260-L262 PolarHBondContact O-N 2.78Å; I260-L263 HydrophobicContact CD1-CD1 4.15Å; I260-L263 HydrophobicContact CG1-CD1 3.93Å; I260-L263 PolarHBondContact O-N 3.43Å; I260-V264 PolarHBondContact O-N 3.48Å |
| 261 | F | 57.5 | Low | 62.4 | Low | 159 Ų | 159 | 116.1 Ų | 116.1 | 70% | 0.697 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -54.8 | -41.4 | 165.3 | -164.1 | -95.8 | 0 | 0 | 0 | 109.8 | L263 Q265 | F261-L263 PolarHBondContact O-N 2.87Å; F261-Q265 VanDerWaalsContact CE1-OE1 3.23Å; F261-Q265 WeakPolarHBondContact O-CB 3.35Å; F261-Q265 PolarHBondContact O-N 2.81Å |
| 262 | L | 54.1 | Low | 61.1 | Low | 82 Ų | 82 | 111.5 Ų | 111.5 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.1 | -11.6 | 169.8 | -73.3 | 178.7 | 0 | 0 | 0 | 115.8 | R258 K259 I260 S266 | R258-L262 WeakPolarHBondContact O-CD1 3.42Å; R258-L262 WeakPolarHBondContact O-CG 3.4Å; K259-L262 CarbonylContact O-C 3.25Å; K259-L262 VanDerWaalsContact O-C 3.25Å; K259-L262 WeakPolarHBondContact O-CA 3.44Å; K259-L262 WeakPolarHBondContact O-CB 3.13Å; K259-L262 PolarHBondContact O-N 2.81Å; I260-L262 PolarHBondContact O-N 2.78Å; L262-S266 VanDerWaalsContact O-CA 3.31Å; L262-S266 WeakPolarHBondContact O-CA 3.17Å; L262-S266 WeakPolarHBondContact O-CB 3.12Å; L262-S266 PolarHBondContact O-N 3.31Å; L262-S266 PolarHBondContact O-OG 2.86Å |
| 263 | L | 58.4 | Low | 59.9 | Low | 106 Ų | 106 | 113.5 Ų | 113.5 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -84.1 | -43.2 | 171.2 | -85 | 158.5 | 0 | 0 | 0 | 110.7 | K259 I260 F261 R267 | K259-L263 PolarHBondContact O-N 3.38Å; I260-L263 HydrophobicContact CD1-CD1 4.15Å; I260-L263 HydrophobicContact CG1-CD1 3.93Å; I260-L263 PolarHBondContact O-N 3.43Å; F261-L263 PolarHBondContact O-N 2.87Å; L263-R267 PolarHBondContact O-N 2.97Å |
| 264 | V | 58.9 | Low | 58.7 | Low | 92 Ų | 92 | 115.4 Ų | 115.4 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 171.2 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | I260 | I260-V264 PolarHBondContact O-N 3.48Å |
| 265 | Q | 54.5 | Low | 57.6 | Low | 59 Ų | 59 | 112 Ų | 112 | 28% | 0.276 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.5 | -44.9 | 178 | -173.1 | 177.9 | -3.2 | 0 | 0 | 112.8 | F261 R267 R268 W269 | F261-Q265 VanDerWaalsContact CE1-OE1 3.23Å; F261-Q265 WeakPolarHBondContact O-CB 3.35Å; F261-Q265 PolarHBondContact O-N 2.81Å; Q265-R267 VanDerWaalsContact C-N 3.35Å; Q265-R267 PolarHBondContact O-N 3.3Å; Q265-R268 WeakPolarHBondContact O-CA 2.94Å; Q265-R268 VanDerWaalsContact O-CB 3.29Å; Q265-R268 WeakPolarHBondContact O-CB 3.29Å; Q265-R268 PolarHBondContact O-N 3.31Å; Q265-W269 PolarHBondContact O-N 3.38Å |
