| 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 | 25.3 | Very low | 28.7 | Very low | 227 Ų | 227 | 149.1 Ų | 149.1 | 100% | 1.118 | 71% | 0.707 | S | S | * | * | 0 | 115.4 | 0 | -79.4 | -168.7 | 172.1 | 0 | 0 | 107.3 | |||||
| 2 | T | 30.6 | Very low | 29.3 | Very low | 130 Ų | 130 | 147 Ų | 147 | 80% | 0.798 | 70% | 0.696 | S | S | * | * | 59.3 | 123.6 | 73.5 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 3 | G | 34.4 | Very low | 29.5 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | cis | 131 | -165.4 | 10.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | R | 39.5 | Very low | 30 | Very low | 248 Ų | 248 | 145.7 Ų | 145.7 | 94% | 0.936 | 69% | 0.688 | S | S | * | * | trans | 67.6 | 177 | 177.2 | -58.4 | 178.4 | 166.1 | 179.2 | -5.7 | 115.3 | ||||
| 5 | H | 26.7 | Very low | 30.5 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | trans | -72.8 | 129.9 | -165.2 | -79 | -114.4 | 0 | 0 | 0 | 115.7 | H7 | H5-H7 AromaticContact ND1-NE2 3.76Š| ||
| 6 | H | 30.8 | Very low | 30.7 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 65% | 0.653 | 70% | 0.697 | S | S | * | * | trans | -154.7 | 143.8 | 160.7 | -87.6 | -76.7 | 0 | 0 | 0 | 108.1 | Y8 | H6-Y8 WeakPolarHBondContact O-CD2 3.49Š| ||
| 7 | H | 24.8 | Very low | 31 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 46% | 0.458 | 70% | 0.695 | S | S | . | * | cis | 65 | 81.6 | 7.8 | -32.4 | -68.7 | 0 | 0 | 0 | 114.4 | H5 | H5-H7 AromaticContact ND1-NE2 3.76Š| ||
| 8 | Y | 19.8 | Very low | 30.9 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 63% | 0.627 | 70% | 0.695 | S | S | * | * | cis | 60.1 | 104.8 | 25.4 | -59 | -58.7 | 0 | 0 | 0 | 113.4 | H6 H11 H12 | H6-Y8 WeakPolarHBondContact O-CD2 3.49Å; Y8-H11 VanDerWaalsContact C-N 3.34Å; Y8-H11 CarbonylContact O-C 3.56Å; Y8-H11 VanDerWaalsContact O-CA 3.29Å; Y8-H11 WeakPolarHBondContact O-CA 3.5Å; Y8-H12 VanDerWaalsContact C-N 3.27Å; Y8-H12 PolarHBondContact O-N 3.28Å | ||
| 9 | H | 24.7 | Very low | 30.7 | Very low | 75 Ų | 75 | 149.8 Ų | 149.8 | 35% | 0.347 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | cis | -51.4 | -79.4 | -2.9 | 13.9 | 33.6 | 0 | 0 | 0 | 115.7 | H11 H12 H13 | H9-H11 PolarHBondContact CE1-O 3.2Å; H9-H11 PolarHBondContact ND1-N 3.34Å; H9-H11 PolarHBondContact ND1-O 3.48Å; H9-H12 PolarHBondContact ND1-N 3.49Å; H9-H13 WeakPolarHBondContact CB-O 3.45Å; H9-H13 PolarHBondContact CD2-N 2.92Å; H9-H13 VanDerWaalsContact CD2-N 3.33Å; H9-H13 PolarHBondContact CD2-O 2.96Å; H9-H13 PolarHBondContact ND1-N 3.02Å |
| 10 | Y | 23.8 | Very low | 31.1 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 76% | 0.757 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | cis | 56.2 | 17.9 | -8.1 | -16.5 | -67.4 | 0 | 0 | 0 | 119.1 | ||
| 11 | H | 35.1 | Very low | 31.5 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 63% | 0.625 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.1 | 89.7 | -173.1 | -55.4 | -93.3 | 0 | 0 | 0 | 117.9 | Y8 H9 | Y8-H11 VanDerWaalsContact C-N 3.34Å; Y8-H11 CarbonylContact O-C 3.56Å; Y8-H11 VanDerWaalsContact O-CA 3.29Å; Y8-H11 WeakPolarHBondContact O-CA 3.5Å; H9-H11 PolarHBondContact CE1-O 3.2Å; H9-H11 PolarHBondContact ND1-N 3.34Å; H9-H11 PolarHBondContact ND1-O 3.48Å |
| 12 | H | 35.9 | Very low | 32.1 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 57% | 0.574 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 109.3 | -49.8 | 179 | -143 | -107.9 | 0 | 0 | 0 | 122 | Y8 H9 Y15 | Y8-H12 VanDerWaalsContact C-N 3.27Å; Y8-H12 PolarHBondContact O-N 3.28Å; H9-H12 PolarHBondContact ND1-N 3.49Å; H12-Y15 WeakPolarHBondContact O-CD2 3.47Å; H12-Y15 VanDerWaalsContact O-CE2 3.31Å; H12-Y15 WeakPolarHBondContact O-CE2 3.31Å |
| 13 | H | 32.2 | Very low | 32.4 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | trans | -140.5 | 92.4 | -175.5 | -59.5 | -90 | 0 | 0 | 0 | 117.6 | H9 | H9-H13 WeakPolarHBondContact CB-O 3.45Å; H9-H13 PolarHBondContact CD2-N 2.92Å; H9-H13 VanDerWaalsContact CD2-N 3.33Å; H9-H13 PolarHBondContact CD2-O 2.96Å; H9-H13 PolarHBondContact ND1-N 3.02Å | ||
| 14 | Q | 35.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 75% | 0.748 | 62% | 0.618 | S | S | * | * | -128.8 | 66.7 | 104.8 | -66.5 | -167.8 | -19 | 0 | 0 | 110.5 | |||||
| 15 | Y | 37.8 | Very low | 32.7 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 63% | 0.627 | 60% | 0.597 | S | S | * | * | trans | -61.1 | 156.3 | 149.9 | -75.1 | -100.2 | 0 | 0 | 0 | 109.4 | H12 | H12-Y15 WeakPolarHBondContact O-CD2 3.47Å; H12-Y15 VanDerWaalsContact O-CE2 3.31Å; H12-Y15 WeakPolarHBondContact O-CE2 3.31Å | ||
| 16 | K | 34.5 | Very low | 33.1 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 89% | 0.887 | 59% | 0.587 | S | S | * | * | trans | 69.3 | 92.7 | -176.4 | -53.5 | 179.4 | 179.9 | 179.4 | 0 | 114.8 | ||||
| 17 | C | 35.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 66% | 0.662 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -156.8 | -51 | 131.7 | -128.8 | 0 | 0 | 0 | 0 | 113 | Y19 S20 | C17-Y19 PolarHBondContact O-N 3.43Å; C17-S20 WeakPolarHBondContact O-CA 3.29Å; C17-S20 WeakPolarHBondContact O-CB 3.37Å; C17-S20 PolarHBondContact O-N 3.38Å |
| 18 | F | 29 | Very low | 34 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 69% | 0.689 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -16.8 | -168.2 | -95.9 | -98.8 | 0 | 0 | 0 | 117.2 | S20 L21 F22 | F18-S20 PolarHBondContact O-N 3Å; F18-L21 HydrophobicContact CD1-CB 3.91Å; F18-L21 HydrophobicContact CD1-CD1 3.95Å; F18-L21 HydrophobicContact CE1-CB 4.18Å; F18-L21 HydrophobicContact CE1-CD1 3.37Å; F18-L21 HydrophobicContact CE1-CG 4.4Å; F18-L21 HydrophobicContact CE2-CD1 4.4Å; F18-L21 HydrophobicContact CZ-CD1 3.62Å; F18-L21 WeakPolarHBondContact O-CA 3.44Å; F18-L21 PolarHBondContact O-N 3Å; F18-F22 PolarHBondContact O-N 3.32Å |
| 19 | Y | 27.3 | Very low | 34.7 | Very low | 188 Ų | 188 | 126.9 Ų | 126.9 | 74% | 0.737 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.1 | -9.6 | 161.2 | -116.3 | -76.6 | 0 | 0 | 0 | 112.6 | C17 L21 N23 | C17-Y19 PolarHBondContact O-N 3.43Å; Y19-L21 VanDerWaalsContact C-N 3.34Å; Y19-N23 VanDerWaalsContact O-CB 3.22Å; Y19-N23 WeakPolarHBondContact O-CB 3.4Å; Y19-N23 PolarHBondContact O-N 2.92Å; Y19-N23 PolarHBondContact O-ND2 2.89Å |
| 20 | S | 39.2 | Very low | 35.2 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 48% | 0.476 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.7 | -25.9 | 160.8 | -160.7 | 0 | 0 | 0 | 0 | 111.9 | C17 F18 I24 | C17-S20 WeakPolarHBondContact O-CA 3.29Å; C17-S20 WeakPolarHBondContact O-CB 3.37Å; C17-S20 PolarHBondContact O-N 3.38Å; F18-S20 PolarHBondContact O-N 3Å; S20-I24 WeakPolarHBondContact O-CB 3.4Å; S20-I24 VanDerWaalsContact O-CD1 3.29Å; S20-I24 WeakPolarHBondContact O-CD1 3.32Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 3.39Å |
| 21 | L | 39.5 | Very low | 35.6 | Very low | 80 Ų | 80 | 120.9 Ų | 120.9 | 42% | 0.419 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -87.7 | -33.5 | -178.2 | -109.2 | 166.6 | 0 | 0 | 0 | 113.9 | F18 Y19 I24 L25 | F18-L21 HydrophobicContact CD1-CB 3.91Å; F18-L21 HydrophobicContact CD1-CD1 3.95Å; F18-L21 HydrophobicContact CE1-CB 4.18Å; F18-L21 HydrophobicContact CE1-CD1 3.37Å; F18-L21 HydrophobicContact CE1-CG 4.4Å; F18-L21 HydrophobicContact CE2-CD1 4.4Å; F18-L21 HydrophobicContact CZ-CD1 3.62Å; F18-L21 WeakPolarHBondContact O-CA 3.44Å; F18-L21 PolarHBondContact O-N 3Å; Y19-L21 VanDerWaalsContact C-N 3.34Å; L21-I24 HydrophobicContact CD2-CG2 4.45Å; L21-I24 PolarHBondContact O-N 3.21Å; L21-L25 WeakPolarHBondContact O-CB 3.16Å; L21-L25 PolarHBondContact O-N 3.3Å |
| 22 | F | 37 | Very low | 35.5 | Very low | 133 Ų | 133 | 120.3 Ų | 120.3 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -75.7 | -32.4 | 165.7 | -158.5 | -90.7 | 0 | 0 | 0 | 112.3 | F18 L25 W26 | F18-F22 PolarHBondContact O-N 3.32Å; F22-L25 PolarHBondContact O-N 3.3Å; F22-W26 WeakPolarHBondContact O-CB 3.38Å; F22-W26 PolarHBondContact O-N 2.8Å |
| 23 | N | 36.4 | Very low | 35.3 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.4 | -40.5 | 164.9 | -83.4 | -63.6 | 0 | 0 | 0 | 111.1 | Y19 W26 F27 | Y19-N23 VanDerWaalsContact O-CB 3.22Å; Y19-N23 WeakPolarHBondContact O-CB 3.4Å; Y19-N23 PolarHBondContact O-N 2.92Å; Y19-N23 PolarHBondContact O-ND2 2.89Å; N23-W26 CarbonylContact O-C 3.48Å; N23-W26 PolarHBondContact O-N 3.37Å; N23-F27 WeakPolarHBondContact O-CA 3.34Å; N23-F27 WeakPolarHBondContact O-CB 3.3Å; N23-F27 PolarHBondContact O-N 2.97Å |
| 24 | I | 45.5 | Very low | 35.2 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.3 | -35.3 | 175.9 | -78.9 | 165.4 | 0 | 0 | 0 | 112 | S20 L21 F27 F28 | S20-I24 WeakPolarHBondContact O-CB 3.4Å; S20-I24 VanDerWaalsContact O-CD1 3.29Å; S20-I24 WeakPolarHBondContact O-CD1 3.32Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 3.39Å; L21-I24 HydrophobicContact CD2-CG2 4.45Å; L21-I24 PolarHBondContact O-N 3.21Å; I24-F27 PolarHBondContact O-N 3.43Å; I24-F28 HydrophobicContact CG2-CD2 3.5Å; I24-F28 HydrophobicContact CG2-CE2 3.57Å; I24-F28 WeakPolarHBondContact O-CB 3.43Å; I24-F28 VanDerWaalsContact O-CD2 3.29Å; I24-F28 WeakPolarHBondContact O-CD2 3.23Å; I24-F28 PolarHBondContact O-N 3.25Å |
| 25 | L | 36.6 | Very low | 34.8 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.5 | -38.8 | 173.6 | -110.6 | 163 | 0 | 0 | 0 | 112.2 | L21 F22 L29 | L21-L25 WeakPolarHBondContact O-CB 3.16Å; L21-L25 PolarHBondContact O-N 3.3Å; F22-L25 PolarHBondContact O-N 3.3Å; L25-L29 VanDerWaalsContact O-CB 3.31Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.27Å; L25-L29 PolarHBondContact O-N 2.67Å |
| 26 | W | 33.3 | Very low | 34.4 | Very low | 142 Ų | 142 | 116 Ų | 116 | 54% | 0.538 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75 | -26.8 | 172.1 | -153.2 | 77.5 | 0 | 0 | 0 | 112.4 | F22 N23 F30 | F22-W26 WeakPolarHBondContact O-CB 3.38Å; F22-W26 PolarHBondContact O-N 2.8Å; N23-W26 CarbonylContact O-C 3.48Å; N23-W26 PolarHBondContact O-N 3.37Å; W26-F30 HydrophobicContact CE3-CB 4.16Å; W26-F30 HydrophobicContact CE3-CD2 4.49Å; W26-F30 HydrophobicContact CE3-CG 4.38Å; W26-F30 AromaticContact CH2-CD2 3.62Å; W26-F30 HydrophobicContact CH2-CD2 3.62Å; W26-F30 AromaticContact CH2-CE2 3.86Å; W26-F30 HydrophobicContact CH2-CE2 3.86Å; W26-F30 HydrophobicContact CH2-CG 4.27Å; W26-F30 HydrophobicContact CZ2-CD2 4.2Å; W26-F30 HydrophobicContact CZ3-CB 4.24Å; W26-F30 HydrophobicContact CZ3-CD1 4.49Å; W26-F30 AromaticContact CZ3-CD2 3.79Å; W26-F30 HydrophobicContact CZ3-CD2 3.79Å; W26-F30 HydrophobicContact CZ3-CE2 4.19Å; W26-F30 AromaticContact CZ3-CG 3.96Å; W26-F30 HydrophobicContact CZ3-CG 3.96Å; W26-F30 WeakPolarHBondContact O-CA 3.48Å; W26-F30 WeakPolarHBondContact O-CB 3.23Å; W26-F30 PolarHBondContact O-N 2.71Å |
| 27 | F | 38.4 | Very low | 34 | Very low | 135 Ų | 135 | 110.9 Ų | 110.9 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -78.7 | -30 | 175.5 | -152.5 | -108.1 | 0 | 0 | 0 | 110.9 | N23 I24 I31 | N23-F27 WeakPolarHBondContact O-CA 3.34Å; N23-F27 WeakPolarHBondContact O-CB 3.3Å; N23-F27 PolarHBondContact O-N 2.97Å; I24-F27 PolarHBondContact O-N 3.43Å; F27-I31 HydrophobicContact CD1-CD1 3.53Å; F27-I31 HydrophobicContact CD1-CG1 4.28Å; F27-I31 HydrophobicContact CE1-CD1 3.68Å; F27-I31 HydrophobicContact CE1-CG1 4.45Å; F27-I31 HydrophobicContact CG-CD1 4.44Å; F27-I31 WeakPolarHBondContact O-CA 3.45Å; F27-I31 WeakPolarHBondContact O-CB 3.28Å; F27-I31 WeakPolarHBondContact O-CD1 3.13Å; F27-I31 WeakPolarHBondContact O-CG1 3.31Å; F27-I31 PolarHBondContact O-N 2.78Å |
| 28 | F | 37.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 110.3 Ų | 110.3 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -76 | -39.4 | 167 | -83.1 | -57.8 | 0 | 0 | 0 | 112.2 | I24 F30 I31 E32 | I24-F28 HydrophobicContact CG2-CD2 3.5Å; I24-F28 HydrophobicContact CG2-CE2 3.57Å; I24-F28 WeakPolarHBondContact O-CB 3.43Å; I24-F28 VanDerWaalsContact O-CD2 3.29Å; I24-F28 WeakPolarHBondContact O-CD2 3.23Å; I24-F28 PolarHBondContact O-N 3.25Å; F28-F30 VanDerWaalsContact C-N 3.29Å; F28-F30 PolarHBondContact O-N 2.92Å; F28-I31 PolarHBondContact O-N 3.22Å; F28-E32 WeakPolarHBondContact O-CB 3.34Å; F28-E32 PolarHBondContact O-N 3.41Å |
| 29 | L | 32.9 | Very low | 33.4 | Very low | 100 Ų | 100 | 112.5 Ų | 112.5 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -27.3 | 171.5 | -73.4 | 170.1 | 0 | 0 | 0 | 112.6 | L25 F33 | L25-L29 VanDerWaalsContact O-CB 3.31Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.27Å; L25-L29 PolarHBondContact O-N 2.67Å; L29-F33 WeakPolarHBondContact O-CB 3.45Å; L29-F33 PolarHBondContact O-N 3.47Å |
| 30 | F | 35 | Very low | 33.5 | Very low | 85 Ų | 85 | 107.3 Ų | 107.3 | 37% | 0.373 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -86.7 | -28.1 | 175.2 | -166.4 | -106.6 | 0 | 0 | 0 | 112.5 | W26 F28 I34 | W26-F30 HydrophobicContact CE3-CB 4.16Å; W26-F30 HydrophobicContact CE3-CD2 4.49Å; W26-F30 HydrophobicContact CE3-CG 4.38Å; W26-F30 AromaticContact CH2-CD2 3.62Å; W26-F30 HydrophobicContact CH2-CD2 3.62Å; W26-F30 AromaticContact CH2-CE2 3.86Å; W26-F30 HydrophobicContact CH2-CE2 3.86Å; W26-F30 HydrophobicContact CH2-CG 4.27Å; W26-F30 HydrophobicContact CZ2-CD2 4.2Å; W26-F30 HydrophobicContact CZ3-CB 4.24Å; W26-F30 HydrophobicContact CZ3-CD1 4.49Å; W26-F30 AromaticContact CZ3-CD2 3.79Å; W26-F30 HydrophobicContact CZ3-CD2 3.79Å; W26-F30 HydrophobicContact CZ3-CE2 4.19Å; W26-F30 AromaticContact CZ3-CG 3.96Å; W26-F30 HydrophobicContact CZ3-CG 3.96Å; W26-F30 WeakPolarHBondContact O-CA 3.48Å; W26-F30 WeakPolarHBondContact O-CB 3.23Å; W26-F30 PolarHBondContact O-N 2.71Å; F28-F30 VanDerWaalsContact C-N 3.29Å; F28-F30 PolarHBondContact O-N 2.92Å; F30-I34 HydrophobicContact CD1-CD1 3.76Å; F30-I34 HydrophobicContact CE1-CD1 3.38Å; F30-I34 HydrophobicContact CE1-CG1 4.4Å; F30-I34 HydrophobicContact CG-CD1 4.48Å; F30-I34 HydrophobicContact CZ-CD1 3.83Å; F30-I34 VanDerWaalsContact O-CB 3.28Å; F30-I34 WeakPolarHBondContact O-CB 3.4Å; F30-I34 WeakPolarHBondContact O-CG1 3.29Å; F30-I34 PolarHBondContact O-N 3.31Å |
| 31 | I | 34.2 | Very low | 33 | Very low | 57 Ų | 57 | 110.8 Ų | 110.8 | 29% | 0.292 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70 | -43.6 | 165.8 | -77.3 | 169 | 0 | 0 | 0 | 110.1 | F27 F28 I34 Q35 | F27-I31 HydrophobicContact CD1-CD1 3.53Å; F27-I31 HydrophobicContact CD1-CG1 4.28Å; F27-I31 HydrophobicContact CE1-CD1 3.68Å; F27-I31 HydrophobicContact CE1-CG1 4.45Å; F27-I31 HydrophobicContact CG-CD1 4.44Å; F27-I31 WeakPolarHBondContact O-CA 3.45Å; F27-I31 WeakPolarHBondContact O-CB 3.28Å; F27-I31 WeakPolarHBondContact O-CD1 3.13Å; F27-I31 WeakPolarHBondContact O-CG1 3.31Å; F27-I31 PolarHBondContact O-N 2.78Å; F28-I31 PolarHBondContact O-N 3.22Å; I31-I34 PolarHBondContact O-N 2.87Å; I31-Q35 HydrophobicContact CG2-CG 4.36Å; I31-Q35 VanDerWaalsContact O-CB 3.27Å; I31-Q35 WeakPolarHBondContact O-CB 3.41Å; I31-Q35 VanDerWaalsContact O-CG 3.25Å; I31-Q35 WeakPolarHBondContact O-CG 3.47Å; I31-Q35 PolarHBondContact O-N 2.94Å |
| 32 | E | 31.5 | Very low | 32.3 | Very low | 123 Ų | 123 | 112.6 Ų | 112.6 | 58% | 0.575 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -49 | 169.4 | -77.3 | -152.3 | 145.8 | 0 | 0 | 109.9 | F28 I34 Q35 T36 | F28-E32 WeakPolarHBondContact O-CB 3.34Å; F28-E32 PolarHBondContact O-N 3.41Å; E32-I34 VanDerWaalsContact C-N 3.27Å; E32-I34 PolarHBondContact O-N 3.22Å; E32-Q35 CarbonylContact O-C 3.45Å; E32-Q35 WeakPolarHBondContact O-CA 3.34Å; E32-Q35 PolarHBondContact O-N 2.84Å; E32-T36 WeakPolarHBondContact O-CB 3.39Å; E32-T36 WeakPolarHBondContact O-CG2 3.39Å; E32-T36 PolarHBondContact O-N 2.84Å; E32-T36 PolarHBondContact O-OG1 2.7Å |
| 33 | F | 33 | Very low | 31.8 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 54% | 0.544 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.2 | -37 | 178.7 | -164 | -104.5 | 0 | 0 | 0 | 113.3 | L29 T36 I37 | L29-F33 WeakPolarHBondContact O-CB 3.45Å; L29-F33 PolarHBondContact O-N 3.47Å; F33-T36 WeakPolarHBondContact CA-OG1 3Å; F33-T36 PolarHBondContact O-OG1 2.97Å; F33-I37 HydrophobicContact CD1-CD1 4.41Å; F33-I37 HydrophobicContact CE1-CD1 3.97Å; F33-I37 HydrophobicContact CZ-CD1 4.46Å; F33-I37 WeakPolarHBondContact O-CG1 3.22Å; F33-I37 PolarHBondContact O-N 3.24Å; F33-I37 VanDerWaalsContact O-N 3.09Å |
| 34 | I | 29 | Very low | 31.4 | Very low | 103 Ų | 103 | 112.1 Ų | 112.1 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.9 | -23.2 | 175 | -73.2 | 178.6 | 0 | 0 | 0 | 112.9 | F30 I31 E32 | F30-I34 HydrophobicContact CD1-CD1 3.76Å; F30-I34 HydrophobicContact CE1-CD1 3.38Å; F30-I34 HydrophobicContact CE1-CG1 4.4Å; F30-I34 HydrophobicContact CG-CD1 4.48Å; F30-I34 HydrophobicContact CZ-CD1 3.83Å; F30-I34 VanDerWaalsContact O-CB 3.28Å; F30-I34 WeakPolarHBondContact O-CB 3.4Å; F30-I34 WeakPolarHBondContact O-CG1 3.29Å; F30-I34 PolarHBondContact O-N 3.31Å; I31-I34 PolarHBondContact O-N 2.87Å; E32-I34 VanDerWaalsContact C-N 3.27Å; E32-I34 PolarHBondContact O-N 3.22Å |
| 35 | Q | 28.9 | Very low | 30.6 | Very low | 144 Ų | 144 | 113.8 Ų | 113.8 | 67% | 0.673 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -87.5 | -20.1 | 172.1 | -71.1 | -179.9 | -0.6 | 0 | 0 | 113 | I31 E32 | I31-Q35 HydrophobicContact CG2-CG 4.36Å; I31-Q35 VanDerWaalsContact O-CB 3.27Å; I31-Q35 WeakPolarHBondContact O-CB 3.41Å; I31-Q35 VanDerWaalsContact O-CG 3.25Å; I31-Q35 WeakPolarHBondContact O-CG 3.47Å; I31-Q35 PolarHBondContact O-N 2.94Å; E32-Q35 CarbonylContact O-C 3.45Å; E32-Q35 WeakPolarHBondContact O-CA 3.34Å; E32-Q35 PolarHBondContact O-N 2.84Å |
| 36 | T | 29.3 | Very low | 30 | Very low | 99 Ų | 99 | 114.5 Ų | 114.5 | 61% | 0.607 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -92.9 | -13.4 | 174.8 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | E32 F33 D38 | E32-T36 WeakPolarHBondContact O-CB 3.39Å; E32-T36 WeakPolarHBondContact O-CG2 3.39Å; E32-T36 PolarHBondContact O-N 2.84Å; E32-T36 PolarHBondContact O-OG1 2.7Å; F33-T36 WeakPolarHBondContact CA-OG1 3Å; F33-T36 PolarHBondContact O-OG1 2.97Å; T36-D38 PolarHBondContact O-N 3.49Å |
| 37 | I | 25.9 | Very low | 29.5 | Very low | 96 Ų | 96 | 112 Ų | 112 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -76 | 65.7 | 150.9 | -56.5 | 177.6 | 0 | 0 | 0 | 107.5 | F33 | F33-I37 HydrophobicContact CD1-CD1 4.41Å; F33-I37 HydrophobicContact CE1-CD1 3.97Å; F33-I37 HydrophobicContact CZ-CD1 4.46Å; F33-I37 WeakPolarHBondContact O-CG1 3.22Å; F33-I37 PolarHBondContact O-N 3.24Å; F33-I37 VanDerWaalsContact O-N 3.09Å |
| 38 | D | 26.7 | Very low | 29.2 | Very low | 86 Ų | 86 | 110 Ų | 110 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | trans | -58.5 | 155.9 | 166.5 | 172.2 | 35.6 | 0 | 0 | 0 | 109.4 | T36 T40 E41 | T36-D38 PolarHBondContact O-N 3.49Å; D38-T40 PolarHBondContact O-N 2.94Å; D38-T40 WeakPolarHBondContact OD2-CB 3.44Å; D38-T40 WeakPolarHBondContact OD2-CG2 3.29Å; D38-T40 PolarHBondContact OD2-OG1 3.44Å; D38-E41 PolarHBondContact O-N 3.29Å | ||
| 39 | R | 24.4 | Very low | 28.8 | Very low | 203 Ų | 203 | 106.9 Ų | 106.9 | 77% | 0.766 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -1.3 | -178 | -68 | 168.7 | 73 | -179.9 | 2.5 | 112.8 | N43 | R39-N43 VanDerWaalsContact O-CG 3.3Å; R39-N43 PolarHBondContact O-N 3.5Å; R39-N43 VanDerWaalsContact O-N 3.16Å; R39-N43 PolarHBondContact O-ND2 2.88Å |
| 40 | T | 29.9 | Very low | 28.7 | Very low | 79 Ų | 79 | 103.1 Ų | 103.1 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 174 | 41.7 | 0 | 0 | 0 | 0 | 113.8 | D38 L42 N43 E44 | D38-T40 PolarHBondContact O-N 2.94Å; D38-T40 WeakPolarHBondContact OD2-CB 3.44Å; D38-T40 WeakPolarHBondContact OD2-CG2 3.29Å; D38-T40 PolarHBondContact OD2-OG1 3.44Å; T40-L42 VanDerWaalsContact C-N 3.3Å; T40-L42 PolarHBondContact O-N 3.34Å; T40-N43 CarbonylContact O-C 3.57Å; T40-N43 WeakPolarHBondContact O-CA 3.03Å; T40-N43 WeakPolarHBondContact O-CB 3.12Å; T40-N43 PolarHBondContact O-N 3.33Å; T40-E44 PolarHBondContact O-N 3.25Å |
| 41 | E | 27.3 | Very low | 28.4 | Very low | 142 Ų | 142 | 106.6 Ų | 106.6 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.3 | -32.2 | 176.3 | -76 | -151.5 | 149.4 | 0 | 0 | 112.5 | D38 N43 E44 L45 | D38-E41 PolarHBondContact O-N 3.29Å; E41-N43 PolarHBondContact O-N 2.85Å; E41-E44 PolarHBondContact O-N 3.47Å; E41-L45 PolarHBondContact O-N 2.86Å |
| 42 | L | 25.5 | Very low | 28.2 | Very low | 117 Ų | 117 | 108.3 Ų | 108.3 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.5 | -22.8 | 172.6 | -134.1 | 78.8 | 0 | 0 | 0 | 112.5 | T40 | T40-L42 VanDerWaalsContact C-N 3.3Å; T40-L42 PolarHBondContact O-N 3.34Å |
| 43 | N | 27.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 103.7 Ų | 103.7 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -83.7 | -36.8 | 173.4 | -75.8 | -23.2 | 0 | 0 | 0 | 112.5 | R39 T40 E41 L45 N46 | R39-N43 VanDerWaalsContact O-CG 3.3Å; R39-N43 PolarHBondContact O-N 3.5Å; R39-N43 VanDerWaalsContact O-N 3.16Å; R39-N43 PolarHBondContact O-ND2 2.88Å; T40-N43 CarbonylContact O-C 3.57Å; T40-N43 WeakPolarHBondContact O-CA 3.03Å; T40-N43 WeakPolarHBondContact O-CB 3.12Å; T40-N43 PolarHBondContact O-N 3.33Å; E41-N43 PolarHBondContact O-N 2.85Å; N43-L45 PolarHBondContact O-N 3.06Å; N43-N46 PolarHBondContact O-N 3.46Å; N43-N46 VanDerWaalsContact O-N 3.07Å |
| 44 | E | 28 | Very low | 28.9 | Very low | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -26.1 | 175.1 | -68.6 | -139.6 | 162.2 | 0 | 0 | 112.6 | T40 E41 N46 M47 | T40-E44 PolarHBondContact O-N 3.25Å; E41-E44 PolarHBondContact O-N 3.47Å; E44-N46 VanDerWaalsContact C-N 3.32Å; E44-N46 PolarHBondContact O-N 3.41Å; E44-M47 HydrophobicContact CB-SD 4.22Å; E44-M47 HydrophobicContact CG-SD 4.17Å |
| 45 | L | 26.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 99.7 Ų | 99.7 | 55% | 0.55 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -8.8 | 173.2 | -94.1 | 159.2 | 0 | 0 | 0 | 115.3 | E41 N43 | E41-L45 PolarHBondContact O-N 2.86Å; N43-L45 PolarHBondContact O-N 3.06Å |
| 46 | N | 24.5 | Very low | 30.6 | Very low | 113 Ų | 113 | 93.8 Ų | 93.8 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 10.2 | 178 | -78.6 | -19.1 | 0 | 0 | 0 | 113.4 | N43 E44 Y48 | N43-N46 PolarHBondContact O-N 3.46Å; N43-N46 VanDerWaalsContact O-N 3.07Å; E44-N46 VanDerWaalsContact C-N 3.32Å; E44-N46 PolarHBondContact O-N 3.41Å; N46-Y48 PolarHBondContact O-N 3.01Å |
| 47 | M | 23.8 | Very low | 31.8 | Very low | 89 Ų | 89 | 92.4 Ų | 92.4 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | trans | -81.1 | 54.6 | -170.8 | -70.6 | 175.9 | 53.5 | 0 | 0 | 114.9 | E44 R59 | E44-M47 HydrophobicContact CB-SD 4.22Å; E44-M47 HydrophobicContact CG-SD 4.17Å; M47-R59 HydrophobicContact CE-CB 3.3Å; M47-R59 HydrophobicContact CE-CG 3.74Å | ||
| 48 | Y | 30.5 | Very low | 33.6 | Very low | 93 Ų | 93 | 88.5 Ų | 88.5 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | trans | -143.1 | 48.5 | 159.5 | -127.4 | -87.3 | 0 | 0 | 0 | 111.9 | N46 P50 C53 Y58 P122 | N46-Y48 PolarHBondContact O-N 3.01Å; Y48-P50 WeakPolarHBondContact O-CD 3.29Å; Y48-P50 VanDerWaalsContact O-N 3.13Å; Y48-C53 VanDerWaalsContact CE1-SG 3.51Å; Y48-Y58 HydrophobicContact CE2-CE2 4.01Å; Y48-P122 PolarHBondContact OH-O 2.9Å | ||
| 49 | D | 29.4 | Very low | 35.7 | Very low | 69 Ų | 69 | 88.9 Ų | 88.9 | 37% | 0.369 | 43% | 0.432 | S | S | . | . | trans | -54 | 108.8 | 164.2 | 171 | 4.2 | 0 | 0 | 0 | 109.7 | M51 K52 | D49-M51 VanDerWaalsContact C-N 3.26Å; D49-M51 PolarHBondContact O-N 2.94Å; D49-M51 PolarHBondContact OD1-N 3.12Å; D49-K52 PolarHBondContact O-N 3.4Å; D49-K52 VanDerWaalsContact O-N 3.12Å; D49-K52 IonicContact OD2-NZ 3.59Å; D49-K52 PolarHBondContact OD2-NZ 3.33Å | ||
| 50 | P | 31.2 | Very low | 37.9 | Very low | 20 Ų | 20 | 80 Ų | 80 | 13% | 0.13 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -68.3 | -23.8 | -162.8 | -18.4 | 30.1 | 0 | 0 | 0 | 113.8 | Y48 K52 C53 C124 A302 F345 | Y48-P50 WeakPolarHBondContact O-CD 3.29Å; Y48-P50 VanDerWaalsContact O-N 3.13Å; P50-K52 PolarHBondContact O-N 3.42Å; P50-K52 VanDerWaalsContact O-N 3.08Å; P50-C53 PolarHBondContact O-N 2.89Å; P50-C124 HydrophobicContact CB-CB 4.43Å; P50-C124 VanDerWaalsContact CB-SG 3.6Å; P50-C124 PolarHBondContact O-SG 2.87Å; P50-A302 HydrophobicContact CB-CB 3.82Å; P50-A302 HydrophobicContact CG-CB 4.12Å; P50-F345 HydrophobicContact CB-CE2 3.61Å; P50-F345 HydrophobicContact CB-CZ 3.68Å; P50-F345 HydrophobicContact CG-CD2 4.38Å; P50-F345 HydrophobicContact CG-CE2 3.69Å; P50-F345 HydrophobicContact CG-CZ 4.11Å |
| 51 | M | 28.7 | Very low | 40.3 | Very low | 159 Ų | 159 | 83.3 Ų | 83.3 | 78% | 0.783 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -65.9 | -12.2 | 178.3 | -122.4 | -171.9 | -172.5 | 0 | 0 | 113 | D49 | D49-M51 VanDerWaalsContact C-N 3.26Å; D49-M51 PolarHBondContact O-N 2.94Å; D49-M51 PolarHBondContact OD1-N 3.12Å |
| 52 | K | 31.1 | Very low | 42.7 | Very low | 92 Ų | 92 | 79 Ų | 79 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -99.7 | 6 | -176.9 | -64.9 | -174.1 | 172.4 | 95.3 | 0 | 115.1 | D49 P50 S55 N57 | D49-K52 PolarHBondContact O-N 3.4Å; D49-K52 VanDerWaalsContact O-N 3.12Å; D49-K52 IonicContact OD2-NZ 3.59Å; D49-K52 PolarHBondContact OD2-NZ 3.33Å; P50-K52 PolarHBondContact O-N 3.42Å; P50-K52 VanDerWaalsContact O-N 3.08Å; K52-S55 WeakPolarHBondContact CA-OG 3.36Å; K52-S55 VanDerWaalsContact O-O 3.14Å; K52-N57 HydrophobicContact CB-CB 4.17Å; K52-N57 HydrophobicContact CD-CB 3.99Å; K52-N57 HydrophobicContact CG-CB 4.39Å |
| 53 | C | 42.6 | Very low | 45.6 | Very low | 26 Ų | 26 | 75.4 Ų | 75.4 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -32.6 | 177.1 | -77.8 | 0 | 0 | 0 | 0 | 114.6 | Y48 P50 | Y48-C53 VanDerWaalsContact CE1-SG 3.51Å; P50-C53 PolarHBondContact O-N 2.89Å |
| 54 | R | 36.9 | Very low | 48.2 | Very low | 109 Ų | 109 | 74.4 Ų | 74.4 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -9.9 | 171.3 | -145.1 | -179.9 | -163.6 | 169.6 | 6.6 | 112.8 | D143 | R54-D143 IonicContact CZ-OD2 3.96Å; R54-D143 IonicContact NH2-OD2 3.12Å; R54-D143 PolarHBondContact NH2-OD2 3.31Å |
| 55 | S | 41.9 | Very low | 50.8 | Low | 35 Ų | 35 | 69.1 Ų | 69.1 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 167.7 | 172.1 | 89.8 | 0 | 0 | 0 | 0 | 111.7 | K52 N57 N102 | K52-S55 WeakPolarHBondContact CA-OG 3.36Å; K52-S55 VanDerWaalsContact O-O 3.14Å; S55-N57 PolarHBondContact O-N 2.75Å; S55-N102 VanDerWaalsContact C-OD1 3.32Å; S55-N102 WeakPolarHBondContact CA-OD1 3.35Å |
| 56 | G | 50 | Low | 52.9 | Low | 20 Ų | 20 | 66.6 Ų | 66.6 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 11.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | N99 N102 | G56-N99 WeakPolarHBondContact CA-O 3.45Å; G56-N102 PolarHBondContact N-OD1 3.19Å |
| 57 | N | 56.2 | Low | 55.3 | Low | 69 Ų | 69 | 65 Ų | 65 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 25.6 | -168.2 | -86.4 | -41 | 0 | 0 | 0 | 115.4 | K52 S55 R59 | K52-N57 HydrophobicContact CB-CB 4.17Å; K52-N57 HydrophobicContact CD-CB 3.99Å; K52-N57 HydrophobicContact CG-CB 4.39Å; S55-N57 PolarHBondContact O-N 2.75Å; N57-R59 WeakPolarHBondContact O-CG 3.47Å; N57-R59 PolarHBondContact O-N 2.9Å; N57-R59 VanDerWaalsContact OD1-CZ 3.25Å; N57-R59 PolarHBondContact OD1-NH1 3.3Å; N57-R59 PolarHBondContact OD1-NH2 3.46Å |
| 58 | Y | 62 | Low | 57.8 | Low | 14 Ų | 14 | 63.4 Ų | 63.4 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | trans | -56.1 | 133.3 | 160.4 | 176.7 | -112.9 | 0 | 0 | 0 | 110.5 | Y48 G60 V62 C97 R98 P107 V121 | Y48-Y58 HydrophobicContact CE2-CE2 4.01Å; Y58-G60 WeakPolarHBondContact OH-CA 3.06Å; Y58-V62 WeakPolarHBondContact OH-CG2 3.49Å; Y58-C97 WeakPolarHBondContact CD1-O 3.1Å; Y58-C97 HydrophobicContact CE1-CB 4.34Å; Y58-C97 WeakPolarHBondContact CE1-O 3.12Å; Y58-R98 WeakPolarHBondContact O-CD 3.32Å; Y58-P107 HydrophobicContact CD1-CB 4.01Å; Y58-P107 HydrophobicContact CD1-CG 4.24Å; Y58-V121 HydrophobicContact CD1-CG1 4.33Å; Y58-V121 HydrophobicContact CD1-CG2 4.44Å; Y58-V121 HydrophobicContact CD2-CG1 3.72Å; Y58-V121 HydrophobicContact CE1-CG1 4.03Å; Y58-V121 HydrophobicContact CE1-CG2 3.83Å; Y58-V121 HydrophobicContact CE2-CG1 3.35Å; Y58-V121 HydrophobicContact CG-CG1 4.2Å | ||
| 59 | R | 70.7 | Confident | 60.4 | Low | 94 Ų | 94 | 61.1 Ų | 61.1 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | trans | -135.2 | 7.2 | -174 | -71.3 | -74.9 | -169.9 | -73.4 | -5.8 | 114.3 | M47 N57 R98 | M47-R59 HydrophobicContact CE-CB 3.3Å; M47-R59 HydrophobicContact CE-CG 3.74Å; N57-R59 WeakPolarHBondContact O-CG 3.47Å; N57-R59 PolarHBondContact O-N 2.9Å; N57-R59 VanDerWaalsContact OD1-CZ 3.25Å; N57-R59 PolarHBondContact OD1-NH1 3.3Å; N57-R59 PolarHBondContact OD1-NH2 3.46Å; R59-R98 PolarHBondContact O-NH2 2.95Å; R59-R98 VanDerWaalsContact O-NH2 3.14Å | ||
| 60 | G | 70.9 | Confident | 63 | Low | 17 Ų | 17 | 63.9 Ų | 63.9 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | trans | -64 | -179.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y58 R98 | Y58-G60 WeakPolarHBondContact OH-CA 3.06Å; G60-R98 VanDerWaalsContact O-CZ 3.31Å; G60-R98 PolarHBondContact O-NH1 2.86Å; G60-R98 PolarHBondContact O-NH2 3.18Å | ||
| 61 | K | 81.1 | Confident | 65.8 | Low | 148 Ų | 148 | 63 Ų | 63 | 64% | 0.643 | 33% | 0.33 | S | S | * | . | trans | -108.7 | 20.4 | -173.3 | -64.6 | 178.7 | -177.6 | 172.4 | 0 | 114.1 | Y96 | K61-Y96 VanDerWaalsContact C-CD1 3.47Å; K61-Y96 HydrophobicContact CB-CD1 4.07Å; K61-Y96 HydrophobicContact CB-CE1 3.77Å; K61-Y96 HydrophobicContact CG-CE1 4.2Å; K61-Y96 HydrophobicContact CG-CE2 4.27Å; K61-Y96 VanDerWaalsContact O-CD1 3.27Å; K61-Y96 WeakPolarHBondContact O-CD1 3.37Å; K61-Y96 WeakPolarHBondContact O-CE1 2.77Å | ||
| 62 | V | 78.3 | Confident | 68.8 | Low | 51 Ų | 51 | 58.9 Ų | 58.9 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | trans | -67.7 | 128.7 | 170.2 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | Y58 Y96 C97 V121 | Y58-V62 WeakPolarHBondContact OH-CG2 3.49Å; V62-Y96 CarbonylContact O-C 3.58Å; V62-Y96 VanDerWaalsContact O-CA 3.3Å; V62-Y96 WeakPolarHBondContact O-CA 3.41Å; V62-C97 PolarHBondContact O-N 3.3Å; V62-C97 PolarHBondContact O-SG 3.13Å; V62-V121 HydrophobicContact CB-CG2 4.5Å | ||
| 63 | N | 86 | Confident | 71.6 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | trans | -129.9 | 31.1 | -179.7 | 67.7 | -58.2 | 0 | 0 | 0 | 112.3 | C71 N95 Y96 | N63-C71 HydrophobicContact CB-CB 4.47Å; N63-C71 VanDerWaalsContact O-CB 3.23Å; N63-C71 WeakPolarHBondContact O-CB 3.33Å; N63-C71 PolarHBondContact O-N 3.13Å; N63-C71 PolarHBondContact O-SG 2.75Å; N63-N95 WeakPolarHBondContact CB-O 3.46Å; N63-N95 PolarHBondContact ND2-ND2 2.82Å; N63-Y96 HydrophobicContact CB-CD1 4.04Å | ||
| 64 | I | 81.9 | Confident | 73.8 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 42% | 0.415 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -133.5 | 135 | -179.9 | -50.3 | 179.9 | 0 | 0 | 0 | 108.2 | C71 C119 | I64-C71 PolarHBondContact N-SG 3.36Å; I64-C119 WeakPolarHBondContact O-CB 2.95Å; I64-C119 PolarHBondContact O-SG 3.23Å |
| 65 | A | 81.9 | Confident | 76.2 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | -72 | 164.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D67 G68 T69 V111 K117 Y118 | A65-D67 PolarHBondContact O-N 3.41Å; A65-G68 PolarHBondContact O-N 2.83Å; A65-T69 WeakPolarHBondContact CB-O 3.09Å; A65-T69 PolarHBondContact N-O 2.85Å; A65-V111 HydrophobicContact CB-CG1 4.13Å; A65-K117 HydrophobicContact CB-CB 3.74Å; A65-K117 HydrophobicContact CB-CD 4.14Å; A65-Y118 WeakPolarHBondContact CA-O 3.43Å | ||
| 66 | F | 71.3 | Confident | 78.3 | Confident | 52 Ų | 52 | 56 Ų | 56 | 23% | 0.228 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.9 | -177 | 81.7 | -90.8 | 0 | 0 | 0 | 114.1 | Y118 D120 D147 Q149 | F66-Y118 WeakPolarHBondContact CD1-O 3.31Å; F66-Y118 PolarHBondContact N-O 2.8Å; F66-D120 HydrophobicContact CB-CB 4.29Å; F66-D147 VanDerWaalsContact CD2-O 3.32Å; F66-D147 WeakPolarHBondContact CD2-O 3.31Å; F66-Q149 HydrophobicContact CE2-CG 3.97Å; F66-Q149 HydrophobicContact CZ-CG 4.4Å |
| 67 | D | 75.6 | Confident | 80 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 22.7 | 178.9 | 70.1 | -1 | 0 | 0 | 0 | 113.9 | A65 T69 K117 | A65-D67 PolarHBondContact O-N 3.41Å; D67-T69 PolarHBondContact O-N 2.76Å; D67-T69 WeakPolarHBondContact OD1-CB 3.39Å; D67-T69 PolarHBondContact OD1-N 3.39Å; D67-T69 PolarHBondContact OD1-OG1 3.4Å; D67-K117 VanDerWaalsContact CG-NZ 3.27Å; D67-K117 VanDerWaalsContact OD1-CD 3.29Å; D67-K117 WeakPolarHBondContact OD1-CD 3.26Å; D67-K117 IonicContact OD1-NZ 2.91Å; D67-K117 PolarHBondContact OD1-NZ 3.43Å; D67-K117 VanDerWaalsContact OD1-NZ 3.11Å; D67-K117 WeakPolarHBondContact OD2-CD 3.48Å; D67-K117 WeakPolarHBondContact OD2-CE 3.16Å; D67-K117 IonicContact OD2-NZ 2.66Å; D67-K117 PolarHBondContact OD2-NZ 3.39Å |
| 68 | G | 76.7 | Confident | 81.2 | Confident | 57 Ų | 57 | 58 Ų | 58 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 77.1 | -0.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A65 E70 | A65-G68 PolarHBondContact O-N 2.83Å; G68-E70 PolarHBondContact O-N 2.78Å |
| 69 | T | 83.3 | Confident | 82 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 124.1 | 176.6 | -45.8 | 0 | 0 | 0 | 0 | 110.3 | A65 D67 C71 V111 K117 | A65-T69 WeakPolarHBondContact CB-O 3.09Å; A65-T69 PolarHBondContact N-O 2.85Å; D67-T69 PolarHBondContact O-N 2.76Å; D67-T69 WeakPolarHBondContact OD1-CB 3.39Å; D67-T69 PolarHBondContact OD1-N 3.39Å; D67-T69 PolarHBondContact OD1-OG1 3.4Å; T69-C71 PolarHBondContact O-N 2.66Å; T69-V111 HydrophobicContact CG2-CB 3.83Å; T69-V111 HydrophobicContact CG2-CG1 3.88Å; T69-K117 PolarHBondContact OG1-NZ 3.12Å |
| 70 | E | 84.2 | Confident | 82.5 | Confident | 127 Ų | 127 | 58.3 Ų | 58.3 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | B | Isolated β-bridge | trans | -61.7 | 136 | 173.3 | -174.1 | 170.5 | -156.9 | 0 | 0 | 110.8 | G68 | G68-E70 PolarHBondContact O-N 2.78Å |
| 71 | C | 91.2 | Very high | 83.1 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 138.3 | 176.3 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | N63 I64 T69 N95 C109 | N63-C71 HydrophobicContact CB-CB 4.47Å; N63-C71 VanDerWaalsContact O-CB 3.23Å; N63-C71 WeakPolarHBondContact O-CB 3.33Å; N63-C71 PolarHBondContact O-N 3.13Å; N63-C71 PolarHBondContact O-SG 2.75Å; I64-C71 PolarHBondContact N-SG 3.36Å; T69-C71 PolarHBondContact O-N 2.66Å; C71-N95 HydrophobicContact CB-CB 4.18Å; C71-N95 WeakPolarHBondContact CB-O 3.36Å; C71-N95 VanDerWaalsContact O-CB 3.24Å; C71-N95 WeakPolarHBondContact O-CB 3.06Å; C71-N95 PolarHBondContact O-ND2 3.32Å; C71-C109 HydrophobicContact CB-CB 3.56Å; C71-C109 WeakPolarHBondContact CB-SG 3.28Å; C71-C109 WeakPolarHBondContact SG-CB 3.18Å; C71-C109 CovalentContact SG-SG 2.02Å; C71-C109 PolarHBondContact SG-SG 2.87Å |
| 72 | L | 90.8 | Very high | 83 | Confident | 71 Ų | 71 | 57 Ų | 57 | 37% | 0.372 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 153.5 | 173 | -56.8 | 176.7 | 0 | 0 | 0 | 110 | W74 H77 N95 V110 | L72-W74 PolarHBondContact O-N 3.29Å; L72-H77 VanDerWaalsContact CB-NE2 3.32Å; L72-H77 WeakPolarHBondContact CB-NE2 3.39Å; L72-H77 WeakPolarHBondContact CD1-NE2 3.46Å; L72-N95 WeakPolarHBondContact O-CB 3.49Å; L72-V110 PolarHBondContact N-O 2.76Å |
| 73 | D | 89.7 | Confident | 83.1 | Confident | 49 Ų | 49 | 59 Ų | 59 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 134.4 | -177.8 | -157 | -58.5 | 0 | 0 | 0 | 110.6 | I75 D76 K94 N95 | D73-I75 HydrophobicContact CB-CG2 4.24Å; D73-I75 PolarHBondContact O-N 2.59Å; D73-I75 VanDerWaalsContact OD1-CG2 3.32Å; D73-I75 WeakPolarHBondContact OD1-CG2 3.45Å; D73-I75 PolarHBondContact OD1-N 3.45Å; D73-D76 PolarHBondContact O-N 3.29Å; D73-K94 VanDerWaalsContact CG-C 3.43Å; D73-K94 VanDerWaalsContact OD1-O 3.13Å; D73-K94 WeakPolarHBondContact OD2-CA 3.37Å; D73-N95 HydrophobicContact CB-CB 4.48Å |
| 74 | W | 88.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -56.4 | -40.4 | -177.7 | -71.5 | 109.6 | 0 | 0 | 0 | 110.5 | L72 D76 H77 F80 Y81 W85 A90 H93 K94 Y96 R98 P100 W108 C109 V110 | L72-W74 PolarHBondContact O-N 3.29Å; W74-D76 PolarHBondContact O-N 3.1Å; W74-D76 VanDerWaalsContact O-N 3.14Å; W74-H77 CarbonylContact O-C 3.04Å; W74-H77 WeakPolarHBondContact O-CA 3.27Å; W74-H77 PolarHBondContact O-N 3.15Å; W74-F80 HydrophobicContact CE3-CB 4.43Å; W74-F80 HydrophobicContact CZ3-CB 4.11Å; W74-Y81 HydrophobicContact CB-CD1 4.25Å; W74-Y81 WeakPolarHBondContact O-CD1 3.32Å; W74-Y81 WeakPolarHBondContact O-CE1 3.1Å; W74-W85 HydrophobicContact CB-CZ3 4.32Å; W74-W85 AromaticContact CD1-CZ3 3.8Å; W74-W85 HydrophobicContact CD2-CH2 4.09Å; W74-W85 AromaticContact CD2-CZ3 3.6Å; W74-W85 HydrophobicContact CD2-CZ3 3.6Å; W74-W85 AromaticContact CE2-CH2 3.8Å; W74-W85 AromaticContact CE2-CZ3 3.78Å; W74-W85 HydrophobicContact CE3-CZ3 4.03Å; W74-W85 HydrophobicContact CG-CH2 4.47Å; W74-W85 AromaticContact CG-CZ3 3.69Å; W74-W85 HydrophobicContact CG-CZ3 3.69Å; W74-W85 HydrophobicContact CH2-CH2 4.43Å; W74-W85 HydrophobicContact CZ2-CH2 4.03Å; W74-W85 HydrophobicContact CZ2-CZ3 4.39Å; W74-W85 AromaticContact NE1-CZ3 3.93Å; W74-A90 HydrophobicContact CB-CB 4.07Å; W74-H93 HydrophobicContact CG-CB 4.5Å; W74-K94 PolarHBondContact N-O 2.85Å; W74-Y96 PolarHBondContact NE1-O 3.24Å; W74-R98 HydrophobicContact CZ2-CB 3.95Å; W74-R98 HydrophobicContact CZ2-CG 4.37Å; W74-P100 HydrophobicContact CH2-CG 4.42Å; W74-W108 HydrophobicContact CH2-CD2 4.19Å; W74-W108 AromaticContact CH2-CE3 3.54Å; W74-W108 HydrophobicContact CH2-CE3 3.54Å; W74-W108 HydrophobicContact CH2-CH2 4.02Å; W74-W108 AromaticContact CH2-CZ3 3.45Å; W74-W108 HydrophobicContact CH2-CZ3 3.45Å; W74-W108 VanDerWaalsContact CH2-CZ3 3.45Å; W74-W108 WeakPolarHBondContact CZ2-O 3.34Å; W74-W108 HydrophobicContact CZ3-CE3 4.01Å; W74-W108 AromaticContact CZ3-CH2 3.87Å; W74-W108 HydrophobicContact CZ3-CH2 3.87Å; W74-W108 AromaticContact CZ3-CZ3 3.43Å; W74-W108 HydrophobicContact CZ3-CZ3 3.43Å; W74-W108 VanDerWaalsContact CZ3-CZ3 3.43Å; W74-C109 HydrophobicContact CZ2-CB 4.47Å; W74-V110 HydrophobicContact CE3-CG2 3.83Å; W74-V110 HydrophobicContact CZ3-CG2 3.78Å |
| 75 | I | 87.7 | Confident | 82.8 | Confident | 30 Ų | 30 | 60 Ų | 60 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -55.5 | -35.7 | -172.8 | -169.2 | 54.3 | 0 | 0 | 0 | 113.8 | D73 H77 Y81 D87 A90 R91 | D73-I75 HydrophobicContact CB-CG2 4.24Å; D73-I75 PolarHBondContact O-N 2.59Å; D73-I75 VanDerWaalsContact OD1-CG2 3.32Å; D73-I75 WeakPolarHBondContact OD1-CG2 3.45Å; D73-I75 PolarHBondContact OD1-N 3.45Å; I75-H77 VanDerWaalsContact C-N 3.25Å; I75-H77 PolarHBondContact O-N 2.94Å; I75-Y81 PolarHBondContact O-OH 2.69Å; I75-D87 HydrophobicContact CD1-CB 4.08Å; I75-D87 WeakPolarHBondContact CD1-O 3.21Å; I75-A90 HydrophobicContact CD1-CB 4.37Å; I75-R91 HydrophobicContact CB-CG 4.16Å; I75-R91 HydrophobicContact CD1-CG 3.89Å; I75-R91 HydrophobicContact CG1-CG 3.78Å |
| 76 | D | 87 | Confident | 83 | Confident | 124 Ų | 124 | 62.4 Ų | 62.4 | 66% | 0.663 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -76.5 | -12.6 | -179.5 | -66.5 | -28.1 | 0 | 0 | 0 | 112.8 | D73 W74 | D73-D76 PolarHBondContact O-N 3.29Å; W74-D76 PolarHBondContact O-N 3.1Å; W74-D76 VanDerWaalsContact O-N 3.14Å |
| 77 | H | 84.5 | Confident | 83.7 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | trans | -121.4 | 58.3 | -170.7 | -66.7 | -39.5 | 0 | 0 | 0 | 112.7 | L72 W74 I75 S79 F80 V110 | L72-H77 VanDerWaalsContact CB-NE2 3.32Å; L72-H77 WeakPolarHBondContact CB-NE2 3.39Å; L72-H77 WeakPolarHBondContact CD1-NE2 3.46Å; W74-H77 CarbonylContact O-C 3.04Å; W74-H77 WeakPolarHBondContact O-CA 3.27Å; W74-H77 PolarHBondContact O-N 3.15Å; I75-H77 VanDerWaalsContact C-N 3.25Å; I75-H77 PolarHBondContact O-N 2.94Å; H77-S79 PolarHBondContact O-N 2.81Å; H77-F80 HydrophobicContact CB-CD2 4.4Å; H77-F80 PolarHBondContact O-N 3.19Å; H77-V110 HydrophobicContact CB-CB 4.21Å; H77-V110 HydrophobicContact CB-CG1 3.86Å; H77-V110 HydrophobicContact CB-CG2 3.98Å; H77-V110 WeakPolarHBondContact CD2-CG1 3.25Å | ||
| 78 | K | 81.7 | Confident | 84 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.2 | -25.1 | -175.6 | -49.9 | -143.1 | 176.4 | -167.2 | 0 | 115.3 | F80 Y81 K82 D87 | K78-F80 PolarHBondContact O-N 3.45Å; K78-Y81 VanDerWaalsContact CA-CE1 3.41Å; K78-Y81 HydrophobicContact CB-CE1 4.16Å; K78-Y81 WeakPolarHBondContact CD-OH 3.41Å; K78-Y81 WeakPolarHBondContact CE-OH 3.33Å; K78-Y81 HydrophobicContact CG-CE1 4Å; K78-Y81 WeakPolarHBondContact CG-OH 3.4Å; K78-K82 WeakPolarHBondContact O-CB 3.16Å; K78-K82 PolarHBondContact O-N 3.2Å; K78-D87 IonicContact NZ-OD2 3.3Å; K78-D87 PolarHBondContact NZ-OD2 2.9Å |
| 79 | S | 79.9 | Confident | 84.1 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 60% | 0.601 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.2 | -22.8 | 175.2 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | H77 | H77-S79 PolarHBondContact O-N 2.81Å |
| 80 | F | 81.1 | Confident | 84 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -100.6 | -40.8 | -172.4 | -78.6 | -66.5 | 0 | 0 | 0 | 114.6 | W74 H77 K78 Y84 W108 V110 G114 F116 | W74-F80 HydrophobicContact CE3-CB 4.43Å; W74-F80 HydrophobicContact CZ3-CB 4.11Å; H77-F80 HydrophobicContact CB-CD2 4.4Å; H77-F80 PolarHBondContact O-N 3.19Å; K78-F80 PolarHBondContact O-N 3.45Å; F80-Y84 WeakPolarHBondContact O-CD2 3.49Å; F80-Y84 WeakPolarHBondContact O-CE2 3.5Å; F80-W108 HydrophobicContact CB-CH2 4.15Å; F80-W108 HydrophobicContact CB-CZ3 4.06Å; F80-W108 AromaticContact CD1-CH2 3.82Å; F80-W108 HydrophobicContact CD1-CH2 3.82Å; F80-W108 AromaticContact CD1-CZ3 3.68Å; F80-W108 HydrophobicContact CD1-CZ3 3.68Å; F80-W108 HydrophobicContact CE1-CZ3 4.45Å; F80-W108 HydrophobicContact CG-CH2 4.4Å; F80-W108 HydrophobicContact CG-CZ3 4.11Å; F80-V110 HydrophobicContact CB-CG2 3.61Å; F80-V110 HydrophobicContact CD2-CB 4.2Å; F80-V110 HydrophobicContact CD2-CG1 3.63Å; F80-V110 HydrophobicContact CD2-CG2 3.47Å; F80-V110 VanDerWaalsContact CD2-CG2 3.47Å; F80-V110 HydrophobicContact CE2-CG1 3.76Å; F80-V110 HydrophobicContact CE2-CG2 4.29Å; F80-V110 HydrophobicContact CG-CG2 3.66Å; F80-G114 VanDerWaalsContact CZ-C 3.48Å; F80-F116 HydrophobicContact CD1-CB 4.42Å; F80-F116 HydrophobicContact CE1-CB 3.96Å; F80-F116 AromaticContact CE1-CD1 3.64Å; F80-F116 HydrophobicContact CE1-CD1 3.64Å; F80-F116 HydrophobicContact CE1-CG 4.15Å; F80-F116 HydrophobicContact CZ-CB 4.2Å; F80-F116 HydrophobicContact CZ-CD1 4.17Å |
| 81 | Y | 82 | Confident | 84 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -89.3 | -32 | 179.7 | 69 | -96.3 | 0 | 0 | 0 | 113.9 | W74 I75 K78 P83 Y84 W85 D87 A90 | W74-Y81 HydrophobicContact CB-CD1 4.25Å; W74-Y81 WeakPolarHBondContact O-CD1 3.32Å; W74-Y81 WeakPolarHBondContact O-CE1 3.1Å; I75-Y81 PolarHBondContact O-OH 2.69Å; K78-Y81 VanDerWaalsContact CA-CE1 3.41Å; K78-Y81 HydrophobicContact CB-CE1 4.16Å; K78-Y81 WeakPolarHBondContact CD-OH 3.41Å; K78-Y81 WeakPolarHBondContact CE-OH 3.33Å; K78-Y81 HydrophobicContact CG-CE1 4Å; K78-Y81 WeakPolarHBondContact CG-OH 3.4Å; Y81-P83 VanDerWaalsContact C-N 3.31Å; Y81-P83 VanDerWaalsContact O-N 3.16Å; Y81-Y84 CarbonylContact O-C 3.6Å; Y81-Y84 WeakPolarHBondContact O-CA 3.21Å; Y81-Y84 PolarHBondContact O-N 2.84Å; Y81-W85 HydrophobicContact CD2-CB 4.41Å; Y81-W85 PolarHBondContact O-N 2.82Å; Y81-D87 PolarHBondContact OH-OD1 2.95Å; Y81-A90 HydrophobicContact CD1-CB 3.89Å; Y81-A90 HydrophobicContact CD2-CB 3.61Å; Y81-A90 HydrophobicContact CE1-CB 3.88Å; Y81-A90 HydrophobicContact CE2-CB 3.64Å; Y81-A90 HydrophobicContact CG-CB 3.74Å |
| 82 | K | 80.4 | Confident | 83.6 | Confident | 139 Ų | 139 | 70.7 Ų | 70.7 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.5 | -168.4 | -162.6 | 176.5 | -176.4 | -174.2 | 0 | 116.1 | K78 Y84 | K78-K82 WeakPolarHBondContact O-CB 3.16Å; K78-K82 PolarHBondContact O-N 3.2Å; K82-Y84 PolarHBondContact O-N 3.01Å |
| 83 | P | 80.9 | Confident | 83.4 | Confident | 91 Ų | 91 | 68 Ų | 68 | 59% | 0.591 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.4 | 167.7 | -20.2 | 33.6 | 0 | 0 | 0 | 114.6 | Y81 | Y81-P83 VanDerWaalsContact C-N 3.31Å; Y81-P83 VanDerWaalsContact O-N 3.16Å |
| 84 | Y | 79.7 | Confident | 83.4 | Confident | 116 Ų | 116 | 70.6 Ų | 70.6 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | -30.9 | -166.1 | -45.4 | -76.1 | 0 | 0 | 0 | 114.4 | F80 Y81 K82 P100 G101 | F80-Y84 WeakPolarHBondContact O-CD2 3.49Å; F80-Y84 WeakPolarHBondContact O-CE2 3.5Å; Y81-Y84 CarbonylContact O-C 3.6Å; Y81-Y84 WeakPolarHBondContact O-CA 3.21Å; Y81-Y84 PolarHBondContact O-N 2.84Å; K82-Y84 PolarHBondContact O-N 3.01Å; Y84-P100 HydrophobicContact CD1-CB 4.32Å; Y84-P100 WeakPolarHBondContact CD1-O 3.32Å; Y84-P100 HydrophobicContact CD2-CB 3.69Å; Y84-P100 HydrophobicContact CD2-CG 4.02Å; Y84-P100 HydrophobicContact CE2-CB 4.39Å; Y84-P100 HydrophobicContact CE2-CG 4.36Å; Y84-P100 HydrophobicContact CG-CB 3.64Å; Y84-P100 HydrophobicContact CG-CG 4.45Å; Y84-G101 VanDerWaalsContact CE1-CA 3.48Å |