| 266 | S | 51 | Low | 56.5 | Low | 49 Ų | 49 | 115.6 Ų | 115.6 | 34% | 0.343 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.9 | -17.4 | -174.4 | 74.5 | 0 | 0 | 0 | 0 | 114.9 | L262 R268 W269 K270 | L262-S266 VanDerWaalsContact O-CA 3.31Å; L262-S266 WeakPolarHBondContact O-CA 3.17Å; L262-S266 WeakPolarHBondContact O-CB 3.12Å; L262-S266 PolarHBondContact O-N 3.31Å; L262-S266 PolarHBondContact O-OG 2.86Å; S266-R268 PolarHBondContact O-N 2.85Å; S266-W269 PolarHBondContact O-N 3.11Å; S266-W269 VanDerWaalsContact O-N 3.1Å; S266-K270 WeakPolarHBondContact O-CB 3.28Å; S266-K270 PolarHBondContact O-N 2.79Å |
| 267 | R | 56 | Low | 55.8 | Low | 155 Ų | 155 | 120.1 Ų | 120.1 | 59% | 0.585 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -50.7 | -50.9 | 161.1 | -98.9 | -177.9 | 172.1 | -97.1 | 9.8 | 109.9 | L263 Q265 W269 E271 | L263-R267 PolarHBondContact O-N 2.97Å; Q265-R267 VanDerWaalsContact C-N 3.35Å; Q265-R267 PolarHBondContact O-N 3.3Å; R267-W269 VanDerWaalsContact C-N 3.26Å; R267-W269 PolarHBondContact O-N 2.88Å; R267-E271 WeakPolarHBondContact O-CB 3.09Å; R267-E271 VanDerWaalsContact O-CG 3.27Å; R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 3.14Å |
| 268 | R | 53.9 | Low | 55.1 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 44% | 0.442 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.6 | -21.7 | 177.8 | -165 | 160.6 | -179.5 | 70.8 | 6.2 | 115 | W11 Q265 S266 | W11-R268 HydrophobicContact CH2-CB 3.37Å; W11-R268 HydrophobicContact CH2-CG 3.53Å; W11-R268 HydrophobicContact CZ2-CB 4.29Å; W11-R268 HydrophobicContact CZ2-CG 4.13Å; W11-R268 HydrophobicContact CZ3-CB 3.93Å; W11-R268 HydrophobicContact CZ3-CG 4.04Å; Q265-R268 WeakPolarHBondContact O-CA 2.94Å; Q265-R268 VanDerWaalsContact O-CB 3.29Å; Q265-R268 WeakPolarHBondContact O-CB 3.29Å; Q265-R268 PolarHBondContact O-N 3.31Å; S266-R268 PolarHBondContact O-N 2.85Å |
| 269 | W | 50.1 | Low | 54.7 | Low | 153 Ų | 153 | 111.4 Ų | 111.4 | 58% | 0.58 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -103.4 | -33.9 | -174.2 | -66.5 | 44.7 | 0 | 0 | 0 | 112.3 | Q265 S266 R267 G272 L273 | Q265-W269 PolarHBondContact O-N 3.38Å; S266-W269 PolarHBondContact O-N 3.11Å; S266-W269 VanDerWaalsContact O-N 3.1Å; R267-W269 VanDerWaalsContact C-N 3.26Å; R267-W269 PolarHBondContact O-N 2.88Å; W269-G272 PolarHBondContact O-N 2.9Å; W269-L273 WeakPolarHBondContact O-CG 3.14Å; W269-L273 PolarHBondContact O-N 3.42Å |
| 270 | K | 52.7 | Low | 54.7 | Low | 160 Ų | 160 | 111.5 Ų | 111.5 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.2 | -42.7 | 173.4 | -172.7 | -175.6 | 179.6 | -172.3 | 0 | 111 | S266 G272 C274 | S266-K270 WeakPolarHBondContact O-CB 3.28Å; S266-K270 PolarHBondContact O-N 2.79Å; K270-G272 VanDerWaalsContact C-N 3.3Å; K270-G272 PolarHBondContact O-N 3.16Å; K270-C274 PolarHBondContact O-N 2.87Å |