| 85 | W | 82.1 | Confident | 83.5 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 11% | 0.114 | 35% | 0.352 | C | S | . | . | trans | -136.2 | 158 | -176.7 | -56.8 | -30.2 | 0 | 0 | 0 | 112.3 | W74 Y81 E89 H93 R98 P100 | W74-W85 HydrophobicContact CB-CZ3 4.32Å; W74-W85 AromaticContact CD1-CZ3 3.8Å; W74-W85 HydrophobicContact CD2-CH2 4.09Å; W74-W85 AromaticContact CD2-CZ3 3.6Å; W74-W85 HydrophobicContact CD2-CZ3 3.6Å; W74-W85 AromaticContact CE2-CH2 3.8Å; W74-W85 AromaticContact CE2-CZ3 3.78Å; W74-W85 HydrophobicContact CE3-CZ3 4.03Å; W74-W85 HydrophobicContact CG-CH2 4.47Å; W74-W85 AromaticContact CG-CZ3 3.69Å; W74-W85 HydrophobicContact CG-CZ3 3.69Å; W74-W85 HydrophobicContact CH2-CH2 4.43Å; W74-W85 HydrophobicContact CZ2-CH2 4.03Å; W74-W85 HydrophobicContact CZ2-CZ3 4.39Å; W74-W85 AromaticContact NE1-CZ3 3.93Å; Y81-W85 HydrophobicContact CD2-CB 4.41Å; Y81-W85 PolarHBondContact O-N 2.82Å; W85-E89 HydrophobicContact CB-CB 3.86Å; W85-E89 HydrophobicContact CG-CB 4.29Å; W85-H93 AromaticContact CE2-CD2 3.98Å; W85-H93 HydrophobicContact CE3-CB 4.31Å; W85-H93 AromaticContact CE3-CG 3.97Å; W85-H93 AromaticContact CE3-ND1 3.91Å; W85-H93 HydrophobicContact CH2-CB 4.2Å; W85-H93 AromaticContact CH2-CD2 3.64Å; W85-H93 AromaticContact CH2-CG 3.9Å; W85-H93 AromaticContact CZ2-CD2 3.6Å; W85-H93 HydrophobicContact CZ3-CB 3.82Å; W85-H93 AromaticContact CZ3-CD2 3.98Å; W85-H93 AromaticContact CZ3-CG 3.76Å; W85-R98 HydrophobicContact CH2-CB 3.53Å; W85-R98 HydrophobicContact CH2-CG 3.63Å; W85-R98 HydrophobicContact CZ2-CB 3.75Å; W85-R98 HydrophobicContact CZ2-CG 4.01Å; W85-P100 HydrophobicContact CH2-CB 4.25Å; W85-P100 HydrophobicContact CH2-CG 4.27Å; W85-P100 HydrophobicContact CZ2-CB 3.6Å; W85-P100 HydrophobicContact CZ2-CG 4.07Å | ||
| 86 | S | 85.8 | Confident | 83.7 | Confident | 55 Ų | 55 | 73 Ų | 73 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | trans | -73.2 | 164.1 | 164.2 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | D88 E89 A90 | S86-D88 VanDerWaalsContact C-N 3.27Å; S86-D88 PolarHBondContact O-N 3.42Å; S86-E89 WeakPolarHBondContact CB-OE2 3.16Å; S86-E89 PolarHBondContact N-OE2 3.12Å; S86-E89 PolarHBondContact O-N 3.18Å; S86-E89 WeakPolarHBondContact OG-CB 3.39Å; S86-E89 WeakPolarHBondContact OG-CG 3.5Å; S86-E89 PolarHBondContact OG-N 2.9Å; S86-E89 PolarHBondContact OG-OE2 2.91Å; S86-A90 PolarHBondContact O-N 2.91Å | ||
| 87 | D | 84.4 | Confident | 83.7 | Confident | 48 Ų | 48 | 67 Ų | 67 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -33.5 | 174.3 | -74.9 | 34.2 | 0 | 0 | 0 | 112.8 | I75 K78 Y81 A90 R91 | I75-D87 HydrophobicContact CD1-CB 4.08Å; I75-D87 WeakPolarHBondContact CD1-O 3.21Å; K78-D87 IonicContact NZ-OD2 3.3Å; K78-D87 PolarHBondContact NZ-OD2 2.9Å; Y81-D87 PolarHBondContact OH-OD1 2.95Å; D87-A90 PolarHBondContact O-N 3.38Å; D87-R91 PolarHBondContact O-N 3.26Å; D87-R91 VanDerWaalsContact O-N 3.1Å |
| 88 | D | 82.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 58% | 0.578 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -77.4 | -35.5 | 178.4 | -73.2 | -43.2 | 0 | 0 | 0 | 112.7 | S86 R91 K92 | S86-D88 VanDerWaalsContact C-N 3.27Å; S86-D88 PolarHBondContact O-N 3.42Å; D88-R91 PolarHBondContact O-N 3.05Å; D88-R91 IonicContact OD1-CZ 2.8Å; D88-R91 VanDerWaalsContact OD1-CZ 3.3Å; D88-R91 IonicContact OD1-NE 3.65Å; D88-R91 PolarHBondContact OD1-NE 2.93Å; D88-R91 VanDerWaalsContact OD1-NE 3.1Å; D88-R91 IonicContact OD1-NH2 3.33Å; D88-R91 PolarHBondContact OD1-NH2 3.45Å; D88-K92 PolarHBondContact O-N 3.13Å |
| 89 | E | 80 | Confident | 84 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 166.4 | -75.8 | 167 | 116.1 | 0 | 0 | 110.5 | W85 S86 R91 K92 H93 | W85-E89 HydrophobicContact CB-CB 3.86Å; W85-E89 HydrophobicContact CG-CB 4.29Å; S86-E89 WeakPolarHBondContact CB-OE2 3.16Å; S86-E89 PolarHBondContact N-OE2 3.12Å; S86-E89 PolarHBondContact O-N 3.18Å; S86-E89 WeakPolarHBondContact OG-CB 3.39Å; S86-E89 WeakPolarHBondContact OG-CG 3.5Å; S86-E89 PolarHBondContact OG-N 2.9Å; S86-E89 PolarHBondContact OG-OE2 2.91Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 2.96Å; E89-K92 CarbonylContact O-C 3.51Å; E89-K92 WeakPolarHBondContact O-CA 3.35Å; E89-K92 WeakPolarHBondContact O-CB 3.2Å; E89-K92 PolarHBondContact O-N 2.82Å; E89-H93 WeakPolarHBondContact CA-CE1 3.29Å; E89-H93 WeakPolarHBondContact CB-CE1 3.47Å; E89-H93 WeakPolarHBondContact CB-NE2 3.46Å; E89-H93 CovalentContact O-CE1 1.72Å; E89-H93 PolarHBondContact O-CE1 2.79Å; E89-H93 PolarHBondContact O-N 2.9Å; E89-H93 PolarHBondContact O-ND1 3.33Å |
| 90 | A | 80.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.7 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W74 I75 Y81 S86 D87 K92 H93 K94 | W74-A90 HydrophobicContact CB-CB 4.07Å; I75-A90 HydrophobicContact CD1-CB 4.37Å; Y81-A90 HydrophobicContact CD1-CB 3.89Å; Y81-A90 HydrophobicContact CD2-CB 3.61Å; Y81-A90 HydrophobicContact CE1-CB 3.88Å; Y81-A90 HydrophobicContact CE2-CB 3.64Å; Y81-A90 HydrophobicContact CG-CB 3.74Å; S86-A90 PolarHBondContact O-N 2.91Å; D87-A90 PolarHBondContact O-N 3.38Å; A90-K92 VanDerWaalsContact C-N 3.33Å; A90-K92 PolarHBondContact O-N 2.94Å; A90-H93 PolarHBondContact N-CE1 3.25Å; A90-H93 CarbonylContact O-C 3.56Å; A90-H93 WeakPolarHBondContact O-CA 3.41Å; A90-H93 PolarHBondContact O-N 2.67Å; A90-K94 PolarHBondContact O-N 2.86Å |
| 91 | R | 82.7 | Confident | 83 | Confident | 134 Ų | 134 | 58.9 Ų | 58.9 | 51% | 0.506 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.9 | -38.8 | 171.4 | -77.1 | -173 | -88.4 | -110.7 | 3.9 | 113.7 | I75 D87 D88 E89 H93 K94 | I75-R91 HydrophobicContact CB-CG 4.16Å; I75-R91 HydrophobicContact CD1-CG 3.89Å; I75-R91 HydrophobicContact CG1-CG 3.78Å; D87-R91 PolarHBondContact O-N 3.26Å; D87-R91 VanDerWaalsContact O-N 3.1Å; D88-R91 PolarHBondContact O-N 3.05Å; D88-R91 IonicContact OD1-CZ 2.8Å; D88-R91 VanDerWaalsContact OD1-CZ 3.3Å; D88-R91 IonicContact OD1-NE 3.65Å; D88-R91 PolarHBondContact OD1-NE 2.93Å; D88-R91 VanDerWaalsContact OD1-NE 3.1Å; D88-R91 IonicContact OD1-NH2 3.33Å; D88-R91 PolarHBondContact OD1-NH2 3.45Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 2.96Å; R91-H93 VanDerWaalsContact C-N 3.32Å; R91-K94 WeakPolarHBondContact O-CG 3.47Å; R91-K94 PolarHBondContact O-N 3.46Å |
| 92 | K | 84.2 | Confident | 82.3 | Confident | 161 Ų | 161 | 63.3 Ų | 63.3 | 70% | 0.7 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -70.2 | -27.4 | 174.5 | -171.6 | 169.1 | -178.3 | 172 | 0 | 112.7 | D88 E89 A90 | D88-K92 PolarHBondContact O-N 3.13Å; E89-K92 CarbonylContact O-C 3.51Å; E89-K92 WeakPolarHBondContact O-CA 3.35Å; E89-K92 WeakPolarHBondContact O-CB 3.2Å; E89-K92 PolarHBondContact O-N 2.82Å; A90-K92 VanDerWaalsContact C-N 3.33Å; A90-K92 PolarHBondContact O-N 2.94Å |
| 93 | H | 85.1 | Confident | 81.7 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -82.1 | -16.8 | 176.3 | -66.7 | 82.4 | 0 | 0 | 0 | 113.3 | W74 W85 E89 A90 R91 Y96 R98 | W74-H93 HydrophobicContact CG-CB 4.5Å; W85-H93 AromaticContact CE2-CD2 3.98Å; W85-H93 HydrophobicContact CE3-CB 4.31Å; W85-H93 AromaticContact CE3-CG 3.97Å; W85-H93 AromaticContact CE3-ND1 3.91Å; W85-H93 HydrophobicContact CH2-CB 4.2Å; W85-H93 AromaticContact CH2-CD2 3.64Å; W85-H93 AromaticContact CH2-CG 3.9Å; W85-H93 AromaticContact CZ2-CD2 3.6Å; W85-H93 HydrophobicContact CZ3-CB 3.82Å; W85-H93 AromaticContact CZ3-CD2 3.98Å; W85-H93 AromaticContact CZ3-CG 3.76Å; E89-H93 WeakPolarHBondContact CA-CE1 3.29Å; E89-H93 WeakPolarHBondContact CB-CE1 3.47Å; E89-H93 WeakPolarHBondContact CB-NE2 3.46Å; E89-H93 CovalentContact O-CE1 1.72Å; E89-H93 PolarHBondContact O-CE1 2.79Å; E89-H93 PolarHBondContact O-N 2.9Å; E89-H93 PolarHBondContact O-ND1 3.33Å; A90-H93 PolarHBondContact N-CE1 3.25Å; A90-H93 CarbonylContact O-C 3.56Å; A90-H93 WeakPolarHBondContact O-CA 3.41Å; A90-H93 PolarHBondContact O-N 2.67Å; R91-H93 VanDerWaalsContact C-N 3.32Å; H93-Y96 WeakPolarHBondContact O-CB 3.45Å; H93-Y96 VanDerWaalsContact O-CD2 3.25Å; H93-Y96 WeakPolarHBondContact O-CD2 3.35Å; H93-Y96 PolarHBondContact O-N 3.02Å; H93-Y96 VanDerWaalsContact O-N 3.08Å; H93-R98 PolarHBondContact CD2-NE 3.33Å |
| 94 | K | 89.9 | Confident | 80.9 | Confident | 105 Ų | 105 | 57.6 Ų | 57.6 | 46% | 0.457 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -131.4 | 178.3 | -59.6 | -168.1 | 177.2 | -171.9 | 0 | 112.4 | D73 W74 A90 R91 Y96 | D73-K94 VanDerWaalsContact CG-C 3.43Å; D73-K94 VanDerWaalsContact OD1-O 3.13Å; D73-K94 WeakPolarHBondContact OD2-CA 3.37Å; W74-K94 PolarHBondContact N-O 2.85Å; A90-K94 PolarHBondContact O-N 2.86Å; R91-K94 WeakPolarHBondContact O-CG 3.47Å; R91-K94 PolarHBondContact O-N 3.46Å; K94-Y96 HydrophobicContact CB-CD2 4.11Å; K94-Y96 HydrophobicContact CB-CE2 4.03Å; K94-Y96 HydrophobicContact CD-CE2 3.97Å; K94-Y96 HydrophobicContact CG-CE2 4.23Å |
| 95 | N | 91.6 | Very high | 80.1 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 17.7 | 168.6 | 66.3 | -21.2 | 0 | 0 | 0 | 113.8 | N63 C71 L72 D73 | N63-N95 WeakPolarHBondContact CB-O 3.46Å; N63-N95 PolarHBondContact ND2-ND2 2.82Å; C71-N95 HydrophobicContact CB-CB 4.18Å; C71-N95 WeakPolarHBondContact CB-O 3.36Å; C71-N95 VanDerWaalsContact O-CB 3.24Å; C71-N95 WeakPolarHBondContact O-CB 3.06Å; C71-N95 PolarHBondContact O-ND2 3.32Å; L72-N95 WeakPolarHBondContact O-CB 3.49Å; D73-N95 HydrophobicContact CB-CB 4.48Å |
| 96 | Y | 90.9 | Very high | 79.6 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | trans | -74.9 | 140.5 | -177.8 | -56.8 | -52.8 | 0 | 0 | 0 | 112.1 | K61 V62 N63 W74 H93 K94 R98 | K61-Y96 VanDerWaalsContact C-CD1 3.47Å; K61-Y96 HydrophobicContact CB-CD1 4.07Å; K61-Y96 HydrophobicContact CB-CE1 3.77Å; K61-Y96 HydrophobicContact CG-CE1 4.2Å; K61-Y96 HydrophobicContact CG-CE2 4.27Å; K61-Y96 VanDerWaalsContact O-CD1 3.27Å; K61-Y96 WeakPolarHBondContact O-CD1 3.37Å; K61-Y96 WeakPolarHBondContact O-CE1 2.77Å; V62-Y96 CarbonylContact O-C 3.58Å; V62-Y96 VanDerWaalsContact O-CA 3.3Å; V62-Y96 WeakPolarHBondContact O-CA 3.41Å; N63-Y96 HydrophobicContact CB-CD1 4.04Å; W74-Y96 PolarHBondContact NE1-O 3.24Å; H93-Y96 WeakPolarHBondContact O-CB 3.45Å; H93-Y96 VanDerWaalsContact O-CD2 3.25Å; H93-Y96 WeakPolarHBondContact O-CD2 3.35Å; H93-Y96 PolarHBondContact O-N 3.02Å; H93-Y96 VanDerWaalsContact O-N 3.08Å; K94-Y96 HydrophobicContact CB-CD2 4.11Å; K94-Y96 HydrophobicContact CB-CE2 4.03Å; K94-Y96 HydrophobicContact CD-CE2 3.97Å; K94-Y96 HydrophobicContact CG-CE2 4.23Å; Y96-R98 WeakPolarHBondContact O-CG 3.3Å | ||
| 97 | C | 87.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -60.7 | 138.3 | 175.7 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | Y58 V62 W108 C119 | Y58-C97 WeakPolarHBondContact CD1-O 3.1Å; Y58-C97 HydrophobicContact CE1-CB 4.34Å; Y58-C97 WeakPolarHBondContact CE1-O 3.12Å; V62-C97 PolarHBondContact O-N 3.3Å; V62-C97 PolarHBondContact O-SG 3.13Å; C97-W108 CarbonylContact C-O 3.58Å; C97-W108 WeakPolarHBondContact CA-O 3.46Å; C97-C119 HydrophobicContact CB-CB 3.48Å; C97-C119 VanDerWaalsContact CB-CB 3.48Å; C97-C119 WeakPolarHBondContact CB-SG 3.5Å; C97-C119 WeakPolarHBondContact SG-CB 3.27Å; C97-C119 CovalentContact SG-SG 2.02Å; C97-C119 PolarHBondContact SG-SG 3.34Å | ||
| 98 | R | 89.4 | Confident | 79.6 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -150.6 | 165.7 | -173.1 | -65.9 | -69.4 | 176.8 | -99.5 | 5.2 | 111.3 | Y58 R59 G60 W74 W85 H93 Y96 P100 P107 W108 | Y58-R98 WeakPolarHBondContact O-CD 3.32Å; R59-R98 PolarHBondContact O-NH2 2.95Å; R59-R98 VanDerWaalsContact O-NH2 3.14Å; G60-R98 VanDerWaalsContact O-CZ 3.31Å; G60-R98 PolarHBondContact O-NH1 2.86Å; G60-R98 PolarHBondContact O-NH2 3.18Å; W74-R98 HydrophobicContact CZ2-CB 3.95Å; W74-R98 HydrophobicContact CZ2-CG 4.37Å; W85-R98 HydrophobicContact CH2-CB 3.53Å; W85-R98 HydrophobicContact CH2-CG 3.63Å; W85-R98 HydrophobicContact CZ2-CB 3.75Å; W85-R98 HydrophobicContact CZ2-CG 4.01Å; H93-R98 PolarHBondContact CD2-NE 3.33Å; Y96-R98 WeakPolarHBondContact O-CG 3.3Å; R98-P100 WeakPolarHBondContact O-CD 3.48Å; R98-P107 CarbonylContact O-C 3.56Å; R98-P107 VanDerWaalsContact O-CA 3.29Å; R98-P107 WeakPolarHBondContact O-CA 3.26Å; R98-W108 PolarHBondContact N-O 2.8Å; R98-W108 PolarHBondContact O-N 2.82Å; R98-W108 VanDerWaalsContact O-O 3.08Å |
| 99 | N | 84.2 | Confident | 80 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -119.8 | 61.7 | 175.8 | -164.5 | 1.9 | 0 | 0 | 0 | 112.7 | G56 G101 N102 D103 P107 | G56-N99 WeakPolarHBondContact CA-O 3.45Å; N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 3.49Å; N99-N102 PolarHBondContact O-N 3.04Å; N99-N102 VanDerWaalsContact O-N 3.09Å; N99-N102 PolarHBondContact OD1-N 2.96Å; N99-D103 PolarHBondContact ND2-N 2.84Å; N99-D103 PolarHBondContact ND2-O 3Å; N99-D103 PolarHBondContact OD1-N 3.35Å; N99-P107 HydrophobicContact CB-CB 4.22Å | ||
| 100 | P | 70.3 | Confident | 80.3 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 14% | 0.143 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.1 | -172 | 22.8 | -33.1 | 0 | 0 | 0 | 114.3 | W74 Y84 W85 R98 W108 | W74-P100 HydrophobicContact CH2-CG 4.42Å; Y84-P100 HydrophobicContact CD1-CB 4.32Å; Y84-P100 WeakPolarHBondContact CD1-O 3.32Å; Y84-P100 HydrophobicContact CD2-CB 3.69Å; Y84-P100 HydrophobicContact CD2-CG 4.02Å; Y84-P100 HydrophobicContact CE2-CB 4.39Å; Y84-P100 HydrophobicContact CE2-CG 4.36Å; Y84-P100 HydrophobicContact CG-CB 3.64Å; Y84-P100 HydrophobicContact CG-CG 4.45Å; W85-P100 HydrophobicContact CH2-CB 4.25Å; W85-P100 HydrophobicContact CH2-CG 4.27Å; W85-P100 HydrophobicContact CZ2-CB 3.6Å; W85-P100 HydrophobicContact CZ2-CG 4.07Å; R98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-W108 HydrophobicContact CG-CH2 4.16Å; P100-W108 HydrophobicContact CG-CZ2 3.63Å |
| 101 | G | 69.2 | Low | 80.6 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y84 N99 D103 | Y84-G101 VanDerWaalsContact CE1-CA 3.48Å; N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 3.49Å; G101-D103 VanDerWaalsContact C-N 3.26Å; G101-D103 PolarHBondContact O-N 3.09Å |
| 102 | N | 67.2 | Low | 80.6 | Confident | 93 Ų | 93 | 34 Ų | 34 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | trans | 53.8 | 41.1 | -173.5 | -161.1 | 85.7 | 0 | 0 | 0 | 112.9 | S55 G56 N99 S104 | S55-N102 VanDerWaalsContact C-OD1 3.32Å; S55-N102 WeakPolarHBondContact CA-OD1 3.35Å; G56-N102 PolarHBondContact N-OD1 3.19Å; N99-N102 PolarHBondContact O-N 3.04Å; N99-N102 VanDerWaalsContact O-N 3.09Å; N99-N102 PolarHBondContact OD1-N 2.96Å; N102-S104 PolarHBondContact O-N 3.48Å | ||
| 103 | D | 67.9 | Low | 80.3 | Confident | 52 Ų | 52 | 34 Ų | 34 | 28% | 0.278 | 19% | 0.192 | S | C | . | . | trans | -66.4 | 125.9 | 178.7 | -163.9 | -45.4 | 0 | 0 | 0 | 110.4 | N99 G101 S105 G106 Y118 | N99-D103 PolarHBondContact ND2-N 2.84Å; N99-D103 PolarHBondContact ND2-O 3Å; N99-D103 PolarHBondContact OD1-N 3.35Å; G101-D103 VanDerWaalsContact C-N 3.26Å; G101-D103 PolarHBondContact O-N 3.09Å; D103-S105 PolarHBondContact O-N 2.93Å; D103-S105 WeakPolarHBondContact OD1-CB 3.22Å; D103-S105 PolarHBondContact OD1-N 2.75Å; D103-S105 PolarHBondContact OD1-OG 3.11Å; D103-G106 PolarHBondContact O-N 2.8Å; D103-G106 VanDerWaalsContact O-N 3.16Å; D103-Y118 PolarHBondContact OD2-OH 3.16Å | ||
| 104 | S | 63.2 | Low | 79.9 | Confident | 57 Ų | 57 | 36 Ų | 36 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -24 | 174.4 | 57 | 0 | 0 | 0 | 0 | 114.7 | N102 G106 R192 | N102-S104 PolarHBondContact O-N 3.48Å; S104-G106 VanDerWaalsContact C-N 3.33Å; S104-R192 PolarHBondContact OG-NH1 3.31Å |
| 105 | S | 63 | Low | 79.6 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.3 | -175.4 | -43.1 | 0 | 0 | 0 | 0 | 112.8 | D103 Q144 R192 | D103-S105 PolarHBondContact O-N 2.93Å; D103-S105 WeakPolarHBondContact OD1-CB 3.22Å; D103-S105 PolarHBondContact OD1-N 2.75Å; D103-S105 PolarHBondContact OD1-OG 3.11Å; S105-Q144 PolarHBondContact O-NE2 2.94Å; S105-R192 PolarHBondContact OG-NH1 3.15Å |
| 106 | G | 71.5 | Confident | 79.4 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | trans | 116.9 | 178.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D103 S104 | D103-G106 PolarHBondContact O-N 2.8Å; D103-G106 VanDerWaalsContact O-N 3.16Å; S104-G106 VanDerWaalsContact C-N 3.33Å | ||
| 107 | P | 83.1 | Confident | 79 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | trans | -66.8 | 153.3 | 175.1 | 29.9 | -35.1 | 0 | 0 | 0 | 112.2 | Y58 R98 N99 Y118 C119 V121 | Y58-P107 HydrophobicContact CD1-CB 4.01Å; Y58-P107 HydrophobicContact CD1-CG 4.24Å; R98-P107 CarbonylContact O-C 3.56Å; R98-P107 VanDerWaalsContact O-CA 3.29Å; R98-P107 WeakPolarHBondContact O-CA 3.26Å; N99-P107 HydrophobicContact CB-CB 4.22Å; P107-Y118 WeakPolarHBondContact O-CA 3.1Å; P107-C119 PolarHBondContact O-N 2.9Å; P107-V121 HydrophobicContact CG-CB 3.62Å; P107-V121 HydrophobicContact CG-CG1 4.07Å; P107-V121 HydrophobicContact CG-CG2 3.59Å | ||
| 108 | W | 88.1 | Confident | 78.9 | Confident | 14 Ų | 14 | 45 Ų | 45 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 171.4 | -175.8 | 53.2 | -90.7 | 0 | 0 | 0 | 111.5 | W74 F80 C97 R98 P100 F116 K117 Y118 | W74-W108 HydrophobicContact CH2-CD2 4.19Å; W74-W108 AromaticContact CH2-CE3 3.54Å; W74-W108 HydrophobicContact CH2-CE3 3.54Å; W74-W108 HydrophobicContact CH2-CH2 4.02Å; W74-W108 AromaticContact CH2-CZ3 3.45Å; W74-W108 HydrophobicContact CH2-CZ3 3.45Å; W74-W108 VanDerWaalsContact CH2-CZ3 3.45Å; W74-W108 WeakPolarHBondContact CZ2-O 3.34Å; W74-W108 HydrophobicContact CZ3-CE3 4.01Å; W74-W108 AromaticContact CZ3-CH2 3.87Å; W74-W108 HydrophobicContact CZ3-CH2 3.87Å; W74-W108 AromaticContact CZ3-CZ3 3.43Å; W74-W108 HydrophobicContact CZ3-CZ3 3.43Å; W74-W108 VanDerWaalsContact CZ3-CZ3 3.43Å; F80-W108 HydrophobicContact CB-CH2 4.15Å; F80-W108 HydrophobicContact CB-CZ3 4.06Å; F80-W108 AromaticContact CD1-CH2 3.82Å; F80-W108 HydrophobicContact CD1-CH2 3.82Å; F80-W108 AromaticContact CD1-CZ3 3.68Å; F80-W108 HydrophobicContact CD1-CZ3 3.68Å; F80-W108 HydrophobicContact CE1-CZ3 4.45Å; F80-W108 HydrophobicContact CG-CH2 4.4Å; F80-W108 HydrophobicContact CG-CZ3 4.11Å; C97-W108 CarbonylContact C-O 3.58Å; C97-W108 WeakPolarHBondContact CA-O 3.46Å; R98-W108 PolarHBondContact N-O 2.8Å; R98-W108 PolarHBondContact O-N 2.82Å; R98-W108 VanDerWaalsContact O-O 3.08Å; P100-W108 HydrophobicContact CG-CH2 4.16Å; P100-W108 HydrophobicContact CG-CZ2 3.63Å; W108-F116 HydrophobicContact CB-CD2 3.98Å; W108-F116 HydrophobicContact CD2-CB 4.44Å; W108-F116 AromaticContact CD2-CD2 3.77Å; W108-F116 HydrophobicContact CD2-CD2 3.77Å; W108-F116 HydrophobicContact CD2-CE2 4.39Å; W108-F116 HydrophobicContact CD2-CG 4.37Å; W108-F116 HydrophobicContact CE3-CB 3.57Å; W108-F116 AromaticContact CE3-CD2 3.76Å; W108-F116 HydrophobicContact CE3-CD2 3.76Å; W108-F116 AromaticContact CE3-CG 3.91Å; W108-F116 HydrophobicContact CE3-CG 3.91Å; W108-F116 AromaticContact CG-CD2 3.91Å; W108-F116 HydrophobicContact CG-CD2 3.91Å; W108-F116 HydrophobicContact CG-CE2 4.38Å; W108-F116 HydrophobicContact CZ3-CB 3.85Å; W108-F116 HydrophobicContact CZ3-CD2 4.42Å; W108-F116 HydrophobicContact CZ3-CG 4.23Å; W108-K117 CarbonylContact C-O 3.51Å; W108-K117 VanDerWaalsContact CA-O 3.24Å; W108-K117 WeakPolarHBondContact CA-O 3.43Å; W108-K117 WeakPolarHBondContact CB-O 3.42Å; W108-Y118 HydrophobicContact CB-CD1 3.86Å; W108-Y118 HydrophobicContact CB-CE1 4.29Å; W108-Y118 HydrophobicContact CG-CD1 4.49Å; W108-Y118 HydrophobicContact CG-CE1 4.49Å |
| 109 | C | 90.2 | Very high | 78.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 167.8 | 172.2 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | C71 W74 F116 K117 | C71-C109 HydrophobicContact CB-CB 3.56Å; C71-C109 WeakPolarHBondContact CB-SG 3.28Å; C71-C109 WeakPolarHBondContact SG-CB 3.18Å; C71-C109 CovalentContact SG-SG 2.02Å; C71-C109 PolarHBondContact SG-SG 2.87Å; W74-C109 HydrophobicContact CZ2-CB 4.47Å; C109-F116 VanDerWaalsContact O-CA 3.23Å; C109-F116 WeakPolarHBondContact O-CA 3.39Å; C109-F116 WeakPolarHBondContact O-CB 3.49Å; C109-K117 PolarHBondContact N-O 3.3Å; C109-K117 PolarHBondContact O-N 3.2Å |
| 110 | V | 87.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.8 | 174.7 | -168.9 | 0 | 0 | 0 | 0 | 109.6 | L72 W74 H77 F80 G112 R115 | L72-V110 PolarHBondContact N-O 2.76Å; W74-V110 HydrophobicContact CE3-CG2 3.83Å; W74-V110 HydrophobicContact CZ3-CG2 3.78Å; H77-V110 HydrophobicContact CB-CB 4.21Å; H77-V110 HydrophobicContact CB-CG1 3.86Å; H77-V110 HydrophobicContact CB-CG2 3.98Å; H77-V110 WeakPolarHBondContact CD2-CG1 3.25Å; F80-V110 HydrophobicContact CB-CG2 3.61Å; F80-V110 HydrophobicContact CD2-CB 4.2Å; F80-V110 HydrophobicContact CD2-CG1 3.63Å; F80-V110 HydrophobicContact CD2-CG2 3.47Å; F80-V110 VanDerWaalsContact CD2-CG2 3.47Å; F80-V110 HydrophobicContact CE2-CG1 3.76Å; F80-V110 HydrophobicContact CE2-CG2 4.29Å; F80-V110 HydrophobicContact CG-CG2 3.66Å; V110-G112 WeakPolarHBondContact CG1-O 3.19Å; V110-R115 WeakPolarHBondContact CG1-O 3.42Å |
| 111 | V | 87.5 | Confident | 77.7 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 9.7 | -178.9 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | A65 T69 R115 K117 | A65-V111 HydrophobicContact CB-CG1 4.13Å; T69-V111 HydrophobicContact CG2-CB 3.83Å; T69-V111 HydrophobicContact CG2-CG1 3.88Å; V111-R115 HydrophobicContact CG2-CB 4.37Å; V111-R115 PolarHBondContact N-O 3.2Å; V111-K117 HydrophobicContact CG1-CB 4.24Å; V111-K117 HydrophobicContact CG1-CD 4.26Å; V111-K117 HydrophobicContact CG1-CG 4.42Å; V111-K117 HydrophobicContact CG2-CB 4.27Å; V111-K117 HydrophobicContact CG2-CD 3.85Å; V111-K117 HydrophobicContact CG2-CG 3.71Å |
| 112 | G | 81.9 | Confident | 76.8 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.9 | 171 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V110 G114 R115 | V110-G112 WeakPolarHBondContact CG1-O 3.19Å; G112-G114 PolarHBondContact O-N 2.94Å; G112-G114 VanDerWaalsContact O-N 3.07Å; G112-R115 PolarHBondContact N-O 3.49Å; G112-R115 PolarHBondContact O-N 3.01Å |
| 113 | I | 78.3 | Confident | 76 | Confident | 161 Ų | 161 | 49.3 Ų | 49.3 | 83% | 0.826 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 116.3 | 179.6 | -55.6 | 174.9 | 0 | 0 | 0 | 109.5 | R115 | I113-R115 VanDerWaalsContact C-N 3.25Å; I113-R115 PolarHBondContact O-N 3.05Å |
| 114 | G | 76.6 | Confident | 75.1 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 58% | 0.577 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 18.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F80 G112 | F80-G114 VanDerWaalsContact CZ-C 3.48Å; G112-G114 PolarHBondContact O-N 2.94Å; G112-G114 VanDerWaalsContact O-N 3.07Å |
| 115 | R | 84.3 | Confident | 74.1 | Confident | 187 Ų | 187 | 46.8 Ų | 46.8 | 71% | 0.706 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.6 | 178.5 | -60.8 | -175.4 | -171.5 | 177.6 | 4.6 | 112.8 | V110 V111 G112 I113 | V110-R115 WeakPolarHBondContact CG1-O 3.42Å; V111-R115 HydrophobicContact CG2-CB 4.37Å; V111-R115 PolarHBondContact N-O 3.2Å; G112-R115 PolarHBondContact N-O 3.49Å; G112-R115 PolarHBondContact O-N 3.01Å; I113-R115 VanDerWaalsContact C-N 3.25Å; I113-R115 PolarHBondContact O-N 3.05Å |
| 116 | F | 86.1 | Confident | 73.1 | Confident | 88 Ų | 88 | 49.9 Ų | 49.9 | 39% | 0.386 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 159.9 | 169.9 | 73.3 | -78 | 0 | 0 | 0 | 110.6 | F80 W108 C109 Y118 | F80-F116 HydrophobicContact CD1-CB 4.42Å; F80-F116 HydrophobicContact CE1-CB 3.96Å; F80-F116 AromaticContact CE1-CD1 3.64Å; F80-F116 HydrophobicContact CE1-CD1 3.64Å; F80-F116 HydrophobicContact CE1-CG 4.15Å; F80-F116 HydrophobicContact CZ-CB 4.2Å; F80-F116 HydrophobicContact CZ-CD1 4.17Å; W108-F116 HydrophobicContact CB-CD2 3.98Å; W108-F116 HydrophobicContact CD2-CB 4.44Å; W108-F116 AromaticContact CD2-CD2 3.77Å; W108-F116 HydrophobicContact CD2-CD2 3.77Å; W108-F116 HydrophobicContact CD2-CE2 4.39Å; W108-F116 HydrophobicContact CD2-CG 4.37Å; W108-F116 HydrophobicContact CE3-CB 3.57Å; W108-F116 AromaticContact CE3-CD2 3.76Å; W108-F116 HydrophobicContact CE3-CD2 3.76Å; W108-F116 AromaticContact CE3-CG 3.91Å; W108-F116 HydrophobicContact CE3-CG 3.91Å; W108-F116 AromaticContact CG-CD2 3.91Å; W108-F116 HydrophobicContact CG-CD2 3.91Å; W108-F116 HydrophobicContact CG-CE2 4.38Å; W108-F116 HydrophobicContact CZ3-CB 3.85Å; W108-F116 HydrophobicContact CZ3-CD2 4.42Å; W108-F116 HydrophobicContact CZ3-CG 4.23Å; C109-F116 VanDerWaalsContact O-CA 3.23Å; C109-F116 WeakPolarHBondContact O-CA 3.39Å; C109-F116 WeakPolarHBondContact O-CB 3.49Å; F116-Y118 HydrophobicContact CE2-CE1 4.32Å; F116-Y118 HydrophobicContact CE2-CE2 4.46Å; F116-Y118 AromaticContact CE2-CZ 3.99Å |
| 117 | K | 83.6 | Confident | 72.1 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 26% | 0.261 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.9 | 169.5 | -72.6 | 176.7 | -170.7 | 176.7 | 0 | 109.2 | A65 D67 T69 W108 C109 V111 | A65-K117 HydrophobicContact CB-CB 3.74Å; A65-K117 HydrophobicContact CB-CD 4.14Å; D67-K117 VanDerWaalsContact CG-NZ 3.27Å; D67-K117 VanDerWaalsContact OD1-CD 3.29Å; D67-K117 WeakPolarHBondContact OD1-CD 3.26Å; D67-K117 IonicContact OD1-NZ 2.91Å; D67-K117 PolarHBondContact OD1-NZ 3.43Å; D67-K117 VanDerWaalsContact OD1-NZ 3.11Å; D67-K117 WeakPolarHBondContact OD2-CD 3.48Å; D67-K117 WeakPolarHBondContact OD2-CE 3.16Å; D67-K117 IonicContact OD2-NZ 2.66Å; D67-K117 PolarHBondContact OD2-NZ 3.39Å; T69-K117 PolarHBondContact OG1-NZ 3.12Å; W108-K117 CarbonylContact C-O 3.51Å; W108-K117 VanDerWaalsContact CA-O 3.24Å; W108-K117 WeakPolarHBondContact CA-O 3.43Å; W108-K117 WeakPolarHBondContact CB-O 3.42Å; C109-K117 PolarHBondContact N-O 3.3Å; C109-K117 PolarHBondContact O-N 3.2Å; V111-K117 HydrophobicContact CG1-CB 4.24Å; V111-K117 HydrophobicContact CG1-CD 4.26Å; V111-K117 HydrophobicContact CG1-CG 4.42Å; V111-K117 HydrophobicContact CG2-CB 4.27Å; V111-K117 HydrophobicContact CG2-CD 3.85Å; V111-K117 HydrophobicContact CG2-CG 3.71Å |
| 118 | Y | 84.9 | Confident | 70.9 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 155.5 | 169.1 | -61.7 | -71.1 | 0 | 0 | 0 | 110.5 | A65 F66 D103 P107 W108 F116 P150 | A65-Y118 WeakPolarHBondContact CA-O 3.43Å; F66-Y118 WeakPolarHBondContact CD1-O 3.31Å; F66-Y118 PolarHBondContact N-O 2.8Å; D103-Y118 PolarHBondContact OD2-OH 3.16Å; P107-Y118 WeakPolarHBondContact O-CA 3.1Å; W108-Y118 HydrophobicContact CB-CD1 3.86Å; W108-Y118 HydrophobicContact CB-CE1 4.29Å; W108-Y118 HydrophobicContact CG-CD1 4.49Å; W108-Y118 HydrophobicContact CG-CE1 4.49Å; F116-Y118 HydrophobicContact CE2-CE1 4.32Å; F116-Y118 HydrophobicContact CE2-CE2 4.46Å; F116-Y118 AromaticContact CE2-CZ 3.99Å; Y118-P150 HydrophobicContact CD2-CG 4.12Å; Y118-P150 HydrophobicContact CE2-CG 4.11Å |
| 119 | C | 79.8 | Confident | 69.9 | Low | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | trans | -111 | 140.9 | 173.3 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | I64 C97 P107 V121 | I64-C119 WeakPolarHBondContact O-CB 2.95Å; I64-C119 PolarHBondContact O-SG 3.23Å; C97-C119 HydrophobicContact CB-CB 3.48Å; C97-C119 VanDerWaalsContact CB-CB 3.48Å; C97-C119 WeakPolarHBondContact CB-SG 3.5Å; C97-C119 WeakPolarHBondContact SG-CB 3.27Å; C97-C119 CovalentContact SG-SG 2.02Å; C97-C119 PolarHBondContact SG-SG 3.34Å; P107-C119 PolarHBondContact O-N 2.9Å; C119-V121 HydrophobicContact CB-CG2 4.01Å; C119-V121 PolarHBondContact O-N 2.66Å | ||
| 120 | D | 72.9 | Confident | 69.1 | Low | 94 Ų | 94 | 54.1 Ų | 54.1 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | trans | -71.1 | 102.8 | 168.9 | -176.8 | 26.8 | 0 | 0 | 0 | 108.9 | F66 | F66-D120 HydrophobicContact CB-CB 4.29Š| ||
| 121 | V | 65.3 | Low | 68.7 | Low | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | trans | -125.6 | 111.3 | -179.3 | 172.3 | 0 | 0 | 0 | 0 | 106.6 | Y58 V62 P107 C119 R123 | Y58-V121 HydrophobicContact CD1-CG1 4.33Å; Y58-V121 HydrophobicContact CD1-CG2 4.44Å; Y58-V121 HydrophobicContact CD2-CG1 3.72Å; Y58-V121 HydrophobicContact CE1-CG1 4.03Å; Y58-V121 HydrophobicContact CE1-CG2 3.83Å; Y58-V121 HydrophobicContact CE2-CG1 3.35Å; Y58-V121 HydrophobicContact CG-CG1 4.2Å; V62-V121 HydrophobicContact CB-CG2 4.5Å; P107-V121 HydrophobicContact CG-CB 3.62Å; P107-V121 HydrophobicContact CG-CG1 4.07Å; P107-V121 HydrophobicContact CG-CG2 3.59Å; C119-V121 HydrophobicContact CB-CG2 4.01Å; C119-V121 PolarHBondContact O-N 2.66Å; V121-R123 PolarHBondContact O-N 3.02Å | ||
| 122 | P | 51 | Low | 67.9 | Low | 89 Ų | 89 | 58.7 Ų | 58.7 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -52 | 125.8 | -174.5 | -32.1 | 36.6 | 0 | 0 | 0 | 113.1 | Y48 | Y48-P122 PolarHBondContact OH-O 2.9Š|
| 123 | R | 49.6 | Very low | 67.9 | Low | 60 Ų | 60 | 61.3 Ų | 61.3 | 23% | 0.226 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 160.9 | 176.9 | -67.7 | 177 | 173.5 | -161.2 | -4.1 | 111 | V121 I128 Q142 D143 Q144 | V121-R123 PolarHBondContact O-N 3.02Å; R123-I128 HydrophobicContact CB-CD1 4.16Å; R123-I128 HydrophobicContact CB-CG1 4.43Å; R123-Q142 VanDerWaalsContact NH1-OE1 3.13Å; R123-D143 IonicContact CZ-OD1 2.57Å; R123-D143 IonicContact NH1-OD1 3.02Å; R123-D143 PolarHBondContact NH1-OD1 2.93Å; R123-D143 IonicContact NH2-OD1 3.67Å; R123-D143 PolarHBondContact NH2-OD1 3.14Å; R123-Q144 VanDerWaalsContact CZ-CD 3.48Å; R123-Q144 VanDerWaalsContact CZ-OE1 3.26Å; R123-Q144 VanDerWaalsContact NH2-CD 3.31Å |
| 124 | C | 49.1 | Very low | 67.8 | Low | 14 Ų | 14 | 56.2 Ų | 56.2 | 10% | 0.095 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 127.5 | 178.3 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | P50 E126 H127 A302 | P50-C124 HydrophobicContact CB-CB 4.43Å; P50-C124 VanDerWaalsContact CB-SG 3.6Å; P50-C124 PolarHBondContact O-SG 2.87Å; C124-E126 PolarHBondContact O-N 2.68Å; C124-E126 VanDerWaalsContact O-N 3.08Å; C124-H127 PolarHBondContact O-N 3.41Å; C124-A302 HydrophobicContact CB-CB 3.55Å |
| 125 | A | 41.8 | Very low | 68 | Low | 42 Ų | 42 | 53.6 Ų | 53.6 | 35% | 0.347 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.9 | -25.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H127 I128 G129 | A125-H127 PolarHBondContact O-N 3.5Å; A125-I128 PolarHBondContact O-N 3.34Å; A125-I128 VanDerWaalsContact O-N 3.11Å; A125-G129 PolarHBondContact O-N 2.97Å |
| 126 | E | 43.1 | Very low | 67.7 | Low | 68 Ų | 68 | 47.1 Ų | 47.1 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -49.3 | -51.3 | 174.8 | -178.4 | -179.4 | -153 | 0 | 0 | 113.1 | C124 F345 W346 | C124-E126 PolarHBondContact O-N 2.68Å; C124-E126 VanDerWaalsContact O-N 3.08Å; E126-F345 VanDerWaalsContact OE2-CE1 3.23Å; E126-F345 WeakPolarHBondContact OE2-CE1 3.23Å; E126-W346 HydrophobicContact CB-CH2 3.91Å; E126-W346 HydrophobicContact CB-CZ3 4.43Å; E126-W346 HydrophobicContact CG-CH2 3.76Å; E126-W346 HydrophobicContact CG-CZ3 3.77Å; E126-W346 WeakPolarHBondContact OE1-CZ3 3.34Å |
| 127 | H | 49.7 | Very low | 67.1 | Low | 89 Ų | 89 | 48.1 Ų | 48.1 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -79.2 | -18.2 | -179.6 | -76.4 | -77.2 | 0 | 0 | 0 | 113.1 | C124 A125 D141 Q142 | C124-H127 PolarHBondContact O-N 3.41Å; A125-H127 PolarHBondContact O-N 3.5Å; H127-D141 HydrophobicContact CB-CB 3.91Å; H127-D141 IonicContact CE1-OD2 2.91Å; H127-D141 IonicContact CG-OD2 3.78Å; H127-D141 IonicContact ND1-OD2 3.65Å; H127-D141 PolarHBondContact ND1-OD2 2.94Å; H127-D141 CarbonylContact O-C 3.56Å; H127-D141 WeakPolarHBondContact O-CA 3.04Å; H127-D141 WeakPolarHBondContact O-CB 3.35Å; H127-D141 PolarHBondContact O-N 3.23Å; H127-Q142 PolarHBondContact O-N 3.08Å |
| 128 | I | 58.7 | Low | 66.9 | Low | 22 Ų | 22 | 45.7 Ų | 45.7 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.1 | -39.9 | 174.1 | -54.2 | 177.3 | 0 | 0 | 0 | 109.6 | R123 A125 Y138 Q142 I223 | R123-I128 HydrophobicContact CB-CD1 4.16Å; R123-I128 HydrophobicContact CB-CG1 4.43Å; A125-I128 PolarHBondContact O-N 3.34Å; A125-I128 VanDerWaalsContact O-N 3.11Å; I128-Y138 VanDerWaalsContact O-CE2 3.27Å; I128-Y138 WeakPolarHBondContact O-CE2 3.16Å; I128-Y138 PolarHBondContact O-OH 3.43Å; I128-Q142 HydrophobicContact CG2-CB 4.39Å; I128-I223 HydrophobicContact CG2-CB 4.35Å; I128-I223 HydrophobicContact CG2-CG1 4.3Å; I128-I223 HydrophobicContact CG2-CG2 4.19Å |
| 129 | G | 67.5 | Low | 66.3 | Low | 5 Ų | 5 | 47 Ų | 47 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | trans | 62.8 | -152.1 | -171 | 0 | 0 | 0 | 0 | 0 | 111.8 | A125 | A125-G129 PolarHBondContact O-N 2.97Š| ||
| 130 | C | 73.2 | Confident | 66 | Low | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.054 | 28% | 0.279 | C | S | . | . | trans | -143 | 167.4 | 166.5 | 62.3 | 0 | 0 | 0 | 0 | 109.1 | P224 C226 | C130-P224 VanDerWaalsContact CA-O 3.23Å; C130-P224 WeakPolarHBondContact CA-O 3.22Å; C130-P224 HydrophobicContact CB-CG 4.42Å; C130-P224 VanDerWaalsContact CB-O 3.32Å; C130-P224 WeakPolarHBondContact CB-O 3.4Å; C130-C226 HydrophobicContact CB-CB 3.97Å; C130-C226 WeakPolarHBondContact CB-SG 3.25Å; C130-C226 WeakPolarHBondContact SG-CA 3.38Å; C130-C226 WeakPolarHBondContact SG-CB 2.97Å; C130-C226 CovalentContact SG-SG 2.04Å; C130-C226 PolarHBondContact SG-SG 2.86Å | ||
| 131 | Y | 77.9 | Confident | 66.2 | Low | 10 Ų | 10 | 45.7 Ų | 45.7 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -120.8 | 152.9 | 175.6 | 80.1 | -83.4 | 0 | 0 | 0 | 112.8 | G133 Q203 P204 I223 P224 K225 C226 | Y131-G133 WeakPolarHBondContact CE2-O 3.37Å; Y131-Q203 HydrophobicContact CE2-CB 4.05Å; Y131-Q203 WeakPolarHBondContact OH-CB 3.4Å; Y131-P204 HydrophobicContact CG-CG 4.43Å; Y131-I223 HydrophobicContact CD1-CB 4.17Å; Y131-I223 HydrophobicContact CD1-CG2 3.91Å; Y131-I223 WeakPolarHBondContact CE1-O 3.5Å; Y131-P224 PolarHBondContact N-O 2.84Å; Y131-P224 VanDerWaalsContact N-O 3.13Å; Y131-K225 HydrophobicContact CD1-CG 4.36Å; Y131-K225 HydrophobicContact CE1-CG 3.73Å; Y131-K225 HydrophobicContact CE2-CG 4.22Å; Y131-K225 WeakPolarHBondContact O-CA 3.42Å; Y131-K225 WeakPolarHBondContact OH-CE 3.44Å; Y131-C226 PolarHBondContact O-N 3.22Å |
| 132 | E | 70.7 | Confident | 66.9 | Low | 111 Ų | 111 | 45.5 Ų | 45.5 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | trans | -111 | 153.8 | 172.1 | -64.5 | -172.3 | -173.5 | 0 | 0 | 109.9 | N134 G135 C226 | E132-N134 PolarHBondContact O-N 3.19Å; E132-N134 VanDerWaalsContact O-N 3.12Å; E132-G135 PolarHBondContact O-N 2.88Å; E132-C226 HydrophobicContact CG-CB 3.95Å | ||
| 133 | G | 81.1 | Confident | 68.2 | Low | 73 Ų | 73 | 41.5 Ų | 41.5 | 75% | 0.753 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -116.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y131 | Y131-G133 WeakPolarHBondContact CE2-O 3.37Š|
| 134 | N | 77.1 | Confident | 69.4 | Low | 54 Ų | 54 | 39.3 Ų | 39.3 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 5.9 | 173.7 | 69.9 | -9.5 | 0 | 0 | 0 | 113.6 | E132 A136 N196 G199 K201 S202 Q203 | E132-N134 PolarHBondContact O-N 3.19Å; E132-N134 VanDerWaalsContact O-N 3.12Å; N134-A136 PolarHBondContact O-N 2.84Å; N134-A136 WeakPolarHBondContact OD1-CB 3.48Å; N134-A136 PolarHBondContact OD1-N 2.91Å; N134-N196 PolarHBondContact O-ND2 2.85Å; N134-G199 PolarHBondContact ND2-O 2.97Å; N134-K201 PolarHBondContact ND2-O 2.88Å; N134-S202 WeakPolarHBondContact CA-O 3.39Å; N134-S202 WeakPolarHBondContact CB-O 3.37Å; N134-Q203 WeakPolarHBondContact O-CA 3.32Å |
| 135 | G | 81.7 | Confident | 70.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | 67.1 | 30.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E132 D137 Y138 N196 | E132-G135 PolarHBondContact O-N 2.88Å; G135-D137 PolarHBondContact O-N 2.94Å; G135-Y138 WeakPolarHBondContact O-CB 3.46Å; G135-Y138 PolarHBondContact O-N 2.82Å; G135-N196 WeakPolarHBondContact O-CB 3.37Å | ||
| 136 | A | 76.9 | Confident | 72.2 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N134 | N134-A136 PolarHBondContact O-N 2.84Å; N134-A136 WeakPolarHBondContact OD1-CB 3.48Å; N134-A136 PolarHBondContact OD1-N 2.91Å |
| 137 | D | 73 | Confident | 73.3 | Confident | 109 Ų | 109 | 40.7 Ų | 40.7 | 58% | 0.583 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -8 | 178.5 | 65.4 | -33.7 | 0 | 0 | 0 | 114 | G135 N139 | G135-D137 PolarHBondContact O-N 2.94Å; D137-N139 PolarHBondContact O-N 2.89Å |
| 138 | Y | 79.4 | Confident | 74.1 | Confident | 8 Ų | 8 | 37 Ų | 37 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | trans | -56.7 | 122.2 | -173.9 | 171.8 | -97.5 | 0 | 0 | 0 | 112.3 | I128 G135 G140 Q142 C194 R195 P204 I223 | I128-Y138 VanDerWaalsContact O-CE2 3.27Å; I128-Y138 WeakPolarHBondContact O-CE2 3.16Å; I128-Y138 PolarHBondContact O-OH 3.43Å; G135-Y138 WeakPolarHBondContact O-CB 3.46Å; G135-Y138 PolarHBondContact O-N 2.82Å; Y138-G140 WeakPolarHBondContact OH-CA 3.39Å; Y138-Q142 WeakPolarHBondContact OH-CB 3.07Å; Y138-Q142 PolarHBondContact OH-N 3.42Å; Y138-C194 VanDerWaalsContact CD1-O 3.3Å; Y138-C194 WeakPolarHBondContact CD1-O 3.06Å; Y138-C194 WeakPolarHBondContact CE1-O 3.36Å; Y138-R195 VanDerWaalsContact O-CD 3.25Å; Y138-R195 WeakPolarHBondContact O-CD 3.48Å; Y138-P204 HydrophobicContact CD1-CB 4.14Å; Y138-P204 HydrophobicContact CD1-CG 4.1Å; Y138-P204 HydrophobicContact CG-CG 4.02Å; Y138-I223 HydrophobicContact CD1-CD1 4.13Å; Y138-I223 HydrophobicContact CD2-CD1 4.49Å; Y138-I223 HydrophobicContact CD2-CG2 4.33Å; Y138-I223 HydrophobicContact CE1-CD1 3.63Å; Y138-I223 HydrophobicContact CE2-CD1 4.03Å; Y138-I223 HydrophobicContact CE2-CG2 3.78Å | ||
| 139 | N | 73.9 | Confident | 74.8 | Confident | 63 Ų | 63 | 36.4 Ų | 36.4 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | trans | -116.7 | -2.1 | -171.4 | 59.5 | 7.3 | 0 | 0 | 0 | 114.9 | D137 R195 Y354 | D137-N139 PolarHBondContact O-N 2.89Å; N139-R195 PolarHBondContact O-NH2 2.77Å; N139-Y354 HydrophobicContact CB-CD1 4.11Å; N139-Y354 HydrophobicContact CB-CD2 3.88Å; N139-Y354 HydrophobicContact CB-CE1 4.27Å; N139-Y354 HydrophobicContact CB-CE2 4.07Å; N139-Y354 HydrophobicContact CB-CG 3.91Å | ||
| 140 | G | 73.5 | Confident | 75.3 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | trans | -65.6 | 178.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y138 R195 | Y138-G140 WeakPolarHBondContact OH-CA 3.39Å; G140-R195 PolarHBondContact O-NH1 3.27Å; G140-R195 PolarHBondContact O-NH2 3.13Å | ||
| 141 | D | 75.7 | Confident | 75.7 | Confident | 61 Ų | 61 | 36 Ų | 36 | 33% | 0.326 | 22% | 0.219 | S | C | . | . | trans | -100.3 | 1.1 | -168.5 | -92.6 | -27.5 | 0 | 0 | 0 | 114.8 | H127 D143 | H127-D141 HydrophobicContact CB-CB 3.91Å; H127-D141 IonicContact CE1-OD2 2.91Å; H127-D141 IonicContact CG-OD2 3.78Å; H127-D141 IonicContact ND1-OD2 3.65Å; H127-D141 PolarHBondContact ND1-OD2 2.94Å; H127-D141 CarbonylContact O-C 3.56Å; H127-D141 WeakPolarHBondContact O-CA 3.04Å; H127-D141 WeakPolarHBondContact O-CB 3.35Å; H127-D141 PolarHBondContact O-N 3.23Å; D141-D143 PolarHBondContact O-N 3.37Å | ||
| 142 | Q | 79.5 | Confident | 75.9 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -56.1 | 127.6 | -178.3 | 175.7 | 61.4 | -56 | 0 | 0 | 111.1 | R123 H127 I128 Y138 A193 C194 C221 D222 I223 | R123-Q142 VanDerWaalsContact NH1-OE1 3.13Å; H127-Q142 PolarHBondContact O-N 3.08Å; I128-Q142 HydrophobicContact CG2-CB 4.39Å; Y138-Q142 WeakPolarHBondContact OH-CB 3.07Å; Y138-Q142 PolarHBondContact OH-N 3.42Å; Q142-A193 CarbonylContact O-C 3.54Å; Q142-A193 WeakPolarHBondContact O-CA 3.32Å; Q142-C194 PolarHBondContact O-N 3.49Å; Q142-C194 PolarHBondContact O-SG 3.28Å; Q142-C194 VanDerWaalsContact O-SG 3.34Å; Q142-C221 HydrophobicContact CG-CB 4.37Å; Q142-D222 PolarHBondContact NE2-O 2.96Å; Q142-I223 HydrophobicContact CB-CD1 4.33Å; Q142-I223 HydrophobicContact CB-CG1 3.99Å; Q142-I223 HydrophobicContact CG-CD1 4.42Å; Q142-I223 HydrophobicContact CG-CG1 3.86Å | ||
| 143 | D | 79.7 | Confident | 76.3 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | trans | -132.7 | 30.3 | -178.2 | 70.5 | 18.3 | 0 | 0 | 0 | 112.7 | R54 R123 D141 C151 R192 | R54-D143 IonicContact CZ-OD2 3.96Å; R54-D143 IonicContact NH2-OD2 3.12Å; R54-D143 PolarHBondContact NH2-OD2 3.31Å; R123-D143 IonicContact CZ-OD1 2.57Å; R123-D143 IonicContact NH1-OD1 3.02Å; R123-D143 PolarHBondContact NH1-OD1 2.93Å; R123-D143 IonicContact NH2-OD1 3.67Å; R123-D143 PolarHBondContact NH2-OD1 3.14Å; D141-D143 PolarHBondContact O-N 3.37Å; D143-C151 HydrophobicContact CB-CB 4.26Å; D143-C151 VanDerWaalsContact O-CB 3.3Å; D143-C151 WeakPolarHBondContact O-CB 3.19Å; D143-C151 PolarHBondContact O-N 3.16Å; D143-C151 PolarHBondContact O-SG 2.89Å; D143-C151 VanDerWaalsContact O-SG 3.33Å; D143-R192 HydrophobicContact CB-CB 3.88Å | ||
| 144 | Q | 74.3 | Confident | 76.1 | Confident | 13 Ų | 13 | 30.7 Ų | 30.7 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -126.4 | 147.8 | 170.8 | -79.6 | 171.2 | -33.4 | 0 | 0 | 111.8 | S105 R123 Q149 C221 | S105-Q144 PolarHBondContact O-NE2 2.94Å; R123-Q144 VanDerWaalsContact CZ-CD 3.48Å; R123-Q144 VanDerWaalsContact CZ-OE1 3.26Å; R123-Q144 VanDerWaalsContact NH2-CD 3.31Å; Q144-Q149 CarbonylContact C-O 3.51Å; Q144-Q149 VanDerWaalsContact CA-O 3.29Å; Q144-Q149 WeakPolarHBondContact CA-O 3.49Å; Q144-C221 VanDerWaalsContact O-CB 3.27Å; Q144-C221 WeakPolarHBondContact O-CB 3.17Å; Q144-C221 PolarHBondContact O-SG 3.46Å |
| 145 | T | 78.9 | Confident | 75.9 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 171.5 | 175.8 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | D147 G148 Q149 P208 Q219 H220 | T145-D147 PolarHBondContact O-N 2.62Å; T145-G148 PolarHBondContact O-N 3.35Å; T145-Q149 PolarHBondContact N-O 3.48Å; T145-Q149 WeakPolarHBondContact OG1-CB 3.46Å; T145-Q149 PolarHBondContact OG1-N 3.1Å; T145-P208 HydrophobicContact CG2-CB 4.31Å; T145-Q219 HydrophobicContact CG2-CB 3.57Å; T145-Q219 HydrophobicContact CG2-CG 4.44Å; T145-Q219 PolarHBondContact OG1-OE1 3.06Å; T145-H220 CarbonylContact C-O 3.59Å; T145-H220 VanDerWaalsContact CA-O 3.25Å; T145-H220 WeakPolarHBondContact CA-O 3.38Å; T145-H220 WeakPolarHBondContact CB-O 3.36Å |
| 146 | T | 71.5 | Confident | 74.9 | Confident | 77 Ų | 77 | 35 Ų | 35 | 47% | 0.472 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -24.5 | 173.7 | 46.2 | 0 | 0 | 0 | 0 | 114.1 | G148 H220 | T146-G148 VanDerWaalsContact C-N 3.34Å; T146-H220 HydrophobicContact CG2-CB 4.45Å; T146-H220 PolarHBondContact N-O 2.92Å |
| 147 | D | 64.7 | Low | 73.8 | Confident | 75 Ų | 75 | 33.5 Ų | 33.5 | 40% | 0.401 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 18.1 | -176.4 | -33.9 | -15.9 | 0 | 0 | 0 | 111.2 | F66 T145 Q149 Q219 | F66-D147 VanDerWaalsContact CD2-O 3.32Å; F66-D147 WeakPolarHBondContact CD2-O 3.31Å; T145-D147 PolarHBondContact O-N 2.62Å; D147-Q149 HydrophobicContact CB-CG 4.31Å; D147-Q149 PolarHBondContact O-N 3.48Å; D147-Q149 PolarHBondContact OD2-NE2 2.67Å; D147-Q219 PolarHBondContact OD2-NE2 3.1Å |
| 148 | G | 67.1 | Low | 72.7 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 71.5 | 2.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T145 T146 | T145-G148 PolarHBondContact O-N 3.35Å; T146-G148 VanDerWaalsContact C-N 3.34Å |
| 149 | Q | 74 | Confident | 71.2 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 133.4 | -173.4 | -56 | -179.9 | 45.1 | 0 | 0 | 111.4 | F66 Q144 T145 D147 P208 | F66-Q149 HydrophobicContact CE2-CG 3.97Å; F66-Q149 HydrophobicContact CZ-CG 4.4Å; Q144-Q149 CarbonylContact C-O 3.51Å; Q144-Q149 VanDerWaalsContact CA-O 3.29Å; Q144-Q149 WeakPolarHBondContact CA-O 3.49Å; T145-Q149 PolarHBondContact N-O 3.48Å; T145-Q149 WeakPolarHBondContact OG1-CB 3.46Å; T145-Q149 PolarHBondContact OG1-N 3.1Å; D147-Q149 HydrophobicContact CB-CG 4.31Å; D147-Q149 PolarHBondContact O-N 3.48Å; D147-Q149 PolarHBondContact OD2-NE2 2.67Å; Q149-P208 HydrophobicContact CB-CB 4.17Å |
| 150 | P | 76.5 | Confident | 70 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 137.1 | -179.4 | 27.8 | -34.8 | 0 | 0 | 0 | 112.2 | Y118 I209 | Y118-P150 HydrophobicContact CD2-CG 4.12Å; Y118-P150 HydrophobicContact CE2-CG 4.11Å; P150-I209 HydrophobicContact CB-CD1 4.07Å; P150-I209 HydrophobicContact CG-CD1 4.07Å; P150-I209 WeakPolarHBondContact O-CG1 3.33Å; P150-I209 PolarHBondContact O-N 2.61Å |
| 151 | C | 81.8 | Confident | 68.4 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 141.4 | 178.4 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | D143 R192 C194 C206 Y207 | D143-C151 HydrophobicContact CB-CB 4.26Å; D143-C151 VanDerWaalsContact O-CB 3.3Å; D143-C151 WeakPolarHBondContact O-CB 3.19Å; D143-C151 PolarHBondContact O-N 3.16Å; D143-C151 PolarHBondContact O-SG 2.89Å; D143-C151 VanDerWaalsContact O-SG 3.33Å; C151-R192 HydrophobicContact CB-CB 4.38Å; C151-R192 VanDerWaalsContact CB-O 3.24Å; C151-R192 WeakPolarHBondContact CB-O 3.5Å; C151-R192 VanDerWaalsContact O-CD 3.23Å; C151-R192 WeakPolarHBondContact O-CD 3.45Å; C151-R192 PolarHBondContact O-NE 3.09Å; C151-C194 VanDerWaalsContact SG-SG 3.62Å; C151-C206 HydrophobicContact CB-CB 3.67Å; C151-C206 WeakPolarHBondContact CB-SG 3.49Å; C151-C206 WeakPolarHBondContact SG-CB 3.32Å; C151-C206 CovalentContact SG-SG 2.03Å; C151-C206 PolarHBondContact SG-SG 3.06Å; C151-Y207 CarbonylContact C-O 3.58Å |