| 271 | E | 55 | Low | 54.3 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 48% | 0.481 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.3 | -33.8 | 175.3 | -68.3 | 159.5 | -160.2 | 0 | 0 | 111.5 | R267 | R267-E271 WeakPolarHBondContact O-CB 3.09Å; R267-E271 VanDerWaalsContact O-CG 3.27Å; R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 3.14Å |
| 272 | G | 56.6 | Low | 54.5 | Low | 42 Ų | 42 | 121.8 Ų | 121.8 | 43% | 0.433 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.6 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W269 K270 S275 | W269-G272 PolarHBondContact O-N 2.9Å; K270-G272 VanDerWaalsContact C-N 3.3Å; K270-G272 PolarHBondContact O-N 3.16Å; G272-S275 WeakPolarHBondContact O-CB 3.16Å; G272-S275 PolarHBondContact O-N 2.97Å; G272-S275 VanDerWaalsContact O-N 3.16Å |
| 273 | L | 51.1 | Low | 54.9 | Low | 138 Ų | 138 | 128.2 Ų | 128.2 | 72% | 0.723 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.6 | -31.8 | -174.8 | -70.6 | 166.5 | 0 | 0 | 0 | 113.1 | W269 S275 R276 | W269-L273 WeakPolarHBondContact O-CG 3.14Å; W269-L273 PolarHBondContact O-N 3.42Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 2.73Å; L273-R276 PolarHBondContact O-N 3.44Å |
| 274 | C | 47.5 | Very low | 55.2 | Low | 102 Ų | 102 | 130.8 Ų | 130.8 | 69% | 0.689 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -76.3 | -10.8 | 170.7 | -66.9 | 0 | 0 | 0 | 0 | 113.4 | K270 R276 N277 | K270-C274 PolarHBondContact O-N 2.87Å; C274-R276 PolarHBondContact O-N 3.32Å; C274-R276 VanDerWaalsContact O-N 3.17Å; C274-N277 PolarHBondContact O-N 2.93Å |
| 275 | S | 52 | Low | 55.5 | Low | 89 Ų | 89 | 132.5 Ų | 132.5 | 62% | 0.622 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -67 | -9.2 | 170.5 | -161.7 | 0 | 0 | 0 | 0 | 112.8 | G272 L273 N277 N278 | G272-S275 WeakPolarHBondContact O-CB 3.16Å; G272-S275 PolarHBondContact O-N 2.97Å; G272-S275 VanDerWaalsContact O-N 3.16Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 2.73Å; S275-N277 PolarHBondContact O-N 2.9Å; S275-N278 PolarHBondContact O-N 3.36Å |
| 276 | R | 52.3 | Low | 55.9 | Low | 195 Ų | 195 | 138.3 Ų | 138.3 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -67.9 | 21.1 | 165.8 | -148.8 | -171.4 | 172.9 | 161.9 | -1.6 | 114.1 | L273 C274 N278 V279 | L273-R276 PolarHBondContact O-N 3.44Å; C274-R276 PolarHBondContact O-N 3.32Å; C274-R276 VanDerWaalsContact O-N 3.17Å; R276-N278 PolarHBondContact O-N 3.42Å; R276-V279 HydrophobicContact CG-CG2 3.96Å; R276-V279 PolarHBondContact O-N 3.33Å; R276-V279 VanDerWaalsContact O-N 3.12Å |
| 277 | N | 53.6 | Low | 56.4 | Low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -65.6 | -11.3 | 158.9 | -162.2 | 78.9 | 0 | 0 | 0 | 112.2 | C274 S275 V279 | C274-N277 PolarHBondContact O-N 2.93Å; S275-N277 PolarHBondContact O-N 2.9Å; N277-V279 VanDerWaalsContact C-N 3.26Å; N277-V279 PolarHBondContact O-N 3.39Å |