| 152 | A | 81.9 | Confident | 66.8 | Low | 20 Ų | 20 | 51.7 Ų | 51.7 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 158.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W154 Y207 I209 | A152-W154 PolarHBondContact O-N 2.88Å; A152-Y207 WeakPolarHBondContact CB-O 3.36Å; A152-Y207 PolarHBondContact N-O 2.8Å; A152-I209 HydrophobicContact CB-CG1 4.09Å |
| 153 | K | 80.5 | Confident | 65.1 | Low | 60 Ų | 60 | 58.4 Ų | 58.4 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 124.3 | 177.6 | -65.1 | 174 | 166.2 | -156.6 | 0 | 109.8 | R155 V156 S157 D189 N190 F191 R192 | K153-R155 PolarHBondContact O-N 3.4Å; K153-R155 VanDerWaalsContact O-N 3.14Å; K153-V156 HydrophobicContact CB-CB 4.35Å; K153-V156 HydrophobicContact CB-CG2 3.99Å; K153-V156 PolarHBondContact O-N 3.17Å; K153-S157 PolarHBondContact O-N 2.85Å; K153-D189 WeakPolarHBondContact CD-O 3.48Å; K153-D189 WeakPolarHBondContact CE-O 3.4Å; K153-D189 PolarHBondContact NZ-O 3.24Å; K153-N190 WeakPolarHBondContact CE-OD1 3.47Å; K153-N190 PolarHBondContact NZ-OD1 3.14Å; K153-F191 WeakPolarHBondContact CA-O 3.42Å; K153-R192 HydrophobicContact CG-CG 3.85Å |
| 154 | W | 76.6 | Confident | 63.5 | Low | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.7 | -34.2 | -177 | -78.8 | 93.1 | 0 | 0 | 0 | 113.2 | A152 V156 S157 N158 Y169 F191 A193 R195 P197 W205 Y207 I357 | A152-W154 PolarHBondContact O-N 2.88Å; W154-V156 VanDerWaalsContact C-N 3.27Å; W154-V156 PolarHBondContact O-N 2.04Å; W154-S157 WeakPolarHBondContact CA-OG 3.37Å; W154-S157 PolarHBondContact O-OG 2.91Å; W154-N158 PolarHBondContact O-OD1 3.19Å; W154-Y169 HydrophobicContact CB-CE1 4.08Å; W154-Y169 PolarHBondContact O-OH 3Å; W154-F191 AromaticContact CD1-CD1 3.9Å; W154-F191 AromaticContact CD1-CE1 3.99Å; W154-F191 HydrophobicContact CG-CD1 4.43Å; W154-F191 PolarHBondContact N-O 1.72Å; W154-F191 VanDerWaalsContact N-O 3.11Å; W154-A193 PolarHBondContact NE1-O 2.69Å; W154-R195 HydrophobicContact CZ2-CB 4Å; W154-P197 HydrophobicContact CH2-CG 3.82Å; W154-P197 HydrophobicContact CZ3-CG 4.04Å; W154-W205 HydrophobicContact CH2-CD2 4.12Å; W154-W205 AromaticContact CH2-CE3 3.77Å; W154-W205 HydrophobicContact CH2-CE3 3.77Å; W154-W205 AromaticContact CH2-CH2 3.56Å; W154-W205 HydrophobicContact CH2-CH2 3.56Å; W154-W205 AromaticContact CH2-CZ2 3.89Å; W154-W205 HydrophobicContact CH2-CZ2 3.89Å; W154-W205 AromaticContact CH2-CZ3 3.48Å; W154-W205 HydrophobicContact CH2-CZ3 3.48Å; W154-W205 VanDerWaalsContact CH2-CZ3 3.48Å; W154-W205 HydrophobicContact CZ2-CE3 4.48Å; W154-W205 HydrophobicContact CZ2-CZ3 4.48Å; W154-W205 WeakPolarHBondContact CZ2-O 3.35Å; W154-W205 HydrophobicContact CZ3-CE3 4.45Å; W154-W205 AromaticContact CZ3-CH2 3.58Å; W154-W205 HydrophobicContact CZ3-CH2 3.58Å; W154-W205 HydrophobicContact CZ3-CZ2 4.22Å; W154-W205 AromaticContact CZ3-CZ3 3.71Å; W154-W205 HydrophobicContact CZ3-CZ3 3.71Å; W154-Y207 HydrophobicContact CE3-CE2 4.49Å; W154-Y207 HydrophobicContact CZ3-CE2 4.35Å; W154-I357 HydrophobicContact CD2-CD1 3.47Å; W154-I357 VanDerWaalsContact CD2-CD1 3.47Å; W154-I357 HydrophobicContact CE3-CD1 3.72Å; W154-I357 HydrophobicContact CG-CD1 3.93Å; W154-I357 HydrophobicContact CH2-CD1 4.08Å; W154-I357 HydrophobicContact CZ2-CD1 3.85Å; W154-I357 HydrophobicContact CZ3-CD1 4.02Å |
| 155 | R | 72.9 | Confident | 62.4 | Low | 75 Ų | 75 | 63.1 Ų | 63.1 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -34.4 | 173.9 | -175.3 | 176.1 | -179.9 | 164.7 | 7.7 | 112.9 | K153 S159 T183 D189 | K153-R155 PolarHBondContact O-N 3.4Å; K153-R155 VanDerWaalsContact O-N 3.14Å; R155-S159 PolarHBondContact O-OG 3.13Å; R155-T183 PolarHBondContact NE-O 2.57Å; R155-T183 VanDerWaalsContact NE-O 3.07Å; R155-T183 PolarHBondContact NH2-O 3.06Å; R155-D189 WeakPolarHBondContact CD-OD1 3.46Å; R155-D189 IonicContact CZ-OD1 2.85Å; R155-D189 IonicContact NE-OD1 3.11Å; R155-D189 IonicContact NH1-OD1 3.84Å; R155-D189 PolarHBondContact NH1-OD1 3.38Å; R155-D189 IonicContact NH1-OD2 3.7Å; R155-D189 PolarHBondContact NH1-OD2 3.24Å |
| 156 | V | 59.4 | Low | 61.6 | Low | 69 Ų | 69 | 68.9 Ų | 68.9 | 42% | 0.418 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -93 | -23.9 | -171.9 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | K153 W154 | K153-V156 HydrophobicContact CB-CB 4.35Å; K153-V156 HydrophobicContact CB-CG2 3.99Å; K153-V156 PolarHBondContact O-N 3.17Å; W154-V156 VanDerWaalsContact C-N 3.27Å; W154-V156 PolarHBondContact O-N 2.04Å |
| 157 | S | 55.1 | Low | 61.4 | Low | 20 Ų | 20 | 66.2 Ų | 66.2 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 170.8 | 37.4 | 0 | 0 | 0 | 0 | 111.9 | K153 W154 S159 R160 Y207 | K153-S157 PolarHBondContact O-N 2.85Å; W154-S157 WeakPolarHBondContact CA-OG 3.37Å; W154-S157 PolarHBondContact O-OG 2.91Å; S157-S159 VanDerWaalsContact C-N 3.25Å; S157-S159 PolarHBondContact O-N 2.99Å; S157-R160 PolarHBondContact O-N 2.66Å; S157-Y207 WeakPolarHBondContact OG-CD2 3.39Å |
| 158 | N | 50.4 | Low | 62 | Low | 63 Ų | 63 | 69.1 Ų | 69.1 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.4 | -177.3 | -64.4 | 4.7 | 0 | 0 | 0 | 113.2 | W154 R160 Y169 | W154-N158 PolarHBondContact O-OD1 3.19Å; N158-R160 PolarHBondContact O-N 3.05Å; N158-R160 VanDerWaalsContact O-N 3.14Å; N158-Y169 PolarHBondContact ND2-OH 2.73Å |
| 159 | S | 47.4 | Very low | 62.4 | Low | 94 Ų | 94 | 68.8 Ų | 68.8 | 66% | 0.657 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -2.7 | 179.9 | -36.1 | 0 | 0 | 0 | 0 | 114.2 | R155 S157 K161 | R155-S159 PolarHBondContact O-OG 3.13Å; S157-S159 VanDerWaalsContact C-N 3.25Å; S157-S159 PolarHBondContact O-N 2.99Å; S159-K161 PolarHBondContact O-N 2.88Å |
| 160 | R | 48.3 | Very low | 62.6 | Low | 153 Ų | 153 | 72 Ų | 72 | 58% | 0.577 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -101.8 | 77.4 | -169.8 | -69.2 | -177.8 | 169.6 | 173.8 | -0.2 | 113.4 | S157 N158 | S157-R160 PolarHBondContact O-N 2.66Å; N158-R160 PolarHBondContact O-N 3.05Å; N158-R160 VanDerWaalsContact O-N 3.14Å |
| 161 | K | 40.7 | Very low | 62.7 | Low | 172 Ų | 172 | 72.4 Ų | 72.4 | 75% | 0.748 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 72.8 | 95.2 | 164.3 | -61.8 | -163.2 | 171.8 | -162.7 | 0 | 117.9 | S159 I163 | S159-K161 PolarHBondContact O-N 2.88Å; K161-I163 PolarHBondContact O-N 3.38Å |
| 162 | D | 42.1 | Very low | 62.1 | Low | 152 Ų | 152 | 74.6 Ų | 74.6 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | S | Bend | 74.3 | -32 | 129.3 | -44.1 | -28.7 | 0 | 0 | 0 | 120.5 | |||
| 163 | I | 42.6 | Very low | 61.3 | Low | 148 Ų | 148 | 78.9 Ų | 78.9 | 76% | 0.759 | 39% | 0.392 | S | S | * | . | trans | -141.6 | 35.4 | 177.9 | -29.7 | 177.4 | 0 | 0 | 0 | 113.3 | K161 | K161-I163 PolarHBondContact O-N 3.38Š| ||
| 164 | G | 45.7 | Very low | 60.4 | Low | 58 Ų | 58 | 79.6 Ų | 79.6 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 145 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I166 | G164-I166 PolarHBondContact O-N 3.34Š|
| 165 | P | 53.1 | Low | 59.5 | Low | 59 Ų | 59 | 87 Ų | 87 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 136 | 171.3 | 27.7 | -34.1 | 0 | 0 | 0 | 110.3 | Y167 K359 | P165-Y167 HydrophobicContact CG-CE2 4.12Å; P165-Y167 WeakPolarHBondContact O-CD2 3.4Å; P165-K359 HydrophobicContact CB-CG 4.46Å |
| 166 | I | 60.5 | Low | 59 | Low | 123 Ų | 123 | 89.5 Ų | 89.5 | 63% | 0.631 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 133.4 | 177.7 | -60.8 | 173.9 | 0 | 0 | 0 | 108.6 | G164 V360 | G164-I166 PolarHBondContact O-N 3.34Å; I166-V360 HydrophobicContact CB-CB 4.25Å; I166-V360 HydrophobicContact CG2-CB 4.34Å; I166-V360 HydrophobicContact CG2-CG2 4.16Å; I166-V360 WeakPolarHBondContact O-CB 3.46Å; I166-V360 WeakPolarHBondContact O-CG2 3.31Å; I166-V360 PolarHBondContact O-N 3.32Å |
| 167 | Y | 69 | Low | 59.4 | Low | 22 Ų | 22 | 89.2 Ų | 89.2 | 9% | 0.086 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.3 | 173.8 | -63.5 | -74.9 | 0 | 0 | 0 | 110.6 | P165 P197 I357 E358 K359 | P165-Y167 HydrophobicContact CG-CE2 4.12Å; P165-Y167 WeakPolarHBondContact O-CD2 3.4Å; Y167-P197 HydrophobicContact CD1-CB 3.91Å; Y167-P197 HydrophobicContact CD1-CG 4.41Å; Y167-P197 HydrophobicContact CE1-CB 3.72Å; Y167-P197 HydrophobicContact CE1-CG 4.08Å; Y167-I357 HydrophobicContact CD1-CG2 3.76Å; Y167-I357 HydrophobicContact CG-CG2 3.9Å; Y167-E358 CarbonylContact C-O 3.53Å; Y167-E358 VanDerWaalsContact CA-O 3.3Å; Y167-E358 WeakPolarHBondContact CA-O 3.28Å; Y167-K359 HydrophobicContact CD1-CB 4.26Å; Y167-K359 HydrophobicContact CE1-CB 4.14Å; Y167-K359 HydrophobicContact CE1-CG 4.37Å |
| 168 | R | 75.3 | Confident | 60.2 | Low | 135 Ų | 135 | 91.1 Ų | 91.1 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 142.9 | 161.8 | -82.9 | 168.9 | -172.8 | 162.5 | 2.3 | 108.6 | I357 E358 V360 | R168-I357 WeakPolarHBondContact O-CA 2.99Å; R168-E358 HydrophobicContact CB-CB 4.28Å; R168-E358 PolarHBondContact N-O 2.84Å; R168-E358 PolarHBondContact O-N 2.84Å; R168-V360 HydrophobicContact CB-CG2 4.17Å; R168-V360 HydrophobicContact CG-CG2 3.61Å |
| 169 | Y | 77.1 | Confident | 61.5 | Low | 3 Ų | 3 | 91.1 Ų | 91.1 | 1% | 0.012 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.7 | 175.4 | -61.4 | -79.7 | 0 | 0 | 0 | 108.7 | W154 N158 L181 T183 L188 I355 I357 | W154-Y169 HydrophobicContact CB-CE1 4.08Å; W154-Y169 PolarHBondContact O-OH 3Å; N158-Y169 PolarHBondContact ND2-OH 2.73Å; Y169-L181 PolarHBondContact O-N 3.1Å; Y169-T183 HydrophobicContact CE2-CG2 4.45Å; Y169-L188 HydrophobicContact CD1-CD1 4.5Å; Y169-L188 HydrophobicContact CD1-CD2 3.45Å; Y169-L188 VanDerWaalsContact CD1-CD2 3.45Å; Y169-L188 HydrophobicContact CD2-CD1 3.69Å; Y169-L188 HydrophobicContact CD2-CD2 4.12Å; Y169-L188 HydrophobicContact CE1-CD2 3.96Å; Y169-L188 HydrophobicContact CE2-CD1 4.39Å; Y169-L188 HydrophobicContact CG-CD1 3.76Å; Y169-L188 HydrophobicContact CG-CD2 3.54Å; Y169-L188 HydrophobicContact CG-CG 4.29Å; Y169-I355 HydrophobicContact CD1-CG2 4.22Å; Y169-I357 HydrophobicContact CD1-CG1 4.03Å; Y169-I357 HydrophobicContact CD1-CG2 4.15Å; Y169-I357 HydrophobicContact CE1-CD1 4.15Å; Y169-I357 HydrophobicContact CE1-CG1 4.13Å; Y169-I357 HydrophobicContact CE1-CG2 3.97Å |
| 170 | R | 78.4 | Confident | 62.8 | Low | 78 Ų | 78 | 91.3 Ų | 91.3 | 29% | 0.294 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 111 | -176.4 | -169 | -172.2 | -140.7 | 123.1 | 2 | 109.9 | S178 K179 L180 S356 E358 | R170-S178 PolarHBondContact NE-OG 3.24Å; R170-K179 CarbonylContact C-O 3.58Å; R170-K179 WeakPolarHBondContact CA-O 3.42Å; R170-L180 HydrophobicContact CB-CD1 4.4Å; R170-L180 HydrophobicContact CG-CD1 4.46Å; R170-S356 PolarHBondContact N-O 3.48Å; R170-S356 PolarHBondContact O-N 3.32Å; R170-E358 WeakPolarHBondContact CD-OE1 3.34Å; R170-E358 IonicContact CZ-OE1 3.33Å; R170-E358 IonicContact NE-OE1 2.04Å; R170-E358 IonicContact NH1-OE1 3.91Å; R170-E358 PolarHBondContact NH1-OE1 2.91Å; R170-E358 IonicContact NH1-OE2 3.86Å; R170-E358 PolarHBondContact NH1-OE2 2.76Å |
| 171 | L | 78 | Confident | 63.9 | Low | 13 Ų | 13 | 84.5 Ų | 84.5 | 7% | 0.068 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.8 | 171.3 | -168.7 | 71.7 | 0 | 0 | 0 | 108.6 | Y173 S178 K179 L181 E187 P353 Y354 I355 | L171-Y173 HydrophobicContact CD2-CE1 3.85Å; L171-Y173 HydrophobicContact CD2-CE2 3.81Å; L171-Y173 VanDerWaalsContact CD2-CZ 3.43Å; L171-Y173 WeakPolarHBondContact CD2-OH 3.27Å; L171-Y173 HydrophobicContact CG-CE2 4.32Å; L171-S178 CarbonylContact O-C 3.52Å; L171-S178 WeakPolarHBondContact O-CA 3.31Å; L171-S178 WeakPolarHBondContact O-CB 3.47Å; L171-K179 PolarHBondContact N-O 3.09Å; L171-K179 PolarHBondContact O-N 2.91Å; L171-L181 HydrophobicContact CB-CD1 4.09Å; L171-L181 HydrophobicContact CB-CD2 4Å; L171-L181 HydrophobicContact CB-CG 4.11Å; L171-E187 WeakPolarHBondContact CD2-OE2 3.39Å; L171-P353 HydrophobicContact CD1-CB 4.13Å; L171-P353 HydrophobicContact CD2-CB 4.37Å; L171-P353 HydrophobicContact CG-CB 4.19Å; L171-Y354 WeakPolarHBondContact CA-O 3.47Å; L171-I355 HydrophobicContact CD1-CG1 3.58Å |
| 172 | Q | 69.3 | Low | 65.2 | Low | 46 Ų | 46 | 79 Ų | 79 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.7 | 175 | -60.3 | -172.1 | -0 | 0 | 0 | 108.2 | P353 Y354 | Q172-P353 VanDerWaalsContact O-CA 3.23Å; Q172-P353 WeakPolarHBondContact O-CA 3.01Å; Q172-Y354 HydrophobicContact CB-CD2 4.36Å; Q172-Y354 HydrophobicContact CB-CE1 4.44Å; Q172-Y354 HydrophobicContact CB-CE2 3.89Å; Q172-Y354 HydrophobicContact CG-CE2 4.15Å; Q172-Y354 PolarHBondContact N-O 2.03Å; Q172-Y354 PolarHBondContact O-N 2.96Å; Q172-Y354 VanDerWaalsContact O-N 3.12Å; Q172-Y354 VanDerWaalsContact OE1-CE2 3.28Å; Q172-Y354 VanDerWaalsContact OE1-CZ 3.26Å; Q172-Y354 PolarHBondContact OE1-OH 3.05Å |
| 173 | Y | 65.1 | Low | 66.2 | Low | 111 Ų | 111 | 76.1 Ų | 76.1 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -91.1 | -35.8 | 175 | -62.2 | -92.5 | 0 | 0 | 0 | 110.8 | L171 T177 K179 P353 | L171-Y173 HydrophobicContact CD2-CE1 3.85Å; L171-Y173 HydrophobicContact CD2-CE2 3.81Å; L171-Y173 VanDerWaalsContact CD2-CZ 3.43Å; L171-Y173 WeakPolarHBondContact CD2-OH 3.27Å; L171-Y173 HydrophobicContact CG-CE2 4.32Å; Y173-T177 PolarHBondContact N-O 3.28Å; Y173-K179 HydrophobicContact CE2-CB 4.08Å; Y173-P353 HydrophobicContact CD1-CB 3.64Å; Y173-P353 HydrophobicContact CD1-CG 4.19Å; Y173-P353 HydrophobicContact CE1-CB 4.12Å; Y173-P353 HydrophobicContact CE1-CG 4.41Å; Y173-P353 HydrophobicContact CG-CB 4.2Å |
| 174 | N | 62.1 | Low | 67.4 | Low | 74 Ų | 74 | 72.9 Ų | 72.9 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -156.3 | -175.7 | 164.5 | 66.8 | 49.6 | 0 | 0 | 0 | 110.2 | T176 T177 | N174-T176 PolarHBondContact O-N 2.86Å; N174-T176 VanDerWaalsContact O-N 3.11Å; N174-T176 WeakPolarHBondContact OD1-CA 3.35Å; N174-T176 PolarHBondContact OD1-N 2.94Å; N174-T176 PolarHBondContact OD1-OG1 3.34Å; N174-T177 PolarHBondContact N-O 3.29Å; N174-T177 PolarHBondContact N-OG1 3.3Å; N174-T177 PolarHBondContact ND2-OG1 3.14Å; N174-T177 PolarHBondContact O-N 3.03Å; N174-T177 PolarHBondContact OD1-N 3.3Å; N174-T177 PolarHBondContact OD1-OG1 2.69Å |
| 175 | E | 57.4 | Low | 68.6 | Low | 158 Ų | 158 | 71.8 Ų | 71.8 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -60.4 | -17.7 | -177.8 | -69.8 | 159.1 | -137.7 | 0 | 0 | 114.7 | R351 | E175-R351 IonicContact OE1-CZ 2.75Å; E175-R351 IonicContact OE1-NH1 2.73Å; E175-R351 PolarHBondContact OE1-NH1 3.07Å; E175-R351 IonicContact OE1-NH2 3.92Å |
| 176 | T | 62.6 | Low | 69.4 | Low | 128 Ų | 128 | 73.2 Ų | 73.2 | 79% | 0.785 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -111.1 | -22.5 | 177.4 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | N174 | N174-T176 PolarHBondContact O-N 2.86Å; N174-T176 VanDerWaalsContact O-N 3.11Å; N174-T176 WeakPolarHBondContact OD1-CA 3.35Å; N174-T176 PolarHBondContact OD1-N 2.94Å; N174-T176 PolarHBondContact OD1-OG1 3.34Å |
| 177 | T | 67.8 | Low | 69.8 | Low | 64 Ų | 64 | 70.9 Ų | 70.9 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | trans | -112.4 | 111 | -177.9 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | Y173 N174 | Y173-T177 PolarHBondContact N-O 3.28Å; N174-T177 PolarHBondContact N-O 3.29Å; N174-T177 PolarHBondContact N-OG1 3.3Å; N174-T177 PolarHBondContact ND2-OG1 3.14Å; N174-T177 PolarHBondContact O-N 3.03Å; N174-T177 PolarHBondContact OD1-N 3.3Å; N174-T177 PolarHBondContact OD1-OG1 2.69Å | ||
| 178 | S | 70.5 | Confident | 69.9 | Low | 59 Ų | 59 | 69.9 Ų | 69.9 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.3 | 172.1 | 68.1 | 0 | 0 | 0 | 0 | 112.1 | R170 L171 | R170-S178 PolarHBondContact NE-OG 3.24Å; L171-S178 CarbonylContact O-C 3.52Å; L171-S178 WeakPolarHBondContact O-CA 3.31Å; L171-S178 WeakPolarHBondContact O-CB 3.47Å |
| 179 | K | 79.3 | Confident | 69.5 | Low | 63 Ų | 63 | 66.7 Ų | 66.7 | 27% | 0.274 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.3 | 174.3 | 177.7 | -166.8 | 166.2 | -152.1 | 0 | 107.7 | R170 L171 Y173 L181 D185 E187 | R170-K179 CarbonylContact C-O 3.58Å; R170-K179 WeakPolarHBondContact CA-O 3.42Å; L171-K179 PolarHBondContact N-O 3.09Å; L171-K179 PolarHBondContact O-N 2.91Å; Y173-K179 HydrophobicContact CE2-CB 4.08Å; K179-L181 HydrophobicContact CB-CD2 4.42Å; K179-L181 HydrophobicContact CD-CD2 3.6Å; K179-L181 HydrophobicContact CG-CD2 3.87Å; K179-L181 PolarHBondContact O-N 3.4Å; K179-D185 WeakPolarHBondContact CE-OD1 3.25Å; K179-D185 IonicContact NZ-OD1 2.92Å; K179-D185 PolarHBondContact NZ-OD1 3.16Å; K179-E187 IonicContact NZ-OE1 3.72Å; K179-E187 PolarHBondContact NZ-OE1 2.87Å; K179-E187 IonicContact NZ-OE2 3.25Å; K179-E187 PolarHBondContact NZ-OE2 3.04Å |
| 180 | L | 74 | Confident | 69.1 | Low | 99 Ų | 99 | 72.5 Ų | 72.5 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126.4 | 170.1 | -159.1 | 77.8 | 0 | 0 | 0 | 108 | R170 | R170-L180 HydrophobicContact CB-CD1 4.4Å; R170-L180 HydrophobicContact CG-CD1 4.46Å |
| 181 | L | 71.5 | Confident | 69.2 | Low | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.1 | -179.5 | -55.6 | -169.4 | 0 | 0 | 0 | 110.3 | Y169 L171 K179 D185 E187 L188 I355 | Y169-L181 PolarHBondContact O-N 3.1Å; L171-L181 HydrophobicContact CB-CD1 4.09Å; L171-L181 HydrophobicContact CB-CD2 4Å; L171-L181 HydrophobicContact CB-CG 4.11Å; K179-L181 HydrophobicContact CB-CD2 4.42Å; K179-L181 HydrophobicContact CD-CD2 3.6Å; K179-L181 HydrophobicContact CG-CD2 3.87Å; K179-L181 PolarHBondContact O-N 3.4Å; L181-D185 HydrophobicContact CB-CB 4.2Å; L181-D185 HydrophobicContact CD2-CB 4.34Å; L181-E187 HydrophobicContact CD1-CB 4.01Å; L181-E187 WeakPolarHBondContact CD2-OE2 3.47Å; L181-L188 HydrophobicContact CB-CD1 3.89Å; L181-L188 HydrophobicContact CB-CG 4.49Å; L181-L188 HydrophobicContact CD1-CD1 4.24Å; L181-L188 HydrophobicContact CD1-CD2 4.47Å; L181-L188 HydrophobicContact CD1-CG 3.93Å; L181-I355 HydrophobicContact CD1-CD1 3.97Å; L181-I355 HydrophobicContact CD1-CG1 4.13Å |
| 182 | S | 67.4 | Low | 69.5 | Low | 57 Ų | 57 | 71 Ų | 71 | 40% | 0.399 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 156.2 | 165.6 | 177 | 0 | 0 | 0 | 0 | 109.8 | S184 D185 L188 | S182-S184 VanDerWaalsContact CB-OG 3.28Å; S182-S184 WeakPolarHBondContact CB-OG 3.32Å; S182-S184 PolarHBondContact O-N 3.34Å; S182-S184 PolarHBondContact OG-N 3.48Å; S182-S184 PolarHBondContact OG-OG 3.43Å; S182-D185 WeakPolarHBondContact CB-OD2 3.37Å; S182-D185 PolarHBondContact N-OD2 2.89Å; S182-D185 PolarHBondContact O-N 3.32Å; S182-L188 WeakPolarHBondContact O-CD1 3.34Å |
| 183 | T | 64.2 | Low | 70.2 | Confident | 92 Ų | 92 | 69 Ų | 69 | 56% | 0.564 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -0.9 | 166.9 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | R155 Y169 | R155-T183 PolarHBondContact NE-O 2.57Å; R155-T183 VanDerWaalsContact NE-O 3.07Å; R155-T183 PolarHBondContact NH2-O 3.06Å; Y169-T183 HydrophobicContact CE2-CG2 4.45Å |
| 184 | S | 66 | Low | 71.3 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 56% | 0.559 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -16.9 | 171.5 | 60.5 | 0 | 0 | 0 | 0 | 115.1 | S182 S186 | S182-S184 VanDerWaalsContact CB-OG 3.28Å; S182-S184 WeakPolarHBondContact CB-OG 3.32Å; S182-S184 PolarHBondContact O-N 3.34Å; S182-S184 PolarHBondContact OG-N 3.48Å; S182-S184 PolarHBondContact OG-OG 3.43Å; S184-S186 PolarHBondContact O-N 3.03Å |
| 185 | D | 70.9 | Confident | 72.7 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | trans | -63.6 | 130.8 | -177.1 | -83.8 | -83.6 | 0 | 0 | 0 | 112 | K179 L181 S182 E187 L188 | K179-D185 WeakPolarHBondContact CE-OD1 3.25Å; K179-D185 IonicContact NZ-OD1 2.92Å; K179-D185 PolarHBondContact NZ-OD1 3.16Å; L181-D185 HydrophobicContact CB-CB 4.2Å; L181-D185 HydrophobicContact CD2-CB 4.34Å; S182-D185 WeakPolarHBondContact CB-OD2 3.37Å; S182-D185 PolarHBondContact N-OD2 2.89Å; S182-D185 PolarHBondContact O-N 3.32Å; D185-E187 PolarHBondContact O-N 3.04Å; D185-L188 PolarHBondContact O-N 2.89Å; D185-L188 VanDerWaalsContact O-N 3.17Å | ||
| 186 | S | 70.5 | Confident | 74.1 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 62% | 0.622 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -65.2 | -23.2 | -179.9 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | S184 L188 D189 | S184-S186 PolarHBondContact O-N 3.03Å; S186-L188 PolarHBondContact O-N 3.44Å; S186-D189 WeakPolarHBondContact O-CB 3.36Å; S186-D189 PolarHBondContact O-N 3.07Å |
| 187 | E | 69.9 | Low | 74.9 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 35% | 0.346 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -56.2 | -28.4 | 173.3 | -68.7 | 157.2 | -154.5 | 0 | 0 | 112.4 | L171 K179 L181 D185 | L171-E187 WeakPolarHBondContact CD2-OE2 3.39Å; K179-E187 IonicContact NZ-OE1 3.72Å; K179-E187 PolarHBondContact NZ-OE1 2.87Å; K179-E187 IonicContact NZ-OE2 3.25Å; K179-E187 PolarHBondContact NZ-OE2 3.04Å; L181-E187 HydrophobicContact CD1-CB 4.01Å; L181-E187 WeakPolarHBondContact CD2-OE2 3.47Å; D185-E187 PolarHBondContact O-N 3.04Å |
| 188 | L | 69.3 | Low | 75.1 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -82.9 | -14.1 | 176.8 | -77.7 | 161.3 | 0 | 0 | 0 | 114.2 | Y169 L181 S182 D185 S186 N190 F191 I355 | Y169-L188 HydrophobicContact CD1-CD1 4.5Å; Y169-L188 HydrophobicContact CD1-CD2 3.45Å; Y169-L188 VanDerWaalsContact CD1-CD2 3.45Å; Y169-L188 HydrophobicContact CD2-CD1 3.69Å; Y169-L188 HydrophobicContact CD2-CD2 4.12Å; Y169-L188 HydrophobicContact CE1-CD2 3.96Å; Y169-L188 HydrophobicContact CE2-CD1 4.39Å; Y169-L188 HydrophobicContact CG-CD1 3.76Å; Y169-L188 HydrophobicContact CG-CD2 3.54Å; Y169-L188 HydrophobicContact CG-CG 4.29Å; L181-L188 HydrophobicContact CB-CD1 3.89Å; L181-L188 HydrophobicContact CB-CG 4.49Å; L181-L188 HydrophobicContact CD1-CD1 4.24Å; L181-L188 HydrophobicContact CD1-CD2 4.47Å; L181-L188 HydrophobicContact CD1-CG 3.93Å; S182-L188 WeakPolarHBondContact O-CD1 3.34Å; D185-L188 PolarHBondContact O-N 2.89Å; D185-L188 VanDerWaalsContact O-N 3.17Å; S186-L188 PolarHBondContact O-N 3.44Å; L188-N190 PolarHBondContact O-N 3.4Å; L188-N190 VanDerWaalsContact O-N 3.13Å; L188-F191 HydrophobicContact CD2-CB 4.41Å; L188-F191 HydrophobicContact CD2-CD1 4.23Å; L188-F191 PolarHBondContact O-N 3.24Å; L188-F191 VanDerWaalsContact O-N 3.14Å; L188-I355 HydrophobicContact CD2-CD1 3.96Å; L188-I355 HydrophobicContact CD2-CG2 4.16Å; L188-I355 HydrophobicContact CG-CD1 4.37Å |
| 189 | D | 69 | Low | 75.2 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.6 | -167.6 | -83.9 | -38.7 | 0 | 0 | 0 | 114 | K153 R155 S186 | K153-D189 WeakPolarHBondContact CD-O 3.48Å; K153-D189 WeakPolarHBondContact CE-O 3.4Å; K153-D189 PolarHBondContact NZ-O 3.24Å; R155-D189 WeakPolarHBondContact CD-OD1 3.46Å; R155-D189 IonicContact CZ-OD1 2.85Å; R155-D189 IonicContact NE-OD1 3.11Å; R155-D189 IonicContact NH1-OD1 3.84Å; R155-D189 PolarHBondContact NH1-OD1 3.38Å; R155-D189 IonicContact NH1-OD2 3.7Å; R155-D189 PolarHBondContact NH1-OD2 3.24Å; S186-D189 WeakPolarHBondContact O-CB 3.36Å; S186-D189 PolarHBondContact O-N 3.07Å |
| 190 | N | 68.3 | Low | 74.9 | Confident | 125 Ų | 125 | 46.3 Ų | 46.3 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 6.7 | 175.3 | -70.4 | -40.7 | 0 | 0 | 0 | 113.7 | K153 L188 R192 | K153-N190 WeakPolarHBondContact CE-OD1 3.47Å; K153-N190 PolarHBondContact NZ-OD1 3.14Å; L188-N190 PolarHBondContact O-N 3.4Å; L188-N190 VanDerWaalsContact O-N 3.13Å; N190-R192 PolarHBondContact O-N 3.22Å |
| 191 | F | 80.6 | Confident | 75.3 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 10% | 0.101 | 27% | 0.268 | C | S | . | . | trans | -74.8 | 112.4 | -175 | -171.1 | -123.8 | 0 | 0 | 0 | 112.5 | K153 W154 L188 A193 R195 I355 I357 | K153-F191 WeakPolarHBondContact CA-O 3.42Å; W154-F191 AromaticContact CD1-CD1 3.9Å; W154-F191 AromaticContact CD1-CE1 3.99Å; W154-F191 HydrophobicContact CG-CD1 4.43Å; W154-F191 PolarHBondContact N-O 1.72Å; W154-F191 VanDerWaalsContact N-O 3.11Å; L188-F191 HydrophobicContact CD2-CB 4.41Å; L188-F191 HydrophobicContact CD2-CD1 4.23Å; L188-F191 PolarHBondContact O-N 3.24Å; L188-F191 VanDerWaalsContact O-N 3.14Å; F191-A193 HydrophobicContact CE2-CB 3.88Å; F191-A193 HydrophobicContact CZ-CB 4.41Å; F191-R195 HydrophobicContact CZ-CG 4.12Å; F191-I355 HydrophobicContact CB-CD1 4.02Å; F191-I355 HydrophobicContact CD1-CB 4.06Å; F191-I355 HydrophobicContact CD1-CD1 4.18Å; F191-I355 HydrophobicContact CD1-CG2 3.81Å; F191-I355 HydrophobicContact CD2-CB 4.19Å; F191-I355 HydrophobicContact CD2-CD1 4.08Å; F191-I355 HydrophobicContact CE1-CB 3.76Å; F191-I355 HydrophobicContact CE1-CG2 3.54Å; F191-I355 HydrophobicContact CE2-CB 3.92Å; F191-I355 HydrophobicContact CG-CB 4.27Å; F191-I355 HydrophobicContact CG-CD1 3.84Å; F191-I355 HydrophobicContact CG-CG2 4.45Å; F191-I355 HydrophobicContact CZ-CB 3.71Å; F191-I355 HydrophobicContact CZ-CG2 4Å; F191-I355 WeakPolarHBondContact CZ-O 3.37Å; F191-I357 HydrophobicContact CE1-CD1 3.9Å; F191-I357 HydrophobicContact CE1-CG1 4.05Å | ||
| 192 | R | 83 | Confident | 75.9 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | trans | -124.8 | -12.2 | -176.6 | -70.7 | 179 | 165.3 | -167.1 | -1 | 114.4 | S104 S105 D143 C151 K153 N190 | S104-R192 PolarHBondContact OG-NH1 3.31Å; S105-R192 PolarHBondContact OG-NH1 3.15Å; D143-R192 HydrophobicContact CB-CB 3.88Å; C151-R192 HydrophobicContact CB-CB 4.38Å; C151-R192 VanDerWaalsContact CB-O 3.24Å; C151-R192 WeakPolarHBondContact CB-O 3.5Å; C151-R192 VanDerWaalsContact O-CD 3.23Å; C151-R192 WeakPolarHBondContact O-CD 3.45Å; C151-R192 PolarHBondContact O-NE 3.09Å; K153-R192 HydrophobicContact CG-CG 3.85Å; N190-R192 PolarHBondContact O-N 3.22Å | ||
| 193 | A | 84.6 | Confident | 76.7 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | trans | -62.9 | 146.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q142 W154 F191 | Q142-A193 CarbonylContact O-C 3.54Å; Q142-A193 WeakPolarHBondContact O-CA 3.32Å; W154-A193 PolarHBondContact NE1-O 2.69Å; F191-A193 HydrophobicContact CE2-CB 3.88Å; F191-A193 HydrophobicContact CZ-CB 4.41Å | ||
| 194 | C | 88.6 | Confident | 78 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -66.5 | 140.6 | -178.9 | -56 | 0 | 0 | 0 | 0 | 111.2 | Y138 Q142 C151 P204 W205 C221 I223 | Y138-C194 VanDerWaalsContact CD1-O 3.3Å; Y138-C194 WeakPolarHBondContact CD1-O 3.06Å; Y138-C194 WeakPolarHBondContact CE1-O 3.36Å; Q142-C194 PolarHBondContact O-N 3.49Å; Q142-C194 PolarHBondContact O-SG 3.28Å; Q142-C194 VanDerWaalsContact O-SG 3.34Å; C151-C194 VanDerWaalsContact SG-SG 3.62Å; C194-P204 HydrophobicContact CB-CB 4.25Å; C194-W205 WeakPolarHBondContact CA-O 3.33Å; C194-C221 HydrophobicContact CB-CB 3.69Å; C194-C221 WeakPolarHBondContact CB-SG 3.31Å; C194-C221 WeakPolarHBondContact SG-CB 3.16Å; C194-C221 CovalentContact SG-SG 2.02Å; C194-C221 PolarHBondContact SG-SG 3.25Å; C194-I223 HydrophobicContact CB-CD1 4.27Å | ||
| 195 | R | 90.3 | Very high | 79.2 | Confident | 11 Ų | 11 | 36 Ų | 36 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -145.1 | 166.4 | -179 | -67.8 | -66.7 | 179.5 | -98.7 | 11.8 | 109.4 | Y138 N139 G140 W154 F191 P197 W205 I355 I357 | Y138-R195 VanDerWaalsContact O-CD 3.25Å; Y138-R195 WeakPolarHBondContact O-CD 3.48Å; N139-R195 PolarHBondContact O-NH2 2.77Å; G140-R195 PolarHBondContact O-NH1 3.27Å; G140-R195 PolarHBondContact O-NH2 3.13Å; W154-R195 HydrophobicContact CZ2-CB 4Å; F191-R195 HydrophobicContact CZ-CG 4.12Å; R195-P197 HydrophobicContact CB-CG 4.38Å; R195-W205 PolarHBondContact N-O 2.87Å; R195-W205 VanDerWaalsContact N-O 3.1Å; R195-W205 VanDerWaalsContact O-CD1 3.24Å; R195-W205 PolarHBondContact O-N 3.39Å; R195-W205 PolarHBondContact O-NE1 2.83Å; R195-I355 PolarHBondContact NE-O 3.33Å; R195-I357 HydrophobicContact CB-CD1 3.9Å; R195-I357 HydrophobicContact CB-CG1 4.37Å; R195-I357 HydrophobicContact CG-CD1 3.84Å; R195-I357 HydrophobicContact CG-CG1 4.12Å |
| 196 | N | 87.6 | Confident | 80.1 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | trans | -124.9 | 78.7 | 170.2 | -171.9 | 3.9 | 0 | 0 | 0 | 110.1 | N134 G135 G198 G199 V200 K201 | N134-N196 PolarHBondContact O-ND2 2.85Å; G135-N196 WeakPolarHBondContact O-CB 3.37Å; N196-G198 PolarHBondContact O-N 2.91Å; N196-G199 PolarHBondContact O-N 3.35Å; N196-V200 PolarHBondContact OD1-N 3.41Å; N196-K201 PolarHBondContact ND2-O 3.38Å; N196-K201 PolarHBondContact OD1-N 2.83Å; N196-K201 VanDerWaalsContact OD1-N 3.13Å | ||
| 197 | P | 78.7 | Confident | 80.7 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 102.6 | -163.7 | -22.3 | 34.9 | 0 | 0 | 0 | 113.2 | W154 Y167 R195 V200 W205 I357 | W154-P197 HydrophobicContact CH2-CG 3.82Å; W154-P197 HydrophobicContact CZ3-CG 4.04Å; Y167-P197 HydrophobicContact CD1-CB 3.91Å; Y167-P197 HydrophobicContact CD1-CG 4.41Å; Y167-P197 HydrophobicContact CE1-CB 3.72Å; Y167-P197 HydrophobicContact CE1-CG 4.08Å; R195-P197 HydrophobicContact CB-CG 4.38Å; P197-V200 WeakPolarHBondContact O-CG2 3.46Å; P197-W205 HydrophobicContact CG-CZ2 4.2Å; P197-I357 WeakPolarHBondContact CA-O 3.12Å; P197-I357 HydrophobicContact CB-CB 3.89Å; P197-I357 HydrophobicContact CB-CG2 3.82Å; P197-I357 WeakPolarHBondContact CB-O 3.46Å; P197-I357 HydrophobicContact CG-CB 3.87Å; P197-I357 HydrophobicContact CG-CD1 4.22Å; P197-I357 HydrophobicContact CG-CG2 3.88Å |
| 198 | G | 72.3 | Confident | 81.1 | Confident | 64 Ų | 64 | 29.5 Ų | 29.5 | 66% | 0.66 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 22.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N196 V200 | N196-G198 PolarHBondContact O-N 2.91Å; G198-V200 VanDerWaalsContact C-N 3.27Å; G198-V200 PolarHBondContact O-N 2.65Å |
| 199 | G | 74.2 | Confident | 81.4 | Confident | 21 Ų | 21 | 32 Ų | 32 | 22% | 0.216 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 70.6 | 10.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | N134 N196 K201 | N134-G199 PolarHBondContact ND2-O 2.97Å; N196-G199 PolarHBondContact O-N 3.35Å; G199-K201 PolarHBondContact O-N 3.32Å |
| 200 | V | 72.9 | Confident | 80.9 | Confident | 78 Ų | 78 | 35.2 Ų | 35.2 | 47% | 0.473 | 20% | 0.198 | S | C | . | . | trans | -72.5 | 9.7 | -171.5 | -137.9 | 0 | 0 | 0 | 0 | 115 | N196 P197 G198 K359 | N196-V200 PolarHBondContact OD1-N 3.41Å; P197-V200 WeakPolarHBondContact O-CG2 3.46Å; G198-V200 VanDerWaalsContact C-N 3.27Å; G198-V200 PolarHBondContact O-N 2.65Å; V200-K359 HydrophobicContact CG2-CD 3.91Å | ||
| 201 | K | 82.5 | Confident | 80.3 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 17% | 0.17 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -135.8 | 162.9 | 177.3 | -66.1 | -63.5 | -176.3 | 177.3 | 0 | 110.7 | N134 N196 G199 W205 E2014 | N134-K201 PolarHBondContact ND2-O 2.88Å; N196-K201 PolarHBondContact ND2-O 3.38Å; N196-K201 PolarHBondContact OD1-N 2.83Å; N196-K201 VanDerWaalsContact OD1-N 3.13Å; G199-K201 PolarHBondContact O-N 3.32Å; K201-W205 VanDerWaalsContact CG-CD1 3.48Å; K201-W205 HydrophobicContact CG-CG 4.28Å; K201-W205 VanDerWaalsContact CG-NE1 3.33Å; K201-E2014 IonicContact NZ-OE1 2.71Å; K201-E2014 PolarHBondContact NZ-OE1 2.86Å; K201-E2014 IonicContact NZ-OE2 3.13Å; K201-E2014 PolarHBondContact NZ-OE2 3.15Å |
| 202 | S | 82.6 | Confident | 78.8 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -67.6 | -30.9 | 178 | 46.1 | 0 | 0 | 0 | 0 | 114.6 | N134 | N134-S202 WeakPolarHBondContact CA-O 3.39Å; N134-S202 WeakPolarHBondContact CB-O 3.37Å |
| 203 | Q | 84.6 | Confident | 77.2 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -154.9 | 165.6 | 175.4 | 68.1 | -175.6 | 75.4 | 0 | 0 | 111.3 | Y131 N134 H220 C221 | Y131-Q203 HydrophobicContact CE2-CB 4.05Å; Y131-Q203 WeakPolarHBondContact OH-CB 3.4Å; N134-Q203 WeakPolarHBondContact O-CA 3.32Å; Q203-H220 HydrophobicContact CG-CB 3.94Å; Q203-H220 VanDerWaalsContact CG-ND1 3.31Å; Q203-H220 WeakPolarHBondContact CG-ND1 3.45Å; Q203-H220 PolarHBondContact O-ND1 3.42Å; Q203-C221 PolarHBondContact NE2-O 3.42Å |
| 204 | P | 91.3 | Very high | 75.3 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -56.2 | 146.6 | 179.2 | -23.8 | 33.9 | 0 | 0 | 0 | 113.7 | Y131 Y138 C194 C221 I223 | Y131-P204 HydrophobicContact CG-CG 4.43Å; Y138-P204 HydrophobicContact CD1-CB 4.14Å; Y138-P204 HydrophobicContact CD1-CG 4.1Å; Y138-P204 HydrophobicContact CG-CG 4.02Å; C194-P204 HydrophobicContact CB-CB 4.25Å; P204-C221 PolarHBondContact O-N 3.29Å; P204-C221 VanDerWaalsContact O-N 3.11Å; P204-I223 HydrophobicContact CB-CD1 3.83Å; P204-I223 HydrophobicContact CG-CD1 4.11Å | ||
| 205 | W | 91.7 | Very high | 73.6 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 169.3 | -168.9 | 60.5 | -89.3 | 0 | 0 | 0 | 112.2 | W154 C194 R195 P197 K201 Y207 I218 Q219 | W154-W205 HydrophobicContact CH2-CD2 4.12Å; W154-W205 AromaticContact CH2-CE3 3.77Å; W154-W205 HydrophobicContact CH2-CE3 3.77Å; W154-W205 AromaticContact CH2-CH2 3.56Å; W154-W205 HydrophobicContact CH2-CH2 3.56Å; W154-W205 AromaticContact CH2-CZ2 3.89Å; W154-W205 HydrophobicContact CH2-CZ2 3.89Å; W154-W205 AromaticContact CH2-CZ3 3.48Å; W154-W205 HydrophobicContact CH2-CZ3 3.48Å; W154-W205 VanDerWaalsContact CH2-CZ3 3.48Å; W154-W205 HydrophobicContact CZ2-CE3 4.48Å; W154-W205 HydrophobicContact CZ2-CZ3 4.48Å; W154-W205 WeakPolarHBondContact CZ2-O 3.35Å; W154-W205 HydrophobicContact CZ3-CE3 4.45Å; W154-W205 AromaticContact CZ3-CH2 3.58Å; W154-W205 HydrophobicContact CZ3-CH2 3.58Å; W154-W205 HydrophobicContact CZ3-CZ2 4.22Å; W154-W205 AromaticContact CZ3-CZ3 3.71Å; W154-W205 HydrophobicContact CZ3-CZ3 3.71Å; C194-W205 WeakPolarHBondContact CA-O 3.33Å; R195-W205 PolarHBondContact N-O 2.87Å; R195-W205 VanDerWaalsContact N-O 3.1Å; R195-W205 VanDerWaalsContact O-CD1 3.24Å; R195-W205 PolarHBondContact O-N 3.39Å; R195-W205 PolarHBondContact O-NE1 2.83Å; P197-W205 HydrophobicContact CG-CZ2 4.2Å; K201-W205 VanDerWaalsContact CG-CD1 3.48Å; K201-W205 HydrophobicContact CG-CG 4.28Å; K201-W205 VanDerWaalsContact CG-NE1 3.33Å; W205-Y207 HydrophobicContact CH2-CE2 4.28Å; W205-Y207 HydrophobicContact CZ3-CD2 4.21Å; W205-Y207 AromaticContact CZ3-CE2 3.7Å; W205-Y207 HydrophobicContact CZ3-CE2 3.7Å; W205-Y207 AromaticContact CZ3-CZ 3.85Å; W205-I218 HydrophobicContact CB-CG2 3.89Å; W205-I218 HydrophobicContact CD2-CG2 3.71Å; W205-I218 HydrophobicContact CE3-CB 4.2Å; W205-I218 HydrophobicContact CE3-CD1 3.97Å; W205-I218 HydrophobicContact CE3-CG1 3.84Å; W205-I218 HydrophobicContact CE3-CG2 3.41Å; W205-I218 VanDerWaalsContact CE3-CG2 3.41Å; W205-I218 HydrophobicContact CG-CG2 3.96Å; W205-I218 HydrophobicContact CH2-CD1 3.75Å; W205-I218 HydrophobicContact CH2-CG1 4.35Å; W205-I218 HydrophobicContact CZ2-CD1 4.34Å; W205-I218 HydrophobicContact CZ3-CB 4.49Å; W205-I218 HydrophobicContact CZ3-CD1 3.55Å; W205-I218 HydrophobicContact CZ3-CG1 3.64Å; W205-I218 HydrophobicContact CZ3-CG2 4.13Å; W205-Q219 WeakPolarHBondContact CA-O 2.92Å; W205-Q219 VanDerWaalsContact CB-O 3.3Å; W205-Q219 WeakPolarHBondContact CB-O 3.31Å |
| 206 | C | 89.7 | Confident | 72 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | -177.3 | 170.1 | 79.2 | 0 | 0 | 0 | 0 | 111.3 | C151 Q219 | C151-C206 HydrophobicContact CB-CB 3.67Å; C151-C206 WeakPolarHBondContact CB-SG 3.49Å; C151-C206 WeakPolarHBondContact SG-CB 3.32Å; C151-C206 CovalentContact SG-SG 2.03Å; C151-C206 PolarHBondContact SG-SG 3.06Å; C206-Q219 PolarHBondContact N-O 2.8Å; C206-Q219 PolarHBondContact O-N 3.44Å |
| 207 | Y | 82.7 | Confident | 71.2 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 21% | 0.212 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 127.9 | 163.8 | -60.9 | -83.7 | 0 | 0 | 0 | 108.6 | C151 A152 W154 S157 W205 I218 | C151-Y207 CarbonylContact C-O 3.58Å; A152-Y207 WeakPolarHBondContact CB-O 3.36Å; A152-Y207 PolarHBondContact N-O 2.8Å; W154-Y207 HydrophobicContact CE3-CE2 4.49Å; W154-Y207 HydrophobicContact CZ3-CE2 4.35Å; S157-Y207 WeakPolarHBondContact OG-CD2 3.39Å; W205-Y207 HydrophobicContact CH2-CE2 4.28Å; W205-Y207 HydrophobicContact CZ3-CD2 4.21Å; W205-Y207 AromaticContact CZ3-CE2 3.7Å; W205-Y207 HydrophobicContact CZ3-CE2 3.7Å; W205-Y207 AromaticContact CZ3-CZ 3.85Å; Y207-I218 HydrophobicContact CD1-CG1 3.91Å; Y207-I218 HydrophobicContact CE1-CD1 4.16Å; Y207-I218 HydrophobicContact CE1-CG1 3.45Å; Y207-I218 VanDerWaalsContact CE1-CG1 3.45Å |
| 208 | P | 78.6 | Confident | 71.3 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 152.4 | 175 | 29.5 | -33.5 | 0 | 0 | 0 | 111.5 | T145 Q149 K210 G217 Q219 | T145-P208 HydrophobicContact CG2-CB 4.31Å; Q149-P208 HydrophobicContact CB-CB 4.17Å; P208-K210 PolarHBondContact O-N 2.79Å; P208-G217 VanDerWaalsContact CD-O 3.26Å; P208-G217 WeakPolarHBondContact CD-O 3.49Å; P208-Q219 HydrophobicContact CG-CG 4.14Å |
| 209 | I | 75 | Confident | 71.8 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 133.8 | 169.8 | -65.8 | 172.5 | 0 | 0 | 0 | 108.9 | P150 A152 V211 | P150-I209 HydrophobicContact CB-CD1 4.07Å; P150-I209 HydrophobicContact CG-CD1 4.07Å; P150-I209 WeakPolarHBondContact O-CG1 3.33Å; P150-I209 PolarHBondContact O-N 2.61Å; A152-I209 HydrophobicContact CB-CG1 4.09Å; I209-V211 PolarHBondContact O-N 3.27Å |
| 210 | K | 58.9 | Low | 72.5 | Confident | 135 Ų | 135 | 57.8 Ų | 57.8 | 59% | 0.587 | 32% | 0.318 | S | S | * | . | trans | -63.4 | 92.2 | -179.8 | -90.1 | -166.2 | 171.5 | -168.6 | 0 | 112.4 | P208 S216 | P208-K210 PolarHBondContact O-N 2.79Å; K210-S216 WeakPolarHBondContact CE-OG 3.32Å | ||
| 211 | V | 56.2 | Low | 73.1 | Confident | 64 Ų | 64 | 54 Ų | 54 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | trans | -78.1 | 141.8 | 160.6 | -174.9 | 0 | 0 | 0 | 0 | 109 | I209 G213 V214 | I209-V211 PolarHBondContact O-N 3.27Å; V211-G213 PolarHBondContact O-N 2.78Å; V211-V214 HydrophobicContact CB-CG2 4.18Å; V211-V214 PolarHBondContact O-N 3.44Å | ||
| 212 | R | 48.7 | Very low | 72.9 | Confident | 261 Ų | 261 | 57 Ų | 57 | 99% | 0.985 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 100.1 | -172.2 | -161.6 | -176.7 | -160 | -176.1 | 6.4 | 110.8 | ||
| 213 | G | 48.6 | Very low | 72.7 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 86% | 0.856 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.1 | -14.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | V211 | V211-G213 PolarHBondContact O-N 2.78Š|
| 214 | V | 46.5 | Very low | 72 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -99.6 | 146.4 | -176.2 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | V211 S216 | V211-V214 HydrophobicContact CB-CG2 4.18Å; V211-V214 PolarHBondContact O-N 3.44Å; V214-S216 PolarHBondContact O-N 3.18Å |
| 215 | S | 51.9 | Low | 71 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | trans | -62 | 127.1 | 174.8 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | G217 | S215-G217 PolarHBondContact O-N 2.92Å; S215-G217 PolarHBondContact OG-N 2.93Å | ||
| 216 | S | 56.6 | Low | 69.9 | Low | 50 Ų | 50 | 59.4 Ų | 59.4 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | trans | -91.6 | 50.4 | 170.7 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | K210 V214 | K210-S216 WeakPolarHBondContact CE-OG 3.32Å; V214-S216 PolarHBondContact O-N 3.18Å | ||
| 217 | G | 71.8 | Confident | 68.7 | Low | 17 Ų | 17 | 63.3 Ų | 63.3 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -77 | -169.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | P208 S215 | P208-G217 VanDerWaalsContact CD-O 3.26Å; P208-G217 WeakPolarHBondContact CD-O 3.49Å; S215-G217 PolarHBondContact O-N 2.92Å; S215-G217 PolarHBondContact OG-N 2.93Å |
| 218 | I | 80.1 | Confident | 67.9 | Low | 64 Ų | 64 | 63.5 Ų | 63.5 | 33% | 0.328 | 36% | 0.355 | S | S | . | . | trans | -80 | 143 | 158.1 | -71.5 | 171.3 | 0 | 0 | 0 | 107.1 | W205 Y207 | W205-I218 HydrophobicContact CB-CG2 3.89Å; W205-I218 HydrophobicContact CD2-CG2 3.71Å; W205-I218 HydrophobicContact CE3-CB 4.2Å; W205-I218 HydrophobicContact CE3-CD1 3.97Å; W205-I218 HydrophobicContact CE3-CG1 3.84Å; W205-I218 HydrophobicContact CE3-CG2 3.41Å; W205-I218 VanDerWaalsContact CE3-CG2 3.41Å; W205-I218 HydrophobicContact CG-CG2 3.96Å; W205-I218 HydrophobicContact CH2-CD1 3.75Å; W205-I218 HydrophobicContact CH2-CG1 4.35Å; W205-I218 HydrophobicContact CZ2-CD1 4.34Å; W205-I218 HydrophobicContact CZ3-CB 4.49Å; W205-I218 HydrophobicContact CZ3-CD1 3.55Å; W205-I218 HydrophobicContact CZ3-CG1 3.64Å; W205-I218 HydrophobicContact CZ3-CG2 4.13Å; Y207-I218 HydrophobicContact CD1-CG1 3.91Å; Y207-I218 HydrophobicContact CE1-CD1 4.16Å; Y207-I218 HydrophobicContact CE1-CG1 3.45Å; Y207-I218 VanDerWaalsContact CE1-CG1 3.45Å | ||
| 219 | Q | 82.1 | Confident | 67 | Low | 38 Ų | 38 | 66.3 Ų | 66.3 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146 | 169.4 | -71.4 | -163.6 | -49.1 | 0 | 0 | 109.9 | T145 D147 W205 C206 P208 | T145-Q219 HydrophobicContact CG2-CB 3.57Å; T145-Q219 HydrophobicContact CG2-CG 4.44Å; T145-Q219 PolarHBondContact OG1-OE1 3.06Å; D147-Q219 PolarHBondContact OD2-NE2 3.1Å; W205-Q219 WeakPolarHBondContact CA-O 2.92Å; W205-Q219 VanDerWaalsContact CB-O 3.3Å; W205-Q219 WeakPolarHBondContact CB-O 3.31Å; C206-Q219 PolarHBondContact N-O 2.8Å; C206-Q219 PolarHBondContact O-N 3.44Å; P208-Q219 HydrophobicContact CG-CG 4.14Å |
| 220 | H | 89.6 | Confident | 66.5 | Low | 41 Ų | 41 | 64 Ų | 64 | 19% | 0.19 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 160.7 | 171.8 | -66.3 | -71.4 | 0 | 0 | 0 | 111 | T145 T146 Q203 | T145-H220 CarbonylContact C-O 3.59Å; T145-H220 VanDerWaalsContact CA-O 3.25Å; T145-H220 WeakPolarHBondContact CA-O 3.38Å; T145-H220 WeakPolarHBondContact CB-O 3.36Å; T146-H220 HydrophobicContact CG2-CB 4.45Å; T146-H220 PolarHBondContact N-O 2.92Å; Q203-H220 HydrophobicContact CG-CB 3.94Å; Q203-H220 VanDerWaalsContact CG-ND1 3.31Å; Q203-H220 WeakPolarHBondContact CG-ND1 3.45Å; Q203-H220 PolarHBondContact O-ND1 3.42Å |
| 221 | C | 85.7 | Confident | 66.8 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -109.4 | 147.7 | -178.5 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | Q142 Q144 C194 Q203 P204 I223 | Q142-C221 HydrophobicContact CG-CB 4.37Å; Q144-C221 VanDerWaalsContact O-CB 3.27Å; Q144-C221 WeakPolarHBondContact O-CB 3.17Å; Q144-C221 PolarHBondContact O-SG 3.46Å; C194-C221 HydrophobicContact CB-CB 3.69Å; C194-C221 WeakPolarHBondContact CB-SG 3.31Å; C194-C221 WeakPolarHBondContact SG-CB 3.16Å; C194-C221 CovalentContact SG-SG 2.02Å; C194-C221 PolarHBondContact SG-SG 3.25Å; Q203-C221 PolarHBondContact NE2-O 3.42Å; P204-C221 PolarHBondContact O-N 3.29Å; P204-C221 VanDerWaalsContact O-N 3.11Å; C221-I223 HydrophobicContact CB-CD1 4.07Å; C221-I223 HydrophobicContact CB-CG1 4.28Å; C221-I223 PolarHBondContact O-N 3.42Å |
| 222 | D | 77.2 | Confident | 67.5 | Low | 100 Ų | 100 | 57.6 Ų | 57.6 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | trans | -76.7 | 105.4 | 170.6 | -177.3 | 38 | 0 | 0 | 0 | 110 | Q142 | Q142-D222 PolarHBondContact NE2-O 2.96Š| ||
| 223 | I | 80.1 | Confident | 68.9 | Low | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | trans | -145.1 | 124.7 | 177.5 | -56.5 | 162.4 | 0 | 0 | 0 | 105.1 | I128 Y131 Y138 Q142 C194 P204 C221 | I128-I223 HydrophobicContact CG2-CB 4.35Å; I128-I223 HydrophobicContact CG2-CG1 4.3Å; I128-I223 HydrophobicContact CG2-CG2 4.19Å; Y131-I223 HydrophobicContact CD1-CB 4.17Å; Y131-I223 HydrophobicContact CD1-CG2 3.91Å; Y131-I223 WeakPolarHBondContact CE1-O 3.5Å; Y138-I223 HydrophobicContact CD1-CD1 4.13Å; Y138-I223 HydrophobicContact CD2-CD1 4.49Å; Y138-I223 HydrophobicContact CD2-CG2 4.33Å; Y138-I223 HydrophobicContact CE1-CD1 3.63Å; Y138-I223 HydrophobicContact CE2-CD1 4.03Å; Y138-I223 HydrophobicContact CE2-CG2 3.78Å; Q142-I223 HydrophobicContact CB-CD1 4.33Å; Q142-I223 HydrophobicContact CB-CG1 3.99Å; Q142-I223 HydrophobicContact CG-CD1 4.42Å; Q142-I223 HydrophobicContact CG-CG1 3.86Å; C194-I223 HydrophobicContact CB-CD1 4.27Å; P204-I223 HydrophobicContact CB-CD1 3.83Å; P204-I223 HydrophobicContact CG-CD1 4.11Å; C221-I223 HydrophobicContact CB-CD1 4.07Å; C221-I223 HydrophobicContact CB-CG1 4.28Å; C221-I223 PolarHBondContact O-N 3.42Å | ||
| 224 | P | 68.8 | Low | 70.1 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | trans | -69.3 | 152 | 177.9 | 29.2 | -34.4 | 0 | 0 | 0 | 111 | C130 Y131 | C130-P224 VanDerWaalsContact CA-O 3.23Å; C130-P224 WeakPolarHBondContact CA-O 3.22Å; C130-P224 HydrophobicContact CB-CG 4.42Å; C130-P224 VanDerWaalsContact CB-O 3.32Å; C130-P224 WeakPolarHBondContact CB-O 3.4Å; Y131-P224 PolarHBondContact N-O 2.84Å; Y131-P224 VanDerWaalsContact N-O 3.13Å | ||
| 225 | K | 71.5 | Confident | 71 | Confident | 73 Ų | 73 | 41.1 Ų | 41.1 | 32% | 0.317 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -74.1 | 149.5 | 167 | -63.1 | 176.7 | 173.7 | -178.1 | 0 | 109 | Y131 S227 D228 | Y131-K225 HydrophobicContact CD1-CG 4.36Å; Y131-K225 HydrophobicContact CE1-CG 3.73Å; Y131-K225 HydrophobicContact CE2-CG 4.22Å; Y131-K225 WeakPolarHBondContact O-CA 3.42Å; Y131-K225 WeakPolarHBondContact OH-CE 3.44Å; K225-S227 VanDerWaalsContact CB-OG 3.28Å; K225-S227 WeakPolarHBondContact CB-OG 3.27Å; K225-S227 PolarHBondContact O-N 3.14Å; K225-S227 VanDerWaalsContact O-N 3.11Å; K225-D228 WeakPolarHBondContact CB-OD2 3.46Å; K225-D228 PolarHBondContact N-OD2 2.82Å; K225-D228 PolarHBondContact O-N 2.94Å |