| 278 | N | 54.1 | Low | 56.6 | Low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | trans | -91 | 54.7 | 157.9 | -154.5 | -87.5 | 0 | 0 | 0 | 111.3 | S275 R276 E280 | S275-N278 PolarHBondContact O-N 3.36Å; R276-N278 PolarHBondContact O-N 3.42Å; N278-E280 PolarHBondContact O-N 3.49Å | ||
| 279 | V | 56.4 | Low | 56.9 | Low | 79 Ų | 79 | 135.2 Ų | 135.2 | 48% | 0.479 | 66% | 0.659 | S | S | . | * | trans | -75.1 | 80.6 | 137.8 | -179.1 | 0 | 0 | 0 | 0 | 105.3 | R276 N277 Y281 | R276-V279 HydrophobicContact CG-CG2 3.96Å; R276-V279 PolarHBondContact O-N 3.33Å; R276-V279 VanDerWaalsContact O-N 3.12Å; N277-V279 VanDerWaalsContact C-N 3.26Å; N277-V279 PolarHBondContact O-N 3.39Å; V279-Y281 PolarHBondContact O-N 2.9Å | ||
| 280 | E | 61.5 | Low | 57.5 | Low | 142 Ų | 142 | 134.8 Ų | 134.8 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | trans | -52.7 | 124.2 | 152.9 | 178.3 | 176.5 | -141.9 | 0 | 0 | 106.3 | N278 R282 | N278-E280 PolarHBondContact O-N 3.49Å; E280-R282 PolarHBondContact O-N 3.35Å | ||
| 281 | Y | 52.7 | Low | 58.2 | Low | 205 Ų | 205 | 131 Ų | 131 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -67.5 | 82.8 | 165.8 | -84 | -97.7 | 0 | 0 | 0 | 107.4 | V279 R283 | V279-Y281 PolarHBondContact O-N 2.9Å; Y281-R283 PolarHBondContact O-N 3.43Å | ||
| 282 | R | 62.8 | Low | 58.6 | Low | 206 Ų | 206 | 130.8 Ų | 130.8 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | trans | -56.5 | 93.2 | 149.8 | -125.8 | -171.1 | -172 | -93.6 | 0.5 | 104.4 | E280 L284 | E280-R282 PolarHBondContact O-N 3.35Å; R282-L284 PolarHBondContact O-N 2.79Å; R282-L284 VanDerWaalsContact O-N 3.08Å | ||
| 283 | R | 62.4 | Low | 58.7 | Low | 217 Ų | 217 | 133.6 Ų | 133.6 | 82% | 0.819 | 67% | 0.673 | S | S | * | * | trans | -48.1 | 121.9 | 169.3 | -72.4 | -178.6 | 167.2 | 94.9 | -2.4 | 104.8 | Y281 D285 | Y281-R283 PolarHBondContact O-N 3.43Å; R283-D285 PolarHBondContact O-N 3.42Å | ||
| 284 | L | 64.9 | Low | 59.2 | Low | 160 Ų | 160 | 130.9 Ų | 130.9 | 84% | 0.838 | 67% | 0.665 | S | S | * | * | trans | -53.5 | 113.8 | 176.7 | -174.7 | 73.1 | 0 | 0 | 0 | 105.4 | R282 Q286 | R282-L284 PolarHBondContact O-N 2.79Å; R282-L284 VanDerWaalsContact O-N 3.08Å; L284-Q286 WeakPolarHBondContact O-CG 3.3Å; L284-Q286 PolarHBondContact O-N 3.14Å | ||
| 285 | D | 64.1 | Low | 59.8 | Low | 128 Ų | 128 | 131.4 Ų | 131.4 | 68% | 0.684 | 66% | 0.661 | S | S | * | * | trans | -58.6 | 120.8 | -164.3 | -145.9 | -32.4 | 0 | 0 | 0 | 107.1 | R283 N287 | R283-D285 PolarHBondContact O-N 3.42Å; D285-N287 PolarHBondContact O-N 2.89Å | ||
| 286 | Q | 63.1 | Low | 60.1 | Low | 182 Ų | 182 | 134.8 Ų | 134.8 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | trans | -80.6 | 48.1 | -168.2 | -74.9 | -166.4 | -31.9 | 0 | 0 | 111 | L284 V288 | L284-Q286 WeakPolarHBondContact O-CG 3.3Å; L284-Q286 PolarHBondContact O-N 3.14Å; Q286-V288 PolarHBondContact O-N 2.99Å | ||
| 287 | N | 62.1 | Low | 60.7 | Low | 57 Ų | 57 | 132.8 Ų | 132.8 | 31% | 0.305 | 67% | 0.665 | S | S | . | * | trans | -72.4 | 75.4 | 176.4 | -162.2 | 29.7 | 0 | 0 | 0 | 108.7 | D285 N289 E290 A291 | D285-N287 PolarHBondContact O-N 2.89Å; N287-N289 PolarHBondContact O-N 2.63Å; N287-N289 PolarHBondContact OD1-ND2 3.13Å; N287-N289 PolarHBondContact OD1-OD1 3.37Å; N287-E290 HydrophobicContact CB-CB 4.2Å; N287-E290 WeakPolarHBondContact ND2-CB 3.29Å; N287-E290 PolarHBondContact ND2-OE2 3.41Å; N287-E290 WeakPolarHBondContact O-CB 3.48Å; N287-E290 PolarHBondContact O-N 3.5Å; N287-A291 PolarHBondContact O-N 3.48Å; N287-A291 VanDerWaalsContact O-N 3.16Å | ||
| 288 | V | 60 | Low | 61 | Low | 104 Ų | 104 | 129.8 Ų | 129.8 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -57.5 | -20 | -176.1 | -68.2 | 0 | 0 | 0 | 0 | 113.7 | Q286 E290 M292 | Q286-V288 PolarHBondContact O-N 2.99Å; V288-E290 VanDerWaalsContact C-N 3.32Å; V288-M292 WeakPolarHBondContact O-CB 3.33Å; V288-M292 PolarHBondContact O-N 3.16Å |
| 289 | N | 59.3 | Low | 61.3 | Low | 95 Ų | 95 | 132.1 Ų | 132.1 | 51% | 0.508 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -79 | -10.7 | 174 | 63.9 | 79.4 | 0 | 0 | 0 | 114.5 | N287 | N287-N289 PolarHBondContact O-N 2.63Å; N287-N289 PolarHBondContact OD1-ND2 3.13Å; N287-N289 PolarHBondContact OD1-OD1 3.37Å |
| 290 | E | 63.6 | Low | 61.6 | Low | 143 Ų | 143 | 135 Ų | 135 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -101.4 | -36.7 | 172.7 | -177.7 | 172.4 | -163.2 | 0 | 0 | 110.8 | N287 V288 | N287-E290 HydrophobicContact CB-CB 4.2Å; N287-E290 WeakPolarHBondContact ND2-CB 3.29Å; N287-E290 PolarHBondContact ND2-OE2 3.41Å; N287-E290 WeakPolarHBondContact O-CB 3.48Å; N287-E290 PolarHBondContact O-N 3.5Å; V288-E290 VanDerWaalsContact C-N 3.32Å |
| 291 | A | 67.1 | Low | 61.5 | Low | 82 Ų | 82 | 137.3 Ų | 137.3 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.8 | -22.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N287 | N287-A291 PolarHBondContact O-N 3.48Å; N287-A291 VanDerWaalsContact O-N 3.16Å |
| 292 | M | 62.9 | Low | 62.1 | Low | 97 Ų | 97 | 135 Ų | 135 | 48% | 0.478 | 67% | 0.673 | S | S | . | * | trans | -132.5 | 79.1 | 176.1 | -73.6 | -177.1 | 61.4 | 0 | 0 | 112 | V288 S294 L295 | V288-M292 WeakPolarHBondContact O-CB 3.33Å; V288-M292 PolarHBondContact O-N 3.16Å; M292-S294 PolarHBondContact O-N 3.12Å; M292-L295 HydrophobicContact CE-CD1 4.34Å; M292-L295 PolarHBondContact O-N 3.06Å | ||
| 293 | P | 59.7 | Low | 61.5 | Low | 102 Ų | 102 | 138.1 Ų | 138.1 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -63.5 | -22.8 | 178.6 | 25.4 | -34.7 | 0 | 0 | 0 | 113.7 | L295 | P293-L295 VanDerWaalsContact C-N 3.32Å; P293-L295 PolarHBondContact O-N 2.81Å |