| 226 | C | 66.9 | Low | 71.7 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.5 | 178 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | C130 Y131 E132 D228 G272 | C130-C226 HydrophobicContact CB-CB 3.97Å; C130-C226 WeakPolarHBondContact CB-SG 3.25Å; C130-C226 WeakPolarHBondContact SG-CA 3.38Å; C130-C226 WeakPolarHBondContact SG-CB 2.97Å; C130-C226 CovalentContact SG-SG 2.04Å; C130-C226 PolarHBondContact SG-SG 2.86Å; Y131-C226 PolarHBondContact O-N 3.22Å; E132-C226 HydrophobicContact CG-CB 3.95Å; C226-D228 VanDerWaalsContact C-N 3.35Å; C226-G272 WeakPolarHBondContact O-CA 3.37Å; C226-G272 PolarHBondContact O-N 3.07Å |
| 227 | S | 64.7 | Low | 71.7 | Confident | 82 Ų | 82 | 41.6 Ų | 41.6 | 57% | 0.573 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.9 | 172.1 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | K225 | K225-S227 VanDerWaalsContact CB-OG 3.28Å; K225-S227 WeakPolarHBondContact CB-OG 3.27Å; K225-S227 PolarHBondContact O-N 3.14Å; K225-S227 VanDerWaalsContact O-N 3.11Å |
| 228 | D | 66.2 | Low | 70.8 | Confident | 58 Ų | 58 | 46.6 Ų | 46.6 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -79.6 | 138.1 | -159.8 | -58.1 | -17.7 | 0 | 0 | 0 | 111.6 | K225 C226 G230 P270 H271 | K225-D228 WeakPolarHBondContact CB-OD2 3.46Å; K225-D228 PolarHBondContact N-OD2 2.82Å; K225-D228 PolarHBondContact O-N 2.94Å; C226-D228 VanDerWaalsContact C-N 3.35Å; D228-G230 PolarHBondContact O-N 3.26Å; D228-P270 CarbonylContact O-C 3.57Å; D228-P270 VanDerWaalsContact O-CA 3.28Å; D228-P270 WeakPolarHBondContact O-CA 3.45Å; D228-H271 PolarHBondContact O-N 2.96Å |
| 229 | P | 60 | Low | 69.4 | Low | 66 Ų | 66 | 51.1 Ų | 51.1 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 130.1 | -179.3 | 27.7 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 230 | G | 64.1 | Low | 68.1 | Low | 7 Ų | 7 | 53.3 Ų | 53.3 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -159.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D228 V268 A269 H271 | D228-G230 PolarHBondContact O-N 3.26Å; G230-V268 WeakPolarHBondContact O-CG1 3.43Å; G230-A269 VanDerWaalsContact CA-O 3.27Å; G230-A269 WeakPolarHBondContact CA-O 3.24Å; G230-A269 PolarHBondContact N-O 3.47Å; G230-H271 VanDerWaalsContact CA-CD2 3.47Å; G230-H271 WeakPolarHBondContact CA-CD2 3.32Å |
| 231 | T | 65.6 | Low | 66.7 | Low | 62 Ų | 62 | 53.9 Ų | 53.9 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 4.9 | -176.8 | 45.5 | 0 | 0 | 0 | 0 | 114 | V294 P301 | T231-V294 PolarHBondContact O-N 3.34Å; T231-P301 WeakPolarHBondContact OG1-CG 3.42Å |
| 232 | L | 70.9 | Confident | 65.8 | Low | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.3 | -179 | -75.4 | 173.1 | 0 | 0 | 0 | 111 | V268 A269 L291 L293 P301 F304 C339 | L232-V268 CarbonylContact O-C 3.49Å; L232-V268 WeakPolarHBondContact O-CA 3.44Å; L232-A269 PolarHBondContact O-N 3Å; L232-L291 HydrophobicContact CB-CB 3.88Å; L232-L291 HydrophobicContact CB-CD1 3.74Å; L232-L291 HydrophobicContact CB-CG 4.48Å; L232-L291 HydrophobicContact CD2-CB 4.18Å; L232-L291 HydrophobicContact CG-CB 4.5Å; L232-L293 HydrophobicContact CD2-CD1 4.13Å; L232-P301 HydrophobicContact CD1-CB 4.32Å; L232-P301 HydrophobicContact CD1-CG 3.84Å; L232-P301 HydrophobicContact CD2-CG 4.41Å; L232-P301 HydrophobicContact CG-CG 3.84Å; L232-F304 HydrophobicContact CD1-CD1 3.77Å; L232-F304 HydrophobicContact CD1-CD2 3.64Å; L232-F304 HydrophobicContact CD1-CE1 3.69Å; L232-F304 HydrophobicContact CD1-CE2 3.58Å; L232-F304 HydrophobicContact CD1-CG 3.74Å; L232-F304 HydrophobicContact CD1-CZ 3.61Å; L232-C339 HydrophobicContact CD2-CB 3.59Å |
| 233 | G | 77 | Confident | 65.3 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | -153.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C267 L291 F292 | G233-C267 CarbonylContact C-O 3.56Å; G233-C267 VanDerWaalsContact C-O 3.25Å; G233-C267 WeakPolarHBondContact CA-O 2.95Å; G233-L291 CarbonylContact O-C 3.44Å; G233-L291 VanDerWaalsContact O-CA 3.23Å; G233-L291 WeakPolarHBondContact O-CA 3.32Å; G233-L291 VanDerWaalsContact O-CB 3.29Å; G233-L291 WeakPolarHBondContact O-CB 3.45Å; G233-F292 PolarHBondContact N-O 3.45Å; G233-F292 PolarHBondContact O-N 3.17Å |
| 234 | Y | 75.3 | Confident | 64.6 | Low | 50 Ų | 50 | 64 Ų | 64 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.5 | 168.9 | 52.7 | -87.4 | 0 | 0 | 0 | 111.5 | L236 M244 F247 Y266 C267 L291 | Y234-L236 HydrophobicContact CE2-CD1 4.35Å; Y234-M244 VanDerWaalsContact OH-CB 3.23Å; Y234-M244 WeakPolarHBondContact OH-CB 3.5Å; Y234-M244 PolarHBondContact OH-N 3.33Å; Y234-F247 HydrophobicContact CD1-CD1 4.4Å; Y234-F247 HydrophobicContact CD1-CE1 4.2Å; Y234-F247 AromaticContact CE1-CD1 3.78Å; Y234-F247 HydrophobicContact CE1-CD1 3.78Å; Y234-F247 AromaticContact CE1-CE1 3.83Å; Y234-F247 HydrophobicContact CE1-CE1 3.83Å; Y234-F247 HydrophobicContact CE1-CG 4.16Å; Y234-F247 HydrophobicContact CE1-CZ 4.23Å; Y234-Y266 CarbonylContact O-C 3.59Å; Y234-Y266 VanDerWaalsContact O-CA 3.25Å; Y234-Y266 WeakPolarHBondContact O-CA 2.98Å; Y234-C267 HydrophobicContact CD1-CB 4.43Å; Y234-C267 HydrophobicContact CD2-CB 4.34Å; Y234-C267 HydrophobicContact CE1-CB 3.84Å; Y234-C267 HydrophobicContact CE2-CB 3.74Å; Y234-C267 VanDerWaalsContact CZ-CB 3.43Å; Y234-C267 PolarHBondContact N-O 3.45Å; Y234-C267 PolarHBondContact O-N 3.44Å; Y234-C267 WeakPolarHBondContact OH-CB 3.45Å; Y234-L291 HydrophobicContact CD1-CD2 3.82Å |
| 235 | P | 65.3 | Low | 64.2 | Low | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.032 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 140.5 | 174.6 | -15.9 | 26.8 | 0 | 0 | 0 | 112 | F237 V264 D265 Y266 F292 I336 | P235-F237 HydrophobicContact CB-CD1 4.28Å; P235-F237 HydrophobicContact CB-CD2 4.08Å; P235-F237 HydrophobicContact CB-CE1 4Å; P235-F237 HydrophobicContact CB-CE2 3.78Å; P235-F237 HydrophobicContact CB-CG 4.34Å; P235-F237 HydrophobicContact CB-CZ 3.75Å; P235-F237 HydrophobicContact CG-CE1 4.11Å; P235-F237 HydrophobicContact CG-CE2 3.83Å; P235-F237 HydrophobicContact CG-CZ 3.55Å; P235-F237 WeakPolarHBondContact O-CD2 3.33Å; P235-F237 PolarHBondContact O-N 3.28Å; P235-V264 HydrophobicContact CB-CG1 3.88Å; P235-D265 CarbonylContact C-O 3.56Å; P235-D265 VanDerWaalsContact CA-O 3.31Å; P235-D265 WeakPolarHBondContact CA-O 3.49Å; P235-Y266 HydrophobicContact CB-CD1 4.4Å; P235-Y266 HydrophobicContact CB-CE1 4.24Å; P235-Y266 HydrophobicContact CG-CD1 4.01Å; P235-Y266 HydrophobicContact CG-CE1 3.53Å; P235-F292 HydrophobicContact CG-CD2 4.37Å; P235-F292 HydrophobicContact CG-CG 4.36Å; P235-I336 HydrophobicContact CG-CD1 3.58Å |
| 236 | L | 66 | Low | 63.6 | Low | 17 Ų | 17 | 68.9 Ų | 68.9 | 9% | 0.089 | 40% | 0.397 | C | S | . | . | trans | -76.3 | 98.5 | 154.6 | -88.2 | 55.8 | 0 | 0 | 0 | 107.2 | Y234 I238 S241 L249 D265 C267 | Y234-L236 HydrophobicContact CE2-CD1 4.35Å; L236-I238 PolarHBondContact O-N 2.92Å; L236-S241 WeakPolarHBondContact CD2-O 3.02Å; L236-S241 WeakPolarHBondContact CG-OG 3.36Å; L236-L249 HydrophobicContact CD1-CD1 4.28Å; L236-L249 HydrophobicContact CD2-CD1 3.91Å; L236-D265 HydrophobicContact CB-CB 4.09Å; L236-D265 HydrophobicContact CD2-CB 4.14Å; L236-D265 PolarHBondContact N-O 2.87Å; L236-C267 HydrophobicContact CD1-CB 4.31Å; L236-C267 WeakPolarHBondContact CD1-SG 3.47Å | ||
| 237 | F | 57.3 | Low | 64 | Low | 134 Ų | 134 | 69 Ų | 69 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -75.9 | -0.7 | 172.3 | -62.8 | -80 | 0 | 0 | 0 | 113.1 | P235 F292 L334 I336 | P235-F237 HydrophobicContact CB-CD1 4.28Å; P235-F237 HydrophobicContact CB-CD2 4.08Å; P235-F237 HydrophobicContact CB-CE1 4Å; P235-F237 HydrophobicContact CB-CE2 3.78Å; P235-F237 HydrophobicContact CB-CG 4.34Å; P235-F237 HydrophobicContact CB-CZ 3.75Å; P235-F237 HydrophobicContact CG-CE1 4.11Å; P235-F237 HydrophobicContact CG-CE2 3.83Å; P235-F237 HydrophobicContact CG-CZ 3.55Å; P235-F237 WeakPolarHBondContact O-CD2 3.33Å; P235-F237 PolarHBondContact O-N 3.28Å; F237-F292 HydrophobicContact CE2-CE2 4.46Å; F237-F292 HydrophobicContact CE2-CZ 4.37Å; F237-F292 HydrophobicContact CZ-CZ 4.28Å; F237-L334 HydrophobicContact CE1-CD1 4.33Å; F237-I336 HydrophobicContact CE1-CD1 3.92Å; F237-I336 HydrophobicContact CZ-CD1 3.79Å |
| 238 | I | 53 | Low | 64.3 | Low | 121 Ų | 121 | 68.4 Ų | 68.4 | 62% | 0.621 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -135 | 115.6 | 179.9 | -55.7 | 176.5 | 0 | 0 | 0 | 108 | L236 G240 S241 | L236-I238 PolarHBondContact O-N 2.92Å; I238-G240 PolarHBondContact O-N 3.09Å; I238-S241 PolarHBondContact O-N 2.76Å; I238-S241 PolarHBondContact O-OG 2.82Å |
| 239 | N | 49.7 | Very low | 64.8 | Low | 160 Ų | 160 | 69.6 Ų | 69.6 | 86% | 0.856 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.4 | 174.4 | -66.9 | -10.1 | 0 | 0 | 0 | 109.9 | ||
| 240 | G | 54.7 | Low | 65.2 | Low | 84 Ų | 84 | 68.9 Ų | 68.9 | 87% | 0.866 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -1.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | I238 | I238-G240 PolarHBondContact O-N 3.09Š|
| 241 | S | 60.2 | Low | 65.4 | Low | 52 Ų | 52 | 74.7 Ų | 74.7 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | trans | -72.2 | 156.8 | 166.1 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | L236 I238 | L236-S241 WeakPolarHBondContact CD2-O 3.02Å; L236-S241 WeakPolarHBondContact CG-OG 3.36Å; I238-S241 PolarHBondContact O-N 2.76Å; I238-S241 PolarHBondContact O-OG 2.82Å | ||
| 242 | Q | 67.1 | Low | 65.1 | Low | 183 Ų | 183 | 73.9 Ų | 73.9 | 86% | 0.855 | 40% | 0.4 | S | S | * | . | trans | -108.1 | 157.9 | -177.9 | -89.9 | -169.1 | -4 | 0 | 0 | 113.1 | ||||
| 243 | C | 67 | Low | 64.5 | Low | 34 Ų | 34 | 80.6 Ų | 80.6 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 132.6 | 170.3 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | F247 C267 | C243-F247 HydrophobicContact CB-CB 4.14Å; C243-C267 WeakPolarHBondContact CA-SG 2.83Å; C243-C267 HydrophobicContact CB-CB 3.78Å; C243-C267 WeakPolarHBondContact CB-SG 3.43Å; C243-C267 WeakPolarHBondContact SG-CB 3.23Å; C243-C267 CovalentContact SG-SG 2.03Å; C243-C267 PolarHBondContact SG-SG 3.32Å |
| 244 | M | 65.6 | Low | 63.3 | Low | 103 Ų | 103 | 82.2 Ų | 82.2 | 51% | 0.507 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 140.1 | 160.6 | -166.3 | 177.8 | -144.1 | 0 | 0 | 110.2 | Y234 F247 | Y234-M244 VanDerWaalsContact OH-CB 3.23Å; Y234-M244 WeakPolarHBondContact OH-CB 3.5Å; Y234-M244 PolarHBondContact OH-N 3.33Å; M244-F247 HydrophobicContact CB-CD2 4.23Å; M244-F247 WeakPolarHBondContact O-CB 3.26Å; M244-F247 WeakPolarHBondContact O-CD2 3.36Å; M244-F247 PolarHBondContact O-N 3.3Å |
| 245 | P | 60.6 | Low | 62 | Low | 103 Ų | 103 | 86.6 Ų | 86.6 | 67% | 0.669 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 143.1 | -175.7 | -31.3 | 36.4 | 0 | 0 | 0 | 114.5 | F247 | P245-F247 VanDerWaalsContact C-N 3.3Š|
| 246 | N | 59.5 | Low | 61.1 | Low | 106 Ų | 106 | 87.6 Ų | 87.6 | 57% | 0.567 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 19 | -173.6 | -53.3 | -5.4 | 0 | 0 | 0 | 115.3 | P270 F273 | N246-P270 WeakPolarHBondContact O-CD 3.45Å; N246-F273 HydrophobicContact CB-CB 4.48Å; N246-F273 HydrophobicContact CB-CD2 3.41Å; N246-F273 VanDerWaalsContact CB-CD2 3.41Å; N246-F273 HydrophobicContact CB-CE2 3.65Å; N246-F273 HydrophobicContact CB-CG 4Å; N246-F273 HydrophobicContact CB-CZ 4.41Å |
| 247 | F | 73.7 | Confident | 60 | Low | 21 Ų | 21 | 93.8 Ų | 93.8 | 9% | 0.092 | 49% | 0.493 | C | S | . | . | trans | -109.7 | 147 | 163.9 | -70.1 | -109.7 | 0 | 0 | 0 | 110.8 | Y234 C243 M244 P245 C267 V268 A269 F273 L291 | Y234-F247 HydrophobicContact CD1-CD1 4.4Å; Y234-F247 HydrophobicContact CD1-CE1 4.2Å; Y234-F247 AromaticContact CE1-CD1 3.78Å; Y234-F247 HydrophobicContact CE1-CD1 3.78Å; Y234-F247 AromaticContact CE1-CE1 3.83Å; Y234-F247 HydrophobicContact CE1-CE1 3.83Å; Y234-F247 HydrophobicContact CE1-CG 4.16Å; Y234-F247 HydrophobicContact CE1-CZ 4.23Å; C243-F247 HydrophobicContact CB-CB 4.14Å; M244-F247 HydrophobicContact CB-CD2 4.23Å; M244-F247 WeakPolarHBondContact O-CB 3.26Å; M244-F247 WeakPolarHBondContact O-CD2 3.36Å; M244-F247 PolarHBondContact O-N 3.3Å; P245-F247 VanDerWaalsContact C-N 3.3Å; F247-C267 HydrophobicContact CB-CB 4.01Å; F247-C267 WeakPolarHBondContact CD1-O 3.18Å; F247-V268 CarbonylContact C-O 3.58Å; F247-V268 WeakPolarHBondContact CA-O 3.3Å; F247-A269 HydrophobicContact CD1-CB 3.96Å; F247-A269 HydrophobicContact CE1-CB 3.69Å; F247-A269 HydrophobicContact CZ-CB 4.25Å; F247-F273 HydrophobicContact CD2-CE1 4.18Å; F247-F273 HydrophobicContact CD2-CZ 4.49Å; F247-F273 HydrophobicContact CE2-CD1 4.27Å; F247-F273 AromaticContact CE2-CE1 3.42Å; F247-F273 HydrophobicContact CE2-CE1 3.42Å; F247-F273 VanDerWaalsContact CE2-CE1 3.42Å; F247-F273 AromaticContact CE2-CZ 3.82Å; F247-F273 HydrophobicContact CE2-CZ 3.82Å; F247-F273 HydrophobicContact CZ-CD1 4.46Å; F247-F273 AromaticContact CZ-CE1 3.73Å; F247-F273 HydrophobicContact CZ-CE1 3.73Å; F247-L291 HydrophobicContact CE1-CD1 3.86Å; F247-L291 HydrophobicContact CE1-CD2 3.62Å; F247-L291 HydrophobicContact CE1-CG 4.43Å; F247-L291 HydrophobicContact CZ-CD1 4.22Å; F247-L291 HydrophobicContact CZ-CD2 3.93Å | ||
| 248 | V | 70.6 | Confident | 59.4 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 42% | 0.418 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132 | -177.8 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | V268 P270 | V248-V268 PolarHBondContact N-O 3.33Å; V248-V268 PolarHBondContact O-N 3.48Å; V248-P270 HydrophobicContact CG2-CG 3.95Å |
| 249 | L | 77 | Confident | 58.9 | Low | 83 Ų | 83 | 89.5 Ų | 89.5 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 135.4 | -180 | -165.3 | 72.8 | 0 | 0 | 0 | 111.7 | L236 D265 Y266 | L236-L249 HydrophobicContact CD1-CD1 4.28Å; L236-L249 HydrophobicContact CD2-CD1 3.91Å; L249-D265 HydrophobicContact CD1-CB 4.26Å; L249-Y266 CarbonylContact C-O 2.85Å; L249-Y266 WeakPolarHBondContact CA-O 2.97Å |
| 250 | Q | 68.4 | Low | 58.4 | Low | 52 Ų | 52 | 85.4 Ų | 85.4 | 24% | 0.243 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139.5 | 170.6 | -68.8 | -170.2 | -9.2 | 0 | 0 | 110.1 | Y266 V268 | Q250-Y266 PolarHBondContact N-O 3.41Å; Q250-Y266 PolarHBondContact O-N 2.84Å; Q250-V268 HydrophobicContact CB-CG2 4.08Å; Q250-V268 HydrophobicContact CG-CG2 4.02Å |
| 251 | K | 69.1 | Low | 58 | Low | 129 Ų | 129 | 84.7 Ų | 84.7 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 138.1 | 176.2 | -54.6 | -167.6 | 165.8 | -89.5 | 0 | 110.6 | V263 D265 | K251-V263 HydrophobicContact CB-CG1 4.17Å; K251-V263 HydrophobicContact CD-CG1 4.41Å; K251-D265 VanDerWaalsContact CG-OD1 3.27Å; K251-D265 WeakPolarHBondContact CG-OD1 3.49Å; K251-D265 IonicContact NZ-OD1 3.42Å; K251-D265 PolarHBondContact NZ-OD1 2.96Å; K251-D265 IonicContact NZ-OD2 3.22Å; K251-D265 PolarHBondContact NZ-OD2 3.27Å |
| 252 | Q | 58.6 | Low | 57.8 | Low | 44 Ų | 44 | 85.1 Ų | 85.1 | 21% | 0.206 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.4 | 175.4 | -64.7 | -159.9 | -20.4 | 0 | 0 | 112.7 | V264 Y266 V294 G295 | Q252-V264 PolarHBondContact N-O 3.35Å; Q252-V264 PolarHBondContact O-N 2.89Å; Q252-Y266 HydrophobicContact CB-CD2 4.06Å; Q252-Y266 HydrophobicContact CB-CE2 3.98Å; Q252-Y266 HydrophobicContact CG-CD2 4.19Å; Q252-Y266 HydrophobicContact CG-CE2 4.45Å; Q252-V294 VanDerWaalsContact CD-CG1 3.49Å; Q252-V294 HydrophobicContact CG-CG1 4.25Å; Q252-V294 VanDerWaalsContact NE2-C 3.32Å; Q252-V294 VanDerWaalsContact NE2-CG1 3.29Å; Q252-V294 PolarHBondContact NE2-O 3.07Å; Q252-G295 VanDerWaalsContact OE1-N 3.15Å |
| 253 | F | 59.8 | Low | 57.6 | Low | 143 Ų | 143 | 79.8 Ų | 79.8 | 63% | 0.627 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 113.8 | 178.1 | -62.9 | -94 | 0 | 0 | 0 | 109.7 | V261 V263 | F253-V261 HydrophobicContact CB-CG1 3.79Å; F253-V261 HydrophobicContact CD1-CG1 4Å; F253-V261 HydrophobicContact CG-CG1 4.4Å; F253-V263 HydrophobicContact CD1-CG2 3.8Å; F253-V263 HydrophobicContact CE1-CG2 3.6Å; F253-V263 HydrophobicContact CZ-CG2 4.36Å |
| 254 | V | 51.4 | Low | 57.6 | Low | 34 Ų | 34 | 78.8 Ų | 78.8 | 21% | 0.206 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.3 | 178.4 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | V262 V264 L334 | V254-V262 PolarHBondContact N-O 2.92Å; V254-V262 PolarHBondContact O-N 3Å; V254-V264 HydrophobicContact CB-CG2 4.21Å; V254-V264 HydrophobicContact CG2-CB 4.15Å; V254-V264 HydrophobicContact CG2-CG2 3.81Å; V254-L334 HydrophobicContact CB-CD2 4.46Å; V254-L334 HydrophobicContact CG1-CD2 3.86Å; V254-L334 HydrophobicContact CG2-CD2 4.35Å |
| 255 | K | 47.4 | Very low | 58 | Low | 142 Ų | 142 | 75.4 Ų | 75.4 | 62% | 0.617 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.6 | 176.2 | -164.2 | 168.4 | -171 | 176.6 | 0 | 110.2 | S259 V261 | K255-S259 WeakPolarHBondContact CE-O 3.4Å; K255-V261 HydrophobicContact CB-CG2 4.17Å; K255-V261 HydrophobicContact CD-CG2 4.21Å; K255-V261 HydrophobicContact CG-CG2 3.92Å |
| 256 | L | 46.2 | Very low | 58.7 | Low | 26 Ų | 26 | 70.9 Ų | 70.9 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | trans | -77.9 | 163.8 | 176.7 | -54.7 | -168.5 | 0 | 0 | 0 | 111.3 | S258 S259 T260 V262 I333 | L256-S258 WeakPolarHBondContact CB-OG 3.21Å; L256-S258 PolarHBondContact O-N 3.37Å; L256-S259 WeakPolarHBondContact O-CA 3.19Å; L256-S259 PolarHBondContact O-N 2.78Å; L256-T260 WeakPolarHBondContact CB-O 3.34Å; L256-T260 PolarHBondContact N-O 2.82Å; L256-V262 HydrophobicContact CD1-CG2 3.76Å; L256-V262 HydrophobicContact CD2-CG2 4.28Å; L256-V262 HydrophobicContact CG-CG2 3.92Å; L256-I333 HydrophobicContact CD1-CG1 4.4Å; L256-I333 HydrophobicContact CD1-CG2 4.4Å; L256-I333 HydrophobicContact CD2-CG2 3.88Å; L256-I333 WeakPolarHBondContact CD2-O 3.36Å | ||
| 257 | E | 42.3 | Very low | 59.5 | Low | 146 Ų | 146 | 65.8 Ų | 65.8 | 68% | 0.682 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -25.8 | 174.4 | -65 | -176.2 | 173.7 | 0 | 0 | 112 | S259 Q335 | E257-S259 PolarHBondContact O-N 3.47Å; E257-S259 VanDerWaalsContact O-N 3.14Å; E257-Q335 PolarHBondContact OE1-NE2 3.14Å |
| 258 | S | 45.1 | Very low | 59.8 | Low | 83 Ų | 83 | 64.8 Ų | 64.8 | 58% | 0.58 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 12.5 | 168.4 | 50.1 | 0 | 0 | 0 | 0 | 114.6 | L256 T260 | L256-S258 WeakPolarHBondContact CB-OG 3.21Å; L256-S258 PolarHBondContact O-N 3.37Å; S258-T260 PolarHBondContact O-N 3.08Å; S258-T260 PolarHBondContact OG-OG1 2.84Å |
| 259 | S | 42.3 | Very low | 59.9 | Low | 82 Ų | 82 | 61.6 Ų | 61.6 | 57% | 0.573 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 60.2 | -11.7 | -174.6 | -68.3 | 0 | 0 | 0 | 0 | 117.2 | K255 L256 E257 | K255-S259 WeakPolarHBondContact CE-O 3.4Å; L256-S259 WeakPolarHBondContact O-CA 3.19Å; L256-S259 PolarHBondContact O-N 2.78Å; E257-S259 PolarHBondContact O-N 3.47Å; E257-S259 VanDerWaalsContact O-N 3.14Å |
| 260 | T | 39.2 | Very low | 59.5 | Low | 75 Ų | 75 | 58.5 Ų | 58.5 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | trans | -60.1 | 135.1 | 170.4 | 44.8 | 0 | 0 | 0 | 0 | 111.4 | L256 S258 | L256-T260 WeakPolarHBondContact CB-O 3.34Å; L256-T260 PolarHBondContact N-O 2.82Å; S258-T260 PolarHBondContact O-N 3.08Å; S258-T260 PolarHBondContact OG-OG1 2.84Å | ||
| 261 | V | 47.2 | Very low | 59.3 | Low | 68 Ų | 68 | 58.5 Ų | 58.5 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.4 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | F253 K255 | F253-V261 HydrophobicContact CB-CG1 3.79Å; F253-V261 HydrophobicContact CD1-CG1 4Å; F253-V261 HydrophobicContact CG-CG1 4.4Å; K255-V261 HydrophobicContact CB-CG2 4.17Å; K255-V261 HydrophobicContact CD-CG2 4.21Å; K255-V261 HydrophobicContact CG-CG2 3.92Å |
| 262 | V | 55.5 | Low | 59 | Low | 61 Ų | 61 | 52.7 Ų | 52.7 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.9 | 177.7 | 177 | 0 | 0 | 0 | 0 | 109.3 | V254 L256 V264 | V254-V262 PolarHBondContact N-O 2.92Å; V254-V262 PolarHBondContact O-N 3Å; L256-V262 HydrophobicContact CD1-CG2 3.76Å; L256-V262 HydrophobicContact CD2-CG2 4.28Å; L256-V262 HydrophobicContact CG-CG2 3.92Å; V262-V264 HydrophobicContact CG1-CG2 4.11Å; V262-V264 PolarHBondContact O-N 2.98Å |
| 263 | V | 64.2 | Low | 59.3 | Low | 71 Ų | 71 | 51.6 Ų | 51.6 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 120.9 | 168.5 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | K251 F253 | K251-V263 HydrophobicContact CB-CG1 4.17Å; K251-V263 HydrophobicContact CD-CG1 4.41Å; F253-V263 HydrophobicContact CD1-CG2 3.8Å; F253-V263 HydrophobicContact CE1-CG2 3.6Å; F253-V263 HydrophobicContact CZ-CG2 4.36Å |
| 264 | V | 66.2 | Low | 59.4 | Low | 14 Ų | 14 | 46.1 Ų | 46.1 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.1 | 175.6 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | P235 Q252 V254 V262 Y266 | P235-V264 HydrophobicContact CB-CG1 3.88Å; Q252-V264 PolarHBondContact N-O 3.35Å; Q252-V264 PolarHBondContact O-N 2.89Å; V254-V264 HydrophobicContact CB-CG2 4.21Å; V254-V264 HydrophobicContact CG2-CB 4.15Å; V254-V264 HydrophobicContact CG2-CG2 3.81Å; V262-V264 HydrophobicContact CG1-CG2 4.11Å; V262-V264 PolarHBondContact O-N 2.98Å; V264-Y266 HydrophobicContact CB-CD2 4.41Å; V264-Y266 HydrophobicContact CB-CE2 3.85Å; V264-Y266 HydrophobicContact CG1-CD2 4.04Å; V264-Y266 HydrophobicContact CG1-CE2 3.56Å; V264-Y266 WeakPolarHBondContact O-CD2 3.3Å |
| 265 | D | 73.8 | Confident | 59.6 | Low | 31 Ų | 31 | 47.1 Ų | 47.1 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138 | 174.6 | -75.1 | 11.9 | 0 | 0 | 0 | 109.7 | P235 L236 L249 K251 | P235-D265 CarbonylContact C-O 3.56Å; P235-D265 VanDerWaalsContact CA-O 3.31Å; P235-D265 WeakPolarHBondContact CA-O 3.49Å; L236-D265 HydrophobicContact CB-CB 4.09Å; L236-D265 HydrophobicContact CD2-CB 4.14Å; L236-D265 PolarHBondContact N-O 2.87Å; L249-D265 HydrophobicContact CD1-CB 4.26Å; K251-D265 VanDerWaalsContact CG-OD1 3.27Å; K251-D265 WeakPolarHBondContact CG-OD1 3.49Å; K251-D265 IonicContact NZ-OD1 3.42Å; K251-D265 PolarHBondContact NZ-OD1 2.96Å; K251-D265 IonicContact NZ-OD2 3.22Å; K251-D265 PolarHBondContact NZ-OD2 3.27Å |
| 266 | Y | 75.7 | Confident | 60 | Low | 8 Ų | 8 | 45.2 Ų | 45.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.3 | 179.7 | -75.5 | -99.9 | 0 | 0 | 0 | 111 | Y234 P235 L249 Q250 Q252 V264 F292 V294 I336 | Y234-Y266 CarbonylContact O-C 3.59Å; Y234-Y266 VanDerWaalsContact O-CA 3.25Å; Y234-Y266 WeakPolarHBondContact O-CA 2.98Å; P235-Y266 HydrophobicContact CB-CD1 4.4Å; P235-Y266 HydrophobicContact CB-CE1 4.24Å; P235-Y266 HydrophobicContact CG-CD1 4.01Å; P235-Y266 HydrophobicContact CG-CE1 3.53Å; L249-Y266 CarbonylContact C-O 2.85Å; L249-Y266 WeakPolarHBondContact CA-O 2.97Å; Q250-Y266 PolarHBondContact N-O 3.41Å; Q250-Y266 PolarHBondContact O-N 2.84Å; Q252-Y266 HydrophobicContact CB-CD2 4.06Å; Q252-Y266 HydrophobicContact CB-CE2 3.98Å; Q252-Y266 HydrophobicContact CG-CD2 4.19Å; Q252-Y266 HydrophobicContact CG-CE2 4.45Å; V264-Y266 HydrophobicContact CB-CD2 4.41Å; V264-Y266 HydrophobicContact CB-CE2 3.85Å; V264-Y266 HydrophobicContact CG1-CD2 4.04Å; V264-Y266 HydrophobicContact CG1-CE2 3.56Å; V264-Y266 WeakPolarHBondContact O-CD2 3.3Å; Y266-F292 HydrophobicContact CE1-CB 4.4Å; Y266-V294 HydrophobicContact CD1-CB 4.37Å; Y266-V294 HydrophobicContact CD1-CG1 4.11Å; Y266-V294 HydrophobicContact CD1-CG2 3.47Å; Y266-V294 VanDerWaalsContact CD1-CG2 3.47Å; Y266-V294 HydrophobicContact CD2-CG1 4.33Å; Y266-V294 HydrophobicContact CE1-CG2 4.05Å; Y266-V294 HydrophobicContact CG-CG1 3.86Å; Y266-V294 HydrophobicContact CG-CG2 4.04Å; Y266-I336 HydrophobicContact CE1-CG2 4.49Å |
| 267 | C | 75.5 | Confident | 60.3 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 116.7 | 170 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | G233 Y234 L236 C243 F247 | G233-C267 CarbonylContact C-O 3.56Å; G233-C267 VanDerWaalsContact C-O 3.25Å; G233-C267 WeakPolarHBondContact CA-O 2.95Å; Y234-C267 HydrophobicContact CD1-CB 4.43Å; Y234-C267 HydrophobicContact CD2-CB 4.34Å; Y234-C267 HydrophobicContact CE1-CB 3.84Å; Y234-C267 HydrophobicContact CE2-CB 3.74Å; Y234-C267 VanDerWaalsContact CZ-CB 3.43Å; Y234-C267 PolarHBondContact N-O 3.45Å; Y234-C267 PolarHBondContact O-N 3.44Å; Y234-C267 WeakPolarHBondContact OH-CB 3.45Å; L236-C267 HydrophobicContact CD1-CB 4.31Å; L236-C267 WeakPolarHBondContact CD1-SG 3.47Å; C243-C267 WeakPolarHBondContact CA-SG 2.83Å; C243-C267 HydrophobicContact CB-CB 3.78Å; C243-C267 WeakPolarHBondContact CB-SG 3.43Å; C243-C267 WeakPolarHBondContact SG-CB 3.23Å; C243-C267 CovalentContact SG-SG 2.03Å; C243-C267 PolarHBondContact SG-SG 3.32Å; F247-C267 HydrophobicContact CB-CB 4.01Å; F247-C267 WeakPolarHBondContact CD1-O 3.18Å |
| 268 | V | 79.8 | Confident | 60.5 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.1 | -166.9 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | G230 L232 F247 V248 Q250 V294 | G230-V268 WeakPolarHBondContact O-CG1 3.43Å; L232-V268 CarbonylContact O-C 3.49Å; L232-V268 WeakPolarHBondContact O-CA 3.44Å; F247-V268 CarbonylContact C-O 3.58Å; F247-V268 WeakPolarHBondContact CA-O 3.3Å; V248-V268 PolarHBondContact N-O 3.33Å; V248-V268 PolarHBondContact O-N 3.48Å; Q250-V268 HydrophobicContact CB-CG2 4.08Å; Q250-V268 HydrophobicContact CG-CG2 4.02Å; V268-V294 HydrophobicContact CG2-CB 4.16Å; V268-V294 HydrophobicContact CG2-CG1 3.75Å; V268-V294 HydrophobicContact CG2-CG2 4.2Å |
| 269 | A | 72.7 | Confident | 60.4 | Low | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G230 L232 F247 F273 I274 L291 | G230-A269 VanDerWaalsContact CA-O 3.27Å; G230-A269 WeakPolarHBondContact CA-O 3.24Å; G230-A269 PolarHBondContact N-O 3.47Å; L232-A269 PolarHBondContact O-N 3Å; F247-A269 HydrophobicContact CD1-CB 3.96Å; F247-A269 HydrophobicContact CE1-CB 3.69Å; F247-A269 HydrophobicContact CZ-CB 4.25Å; A269-F273 HydrophobicContact CB-CD1 3.98Å; A269-I274 HydrophobicContact CB-CD1 4Å; A269-I274 HydrophobicContact CB-CG1 3.79Å; A269-L291 HydrophobicContact CB-CD1 4.19Å |
| 270 | P | 69.3 | Low | 60.4 | Low | 18 Ų | 18 | 43.6 Ų | 43.6 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 151.5 | 167.5 | -22 | 34.1 | 0 | 0 | 0 | 112.4 | D228 N246 V248 G272 F273 I274 | D228-P270 CarbonylContact O-C 3.57Å; D228-P270 VanDerWaalsContact O-CA 3.28Å; D228-P270 WeakPolarHBondContact O-CA 3.45Å; N246-P270 WeakPolarHBondContact O-CD 3.45Å; V248-P270 HydrophobicContact CG2-CG 3.95Å; P270-G272 VanDerWaalsContact C-N 3.27Å; P270-G272 PolarHBondContact O-N 2.68Å; P270-F273 PolarHBondContact O-N 3.44Å; P270-I274 PolarHBondContact O-N 3.14Å |
| 271 | H | 65 | Low | 60.4 | Low | 52 Ų | 52 | 44 Ų | 44 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.8 | -41.6 | 177.8 | -88.6 | -94.4 | 0 | 0 | 0 | 112.2 | D228 G230 F273 I274 Y275 | D228-H271 PolarHBondContact O-N 2.96Å; G230-H271 VanDerWaalsContact CA-CD2 3.47Å; G230-H271 WeakPolarHBondContact CA-CD2 3.32Å; H271-F273 VanDerWaalsContact C-N 3.33Å; H271-F273 PolarHBondContact O-N 3.02Å; H271-I274 PolarHBondContact O-N 3.36Å; H271-Y275 VanDerWaalsContact O-CB 3.31Å; H271-Y275 WeakPolarHBondContact O-CB 3.38Å; H271-Y275 PolarHBondContact O-N 2.82Å |
| 272 | G | 63.2 | Low | 60 | Low | 8 Ų | 8 | 47.6 Ų | 47.6 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -31.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C226 P270 Q276 | C226-G272 WeakPolarHBondContact O-CA 3.37Å; C226-G272 PolarHBondContact O-N 3.07Å; P270-G272 VanDerWaalsContact C-N 3.27Å; P270-G272 PolarHBondContact O-N 2.68Å; G272-Q276 VanDerWaalsContact O-CB 3.25Å; G272-Q276 WeakPolarHBondContact O-CB 2.94Å; G272-Q276 VanDerWaalsContact O-CG 3.29Å; G272-Q276 WeakPolarHBondContact O-CG 3.05Å; G272-Q276 PolarHBondContact O-N 3.16Å |
| 273 | F | 64.4 | Low | 59.1 | Low | 20 Ų | 20 | 52.9 Ų | 52.9 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.3 | -41.4 | 176 | 176.6 | -107.1 | 0 | 0 | 0 | 111.8 | N246 F247 A269 P270 H271 Y275 R277 | N246-F273 HydrophobicContact CB-CB 4.48Å; N246-F273 HydrophobicContact CB-CD2 3.41Å; N246-F273 VanDerWaalsContact CB-CD2 3.41Å; N246-F273 HydrophobicContact CB-CE2 3.65Å; N246-F273 HydrophobicContact CB-CG 4Å; N246-F273 HydrophobicContact CB-CZ 4.41Å; F247-F273 HydrophobicContact CD2-CE1 4.18Å; F247-F273 HydrophobicContact CD2-CZ 4.49Å; F247-F273 HydrophobicContact CE2-CD1 4.27Å; F247-F273 AromaticContact CE2-CE1 3.42Å; F247-F273 HydrophobicContact CE2-CE1 3.42Å; F247-F273 VanDerWaalsContact CE2-CE1 3.42Å; F247-F273 AromaticContact CE2-CZ 3.82Å; F247-F273 HydrophobicContact CE2-CZ 3.82Å; F247-F273 HydrophobicContact CZ-CD1 4.46Å; F247-F273 AromaticContact CZ-CE1 3.73Å; F247-F273 HydrophobicContact CZ-CE1 3.73Å; A269-F273 HydrophobicContact CB-CD1 3.98Å; P270-F273 PolarHBondContact O-N 3.44Å; H271-F273 VanDerWaalsContact C-N 3.33Å; H271-F273 PolarHBondContact O-N 3.02Å; F273-Y275 VanDerWaalsContact C-N 3.34Å; F273-R277 HydrophobicContact CE2-CG 4.41Å; F273-R277 HydrophobicContact CZ-CG 4.49Å; F273-R277 VanDerWaalsContact CZ-CZ 3.41Å; F273-R277 WeakPolarHBondContact O-CB 3.43Å; F273-R277 PolarHBondContact O-N 3.08Å |
| 274 | I | 62.2 | Low | 57.9 | Low | 28 Ų | 28 | 54.4 Ų | 54.4 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 173.3 | -58.8 | 171.8 | 0 | 0 | 0 | 108.8 | A269 P270 H271 R277 H278 F304 | A269-I274 HydrophobicContact CB-CD1 4Å; A269-I274 HydrophobicContact CB-CG1 3.79Å; P270-I274 PolarHBondContact O-N 3.14Å; H271-I274 PolarHBondContact O-N 3.36Å; I274-R277 PolarHBondContact O-N 3.49Å; I274-H278 PolarHBondContact O-CD2 3.04Å; I274-H278 PolarHBondContact O-N 3.4Å; I274-F304 HydrophobicContact CG2-CE2 4.34Å |
| 275 | Y | 55.5 | Low | 56.5 | Low | 55 Ų | 55 | 63.4 Ų | 63.4 | 22% | 0.216 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -42.8 | -179.3 | -167.5 | -110.2 | 0 | 0 | 0 | 114.2 | H271 F273 R277 H278 H279 | H271-Y275 VanDerWaalsContact O-CB 3.31Å; H271-Y275 WeakPolarHBondContact O-CB 3.38Å; H271-Y275 PolarHBondContact O-N 2.82Å; F273-Y275 VanDerWaalsContact C-N 3.34Å; Y275-R277 VanDerWaalsContact C-N 3.34Å; Y275-R277 PolarHBondContact O-N 2.79Å; Y275-H278 WeakPolarHBondContact O-CB 2.95Å; Y275-H278 PolarHBondContact O-N 3.38Å; Y275-H278 VanDerWaalsContact O-N 3.11Å; Y275-H279 AromaticContact CD2-CD2 3.98Å; Y275-H279 AromaticContact CD2-NE2 3.86Å; Y275-H279 AromaticContact CE1-CD2 3.77Å; Y275-H279 AromaticContact CE2-CD2 3.67Å; Y275-H279 AromaticContact CE2-NE2 3.23Å; Y275-H279 WeakPolarHBondContact CE2-NE2 3.3Å; Y275-H279 AromaticContact CZ-CD2 3.56Å; Y275-H279 AromaticContact CZ-NE2 3.35Å; Y275-H279 PolarHBondContact O-N 2.77Å; Y275-H279 VanDerWaalsContact O-N 3.12Å |
| 276 | Q | 54.5 | Low | 54.9 | Low | 102 Ų | 102 | 66.7 Ų | 66.7 | 48% | 0.477 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.1 | -33.1 | 175.5 | -77.1 | -174.8 | 3 | 0 | 0 | 112.4 | G272 H278 N280 | G272-Q276 VanDerWaalsContact O-CB 3.25Å; G272-Q276 WeakPolarHBondContact O-CB 2.94Å; G272-Q276 VanDerWaalsContact O-CG 3.29Å; G272-Q276 WeakPolarHBondContact O-CG 3.05Å; G272-Q276 PolarHBondContact O-N 3.16Å; Q276-H278 VanDerWaalsContact C-N 3.34Å; Q276-N280 WeakPolarHBondContact O-CB 3.23Å; Q276-N280 PolarHBondContact O-N 3.21Å; Q276-N280 PolarHBondContact O-ND2 3.21Å |
| 277 | R | 52.5 | Low | 53.3 | Low | 84 Ų | 84 | 71.3 Ų | 71.3 | 32% | 0.317 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.1 | -24.6 | 170.4 | -84.5 | -171.1 | 166 | -176.4 | -0.5 | 113.1 | F273 I274 Y275 | F273-R277 HydrophobicContact CE2-CG 4.41Å; F273-R277 HydrophobicContact CZ-CG 4.49Å; F273-R277 VanDerWaalsContact CZ-CZ 3.41Å; F273-R277 WeakPolarHBondContact O-CB 3.43Å; F273-R277 PolarHBondContact O-N 3.08Å; I274-R277 PolarHBondContact O-N 3.49Å; Y275-R277 VanDerWaalsContact C-N 3.34Å; Y275-R277 PolarHBondContact O-N 2.79Å |
| 278 | H | 46.7 | Very low | 52.2 | Low | 47 Ų | 47 | 79 Ų | 79 | 22% | 0.218 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.7 | -49.3 | 170.7 | -80.1 | -54.7 | 0 | 0 | 0 | 112.8 | I274 Y275 Q276 W346 | I274-H278 PolarHBondContact O-CD2 3.04Å; I274-H278 PolarHBondContact O-N 3.4Å; Y275-H278 WeakPolarHBondContact O-CB 2.95Å; Y275-H278 PolarHBondContact O-N 3.38Å; Y275-H278 VanDerWaalsContact O-N 3.11Å; Q276-H278 VanDerWaalsContact C-N 3.34Å; H278-W346 HydrophobicContact CB-CZ3 4.39Å; H278-W346 AromaticContact CE1-CD2 3.51Å; H278-W346 AromaticContact CE1-CE2 3.06Å; H278-W346 AromaticContact CE1-CE3 3.94Å; H278-W346 AromaticContact CE1-CH2 3.59Å; H278-W346 AromaticContact CE1-CZ2 3.12Å; H278-W346 WeakPolarHBondContact CE1-CZ2 3.08Å; H278-W346 AromaticContact CE1-CZ3 3.98Å; H278-W346 AromaticContact CE1-NE1 3.49Å; H278-W346 PolarHBondContact CE1-NE1 2.91Å; H278-W346 AromaticContact CG-CH2 3.92Å; H278-W346 AromaticContact CG-CZ3 3.83Å; H278-W346 AromaticContact ND1-CD2 3.26Å; H278-W346 VanDerWaalsContact ND1-CD2 3.26Å; H278-W346 AromaticContact ND1-CE2 3.36Å; H278-W346 AromaticContact ND1-CE3 3.35Å; H278-W346 VanDerWaalsContact ND1-CE3 3.35Å; H278-W346 AromaticContact ND1-CG 3.93Å; H278-W346 AromaticContact ND1-CH2 3.61Å; H278-W346 AromaticContact ND1-CZ2 3.55Å; H278-W346 AromaticContact ND1-CZ3 3.52Å; H278-W346 AromaticContact NE2-CE2 3.97Å; H278-W346 AromaticContact NE2-CH2 3.85Å; H278-W346 AromaticContact NE2-CZ2 3.57Å |
| 279 | H | 44.2 | Very low | 51.2 | Low | 92 Ų | 92 | 81 Ų | 81 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -85.2 | -16.7 | -172.2 | -68.9 | -59.8 | 0 | 0 | 0 | 115.1 | Y275 A281 | Y275-H279 AromaticContact CD2-CD2 3.98Å; Y275-H279 AromaticContact CD2-NE2 3.86Å; Y275-H279 AromaticContact CE1-CD2 3.77Å; Y275-H279 AromaticContact CE2-CD2 3.67Å; Y275-H279 AromaticContact CE2-NE2 3.23Å; Y275-H279 WeakPolarHBondContact CE2-NE2 3.3Å; Y275-H279 AromaticContact CZ-CD2 3.56Å; Y275-H279 AromaticContact CZ-NE2 3.35Å; Y275-H279 PolarHBondContact O-N 2.77Å; Y275-H279 VanDerWaalsContact O-N 3.12Å; H279-A281 VanDerWaalsContact C-N 3.28Å; H279-A281 PolarHBondContact O-N 2.92Å |
| 280 | N | 41.2 | Very low | 50.6 | Low | 81 Ų | 81 | 84.1 Ų | 84.1 | 43% | 0.433 | 41% | 0.408 | S | S | . | . | trans | -80.5 | 69.7 | 175.8 | -79.9 | -55 | 0 | 0 | 0 | 113.1 | Q276 I282 Y283 | Q276-N280 WeakPolarHBondContact O-CB 3.23Å; Q276-N280 PolarHBondContact O-N 3.21Å; Q276-N280 PolarHBondContact O-ND2 3.21Å; N280-I282 PolarHBondContact O-N 3.33Å; N280-Y283 HydrophobicContact CB-CD2 4.21Å; N280-Y283 PolarHBondContact O-N 2.82Å; N280-Y283 VanDerWaalsContact O-N 3.11Å | ||
| 281 | A | 38.6 | Very low | 50.9 | Low | 82 Ų | 82 | 83.7 Ų | 83.7 | 68% | 0.678 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -14 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | H279 Y283 N284 | H279-A281 VanDerWaalsContact C-N 3.28Å; H279-A281 PolarHBondContact O-N 2.92Å; A281-Y283 VanDerWaalsContact C-N 3.33Å; A281-Y283 PolarHBondContact O-N 3.15Å; A281-N284 PolarHBondContact O-ND2 2.83Å |
| 282 | I | 40.7 | Very low | 51.1 | Low | 144 Ų | 144 | 83.3 Ų | 83.3 | 74% | 0.738 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -30.9 | 177.3 | -59.3 | 176.7 | 0 | 0 | 0 | 111.6 | N280 N284 | N280-I282 PolarHBondContact O-N 3.33Å; I282-N284 VanDerWaalsContact C-N 3.32Å; I282-N284 PolarHBondContact O-N 2.95Å |
| 283 | Y | 35.9 | Very low | 51.4 | Low | 172 Ų | 172 | 83.4 Ų | 83.4 | 68% | 0.675 | 40% | 0.401 | S | S | * | . | trans | -88.4 | 58.3 | -176 | -70.3 | -70.3 | 0 | 0 | 0 | 114.1 | N280 A281 K285 F286 | N280-Y283 HydrophobicContact CB-CD2 4.21Å; N280-Y283 PolarHBondContact O-N 2.82Å; N280-Y283 VanDerWaalsContact O-N 3.11Å; A281-Y283 VanDerWaalsContact C-N 3.33Å; A281-Y283 PolarHBondContact O-N 3.15Å; Y283-K285 PolarHBondContact O-N 2.6Å; Y283-F286 PolarHBondContact O-N 2.94Å | ||
| 284 | N | 38.1 | Very low | 51.4 | Low | 104 Ų | 104 | 82.8 Ų | 82.8 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -54 | -9.4 | 180 | -90.7 | -66 | 0 | 0 | 0 | 116.5 | A281 I282 K287 | A281-N284 PolarHBondContact O-ND2 2.83Å; I282-N284 VanDerWaalsContact C-N 3.32Å; I282-N284 PolarHBondContact O-N 2.95Å; N284-K287 WeakPolarHBondContact OD1-CE 3.03Å; N284-K287 PolarHBondContact OD1-NZ 2.98Å |
| 285 | K | 37.8 | Very low | 51.2 | Low | 203 Ų | 203 | 83.1 Ų | 83.1 | 88% | 0.883 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -82.2 | -15.8 | 178.9 | -81.4 | -171.2 | 172.5 | -176.9 | 0 | 115.6 | Y283 | Y283-K285 PolarHBondContact O-N 2.6Š|
| 286 | F | 38.8 | Very low | 50.9 | Low | 99 Ų | 99 | 87 Ų | 87 | 43% | 0.434 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -100.5 | 22.9 | -175.5 | -86.4 | -76.6 | 0 | 0 | 0 | 114.7 | Y283 Q288 | Y283-F286 PolarHBondContact O-N 2.94Å; F286-Q288 PolarHBondContact O-N 3.18Å; F286-Q288 VanDerWaalsContact O-N 3.12Å |
| 287 | K | 43.7 | Very low | 50.6 | Low | 105 Ų | 105 | 85 Ų | 85 | 46% | 0.457 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -64 | -15.5 | -174.6 | -74.7 | -169.6 | 177.1 | -177.6 | 0 | 116.2 | N284 | N284-K287 WeakPolarHBondContact OD1-CE 3.03Å; N284-K287 PolarHBondContact OD1-NZ 2.98Å |
| 288 | Q | 52.3 | Low | 50.6 | Low | 161 Ų | 161 | 86.3 Ų | 86.3 | 75% | 0.752 | 43% | 0.433 | S | S | * | . | trans | -135.6 | 107.3 | 176.5 | -72.8 | 177.6 | -12.1 | 0 | 0 | 109.3 | F286 P343 | F286-Q288 PolarHBondContact O-N 3.18Å; F286-Q288 VanDerWaalsContact O-N 3.12Å; Q288-P343 HydrophobicContact CG-CG 3.78Å | ||
| 289 | F | 58.9 | Low | 50.9 | Low | 43 Ų | 43 | 92.6 Ų | 92.6 | 19% | 0.189 | 46% | 0.456 | C | S | . | . | trans | -138.6 | 154 | 164.4 | 70.9 | -91.8 | 0 | 0 | 0 | 110 | L291 F304 C340 V341 | F289-L291 HydrophobicContact CD2-CD1 4.4Å; F289-L291 HydrophobicContact CD2-CG 3.99Å; F289-L291 HydrophobicContact CE2-CD1 3.8Å; F289-L291 HydrophobicContact CE2-CG 3.89Å; F289-F304 AromaticContact CE2-CE1 3.86Å; F289-F304 HydrophobicContact CE2-CE1 3.86Å; F289-F304 HydrophobicContact CE2-CZ 4.14Å; F289-F304 HydrophobicContact CZ-CE1 4.18Å; F289-F304 HydrophobicContact CZ-CZ 4.09Å; F289-C340 WeakPolarHBondContact O-CA 3.42Å; F289-V341 HydrophobicContact CD1-CG2 3.84Å; F289-V341 HydrophobicContact CD2-CG2 4.37Å; F289-V341 HydrophobicContact CE1-CG2 3.54Å; F289-V341 HydrophobicContact CE2-CG2 4.1Å; F289-V341 HydrophobicContact CG-CG2 4.25Å; F289-V341 HydrophobicContact CZ-CG2 3.68Å; F289-V341 PolarHBondContact O-N 3.35Å | ||
| 290 | C | 60.4 | Low | 51.3 | Low | 67 Ų | 67 | 89.4 Ų | 89.4 | 45% | 0.453 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.8 | -180 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | T338 C339 C340 | C290-T338 HydrophobicContact CB-CG2 3.78Å; C290-C339 CarbonylContact C-O 3.58Å; C290-C339 WeakPolarHBondContact CA-O 3.38Å; C290-C340 HydrophobicContact CB-CB 4.04Å; C290-C340 WeakPolarHBondContact CB-SG 3.2Å; C290-C340 WeakPolarHBondContact SG-CB 3.18Å; C290-C340 CovalentContact SG-SG 2.04Å; C290-C340 PolarHBondContact SG-SG 3.46Å |
| 291 | L | 74.3 | Confident | 52 | Low | 8 Ų | 8 | 87.2 Ų | 87.2 | 4% | 0.042 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.9 | 171.8 | -67.5 | -178.4 | 0 | 0 | 0 | 108.3 | L232 G233 Y234 F247 A269 F289 C339 | L232-L291 HydrophobicContact CB-CB 3.88Å; L232-L291 HydrophobicContact CB-CD1 3.74Å; L232-L291 HydrophobicContact CB-CG 4.48Å; L232-L291 HydrophobicContact CD2-CB 4.18Å; L232-L291 HydrophobicContact CG-CB 4.5Å; G233-L291 CarbonylContact O-C 3.44Å; G233-L291 VanDerWaalsContact O-CA 3.23Å; G233-L291 WeakPolarHBondContact O-CA 3.32Å; G233-L291 VanDerWaalsContact O-CB 3.29Å; G233-L291 WeakPolarHBondContact O-CB 3.45Å; Y234-L291 HydrophobicContact CD1-CD2 3.82Å; F247-L291 HydrophobicContact CE1-CD1 3.86Å; F247-L291 HydrophobicContact CE1-CD2 3.62Å; F247-L291 HydrophobicContact CE1-CG 4.43Å; F247-L291 HydrophobicContact CZ-CD1 4.22Å; F247-L291 HydrophobicContact CZ-CD2 3.93Å; A269-L291 HydrophobicContact CB-CD1 4.19Å; F289-L291 HydrophobicContact CD2-CD1 4.4Å; F289-L291 HydrophobicContact CD2-CG 3.99Å; F289-L291 HydrophobicContact CE2-CD1 3.8Å; F289-L291 HydrophobicContact CE2-CG 3.89Å; L291-C339 PolarHBondContact N-O 3.47Å; L291-C339 CarbonylContact O-C 2.93Å; L291-C339 WeakPolarHBondContact O-CA 3.06Å; L291-C339 VanDerWaalsContact O-CB 3.28Å; L291-C339 WeakPolarHBondContact O-CB 3.45Å; L291-C339 PolarHBondContact O-N 2.88Å |
| 292 | F | 70.6 | Confident | 52.5 | Low | 44 Ų | 44 | 84.4 Ų | 84.4 | 19% | 0.193 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 150.8 | 169.6 | -59.4 | -95.3 | 0 | 0 | 0 | 110.3 | G233 P235 F237 Y266 V294 I336 I337 T338 | G233-F292 PolarHBondContact N-O 3.45Å; G233-F292 PolarHBondContact O-N 3.17Å; P235-F292 HydrophobicContact CG-CD2 4.37Å; P235-F292 HydrophobicContact CG-CG 4.36Å; F237-F292 HydrophobicContact CE2-CE2 4.46Å; F237-F292 HydrophobicContact CE2-CZ 4.37Å; F237-F292 HydrophobicContact CZ-CZ 4.28Å; Y266-F292 HydrophobicContact CE1-CB 4.4Å; F292-V294 WeakPolarHBondContact O-CG2 2.97Å; F292-I336 HydrophobicContact CB-CG2 3.94Å; F292-I336 HydrophobicContact CD1-CB 3.65Å; F292-I336 HydrophobicContact CD1-CD1 4.25Å; F292-I336 HydrophobicContact CD1-CG2 3.45Å; F292-I336 VanDerWaalsContact CD1-CG2 3.45Å; F292-I336 HydrophobicContact CE1-CB 4.04Å; F292-I336 HydrophobicContact CE1-CD1 4.21Å; F292-I336 HydrophobicContact CE1-CG2 4.29Å; F292-I336 HydrophobicContact CG-CG2 4.05Å; F292-I337 CarbonylContact C-O 3.58Å; F292-I337 VanDerWaalsContact CA-O 3.26Å; F292-I337 WeakPolarHBondContact CA-O 3.48Å; F292-T338 WeakPolarHBondContact CD1-OG1 3.1Å; F292-T338 VanDerWaalsContact CE1-OG1 3.29Å; F292-T338 WeakPolarHBondContact CE1-OG1 3.11Å |
| 293 | L | 67.7 | Low | 53.1 | Low | 10 Ų | 10 | 77.6 Ų | 77.6 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.4 | 176.7 | -167.7 | 64.7 | 0 | 0 | 0 | 109.8 | L232 T297 Y299 I337 | L232-L293 HydrophobicContact CD2-CD1 4.13Å; L293-T297 VanDerWaalsContact CD2-O 3.23Å; L293-T297 WeakPolarHBondContact CD2-O 3.41Å; L293-Y299 WeakPolarHBondContact CD1-O 3.4Å; L293-Y299 VanDerWaalsContact CD2-O 3.24Å; L293-Y299 WeakPolarHBondContact CD2-O 3.39Å; L293-I337 HydrophobicContact CB-CB 4.09Å; L293-I337 HydrophobicContact CB-CG2 4Å; L293-I337 HydrophobicContact CD2-CB 4.49Å; L293-I337 HydrophobicContact CD2-CG2 4.04Å; L293-I337 PolarHBondContact N-O 2.02Å |
| 294 | V | 64.2 | Low | 54.4 | Low | 8 Ų | 8 | 70.1 Ų | 70.1 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | trans | -113.7 | 88.7 | -168.6 | -173 | 0 | 0 | 0 | 0 | 109.8 | T231 Q252 Y266 V268 F292 | T231-V294 PolarHBondContact O-N 3.34Å; Q252-V294 VanDerWaalsContact CD-CG1 3.49Å; Q252-V294 HydrophobicContact CG-CG1 4.25Å; Q252-V294 VanDerWaalsContact NE2-C 3.32Å; Q252-V294 VanDerWaalsContact NE2-CG1 3.29Å; Q252-V294 PolarHBondContact NE2-O 3.07Å; Y266-V294 HydrophobicContact CD1-CB 4.37Å; Y266-V294 HydrophobicContact CD1-CG1 4.11Å; Y266-V294 HydrophobicContact CD1-CG2 3.47Å; Y266-V294 VanDerWaalsContact CD1-CG2 3.47Å; Y266-V294 HydrophobicContact CD2-CG1 4.33Å; Y266-V294 HydrophobicContact CE1-CG2 4.05Å; Y266-V294 HydrophobicContact CG-CG1 3.86Å; Y266-V294 HydrophobicContact CG-CG2 4.04Å; V268-V294 HydrophobicContact CG2-CB 4.16Å; V268-V294 HydrophobicContact CG2-CG1 3.75Å; V268-V294 HydrophobicContact CG2-CG2 4.2Å; F292-V294 WeakPolarHBondContact O-CG2 2.97Å | ||
| 295 | G | 58.5 | Low | 55.4 | Low | 34 Ų | 34 | 69 Ų | 69 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 152.7 | -174.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q252 T297 | Q252-G295 VanDerWaalsContact OE1-N 3.15Å; G295-T297 PolarHBondContact O-N 3.33Å |
| 296 | K | 50.1 | Low | 56.3 | Low | 138 Ų | 138 | 64 Ų | 64 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -68.8 | 7.5 | 174.8 | -69.5 | -179.6 | 174.8 | 175.8 | 0 | 113.7 | E2068 | K296-E2068 IonicContact NZ-OE1 2.82Å; K296-E2068 PolarHBondContact NZ-OE1 3.05Å; K296-E2068 IonicContact NZ-OE2 2.78Å; K296-E2068 PolarHBondContact NZ-OE2 3.47Å |
| 297 | T | 47.7 | Very low | 57.1 | Low | 60 Ų | 60 | 61.9 Ų | 61.9 | 37% | 0.368 | 31% | 0.311 | S | S | . | . | trans | -88.1 | 151.2 | 177.6 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | L293 G295 | L293-T297 VanDerWaalsContact CD2-O 3.23Å; L293-T297 WeakPolarHBondContact CD2-O 3.41Å; G295-T297 PolarHBondContact O-N 3.33Å | ||
| 298 | M | 51.9 | Low | 57.1 | Low | 111 Ų | 111 | 64.6 Ų | 64.6 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | trans | -117.4 | 10.1 | 176.2 | -61.9 | -167.5 | 85.7 | 0 | 0 | 114.1 | I337 | M298-I337 HydrophobicContact CB-CD1 3.8Å; M298-I337 HydrophobicContact CE-CD1 3.97Å; M298-I337 HydrophobicContact CG-CD1 4.05Å | ||
| 299 | Y | 53.6 | Low | 56.6 | Low | 178 Ų | 178 | 69 Ų | 69 | 70% | 0.698 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -123.1 | 132.7 | -173.5 | -48.9 | -76.3 | 0 | 0 | 0 | 109.8 | L293 | L293-Y299 WeakPolarHBondContact CD1-O 3.4Å; L293-Y299 VanDerWaalsContact CD2-O 3.24Å; L293-Y299 WeakPolarHBondContact CD2-O 3.39Å |
| 300 | C | 53.5 | Low | 55.3 | Low | 25 Ų | 25 | 76.3 Ų | 76.3 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 144.4 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | F304 C339 | C300-F304 HydrophobicContact CB-CB 4.15Å; C300-F304 VanDerWaalsContact CB-O 3.24Å; C300-F304 WeakPolarHBondContact CB-O 3.43Å; C300-C339 WeakPolarHBondContact CA-SG 3.39Å; C300-C339 HydrophobicContact CB-CB 3.65Å; C300-C339 WeakPolarHBondContact CB-SG 3.47Å; C300-C339 VanDerWaalsContact SG-CA 3.52Å; C300-C339 WeakPolarHBondContact SG-CB 3.31Å; C300-C339 CovalentContact SG-SG 2.03Å; C300-C339 PolarHBondContact SG-SG 2.88Å |
| 301 | P | 54.1 | Low | 53.7 | Low | 36 Ų | 36 | 78 Ų | 78 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 157 | 168.4 | -26.8 | 37 | 0 | 0 | 0 | 113 | T231 L232 F304 | T231-P301 WeakPolarHBondContact OG1-CG 3.42Å; L232-P301 HydrophobicContact CD1-CB 4.32Å; L232-P301 HydrophobicContact CD1-CG 3.84Å; L232-P301 HydrophobicContact CD2-CG 4.41Å; L232-P301 HydrophobicContact CG-CG 3.84Å; P301-F304 WeakPolarHBondContact O-CB 3.47Å; P301-F304 PolarHBondContact O-N 3.49Å; P301-F304 VanDerWaalsContact O-N 3.08Å |
| 302 | A | 49.9 | Very low | 51.5 | Low | 22 Ų | 22 | 82.2 Ų | 82.2 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 141.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P50 C124 F304 | P50-A302 HydrophobicContact CB-CB 3.82Å; P50-A302 HydrophobicContact CG-CB 4.12Å; C124-A302 HydrophobicContact CB-CB 3.55Å; A302-F304 VanDerWaalsContact C-N 3.28Å |
| 303 | G | 53.2 | Low | 49.2 | Very low | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -6.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V341 Q342 | G303-V341 WeakPolarHBondContact O-CA 3.29Å; G303-Q342 PolarHBondContact O-N 2.93Å |
| 304 | F | 62.3 | Low | 47.1 | Very low | 16 Ų | 16 | 91 Ų | 91 | 7% | 0.07 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.3 | 175.8 | -64.1 | -108.1 | 0 | 0 | 0 | 112 | L232 I274 F289 C300 P301 A302 C339 C340 V341 | L232-F304 HydrophobicContact CD1-CD1 3.77Å; L232-F304 HydrophobicContact CD1-CD2 3.64Å; L232-F304 HydrophobicContact CD1-CE1 3.69Å; L232-F304 HydrophobicContact CD1-CE2 3.58Å; L232-F304 HydrophobicContact CD1-CG 3.74Å; L232-F304 HydrophobicContact CD1-CZ 3.61Å; I274-F304 HydrophobicContact CG2-CE2 4.34Å; F289-F304 AromaticContact CE2-CE1 3.86Å; F289-F304 HydrophobicContact CE2-CE1 3.86Å; F289-F304 HydrophobicContact CE2-CZ 4.14Å; F289-F304 HydrophobicContact CZ-CE1 4.18Å; F289-F304 HydrophobicContact CZ-CZ 4.09Å; C300-F304 HydrophobicContact CB-CB 4.15Å; C300-F304 VanDerWaalsContact CB-O 3.24Å; C300-F304 WeakPolarHBondContact CB-O 3.43Å; P301-F304 WeakPolarHBondContact O-CB 3.47Å; P301-F304 PolarHBondContact O-N 3.49Å; P301-F304 VanDerWaalsContact O-N 3.08Å; A302-F304 VanDerWaalsContact C-N 3.28Å; F304-C339 HydrophobicContact CB-CB 4.03Å; F304-C339 HydrophobicContact CD1-CB 4.48Å; F304-C340 CarbonylContact C-O 3.45Å; F304-C340 WeakPolarHBondContact CA-O 2.92Å; F304-V341 HydrophobicContact CD1-CG2 3.83Å; F304-V341 HydrophobicContact CE1-CB 4.47Å; F304-V341 HydrophobicContact CE1-CG2 3.33Å; F304-V341 HydrophobicContact CE2-CG2 4.38Å; F304-V341 HydrophobicContact CZ-CG2 3.65Å |
| 305 | I | 59.6 | Low | 45 | Very low | 79 Ų | 79 | 94.4 Ų | 94.4 | 41% | 0.405 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 143 | 175.3 | 50.3 | 165.3 | 0 | 0 | 0 | 112.2 | T307 C339 C340 Q342 | I305-T307 PolarHBondContact O-N 2.99Å; I305-C339 CarbonylContact O-C 3.56Å; I305-C339 WeakPolarHBondContact O-CA 3.29Å; I305-C340 HydrophobicContact CG1-CB 4.45Å; I305-C340 WeakPolarHBondContact CG1-O 3.28Å; I305-C340 PolarHBondContact N-O 2.88Å; I305-C340 PolarHBondContact O-N 3.37Å; I305-Q342 HydrophobicContact CG1-CB 4.4Å; I305-Q342 HydrophobicContact CG2-CB 4.13Å; I305-Q342 HydrophobicContact CG2-CG 4.38Å |
| 306 | R | 57 | Low | 43.3 | Very low | 98 Ų | 98 | 102.2 Ų | 102.2 | 37% | 0.37 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.5 | 177.1 | -177.7 | 172.7 | 176.1 | -175.4 | -0.4 | 111.3 | I337 T338 | R306-I337 HydrophobicContact CG-CG2 4.02Å; R306-T338 CarbonylContact C-O 3.58Å; R306-T338 WeakPolarHBondContact CA-O 3.07Å |
| 307 | T | 54.8 | Low | 42.1 | Very low | 55 Ų | 55 | 99.7 Ų | 99.7 | 34% | 0.337 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 154.3 | 171.2 | 58 | 0 | 0 | 0 | 0 | 111.2 | I305 T338 C340 | I305-T307 PolarHBondContact O-N 2.99Å; T307-T338 PolarHBondContact N-O 2.89Å; T307-T338 WeakPolarHBondContact OG1-CB 3.35Å; T307-T338 WeakPolarHBondContact OG1-CG2 3.29Å; T307-C340 HydrophobicContact CG2-CB 4.26Å; T307-C340 VanDerWaalsContact CG2-SG 3.59Å; T307-C340 PolarHBondContact OG1-SG 2.7Å |
| 308 | R | 45.1 | Very low | 40.9 | Very low | 163 Ų | 163 | 98.1 Ų | 98.1 | 62% | 0.615 | 47% | 0.471 | S | S | * | . | trans | -125.5 | 135 | 177.2 | -68.3 | -172.5 | -177.9 | -169.5 | 1.5 | 109.9 | ||||
| 309 | R | 40.3 | Very low | 39.4 | Very low | 252 Ų | 252 | 100.6 Ų | 100.6 | 95% | 0.951 | 48% | 0.481 | S | S | * | . | trans | 61.2 | 100.8 | 179.6 | -65.2 | -178.9 | 171.7 | 169.7 | -2.6 | 115.3 | ||||
| 310 | F | 32.4 | Very low | 37.9 | Very low | 198 Ų | 198 | 99.2 Ų | 99.2 | 87% | 0.868 | 49% | 0.485 | S | S | * | . | trans | -103.2 | 135.7 | 154.8 | -150.2 | -96.4 | 0 | 0 | 0 | 107.8 | ||||
| 311 | Q | 27.8 | Very low | 36.3 | Very low | 101 Ų | 101 | 103 Ų | 103 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | trans | -136.4 | 110.2 | 178.3 | -143.4 | -167.6 | 18.1 | 0 | 0 | 109.3 | D331 | Q311-D331 PolarHBondContact NE2-OD1 2.81Š| ||
| 312 | P | 27.1 | Very low | 34.8 | Very low | 97 Ų | 97 | 104.6 Ų | 104.6 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | trans | -63.7 | 155.5 | -164.4 | 22.4 | -33.1 | 0 | 0 | 0 | 114.1 | R408 | P312-R408 PolarHBondContact O-NE 3.42Å; P312-R408 VanDerWaalsContact O-NE 3.09Å; P312-R408 PolarHBondContact O-NH2 2.04Å | ||
| 313 | S | 22.5 | Very low | 33.5 | Very low | 73 Ų | 73 | 109 Ų | 109 | 51% | 0.51 | 56% | 0.562 | S | S | . | * | trans | -129 | 99.1 | -175.1 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | R408 | S313-R408 VanDerWaalsContact CB-CG 3.45Š| ||
| 314 | L | 22.6 | Very low | 32.1 | Very low | 166 Ų | 166 | 116.4 Ų | 116.4 | 87% | 0.869 | 61% | 0.607 | S | S | * | * | trans | -83.2 | 112.5 | 173.1 | -72.8 | 164.7 | 0 | 0 | 0 | 109.7 | ||||
| 315 | E | 21.1 | Very low | 30.1 | Very low | 79 Ų | 79 | 119.8 Ų | 119.8 | 37% | 0.369 | 64% | 0.638 | S | S | . | * | trans | -149.5 | 72.7 | -177 | -66.6 | -174.1 | 90 | 0 | 0 | 112.2 | R408 R409 I410 | E315-R408 VanDerWaalsContact CD-C 3.5Å; E315-R408 WeakPolarHBondContact OE2-CA 3.37Å; E315-R408 PolarHBondContact OE2-N 3.26Å; E315-R409 WeakPolarHBondContact OE1-CA 3.24Å; E315-R409 PolarHBondContact OE1-N 3.23Å; E315-R409 PolarHBondContact OE2-N 2.79Å; E315-I410 PolarHBondContact OE1-N 2.83Å | ||
| 316 | F | 22.8 | Very low | 28.3 | Very low | 199 Ų | 199 | 128 Ų | 128 | 87% | 0.873 | 66% | 0.664 | S | S | * | * | trans | -157.8 | 116.2 | 152.1 | -150.6 | -83.3 | 0 | 0 | 0 | 114.4 | ||||
| 317 | I | 25.7 | Very low | 26.7 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 43% | 0.431 | 69% | 0.686 | S | S | . | * | trans | -176.5 | 165.6 | -159.6 | 23.8 | -174.7 | 0 | 0 | 0 | 110.3 | T411 V412 G413 | I317-T411 CarbonylContact C-O 3.51Å; I317-T411 VanDerWaalsContact CB-O 3.28Å; I317-T411 WeakPolarHBondContact CB-O 3.1Å; I317-T411 WeakPolarHBondContact CG1-O 3.38Å; I317-V412 VanDerWaalsContact CB-C 3.43Å; I317-G413 WeakPolarHBondContact CG2-O 3.22Å | ||
| 318 | G | 22.2 | Very low | 25.5 | Very low | 27 Ų | 27 | 136.4 Ų | 136.4 | 28% | 0.278 | 70% | 0.703 | S | S | . | * | trans | -178.4 | 105.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | T411 V412 G413 D414 | G318-T411 PolarHBondContact N-O 3.03Å; G318-V412 CarbonylContact C-O 3.59Å; G318-V412 WeakPolarHBondContact CA-O 3.07Å; G318-V412 PolarHBondContact N-O 2.86Å; G318-G413 PolarHBondContact N-O 2.64Å; G318-G413 CarbonylContact O-C 3.51Å; G318-D414 VanDerWaalsContact C-N 3.3Å; G318-D414 PolarHBondContact O-N 3.49Å | ||
| 319 | H | 20.5 | Very low | 24.6 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 71.3 | 103.6 | -159.8 | -62.2 | -103.5 | 0 | 0 | 0 | 117.7 | V412 G413 D414 | H319-V412 WeakPolarHBondContact CA-O 3.43Å; H319-V412 PolarHBondContact N-O 3.49Å; H319-G413 WeakPolarHBondContact O-CA 3.34Å; H319-D414 WeakPolarHBondContact O-CB 3.43Å |
| 320 | L | 20.7 | Very low | 23.9 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | -164.3 | 139.8 | 70.9 | -152.5 | -176.9 | 0 | 0 | 0 | 112 | V412 | L320-V412 WeakPolarHBondContact O-CG1 3.36Š| |||
| 321 | S | 20.8 | Very low | 23.7 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -77.9 | 141.6 | -161.7 | 52.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 322 | G | 22.7 | Very low | 23.9 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | trans | 155.6 | 101.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 323 | P | 23.4 | Very low | 24.2 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | trans | -133.6 | 105.4 | -178.4 | 37.1 | -19.4 | 0 | 0 | 0 | 116.2 | ||||
| 324 | T | 21.8 | Very low | 24.8 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 95% | 0.951 | 68% | 0.678 | S | S | * | * | trans | -169.1 | 95.8 | 147.8 | 18 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 325 | A | 22.3 | Very low | 25.6 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 68% | 0.675 | S | S | * | * | trans | -158.2 | 163.4 | 150 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 326 | W | 21.7 | Very low | 27 | Very low | 252 Ų | 252 | 124.6 Ų | 124.6 | 96% | 0.955 | 67% | 0.666 | S | S | * | * | trans | 59 | 67.8 | 172.3 | -61.6 | 91.2 | 0 | 0 | 0 | 117.2 | ||||
| 327 | R | 23 | Very low | 28.7 | Very low | 220 Ų | 220 | 116 Ų | 116 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | trans | -115.9 | 162.7 | 141.3 | -81.9 | -171.2 | -171.9 | 157.2 | 7.3 | 107.6 | ||||
| 328 | P | 28.9 | Very low | 30.6 | Very low | 109 Ų | 109 | 113 Ų | 113 | 71% | 0.708 | 62% | 0.615 | S | S | * | * | cis | -137.6 | 126.9 | -24.5 | 32.7 | -13.7 | 0 | 0 | 0 | 113.3 | ||||
| 329 | T | 26.8 | Very low | 32.8 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -124.7 | -4.2 | 179.2 | 33.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 330 | F | 25.5 | Very low | 35 | Very low | 170 Ų | 170 | 104.7 Ų | 104.7 | 75% | 0.746 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -102 | -17.6 | -169.3 | -101.3 | -84.7 | 0 | 0 | 0 | 117.5 | N332 | F330-N332 PolarHBondContact O-N 2.02Š|
| 331 | D | 28.7 | Very low | 37 | Very low | 129 Ų | 129 | 98.3 Ų | 98.3 | 69% | 0.69 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -9.8 | -171.8 | -91.4 | -33.8 | 0 | 0 | 0 | 114.5 | Q311 | Q311-D331 PolarHBondContact NE2-OD1 2.81Š|
| 332 | N | 31.7 | Very low | 38.6 | Very low | 127 Ų | 127 | 95.9 Ų | 95.9 | 68% | 0.679 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -1.6 | -174.9 | -76.4 | 15.8 | 0 | 0 | 0 | 115.6 | F330 | F330-N332 PolarHBondContact O-N 2.02Š|
| 333 | I | 32.8 | Very low | 39.8 | Very low | 67 Ų | 67 | 94.6 Ų | 94.6 | 34% | 0.344 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -85.7 | -25.5 | -163.8 | -80.2 | 177.1 | 0 | 0 | 0 | 115.1 | L256 | L256-I333 HydrophobicContact CD1-CG1 4.4Å; L256-I333 HydrophobicContact CD1-CG2 4.4Å; L256-I333 HydrophobicContact CD2-CG2 3.88Å; L256-I333 WeakPolarHBondContact CD2-O 3.36Å |
| 334 | L | 34.5 | Very low | 40.8 | Very low | 60 Ų | 60 | 95.9 Ų | 95.9 | 31% | 0.314 | 49% | 0.489 | S | S | . | . | trans | -144.6 | 100.5 | -169.6 | -94.7 | 161 | 0 | 0 | 0 | 114.1 | F237 V254 I336 | F237-L334 HydrophobicContact CE1-CD1 4.33Å; V254-L334 HydrophobicContact CB-CD2 4.46Å; V254-L334 HydrophobicContact CG1-CD2 3.86Å; V254-L334 HydrophobicContact CG2-CD2 4.35Å; L334-I336 HydrophobicContact CB-CD1 4.01Å; L334-I336 HydrophobicContact CB-CG1 3.69Å; L334-I336 HydrophobicContact CD1-CD1 4.19Å; L334-I336 HydrophobicContact CD2-CD1 3.91Å; L334-I336 HydrophobicContact CD2-CG1 3.79Å; L334-I336 HydrophobicContact CG-CD1 4.26Å; L334-I336 HydrophobicContact CG-CG1 4.25Å; L334-I336 PolarHBondContact O-N 3.47Å | ||
| 335 | Q | 40.5 | Very low | 41.7 | Very low | 173 Ų | 173 | 90.5 Ų | 90.5 | 81% | 0.808 | 45% | 0.453 | S | S | * | . | trans | -77.9 | 55 | 171.2 | -65.6 | -163.3 | 30.2 | 0 | 0 | 112.9 | E257 | E257-Q335 PolarHBondContact OE1-NE2 3.14Š| ||
| 336 | I | 50.4 | Low | 42.6 | Very low | 36 Ų | 36 | 88.7 Ų | 88.7 | 19% | 0.185 | 43% | 0.427 | C | S | . | . | trans | -73.3 | 136.9 | -173.6 | -24.6 | -174.9 | 0 | 0 | 0 | 112 | P235 F237 Y266 F292 L334 T338 | P235-I336 HydrophobicContact CG-CD1 3.58Å; F237-I336 HydrophobicContact CE1-CD1 3.92Å; F237-I336 HydrophobicContact CZ-CD1 3.79Å; Y266-I336 HydrophobicContact CE1-CG2 4.49Å; F292-I336 HydrophobicContact CB-CG2 3.94Å; F292-I336 HydrophobicContact CD1-CB 3.65Å; F292-I336 HydrophobicContact CD1-CD1 4.25Å; F292-I336 HydrophobicContact CD1-CG2 3.45Å; F292-I336 VanDerWaalsContact CD1-CG2 3.45Å; F292-I336 HydrophobicContact CE1-CB 4.04Å; F292-I336 HydrophobicContact CE1-CD1 4.21Å; F292-I336 HydrophobicContact CE1-CG2 4.29Å; F292-I336 HydrophobicContact CG-CG2 4.05Å; L334-I336 HydrophobicContact CB-CD1 4.01Å; L334-I336 HydrophobicContact CB-CG1 3.69Å; L334-I336 HydrophobicContact CD1-CD1 4.19Å; L334-I336 HydrophobicContact CD2-CD1 3.91Å; L334-I336 HydrophobicContact CD2-CG1 3.79Å; L334-I336 HydrophobicContact CG-CD1 4.26Å; L334-I336 HydrophobicContact CG-CG1 4.25Å; L334-I336 PolarHBondContact O-N 3.47Å; I336-T338 PolarHBondContact O-N 3.31Å | ||
| 337 | I | 58.5 | Low | 43.4 | Very low | 19 Ų | 19 | 81 Ų | 81 | 10% | 0.097 | 41% | 0.409 | C | S | . | . | trans | -83.3 | 114.2 | 176.2 | -65.1 | 178.3 | 0 | 0 | 0 | 108.8 | F292 L293 M298 R306 | F292-I337 CarbonylContact C-O 3.58Å; F292-I337 VanDerWaalsContact CA-O 3.26Å; F292-I337 WeakPolarHBondContact CA-O 3.48Å; L293-I337 HydrophobicContact CB-CB 4.09Å; L293-I337 HydrophobicContact CB-CG2 4Å; L293-I337 HydrophobicContact CD2-CB 4.49Å; L293-I337 HydrophobicContact CD2-CG2 4.04Å; L293-I337 PolarHBondContact N-O 2.02Å; M298-I337 HydrophobicContact CB-CD1 3.8Å; M298-I337 HydrophobicContact CE-CD1 3.97Å; M298-I337 HydrophobicContact CG-CD1 4.05Å; R306-I337 HydrophobicContact CG-CG2 4.02Å | ||
| 338 | T | 65.9 | Low | 43.9 | Very low | 21 Ų | 21 | 77.5 Ų | 77.5 | 13% | 0.129 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.7 | 175.6 | -51.3 | 0 | 0 | 0 | 0 | 110 | C290 F292 R306 T307 I336 | C290-T338 HydrophobicContact CB-CG2 3.78Å; F292-T338 WeakPolarHBondContact CD1-OG1 3.1Å; F292-T338 VanDerWaalsContact CE1-OG1 3.29Å; F292-T338 WeakPolarHBondContact CE1-OG1 3.11Å; R306-T338 CarbonylContact C-O 3.58Å; R306-T338 WeakPolarHBondContact CA-O 3.07Å; T307-T338 PolarHBondContact N-O 2.89Å; T307-T338 WeakPolarHBondContact OG1-CB 3.35Å; T307-T338 WeakPolarHBondContact OG1-CG2 3.29Å; I336-T338 PolarHBondContact O-N 3.31Å |
| 339 | C | 68.4 | Low | 44.2 | Very low | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 116.7 | -177.8 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | L232 C290 L291 C300 F304 I305 | L232-C339 HydrophobicContact CD2-CB 3.59Å; C290-C339 CarbonylContact C-O 3.58Å; C290-C339 WeakPolarHBondContact CA-O 3.38Å; L291-C339 PolarHBondContact N-O 3.47Å; L291-C339 CarbonylContact O-C 2.93Å; L291-C339 WeakPolarHBondContact O-CA 3.06Å; L291-C339 VanDerWaalsContact O-CB 3.28Å; L291-C339 WeakPolarHBondContact O-CB 3.45Å; L291-C339 PolarHBondContact O-N 2.88Å; C300-C339 WeakPolarHBondContact CA-SG 3.39Å; C300-C339 HydrophobicContact CB-CB 3.65Å; C300-C339 WeakPolarHBondContact CB-SG 3.47Å; C300-C339 VanDerWaalsContact SG-CA 3.52Å; C300-C339 WeakPolarHBondContact SG-CB 3.31Å; C300-C339 CovalentContact SG-SG 2.03Å; C300-C339 PolarHBondContact SG-SG 2.88Å; F304-C339 HydrophobicContact CB-CB 4.03Å; F304-C339 HydrophobicContact CD1-CB 4.48Å; I305-C339 CarbonylContact O-C 3.56Å; I305-C339 WeakPolarHBondContact O-CA 3.29Å |
| 340 | C | 66.9 | Low | 44.7 | Very low | 14 Ų | 14 | 75.2 Ų | 75.2 | 10% | 0.095 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.6 | -174.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | F289 C290 F304 I305 T307 Q342 | F289-C340 WeakPolarHBondContact O-CA 3.42Å; C290-C340 HydrophobicContact CB-CB 4.04Å; C290-C340 WeakPolarHBondContact CB-SG 3.2Å; C290-C340 WeakPolarHBondContact SG-CB 3.18Å; C290-C340 CovalentContact SG-SG 2.04Å; C290-C340 PolarHBondContact SG-SG 3.46Å; F304-C340 CarbonylContact C-O 3.45Å; F304-C340 WeakPolarHBondContact CA-O 2.92Å; I305-C340 HydrophobicContact CG1-CB 4.45Å; I305-C340 WeakPolarHBondContact CG1-O 3.28Å; I305-C340 PolarHBondContact N-O 2.88Å; I305-C340 PolarHBondContact O-N 3.37Å; T307-C340 HydrophobicContact CG2-CB 4.26Å; T307-C340 VanDerWaalsContact CG2-SG 3.59Å; T307-C340 PolarHBondContact OG1-SG 2.7Å; C340-Q342 PolarHBondContact O-N 3Å |
| 341 | V | 62.2 | Low | 45.6 | Very low | 15 Ų | 15 | 75.7 Ų | 75.7 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 125.8 | 175.1 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | F289 G303 F304 P343 | F289-V341 HydrophobicContact CD1-CG2 3.84Å; F289-V341 HydrophobicContact CD2-CG2 4.37Å; F289-V341 HydrophobicContact CE1-CG2 3.54Å; F289-V341 HydrophobicContact CE2-CG2 4.1Å; F289-V341 HydrophobicContact CG-CG2 4.25Å; F289-V341 HydrophobicContact CZ-CG2 3.68Å; F289-V341 PolarHBondContact O-N 3.35Å; G303-V341 WeakPolarHBondContact O-CA 3.29Å; F304-V341 HydrophobicContact CD1-CG2 3.83Å; F304-V341 HydrophobicContact CE1-CB 4.47Å; F304-V341 HydrophobicContact CE1-CG2 3.33Å; F304-V341 HydrophobicContact CE2-CG2 4.38Å; F304-V341 HydrophobicContact CZ-CG2 3.65Å; V341-P343 WeakPolarHBondContact O-CD 3.48Å |
| 342 | Q | 54.8 | Low | 46.7 | Very low | 53 Ų | 53 | 74.5 Ų | 74.5 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | trans | -82.2 | 114.3 | 173.4 | -173.1 | 173.7 | -3 | 0 | 0 | 109.2 | G303 I305 C340 E344 F345 | G303-Q342 PolarHBondContact O-N 2.93Å; I305-Q342 HydrophobicContact CG1-CB 4.4Å; I305-Q342 HydrophobicContact CG2-CB 4.13Å; I305-Q342 HydrophobicContact CG2-CG 4.38Å; C340-Q342 PolarHBondContact O-N 3Å; Q342-E344 VanDerWaalsContact C-N 3.3Å; Q342-E344 WeakPolarHBondContact CG-OE2 3.26Å; Q342-E344 PolarHBondContact NE2-OE2 2.57Å; Q342-E344 PolarHBondContact O-N 3.07Å; Q342-F345 HydrophobicContact CB-CB 4.34Å; Q342-F345 PolarHBondContact O-N 2.82Å | ||
| 343 | P | 46.4 | Very low | 47.8 | Very low | 45 Ų | 45 | 71.6 Ų | 71.6 | 29% | 0.292 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -64.8 | -33.5 | -170.6 | -23.5 | 34.9 | 0 | 0 | 0 | 114 | Q288 V341 F345 | Q288-P343 HydrophobicContact CG-CG 3.78Å; V341-P343 WeakPolarHBondContact O-CD 3.48Å; P343-F345 VanDerWaalsContact C-N 3.27Å; P343-F345 PolarHBondContact O-N 3.32Å |
| 344 | E | 45.5 | Very low | 49.6 | Very low | 142 Ų | 142 | 71.9 Ų | 71.9 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -68.1 | -26.6 | -176.1 | -59.1 | 145.8 | 154.8 | 0 | 0 | 112.7 | Q342 W346 T347 | Q342-E344 VanDerWaalsContact C-N 3.3Å; Q342-E344 WeakPolarHBondContact CG-OE2 3.26Å; Q342-E344 PolarHBondContact NE2-OE2 2.57Å; Q342-E344 PolarHBondContact O-N 3.07Å; E344-W346 PolarHBondContact O-N 3.21Å; E344-T347 PolarHBondContact O-OG1 3.02Å |
| 345 | F | 40.3 | Very low | 51.5 | Low | 42 Ų | 42 | 69.5 Ų | 69.5 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -70.2 | -22.8 | -175.2 | -165 | -85.1 | 0 | 0 | 0 | 112.1 | P50 E126 Q342 P343 | P50-F345 HydrophobicContact CB-CE2 3.61Å; P50-F345 HydrophobicContact CB-CZ 3.68Å; P50-F345 HydrophobicContact CG-CD2 4.38Å; P50-F345 HydrophobicContact CG-CE2 3.69Å; P50-F345 HydrophobicContact CG-CZ 4.11Å; E126-F345 VanDerWaalsContact OE2-CE1 3.23Å; E126-F345 WeakPolarHBondContact OE2-CE1 3.23Å; Q342-F345 HydrophobicContact CB-CB 4.34Å; Q342-F345 PolarHBondContact O-N 2.82Å; P343-F345 VanDerWaalsContact C-N 3.27Å; P343-F345 PolarHBondContact O-N 3.32Å |
| 346 | W | 41.1 | Very low | 53.2 | Low | 48 Ų | 48 | 62.7 Ų | 62.7 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -113.3 | -3.1 | -166.5 | -62.1 | 106.2 | 0 | 0 | 0 | 115.2 | E126 H278 E344 N348 | E126-W346 HydrophobicContact CB-CH2 3.91Å; E126-W346 HydrophobicContact CB-CZ3 4.43Å; E126-W346 HydrophobicContact CG-CH2 3.76Å; E126-W346 HydrophobicContact CG-CZ3 3.77Å; E126-W346 WeakPolarHBondContact OE1-CZ3 3.34Å; H278-W346 HydrophobicContact CB-CZ3 4.39Å; H278-W346 AromaticContact CE1-CD2 3.51Å; H278-W346 AromaticContact CE1-CE2 3.06Å; H278-W346 AromaticContact CE1-CE3 3.94Å; H278-W346 AromaticContact CE1-CH2 3.59Å; H278-W346 AromaticContact CE1-CZ2 3.12Å; H278-W346 WeakPolarHBondContact CE1-CZ2 3.08Å; H278-W346 AromaticContact CE1-CZ3 3.98Å; H278-W346 AromaticContact CE1-NE1 3.49Å; H278-W346 PolarHBondContact CE1-NE1 2.91Å; H278-W346 AromaticContact CG-CH2 3.92Å; H278-W346 AromaticContact CG-CZ3 3.83Å; H278-W346 AromaticContact ND1-CD2 3.26Å; H278-W346 VanDerWaalsContact ND1-CD2 3.26Å; H278-W346 AromaticContact ND1-CE2 3.36Å; H278-W346 AromaticContact ND1-CE3 3.35Å; H278-W346 VanDerWaalsContact ND1-CE3 3.35Å; H278-W346 AromaticContact ND1-CG 3.93Å; H278-W346 AromaticContact ND1-CH2 3.61Å; H278-W346 AromaticContact ND1-CZ2 3.55Å; H278-W346 AromaticContact ND1-CZ3 3.52Å; H278-W346 AromaticContact NE2-CE2 3.97Å; H278-W346 AromaticContact NE2-CH2 3.85Å; H278-W346 AromaticContact NE2-CZ2 3.57Å; E344-W346 PolarHBondContact O-N 3.21Å; W346-N348 VanDerWaalsContact C-N 3.31Å; W346-N348 PolarHBondContact O-N 3.09Å |
| 347 | T | 39.2 | Very low | 54.4 | Low | 91 Ų | 91 | 61.3 Ų | 61.3 | 56% | 0.558 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.3 | -175.4 | 41.2 | 0 | 0 | 0 | 0 | 115.4 | E344 | E344-T347 PolarHBondContact O-OG1 3.02Š|
| 348 | N | 32.9 | Very low | 55 | Low | 147 Ų | 147 | 63.1 Ų | 63.1 | 79% | 0.786 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 11.9 | -177.1 | -79.8 | -0.4 | 0 | 0 | 0 | 114.7 | W346 T350 | W346-N348 VanDerWaalsContact C-N 3.31Å; W346-N348 PolarHBondContact O-N 3.09Å; N348-T350 VanDerWaalsContact C-N 3.25Å; N348-T350 PolarHBondContact O-N 3.43Å |
| 349 | S | 35.3 | Very low | 54.9 | Low | 65 Ų | 65 | 67.2 Ų | 67.2 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | trans | -77.4 | 68 | -179.1 | -160.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 350 | T | 38.2 | Very low | 54.4 | Low | 115 Ų | 115 | 69 Ų | 69 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | trans | -66.9 | 127.5 | 155.7 | 52.2 | 0 | 0 | 0 | 0 | 108 | N348 T352 | N348-T350 VanDerWaalsContact C-N 3.25Å; N348-T350 PolarHBondContact O-N 3.43Å; T350-T352 PolarHBondContact O-N 3.03Å | ||
| 351 | R | 44.4 | Very low | 53.4 | Low | 180 Ų | 180 | 73 Ų | 73 | 68% | 0.679 | 39% | 0.387 | S | S | * | . | trans | -49 | 110.6 | 176.4 | -80.9 | -174 | 175.8 | 176.6 | -0.9 | 109.7 | E175 | E175-R351 IonicContact OE1-CZ 2.75Å; E175-R351 IonicContact OE1-NH1 2.73Å; E175-R351 PolarHBondContact OE1-NH1 3.07Å; E175-R351 IonicContact OE1-NH2 3.92Å | ||
| 352 | T | 51 | Low | 52 | Low | 104 Ų | 104 | 81.9 Ų | 81.9 | 64% | 0.638 | 43% | 0.428 | S | S | * | . | trans | -70.6 | 140.1 | 177.9 | 40 | 0 | 0 | 0 | 0 | 109.7 | T350 Y354 | T350-T352 PolarHBondContact O-N 3.03Å; T352-Y354 PolarHBondContact O-N 3.25Å | ||
| 353 | P | 55 | Low | 50.6 | Low | 67 Ų | 67 | 90.3 Ų | 90.3 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | trans | -68.3 | 127.2 | 179 | 28.3 | -34.2 | 0 | 0 | 0 | 109.9 | L171 Q172 Y173 | L171-P353 HydrophobicContact CD1-CB 4.13Å; L171-P353 HydrophobicContact CD2-CB 4.37Å; L171-P353 HydrophobicContact CG-CB 4.19Å; Q172-P353 VanDerWaalsContact O-CA 3.23Å; Q172-P353 WeakPolarHBondContact O-CA 3.01Å; Y173-P353 HydrophobicContact CD1-CB 3.64Å; Y173-P353 HydrophobicContact CD1-CG 4.19Å; Y173-P353 HydrophobicContact CE1-CB 4.12Å; Y173-P353 HydrophobicContact CE1-CG 4.41Å; Y173-P353 HydrophobicContact CG-CB 4.2Å | ||
| 354 | Y | 71.2 | Confident | 49.6 | Very low | 72 Ų | 72 | 98.1 Ų | 98.1 | 28% | 0.282 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.5 | -175.6 | 60.8 | -97.2 | 0 | 0 | 0 | 112.2 | N139 L171 Q172 T352 | N139-Y354 HydrophobicContact CB-CD1 4.11Å; N139-Y354 HydrophobicContact CB-CD2 3.88Å; N139-Y354 HydrophobicContact CB-CE1 4.27Å; N139-Y354 HydrophobicContact CB-CE2 4.07Å; N139-Y354 HydrophobicContact CB-CG 3.91Å; L171-Y354 WeakPolarHBondContact CA-O 3.47Å; Q172-Y354 HydrophobicContact CB-CD2 4.36Å; Q172-Y354 HydrophobicContact CB-CE1 4.44Å; Q172-Y354 HydrophobicContact CB-CE2 3.89Å; Q172-Y354 HydrophobicContact CG-CE2 4.15Å; Q172-Y354 PolarHBondContact N-O 2.03Å; Q172-Y354 PolarHBondContact O-N 2.96Å; Q172-Y354 VanDerWaalsContact O-N 3.12Å; Q172-Y354 VanDerWaalsContact OE1-CE2 3.28Å; Q172-Y354 VanDerWaalsContact OE1-CZ 3.26Å; Q172-Y354 PolarHBondContact OE1-OH 3.05Å; T352-Y354 PolarHBondContact O-N 3.25Å |
| 355 | I | 73.5 | Confident | 48.6 | Very low | 10 Ų | 10 | 94.5 Ų | 94.5 | 5% | 0.051 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119.4 | 174.6 | -62.1 | 174.1 | 0 | 0 | 0 | 109 | Y169 L171 L181 L188 F191 R195 | Y169-I355 HydrophobicContact CD1-CG2 4.22Å; L171-I355 HydrophobicContact CD1-CG1 3.58Å; L181-I355 HydrophobicContact CD1-CD1 3.97Å; L181-I355 HydrophobicContact CD1-CG1 4.13Å; L188-I355 HydrophobicContact CD2-CD1 3.96Å; L188-I355 HydrophobicContact CD2-CG2 4.16Å; L188-I355 HydrophobicContact CG-CD1 4.37Å; F191-I355 HydrophobicContact CB-CD1 4.02Å; F191-I355 HydrophobicContact CD1-CB 4.06Å; F191-I355 HydrophobicContact CD1-CD1 4.18Å; F191-I355 HydrophobicContact CD1-CG2 3.81Å; F191-I355 HydrophobicContact CD2-CB 4.19Å; F191-I355 HydrophobicContact CD2-CD1 4.08Å; F191-I355 HydrophobicContact CE1-CB 3.76Å; F191-I355 HydrophobicContact CE1-CG2 3.54Å; F191-I355 HydrophobicContact CE2-CB 3.92Å; F191-I355 HydrophobicContact CG-CB 4.27Å; F191-I355 HydrophobicContact CG-CD1 3.84Å; F191-I355 HydrophobicContact CG-CG2 4.45Å; F191-I355 HydrophobicContact CZ-CB 3.71Å; F191-I355 HydrophobicContact CZ-CG2 4Å; F191-I355 WeakPolarHBondContact CZ-O 3.37Å; R195-I355 PolarHBondContact NE-O 3.33Å |
| 356 | S | 75.3 | Confident | 47.7 | Very low | 30 Ų | 30 | 100 Ų | 100 | 21% | 0.21 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 154.1 | 162.1 | -177 | 0 | 0 | 0 | 0 | 110.2 | R170 | R170-S356 PolarHBondContact N-O 3.48Å; R170-S356 PolarHBondContact O-N 3.32Å |
| 357 | I | 75.7 | Confident | 46.7 | Very low | 7 Ų | 7 | 108 Ų | 108 | 4% | 0.036 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.5 | 127 | 178.7 | -44.3 | 179.6 | 0 | 0 | 0 | 108.6 | W154 Y167 R168 Y169 F191 R195 P197 | W154-I357 HydrophobicContact CD2-CD1 3.47Å; W154-I357 VanDerWaalsContact CD2-CD1 3.47Å; W154-I357 HydrophobicContact CE3-CD1 3.72Å; W154-I357 HydrophobicContact CG-CD1 3.93Å; W154-I357 HydrophobicContact CH2-CD1 4.08Å; W154-I357 HydrophobicContact CZ2-CD1 3.85Å; W154-I357 HydrophobicContact CZ3-CD1 4.02Å; Y167-I357 HydrophobicContact CD1-CG2 3.76Å; Y167-I357 HydrophobicContact CG-CG2 3.9Å; R168-I357 WeakPolarHBondContact O-CA 2.99Å; Y169-I357 HydrophobicContact CD1-CG1 4.03Å; Y169-I357 HydrophobicContact CD1-CG2 4.15Å; Y169-I357 HydrophobicContact CE1-CD1 4.15Å; Y169-I357 HydrophobicContact CE1-CG1 4.13Å; Y169-I357 HydrophobicContact CE1-CG2 3.97Å; F191-I357 HydrophobicContact CE1-CD1 3.9Å; F191-I357 HydrophobicContact CE1-CG1 4.05Å; R195-I357 HydrophobicContact CB-CD1 3.9Å; R195-I357 HydrophobicContact CB-CG1 4.37Å; R195-I357 HydrophobicContact CG-CD1 3.84Å; R195-I357 HydrophobicContact CG-CG1 4.12Å; P197-I357 WeakPolarHBondContact CA-O 3.12Å; P197-I357 HydrophobicContact CB-CB 3.89Å; P197-I357 HydrophobicContact CB-CG2 3.82Å; P197-I357 WeakPolarHBondContact CB-O 3.46Å; P197-I357 HydrophobicContact CG-CB 3.87Å; P197-I357 HydrophobicContact CG-CD1 4.22Å; P197-I357 HydrophobicContact CG-CG2 3.88Å |
| 358 | E | 71.5 | Confident | 45.8 | Very low | 58 Ų | 58 | 109 Ų | 109 | 27% | 0.271 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.4 | -179.5 | -69 | 166.2 | -156.7 | 0 | 0 | 109.7 | Y167 R168 R170 | Y167-E358 CarbonylContact C-O 3.53Å; Y167-E358 VanDerWaalsContact CA-O 3.3Å; Y167-E358 WeakPolarHBondContact CA-O 3.28Å; R168-E358 HydrophobicContact CB-CB 4.28Å; R168-E358 PolarHBondContact N-O 2.84Å; R168-E358 PolarHBondContact O-N 2.84Å; R170-E358 WeakPolarHBondContact CD-OE1 3.34Å; R170-E358 IonicContact CZ-OE1 3.33Å; R170-E358 IonicContact NE-OE1 2.04Å; R170-E358 IonicContact NH1-OE1 3.91Å; R170-E358 PolarHBondContact NH1-OE1 2.91Å; R170-E358 IonicContact NH1-OE2 3.86Å; R170-E358 PolarHBondContact NH1-OE2 2.76Å |
| 359 | K | 65.2 | Low | 45.3 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 47% | 0.465 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 126.8 | 175.9 | -178.3 | -179.1 | 173.2 | -171.8 | 0 | 110 | P165 Y167 V200 | P165-K359 HydrophobicContact CB-CG 4.46Å; Y167-K359 HydrophobicContact CD1-CB 4.26Å; Y167-K359 HydrophobicContact CE1-CB 4.14Å; Y167-K359 HydrophobicContact CE1-CG 4.37Å; V200-K359 HydrophobicContact CG2-CD 3.91Å |
| 360 | V | 56.8 | Low | 44.5 | Very low | 38 Ų | 38 | 108.8 Ų | 108.8 | 23% | 0.23 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -90 | 121.1 | -179.6 | -174 | 0 | 0 | 0 | 0 | 110.1 | I166 R168 | I166-V360 HydrophobicContact CB-CB 4.25Å; I166-V360 HydrophobicContact CG2-CB 4.34Å; I166-V360 HydrophobicContact CG2-CG2 4.16Å; I166-V360 WeakPolarHBondContact O-CB 3.46Å; I166-V360 WeakPolarHBondContact O-CG2 3.31Å; I166-V360 PolarHBondContact O-N 3.32Å; R168-V360 HydrophobicContact CB-CG2 4.17Å; R168-V360 HydrophobicContact CG-CG2 3.61Å |
| 361 | S | 45.7 | Very low | 43.6 | Very low | 96 Ų | 96 | 109.4 Ų | 109.4 | 67% | 0.671 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 150.6 | 166.9 | 47.9 | 0 | 0 | 0 | 0 | 110.9 | Y363 | S361-Y363 PolarHBondContact O-N 3.46Š|
| 362 | Q | 32.4 | Very low | 42.4 | Very low | 202 Ų | 202 | 105.8 Ų | 105.8 | 94% | 0.944 | 57% | 0.574 | S | S | * | * | trans | -68.4 | 114.7 | -176.1 | -70.7 | 176.6 | -26.4 | 0 | 0 | 111.2 | ||||
| 363 | Y | 25.9 | Very low | 41 | Very low | 230 Ų | 230 | 106.9 Ų | 106.9 | 90% | 0.902 | 58% | 0.576 | S | S | * | * | trans | -117.7 | 151.7 | 163.6 | -114.9 | -94.8 | 0 | 0 | 0 | 109.8 | S361 | S361-Y363 PolarHBondContact O-N 3.46Š| ||
| 364 | K | 25.3 | Very low | 39.4 | Very low | 210 Ų | 210 | 108.8 Ų | 108.8 | 91% | 0.913 | 58% | 0.583 | S | S | * | * | trans | -99.7 | 143.5 | -163.8 | -156.2 | -178.9 | -170.8 | -179.4 | 0 | 111.8 | ||||
| 365 | G | 25.5 | Very low | 37 | Very low | 65 Ų | 65 | 111.2 Ų | 111.2 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | trans | 106.5 | 101.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 366 | D | 21.8 | Very low | 34.6 | Very low | 157 Ų | 157 | 117.2 Ų | 117.2 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | trans | -69.8 | 128.1 | 165.3 | -61.1 | -77.9 | 0 | 0 | 0 | 111.2 | ||||
| 367 | Y | 20 | Very low | 32 | Very low | 218 Ų | 218 | 122.9 Ų | 122.9 | 86% | 0.855 | 66% | 0.661 | S | S | * | * | trans | -116.5 | 81 | 161.5 | -97.6 | -80 | 0 | 0 | 0 | 109.8 | ||||
| 368 | S | 20.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | -94.5 | 86.9 | 172.4 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 369 | T | 21.1 | Very low | 27.1 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | -138 | 135.8 | 175.5 | 42.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 370 | S | 18.9 | Very low | 25.1 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | 53.5 | 88.3 | 153.8 | 59.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 371 | T | 19.5 | Very low | 23.4 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | 20.1 | 141.5 | 116.2 | 54.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 372 | S | 19.5 | Very low | 22.2 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 81.5 | 156 | 154.6 | 89.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 373 | N | 21 | Very low | 21.7 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | cis | -148.3 | 159.1 | 11.3 | -145.3 | -9.5 | 0 | 0 | 0 | 114.2 | ||||
| 374 | N | 21.6 | Very low | 21.5 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 57% | 0.572 | 77% | 0.772 | S | S | * | * | trans | 52.8 | 115.1 | 157.4 | -69.7 | -39.1 | 0 | 0 | 0 | 121.1 | ||||
| 375 | N | 21.1 | Very low | 21.3 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | 34 | 125.1 | 98.4 | -48.9 | -32.6 | 0 | 0 | 0 | 115.9 | |||||
| 376 | N | 22.1 | Very low | 21.1 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | -162.8 | 131.8 | 74.6 | -94.7 | -59.9 | 0 | 0 | 0 | 114.6 | |||||
| 377 | N | 20.9 | Very low | 21.2 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | 33.6 | 109.8 | 124.5 | -57.9 | -14.5 | 0 | 0 | 0 | 119.4 | |||||
| 378 | G | 21.5 | Very low | 21.2 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | 102 | 120.8 | 113.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 379 | K | 23.5 | Very low | 21.2 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | -163 | 118.1 | 117.1 | -105.8 | 162.3 | -174.2 | 177.5 | 0 | 111.1 | |||||
| 380 | E | 22.2 | Very low | 21.2 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | trans | -75.8 | 139.8 | 156.1 | -61 | 168 | 125 | 0 | 0 | 108.3 | ||||
| 381 | A | 21 | Very low | 21.3 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -158.4 | 124.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 382 | Q | 21.7 | Very low | 21.4 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -91.8 | -177.3 | 171.9 | -64.9 | 175.6 | -61.7 | 0 | 0 | 110.2 | ||||
| 383 | E | 21.3 | Very low | 21.8 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 62% | 0.621 | 76% | 0.758 | S | S | * | * | trans | 67.2 | 90.2 | 166.7 | -52.5 | -148.8 | 92.7 | 0 | 0 | 117.4 | R385 | E383-R385 IonicContact OE1-CZ 2.96Å; E383-R385 IonicContact OE1-NE 3.99Å; E383-R385 PolarHBondContact OE1-NE 2.88Å; E383-R385 IonicContact OE1-NH2 3.8Å; E383-R385 PolarHBondContact OE1-NH2 3.05Å; E383-R385 IonicContact OE2-NH2 2.64Å; E383-R385 PolarHBondContact OE2-NH2 2.75Å | ||
| 384 | L | 23.1 | Very low | 21.8 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | trans | -115.9 | 125.2 | 134.7 | -110.6 | 167 | 0 | 0 | 0 | 107.9 | ||||
| 385 | R | 19.6 | Very low | 21.8 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -100.7 | 161 | -173.6 | -64.1 | -175.8 | -178.9 | -171.5 | 3.5 | 111.2 | E383 | E383-R385 IonicContact OE1-CZ 2.96Å; E383-R385 IonicContact OE1-NE 3.99Å; E383-R385 PolarHBondContact OE1-NE 2.88Å; E383-R385 IonicContact OE1-NH2 3.8Å; E383-R385 PolarHBondContact OE1-NH2 3.05Å; E383-R385 IonicContact OE2-NH2 2.64Å; E383-R385 PolarHBondContact OE2-NH2 2.75Å | ||
| 386 | N | 21.7 | Very low | 21.8 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | 35.8 | 117 | 150.9 | -54.5 | 12.4 | 0 | 0 | 0 | 118.9 | ||||
| 387 | I | 24 | Very low | 21.8 | Very low | 166 Ų | 166 | 145 Ų | 145 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | -143.6 | 93.9 | 125.6 | -89.9 | 132.1 | 0 | 0 | 0 | 107.7 | |||||
| 388 | D | 19.6 | Very low | 21.7 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | 17.7 | 165.2 | 120.4 | -72.3 | -70.8 | 0 | 0 | 0 | 123.4 | |||||
| 389 | T | 20.6 | Very low | 21.7 | Very low | 113 Ų | 113 | 151 Ų | 151 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | trans | 70.7 | 93.7 | 153.4 | 44.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 390 | T | 20.6 | Very low | 21.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 87.5 | 90.1 | 74 | 57.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 391 | I | 22.5 | Very low | 21.3 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 89% | 0.892 | 77% | 0.769 | S | S | * | * | trans | -133.7 | 115.8 | 146 | -64.1 | -174.9 | 0 | 0 | 0 | 108.7 | ||||
| 392 | S | 20.1 | Very low | 21.2 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -108.9 | -178.3 | 156.1 | 65 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 393 | P | 27.5 | Very low | 21 | Very low | 106 Ų | 106 | 154 Ų | 154 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -130.5 | 153.6 | -4.8 | 38.8 | -23.8 | 0 | 0 | 0 | 114.3 | ||||
| 394 | F | 21.8 | Very low | 21 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -159.5 | 128.2 | 137.8 | -107.7 | -70.4 | 0 | 0 | 0 | 110.4 | ||||
| 395 | T | 22 | Very low | 20.8 | Very low | 110 Ų | 110 | 153.6 Ų | 153.6 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -2.1 | 121.9 | 160.9 | 54 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 396 | N | 21 | Very low | 20.9 | Very low | 133 Ų | 133 | 150 Ų | 150 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | 79.5 | 147.4 | 65 | -88.8 | 40.3 | 0 | 0 | 0 | 114.8 | |||||
| 397 | E | 20.9 | Very low | 20.7 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | 67.9 | 82.2 | 157.1 | -73.4 | 139.4 | -120.2 | 0 | 0 | 116 | ||||
| 398 | D | 20.6 | Very low | 20.4 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | -2.2 | 131.3 | 115.8 | -44.9 | -88.4 | 0 | 0 | 0 | 116 | |||||
| 399 | E | 20.4 | Very low | 20.4 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | trans | -150.9 | 154.9 | 133 | -95.3 | -129.6 | 147.9 | 0 | 0 | 111.5 | ||||
| 400 | D | 19.4 | Very low | 20.3 | Very low | 122 Ų | 122 | 154 Ų | 154 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | trans | -79.2 | 154.4 | -161.4 | -91.9 | -53.4 | 0 | 0 | 0 | 116.4 | F402 | D400-F402 PolarHBondContact O-N 2.89Š| ||
| 401 | W | 16.9 | Very low | 20.3 | Very low | 230 Ų | 230 | 151.8 Ų | 151.8 | 87% | 0.871 | 73% | 0.733 | S | S | * | * | trans | 16.5 | 95.5 | 135.4 | -66.4 | 61.2 | 0 | 0 | 0 | 118.3 | ||||
| 402 | F | 19.6 | Very low | 20.1 | Very low | 181 Ų | 181 | 146 Ų | 146 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | trans | -120.5 | 103.6 | 162.9 | -96.9 | -77.4 | 0 | 0 | 0 | 115.7 | D400 V404 | D400-F402 PolarHBondContact O-N 2.89Å; F402-V404 HydrophobicContact CD1-CG2 3.96Å; F402-V404 PolarHBondContact O-N 2.03Å | ||
| 403 | Y | 18.2 | Very low | 20.2 | Very low | 227 Ų | 227 | 142.2 Ų | 142.2 | 89% | 0.89 | 68% | 0.683 | S | S | * | * | trans | -77.9 | 88 | 164.6 | -116.3 | -90.3 | 0 | 0 | 0 | 110.5 | ||||
| 404 | V | 21.2 | Very low | 20 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | trans | -134 | 90.2 | 167.9 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | F402 | F402-V404 HydrophobicContact CD1-CG2 3.96Å; F402-V404 PolarHBondContact O-N 2.03Å | ||
| 405 | K | 19.1 | Very low | 19.8 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 84% | 0.839 | 67% | 0.669 | S | S | * | * | 74.1 | 153.1 | 95.8 | -94.8 | -177.4 | 177.8 | 168.5 | 0 | 114.6 | |||||
| 406 | P | 22 | Very low | 19.7 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | trans | -103.1 | 170.2 | -165.1 | 40.5 | -36.1 | 0 | 0 | 0 | 113.1 | ||||
| 407 | R | 17.2 | Very low | 19.8 | Very low | 227 Ų | 227 | 141.8 Ų | 141.8 | 86% | 0.857 | 67% | 0.671 | S | S | * | * | trans | 152.7 | 132.3 | 146.1 | -82 | 149.3 | -175.4 | -173.2 | -1.5 | 106.9 | ||||
| 408 | R | 17.6 | Very low | 19.8 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 32% | 0.321 | 67% | 0.669 | S | S | . | * | 74.3 | 121.7 | 52.5 | -83.7 | -176 | 151.1 | -171 | -6 | 113.8 | P312 S313 E315 | P312-R408 PolarHBondContact O-NE 3.42Å; P312-R408 VanDerWaalsContact O-NE 3.09Å; P312-R408 PolarHBondContact O-NH2 2.04Å; S313-R408 VanDerWaalsContact CB-CG 3.45Å; E315-R408 VanDerWaalsContact CD-C 3.5Å; E315-R408 WeakPolarHBondContact OE2-CA 3.37Å; E315-R408 PolarHBondContact OE2-N 3.26Å | |||
| 409 | R | 17.9 | Very low | 19.8 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | trans | 71.2 | 126.5 | 171.4 | -57.2 | 176 | -165.6 | 155.7 | 4.6 | 112.4 | E315 | E315-R409 WeakPolarHBondContact OE1-CA 3.24Å; E315-R409 PolarHBondContact OE1-N 3.23Å; E315-R409 PolarHBondContact OE2-N 2.79Å | ||
| 410 | I | 20.2 | Very low | 19.8 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 62% | 0.621 | 66% | 0.661 | S | S | * | * | cis | 179.2 | 169.2 | 37.8 | -119.5 | 165.5 | 0 | 0 | 0 | 105.5 | E315 | E315-I410 PolarHBondContact OE1-N 2.83Š| ||
| 411 | T | 19 | Very low | 20 | Very low | 82 Ų | 82 | 147.5 Ų | 147.5 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | cis | -161.3 | 127.8 | 45.3 | -27.2 | 0 | 0 | 0 | 0 | 112.9 | I317 G318 | I317-T411 CarbonylContact C-O 3.51Å; I317-T411 VanDerWaalsContact CB-O 3.28Å; I317-T411 WeakPolarHBondContact CB-O 3.1Å; I317-T411 WeakPolarHBondContact CG1-O 3.38Å; G318-T411 PolarHBondContact N-O 3.03Å | ||
| 412 | V | 19.6 | Very low | 20.3 | Very low | 51 Ų | 51 | 144 Ų | 144 | 31% | 0.309 | 66% | 0.657 | S | S | . | * | trans | 26 | 114.8 | 141.9 | 167.6 | 0 | 0 | 0 | 0 | 120.1 | I317 G318 H319 L320 | I317-V412 VanDerWaalsContact CB-C 3.43Å; G318-V412 CarbonylContact C-O 3.59Å; G318-V412 WeakPolarHBondContact CA-O 3.07Å; G318-V412 PolarHBondContact N-O 2.86Å; H319-V412 WeakPolarHBondContact CA-O 3.43Å; H319-V412 PolarHBondContact N-O 3.49Å; L320-V412 WeakPolarHBondContact O-CG1 3.36Å | ||
| 413 | G | 22.6 | Very low | 20.3 | Very low | 27 Ų | 27 | 143 Ų | 143 | 28% | 0.278 | 65% | 0.648 | S | S | . | * | trans | 121.1 | -140.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | I317 G318 H319 | I317-G413 WeakPolarHBondContact CG2-O 3.22Å; G318-G413 PolarHBondContact N-O 2.64Å; G318-G413 CarbonylContact O-C 3.51Å; H319-G413 WeakPolarHBondContact O-CA 3.34Å | ||
| 414 | D | 22 | Very low | 20.6 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | -169.9 | -176.4 | -122 | -122 | -35 | 0 | 0 | 0 | 117.2 | G318 H319 | G318-D414 VanDerWaalsContact C-N 3.3Å; G318-D414 PolarHBondContact O-N 3.49Å; H319-D414 WeakPolarHBondContact O-CB 3.43Å | |||
| 415 | F | 18.3 | Very low | 20.6 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 67% | 0.671 | 61% | 0.608 | S | S | * | * | trans | 71.4 | 107.2 | 145.3 | -81.9 | -151.7 | 0 | 0 | 0 | 123.6 | ||||
| 416 | F | 19.8 | Very low | 20.7 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 77% | 0.772 | 58% | 0.581 | S | S | * | * | trans | 74.1 | 158.6 | 139.6 | -69.9 | -58.8 | 0 | 0 | 0 | 119.2 | ||||
| 417 | P | 22.4 | Very low | 20.8 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | -135.2 | -152.5 | -73.5 | 30.9 | -7.9 | 0 | 0 | 0 | 112.5 | |||||
| 418 | L | 20.6 | Very low | 21.4 | Very low | 133 Ų | 133 | 120.3 Ų | 120.3 | 70% | 0.696 | 55% | 0.549 | S | S | * | . | trans | 82.7 | 137.6 | 160.6 | -62.7 | 162.6 | 0 | 0 | 0 | 117.8 | ||||
| 419 | R | 21 | Very low | 21.6 | Very low | 202 Ų | 202 | 124.4 Ų | 124.4 | 76% | 0.762 | 57% | 0.565 | S | S | * | * | trans | 55.3 | 112.7 | 141.3 | -66.2 | 167.1 | -177.7 | -174.4 | 1.4 | 115.9 | ||||
| 420 | R | 21.1 | Very low | 21.7 | Very low | 204 Ų | 204 | 119 Ų | 119 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | cis | -157.7 | 131.7 | 27 | -98.9 | 151 | 177.2 | -170 | -2 | 108.4 | ||||
| 421 | R | 22.5 | Very low | 21.9 | Very low | 200 Ų | 200 | 119.8 Ų | 119.8 | 76% | 0.755 | 57% | 0.565 | S | S | * | * | 53.9 | 124.3 | 89 | -81.3 | -177.5 | 167.9 | -175.1 | -1.4 | 113.5 | |||||
| 422 | K | 23.2 | Very low | 22 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | trans | 62.4 | 115.8 | 153.3 | -52.7 | 168.3 | -178.7 | -168 | 0 | 113.5 | ||||
| 423 | W | 20.5 | Very low | 22.2 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | S | Bend | cis | -107.1 | 127.6 | 35.3 | -88.5 | 59.6 | 0 | 0 | 0 | 112.4 | Y692 K697 | W423-Y692 AromaticContact CH2-CE1 3.51Å; W423-Y692 HydrophobicContact CH2-CE1 3.51Å; W423-Y692 AromaticContact CH2-CZ 3.94Å; W423-Y692 AromaticContact CZ2-CE1 3.89Å; W423-Y692 HydrophobicContact CZ2-CE1 3.89Å; W423-Y692 WeakPolarHBondContact CZ2-OH 3.24Å; W423-K697 HydrophobicContact CH2-CB 3.99Å; W423-K697 HydrophobicContact CH2-CD 4.26Å; W423-K697 HydrophobicContact CZ3-CB 4.01Å |
| 424 | I | 24.1 | Very low | 22.2 | Very low | 47 Ų | 47 | 130.8 Ų | 130.8 | 24% | 0.241 | 60% | 0.601 | C | S | . | * | 75.9 | 103.2 | 75.8 | -69 | 169.4 | 0 | 0 | 0 | 108.8 | N695 | I424-N695 HydrophobicContact CB-CB 4.13Å; I424-N695 HydrophobicContact CD1-CB 3.55Å; I424-N695 HydrophobicContact CG1-CB 3.55Å; I424-N695 HydrophobicContact CG2-CB 3.54Å; I424-N695 WeakPolarHBondContact CG2-O 3.42Å | |||
| 425 | A | 21.7 | Very low | 22.1 | Very low | 60 Ų | 60 | 133.8 Ų | 133.8 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | cis | 71.7 | 167.2 | 31.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 426 | R | 20.8 | Very low | 22.4 | Very low | 76 Ų | 76 | 132 Ų | 132 | 29% | 0.287 | 61% | 0.607 | S | S | . | * | trans | 72.4 | 154.1 | -178.3 | -84.4 | -154.9 | 164.1 | 62.5 | -3.5 | 115 | S693 N695 N696 | R426-S693 WeakPolarHBondContact CD-O 3.31Å; R426-S693 PolarHBondContact NE-O 3.33Å; R426-N695 HydrophobicContact CB-CB 4.24Å; R426-N695 VanDerWaalsContact CD-N 3.31Å; R426-N695 HydrophobicContact CG-CB 3.84Å; R426-N695 PolarHBondContact NH1-ND2 3.49Å; R426-N695 PolarHBondContact NH1-OD1 3.25Å; R426-N696 VanDerWaalsContact C-OD1 3.32Å; R426-N696 WeakPolarHBondContact CB-OD1 3.44Å; R426-N696 PolarHBondContact O-OD1 2.74Å | ||
| 427 | W | 23.7 | Very low | 22.6 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 27% | 0.269 | 60% | 0.603 | S | S | . | * | cis | -155.1 | 114.3 | -17.6 | -128.1 | 3.4 | 0 | 0 | 0 | 111.8 | S693 N739 | W427-S693 WeakPolarHBondContact CZ3-O 3.25Å; W427-N739 PolarHBondContact N-OD1 2.64Å; W427-N739 PolarHBondContact O-ND2 3.11Å; W427-N739 PolarHBondContact O-OD1 3.47Å; W427-N739 VanDerWaalsContact O-OD1 3.13Å | ||