| 294 | S | 61.2 | Low | 61.5 | Low | 81 Ų | 81 | 134.2 Ų | 134.2 | 57% | 0.566 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -68.9 | -22.3 | -179 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | M292 K296 M297 | M292-S294 PolarHBondContact O-N 3.12Å; S294-K296 PolarHBondContact O-N 3.29Å; S294-K296 VanDerWaalsContact O-N 3.1Å; S294-M297 WeakPolarHBondContact O-CB 3.32Å; S294-M297 PolarHBondContact O-N 3.35Å |
| 295 | L | 60.5 | Low | 61.3 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 59% | 0.592 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -73 | -3.3 | -173.6 | -155.3 | 69.4 | 0 | 0 | 0 | 114 | M292 P293 | M292-L295 HydrophobicContact CE-CD1 4.34Å; M292-L295 PolarHBondContact O-N 3.06Å; P293-L295 VanDerWaalsContact C-N 3.32Å; P293-L295 PolarHBondContact O-N 2.81Å |
| 296 | K | 58.2 | Low | 61.1 | Low | 159 Ų | 159 | 133.1 Ų | 133.1 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -84.9 | -22.5 | 169.2 | -72.8 | 179.2 | 177.7 | 171.9 | 0 | 113.3 | S294 T298 | S294-K296 PolarHBondContact O-N 3.29Å; S294-K296 VanDerWaalsContact O-N 3.1Å; K296-T298 VanDerWaalsContact C-N 3.35Å; K296-T298 PolarHBondContact O-N 3.23Å |
| 297 | M | 63.8 | Low | 61 | Low | 153 Ų | 153 | 130.2 Ų | 130.2 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -19 | -170.5 | -159.4 | 73.1 | -172.4 | 0 | 0 | 114.2 | S294 | S294-M297 WeakPolarHBondContact O-CB 3.32Å; S294-M297 PolarHBondContact O-N 3.35Å |
| 298 | T | 60.4 | Low | 61 | Low | 91 Ų | 91 | 134.8 Ų | 134.8 | 56% | 0.558 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 1.4 | -170.5 | 45.6 | 0 | 0 | 0 | 0 | 114.8 | K296 | K296-T298 VanDerWaalsContact C-N 3.35Å; K296-T298 PolarHBondContact O-N 3.23Å |
| 299 | K | 60.3 | Low | 61 | Low | 179 Ų | 179 | 136.9 Ų | 136.9 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -11.7 | 178.7 | -73.7 | -163.7 | 172.3 | -170.6 | 0 | 114.7 | Y301 | K299-Y301 VanDerWaalsContact C-N 3.33Š|
| 300 | D | 62.3 | Low | 61.1 | Low | 138 Ų | 138 | 139.9 Ų | 139.9 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 0.9 | 179.6 | -56.8 | -37 | 0 | 0 | 0 | 113.2 | I302 | D300-I302 PolarHBondContact O-N 3.21Å; D300-I302 VanDerWaalsContact O-N 3.14Å |
| 301 | Y | 61 | Low | 61 | Low | 192 Ų | 192 | 139.6 Ų | 139.6 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | trans | -78.6 | 92.5 | 171.2 | -86.8 | -86.8 | 0 | 0 | 0 | 111.1 | K299 | K299-Y301 VanDerWaalsContact C-N 3.33Š| ||
| 302 | I | 63.8 | Low | 60.4 | Low | 156 Ų | 156 | 144.4 Ų | 144.4 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | trans | -87 | 134.4 | 167 | -55.1 | 176.4 | 0 | 0 | 0 | 108.4 | D300 | D300-I302 PolarHBondContact O-N 3.21Å; D300-I302 VanDerWaalsContact O-N 3.14Å | ||
| 303 | F | 51.3 | Low | 60.2 | Low | 272 Ų | 272 | 148.7 Ų | 148.7 | 100% | 1.193 | 74% | 0.735 | S | S | * | * | trans | -88.6 | 0 | 170.2 | -69.3 | -84.7 | 0 | 0 | 0 | 111.1 |
Retrieved 303 of 303 residues in 128.2 ms
(Link to these results)