| 428 | K | 30.2 | Very low | 22.7 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | -179.6 | 142 | 84.2 | -96.3 | 177.8 | -179.8 | -176 | 0 | 107.6 | |||||
| 429 | R | 22.9 | Very low | 22.9 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 64% | 0.642 | 60% | 0.601 | S | S | * | * | cis | 63.4 | 80.9 | 28.5 | -164.8 | -176.3 | -76.7 | -161.6 | -8.5 | 112.2 | ||||
| 430 | S | 19.1 | Very low | 22.9 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | 55.1 | 96.4 | 79.6 | 83.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 431 | T | 25.2 | Very low | 22.9 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 84% | 0.84 | 60% | 0.601 | S | S | * | * | -110.5 | 108.3 | 129.6 | 40.8 | 0 | 0 | 0 | 0 | 103.9 | |||||
| 432 | F | 19.9 | Very low | 22.9 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | 49 | 95.5 | 73.9 | -95.4 | -102.8 | 0 | 0 | 0 | 110.8 | P794 F797 | F432-P794 HydrophobicContact CE2-CG 3.84Å; F432-P794 HydrophobicContact CZ-CG 4.34Å; F432-F797 HydrophobicContact CE1-CE2 4.49Å | |||
| 433 | E | 24.4 | Very low | 22.8 | Very low | 176 Ų | 176 | 121.9 Ų | 121.9 | 82% | 0.822 | 61% | 0.611 | S | S | * | * | -61.6 | 136.6 | 126.3 | -67.7 | 167.5 | 145.3 | 0 | 0 | 108 | |||||
| 434 | N | 23.4 | Very low | 22.7 | Very low | 92 Ų | 92 | 121.3 Ų | 121.3 | 49% | 0.492 | 62% | 0.618 | S | S | . | * | -170.5 | 139.3 | 121.9 | -102 | -6.9 | 0 | 0 | 0 | 109.2 | F797 | N434-F797 HydrophobicContact CB-CE2 4.26Å; N434-F797 HydrophobicContact CB-CZ 4.36Å; N434-F797 WeakPolarHBondContact ND2-CE2 3.06Å; N434-F797 VanDerWaalsContact ND2-CZ 3.27Å; N434-F797 WeakPolarHBondContact ND2-CZ 3.15Å | |||
| 435 | Y | 18.8 | Very low | 22.6 | Very low | 175 Ų | 175 | 124.2 Ų | 124.2 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | trans | 51.9 | 105.1 | 144.6 | -72.5 | -122.1 | 0 | 0 | 0 | 117.4 | ||||
| 436 | T | 24.2 | Very low | 22.5 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | -94.7 | 145.1 | 90.3 | 61.4 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 437 | D | 24 | Very low | 22.4 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 68% | 0.679 | 67% | 0.67 | S | S | * | * | 54.4 | 166.5 | 52.3 | -73.2 | -46.2 | 0 | 0 | 0 | 113 | |||||
| 438 | D | 25.8 | Very low | 22.3 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 65% | 0.647 | 70% | 0.697 | S | S | * | * | trans | 79.5 | 90.5 | 162.8 | -72.9 | -44.4 | 0 | 0 | 0 | 119.3 | ||||
| 439 | N | 25.1 | Very low | 21.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | trans | 83.7 | 119.8 | 130.9 | -52.8 | -51.4 | 0 | 0 | 0 | 118.2 | ||||
| 440 | V | 21.3 | Very low | 21.7 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 67% | 0.667 | 70% | 0.702 | S | S | * | * | cis | 72.7 | 124 | 48.2 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 441 | E | 20.4 | Very low | 21.8 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | trans | 54.6 | 84.9 | 162 | -69.1 | 164.6 | -166.9 | 0 | 0 | 118.1 | ||||
| 442 | S | 22.4 | Very low | 21.5 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | -151 | 100.2 | 121.4 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 443 | E | 21.3 | Very low | 21.4 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | trans | -62 | -169.5 | 142.1 | -63.3 | -174.1 | 131.9 | 0 | 0 | 110 | ||||
| 444 | I | 18.4 | Very low | 21.3 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | 87.1 | 137.8 | 163.2 | -51 | 157.5 | 0 | 0 | 0 | 114.9 | ||||
| 445 | T | 21.5 | Very low | 21.2 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | trans | 56.6 | 81.1 | 168.9 | 43.3 | 0 | 0 | 0 | 0 | 117.8 | S447 | T445-S447 PolarHBondContact O-N 2.9Š| ||
| 446 | K | 19.8 | Very low | 21.2 | Very low | 200 Ų | 200 | 124.2 Ų | 124.2 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | -58.1 | 89.7 | 118.3 | -75.5 | -176.4 | 178 | 177.1 | 0 | 108.8 | |||||
| 447 | S | 19.1 | Very low | 21 | Very low | 83 Ų | 83 | 124.2 Ų | 124.2 | 58% | 0.58 | 72% | 0.721 | S | S | * | * | trans | -96.7 | 68.3 | 165.5 | 60.3 | 0 | 0 | 0 | 0 | 109.6 | T445 S449 | T445-S447 PolarHBondContact O-N 2.9Å; S447-S449 PolarHBondContact O-N 2.94Å | ||
| 448 | D | 21.9 | Very low | 20.8 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | -65.5 | 77.9 | 162.9 | -80.3 | -57.4 | 0 | 0 | 0 | 109 | ||||
| 449 | S | 19.9 | Very low | 20.6 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | trans | -109.4 | 99.1 | 177.1 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | S447 | S447-S449 PolarHBondContact O-N 2.94Š| ||
| 450 | S | 20.1 | Very low | 20.3 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | 47.2 | 119.1 | 146.4 | 60.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 451 | S | 20.2 | Very low | 20.3 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | 170.7 | 159.5 | 52.2 | 32.5 | 0 | 0 | 0 | 0 | 108 | |||||
| 452 | S | 18.9 | Very low | 20.3 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | cis | -159.5 | -169.8 | -10 | 45.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 453 | S | 18.7 | Very low | 20.2 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | 42 | 99.3 | 143.5 | 59.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 454 | S | 21.3 | Very low | 20.1 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | 39.4 | 144.8 | 51.1 | 96.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 455 | P | 21.5 | Very low | 20.2 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | cis | -107.8 | -152.6 | -16.9 | 18.5 | 6.4 | 0 | 0 | 0 | 108.2 | ||||
| 456 | I | 18.9 | Very low | 20 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 67% | 0.672 | 72% | 0.723 | S | S | * | * | cis | -156.4 | 113.9 | 30.4 | -79.6 | 173 | 0 | 0 | 0 | 105.2 | ||||
| 457 | T | 20.2 | Very low | 20.1 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | 43.4 | 139.2 | 92 | 43.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 458 | S | 20.6 | Very low | 20.3 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | trans | 65.7 | 153.7 | -172.1 | 81.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 459 | L | 20.8 | Very low | 20.2 | Very low | 156 Ų | 156 | 125.3 Ų | 125.3 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | cis | -98.7 | 132.3 | -1 | -82.1 | 83.8 | 0 | 0 | 0 | 110 | ||||
| 460 | Y | 19.6 | Very low | 20.2 | Very low | 193 Ų | 193 | 125.9 Ų | 125.9 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | 58.6 | 119.6 | 88.5 | -91.4 | -91.5 | 0 | 0 | 0 | 113.9 | |||||
| 461 | T | 20.5 | Very low | 20.3 | Very low | 120 Ų | 120 | 128 Ų | 128 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | 27.4 | 137.9 | 135.8 | 62.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 462 | S | 20.9 | Very low | 20.3 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | -163.9 | 148 | 44.1 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 463 | E | 19.6 | Very low | 20.5 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | trans | 46.6 | 120.9 | 130.6 | -57.6 | 178.1 | 152.7 | 0 | 0 | 121.3 | ||||
| 464 | T | 20 | Very low | 20.8 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | 52 | 142.5 | 131.3 | 74.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 465 | S | 19.7 | Very low | 21.1 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | -176.6 | 168.1 | 50.4 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 466 | Y | 17.2 | Very low | 21.3 | Very low | 204 Ų | 204 | 129.9 Ų | 129.9 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | 52.3 | 100.4 | 159.4 | -61.2 | -65.2 | 0 | 0 | 0 | 122.1 | ||||
| 467 | T | 22.6 | Very low | 21.7 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | 26.5 | 161.5 | 107.9 | 67.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 468 | P | 23 | Very low | 22.3 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | -140.9 | 170.4 | -51.6 | 41 | -25 | 0 | 0 | 0 | 112.9 | |||||
| 469 | Q | 19.5 | Very low | 23 | Very low | 201 Ų | 201 | 120.7 Ų | 120.7 | 94% | 0.939 | 66% | 0.657 | S | S | * | * | trans | -178.5 | 168.9 | 136.3 | -106.7 | 175 | 6.3 | 0 | 0 | 113.1 | ||||
| 470 | S | 20.5 | Very low | 23.8 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | trans | -134.7 | 144.6 | -168.5 | 56.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 471 | T | 21.2 | Very low | 24.8 | Very low | 148 Ų | 148 | 110 Ų | 110 | 91% | 0.908 | 62% | 0.617 | S | S | * | * | trans | -135.2 | 146.7 | 156 | 37.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 472 | I | 20.4 | Very low | 25.8 | Very low | 139 Ų | 139 | 112.7 Ų | 112.7 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | trans | -118.6 | 150.3 | -173.1 | -66.6 | 173 | 0 | 0 | 0 | 109.2 | ||||
| 473 | L | 24.1 | Very low | 27 | Very low | 165 Ų | 165 | 114.4 Ų | 114.4 | 86% | 0.864 | 61% | 0.613 | S | S | * | * | trans | -134.3 | 125.5 | 172.8 | -85.3 | 163.7 | 0 | 0 | 0 | 108.7 | ||||
| 474 | D | 23.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 106.7 Ų | 106.7 | 75% | 0.754 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 139.8 | -167.2 | -58.8 | -62.9 | 0 | 0 | 0 | 114.5 | ||
| 475 | P | 28.1 | Very low | 29.1 | Very low | 37 Ų | 37 | 104.4 Ų | 104.4 | 24% | 0.24 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -88.2 | 159.4 | 170.5 | 34.8 | -32.9 | 0 | 0 | 0 | 113.2 | T556 | P475-T556 HydrophobicContact CG-CG2 3.88Š|
| 476 | P | 26.2 | Very low | 30.3 | Very low | 74 Ų | 74 | 105.3 Ų | 105.3 | 48% | 0.481 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 160.9 | -172.1 | 31 | -37.1 | 0 | 0 | 0 | 115.5 | F478 L572 | P476-F478 WeakPolarHBondContact O-CE2 3.38Å; P476-L572 VanDerWaalsContact O-CD2 3.27Å; P476-L572 WeakPolarHBondContact O-CD2 3.03Å |
| 477 | L | 27.5 | Very low | 31.8 | Very low | 76 Ų | 76 | 99.6 Ų | 99.6 | 40% | 0.398 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -83.5 | 148.4 | -174.8 | -134.8 | 88.6 | 0 | 0 | 0 | 113.9 | V479 L542 L572 | L477-V479 HydrophobicContact CD2-CG2 4.42Å; L477-L542 PolarHBondContact O-N 2.96Å; L477-L542 VanDerWaalsContact O-N 3.17Å; L477-L572 HydrophobicContact CD1-CD2 4.04Å; L477-L572 HydrophobicContact CG-CD2 4.39Å |
| 478 | F | 32.5 | Very low | 32.5 | Very low | 28 Ų | 28 | 104.1 Ų | 104.1 | 12% | 0.123 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.9 | 176.9 | -63.3 | -90.9 | 0 | 0 | 0 | 111.2 | P476 L542 I544 L572 C573 | P476-F478 WeakPolarHBondContact O-CE2 3.38Å; F478-L542 WeakPolarHBondContact CA-O 3.47Å; F478-L542 HydrophobicContact CD1-CB 3.42Å; F478-L542 VanDerWaalsContact CD1-CB 3.42Å; F478-L542 HydrophobicContact CD1-CD1 4.48Å; F478-L542 HydrophobicContact CE1-CB 3.52Å; F478-L542 HydrophobicContact CE1-CD1 3.72Å; F478-L542 HydrophobicContact CE1-CG 4.21Å; F478-L542 HydrophobicContact CG-CB 4.41Å; F478-L542 HydrophobicContact CZ-CD1 4.16Å; F478-I544 HydrophobicContact CB-CD1 3.98Å; F478-I544 HydrophobicContact CB-CG1 4.19Å; F478-I544 HydrophobicContact CD1-CD1 3.47Å; F478-I544 VanDerWaalsContact CD1-CD1 3.47Å; F478-I544 HydrophobicContact CD1-CG1 3.58Å; F478-I544 HydrophobicContact CE1-CD1 4.17Å; F478-I544 HydrophobicContact CE1-CG1 4.41Å; F478-I544 HydrophobicContact CG-CD1 3.92Å; F478-I544 HydrophobicContact CG-CG1 4.28Å; F478-L572 HydrophobicContact CD2-CD2 4.5Å; F478-C573 HydrophobicContact CD2-CB 4.39Å; F478-C573 HydrophobicContact CE2-CB 3.73Å; F478-C573 HydrophobicContact CZ-CB 3.91Å |
| 479 | V | 35.3 | Very low | 33.5 | Very low | 41 Ų | 41 | 102 Ų | 102 | 25% | 0.248 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -138.9 | 145.4 | -168.7 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | L477 I518 A541 L542 L543 I544 | L477-V479 HydrophobicContact CD2-CG2 4.42Å; V479-I518 HydrophobicContact CG1-CD1 3.39Å; V479-I518 HydrophobicContact CG1-CG1 4.41Å; V479-A541 HydrophobicContact CG2-CB 4.41Å; V479-L542 PolarHBondContact N-O 2.89Å; V479-L542 VanDerWaalsContact N-O 3.12Å; V479-L543 HydrophobicContact CB-CD2 4.37Å; V479-L543 WeakPolarHBondContact O-CA 3.31Å; V479-I544 PolarHBondContact O-N 2.82Å |
| 480 | S | 37.8 | Very low | 35 | Very low | 50 Ų | 50 | 94 Ų | 94 | 35% | 0.35 | 53% | 0.527 | S | S | . | . | trans | -99.4 | 130.4 | 179.8 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | Y482 | S480-Y482 VanDerWaalsContact C-N 3.27Å; S480-Y482 PolarHBondContact O-N 3.02Å | ||
| 481 | I | 41.2 | Very low | 36.2 | Very low | 76 Ų | 76 | 94.8 Ų | 94.8 | 39% | 0.39 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -75.9 | -11 | -176.2 | -156.2 | 167.3 | 0 | 0 | 0 | 114.1 | Q483 C484 L543 | I481-Q483 PolarHBondContact O-N 3.44Å; I481-C484 PolarHBondContact O-N 2.81Å; I481-L543 HydrophobicContact CB-CD2 4.34Å |
| 482 | Y | 41.6 | Very low | 37.2 | Very low | 175 Ų | 175 | 92.1 Ų | 92.1 | 69% | 0.686 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -63.7 | -18.6 | 179.9 | -76.6 | -80.1 | 0 | 0 | 0 | 113.9 | S480 C484 | S480-Y482 VanDerWaalsContact C-N 3.27Å; S480-Y482 PolarHBondContact O-N 3.02Å; Y482-C484 VanDerWaalsContact C-N 3.26Å; Y482-C484 PolarHBondContact O-N 2.77Å |
| 483 | Q | 45.1 | Very low | 38.4 | Very low | 130 Ų | 130 | 89.6 Ų | 89.6 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -72.2 | -10.4 | -178.4 | -70.3 | -178.2 | -26.5 | 0 | 0 | 114.6 | I481 I518 C520 | I481-Q483 PolarHBondContact O-N 3.44Å; Q483-I518 HydrophobicContact CB-CD1 4.23Å; Q483-C520 PolarHBondContact O-SG 2.84Å; Q483-C520 VanDerWaalsContact O-SG 3.35Å |
| 484 | C | 42.7 | Very low | 39.2 | Very low | 4 Ų | 4 | 85 Ų | 85 | 3% | 0.027 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -129.5 | 77.6 | 175.2 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | I481 Y482 R492 V494 C520 Y522 | I481-C484 PolarHBondContact O-N 2.81Å; Y482-C484 VanDerWaalsContact C-N 3.26Å; Y482-C484 PolarHBondContact O-N 2.77Å; C484-R492 VanDerWaalsContact O-CD 3.26Å; C484-R492 WeakPolarHBondContact O-CD 3.5Å; C484-R492 PolarHBondContact O-NH1 3.17Å; C484-V494 HydrophobicContact CB-CG2 4.02Å; C484-C520 VanDerWaalsContact CA-SG 3.51Å; C484-C520 HydrophobicContact CB-CB 3.74Å; C484-C520 WeakPolarHBondContact CB-SG 3.04Å; C484-C520 WeakPolarHBondContact SG-CB 3.47Å; C484-C520 CovalentContact SG-SG 2.03Å; C484-C520 PolarHBondContact SG-SG 3.31Å; C484-Y522 WeakPolarHBondContact CA-OH 3.29Å |
| 485 | P | 40.8 | Very low | 40.1 | Very low | 86 Ų | 86 | 78.7 Ų | 78.7 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | trans | -67.4 | 142.7 | 178.9 | 27.5 | -34.7 | 0 | 0 | 0 | 113.2 | Y522 | P485-Y522 WeakPolarHBondContact O-CE1 3.22Å; P485-Y522 PolarHBondContact O-OH 3.12Å | ||
| 486 | P | 45.7 | Very low | 40.3 | Very low | 108 Ų | 108 | 80.5 Ų | 80.5 | 70% | 0.701 | 44% | 0.442 | S | S | * | . | trans | -76.8 | 137.2 | -173.8 | 31 | -35.2 | 0 | 0 | 0 | 113.9 | ||||
| 487 | V | 48.3 | Very low | 40.7 | Very low | 84 Ų | 84 | 82.1 Ų | 82.1 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | trans | -110.6 | 138.9 | 178.7 | 179.4 | 0 | 0 | 0 | 0 | 111 | T490 Y522 | V487-T490 PolarHBondContact O-OG1 3.38Å; V487-T490 VanDerWaalsContact O-OG1 3.12Å; V487-Y522 HydrophobicContact CB-CD1 4.2Å; V487-Y522 HydrophobicContact CB-CE1 4.49Å; V487-Y522 HydrophobicContact CG2-CD1 4.2Å; V487-Y522 HydrophobicContact CG2-CE1 4.13Å | ||
| 488 | K | 36.2 | Very low | 40.8 | Very low | 211 Ų | 211 | 86 Ų | 86 | 92% | 0.917 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 138.7 | 176.5 | -86.3 | -174.9 | 176.3 | 178.4 | 0 | 111 | T490 | K488-T490 VanDerWaalsContact C-N 3.31Š|
| 489 | G | 45.3 | Very low | 40.4 | Very low | 67 Ų | 67 | 95.3 Ų | 95.3 | 69% | 0.691 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -12 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 490 | T | 51 | Low | 39.9 | Very low | 34 Ų | 34 | 100.9 Ų | 100.9 | 21% | 0.209 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 142.8 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | V487 K488 R523 | V487-T490 PolarHBondContact O-OG1 3.38Å; V487-T490 VanDerWaalsContact O-OG1 3.12Å; K488-T490 VanDerWaalsContact C-N 3.31Å; T490-R523 CarbonylContact C-O 3.57Å; T490-R523 VanDerWaalsContact CA-O 3.23Å; T490-R523 WeakPolarHBondContact CA-O 3.36Å |
| 491 | N | 44.5 | Very low | 39.2 | Very low | 117 Ų | 117 | 104.4 Ų | 104.4 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126.7 | 164.7 | -74.3 | -27.3 | 0 | 0 | 0 | 110 | E521 Y522 R523 | N491-E521 VanDerWaalsContact O-O 3.11Å; N491-Y522 WeakPolarHBondContact O-CA 3.45Å; N491-R523 PolarHBondContact N-O 3.08Å; N491-R523 PolarHBondContact O-N 2.79Å |
| 492 | R | 43.8 | Very low | 38.5 | Very low | 92 Ų | 92 | 107.8 Ų | 107.8 | 35% | 0.347 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 104 | -179.8 | -175.4 | -169.5 | 84.4 | -170.8 | 0.9 | 111.7 | C484 V494 E521 Y522 | C484-R492 VanDerWaalsContact O-CD 3.26Å; C484-R492 WeakPolarHBondContact O-CD 3.5Å; C484-R492 PolarHBondContact O-NH1 3.17Å; R492-V494 HydrophobicContact CG-CG2 4.05Å; R492-E521 CarbonylContact C-O 3.6Å; R492-E521 WeakPolarHBondContact CA-O 3.22Å; R492-Y522 HydrophobicContact CB-CD1 3.96Å; R492-Y522 HydrophobicContact CB-CE1 3.82Å; R492-Y522 HydrophobicContact CG-CD1 4Å; R492-Y522 HydrophobicContact CG-CE1 3.44Å; R492-Y522 VanDerWaalsContact CG-CE1 3.44Å |
| 493 | L | 45.1 | Very low | 37.7 | Very low | 86 Ų | 86 | 104.9 Ų | 104.9 | 45% | 0.45 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.5 | 145.9 | 159.7 | -155.5 | 71.3 | 0 | 0 | 0 | 109.3 | A495 C520 E521 | L493-A495 HydrophobicContact CD2-CB 4.31Å; L493-C520 WeakPolarHBondContact O-CA 3.48Å; L493-E521 HydrophobicContact CB-CB 3.86Å; L493-E521 PolarHBondContact N-O 2.88Å; L493-E521 PolarHBondContact O-N 3.37Å |
| 494 | V | 40.2 | Very low | 36.9 | Very low | 68 Ų | 68 | 106.5 Ų | 106.5 | 41% | 0.412 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.9 | 108.4 | 170.9 | -177.9 | 0 | 0 | 0 | 0 | 106.6 | C484 R492 I518 S519 | C484-V494 HydrophobicContact CB-CG2 4.02Å; R492-V494 HydrophobicContact CG-CG2 4.05Å; V494-I518 HydrophobicContact CG1-CG2 3.42Å; V494-I518 VanDerWaalsContact CG1-CG2 3.42Å; V494-S519 WeakPolarHBondContact CA-O 3.24Å |
| 495 | A | 42.5 | Very low | 36.1 | Very low | 9 Ų | 9 | 113.7 Ų | 113.7 | 7% | 0.074 | 61% | 0.609 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.9 | 122.2 | -172 | 0 | 0 | 0 | 0 | 0 | 111.2 | L493 L497 S519 | L493-A495 HydrophobicContact CD2-CB 4.31Å; A495-L497 PolarHBondContact O-N 2.8Å; A495-S519 PolarHBondContact N-O 2.94Å; A495-S519 WeakPolarHBondContact O-CA 3.17Å; A495-S519 VanDerWaalsContact O-CB 3.27Å; A495-S519 WeakPolarHBondContact O-CB 3.33Å; A495-S519 PolarHBondContact O-N 2.91Å |
| 496 | P | 34.1 | Very low | 35.5 | Very low | 74 Ų | 74 | 113.4 Ų | 113.4 | 48% | 0.481 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.9 | 127.7 | 167.8 | 28.3 | -32.8 | 0 | 0 | 0 | 109.4 | F498 | P496-F498 HydrophobicContact CB-CE2 4.15Å; P496-F498 HydrophobicContact CG-CE2 3.89Å; P496-F498 PolarHBondContact O-N 2.78Å |
| 497 | L | 33.1 | Very low | 34.6 | Very low | 108 Ų | 108 | 114.6 Ų | 114.6 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | trans | -88 | 94.8 | 177.4 | -80.4 | 173 | 0 | 0 | 0 | 111.1 | A495 E517 | A495-L497 PolarHBondContact O-N 2.8Å; L497-E517 PolarHBondContact N-O 2.87Å | ||
| 498 | F | 30 | Very low | 33.6 | Very low | 159 Ų | 159 | 114 Ų | 114 | 70% | 0.697 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -76 | 120.6 | 160.1 | -56.7 | -81.6 | 0 | 0 | 0 | 108.6 | P496 | P496-F498 HydrophobicContact CB-CE2 4.15Å; P496-F498 HydrophobicContact CG-CE2 3.89Å; P496-F498 PolarHBondContact O-N 2.78Å |
| 499 | R | 23.6 | Very low | 33.2 | Very low | 223 Ų | 223 | 107 Ų | 107 | 84% | 0.842 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 131.2 | 171.8 | -121.8 | -176 | -176.9 | -150.9 | -1.3 | 109.5 | ||
| 500 | N | 25.6 | Very low | 32.5 | Very low | 158 Ų | 158 | 107.2 Ų | 107.2 | 85% | 0.845 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 132.5 | 177 | -61.2 | -17.4 | 0 | 0 | 0 | 109.9 | ||
| 501 | V | 23.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 107.4 Ų | 107.4 | 75% | 0.752 | 57% | 0.565 | S | S | * | * | trans | -121.3 | 137.7 | 168.4 | -179.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 502 | L | 25.5 | Very low | 30.3 | Very low | 147 Ų | 147 | 108.7 Ų | 108.7 | 77% | 0.77 | 57% | 0.567 | S | S | * | * | trans | -79.9 | 156.4 | 179.9 | -85.5 | 79.4 | 0 | 0 | 0 | 111 | D504 | L502-D504 PolarHBondContact O-N 3.34Š| ||
| 503 | P | 25.7 | Very low | 29.5 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 74% | 0.74 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 124.7 | 176.2 | 29.4 | -34 | 0 | 0 | 0 | 111.3 | ||
| 504 | D | 28.7 | Very low | 28.5 | Very low | 164 Ų | 164 | 111.8 Ų | 111.8 | 88% | 0.877 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166.5 | -10.8 | 139.1 | -86.6 | -8.5 | 0 | 0 | 0 | 112.2 | L502 | L502-D504 PolarHBondContact O-N 3.34Š|
| 505 | E | 25.3 | Very low | 27.8 | Very low | 154 Ų | 154 | 112.6 Ų | 112.6 | 72% | 0.72 | 59% | 0.589 | S | S | * | * | trans | -78.7 | 162.4 | 170 | -72.2 | -173 | 169.9 | 0 | 0 | 113.4 | D509 | E505-D509 HydrophobicContact CB-CB 4.26Š| ||
| 506 | T | 27.5 | Very low | 27.1 | Very low | 81 Ų | 81 | 115.6 Ų | 115.6 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | trans | -101 | 172.5 | -158.9 | 78.6 | 0 | 0 | 0 | 0 | 113.9 | S508 D509 V510 | T506-S508 PolarHBondContact O-N 3.36Å; T506-S508 WeakPolarHBondContact OG1-CB 3.49Å; T506-S508 PolarHBondContact OG1-N 3.35Å; T506-D509 WeakPolarHBondContact CA-OD2 3.43Å; T506-D509 WeakPolarHBondContact CB-OD2 3.23Å; T506-D509 PolarHBondContact N-OD2 2.62Å; T506-D509 PolarHBondContact O-N 3.01Å; T506-D509 PolarHBondContact OG1-OD2 3.39Å; T506-V510 WeakPolarHBondContact O-CG2 3.32Å; T506-V510 PolarHBondContact O-N 3.21Å | ||
| 507 | L | 26.8 | Very low | 27 | Very low | 132 Ų | 132 | 118.4 Ų | 118.4 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.8 | -19 | 174.8 | -172.3 | 60.8 | 0 | 0 | 0 | 113.6 | L511 | L507-L511 WeakPolarHBondContact O-CD1 3.08Å; L507-L511 WeakPolarHBondContact O-CG 3.37Å |
| 508 | S | 28 | Very low | 27.4 | Very low | 73 Ų | 73 | 115.1 Ų | 115.1 | 51% | 0.51 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.6 | -39.8 | 172.6 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | T506 L511 | T506-S508 PolarHBondContact O-N 3.36Å; T506-S508 WeakPolarHBondContact OG1-CB 3.49Å; T506-S508 PolarHBondContact OG1-N 3.35Å; S508-L511 PolarHBondContact O-N 3.08Å |
| 509 | D | 28.5 | Very low | 27.8 | Very low | 63 Ų | 63 | 109.5 Ų | 109.5 | 34% | 0.337 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -83.5 | -32.4 | -170.5 | -42.8 | -58.7 | 0 | 0 | 0 | 110.3 | E505 T506 L511 N513 | E505-D509 HydrophobicContact CB-CB 4.26Å; T506-D509 WeakPolarHBondContact CA-OD2 3.43Å; T506-D509 WeakPolarHBondContact CB-OD2 3.23Å; T506-D509 PolarHBondContact N-OD2 2.62Å; T506-D509 PolarHBondContact O-N 3.01Å; T506-D509 PolarHBondContact OG1-OD2 3.39Å; D509-L511 VanDerWaalsContact C-N 3.3Å; D509-L511 PolarHBondContact O-N 3.41Å; D509-N513 PolarHBondContact O-ND2 2.81Å |
| 510 | V | 30 | Very low | 28.5 | Very low | 71 Ų | 71 | 100.6 Ų | 100.6 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 168.2 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | T506 Q512 L514 | T506-V510 WeakPolarHBondContact O-CG2 3.32Å; T506-V510 PolarHBondContact O-N 3.21Å; V510-Q512 PolarHBondContact O-N 2.93Å; V510-L514 HydrophobicContact CG1-CD1 3.61Å; V510-L514 HydrophobicContact CG1-CG 4.48Å; V510-L514 WeakPolarHBondContact O-CG 3.2Å |
| 511 | L | 24.8 | Very low | 29.5 | Very low | 39 Ų | 39 | 96.3 Ų | 96.3 | 20% | 0.204 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -19.7 | -172.2 | -80.9 | 170.1 | 0 | 0 | 0 | 114.9 | L507 S508 D509 V562 I565 | L507-L511 WeakPolarHBondContact O-CD1 3.08Å; L507-L511 WeakPolarHBondContact O-CG 3.37Å; S508-L511 PolarHBondContact O-N 3.08Å; D509-L511 VanDerWaalsContact C-N 3.3Å; D509-L511 PolarHBondContact O-N 3.41Å; L511-V562 HydrophobicContact CD2-CG1 4.05Å; L511-V562 HydrophobicContact CD2-CG2 4.12Å; L511-I565 HydrophobicContact CB-CD1 4.06Å; L511-I565 HydrophobicContact CD1-CD1 4.4Å; L511-I565 WeakPolarHBondContact O-CG2 3.16Å |
| 512 | Q | 24.5 | Very low | 30.9 | Very low | 143 Ų | 143 | 93.9 Ų | 93.9 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -14.4 | 179.6 | -63.2 | -166.7 | 14.6 | 0 | 0 | 113.9 | V510 I565 | V510-Q512 PolarHBondContact O-N 2.93Å; Q512-I565 HydrophobicContact CG-CG2 4.23Å |
| 513 | N | 26.4 | Very low | 31.8 | Very low | 137 Ų | 137 | 94.3 Ų | 94.3 | 73% | 0.733 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -114.5 | 9 | -170.2 | -70.2 | -70.3 | 0 | 0 | 0 | 114.7 | D509 F515 | D509-N513 PolarHBondContact O-ND2 2.81Å; N513-F515 PolarHBondContact O-N 2.04Å |
| 514 | L | 24.7 | Very low | 32.7 | Very low | 106 Ų | 106 | 96.8 Ų | 96.8 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | trans | -100.4 | 63.4 | -174.6 | -81.1 | 174.1 | 0 | 0 | 0 | 114.3 | V510 L566 | V510-L514 HydrophobicContact CG1-CD1 3.61Å; V510-L514 HydrophobicContact CG1-CG 4.48Å; V510-L514 WeakPolarHBondContact O-CG 3.2Å; L514-L566 HydrophobicContact CB-CD1 4.21Å; L514-L566 WeakPolarHBondContact O-CD1 3.24Å | ||
| 515 | F | 25.1 | Very low | 33.3 | Very low | 85 Ų | 85 | 92.6 Ų | 92.6 | 37% | 0.373 | 48% | 0.483 | S | S | . | . | trans | -115.5 | 122 | 154.8 | -89.2 | -49.5 | 0 | 0 | 0 | 110.7 | N513 E517 L566 T568 | N513-F515 PolarHBondContact O-N 2.04Å; F515-E517 PolarHBondContact O-N 3.33Å; F515-L566 HydrophobicContact CD2-CB 4.47Å; F515-L566 HydrophobicContact CD2-CD2 3.65Å; F515-L566 HydrophobicContact CE1-CB 4.08Å; F515-L566 HydrophobicContact CE2-CB 3.78Å; F515-L566 HydrophobicContact CE2-CD2 3.71Å; F515-L566 HydrophobicContact CE2-CG 4.36Å; F515-L566 HydrophobicContact CG-CD2 4.21Å; F515-L566 HydrophobicContact CZ-CB 3.56Å; F515-L566 HydrophobicContact CZ-CD2 4.3Å; F515-T568 WeakPolarHBondContact CE1-OG1 3.2Å; F515-T568 HydrophobicContact CZ-CG2 4.21Å; F515-T568 VanDerWaalsContact CZ-OG1 3.29Å; F515-T568 WeakPolarHBondContact CZ-OG1 3.42Å | ||
| 516 | P | 28.9 | Very low | 33.9 | Very low | 72 Ų | 72 | 94.9 Ų | 94.9 | 47% | 0.468 | 49% | 0.49 | S | S | . | . | trans | -76.4 | 94.9 | 179.9 | 30.2 | -33.4 | 0 | 0 | 0 | 110.8 | I518 | P516-I518 PolarHBondContact O-N 2.95Š| ||
| 517 | E | 31.4 | Very low | 33.9 | Very low | 134 Ų | 134 | 96.7 Ų | 96.7 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | trans | -59.7 | 127.7 | 166.8 | -71.3 | -170.2 | 142.7 | 0 | 0 | 110.5 | L497 F515 S519 | L497-E517 PolarHBondContact N-O 2.87Å; F515-E517 PolarHBondContact O-N 3.33Å; E517-S519 PolarHBondContact O-N 2.82Å | ||
| 518 | I | 40.2 | Very low | 33.9 | Very low | 39 Ų | 39 | 99.8 Ų | 99.8 | 20% | 0.2 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 110.8 | 166.9 | -51.8 | -176.5 | 0 | 0 | 0 | 107.7 | V479 Q483 V494 P516 C520 | V479-I518 HydrophobicContact CG1-CD1 3.39Å; V479-I518 HydrophobicContact CG1-CG1 4.41Å; Q483-I518 HydrophobicContact CB-CD1 4.23Å; V494-I518 HydrophobicContact CG1-CG2 3.42Å; V494-I518 VanDerWaalsContact CG1-CG2 3.42Å; P516-I518 PolarHBondContact O-N 2.95Å; I518-C520 PolarHBondContact O-N 2.7Å |
| 519 | S | 40.4 | Very low | 33.6 | Very low | 40 Ų | 40 | 105 Ų | 105 | 28% | 0.28 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 112.8 | 170.5 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | V494 A495 E517 | V494-S519 WeakPolarHBondContact CA-O 3.24Å; A495-S519 PolarHBondContact N-O 2.94Å; A495-S519 WeakPolarHBondContact O-CA 3.17Å; A495-S519 VanDerWaalsContact O-CB 3.27Å; A495-S519 WeakPolarHBondContact O-CB 3.33Å; A495-S519 PolarHBondContact O-N 2.91Å; E517-S519 PolarHBondContact O-N 2.82Å |
| 520 | C | 38.3 | Very low | 33.6 | Very low | 37 Ų | 37 | 108.3 Ų | 108.3 | 25% | 0.25 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 96.7 | 170.2 | -43.2 | 0 | 0 | 0 | 0 | 108.8 | Q483 C484 L493 I518 Y522 | Q483-C520 PolarHBondContact O-SG 2.84Å; Q483-C520 VanDerWaalsContact O-SG 3.35Å; C484-C520 VanDerWaalsContact CA-SG 3.51Å; C484-C520 HydrophobicContact CB-CB 3.74Å; C484-C520 WeakPolarHBondContact CB-SG 3.04Å; C484-C520 WeakPolarHBondContact SG-CB 3.47Å; C484-C520 CovalentContact SG-SG 2.03Å; C484-C520 PolarHBondContact SG-SG 3.31Å; L493-C520 WeakPolarHBondContact O-CA 3.48Å; I518-C520 PolarHBondContact O-N 2.7Å; C520-Y522 HydrophobicContact CB-CD2 4.39Å; C520-Y522 HydrophobicContact CB-CE2 3.46Å; C520-Y522 VanDerWaalsContact CB-CE2 3.46Å; C520-Y522 VanDerWaalsContact O-CD2 3.31Å; C520-Y522 WeakPolarHBondContact O-CD2 3.36Å; C520-Y522 WeakPolarHBondContact O-CE2 3.43Å |
| 521 | E | 46 | Very low | 33.2 | Very low | 67 Ų | 67 | 110.7 Ų | 110.7 | 31% | 0.313 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.9 | -179 | -162.1 | -171.5 | -178.6 | 0 | 0 | 110.4 | N491 R492 L493 R523 | N491-E521 VanDerWaalsContact O-O 3.11Å; R492-E521 CarbonylContact C-O 3.6Å; R492-E521 WeakPolarHBondContact CA-O 3.22Å; L493-E521 HydrophobicContact CB-CB 3.86Å; L493-E521 PolarHBondContact N-O 2.88Å; L493-E521 PolarHBondContact O-N 3.37Å; E521-R523 VanDerWaalsContact CD-NE 3.31Å; E521-R523 HydrophobicContact CG-CG 4.3Å; E521-R523 IonicContact OE1-CZ 2.73Å; E521-R523 IonicContact OE1-NE 2.74Å; E521-R523 PolarHBondContact OE1-NE 3.46Å; E521-R523 IonicContact OE1-NH2 3.83Å; E521-R523 PolarHBondContact OE1-NH2 3.29Å; E521-R523 IonicContact OE2-CZ 3.38Å; E521-R523 IonicContact OE2-NE 3.51Å; E521-R523 IonicContact OE2-NH2 2.64Å |
| 522 | Y | 53.1 | Low | 33.1 | Very low | 73 Ų | 73 | 115.9 Ų | 115.9 | 29% | 0.286 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 99.2 | -177.6 | -61.4 | -87.4 | 0 | 0 | 0 | 110.2 | C484 P485 V487 N491 R492 C520 | C484-Y522 WeakPolarHBondContact CA-OH 3.29Å; P485-Y522 WeakPolarHBondContact O-CE1 3.22Å; P485-Y522 PolarHBondContact O-OH 3.12Å; V487-Y522 HydrophobicContact CB-CD1 4.2Å; V487-Y522 HydrophobicContact CB-CE1 4.49Å; V487-Y522 HydrophobicContact CG2-CD1 4.2Å; V487-Y522 HydrophobicContact CG2-CE1 4.13Å; N491-Y522 WeakPolarHBondContact O-CA 3.45Å; R492-Y522 HydrophobicContact CB-CD1 3.96Å; R492-Y522 HydrophobicContact CB-CE1 3.82Å; R492-Y522 HydrophobicContact CG-CD1 4Å; R492-Y522 HydrophobicContact CG-CE1 3.44Å; R492-Y522 VanDerWaalsContact CG-CE1 3.44Å; C520-Y522 HydrophobicContact CB-CD2 4.39Å; C520-Y522 HydrophobicContact CB-CE2 3.46Å; C520-Y522 VanDerWaalsContact CB-CE2 3.46Å; C520-Y522 VanDerWaalsContact O-CD2 3.31Å; C520-Y522 WeakPolarHBondContact O-CD2 3.36Å; C520-Y522 WeakPolarHBondContact O-CE2 3.43Å |
| 523 | R | 43.3 | Very low | 33 | Very low | 156 Ų | 156 | 113.5 Ų | 113.5 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.2 | -176.7 | -68.5 | -167.9 | 178.7 | -166.9 | 1.8 | 113.4 | T490 N491 E521 | T490-R523 CarbonylContact C-O 3.57Å; T490-R523 VanDerWaalsContact CA-O 3.23Å; T490-R523 WeakPolarHBondContact CA-O 3.36Å; N491-R523 PolarHBondContact N-O 3.08Å; N491-R523 PolarHBondContact O-N 2.79Å; E521-R523 VanDerWaalsContact CD-NE 3.31Å; E521-R523 HydrophobicContact CG-CG 4.3Å; E521-R523 IonicContact OE1-CZ 2.73Å; E521-R523 IonicContact OE1-NE 2.74Å; E521-R523 PolarHBondContact OE1-NE 3.46Å; E521-R523 IonicContact OE1-NH2 3.83Å; E521-R523 PolarHBondContact OE1-NH2 3.29Å; E521-R523 IonicContact OE2-CZ 3.38Å; E521-R523 IonicContact OE2-NE 3.51Å; E521-R523 IonicContact OE2-NH2 2.64Å |
| 524 | E | 44.7 | Very low | 32.8 | Very low | 166 Ų | 166 | 116 Ų | 116 | 78% | 0.776 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.6 | 143.1 | 168.9 | -62.2 | -166.9 | 152.4 | 0 | 0 | 111.8 | K526 | E524-K526 VanDerWaalsContact C-N 3.27Å; E524-K526 PolarHBondContact O-N 2.87Å |
| 525 | A | 41.4 | Very low | 32.7 | Very low | 77 Ų | 77 | 117.9 Ų | 117.9 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -82.1 | 34 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 526 | K | 37.2 | Very low | 32.6 | Very low | 202 Ų | 202 | 123.2 Ų | 123.2 | 88% | 0.878 | 64% | 0.638 | S | S | * | * | trans | -144.2 | 55.5 | -172 | -70 | -167.4 | 176.1 | -178.4 | 0 | 116.7 | E524 | E524-K526 VanDerWaalsContact C-N 3.27Å; E524-K526 PolarHBondContact O-N 2.87Å | ||
| 527 | S | 27.9 | Very low | 32.3 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 66% | 0.657 | S | S | * | * | trans | -157.2 | 146.7 | 153.1 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 528 | E | 26.3 | Very low | 32 | Very low | 196 Ų | 196 | 126.3 Ų | 126.3 | 92% | 0.916 | 66% | 0.661 | S | S | * | * | trans | -92.1 | 135.2 | 174.2 | -63 | 177.5 | 129.9 | 0 | 0 | 109.8 | ||||
| 529 | F | 23.6 | Very low | 31.3 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.803 | 69% | 0.69 | S | S | * | * | trans | -147.3 | 150.9 | 157 | -163.9 | -104 | 0 | 0 | 0 | 111.4 | ||||
| 530 | I | 26.5 | Very low | 30.7 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 141.2 | -169 | -66.2 | 169.9 | 0 | 0 | 0 | 109.5 | N532 | I530-N532 PolarHBondContact O-N 3.41Š|
| 531 | P | 22.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 121.2 | -178.2 | 27.4 | -35.3 | 0 | 0 | 0 | 112.3 | ||
| 532 | N | 22.3 | Very low | 29.5 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 154.7 | 156.7 | -92.2 | -9.8 | 0 | 0 | 0 | 110 | I530 | I530-N532 PolarHBondContact O-N 3.41Š|
| 533 | A | 22.5 | Very low | 28.5 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -58.6 | 156.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 534 | E | 22.6 | Very low | 28.1 | Very low | 189 Ų | 189 | 135.9 Ų | 135.9 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | cis | -135.6 | 163.3 | 29.8 | -66.6 | 173 | 141.1 | 0 | 0 | 114.1 | ||||
| 535 | T | 23.6 | Very low | 27.8 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 90% | 0.896 | 72% | 0.72 | S | S | * | * | trans | -84.1 | 123.8 | -167.9 | 25.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 536 | R | 22.2 | Very low | 27.7 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | trans | -71.6 | 127.5 | 172.8 | -55.7 | 175.9 | -171.6 | 174.7 | 1.1 | 110.8 | S538 | R536-S538 PolarHBondContact O-N 2.93Š| ||
| 537 | I | 23.1 | Very low | 27.6 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -83.4 | 105.8 | 160.1 | -60.2 | 176.2 | 0 | 0 | 0 | 107.2 | ||||
| 538 | S | 23.8 | Very low | 28.2 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | trans | -88.3 | 118.1 | 176.7 | 47.5 | 0 | 0 | 0 | 0 | 111.3 | R536 | R536-S538 PolarHBondContact O-N 2.93Š| ||
| 539 | Q | 25.5 | Very low | 28.7 | Very low | 174 Ų | 174 | 122.4 Ų | 122.4 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | trans | -65.8 | 148.5 | 160.7 | -77.8 | -173.4 | -20 | 0 | 0 | 110.7 | A541 | Q539-A541 PolarHBondContact O-N 2.67Å; Q539-A541 VanDerWaalsContact O-N 3.17Å | ||
| 540 | L | 28.6 | Very low | 29.3 | Very low | 142 Ų | 142 | 117 Ų | 117 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | trans | -76 | 101.2 | -174.5 | -169.3 | 76.8 | 0 | 0 | 0 | 111 | ||||
| 541 | A | 28.7 | Very low | 29.9 | Very low | 58 Ų | 58 | 119.3 Ų | 119.3 | 48% | 0.479 | 66% | 0.657 | S | S | . | * | trans | -86.5 | 125.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V479 Q539 | V479-A541 HydrophobicContact CG2-CB 4.41Å; Q539-A541 PolarHBondContact O-N 2.67Å; Q539-A541 VanDerWaalsContact O-N 3.17Å | ||
| 542 | L | 30.6 | Very low | 30.4 | Very low | 83 Ų | 83 | 115.2 Ų | 115.2 | 44% | 0.435 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 113.3 | 177.5 | -89.8 | 155 | 0 | 0 | 0 | 110.5 | L477 F478 V479 I544 | L477-L542 PolarHBondContact O-N 2.96Å; L477-L542 VanDerWaalsContact O-N 3.17Å; F478-L542 WeakPolarHBondContact CA-O 3.47Å; F478-L542 HydrophobicContact CD1-CB 3.42Å; F478-L542 VanDerWaalsContact CD1-CB 3.42Å; F478-L542 HydrophobicContact CD1-CD1 4.48Å; F478-L542 HydrophobicContact CE1-CB 3.52Å; F478-L542 HydrophobicContact CE1-CD1 3.72Å; F478-L542 HydrophobicContact CE1-CG 4.21Å; F478-L542 HydrophobicContact CG-CB 4.41Å; F478-L542 HydrophobicContact CZ-CD1 4.16Å; V479-L542 PolarHBondContact N-O 2.89Å; V479-L542 VanDerWaalsContact N-O 3.12Å; L542-I544 PolarHBondContact O-N 2.99Å |
| 543 | L | 32.2 | Very low | 31 | Very low | 113 Ų | 113 | 112.6 Ų | 112.6 | 59% | 0.592 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 109.1 | 172.8 | -68.8 | 164.3 | 0 | 0 | 0 | 109.1 | V479 I481 | V479-L543 HydrophobicContact CB-CD2 4.37Å; V479-L543 WeakPolarHBondContact O-CA 3.31Å; I481-L543 HydrophobicContact CB-CD2 4.34Å |
| 544 | I | 34.1 | Very low | 31.8 | Very low | 44 Ų | 44 | 111.2 Ų | 111.2 | 23% | 0.226 | 60% | 0.601 | C | S | . | * | trans | -98 | 144.5 | 171.4 | -29.1 | 178.3 | 0 | 0 | 0 | 109.3 | F478 V479 L542 E546 | F478-I544 HydrophobicContact CB-CD1 3.98Å; F478-I544 HydrophobicContact CB-CG1 4.19Å; F478-I544 HydrophobicContact CD1-CD1 3.47Å; F478-I544 VanDerWaalsContact CD1-CD1 3.47Å; F478-I544 HydrophobicContact CD1-CG1 3.58Å; F478-I544 HydrophobicContact CE1-CD1 4.17Å; F478-I544 HydrophobicContact CE1-CG1 4.41Å; F478-I544 HydrophobicContact CG-CD1 3.92Å; F478-I544 HydrophobicContact CG-CG1 4.28Å; V479-I544 PolarHBondContact O-N 2.82Å; L542-I544 PolarHBondContact O-N 2.99Å; I544-E546 VanDerWaalsContact C-N 3.33Å; I544-E546 WeakPolarHBondContact CB-O 3.25Å; I544-E546 WeakPolarHBondContact CG2-O 3.29Å | ||
| 545 | N | 39.2 | Very low | 32.3 | Very low | 120 Ų | 120 | 107.9 Ų | 107.9 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -74.8 | -23.2 | 176.8 | -135.1 | 37.7 | 0 | 0 | 0 | 112.9 | ||
| 546 | E | 38.4 | Very low | 32.6 | Very low | 134 Ų | 134 | 102.7 Ų | 102.7 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -143.7 | 157.7 | 179.6 | -75.7 | -169.9 | -179.5 | 0 | 0 | 110.8 | I544 T548 | I544-E546 VanDerWaalsContact C-N 3.33Å; I544-E546 WeakPolarHBondContact CB-O 3.25Å; I544-E546 WeakPolarHBondContact CG2-O 3.29Å; E546-T548 PolarHBondContact O-N 2.96Å |
| 547 | P | 34.9 | Very low | 33.2 | Very low | 99 Ų | 99 | 99.6 Ų | 99.6 | 64% | 0.643 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -77.1 | 20.4 | -173.4 | 32.5 | -37.8 | 0 | 0 | 0 | 115.3 | ||
| 548 | T | 40.9 | Very low | 33.3 | Very low | 90 Ų | 90 | 97 Ų | 97 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -97.9 | 132.3 | -179.2 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | E546 | E546-T548 PolarHBondContact O-N 2.96Š|
| 549 | C | 36.2 | Very low | 33.5 | Very low | 33 Ų | 33 | 95.7 Ų | 95.7 | 22% | 0.223 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 138.3 | 174.3 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | F553 C573 | C549-F553 HydrophobicContact CB-CB 4.01Å; C549-F553 VanDerWaalsContact CB-O 3.29Å; C549-F553 WeakPolarHBondContact CB-O 3.39Å; C549-C573 WeakPolarHBondContact CA-SG 3.23Å; C549-C573 HydrophobicContact CB-CB 3.75Å; C549-C573 WeakPolarHBondContact CB-SG 3.49Å; C549-C573 WeakPolarHBondContact SG-CB 3.36Å; C549-C573 CovalentContact SG-SG 2.04Å; C549-C573 PolarHBondContact SG-SG 3.37Å |
| 550 | P | 36.2 | Very low | 33.6 | Very low | 70 Ų | 70 | 92 Ų | 92 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 152.7 | 171.7 | -24.5 | 34.7 | 0 | 0 | 0 | 112.4 | G552 F553 | P550-G552 PolarHBondContact O-N 3.08Å; P550-F553 HydrophobicContact CB-CD2 4.31Å; P550-F553 WeakPolarHBondContact O-CB 3.49Å; P550-F553 PolarHBondContact O-N 3.05Å |
| 551 | I | 39.3 | Very low | 33.5 | Very low | 181 Ų | 181 | 95.6 Ų | 95.6 | 93% | 0.928 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 131.9 | 177.8 | -64.6 | 175.3 | 0 | 0 | 0 | 109.9 | ||
| 552 | G | 34.1 | Very low | 33.4 | Very low | 36 Ų | 36 | 95.9 Ų | 95.9 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | -24.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P550 S575 M576 | P550-G552 PolarHBondContact O-N 3.08Å; G552-S575 CarbonylContact O-C 3.23Å; G552-S575 VanDerWaalsContact O-CA 3.3Å; G552-S575 WeakPolarHBondContact O-CA 3.49Å; G552-M576 PolarHBondContact O-N 2.94Å |
| 553 | F | 35.4 | Very low | 33.2 | Very low | 93 Ų | 93 | 96.3 Ų | 96.3 | 41% | 0.408 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 146.2 | -176.4 | -60.6 | -106.2 | 0 | 0 | 0 | 113.4 | C549 P550 C573 W574 | C549-F553 HydrophobicContact CB-CB 4.01Å; C549-F553 VanDerWaalsContact CB-O 3.29Å; C549-F553 WeakPolarHBondContact CB-O 3.39Å; P550-F553 HydrophobicContact CB-CD2 4.31Å; P550-F553 WeakPolarHBondContact O-CB 3.49Å; P550-F553 PolarHBondContact O-N 3.05Å; F553-C573 HydrophobicContact CB-CB 3.93Å; F553-C573 HydrophobicContact CD1-CB 4.46Å; F553-W574 CarbonylContact C-O 3.5Å; F553-W574 VanDerWaalsContact CA-O 3.29Å; F553-W574 WeakPolarHBondContact CA-O 3.32Å |
| 554 | T | 38.1 | Very low | 33 | Very low | 63 Ų | 63 | 99.9 Ų | 99.9 | 39% | 0.387 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 162 | 178.3 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | C573 W574 M576 | T554-C573 CarbonylContact O-C 3.5Å; T554-C573 WeakPolarHBondContact O-CA 3.45Å; T554-W574 PolarHBondContact N-O 3.12Å; T554-W574 PolarHBondContact O-N 2.92Å; T554-W574 PolarHBondContact OG1-O 2.85Å; T554-M576 HydrophobicContact CG2-CB 4.44Å; T554-M576 HydrophobicContact CG2-CG 3.75Å; T554-M576 WeakPolarHBondContact OG1-CG 3.26Å |
| 555 | K | 33 | Very low | 32.6 | Very low | 118 Ų | 118 | 101.9 Ų | 101.9 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | trans | -68.9 | 135.4 | -176.5 | -77.8 | -175.3 | 167.3 | -175.3 | 0 | 113.4 | S571 L572 | K555-S571 VanDerWaalsContact CE-CB 3.49Å; K555-S571 VanDerWaalsContact CE-OG 3.3Å; K555-S571 WeakPolarHBondContact CE-OG 3.48Å; K555-S571 PolarHBondContact NZ-OG 3.49Å; K555-L572 WeakPolarHBondContact CA-O 3.02Å; K555-L572 WeakPolarHBondContact CG-O 3.36Å | ||
| 556 | T | 31.3 | Very low | 31.9 | Very low | 38 Ų | 38 | 97.5 Ų | 97.5 | 23% | 0.233 | 51% | 0.505 | C | S | . | . | trans | -66.6 | 140.6 | 170.8 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | P475 L572 W574 | P475-T556 HydrophobicContact CG-CG2 3.88Å; T556-L572 HydrophobicContact CG2-CB 4.21Å; T556-L572 WeakPolarHBondContact OG1-CB 3.23Å; T556-W574 HydrophobicContact CG2-CB 3.98Å | ||
| 557 | Q | 32.8 | Very low | 31.2 | Very low | 132 Ų | 132 | 94.6 Ų | 94.6 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | trans | -101 | 103.3 | 169.7 | -68 | -150.8 | -30.4 | 0 | 0 | 111.3 | N1377 | Q557-N1377 PolarHBondContact NE2-O 3.5Å; Q557-N1377 VanDerWaalsContact NE2-O 3.13Å; Q557-N1377 PolarHBondContact OE1-ND2 3.37Å | ||
| 558 | I | 26.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 94.5 Ų | 94.5 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | trans | -97.6 | 141.6 | 169.6 | -63.9 | 177.3 | 0 | 0 | 0 | 109 | ||||
| 559 | S | 27.6 | Very low | 30 | Very low | 77 Ų | 77 | 95.4 Ų | 95.4 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | trans | -65.4 | 145.7 | -173.7 | -177.7 | 0 | 0 | 0 | 0 | 113.7 | R561 V562 | S559-R561 PolarHBondContact O-N 3.24Å; S559-V562 PolarHBondContact O-N 3.33Å | ||
| 560 | R | 28 | Very low | 29.6 | Very low | 95 Ų | 95 | 97.9 Ų | 97.9 | 36% | 0.358 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -12.2 | -168.6 | -65 | -171.7 | -171.3 | 175.6 | 2.5 | 116 | V562 V563 F564 Q1376 H1378 | R560-V562 PolarHBondContact O-N 3.33Å; R560-V563 PolarHBondContact O-N 3.29Å; R560-F564 PolarHBondContact O-N 3.07Å; R560-Q1376 HydrophobicContact CG-CB 3.99Å; R560-Q1376 PolarHBondContact NE-O 3.03Å; R560-Q1376 PolarHBondContact NH2-O 3.4Å; R560-H1378 PolarHBondContact NH2-O 2.84Å |
| 561 | R | 26.1 | Very low | 29.4 | Very low | 219 Ų | 219 | 95.5 Ų | 95.5 | 83% | 0.826 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.3 | -15.4 | 179.8 | -83.4 | -166.4 | 174.6 | -166.9 | -1.6 | 114.9 | S559 | S559-R561 PolarHBondContact O-N 3.24Å |
| 562 | V | 26 | Very low | 29 | Very low | 64 Ų | 64 | 88.2 Ų | 88.2 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -94.5 | -33.5 | 168.7 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | L511 S559 R560 F564 I565 | L511-V562 HydrophobicContact CD2-CG1 4.05Å; L511-V562 HydrophobicContact CD2-CG2 4.12Å; S559-V562 PolarHBondContact O-N 3.33Å; R560-V562 PolarHBondContact O-N 3.33Å; V562-F564 PolarHBondContact O-N 2.8Å; V562-I565 PolarHBondContact O-N 3.33Å |
| 563 | V | 27.5 | Very low | 29 | Very low | 91 Ų | 91 | 86.7 Ų | 86.7 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.8 | -25.4 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | R560 I565 | R560-V563 PolarHBondContact O-N 3.29Å; V563-I565 PolarHBondContact O-N 3.16Å |
| 564 | F | 26.6 | Very low | 28.7 | Very low | 189 Ų | 189 | 90 Ų | 90 | 83% | 0.829 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.1 | -177.7 | -124.9 | -79.8 | 0 | 0 | 0 | 115.5 | R560 V562 | R560-F564 PolarHBondContact O-N 3.07Å; V562-F564 PolarHBondContact O-N 2.8Å |
| 565 | I | 27.1 | Very low | 28.4 | Very low | 85 Ų | 85 | 90.7 Ų | 90.7 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -26.2 | 176.8 | -58.5 | 175.7 | 0 | 0 | 0 | 111.1 | L511 Q512 V562 V563 | L511-I565 HydrophobicContact CB-CD1 4.06Å; L511-I565 HydrophobicContact CD1-CD1 4.4Å; L511-I565 WeakPolarHBondContact O-CG2 3.16Å; Q512-I565 HydrophobicContact CG-CG2 4.23Å; V562-I565 PolarHBondContact O-N 3.33Å; V563-I565 PolarHBondContact O-N 3.16Å |
| 566 | L | 23 | Very low | 28.3 | Very low | 29 Ų | 29 | 90.8 Ų | 90.8 | 15% | 0.152 | 48% | 0.482 | C | S | . | . | trans | -128.2 | 91.9 | -169.2 | -63.9 | 171 | 0 | 0 | 0 | 110.9 | L514 F515 T568 | L514-L566 HydrophobicContact CB-CD1 4.21Å; L514-L566 WeakPolarHBondContact O-CD1 3.24Å; F515-L566 HydrophobicContact CD2-CB 4.47Å; F515-L566 HydrophobicContact CD2-CD2 3.65Å; F515-L566 HydrophobicContact CE1-CB 4.08Å; F515-L566 HydrophobicContact CE2-CB 3.78Å; F515-L566 HydrophobicContact CE2-CD2 3.71Å; F515-L566 HydrophobicContact CE2-CG 4.36Å; F515-L566 HydrophobicContact CG-CD2 4.21Å; F515-L566 HydrophobicContact CZ-CB 3.56Å; F515-L566 HydrophobicContact CZ-CD2 4.3Å; L566-T568 PolarHBondContact O-N 3.2Å | ||
| 567 | G | 25.2 | Very low | 28.2 | Very low | 73 Ų | 73 | 95.6 Ų | 95.6 | 75% | 0.753 | 51% | 0.511 | S | S | * | . | trans | -84.8 | 46 | -167.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 568 | T | 23.8 | Very low | 27.8 | Very low | 96 Ų | 96 | 96.3 Ų | 96.3 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -139.1 | 146.8 | 169.5 | 68.8 | 0 | 0 | 0 | 0 | 112.8 | F515 L566 I570 | F515-T568 WeakPolarHBondContact CE1-OG1 3.2Å; F515-T568 HydrophobicContact CZ-CG2 4.21Å; F515-T568 VanDerWaalsContact CZ-OG1 3.29Å; F515-T568 WeakPolarHBondContact CZ-OG1 3.42Å; L566-T568 PolarHBondContact O-N 3.2Å; T568-I570 PolarHBondContact O-N 2.67Å; T568-I570 VanDerWaalsContact O-N 3.11Å |
| 569 | S | 26.2 | Very low | 27.5 | Very low | 110 Ų | 110 | 100.6 Ų | 100.6 | 77% | 0.769 | 53% | 0.528 | S | S | * | . | trans | -89.5 | 68.6 | -164.7 | 52.6 | 0 | 0 | 0 | 0 | 114.8 | S571 | S569-S571 PolarHBondContact O-N 3.38Å; S569-S571 PolarHBondContact O-OG 3.31Å; S569-S571 VanDerWaalsContact O-OG 3.12Å | ||
| 570 | I | 27.3 | Very low | 27.2 | Very low | 84 Ų | 84 | 106.5 Ų | 106.5 | 43% | 0.431 | 55% | 0.545 | S | S | . | . | trans | -54.7 | 131.6 | 167.7 | -61.1 | 177.1 | 0 | 0 | 0 | 109.6 | T568 | T568-I570 PolarHBondContact O-N 2.67Å; T568-I570 VanDerWaalsContact O-N 3.11Å | ||
| 571 | S | 32.6 | Very low | 26.8 | Very low | 21 Ų | 21 | 111.5 Ų | 111.5 | 15% | 0.147 | 57% | 0.569 | C | S | . | * | trans | -115.8 | 83.1 | -167.9 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | K555 S569 | K555-S571 VanDerWaalsContact CE-CB 3.49Å; K555-S571 VanDerWaalsContact CE-OG 3.3Å; K555-S571 WeakPolarHBondContact CE-OG 3.48Å; K555-S571 PolarHBondContact NZ-OG 3.49Å; S569-S571 PolarHBondContact O-N 3.38Å; S569-S571 PolarHBondContact O-OG 3.31Å; S569-S571 VanDerWaalsContact O-OG 3.12Å | ||
| 572 | L | 30.3 | Very low | 26.7 | Very low | 27 Ų | 27 | 107.5 Ų | 107.5 | 14% | 0.141 | 56% | 0.563 | C | S | . | * | trans | -73 | 153.1 | 173.2 | -64.2 | 173.3 | 0 | 0 | 0 | 111.9 | P476 L477 F478 K555 T556 | P476-L572 VanDerWaalsContact O-CD2 3.27Å; P476-L572 WeakPolarHBondContact O-CD2 3.03Å; L477-L572 HydrophobicContact CD1-CD2 4.04Å; L477-L572 HydrophobicContact CG-CD2 4.39Å; F478-L572 HydrophobicContact CD2-CD2 4.5Å; K555-L572 WeakPolarHBondContact CA-O 3.02Å; K555-L572 WeakPolarHBondContact CG-O 3.36Å; T556-L572 HydrophobicContact CG2-CB 4.21Å; T556-L572 WeakPolarHBondContact OG1-CB 3.23Å | ||
| 573 | C | 33.9 | Very low | 26.5 | Very low | 4 Ų | 4 | 109.6 Ų | 109.6 | 3% | 0.027 | 57% | 0.572 | C | S | . | * | trans | -137.1 | 132.3 | -175.1 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | F478 C549 F553 T554 | F478-C573 HydrophobicContact CD2-CB 4.39Å; F478-C573 HydrophobicContact CE2-CB 3.73Å; F478-C573 HydrophobicContact CZ-CB 3.91Å; C549-C573 WeakPolarHBondContact CA-SG 3.23Å; C549-C573 HydrophobicContact CB-CB 3.75Å; C549-C573 WeakPolarHBondContact CB-SG 3.49Å; C549-C573 WeakPolarHBondContact SG-CB 3.36Å; C549-C573 CovalentContact SG-SG 2.04Å; C549-C573 PolarHBondContact SG-SG 3.37Å; F553-C573 HydrophobicContact CB-CB 3.93Å; F553-C573 HydrophobicContact CD1-CB 4.46Å; T554-C573 CarbonylContact O-C 3.5Å; T554-C573 WeakPolarHBondContact O-CA 3.45Å | ||
| 574 | W | 28.9 | Very low | 26.3 | Very low | 162 Ų | 162 | 108.4 Ų | 108.4 | 61% | 0.614 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -143.8 | 145.2 | -170.4 | -166.1 | 48.5 | 0 | 0 | 0 | 113.5 | F553 T554 T556 | F553-W574 CarbonylContact C-O 3.5Å; F553-W574 VanDerWaalsContact CA-O 3.29Å; F553-W574 WeakPolarHBondContact CA-O 3.32Å; T554-W574 PolarHBondContact N-O 3.12Å; T554-W574 PolarHBondContact O-N 2.92Å; T554-W574 PolarHBondContact OG1-O 2.85Å; T556-W574 HydrophobicContact CG2-CB 3.98Å |
| 575 | S | 33.1 | Very low | 26 | Very low | 79 Ų | 79 | 102.8 Ų | 102.8 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135.4 | -161.2 | -171 | 0 | 0 | 0 | 0 | 115.2 | G552 | G552-S575 CarbonylContact O-C 3.23Å; G552-S575 VanDerWaalsContact O-CA 3.3Å; G552-S575 WeakPolarHBondContact O-CA 3.49Å |
| 576 | M | 29.8 | Very low | 25.9 | Very low | 120 Ų | 120 | 102.7 Ų | 102.7 | 59% | 0.591 | 55% | 0.551 | S | S | * | * | trans | -121.5 | 96.7 | -177.6 | -77.9 | -82.1 | -79.2 | 0 | 0 | 111.8 | G552 T554 | G552-M576 PolarHBondContact O-N 2.94Å; T554-M576 HydrophobicContact CG2-CB 4.44Å; T554-M576 HydrophobicContact CG2-CG 3.75Å; T554-M576 WeakPolarHBondContact OG1-CG 3.26Å | ||
| 577 | T | 30.7 | Very low | 25.8 | Very low | 138 Ų | 138 | 106.1 Ų | 106.1 | 85% | 0.847 | 56% | 0.563 | S | S | * | * | trans | 174.6 | 98.4 | 140.8 | 34 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 578 | N | 23.5 | Very low | 25.7 | Very low | 147 Ų | 147 | 112.8 Ų | 112.8 | 79% | 0.786 | 57% | 0.565 | S | S | * | * | trans | -104.6 | 113.9 | 174 | -135.2 | -33.5 | 0 | 0 | 0 | 107.9 | ||||
| 579 | R | 20.4 | Very low | 25.9 | Very low | 203 Ų | 203 | 115.6 Ų | 115.6 | 77% | 0.766 | 58% | 0.576 | S | S | * | * | trans | 76.5 | 145.8 | -173.3 | -45 | 151.2 | -162.2 | -160.1 | 3.5 | 111.9 | ||||
| 580 | F | 20.5 | Very low | 26 | Very low | 201 Ų | 201 | 114.8 Ų | 114.8 | 88% | 0.882 | 56% | 0.561 | S | S | * | * | cis | -127.5 | 177.9 | 21 | -74.7 | -97.4 | 0 | 0 | 0 | 114.2 | ||||
| 581 | K | 19.9 | Very low | 26.1 | Very low | 199 Ų | 199 | 116.8 Ų | 116.8 | 87% | 0.865 | 57% | 0.571 | S | S | * | * | trans | -79.5 | 169.4 | -179.1 | -78.9 | -174.5 | 168.8 | -171.1 | 0 | 113.9 | ||||
| 582 | L | 24.1 | Very low | 26 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 71% | 0.712 | 60% | 0.597 | S | S | * | * | trans | -147.5 | 121.9 | -169.5 | -169.3 | 85.8 | 0 | 0 | 0 | 112 | ||||
| 583 | D | 21.5 | Very low | 26.2 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 57% | 0.572 | 63% | 0.627 | S | S | * | * | trans | -136.6 | 166.6 | -166.3 | -69.2 | 7.1 | 0 | 0 | 0 | 114.8 | I667 N668 | D583-I667 HydrophobicContact CB-CG1 3.8Å; D583-N668 VanDerWaalsContact C-N 3.31Å; D583-N668 WeakPolarHBondContact O-CB 3.32Å | ||
| 584 | D | 23.5 | Very low | 26.3 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 36% | 0.358 | 64% | 0.637 | S | S | . | * | trans | 76.8 | 88.7 | -172 | -138.8 | -30.1 | 0 | 0 | 0 | 126.2 | K666 I667 N668 | D584-K666 VanDerWaalsContact CA-C 3.46Å; D584-K666 VanDerWaalsContact CA-O 3.25Å; D584-K666 WeakPolarHBondContact CA-O 3.42Å; D584-K666 HydrophobicContact CB-CB 4.44Å; D584-K666 PolarHBondContact N-O 2.97Å; D584-K666 WeakPolarHBondContact OD1-CA 3.47Å; D584-K666 WeakPolarHBondContact OD1-CB 3.2Å; D584-K666 VanDerWaalsContact OD1-CG 3.22Å; D584-K666 WeakPolarHBondContact OD1-CG 3.14Å; D584-K666 IonicContact OD1-NZ 3.24Å; D584-K666 IonicContact OD2-NZ 3.49Å; D584-K666 PolarHBondContact OD2-NZ 3.49Å; D584-I667 VanDerWaalsContact C-C 3.47Å; D584-N668 VanDerWaalsContact N-N 3.12Å; D584-N668 VanDerWaalsContact O-CA 3.25Å; D584-N668 WeakPolarHBondContact O-CA 3.1Å; D584-N668 WeakPolarHBondContact O-CB 3.27Å; D584-N668 PolarHBondContact O-ND2 3.26Å; D584-N668 VanDerWaalsContact O-ND2 3.15Å; D584-N668 PolarHBondContact O-OD1 2.83Å | ||
| 585 | T | 21.3 | Very low | 26.9 | Very low | 70 Ų | 70 | 125.7 Ų | 125.7 | 43% | 0.429 | 64% | 0.639 | S | S | . | * | trans | -51.9 | 136.7 | -170.2 | 34.4 | 0 | 0 | 0 | 0 | 118.5 | K666 I667 | T585-K666 WeakPolarHBondContact OG1-CA 3.01Å; T585-K666 PolarHBondContact OG1-N 3.39Å; T585-I667 VanDerWaalsContact CA-C 3.48Å; T585-I667 WeakPolarHBondContact CA-O 3.36Å; T585-I667 WeakPolarHBondContact CB-O 3.25Å; T585-I667 WeakPolarHBondContact CG2-O 3.26Å; T585-I667 PolarHBondContact N-O 2.89Å | ||
| 586 | S | 23.6 | Very low | 27.2 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | 166.4 | 95.3 | 109.1 | -179.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 587 | Y | 21.8 | Very low | 27.8 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 40% | 0.396 | 62% | 0.623 | S | S | . | * | trans | -139.4 | 56.5 | 166 | -116.3 | -114.2 | 0 | 0 | 0 | 112.5 | N589 Q590 Y669 Q670 | Y587-N589 PolarHBondContact O-N 2.73Å; Y587-Q590 HydrophobicContact CD1-CB 4.3Å; Y587-Q590 HydrophobicContact CD1-CG 3.88Å; Y587-Q590 VanDerWaalsContact CE1-CD 3.44Å; Y587-Q590 HydrophobicContact CE1-CG 3.94Å; Y587-Y669 WeakPolarHBondContact CB-O 3.05Å; Y587-Q670 HydrophobicContact CD1-CG 4.3Å; Y587-Q670 HydrophobicContact CD2-CG 3.53Å; Y587-Q670 HydrophobicContact CE2-CG 3.91Å; Y587-Q670 HydrophobicContact CG-CG 3.77Å | ||
| 588 | R | 23.2 | Very low | 28.3 | Very low | 213 Ų | 213 | 121.4 Ų | 121.4 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -8.1 | -177.1 | -159.9 | 169.2 | -178.2 | 171 | -1.3 | 114.5 | ||
| 589 | N | 26.9 | Very low | 29.2 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 82% | 0.824 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 20.8 | -166.1 | -65.7 | 2.6 | 0 | 0 | 0 | 115.1 | Y587 | Y587-N589 PolarHBondContact O-N 2.73Š|
| 590 | Q | 29.3 | Very low | 30.2 | Very low | 94 Ų | 94 | 111.4 Ų | 111.4 | 44% | 0.439 | 57% | 0.567 | S | S | . | * | trans | -118.6 | 1.3 | 176.9 | -79.7 | -159.2 | -19.6 | 0 | 0 | 116.1 | Y587 P592 | Y587-Q590 HydrophobicContact CD1-CB 4.3Å; Y587-Q590 HydrophobicContact CD1-CG 3.88Å; Y587-Q590 VanDerWaalsContact CE1-CD 3.44Å; Y587-Q590 HydrophobicContact CE1-CG 3.94Å; Q590-P592 VanDerWaalsContact O-CD 3.3Å; Q590-P592 WeakPolarHBondContact O-CD 3.21Å | ||
| 591 | L | 29.9 | Very low | 31 | Very low | 125 Ų | 125 | 107.9 Ų | 107.9 | 65% | 0.654 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -74.4 | 118.7 | 168.6 | -83.8 | 160.6 | 0 | 0 | 0 | 109.7 | I593 | L591-I593 PolarHBondContact O-N 2.85Š|
| 592 | P | 30.3 | Very low | 31.7 | Very low | 105 Ų | 105 | 104.2 Ų | 104.2 | 68% | 0.682 | 54% | 0.543 | S | S | * | . | trans | -67.9 | 133.9 | -177.4 | -21.4 | 34.7 | 0 | 0 | 0 | 112.4 | Q590 G594 | Q590-P592 VanDerWaalsContact O-CD 3.3Å; Q590-P592 WeakPolarHBondContact O-CD 3.21Å; P592-G594 PolarHBondContact O-N 2.67Å; P592-G594 VanDerWaalsContact O-N 3.16Å | ||
| 593 | I | 34.6 | Very low | 32 | Very low | 153 Ų | 153 | 99.6 Ų | 99.6 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | trans | -67.3 | 110.1 | 177.1 | -61.1 | 167.7 | 0 | 0 | 0 | 109 | L591 N650 | L591-I593 PolarHBondContact O-N 2.85Å; I593-N650 WeakPolarHBondContact CG2-OD1 3.44Å | ||
| 594 | G | 34.8 | Very low | 32.4 | Very low | 23 Ų | 23 | 100.8 Ų | 100.8 | 24% | 0.237 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -172.8 | 169.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P592 Y596 S648 | P592-G594 PolarHBondContact O-N 2.67Å; P592-G594 VanDerWaalsContact O-N 3.16Å; G594-Y596 VanDerWaalsContact O-CD1 3.29Å; G594-Y596 WeakPolarHBondContact O-CD1 3.45Å; G594-Y596 PolarHBondContact O-N 2.03Å; G594-S648 WeakPolarHBondContact O-CB 3.44Å; G594-S648 PolarHBondContact O-OG 3.38Å |
| 595 | N | 43 | Very low | 32.6 | Very low | 120 Ų | 120 | 103.7 Ų | 103.7 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | trans | -85.2 | 98.8 | -178.3 | -64.1 | 0.1 | 0 | 0 | 0 | 110.1 | S648 N650 | N595-S648 WeakPolarHBondContact CA-O 3.12Å; N595-N650 PolarHBondContact OD1-N 2.67Å | ||
| 596 | Y | 39.3 | Very low | 32.8 | Very low | 84 Ų | 84 | 109.2 Ų | 109.2 | 33% | 0.329 | 56% | 0.564 | S | S | . | * | trans | -133.7 | 156.8 | 175.7 | 63.4 | -96 | 0 | 0 | 0 | 110.8 | G594 L598 L629 C647 S648 | G594-Y596 VanDerWaalsContact O-CD1 3.29Å; G594-Y596 WeakPolarHBondContact O-CD1 3.45Å; G594-Y596 PolarHBondContact O-N 2.03Å; Y596-L598 HydrophobicContact CD2-CD2 4.34Å; Y596-L598 HydrophobicContact CD2-CG 4.23Å; Y596-L598 HydrophobicContact CE2-CD1 4.26Å; Y596-L598 HydrophobicContact CE2-CD2 4.39Å; Y596-L598 HydrophobicContact CE2-CG 4.11Å; Y596-L629 HydrophobicContact CE2-CD2 4.24Å; Y596-C647 CarbonylContact O-C 3.57Å; Y596-C647 VanDerWaalsContact O-CA 3.3Å; Y596-C647 WeakPolarHBondContact O-CA 3.44Å; Y596-S648 PolarHBondContact O-N 2.75Å | ||
| 597 | C | 41.6 | Very low | 32.9 | Very low | 73 Ų | 73 | 110.6 Ų | 110.6 | 49% | 0.493 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.4 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 111 | C646 C647 | C597-C646 CarbonylContact C-O 3.59Å; C597-C646 WeakPolarHBondContact CA-O 3.05Å; C597-C647 HydrophobicContact CB-CB 4.13Å; C597-C647 WeakPolarHBondContact CB-SG 3.23Å; C597-C647 WeakPolarHBondContact SG-CB 3.48Å; C597-C647 CovalentContact SG-SG 2.04Å; C597-C647 PolarHBondContact SG-SG 2.86Å |
| 598 | L | 41.1 | Very low | 33 | Very low | 90 Ų | 90 | 115.4 Ų | 115.4 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.4 | 173.8 | -61.1 | 174.3 | 0 | 0 | 0 | 110 | Y596 L629 L645 C646 | Y596-L598 HydrophobicContact CD2-CD2 4.34Å; Y596-L598 HydrophobicContact CD2-CG 4.23Å; Y596-L598 HydrophobicContact CE2-CD1 4.26Å; Y596-L598 HydrophobicContact CE2-CD2 4.39Å; Y596-L598 HydrophobicContact CE2-CG 4.11Å; L598-L629 HydrophobicContact CD1-CD1 4.07Å; L598-L645 CarbonylContact O-C 3.55Å; L598-L645 VanDerWaalsContact O-CA 3.3Å; L598-L645 WeakPolarHBondContact O-CA 3.45Å; L598-C646 PolarHBondContact N-O 2.78Å; L598-C646 PolarHBondContact O-N 3.33Å |
| 599 | I | 41.5 | Very low | 33 | Very low | 123 Ų | 123 | 110 Ų | 110 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.2 | 173.9 | -58.5 | 168.8 | 0 | 0 | 0 | 108.7 | L643 L645 | I599-L643 HydrophobicContact CG2-CD2 4.2Å; I599-L643 HydrophobicContact CG2-CG 4.33Å; I599-L645 HydrophobicContact CB-CD2 4.38Å; I599-L645 HydrophobicContact CG1-CD2 3.67Å |
| 600 | T | 42.1 | Very low | 32.8 | Very low | 17 Ų | 17 | 110.3 Ų | 110.3 | 10% | 0.104 | 58% | 0.583 | C | S | . | * | trans | -92 | 124.4 | 178.3 | 63 | 0 | 0 | 0 | 0 | 112 | H602 Y623 K644 | T600-H602 PolarHBondContact O-N 3.09Å; T600-Y623 HydrophobicContact CG2-CD1 3.97Å; T600-Y623 HydrophobicContact CG2-CE1 3.62Å; T600-K644 PolarHBondContact N-O 2.68Å; T600-K644 VanDerWaalsContact N-O 3.15Å; T600-K644 VanDerWaalsContact OG1-CB 3.27Å; T600-K644 WeakPolarHBondContact OG1-CB 3.4Å; T600-K644 PolarHBondContact OG1-O 2.75Å | ||
| 601 | D | 38.3 | Very low | 32.5 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 68% | 0.684 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -48.3 | -32.3 | 179.1 | -175.8 | 44.3 | 0 | 0 | 0 | 114.7 | S603 L604 | D601-S603 PolarHBondContact O-N 3.19Å; D601-L604 PolarHBondContact O-N 2.69Å |
| 602 | H | 34.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 113.4 Ų | 113.4 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -66.8 | -6.2 | -167.6 | -138.9 | -51.9 | 0 | 0 | 0 | 116.2 | T600 L604 | T600-H602 PolarHBondContact O-N 3.09Å; H602-L604 VanDerWaalsContact C-N 3.32Å |
| 603 | S | 29.8 | Very low | 31.7 | Very low | 39 Ų | 39 | 117.2 Ų | 117.2 | 27% | 0.273 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -73.4 | -14.4 | 174.9 | -80.2 | 0 | 0 | 0 | 0 | 114.4 | D601 R642 | D601-S603 PolarHBondContact O-N 3.19Å; S603-R642 PolarHBondContact OG-O 3.01Å |
| 604 | L | 29.4 | Very low | 31.1 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -87 | -22.7 | -174.9 | -80.3 | 159.5 | 0 | 0 | 0 | 115.1 | D601 H602 Q606 | D601-L604 PolarHBondContact O-N 2.69Å; H602-L604 VanDerWaalsContact C-N 3.32Å; L604-Q606 PolarHBondContact O-N 3.49Å |
| 605 | N | 28.6 | Very low | 30.6 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 68% | 0.679 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 17.9 | -167.6 | -81.6 | -24.6 | 0 | 0 | 0 | 116.2 | ||
| 606 | Q | 25.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 123 Ų | 123 | 87% | 0.869 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 6.4 | 176.9 | -71.3 | -155.4 | -43.8 | 0 | 0 | 115 | L604 | L604-Q606 PolarHBondContact O-N 3.49Š|
| 607 | I | 25 | Very low | 28.8 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 59% | 0.585 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -91.9 | 116.4 | 176.4 | -61.5 | 177.2 | 0 | 0 | 0 | 109.8 | ||
| 608 | K | 24 | Very low | 28.1 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 87% | 0.874 | 68% | 0.684 | S | S | * | * | trans | 75.3 | 79 | 178.5 | -60.8 | 173.9 | 180 | 178.9 | 0 | 117.1 | ||||
| 609 | S | 23.3 | Very low | 27.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | -124.9 | 100.4 | 146.2 | 62.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 610 | N | 24 | Very low | 26.4 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | trans | -145.4 | 35.1 | 173.9 | -124.9 | 10.5 | 0 | 0 | 0 | 113.4 | ||||
| 611 | V | 22.2 | Very low | 25.7 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | trans | -123.2 | 100.3 | 147.7 | 178.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 612 | L | 21.6 | Very low | 25.4 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | -94.4 | 128.8 | 168.1 | -85.3 | 159 | 0 | 0 | 0 | 108.2 | ||||
| 613 | Q | 21.8 | Very low | 25.6 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -116.4 | 144 | 138.1 | -81.3 | -167.8 | -23.3 | 0 | 0 | 107.8 | S615 | Q613-S615 PolarHBondContact O-N 2.88Š| ||
| 614 | E | 21.5 | Very low | 26.3 | Very low | 146 Ų | 146 | 158 Ų | 158 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -97.6 | 98.3 | -156.8 | -65.8 | -176.5 | 85.3 | 0 | 0 | 113.6 | K617 | E614-K617 IonicContact OE1-NZ 2.84Å; E614-K617 PolarHBondContact OE1-NZ 3.13Å | ||
| 615 | S | 24.1 | Very low | 26.9 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -165.2 | 84.2 | 158.7 | 32.7 | 0 | 0 | 0 | 0 | 112.3 | Q613 | Q613-S615 PolarHBondContact O-N 2.88Š| ||
| 616 | D | 24.3 | Very low | 27.6 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | 171.3 | 74 | 130 | -90.1 | 2.4 | 0 | 0 | 0 | 111.2 | E618 | D616-E618 PolarHBondContact O-N 2.58Š| |||
| 617 | K | 21.1 | Very low | 28.4 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -70.2 | 109.3 | 161.5 | -65.3 | 160.5 | -174.8 | 155.7 | 0 | 106.9 | E614 | E614-K617 IonicContact OE1-NZ 2.84Å; E614-K617 PolarHBondContact OE1-NZ 3.13Å | ||
| 618 | E | 25.6 | Very low | 29.4 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | 178.8 | -26.2 | 135.3 | -103.4 | 172.3 | -163.5 | 0 | 0 | 116.8 | D616 R620 | D616-E618 PolarHBondContact O-N 2.58Å; E618-R620 PolarHBondContact O-N 2.03Å | ||
| 619 | K | 24.3 | Very low | 30.4 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -77.3 | 66.7 | -176.2 | -73 | -177.8 | 179.9 | 171.5 | 0 | 113.9 | Y621 | K619-Y621 PolarHBondContact O-N 2.77Å; K619-Y621 VanDerWaalsContact O-N 3.1Å | ||
| 620 | R | 22.7 | Very low | 31.9 | Very low | 223 Ų | 223 | 139.8 Ų | 139.8 | 84% | 0.842 | 68% | 0.684 | S | S | * | * | trans | -62.6 | 102.3 | 162.9 | -73.2 | -177.7 | 175.4 | 176.3 | -0.4 | 109.4 | E618 N622 | E618-R620 PolarHBondContact O-N 2.03Å; R620-N622 VanDerWaalsContact C-N 3.27Å; R620-N622 PolarHBondContact O-N 2.78Å | ||
| 621 | Y | 28.7 | Very low | 33.3 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | trans | -69.7 | 86.6 | 168.2 | -74.6 | -78.9 | 0 | 0 | 0 | 110.3 | K619 Y623 | K619-Y621 PolarHBondContact O-N 2.77Å; K619-Y621 VanDerWaalsContact O-N 3.1Å; Y621-Y623 VanDerWaalsContact C-N 3.26Å; Y621-Y623 PolarHBondContact O-N 3.26Å | ||
| 622 | N | 32.4 | Very low | 34.6 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | trans | -64.5 | 87.4 | 166 | -85.6 | -20.9 | 0 | 0 | 0 | 108.9 | R620 K624 | R620-N622 VanDerWaalsContact C-N 3.27Å; R620-N622 PolarHBondContact O-N 2.78Å; N622-K624 VanDerWaalsContact C-N 3.32Å; N622-K624 PolarHBondContact O-N 2.88Å | ||
| 623 | Y | 38.3 | Very low | 36 | Very low | 141 Ų | 141 | 125 Ų | 125 | 55% | 0.553 | 60% | 0.598 | S | S | * | * | trans | -64.4 | 94.4 | 170.1 | -170 | -86.5 | 0 | 0 | 0 | 109 | T600 Y621 | T600-Y623 HydrophobicContact CG2-CD1 3.97Å; T600-Y623 HydrophobicContact CG2-CE1 3.62Å; Y621-Y623 VanDerWaalsContact C-N 3.26Å; Y621-Y623 PolarHBondContact O-N 3.26Å | ||
| 624 | K | 44.3 | Very low | 37.1 | Very low | 176 Ų | 176 | 118 Ų | 118 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 137.5 | 166.9 | -68.3 | -177.9 | 177.2 | -179.1 | 0 | 108.1 | N622 | N622-K624 VanDerWaalsContact C-N 3.32Å; N622-K624 PolarHBondContact O-N 2.88Å |
| 625 | C | 41 | Very low | 38 | Very low | 21 Ų | 21 | 112.2 Ų | 112.2 | 14% | 0.142 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 144.4 | 168.6 | -67.8 | 0 | 0 | 0 | 0 | 110.9 | L629 C646 | C625-L629 HydrophobicContact CB-CB 4.07Å; C625-L629 VanDerWaalsContact CB-O 3.23Å; C625-L629 WeakPolarHBondContact CB-O 3.41Å; C625-C646 WeakPolarHBondContact CA-SG 2.81Å; C625-C646 HydrophobicContact CB-CB 3.7Å; C625-C646 WeakPolarHBondContact CB-SG 3.3Å; C625-C646 WeakPolarHBondContact SG-CA 3.36Å; C625-C646 WeakPolarHBondContact SG-CB 3.37Å; C625-C646 CovalentContact SG-SG 2.04Å; C625-C646 PolarHBondContact SG-SG 2.88Å |
| 626 | P | 43.6 | Very low | 38.9 | Very low | 65 Ų | 65 | 110.5 Ų | 110.5 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 145.6 | 173.5 | -28.4 | 33.9 | 0 | 0 | 0 | 112.6 | G628 L629 | P626-G628 PolarHBondContact O-N 3.25Å; P626-L629 HydrophobicContact CB-CD1 4.13Å; P626-L629 HydrophobicContact CG-CD1 4.08Å; P626-L629 WeakPolarHBondContact O-CB 3.09Å; P626-L629 PolarHBondContact O-N 3.38Å |
| 627 | Q | 43 | Very low | 39.5 | Very low | 198 Ų | 198 | 105.3 Ų | 105.3 | 93% | 0.925 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 120.1 | -177.5 | -160.7 | 174.3 | 13.1 | 0 | 0 | 110.6 | ||
| 628 | G | 44.8 | Very low | 40.3 | Very low | 64 Ų | 64 | 105.1 Ų | 105.1 | 66% | 0.66 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.6 | -16.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P626 | P626-G628 PolarHBondContact O-N 3.25Š|
| 629 | L | 46.5 | Very low | 40.8 | Very low | 27 Ų | 27 | 101.4 Ų | 101.4 | 14% | 0.141 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.9 | 174.8 | -57.8 | 177.3 | 0 | 0 | 0 | 110.9 | Y596 L598 C625 P626 C646 C647 S648 | Y596-L629 HydrophobicContact CE2-CD2 4.24Å; L598-L629 HydrophobicContact CD1-CD1 4.07Å; C625-L629 HydrophobicContact CB-CB 4.07Å; C625-L629 VanDerWaalsContact CB-O 3.23Å; C625-L629 WeakPolarHBondContact CB-O 3.41Å; P626-L629 HydrophobicContact CB-CD1 4.13Å; P626-L629 HydrophobicContact CG-CD1 4.08Å; P626-L629 WeakPolarHBondContact O-CB 3.09Å; P626-L629 PolarHBondContact O-N 3.38Å; L629-C646 HydrophobicContact CB-CB 4.02Å; L629-C646 HydrophobicContact CD1-CB 4.05Å; L629-C647 CarbonylContact C-O 3.45Å; L629-C647 WeakPolarHBondContact CA-O 3.49Å; L629-S648 VanDerWaalsContact CD2-N 3.33Å |
| 630 | R | 54.1 | Low | 41.5 | Very low | 102 Ų | 102 | 95.2 Ų | 95.2 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 143.5 | 173.6 | -67.5 | -178.6 | 175.4 | -175.3 | -2 | 111.2 | C646 C647 D721 | R630-C646 CarbonylContact O-C 3.52Å; R630-C646 WeakPolarHBondContact O-CA 3.43Å; R630-C647 PolarHBondContact N-O 2.83Å; R630-C647 PolarHBondContact O-N 2.84Å; R630-D721 IonicContact NH1-OD1 3.08Å; R630-D721 PolarHBondContact NH1-OD1 3.18Å; R630-D721 IonicContact NH1-OD2 2.73Å; R630-D721 PolarHBondContact NH1-OD2 3.01Å; R630-D721 VanDerWaalsContact NH1-OD2 3.09Å |
| 631 | Q | 53.1 | Low | 42.4 | Very low | 78 Ų | 78 | 90.7 Ų | 90.7 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.8 | 173.6 | -174.1 | 179 | -32.6 | 0 | 0 | 110.8 | E633 L645 | Q631-E633 PolarHBondContact NE2-OE1 3.02Å; Q631-L645 WeakPolarHBondContact CA-O 3.3Å |
| 632 | N | 49.9 | Very low | 43.1 | Very low | 26 Ų | 26 | 88 Ų | 88 | 14% | 0.139 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.2 | 169.5 | -75.1 | -37.1 | 0 | 0 | 0 | 109.2 | L645 C647 G719 P720 | N632-L645 HydrophobicContact CB-CB 4.24Å; N632-L645 PolarHBondContact N-O 2.73Å; N632-L645 WeakPolarHBondContact O-CB 3.47Å; N632-L645 PolarHBondContact O-N 2.83Å; N632-C647 PolarHBondContact ND2-SG 3.38Å; N632-G719 WeakPolarHBondContact OD1-CA 3.27Å; N632-P720 WeakPolarHBondContact OD1-CD 3.04Å |
| 633 | E | 50 | Low | 43.8 | Very low | 30 Ų | 30 | 84.2 Ų | 84.2 | 14% | 0.14 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.1 | 176.7 | -76.4 | 177.8 | -144.7 | 0 | 0 | 112.2 | Q631 L643 K644 I718 | Q631-E633 PolarHBondContact NE2-OE1 3.02Å; E633-L643 CarbonylContact C-O 3.53Å; E633-L643 VanDerWaalsContact CA-O 3.25Å; E633-L643 WeakPolarHBondContact CA-O 3.14Å; E633-K644 HydrophobicContact CG-CG 3.57Å; E633-K644 WeakPolarHBondContact OE1-CE 3.21Å; E633-K644 IonicContact OE1-NZ 3.29Å; E633-I718 HydrophobicContact CB-CB 4.15Å; E633-I718 PolarHBondContact N-O 3.18Å; E633-I718 PolarHBondContact O-N 3.34Å |
| 634 | I | 45.4 | Very low | 44.3 | Very low | 36 Ų | 36 | 81.8 Ų | 81.8 | 19% | 0.185 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123 | 169.1 | -58.5 | 175.1 | 0 | 0 | 0 | 107.9 | F636 R642 L643 L645 I715 L717 | I634-F636 HydrophobicContact CB-CE2 4.35Å; I634-F636 HydrophobicContact CG2-CD2 4.27Å; I634-F636 HydrophobicContact CG2-CE1 4.23Å; I634-F636 HydrophobicContact CG2-CE2 3.68Å; I634-F636 HydrophobicContact CG2-CZ 3.66Å; I634-R642 CarbonylContact O-C 3.22Å; I634-R642 WeakPolarHBondContact O-CA 3.29Å; I634-L643 HydrophobicContact CB-CB 4.21Å; I634-L643 PolarHBondContact N-O 2.81Å; I634-L643 PolarHBondContact O-N 3.37Å; I634-L645 HydrophobicContact CD1-CD1 3.92Å; I634-L645 HydrophobicContact CG1-CD1 4.03Å; I634-I715 HydrophobicContact CG2-CG2 3.64Å; I634-L717 HydrophobicContact CG1-CD2 3.78Å |
| 635 | H | 41.3 | Very low | 44.5 | Very low | 25 Ų | 25 | 74.5 Ų | 74.5 | 12% | 0.116 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.7 | -177.5 | -176.3 | -141.5 | 0 | 0 | 0 | 109.8 | V637 Y641 R642 E716 I718 | H635-V637 PolarHBondContact O-N 3.19Å; H635-Y641 WeakPolarHBondContact CA-O 3.27Å; H635-R642 HydrophobicContact CB-CG 4.39Å; H635-R642 VanDerWaalsContact CD2-CG 3.44Å; H635-R642 WeakPolarHBondContact CD2-CG 3.4Å; H635-R642 PolarHBondContact CD2-NE 2.83Å; H635-R642 PolarHBondContact CE1-NH2 3.08Å; H635-R642 PolarHBondContact NE2-NE 3.26Å; H635-R642 VanDerWaalsContact NE2-NE 3.16Å; H635-R642 PolarHBondContact NE2-NH2 2.89Å; H635-E716 HydrophobicContact CB-CB 3.97Å; H635-E716 IonicContact CE1-OE2 3.9Å; H635-E716 IonicContact CG-OE2 2.61Å; H635-E716 PolarHBondContact N-O 3.07Å; H635-E716 IonicContact ND1-OE2 3.89Å; H635-E716 PolarHBondContact ND1-OE2 2.92Å; H635-E716 PolarHBondContact O-N 3.27Å; H635-I718 HydrophobicContact CB-CD1 3.76Å; H635-I718 HydrophobicContact CB-CG1 4.27Å |
| 636 | F | 42 | Very low | 45 | Very low | 73 Ų | 73 | 73.6 Ų | 73.6 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 89.2 | -179 | -63.2 | -88.4 | 0 | 0 | 0 | 108.7 | I634 Q638 V639 G640 Y641 I715 | I634-F636 HydrophobicContact CB-CE2 4.35Å; I634-F636 HydrophobicContact CG2-CD2 4.27Å; I634-F636 HydrophobicContact CG2-CE1 4.23Å; I634-F636 HydrophobicContact CG2-CE2 3.68Å; I634-F636 HydrophobicContact CG2-CZ 3.66Å; F636-Q638 VanDerWaalsContact C-N 3.26Å; F636-Q638 PolarHBondContact O-N 3.38Å; F636-Q638 VanDerWaalsContact O-N 3.12Å; F636-V639 HydrophobicContact CB-CB 4.4Å; F636-V639 HydrophobicContact CB-CG2 4.33Å; F636-V639 CarbonylContact O-C 3.48Å; F636-V639 PolarHBondContact O-N 3.11Å; F636-G640 PolarHBondContact O-N 3.27Å; F636-Y641 PolarHBondContact N-O 3.18Å; F636-I715 HydrophobicContact CD1-CG1 4.3Å; F636-I715 HydrophobicContact CE1-CD1 4.27Å; F636-I715 HydrophobicContact CE1-CG1 4.5Å |
| 637 | V | 37.5 | Very low | 45 | Very low | 55 Ų | 55 | 70.8 Ų | 70.8 | 33% | 0.333 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -41 | -163 | 180 | 0 | 0 | 0 | 0 | 112.7 | H635 V639 Q714 E716 | H635-V637 PolarHBondContact O-N 3.19Å; V637-V639 VanDerWaalsContact C-N 3.33Å; V637-V639 PolarHBondContact O-N 2.88Å; V637-Q714 HydrophobicContact CB-CB 4.07Å; V637-Q714 HydrophobicContact CG2-CB 3.85Å; V637-Q714 PolarHBondContact N-O 3.27Å; V637-Q714 VanDerWaalsContact N-O 3.13Å; V637-E716 HydrophobicContact CG2-CB 4.1Å; V637-E716 HydrophobicContact CG2-CG 3.66Å |
| 638 | Q | 37.7 | Very low | 45.2 | Very low | 169 Ų | 169 | 62.3 Ų | 62.3 | 79% | 0.79 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -7.9 | -177.4 | -147.6 | 176.3 | 35 | 0 | 0 | 114.5 | F636 | F636-Q638 VanDerWaalsContact C-N 3.26Å; F636-Q638 PolarHBondContact O-N 3.38Å; F636-Q638 VanDerWaalsContact O-N 3.12Å |
| 639 | V | 35.8 | Very low | 45.2 | Very low | 103 Ų | 103 | 62.2 Ų | 62.2 | 62% | 0.624 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -6.2 | -177.1 | -148.6 | 0 | 0 | 0 | 0 | 112.6 | F636 V637 Y641 | F636-V639 HydrophobicContact CB-CB 4.4Å; F636-V639 HydrophobicContact CB-CG2 4.33Å; F636-V639 CarbonylContact O-C 3.48Å; F636-V639 PolarHBondContact O-N 3.11Å; V637-V639 VanDerWaalsContact C-N 3.33Å; V637-V639 PolarHBondContact O-N 2.88Å; V639-Y641 HydrophobicContact CB-CD2 4.13Å; V639-Y641 HydrophobicContact CG1-CD2 3.8Å; V639-Y641 HydrophobicContact CG1-CE2 4.1Å; V639-Y641 WeakPolarHBondContact O-CD2 3.12Å; V639-Y641 PolarHBondContact O-N 3.34Å |
| 640 | G | 39.3 | Very low | 44.9 | Very low | 55 Ų | 55 | 65.3 Ų | 65.3 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -2 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | F636 | F636-G640 PolarHBondContact O-N 3.27Š|
| 641 | Y | 41.8 | Very low | 43.7 | Very low | 129 Ų | 129 | 67 Ų | 67 | 51% | 0.506 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 144.9 | -176.7 | -83.9 | -88.2 | 0 | 0 | 0 | 113.2 | H635 F636 V639 | H635-Y641 WeakPolarHBondContact CA-O 3.27Å; F636-Y641 PolarHBondContact N-O 3.18Å; V639-Y641 HydrophobicContact CB-CD2 4.13Å; V639-Y641 HydrophobicContact CG1-CD2 3.8Å; V639-Y641 HydrophobicContact CG1-CE2 4.1Å; V639-Y641 WeakPolarHBondContact O-CD2 3.12Å; V639-Y641 PolarHBondContact O-N 3.34Å |
| 642 | R | 43.2 | Very low | 42.5 | Very low | 139 Ų | 139 | 68.5 Ų | 68.5 | 53% | 0.525 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.1 | 172.9 | -67.7 | -177.7 | -172.3 | -175.3 | 1.2 | 111.4 | S603 I634 H635 | S603-R642 PolarHBondContact OG-O 3.01Å; I634-R642 CarbonylContact O-C 3.22Å; I634-R642 WeakPolarHBondContact O-CA 3.29Å; H635-R642 HydrophobicContact CB-CG 4.39Å; H635-R642 VanDerWaalsContact CD2-CG 3.44Å; H635-R642 WeakPolarHBondContact CD2-CG 3.4Å; H635-R642 PolarHBondContact CD2-NE 2.83Å; H635-R642 PolarHBondContact CE1-NH2 3.08Å; H635-R642 PolarHBondContact NE2-NE 3.26Å; H635-R642 VanDerWaalsContact NE2-NE 3.16Å; H635-R642 PolarHBondContact NE2-NH2 2.89Å |
| 643 | L | 46.6 | Very low | 41.3 | Very low | 56 Ų | 56 | 73 Ų | 73 | 29% | 0.293 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.4 | 174.7 | -152.2 | 83.1 | 0 | 0 | 0 | 109.5 | I599 E633 I634 L645 | I599-L643 HydrophobicContact CG2-CD2 4.2Å; I599-L643 HydrophobicContact CG2-CG 4.33Å; E633-L643 CarbonylContact C-O 3.53Å; E633-L643 VanDerWaalsContact CA-O 3.25Å; E633-L643 WeakPolarHBondContact CA-O 3.14Å; I634-L643 HydrophobicContact CB-CB 4.21Å; I634-L643 PolarHBondContact N-O 2.81Å; I634-L643 PolarHBondContact O-N 3.37Å; L643-L645 HydrophobicContact CD2-CD2 4.35Å |
| 644 | K | 49.9 | Very low | 40.1 | Very low | 90 Ų | 90 | 78.5 Ų | 78.5 | 39% | 0.391 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 137.1 | 176.7 | -85.4 | 172.6 | 173.8 | 177.2 | 0 | 112.1 | T600 E633 | T600-K644 PolarHBondContact N-O 2.68Å; T600-K644 VanDerWaalsContact N-O 3.15Å; T600-K644 VanDerWaalsContact OG1-CB 3.27Å; T600-K644 WeakPolarHBondContact OG1-CB 3.4Å; T600-K644 PolarHBondContact OG1-O 2.75Å; E633-K644 HydrophobicContact CG-CG 3.57Å; E633-K644 WeakPolarHBondContact OE1-CE 3.21Å; E633-K644 IonicContact OE1-NZ 3.29Å |
| 645 | L | 47.6 | Very low | 39.1 | Very low | 23 Ų | 23 | 87.1 Ų | 87.1 | 12% | 0.12 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.6 | -176.2 | -59.2 | 172.5 | 0 | 0 | 0 | 110.7 | L598 I599 Q631 N632 I634 L643 | L598-L645 CarbonylContact O-C 3.55Å; L598-L645 VanDerWaalsContact O-CA 3.3Å; L598-L645 WeakPolarHBondContact O-CA 3.45Å; I599-L645 HydrophobicContact CB-CD2 4.38Å; I599-L645 HydrophobicContact CG1-CD2 3.67Å; Q631-L645 WeakPolarHBondContact CA-O 3.3Å; N632-L645 HydrophobicContact CB-CB 4.24Å; N632-L645 PolarHBondContact N-O 2.73Å; N632-L645 WeakPolarHBondContact O-CB 3.47Å; N632-L645 PolarHBondContact O-N 2.83Å; I634-L645 HydrophobicContact CD1-CD1 3.92Å; I634-L645 HydrophobicContact CG1-CD1 4.03Å; L643-L645 HydrophobicContact CD2-CD2 4.35Å |
| 646 | C | 51.2 | Low | 38.1 | Very low | 3 Ų | 3 | 91 Ų | 91 | 2% | 0.02 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 111.8 | 171.5 | -67.3 | 0 | 0 | 0 | 0 | 110.4 | C597 L598 C625 L629 R630 | C597-C646 CarbonylContact C-O 3.59Å; C597-C646 WeakPolarHBondContact CA-O 3.05Å; L598-C646 PolarHBondContact N-O 2.78Å; L598-C646 PolarHBondContact O-N 3.33Å; C625-C646 WeakPolarHBondContact CA-SG 2.81Å; C625-C646 HydrophobicContact CB-CB 3.7Å; C625-C646 WeakPolarHBondContact CB-SG 3.3Å; C625-C646 WeakPolarHBondContact SG-CA 3.36Å; C625-C646 WeakPolarHBondContact SG-CB 3.37Å; C625-C646 CovalentContact SG-SG 2.04Å; C625-C646 PolarHBondContact SG-SG 2.88Å; L629-C646 HydrophobicContact CB-CB 4.02Å; L629-C646 HydrophobicContact CD1-CB 4.05Å; R630-C646 CarbonylContact O-C 3.52Å; R630-C646 WeakPolarHBondContact O-CA 3.43Å |
| 647 | C | 45 | Very low | 37.2 | Very low | 5 Ų | 5 | 93.9 Ų | 93.9 | 3% | 0.034 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.7 | -166.2 | -61 | 0 | 0 | 0 | 0 | 114 | Y596 C597 L629 R630 N632 | Y596-C647 CarbonylContact O-C 3.57Å; Y596-C647 VanDerWaalsContact O-CA 3.3Å; Y596-C647 WeakPolarHBondContact O-CA 3.44Å; C597-C647 HydrophobicContact CB-CB 4.13Å; C597-C647 WeakPolarHBondContact CB-SG 3.23Å; C597-C647 WeakPolarHBondContact SG-CB 3.48Å; C597-C647 CovalentContact SG-SG 2.04Å; C597-C647 PolarHBondContact SG-SG 2.86Å; L629-C647 CarbonylContact C-O 3.45Å; L629-C647 WeakPolarHBondContact CA-O 3.49Å; R630-C647 PolarHBondContact N-O 2.83Å; R630-C647 PolarHBondContact O-N 2.84Å; N632-C647 PolarHBondContact ND2-SG 3.38Å |
| 648 | S | 47.5 | Very low | 36.6 | Very low | 20 Ų | 20 | 101.5 Ų | 101.5 | 14% | 0.14 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 139 | 172.5 | 178 | 0 | 0 | 0 | 0 | 110.9 | G594 N595 Y596 L629 | G594-S648 WeakPolarHBondContact O-CB 3.44Å; G594-S648 PolarHBondContact O-OG 3.38Å; N595-S648 WeakPolarHBondContact CA-O 3.12Å; Y596-S648 PolarHBondContact O-N 2.75Å; L629-S648 VanDerWaalsContact CD2-N 3.33Å |
| 649 | V | 43.1 | Very low | 35.8 | Very low | 63 Ų | 63 | 101.3 Ų | 101.3 | 38% | 0.382 | 52% | 0.522 | S | S | . | . | trans | -141.9 | 120.8 | 173.3 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | L651 | V649-L651 PolarHBondContact O-N 2.7Š| ||
| 650 | N | 40.2 | Very low | 35.2 | Very low | 91 Ų | 91 | 103.1 Ų | 103.1 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | trans | -67.5 | 114.4 | 175.3 | -72.9 | -13.5 | 0 | 0 | 0 | 111.6 | I593 N595 | I593-N650 WeakPolarHBondContact CG2-OD1 3.44Å; N595-N650 PolarHBondContact OD1-N 2.67Å | ||
| 651 | L | 30.2 | Very low | 34.5 | Very low | 139 Ų | 139 | 110.1 Ų | 110.1 | 73% | 0.728 | 55% | 0.547 | S | S | * | . | trans | -90 | 144.3 | 158.8 | -112.9 | 78.7 | 0 | 0 | 0 | 110.1 | V649 | V649-L651 PolarHBondContact O-N 2.7Š| ||
| 652 | P | 28.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 108.5 Ų | 108.5 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | trans | -84.9 | 130.3 | -175.2 | 32 | -33.6 | 0 | 0 | 0 | 113.8 | ||||
| 653 | T | 25 | Very low | 32.4 | Very low | 121 Ų | 121 | 111.4 Ų | 111.4 | 74% | 0.742 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 62 | 134.1 | 147.5 | 54.6 | 0 | 0 | 0 | 0 | 121.2 | ||
| 654 | N | 23.8 | Very low | 31.2 | Very low | 146 Ų | 146 | 116.8 Ų | 116.8 | 78% | 0.781 | 60% | 0.599 | S | S | * | * | trans | 63.5 | 91.2 | 154.2 | -59.4 | 3 | 0 | 0 | 0 | 118.4 | ||||
| 655 | F | 23.4 | Very low | 29.9 | Very low | 216 Ų | 216 | 118.3 Ų | 118.3 | 95% | 0.947 | 61% | 0.612 | S | S | * | * | trans | -145.2 | 148.1 | 138.1 | -105 | -76.9 | 0 | 0 | 0 | 110.5 | ||||
| 656 | T | 22.1 | Very low | 28.6 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | trans | -107.2 | 177.7 | 177.2 | 45 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 657 | D | 22.7 | Very low | 27.1 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | 82.6 | 155.5 | 159.3 | -45.8 | -54 | 0 | 0 | 0 | 118.6 | ||||
| 658 | Y | 24.3 | Very low | 25.9 | Very low | 216 Ų | 216 | 129.3 Ų | 129.3 | 85% | 0.847 | 66% | 0.664 | S | S | * | * | trans | 64.7 | 105.6 | -168.7 | -63.3 | -84.8 | 0 | 0 | 0 | 114.5 | ||||
| 659 | E | 20.8 | Very low | 24.6 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | cis | 67.9 | 132.9 | 42.6 | -59.2 | -152.3 | 150.1 | 0 | 0 | 116.8 | ||||
| 660 | N | 23.4 | Very low | 23.6 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | 55.4 | 102.6 | 161.2 | -63.4 | -46.2 | 0 | 0 | 0 | 119 | ||||
| 661 | E | 23.8 | Very low | 22.7 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 94% | 0.939 | 71% | 0.705 | S | S | * | * | -154.3 | 172.3 | 105.2 | -123.4 | 179.2 | -167.8 | 0 | 0 | 112.7 | |||||
| 662 | S | 20.4 | Very low | 22.2 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | trans | -127.7 | 167 | -164.6 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 663 | K | 22.1 | Very low | 22 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 87% | 0.865 | 70% | 0.704 | S | S | * | * | trans | 66.7 | 91.2 | 173.1 | -54.9 | 174.6 | -176.8 | 175.4 | 0 | 116.5 | ||||
| 664 | L | 21.2 | Very low | 21.9 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 89% | 0.885 | 70% | 0.702 | S | S | * | * | -145.5 | 138.5 | 128.8 | -170.8 | 60.6 | 0 | 0 | 0 | 110.2 | K666 | L664-K666 PolarHBondContact O-N 2.74Š| |||
| 665 | D | 21.3 | Very low | 21.7 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | trans | -73.1 | 121.3 | 177.1 | -72.8 | -73.1 | 0 | 0 | 0 | 112.2 | ||||
| 666 | K | 20.5 | Very low | 21.5 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 49% | 0.487 | 69% | 0.692 | S | S | . | * | 54.9 | 66.8 | 118.1 | -62.6 | -178.7 | 141.5 | -119.3 | 0 | 118.8 | D584 T585 L664 | D584-K666 VanDerWaalsContact CA-C 3.46Å; D584-K666 VanDerWaalsContact CA-O 3.25Å; D584-K666 WeakPolarHBondContact CA-O 3.42Å; D584-K666 HydrophobicContact CB-CB 4.44Å; D584-K666 PolarHBondContact N-O 2.97Å; D584-K666 WeakPolarHBondContact OD1-CA 3.47Å; D584-K666 WeakPolarHBondContact OD1-CB 3.2Å; D584-K666 VanDerWaalsContact OD1-CG 3.22Å; D584-K666 WeakPolarHBondContact OD1-CG 3.14Å; D584-K666 IonicContact OD1-NZ 3.24Å; D584-K666 IonicContact OD2-NZ 3.49Å; D584-K666 PolarHBondContact OD2-NZ 3.49Å; T585-K666 WeakPolarHBondContact OG1-CA 3.01Å; T585-K666 PolarHBondContact OG1-N 3.39Å; L664-K666 PolarHBondContact O-N 2.74Å | |||
| 667 | I | 20.6 | Very low | 21.7 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 47% | 0.472 | 69% | 0.69 | S | S | . | * | trans | -132.4 | 124.2 | 160.7 | -83.3 | 100.9 | 0 | 0 | 0 | 116.8 | D583 D584 T585 | D583-I667 HydrophobicContact CB-CG1 3.8Å; D584-I667 VanDerWaalsContact C-C 3.47Å; T585-I667 VanDerWaalsContact CA-C 3.48Å; T585-I667 WeakPolarHBondContact CA-O 3.36Å; T585-I667 WeakPolarHBondContact CB-O 3.25Å; T585-I667 WeakPolarHBondContact CG2-O 3.26Å; T585-I667 PolarHBondContact N-O 2.89Å | ||
| 668 | N | 20.2 | Very low | 21.6 | Very low | 58 Ų | 58 | 129.8 Ų | 129.8 | 31% | 0.31 | 70% | 0.695 | S | S | . | * | trans | -78.1 | 136 | -150.9 | -149.3 | -11.3 | 0 | 0 | 0 | 118.7 | D583 D584 | D583-N668 VanDerWaalsContact C-N 3.31Å; D583-N668 WeakPolarHBondContact O-CB 3.32Å; D584-N668 VanDerWaalsContact N-N 3.12Å; D584-N668 VanDerWaalsContact O-CA 3.25Å; D584-N668 WeakPolarHBondContact O-CA 3.1Å; D584-N668 WeakPolarHBondContact O-CB 3.27Å; D584-N668 PolarHBondContact O-ND2 3.26Å; D584-N668 VanDerWaalsContact O-ND2 3.15Å; D584-N668 PolarHBondContact O-OD1 2.83Å | ||
| 669 | Y | 20.3 | Very low | 21.7 | Very low | 152 Ų | 152 | 125 Ų | 125 | 60% | 0.596 | 68% | 0.679 | S | S | * | * | trans | -104.5 | 112.2 | 152.8 | -74.1 | -91.1 | 0 | 0 | 0 | 108.3 | Y587 | Y587-Y669 WeakPolarHBondContact CB-O 3.05Š| ||
| 670 | Q | 20.4 | Very low | 21.9 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 49% | 0.491 | 67% | 0.668 | S | S | . | * | trans | -172.3 | 116.3 | 149.8 | -106.7 | 149.4 | 113.9 | 0 | 0 | 112.1 | Y587 | Y587-Q670 HydrophobicContact CD1-CG 4.3Å; Y587-Q670 HydrophobicContact CD2-CG 3.53Å; Y587-Q670 HydrophobicContact CE2-CG 3.91Å; Y587-Q670 HydrophobicContact CG-CG 3.77Å | ||
| 671 | A | 22.2 | Very low | 22.2 | Very low | 96 Ų | 96 | 116.3 Ų | 116.3 | 79% | 0.793 | 65% | 0.646 | S | S | * | * | trans | -126.3 | 113.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 672 | P | 20.7 | Very low | 22.6 | Very low | 95 Ų | 95 | 112.8 Ų | 112.8 | 62% | 0.617 | 63% | 0.632 | S | S | * | * | trans | -75 | 162.1 | -171.8 | 29.8 | -35.1 | 0 | 0 | 0 | 112.8 | ||||
| 673 | L | 23.5 | Very low | 23.2 | Very low | 150 Ų | 150 | 112.5 Ų | 112.5 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | trans | -63.1 | 135.7 | 176.1 | -73.6 | 159.9 | 0 | 0 | 0 | 112.9 | ||||
| 674 | G | 21.6 | Very low | 23.8 | Very low | 69 Ų | 69 | 110.2 Ų | 110.2 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | trans | 141.7 | 102.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 675 | I | 20.3 | Very low | 24.6 | Very low | 166 Ų | 166 | 103.3 Ų | 103.3 | 85% | 0.851 | 59% | 0.587 | S | S | * | * | cis | -132.1 | 155.4 | 22.3 | -74.4 | 163.3 | 0 | 0 | 0 | 111.2 | S677 | I675-S677 PolarHBondContact O-N 2.67Š| ||
| 676 | T | 20.3 | Very low | 25.8 | Very low | 108 Ų | 108 | 101.5 Ų | 101.5 | 66% | 0.663 | 58% | 0.582 | S | S | * | * | trans | -62.4 | 120.8 | -179.4 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | F679 | T676-F679 HydrophobicContact CG2-CE1 4.33Š| ||
| 677 | S | 24.3 | Very low | 27 | Very low | 89 Ų | 89 | 102.6 Ų | 102.6 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | trans | -69.7 | 152.3 | 146.9 | 59.7 | 0 | 0 | 0 | 0 | 109.7 | I675 F679 | I675-S677 PolarHBondContact O-N 2.67Å; S677-F679 VanDerWaalsContact O-CD1 3.28Å; S677-F679 WeakPolarHBondContact O-CD1 3.43Å; S677-F679 PolarHBondContact O-N 3.13Å | ||
| 678 | P | 22.1 | Very low | 28.1 | Very low | 123 Ų | 123 | 98.5 Ų | 98.5 | 80% | 0.799 | 57% | 0.571 | S | S | * | * | trans | -77.3 | 88.1 | 177.1 | 31.2 | -33.5 | 0 | 0 | 0 | 110.6 | ||||
| 679 | F | 24.9 | Very low | 29.4 | Very low | 117 Ų | 117 | 97.5 Ų | 97.5 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -65 | 138.2 | 171.4 | 44.4 | -94.3 | 0 | 0 | 0 | 111.6 | T676 S677 I681 | T676-F679 HydrophobicContact CG2-CE1 4.33Å; S677-F679 VanDerWaalsContact O-CD1 3.28Å; S677-F679 WeakPolarHBondContact O-CD1 3.43Å; S677-F679 PolarHBondContact O-N 3.13Å; F679-I681 HydrophobicContact CD2-CD1 4.29Å; F679-I681 HydrophobicContact CD2-CG1 4.07Å; F679-I681 HydrophobicContact CE2-CD1 4.25Å |
| 680 | A | 26.5 | Very low | 30.6 | Very low | 66 Ų | 66 | 94.8 Ų | 94.8 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -88.5 | 136.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | I734 | A680-I734 HydrophobicContact CB-CG2 4.39Š|
| 681 | I | 28.6 | Very low | 31.5 | Very low | 57 Ų | 57 | 95.5 Ų | 95.5 | 29% | 0.292 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 127.5 | 173.8 | -59 | 179 | 0 | 0 | 0 | 108.4 | F679 Q683 C735 | F679-I681 HydrophobicContact CD2-CD1 4.29Å; F679-I681 HydrophobicContact CD2-CG1 4.07Å; F679-I681 HydrophobicContact CE2-CD1 4.25Å; I681-Q683 HydrophobicContact CG2-CB 4.35Å; I681-C735 PolarHBondContact O-N 2.92Å; I681-C735 VanDerWaalsContact O-N 3.09Å |
| 682 | I | 33.4 | Very low | 32.4 | Very low | 126 Ų | 126 | 96.5 Ų | 96.5 | 65% | 0.646 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98 | 120 | 168.4 | -57.1 | 174.1 | 0 | 0 | 0 | 106.3 | I732 | I682-I732 HydrophobicContact CG2-CG2 3.84Å |
| 683 | Q | 33 | Very low | 33.1 | Very low | 91 Ų | 91 | 94.1 Ų | 94.1 | 43% | 0.425 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.2 | -177.5 | -169.1 | 168.8 | -3.5 | 0 | 0 | 111.2 | I681 | I681-Q683 HydrophobicContact CG2-CB 4.35Å |
| 684 | N | 34.3 | Very low | 34.3 | Very low | 151 Ų | 151 | 88.3 Ų | 88.3 | 81% | 0.807 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 110.9 | 178.6 | -166.6 | 5.4 | 0 | 0 | 0 | 110 | ||
| 685 | G | 38.3 | Very low | 35.3 | Very low | 23 Ų | 23 | 87.5 Ų | 87.5 | 24% | 0.237 | 49% | 0.494 | C | S | . | . | S | Bend | trans | 133.9 | 154.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I687 I733 | G685-I687 VanDerWaalsContact C-N 3.3Å; G685-I687 PolarHBondContact O-N 2.8Å; G685-I733 WeakPolarHBondContact O-CD1 3.33Å; G685-I733 VanDerWaalsContact O-CG1 3.28Å; G685-I733 WeakPolarHBondContact O-CG1 3.26Å |
| 686 | P | 45.6 | Very low | 36.4 | Very low | 85 Ų | 85 | 80.4 Ų | 80.4 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -79.2 | 2.2 | -164.5 | 30.5 | -36.6 | 0 | 0 | 0 | 116.2 | ||
| 687 | I | 46.1 | Very low | 37.6 | Very low | 135 Ų | 135 | 79.3 Ų | 79.3 | 69% | 0.692 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -131.1 | 117.8 | -171.3 | -60.9 | 171.3 | 0 | 0 | 0 | 109.6 | G685 | G685-I687 VanDerWaalsContact C-N 3.3Å; G685-I687 PolarHBondContact O-N 2.8Å |
| 688 | C | 44.6 | Very low | 38.4 | Very low | 7 Ų | 7 | 75.3 Ų | 75.3 | 5% | 0.047 | 42% | 0.416 | C | S | . | . | trans | -62 | 129.1 | 166.6 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | L698 T699 V700 C735 | C688-L698 HydrophobicContact CB-CD2 4.4Å; C688-T699 VanDerWaalsContact SG-C 3.58Å; C688-V700 HydrophobicContact CB-CG2 4.41Å; C688-V700 VanDerWaalsContact SG-CG2 3.51Å; C688-V700 PolarHBondContact SG-N 3.42Å; C688-C735 VanDerWaalsContact CA-SG 3.51Å; C688-C735 HydrophobicContact CB-CB 3.95Å; C688-C735 WeakPolarHBondContact CB-SG 3.44Å; C688-C735 VanDerWaalsContact SG-CA 3.53Å; C688-C735 WeakPolarHBondContact SG-CB 3.44Å; C688-C735 CovalentContact SG-SG 2.04Å; C688-C735 PolarHBondContact SG-SG 3.28Å | ||
| 689 | P | 46 | Very low | 39.5 | Very low | 36 Ų | 36 | 71.8 Ų | 71.8 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | trans | -57.4 | 146.8 | 175 | 22.5 | -32.3 | 0 | 0 | 0 | 110.7 | F691 L698 | P689-F691 HydrophobicContact CB-CD2 3.9Å; P689-F691 HydrophobicContact CB-CE2 3.73Å; P689-F691 HydrophobicContact CG-CD2 3.7Å; P689-F691 HydrophobicContact CG-CE2 3.59Å; P689-F691 PolarHBondContact O-N 3.16Å; P689-L698 HydrophobicContact CG-CD2 4.5Å | ||
| 690 | T | 46.9 | Very low | 40.7 | Very low | 95 Ų | 95 | 69.1 Ų | 69.1 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | trans | -75.6 | 58 | -173.5 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | Y692 | T690-Y692 WeakPolarHBondContact O-CD2 3.28Å; T690-Y692 WeakPolarHBondContact O-CE2 3.44Å | ||
| 691 | F | 38.1 | Very low | 41.5 | Very low | 120 Ų | 120 | 67.5 Ų | 67.5 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | trans | -79.1 | 146.7 | 168.5 | -67.4 | -60.9 | 0 | 0 | 0 | 111.1 | P689 L698 | P689-F691 HydrophobicContact CB-CD2 3.9Å; P689-F691 HydrophobicContact CB-CE2 3.73Å; P689-F691 HydrophobicContact CG-CD2 3.7Å; P689-F691 HydrophobicContact CG-CE2 3.59Å; P689-F691 PolarHBondContact O-N 3.16Å; F691-L698 HydrophobicContact CB-CB 4.31Å; F691-L698 HydrophobicContact CD2-CD2 4.32Å; F691-L698 PolarHBondContact O-N 2.77Å | ||
| 692 | Y | 42.1 | Very low | 41.9 | Very low | 117 Ų | 117 | 71.8 Ų | 71.8 | 46% | 0.459 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 107.4 | -171.7 | -81.7 | -87.3 | 0 | 0 | 0 | 107.6 | W423 T690 G694 N696 K697 | W423-Y692 AromaticContact CH2-CE1 3.51Å; W423-Y692 HydrophobicContact CH2-CE1 3.51Å; W423-Y692 AromaticContact CH2-CZ 3.94Å; W423-Y692 AromaticContact CZ2-CE1 3.89Å; W423-Y692 HydrophobicContact CZ2-CE1 3.89Å; W423-Y692 WeakPolarHBondContact CZ2-OH 3.24Å; T690-Y692 WeakPolarHBondContact O-CD2 3.28Å; T690-Y692 WeakPolarHBondContact O-CE2 3.44Å; Y692-G694 CarbonylContact C-O 3.57Å; Y692-G694 WeakPolarHBondContact CA-O 3.35Å; Y692-G694 WeakPolarHBondContact CB-O 3.34Å; Y692-G694 VanDerWaalsContact CD1-O 3.3Å; Y692-G694 WeakPolarHBondContact CD1-O 2.99Å; Y692-G694 PolarHBondContact O-N 2.74Å; Y692-N696 WeakPolarHBondContact CA-O 3.23Å; Y692-K697 HydrophobicContact CE1-CB 4.45Å |
| 693 | S | 35.5 | Very low | 41.9 | Very low | 46 Ų | 46 | 73.9 Ų | 73.9 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 66.5 | 162 | -169.1 | 0 | 0 | 0 | 0 | 107.8 | R426 W427 N696 | R426-S693 WeakPolarHBondContact CD-O 3.31Å; R426-S693 PolarHBondContact NE-O 3.33Å; W427-S693 WeakPolarHBondContact CZ3-O 3.25Å; S693-N696 PolarHBondContact N-O 3.18Å |
| 694 | G | 46.9 | Very low | 41.6 | Very low | 28 Ų | 28 | 76.1 Ų | 76.1 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | -147.6 | -143.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y692 N696 | Y692-G694 CarbonylContact C-O 3.57Å; Y692-G694 WeakPolarHBondContact CA-O 3.35Å; Y692-G694 WeakPolarHBondContact CB-O 3.34Å; Y692-G694 VanDerWaalsContact CD1-O 3.3Å; Y692-G694 WeakPolarHBondContact CD1-O 2.99Å; Y692-G694 PolarHBondContact O-N 2.74Å; G694-N696 CarbonylContact O-C 3.58Å; G694-N696 PolarHBondContact O-N 3.39Å |
| 695 | N | 43.3 | Very low | 41 | Very low | 52 Ų | 52 | 79.5 Ų | 79.5 | 28% | 0.278 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -22.6 | -178.4 | -49.2 | -13.6 | 0 | 0 | 0 | 118 | I424 R426 K697 | I424-N695 HydrophobicContact CB-CB 4.13Å; I424-N695 HydrophobicContact CD1-CB 3.55Å; I424-N695 HydrophobicContact CG1-CB 3.55Å; I424-N695 HydrophobicContact CG2-CB 3.54Å; I424-N695 WeakPolarHBondContact CG2-O 3.42Å; R426-N695 HydrophobicContact CB-CB 4.24Å; R426-N695 VanDerWaalsContact CD-N 3.31Å; R426-N695 HydrophobicContact CG-CB 3.84Å; R426-N695 PolarHBondContact NH1-ND2 3.49Å; R426-N695 PolarHBondContact NH1-OD1 3.25Å; N695-K697 PolarHBondContact O-N 2.99Å |
| 696 | N | 44.3 | Very low | 40.2 | Very low | 16 Ų | 16 | 84 Ų | 84 | 9% | 0.086 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 105.3 | 171.1 | -88 | 14.4 | 0 | 0 | 0 | 107.6 | R426 Y692 S693 G694 Y737 L738 N739 | R426-N696 VanDerWaalsContact C-OD1 3.32Å; R426-N696 WeakPolarHBondContact CB-OD1 3.44Å; R426-N696 PolarHBondContact O-OD1 2.74Å; Y692-N696 WeakPolarHBondContact CA-O 3.23Å; S693-N696 PolarHBondContact N-O 3.18Å; G694-N696 CarbonylContact O-C 3.58Å; G694-N696 PolarHBondContact O-N 3.39Å; N696-Y737 HydrophobicContact CB-CD1 3.9Å; N696-Y737 HydrophobicContact CB-CG 4.4Å; N696-Y737 WeakPolarHBondContact O-CD1 3.4Å; N696-Y737 WeakPolarHBondContact O-CE1 3.34Å; N696-L738 PolarHBondContact ND2-O 3.07Å; N696-N739 PolarHBondContact ND2-OD1 2.9Å |
| 697 | K | 45.3 | Very low | 39.1 | Very low | 86 Ų | 86 | 86.9 Ų | 86.9 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 140.2 | 175.4 | -175 | -171.8 | 171.1 | -173.6 | 0 | 109.4 | W423 Y692 N695 T699 | W423-K697 HydrophobicContact CH2-CB 3.99Å; W423-K697 HydrophobicContact CH2-CD 4.26Å; W423-K697 HydrophobicContact CZ3-CB 4.01Å; Y692-K697 HydrophobicContact CE1-CB 4.45Å; N695-K697 PolarHBondContact O-N 2.99Å; K697-T699 PolarHBondContact O-N 2.94Å |
| 698 | L | 41.6 | Very low | 37.9 | Very low | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.021 | 44% | 0.442 | C | S | . | . | trans | -66.6 | 122.1 | 170.3 | -158.8 | 76.9 | 0 | 0 | 0 | 109.5 | C688 P689 F691 C735 Y737 | C688-L698 HydrophobicContact CB-CD2 4.4Å; P689-L698 HydrophobicContact CG-CD2 4.5Å; F691-L698 HydrophobicContact CB-CB 4.31Å; F691-L698 HydrophobicContact CD2-CD2 4.32Å; F691-L698 PolarHBondContact O-N 2.77Å; L698-C735 HydrophobicContact CD1-CB 4.44Å; L698-C735 HydrophobicContact CD2-CB 3.67Å; L698-C735 HydrophobicContact CG-CB 3.82Å; L698-Y737 HydrophobicContact CB-CD1 4.48Å; L698-Y737 HydrophobicContact CB-CE1 3.88Å; L698-Y737 HydrophobicContact CD1-CD1 4.14Å; L698-Y737 HydrophobicContact CD1-CD2 4.09Å; L698-Y737 HydrophobicContact CD1-CE1 3.73Å; L698-Y737 HydrophobicContact CD1-CE2 3.68Å; L698-Y737 HydrophobicContact CD1-CG 4.32Å; L698-Y737 VanDerWaalsContact CD1-CZ 3.49Å; L698-Y737 HydrophobicContact CG-CE1 4.44Å | ||
| 699 | T | 45.2 | Very low | 36.8 | Very low | 50 Ų | 50 | 96.9 Ų | 96.9 | 31% | 0.307 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.2 | -170.4 | 41.6 | 0 | 0 | 0 | 0 | 113.1 | C688 K697 V701 C735 Q736 | C688-T699 VanDerWaalsContact SG-C 3.58Å; K697-T699 PolarHBondContact O-N 2.94Å; T699-V701 PolarHBondContact O-N 2.87Å; T699-C735 WeakPolarHBondContact O-CA 3.41Å; T699-Q736 PolarHBondContact N-O 3.03Å; T699-Q736 PolarHBondContact O-N 3.05Å; T699-Q736 PolarHBondContact OG1-O 3.38Å |
| 700 | V | 49.3 | Very low | 35.9 | Very low | 61 Ų | 61 | 100.3 Ų | 100.3 | 37% | 0.37 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 123.9 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | C688 Q702 I733 | C688-V700 HydrophobicContact CB-CG2 4.41Å; C688-V700 VanDerWaalsContact SG-CG2 3.51Å; C688-V700 PolarHBondContact SG-N 3.42Å; V700-Q702 HydrophobicContact CG1-CB 4.34Å; V700-I733 HydrophobicContact CG1-CB 4.03Å; V700-I733 HydrophobicContact CG1-CG2 3.64Å; V700-I733 HydrophobicContact CG2-CD1 3.84Å |
| 701 | V | 42.5 | Very low | 35 | Very low | 31 Ų | 31 | 106.9 Ų | 106.9 | 19% | 0.188 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 107 | 165 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | T699 Y703 I734 Q736 | T699-V701 PolarHBondContact O-N 2.87Å; V701-Y703 HydrophobicContact CB-CE2 4.26Å; V701-Y703 HydrophobicContact CG1-CD2 3.97Å; V701-Y703 HydrophobicContact CG1-CE2 3.49Å; V701-Y703 VanDerWaalsContact CG1-CE2 3.49Å; V701-Y703 PolarHBondContact O-N 2.93Å; V701-I734 HydrophobicContact CB-CB 4.48Å; V701-I734 PolarHBondContact N-O 3.32Å; V701-Q736 HydrophobicContact CG2-CB 4.04Å; V701-Q736 HydrophobicContact CG2-CG 3.48Å; V701-Q736 VanDerWaalsContact CG2-CG 3.48Å |
| 702 | Q | 38.3 | Very low | 34.4 | Very low | 147 Ų | 147 | 103.8 Ų | 103.8 | 69% | 0.687 | 52% | 0.522 | S | S | * | . | trans | -95.3 | 95.4 | -173 | -164.1 | 175.2 | 11.2 | 0 | 0 | 111.1 | V700 N704 | V700-Q702 HydrophobicContact CG1-CB 4.34Å; Q702-N704 PolarHBondContact O-N 2.88Å; Q702-N704 VanDerWaalsContact O-N 3.08Å | ||
| 703 | Y | 32.3 | Very low | 33.9 | Very low | 170 Ų | 170 | 103.8 Ų | 103.8 | 67% | 0.667 | 53% | 0.53 | S | S | * | . | trans | -76.1 | 93.6 | 179.9 | -80.2 | -85 | 0 | 0 | 0 | 112.2 | V701 R705 I734 | V701-Y703 HydrophobicContact CB-CE2 4.26Å; V701-Y703 HydrophobicContact CG1-CD2 3.97Å; V701-Y703 HydrophobicContact CG1-CE2 3.49Å; V701-Y703 VanDerWaalsContact CG1-CE2 3.49Å; V701-Y703 PolarHBondContact O-N 2.93Å; Y703-R705 PolarHBondContact O-N 2.77Å; Y703-I734 HydrophobicContact CD2-CD1 4.21Å; Y703-I734 HydrophobicContact CE2-CD1 3.94Å | ||
| 704 | N | 26.4 | Very low | 33.6 | Very low | 138 Ų | 138 | 106.6 Ų | 106.6 | 74% | 0.738 | 54% | 0.538 | S | S | * | . | trans | -78.5 | 48.3 | 179.6 | -71.6 | -19.8 | 0 | 0 | 0 | 114.2 | Q702 | Q702-N704 PolarHBondContact O-N 2.88Å; Q702-N704 VanDerWaalsContact O-N 3.08Å | ||
| 705 | R | 21.7 | Very low | 32.9 | Very low | 223 Ų | 223 | 110.6 Ų | 110.6 | 84% | 0.842 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -133.7 | 132.7 | 157 | -80.3 | -167.2 | 175.2 | -176 | 0.4 | 109.2 | Y703 | Y703-R705 PolarHBondContact O-N 2.77Š|
| 706 | P | 23 | Very low | 32.6 | Very low | 116 Ų | 116 | 112.1 Ų | 112.1 | 75% | 0.753 | 56% | 0.557 | S | S | * | * | trans | -62.7 | 143.2 | -177.5 | -20.5 | 32 | 0 | 0 | 0 | 111.8 | P708 | P706-P708 WeakPolarHBondContact O-CD 3.01Å; P706-P708 WeakPolarHBondContact O-CG 3.27Å | ||
| 707 | I | 21.8 | Very low | 32.1 | Very low | 147 Ų | 147 | 116.2 Ų | 116.2 | 75% | 0.754 | 58% | 0.578 | S | S | * | * | trans | -63.2 | 112.6 | 162.9 | -62 | 169.9 | 0 | 0 | 0 | 106.9 | R709 | I707-R709 PolarHBondContact O-N 3.24Š| ||
| 708 | P | 21.7 | Very low | 32 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 75% | 0.753 | 58% | 0.579 | S | S | * | * | trans | -78.2 | 96.1 | -175.1 | -11.3 | 29.4 | 0 | 0 | 0 | 109.6 | P706 | P706-P708 WeakPolarHBondContact O-CD 3.01Å; P706-P708 WeakPolarHBondContact O-CG 3.27Å | ||
| 709 | R | 20.2 | Very low | 31.9 | Very low | 235 Ų | 235 | 117 Ų | 117 | 89% | 0.887 | 59% | 0.594 | S | S | * | * | trans | 22.8 | 90.9 | 155.8 | -62.7 | -178.2 | -179.6 | -173 | -1.6 | 114.5 | I707 | I707-R709 PolarHBondContact O-N 3.24Š| ||
| 710 | P | 28.7 | Very low | 31.8 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 71% | 0.708 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 161.2 | 170.7 | 29.5 | -35.6 | 0 | 0 | 0 | 110.8 | G712 | P710-G712 PolarHBondContact O-N 3.04Š|
| 711 | Y | 27.3 | Very low | 31.1 | Very low | 232 Ų | 232 | 120.1 Ų | 120.1 | 91% | 0.91 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 127.4 | 175.7 | -52.5 | -94.5 | 0 | 0 | 0 | 112.7 | ||
| 712 | G | 26.2 | Very low | 30.5 | Very low | 56 Ų | 56 | 125.8 Ų | 125.8 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 147.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P710 | P710-G712 PolarHBondContact O-N 3.04Š|
| 713 | D | 31.2 | Very low | 29.9 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 62% | 0.62 | 64% | 0.635 | S | S | * | * | S | Bend | cis | -162.4 | 153.1 | 0.9 | -114 | -62.1 | 0 | 0 | 0 | 109.2 | ||
| 714 | Q | 27.9 | Very low | 29.7 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 49% | 0.491 | 64% | 0.637 | S | S | . | * | cis | -133.3 | 158.4 | 8.5 | -49.8 | 175.7 | -91.8 | 0 | 0 | 111.9 | V637 | V637-Q714 HydrophobicContact CB-CB 4.07Å; V637-Q714 HydrophobicContact CG2-CB 3.85Å; V637-Q714 PolarHBondContact N-O 3.27Å; V637-Q714 VanDerWaalsContact N-O 3.13Å | ||
| 715 | I | 32.8 | Very low | 29.7 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 57% | 0.574 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.7 | 162.8 | -56.9 | 178.6 | 0 | 0 | 0 | 108.8 | I634 F636 | I634-I715 HydrophobicContact CG2-CG2 3.64Å; F636-I715 HydrophobicContact CD1-CG1 4.3Å; F636-I715 HydrophobicContact CE1-CD1 4.27Å; F636-I715 HydrophobicContact CE1-CG1 4.5Å |
| 716 | E | 36.7 | Very low | 29.9 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 39% | 0.393 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.1 | 172.5 | -82 | -179.6 | 152.9 | 0 | 0 | 110 | H635 V637 I718 | H635-E716 HydrophobicContact CB-CB 3.97Å; H635-E716 IonicContact CE1-OE2 3.9Å; H635-E716 IonicContact CG-OE2 2.61Å; H635-E716 PolarHBondContact N-O 3.07Å; H635-E716 IonicContact ND1-OE2 3.89Å; H635-E716 PolarHBondContact ND1-OE2 2.92Å; H635-E716 PolarHBondContact O-N 3.27Å; V637-E716 HydrophobicContact CG2-CB 4.1Å; V637-E716 HydrophobicContact CG2-CG 3.66Å; E716-I718 HydrophobicContact CB-CG1 4.38Å |
| 717 | L | 35.3 | Very low | 30 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 53% | 0.534 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 114.8 | 166.4 | -85.9 | 152.9 | 0 | 0 | 0 | 108.6 | I634 | I634-L717 HydrophobicContact CG1-CD2 3.78Å |
| 718 | I | 41.2 | Very low | 30.2 | Very low | 76 Ų | 76 | 117.1 Ų | 117.1 | 39% | 0.39 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 93.6 | -178.6 | -56.8 | 178.9 | 0 | 0 | 0 | 107.9 | E633 H635 E716 | E633-I718 HydrophobicContact CB-CB 4.15Å; E633-I718 PolarHBondContact N-O 3.18Å; E633-I718 PolarHBondContact O-N 3.34Å; H635-I718 HydrophobicContact CB-CD1 3.76Å; H635-I718 HydrophobicContact CB-CG1 4.27Å; E716-I718 HydrophobicContact CB-CG1 4.38Å |
| 719 | G | 41.3 | Very low | 30.4 | Very low | 32 Ų | 32 | 118.3 Ų | 118.3 | 33% | 0.33 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -160.3 | 162.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N632 D721 | N632-G719 WeakPolarHBondContact OD1-CA 3.27Å; G719-D721 PolarHBondContact O-N 2.78Å |
| 720 | P | 41.7 | Very low | 30.7 | Very low | 94 Ų | 94 | 112.7 Ų | 112.7 | 61% | 0.61 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -68.3 | -16.4 | -178.4 | 28.1 | -36 | 0 | 0 | 0 | 114 | N632 | N632-P720 WeakPolarHBondContact OD1-CD 3.04Š|
| 721 | D | 35.2 | Very low | 30.8 | Very low | 82 Ų | 82 | 111.1 Ų | 111.1 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -98 | 104.7 | -180 | -59.7 | -55.4 | 0 | 0 | 0 | 109.1 | R630 G719 | R630-D721 IonicContact NH1-OD1 3.08Å; R630-D721 PolarHBondContact NH1-OD1 3.18Å; R630-D721 IonicContact NH1-OD2 2.73Å; R630-D721 PolarHBondContact NH1-OD2 3.01Å; R630-D721 VanDerWaalsContact NH1-OD2 3.09Å; G719-D721 PolarHBondContact O-N 2.78Å |
| 722 | N | 29.9 | Very low | 31.3 | Very low | 150 Ų | 150 | 105.8 Ų | 105.8 | 80% | 0.802 | 60% | 0.603 | S | S | * | * | trans | -61.8 | 156.1 | -165.5 | -113.3 | -24.4 | 0 | 0 | 0 | 115 | ||||
| 723 | P | 26.5 | Very low | 31.9 | Very low | 86 Ų | 86 | 104 Ų | 104 | 56% | 0.558 | 58% | 0.58 | S | S | * | * | trans | -77.2 | 127.3 | -158.2 | 29.8 | -35.9 | 0 | 0 | 0 | 114.7 | K725 | P723-K725 PolarHBondContact O-N 3.28Š| ||
| 724 | V | 27.4 | Very low | 32.5 | Very low | 119 Ų | 119 | 101.2 Ų | 101.2 | 72% | 0.721 | 57% | 0.565 | S | S | * | * | trans | -74.8 | 105.9 | 163.8 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | L726 | V724-L726 PolarHBondContact O-N 2.91Å; V724-L726 VanDerWaalsContact O-N 3.13Å | ||
| 725 | K | 26.2 | Very low | 33.1 | Very low | 180 Ų | 180 | 96.2 Ų | 96.2 | 78% | 0.783 | 54% | 0.542 | S | S | * | . | trans | -56.1 | 116.2 | 166.1 | -78.6 | -173.4 | 171 | -171 | 0 | 109.3 | P723 D727 | P723-K725 PolarHBondContact O-N 3.28Å; K725-D727 HydrophobicContact CB-CB 4.48Å; K725-D727 PolarHBondContact O-N 2.89Å | ||
| 726 | L | 25.8 | Very low | 33.5 | Very low | 167 Ų | 167 | 94.3 Ų | 94.3 | 87% | 0.874 | 53% | 0.53 | S | S | * | . | trans | -80.7 | 57.9 | 173 | -72.3 | 172.1 | 0 | 0 | 0 | 110.9 | V724 | V724-L726 PolarHBondContact O-N 2.91Å; V724-L726 VanDerWaalsContact O-N 3.13Å | ||
| 727 | D | 24.7 | Very low | 33.7 | Very low | 133 Ų | 133 | 93.2 Ų | 93.2 | 71% | 0.711 | 52% | 0.523 | S | S | * | . | trans | -118.5 | 123.3 | -179.4 | -160.3 | 2.4 | 0 | 0 | 0 | 109.7 | K725 I729 | K725-D727 HydrophobicContact CB-CB 4.48Å; K725-D727 PolarHBondContact O-N 2.89Å; D727-I729 PolarHBondContact O-N 3.42Å | ||
| 728 | G | 27.5 | Very low | 34 | Very low | 73 Ų | 73 | 93.5 Ų | 93.5 | 75% | 0.753 | 52% | 0.524 | S | S | * | . | S | Bend | trans | 78.7 | -4.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 729 | I | 25 | Very low | 33.8 | Very low | 142 Ų | 142 | 93.3 Ų | 93.3 | 73% | 0.728 | 52% | 0.524 | S | S | * | . | trans | -116.8 | 114.3 | -176.6 | -55.4 | -176.4 | 0 | 0 | 0 | 114.1 | D727 | D727-I729 PolarHBondContact O-N 3.42Š| ||
| 730 | P | 27.2 | Very low | 33.1 | Very low | 116 Ų | 116 | 98.9 Ų | 98.9 | 75% | 0.753 | 54% | 0.542 | S | S | * | . | trans | -85.7 | 108.5 | 169.8 | 32.6 | -30.4 | 0 | 0 | 0 | 111.3 | ||||
| 731 | N | 30.8 | Very low | 32.3 | Very low | 77 Ų | 77 | 103 Ų | 103 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | trans | -159 | 18.1 | 169.2 | -102.9 | -39 | 0 | 0 | 0 | 115.2 | I733 | N731-I733 PolarHBondContact O-N 3.05Š| ||
| 732 | I | 36.4 | Very low | 31.7 | Very low | 120 Ų | 120 | 105 Ų | 105 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81 | 115.9 | 168.2 | -59.5 | 176.9 | 0 | 0 | 0 | 107.6 | I682 | I682-I732 HydrophobicContact CG2-CG2 3.84Å |
| 733 | I | 40.1 | Very low | 31.4 | Very low | 17 Ų | 17 | 104 Ų | 104 | 9% | 0.087 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 141 | 179.1 | 49.3 | 161.5 | 0 | 0 | 0 | 111.2 | G685 V700 N731 | G685-I733 WeakPolarHBondContact O-CD1 3.33Å; G685-I733 VanDerWaalsContact O-CG1 3.28Å; G685-I733 WeakPolarHBondContact O-CG1 3.26Å; V700-I733 HydrophobicContact CG1-CB 4.03Å; V700-I733 HydrophobicContact CG1-CG2 3.64Å; V700-I733 HydrophobicContact CG2-CD1 3.84Å; N731-I733 PolarHBondContact O-N 3.05Å |
| 734 | I | 42.8 | Very low | 31.3 | Very low | 58 Ų | 58 | 104 Ų | 104 | 30% | 0.297 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.4 | 171.7 | -64.3 | 171.1 | 0 | 0 | 0 | 107.4 | A680 V701 Y703 | A680-I734 HydrophobicContact CB-CG2 4.39Å; V701-I734 HydrophobicContact CB-CB 4.48Å; V701-I734 PolarHBondContact N-O 3.32Å; Y703-I734 HydrophobicContact CD2-CD1 4.21Å; Y703-I734 HydrophobicContact CE2-CD1 3.94Å |
| 735 | C | 40.1 | Very low | 31.2 | Very low | 1 Ų | 1 | 100.5 Ų | 100.5 | 1% | 0.007 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.8 | -178.3 | -68 | 0 | 0 | 0 | 0 | 110.7 | I681 C688 L698 T699 | I681-C735 PolarHBondContact O-N 2.92Å; I681-C735 VanDerWaalsContact O-N 3.09Å; C688-C735 VanDerWaalsContact CA-SG 3.51Å; C688-C735 HydrophobicContact CB-CB 3.95Å; C688-C735 WeakPolarHBondContact CB-SG 3.44Å; C688-C735 VanDerWaalsContact SG-CA 3.53Å; C688-C735 WeakPolarHBondContact SG-CB 3.44Å; C688-C735 CovalentContact SG-SG 2.04Å; C688-C735 PolarHBondContact SG-SG 3.28Å; L698-C735 HydrophobicContact CD1-CB 4.44Å; L698-C735 HydrophobicContact CD2-CB 3.67Å; L698-C735 HydrophobicContact CG-CB 3.82Å; T699-C735 WeakPolarHBondContact O-CA 3.41Å |
| 736 | Q | 42 | Very low | 31.1 | Very low | 71 Ų | 71 | 96.6 Ų | 96.6 | 33% | 0.332 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 164.5 | 179.8 | 98.6 | 179.4 | 17.3 | 0 | 0 | 113.1 | T699 V701 L738 | T699-Q736 PolarHBondContact N-O 3.03Å; T699-Q736 PolarHBondContact O-N 3.05Å; T699-Q736 PolarHBondContact OG1-O 3.38Å; V701-Q736 HydrophobicContact CG2-CB 4.04Å; V701-Q736 HydrophobicContact CG2-CG 3.48Å; V701-Q736 VanDerWaalsContact CG2-CG 3.48Å; Q736-L738 HydrophobicContact CG-CG 4.33Å; Q736-L738 VanDerWaalsContact NE2-CD2 3.3Å |
| 737 | Y | 41.6 | Very low | 31.1 | Very low | 62 Ų | 62 | 94.9 Ų | 94.9 | 24% | 0.243 | 51% | 0.51 | C | S | . | . | trans | -95.3 | 134.2 | 167.8 | -57.5 | -70.2 | 0 | 0 | 0 | 110.3 | N696 L698 | N696-Y737 HydrophobicContact CB-CD1 3.9Å; N696-Y737 HydrophobicContact CB-CG 4.4Å; N696-Y737 WeakPolarHBondContact O-CD1 3.4Å; N696-Y737 WeakPolarHBondContact O-CE1 3.34Å; L698-Y737 HydrophobicContact CB-CD1 4.48Å; L698-Y737 HydrophobicContact CB-CE1 3.88Å; L698-Y737 HydrophobicContact CD1-CD1 4.14Å; L698-Y737 HydrophobicContact CD1-CD2 4.09Å; L698-Y737 HydrophobicContact CD1-CE1 3.73Å; L698-Y737 HydrophobicContact CD1-CE2 3.68Å; L698-Y737 HydrophobicContact CD1-CG 4.32Å; L698-Y737 VanDerWaalsContact CD1-CZ 3.49Å; L698-Y737 HydrophobicContact CG-CE1 4.44Å | ||
| 738 | L | 40.1 | Very low | 31.4 | Very low | 107 Ų | 107 | 90.4 Ų | 90.4 | 56% | 0.56 | 49% | 0.489 | S | S | * | . | trans | -110.1 | 153.8 | 175.9 | -78.9 | 163.1 | 0 | 0 | 0 | 111.4 | N696 Q736 | N696-L738 PolarHBondContact ND2-O 3.07Å; Q736-L738 HydrophobicContact CG-CG 4.33Å; Q736-L738 VanDerWaalsContact NE2-CD2 3.3Å | ||
| 739 | N | 37.5 | Very low | 31.5 | Very low | 72 Ų | 72 | 95.5 Ų | 95.5 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | trans | -120.8 | 159.8 | 172 | -78.6 | -15.6 | 0 | 0 | 0 | 109.7 | W427 N696 | W427-N739 PolarHBondContact N-OD1 2.64Å; W427-N739 PolarHBondContact O-ND2 3.11Å; W427-N739 PolarHBondContact O-OD1 3.47Å; W427-N739 VanDerWaalsContact O-OD1 3.13Å; N696-N739 PolarHBondContact ND2-OD1 2.9Å | ||
| 740 | Q | 27.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 99.5 Ų | 99.5 | 70% | 0.701 | 50% | 0.504 | S | S | * | . | trans | -92.8 | 170.9 | -176.2 | -63 | -176.1 | -74.2 | 0 | 0 | 113.7 | ||||
| 741 | E | 23.7 | Very low | 31.9 | Very low | 180 Ų | 180 | 102.8 Ų | 102.8 | 84% | 0.841 | 50% | 0.503 | S | S | * | . | trans | -81.1 | 151.4 | -161.3 | -59.8 | 156.8 | -164.2 | 0 | 0 | 115 | ||||
| 742 | I | 23.7 | Very low | 32 | Very low | 123 Ų | 123 | 102.2 Ų | 102.2 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | trans | -135.2 | 147.6 | 166.6 | -60.8 | 179.7 | 0 | 0 | 0 | 108.2 | ||||
| 743 | K | 23.5 | Very low | 31.7 | Very low | 130 Ų | 130 | 99.2 Ų | 99.2 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | trans | -109.9 | 149.7 | -179.1 | -66.4 | 175.2 | 179.7 | 172.5 | 0 | 111.3 | ||||
| 744 | L | 23 | Very low | 31.4 | Very low | 86 Ų | 86 | 103.9 Ų | 103.9 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | trans | -124.8 | 145.8 | 179.7 | -81.2 | 154.7 | 0 | 0 | 0 | 110.5 | V761 | L744-V761 HydrophobicContact CD1-CB 3.72Å; L744-V761 HydrophobicContact CD1-CG1 3.86Å; L744-V761 HydrophobicContact CD1-CG2 3.57Å | ||
| 745 | G | 25.5 | Very low | 30.7 | Very low | 46 Ų | 46 | 103.3 Ų | 103.3 | 47% | 0.474 | 52% | 0.522 | S | S | . | . | trans | -87.1 | 153.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 746 | V | 24.7 | Very low | 30 | Very low | 98 Ų | 98 | 109.8 Ų | 109.8 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | trans | -127.6 | 124.1 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 747 | K | 25.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 108.2 Ų | 108.2 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | trans | -77.4 | 132.2 | 174.3 | -159 | 171.9 | -170.5 | 175 | 0 | 108.7 | Y751 | K747-Y751 WeakPolarHBondContact CE-O 3.21Š| ||
| 748 | S | 30.3 | Very low | 28.4 | Very low | 38 Ų | 38 | 112.9 Ų | 112.9 | 27% | 0.266 | 58% | 0.583 | S | S | . | * | trans | -87.5 | 169.3 | -179.3 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | R750 Y751 D752 D754 | S748-R750 PolarHBondContact O-N 3.34Å; S748-Y751 PolarHBondContact O-N 3.4Å; S748-D752 PolarHBondContact N-O 2.92Å; S748-D754 WeakPolarHBondContact CB-OD2 3.24Å; S748-D754 PolarHBondContact OG-OD2 3.06Å | ||
| 749 | L | 29.9 | Very low | 27.6 | Very low | 181 Ų | 181 | 117.1 Ų | 117.1 | 95% | 0.948 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -3.4 | 177.2 | -76.6 | 166.5 | 0 | 0 | 0 | 114.1 | ||
| 750 | R | 34.7 | Very low | 26.9 | Very low | 225 Ų | 225 | 123.1 Ų | 123.1 | 85% | 0.849 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 8.3 | 171.3 | -67.6 | -175.2 | 174 | -175.9 | -2.4 | 113.3 | S748 D752 | S748-R750 PolarHBondContact O-N 3.34Å; R750-D752 PolarHBondContact O-N 3.26Å |
| 751 | Y | 27.1 | Very low | 26.8 | Very low | 186 Ų | 186 | 119.9 Ų | 119.9 | 73% | 0.729 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 62.9 | -0.8 | -177.6 | -61.7 | -86.4 | 0 | 0 | 0 | 116.7 | K747 S748 | K747-Y751 WeakPolarHBondContact CE-O 3.21Å; S748-Y751 PolarHBondContact O-N 3.4Å |
| 752 | D | 32.4 | Very low | 26.8 | Very low | 65 Ų | 65 | 119.3 Ų | 119.3 | 35% | 0.348 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -78.4 | 163.9 | 172.9 | -149.6 | -25.6 | 0 | 0 | 0 | 111.7 | S748 R750 K783 | S748-D752 PolarHBondContact N-O 2.92Å; R750-D752 PolarHBondContact O-N 3.26Å; D752-K783 IonicContact OD1-NZ 3.15Å; D752-K783 PolarHBondContact OD1-NZ 3.45Å; D752-K783 IonicContact OD2-NZ 2.68Å; D752-K783 PolarHBondContact OD2-NZ 3.38Å |
| 753 | C | 30 | Very low | 26.7 | Very low | 57 Ų | 57 | 116.6 Ų | 116.6 | 39% | 0.385 | 60% | 0.598 | S | S | . | * | trans | -102.8 | 83.3 | -172.3 | -63.1 | 0 | 0 | 0 | 0 | 112 | G755 C785 | C753-G755 PolarHBondContact O-N 2.94Å; C753-C785 HydrophobicContact CB-CB 4.02Å; C753-C785 WeakPolarHBondContact CB-SG 3.23Å; C753-C785 WeakPolarHBondContact SG-CB 3.35Å; C753-C785 CovalentContact SG-SG 2.04Å; C753-C785 PolarHBondContact SG-SG 3.05Å | ||
| 754 | D | 32.9 | Very low | 26.7 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 61% | 0.61 | 61% | 0.612 | S | S | * | * | trans | -76.3 | 44.7 | -174.8 | -66.7 | -59.3 | 0 | 0 | 0 | 115.2 | S748 | S748-D754 WeakPolarHBondContact CB-OD2 3.24Å; S748-D754 PolarHBondContact OG-OD2 3.06Å | ||
| 755 | G | 29.7 | Very low | 26.7 | Very low | 46 Ų | 46 | 118.8 Ų | 118.8 | 47% | 0.474 | 61% | 0.613 | S | S | . | * | trans | 70 | -156.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | C753 G757 | C753-G755 PolarHBondContact O-N 2.94Å; G755-G757 PolarHBondContact O-N 2.71Å | ||
| 756 | L | 23.7 | Very low | 26.6 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 72% | 0.723 | 62% | 0.618 | S | S | * | * | trans | -95.6 | 67.1 | -166.8 | -71 | 167.6 | 0 | 0 | 0 | 113 | H758 | L756-H758 PolarHBondContact O-N 3.4Š| ||
| 757 | G | 27.1 | Very low | 26.4 | Very low | 38 Ų | 38 | 119.5 Ų | 119.5 | 39% | 0.392 | 63% | 0.63 | S | S | . | * | trans | -58 | 131.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | G755 R759 | G755-G757 PolarHBondContact O-N 2.71Å; G757-R759 PolarHBondContact O-N 3.11Å | ||
| 758 | H | 23.5 | Very low | 26.2 | Very low | 160 Ų | 160 | 115.5 Ų | 115.5 | 74% | 0.741 | 62% | 0.617 | S | S | * | * | trans | -81.6 | 116.1 | 171.2 | -78 | 35.9 | 0 | 0 | 0 | 110 | L756 | L756-H758 PolarHBondContact O-N 3.4Š| ||
| 759 | R | 24.7 | Very low | 25.8 | Very low | 195 Ų | 195 | 114.6 Ų | 114.6 | 74% | 0.736 | 61% | 0.61 | S | S | * | * | trans | -134.5 | 131.5 | 165.7 | -178.8 | 177.9 | 173 | 167.1 | -0.7 | 109.1 | G757 V761 | G757-R759 PolarHBondContact O-N 3.11Å; R759-V761 HydrophobicContact CB-CG2 4.34Å; R759-V761 HydrophobicContact CG-CG2 3.86Å; R759-V761 PolarHBondContact O-N 3.47Å | ||
| 760 | E | 22.8 | Very low | 25.4 | Very low | 199 Ų | 199 | 107.9 Ų | 107.9 | 93% | 0.93 | 59% | 0.585 | S | S | * | * | trans | -64.4 | 115.4 | 165 | -66.2 | -179.3 | 128.7 | 0 | 0 | 108.9 | ||||
| 761 | V | 24.6 | Very low | 25 | Very low | 82 Ų | 82 | 103.5 Ų | 103.5 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | trans | -126.8 | 138.2 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | L744 R759 S763 | L744-V761 HydrophobicContact CD1-CB 3.72Å; L744-V761 HydrophobicContact CD1-CG1 3.86Å; L744-V761 HydrophobicContact CD1-CG2 3.57Å; R759-V761 HydrophobicContact CB-CG2 4.34Å; R759-V761 HydrophobicContact CG-CG2 3.86Å; R759-V761 PolarHBondContact O-N 3.47Å; V761-S763 PolarHBondContact O-N 3.12Å | ||
| 762 | M | 22.6 | Very low | 24.9 | Very low | 167 Ų | 167 | 104 Ų | 104 | 82% | 0.823 | 58% | 0.581 | S | S | * | * | trans | -66 | 127.5 | -175 | -62.5 | -177.8 | -177.9 | 0 | 0 | 110.9 | Y764 | M762-Y764 PolarHBondContact O-N 2.69Š| ||
| 763 | S | 23 | Very low | 24.5 | Very low | 66 Ų | 66 | 104.6 Ų | 104.6 | 46% | 0.462 | 60% | 0.595 | S | S | . | * | trans | -69.2 | 87.6 | -177.8 | 163.7 | 0 | 0 | 0 | 0 | 112.6 | V761 | V761-S763 PolarHBondContact O-N 3.12Š| ||
| 764 | Y | 23.4 | Very low | 24.3 | Very low | 217 Ų | 217 | 106.1 Ų | 106.1 | 85% | 0.851 | 60% | 0.599 | S | S | * | * | trans | -84.1 | 135.9 | 149.9 | -76.1 | -85.7 | 0 | 0 | 0 | 109.3 | M762 | M762-Y764 PolarHBondContact O-N 2.69Š| ||
| 765 | G | 23.6 | Very low | 24.2 | Very low | 46 Ų | 46 | 106.2 Ų | 106.2 | 47% | 0.474 | 61% | 0.609 | S | S | . | * | trans | -92.4 | 128.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 766 | G | 22.1 | Very low | 24 | Very low | 56 Ų | 56 | 109.2 Ų | 109.2 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | trans | -139.7 | 134.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T768 | G766-T768 PolarHBondContact O-OG1 2.02Š| ||
| 767 | A | 21.6 | Very low | 24 | Very low | 102 Ų | 102 | 106 Ų | 106 | 84% | 0.843 | 60% | 0.604 | S | S | * | * | trans | -75.3 | 145.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 768 | T | 21.6 | Very low | 24.1 | Very low | 48 Ų | 48 | 110.6 Ų | 110.6 | 29% | 0.294 | 62% | 0.624 | S | S | . | * | trans | -165.5 | 138.5 | -148.1 | 31.3 | 0 | 0 | 0 | 0 | 108.9 | G766 L789 S790 | G766-T768 PolarHBondContact O-OG1 2.02Å; T768-L789 VanDerWaalsContact CB-CB 3.49Å; T768-L789 HydrophobicContact CG2-CD1 3.83Å; T768-L789 HydrophobicContact CG2-CD2 4.1Å; T768-L789 HydrophobicContact CG2-CG 4.35Å; T768-L789 CarbonylContact O-C 3.5Å; T768-L789 VanDerWaalsContact O-CB 3.29Å; T768-L789 WeakPolarHBondContact O-CB 2.95Å; T768-S790 PolarHBondContact O-N 3.4Å; T768-S790 VanDerWaalsContact O-N 3.14Å | ||
| 769 | C | 20.2 | Very low | 24.1 | Very low | 18 Ų | 18 | 110.3 Ų | 110.3 | 12% | 0.122 | 62% | 0.621 | C | S | . | * | trans | -117.7 | 167.5 | -154.1 | -49.8 | 0 | 0 | 0 | 0 | 114.6 | L789 T816 C817 | C769-L789 WeakPolarHBondContact O-CB 3.42Å; C769-L789 PolarHBondContact O-N 3.49Å; C769-T816 HydrophobicContact CB-CG2 4.37Å; C769-T816 VanDerWaalsContact SG-CB 3.58Å; C769-C817 WeakPolarHBondContact CB-O 3Å; C769-C817 PolarHBondContact SG-N 2.73Å; C769-C817 PolarHBondContact SG-O 3.34Å | ||
| 770 | G | 23.2 | Very low | 24.4 | Very low | 41 Ų | 41 | 105.7 Ų | 105.7 | 42% | 0.423 | 62% | 0.616 | S | S | . | * | trans | -159.3 | 149.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 771 | F | 25.4 | Very low | 24.5 | Very low | 132 Ų | 132 | 103 Ų | 103 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | trans | -113.3 | 140.6 | -176.5 | 39.4 | -95.2 | 0 | 0 | 0 | 110.8 | F786 C818 | F771-F786 AromaticContact CZ-CD1 3.81Å; F771-F786 HydrophobicContact CZ-CD1 3.81Å; F771-F786 HydrophobicContact CZ-CE1 4.15Å; F771-F786 HydrophobicContact CZ-CG 4.31Å; F771-C818 HydrophobicContact CD1-CB 4.26Å; F771-C818 HydrophobicContact CE1-CB 4.21Å | ||
| 772 | E | 24.2 | Very low | 24.6 | Very low | 198 Ų | 198 | 101.5 Ų | 101.5 | 93% | 0.925 | 62% | 0.617 | S | S | * | * | trans | -98.9 | 107.9 | 176 | -172.6 | 165.6 | -158.1 | 0 | 0 | 109.2 | N774 | E772-N774 PolarHBondContact O-N 3.49Š| ||
| 773 | A | 25.6 | Very low | 24.8 | Very low | 77 Ų | 77 | 101 Ų | 101 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | trans | -76.9 | 116.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 774 | N | 24.4 | Very low | 25.1 | Very low | 89 Ų | 89 | 103.6 Ų | 103.6 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | trans | -66.6 | 150 | 168.5 | -168.6 | 12.7 | 0 | 0 | 0 | 110.3 | E772 T776 V777 L810 | E772-N774 PolarHBondContact O-N 3.49Å; N774-T776 PolarHBondContact O-N 3Å; N774-V777 PolarHBondContact O-N 2.03Å; N774-L810 HydrophobicContact CB-CD2 4.38Å | ||
| 775 | S | 31.3 | Very low | 25.3 | Very low | 116 Ų | 116 | 97 Ų | 97 | 81% | 0.811 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 9.3 | -171.3 | 55.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 776 | T | 25.5 | Very low | 25.4 | Very low | 108 Ų | 108 | 100.7 Ų | 100.7 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 2.2 | -179.9 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | N774 | N774-T776 PolarHBondContact O-N 3Š|
| 777 | V | 24 | Very low | 25.5 | Very low | 70 Ų | 70 | 103.6 Ų | 103.6 | 42% | 0.424 | 60% | 0.601 | S | S | . | * | trans | -92.9 | 123.4 | 172.4 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | N774 F779 | N774-V777 PolarHBondContact O-N 2.03Å; V777-F779 HydrophobicContact CG1-CD2 3.98Å; V777-F779 HydrophobicContact CG1-CE2 3.54Å; V777-F779 HydrophobicContact CG1-CZ 4.05Å | ||
| 778 | V | 28 | Very low | 25.6 | Very low | 135 Ų | 135 | 107.7 Ų | 107.7 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | trans | -118.4 | 117.3 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 779 | F | 25.4 | Very low | 25.8 | Very low | 154 Ų | 154 | 108.2 Ų | 108.2 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | trans | -94.1 | 146.7 | 175 | -74.4 | -85.7 | 0 | 0 | 0 | 111.4 | V777 | V777-F779 HydrophobicContact CG1-CD2 3.98Å; V777-F779 HydrophobicContact CG1-CE2 3.54Å; V777-F779 HydrophobicContact CG1-CZ 4.05Å | ||
| 780 | P | 29.9 | Very low | 26.1 | Very low | 99 Ų | 99 | 111.5 Ų | 111.5 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | trans | -61.1 | 160.2 | 167.4 | -22 | 34.3 | 0 | 0 | 0 | 112.8 | G782 | P780-G782 PolarHBondContact O-N 3.24Š| ||
| 781 | P | 24.7 | Very low | 26.1 | Very low | 142 Ų | 142 | 115 Ų | 115 | 92% | 0.922 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -72.5 | 108.7 | -177.6 | 28.7 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 782 | G | 26.2 | Very low | 26.1 | Very low | 51 Ų | 51 | 115 Ų | 115 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | trans | -151.9 | 164.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P780 | P780-G782 PolarHBondContact O-N 3.24Š| ||
| 783 | K | 26.9 | Very low | 26 | Very low | 157 Ų | 157 | 109.8 Ų | 109.8 | 68% | 0.683 | 64% | 0.64 | S | S | * | * | trans | -94.6 | 119.4 | 169.5 | -91.6 | -171.6 | 172.7 | -170.7 | 0 | 108.9 | D752 | D752-K783 IonicContact OD1-NZ 3.15Å; D752-K783 PolarHBondContact OD1-NZ 3.45Å; D752-K783 IonicContact OD2-NZ 2.68Å; D752-K783 PolarHBondContact OD2-NZ 3.38Å | ||
| 784 | Y | 29.1 | Very low | 25.9 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | trans | -132.1 | 143.1 | 178.8 | -59.1 | -59.5 | 0 | 0 | 0 | 110.7 | F786 E821 | Y784-F786 HydrophobicContact CG-CZ 4.44Å; Y784-E821 WeakPolarHBondContact CB-OE1 3.42Å; Y784-E821 WeakPolarHBondContact CD1-OE1 3.47Å; Y784-E821 WeakPolarHBondContact CD1-OE2 3.18Å; Y784-E821 WeakPolarHBondContact CE1-OE2 3.14Å | ||
| 785 | C | 27.8 | Very low | 25.8 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 54% | 0.541 | 65% | 0.651 | S | S | . | * | trans | -113.4 | 88.9 | -164.5 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | C753 | C753-C785 HydrophobicContact CB-CB 4.02Å; C753-C785 WeakPolarHBondContact CB-SG 3.23Å; C753-C785 WeakPolarHBondContact SG-CB 3.35Å; C753-C785 CovalentContact SG-SG 2.04Å; C753-C785 PolarHBondContact SG-SG 3.05Å | ||
| 786 | F | 25.7 | Very low | 25.5 | Very low | 123 Ų | 123 | 107.9 Ų | 107.9 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | trans | -90.9 | 153.7 | -173.6 | -58 | -66.5 | 0 | 0 | 0 | 114.8 | F771 Y784 T820 | F771-F786 AromaticContact CZ-CD1 3.81Å; F771-F786 HydrophobicContact CZ-CD1 3.81Å; F771-F786 HydrophobicContact CZ-CE1 4.15Å; F771-F786 HydrophobicContact CZ-CG 4.31Å; Y784-F786 HydrophobicContact CG-CZ 4.44Å; F786-T820 HydrophobicContact CE1-CG2 4.49Å | ||
| 787 | L | 25.2 | Very low | 25.3 | Very low | 117 Ų | 117 | 109.7 Ų | 109.7 | 61% | 0.613 | 64% | 0.643 | S | S | * | * | trans | -116.5 | 111.1 | -177.4 | -156.3 | 71.7 | 0 | 0 | 0 | 108.7 | L789 | L787-L789 HydrophobicContact CB-CD1 4.02Å; L787-L789 HydrophobicContact CD2-CD1 3.54Å; L787-L789 HydrophobicContact CG-CD1 3.51Å; L787-L789 HydrophobicContact CG-CG 4.32Å | ||
| 788 | Q | 23.8 | Very low | 25.2 | Very low | 187 Ų | 187 | 112.7 Ų | 112.7 | 87% | 0.874 | 66% | 0.662 | S | S | * | * | trans | -99.7 | 118.7 | -174.8 | -172.6 | -162.8 | 8.4 | 0 | 0 | 112.2 | ||||
| 789 | L | 25.1 | Very low | 24.9 | Very low | 60 Ų | 60 | 112 Ų | 112 | 31% | 0.314 | 66% | 0.663 | S | S | . | * | trans | -140.9 | -179.3 | -167.2 | -61.6 | 140.6 | 0 | 0 | 0 | 113.3 | T768 C769 L787 | T768-L789 VanDerWaalsContact CB-CB 3.49Å; T768-L789 HydrophobicContact CG2-CD1 3.83Å; T768-L789 HydrophobicContact CG2-CD2 4.1Å; T768-L789 HydrophobicContact CG2-CG 4.35Å; T768-L789 CarbonylContact O-C 3.5Å; T768-L789 VanDerWaalsContact O-CB 3.29Å; T768-L789 WeakPolarHBondContact O-CB 2.95Å; C769-L789 WeakPolarHBondContact O-CB 3.42Å; C769-L789 PolarHBondContact O-N 3.49Å; L787-L789 HydrophobicContact CB-CD1 4.02Å; L787-L789 HydrophobicContact CD2-CD1 3.54Å; L787-L789 HydrophobicContact CG-CD1 3.51Å; L787-L789 HydrophobicContact CG-CG 4.32Å | ||
| 790 | S | 26 | Very low | 24.7 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | trans | -97.4 | 153 | -151.2 | 71.2 | 0 | 0 | 0 | 0 | 118.2 | T768 | T768-S790 PolarHBondContact O-N 3.4Å; T768-S790 VanDerWaalsContact O-N 3.14Å | ||
| 791 | S | 24.1 | Very low | 24.3 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -103.6 | 84.7 | -169.7 | 46.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 792 | T | 24.3 | Very low | 24.1 | Very low | 132 Ų | 132 | 113.8 Ų | 113.8 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | -167.7 | 127.1 | 155.7 | 10.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 793 | C | 23.6 | Very low | 23.8 | Very low | 87 Ų | 87 | 117.4 Ų | 117.4 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 147.4 | 169.2 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 794 | P | 23.1 | Very low | 23.6 | Very low | 66 Ų | 66 | 117.4 Ų | 117.4 | 43% | 0.429 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 162.6 | 165.6 | -18.2 | 33.6 | 0 | 0 | 0 | 112.9 | F432 | F432-P794 HydrophobicContact CE2-CG 3.84Å; F432-P794 HydrophobicContact CZ-CG 4.34Å |
| 795 | A | 22.4 | Very low | 23.1 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 92% | 0.917 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 137.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 796 | G | 25.4 | Very low | 22.8 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 161 | -39.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 797 | F | 21.2 | Very low | 22.7 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -97 | 130.1 | 178.6 | -80.9 | -91.9 | 0 | 0 | 0 | 112.6 | F432 N434 | F432-F797 HydrophobicContact CE1-CE2 4.49Å; N434-F797 HydrophobicContact CB-CE2 4.26Å; N434-F797 HydrophobicContact CB-CZ 4.36Å; N434-F797 WeakPolarHBondContact ND2-CE2 3.06Å; N434-F797 VanDerWaalsContact ND2-CZ 3.27Å; N434-F797 WeakPolarHBondContact ND2-CZ 3.15Å |
| 798 | T | 20.9 | Very low | 22.5 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -87 | 159.5 | 177.4 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | R800 | T798-R800 PolarHBondContact O-N 3.11Š|
| 799 | S | 22.1 | Very low | 22.4 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123.1 | 178.3 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 800 | R | 22.1 | Very low | 22.2 | Very low | 249 Ų | 249 | 128.8 Ų | 128.8 | 94% | 0.94 | 76% | 0.759 | S | S | * | * | trans | -121.8 | 116.3 | 154.9 | -110.7 | -177.6 | 176.9 | 176.4 | 0.2 | 110.2 | T798 | T798-R800 PolarHBondContact O-N 3.11Š| ||
| 801 | S | 20 | Very low | 22 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -83.7 | 114 | 175.7 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 802 | G | 21.3 | Very low | 21.9 | Very low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | -117.2 | 138.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 803 | V | 20 | Very low | 21.8 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -128.3 | 84.7 | -178.9 | -176 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 804 | D | 21.7 | Very low | 21.7 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -75.8 | 143.2 | 170.7 | -78.6 | -57.4 | 0 | 0 | 0 | 111.3 | ||||
| 805 | R | 18.9 | Very low | 21.7 | Very low | 223 Ų | 223 | 134.7 Ų | 134.7 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | -115.2 | 109.2 | -167.1 | -63.8 | 179.7 | -179.9 | -177.4 | 0.3 | 111.1 | ||||
| 806 | F | 21.8 | Very low | 21.7 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -131.6 | 117 | 161.7 | -83.5 | -83.7 | 0 | 0 | 0 | 110.6 | F808 | F806-F808 VanDerWaalsContact C-N 3.32Å; F806-F808 PolarHBondContact O-N 2.9Å | ||
| 807 | G | 23.1 | Very low | 21.6 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 65.3 | -71.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 808 | F | 22.4 | Very low | 21.6 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -139 | 140 | -155.4 | -44.4 | -72.9 | 0 | 0 | 0 | 111.9 | F806 L810 | F806-F808 VanDerWaalsContact C-N 3.32Å; F806-F808 PolarHBondContact O-N 2.9Å; F808-L810 PolarHBondContact O-N 2.96Å; F808-L810 VanDerWaalsContact O-N 3.16Å |
| 809 | S | 20.2 | Very low | 21.9 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -82.5 | 95.8 | -170.1 | -171.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 810 | L | 21.2 | Very low | 22.3 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 63% | 0.628 | 74% | 0.74 | S | S | * | * | trans | -112.1 | 122.7 | 162.7 | -75.8 | 169.1 | 0 | 0 | 0 | 109.6 | N774 F808 | N774-L810 HydrophobicContact CB-CD2 4.38Å; F808-L810 PolarHBondContact O-N 2.96Å; F808-L810 VanDerWaalsContact O-N 3.16Å | ||
| 811 | Q | 22.1 | Very low | 22.4 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -78.2 | 122.1 | 178.6 | -69.5 | -179.6 | -19.4 | 0 | 0 | 110.5 | L813 | Q811-L813 PolarHBondContact O-N 2.83Š| ||
| 812 | S | 22.3 | Very low | 22.6 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | -76.1 | 106 | 165.5 | 52.9 | 0 | 0 | 0 | 0 | 110 | G814 | S812-G814 PolarHBondContact O-N 3.27Š| ||
| 813 | L | 21.8 | Very low | 22.7 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 90% | 0.901 | 72% | 0.717 | S | S | * | * | trans | -74.5 | 67.4 | 167.5 | -84.6 | 168.9 | 0 | 0 | 0 | 110.8 | Q811 | Q811-L813 PolarHBondContact O-N 2.83Š| ||
| 814 | G | 21.5 | Very low | 22.7 | Very low | 47 Ų | 47 | 131.7 Ų | 131.7 | 49% | 0.485 | 72% | 0.723 | S | S | . | * | S | Bend | trans | 67.7 | 99 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | S812 | S812-G814 PolarHBondContact O-N 3.27Š|
| 815 | S | 22.9 | Very low | 22.6 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | trans | 45.1 | 80.3 | 141.4 | 61.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 816 | T | 22.6 | Very low | 22.7 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 55% | 0.546 | 71% | 0.713 | S | S | . | * | trans | -149.6 | 145.1 | 159.3 | 20.2 | 0 | 0 | 0 | 0 | 111 | C769 | C769-T816 HydrophobicContact CB-CG2 4.37Å; C769-T816 VanDerWaalsContact SG-CB 3.58Å | ||
| 817 | C | 23.3 | Very low | 22.7 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -101.4 | 133.3 | -161.1 | -36.3 | 0 | 0 | 0 | 0 | 115.1 | C769 | C769-C817 WeakPolarHBondContact CB-O 3Å; C769-C817 PolarHBondContact SG-N 2.73Å; C769-C817 PolarHBondContact SG-O 3.34Å | ||
| 818 | C | 21.9 | Very low | 22.6 | Very low | 79 Ų | 79 | 118 Ų | 118 | 53% | 0.534 | 68% | 0.682 | S | S | . | * | trans | -149.5 | 161.9 | 167.1 | -88.4 | 0 | 0 | 0 | 0 | 111.8 | F771 | F771-C818 HydrophobicContact CD1-CB 4.26Å; F771-C818 HydrophobicContact CE1-CB 4.21Å | ||
| 819 | R | 27.7 | Very low | 22.8 | Very low | 158 Ų | 158 | 113.8 Ų | 113.8 | 60% | 0.596 | 67% | 0.668 | S | S | * | * | trans | -156.4 | 163.9 | -173.6 | -121.8 | 173.3 | -179.3 | 175.3 | 3.6 | 111.7 | D1319 S1320 P1321 | R819-D1319 PolarHBondContact NH1-O 2.94Å; R819-S1320 PolarHBondContact NH1-O 3.3Å; R819-S1320 VanDerWaalsContact NH1-O 3.15Å; R819-P1321 HydrophobicContact CG-CB 4.18Å; R819-P1321 VanDerWaalsContact CZ-N 3.28Å | ||
| 820 | T | 28.8 | Very low | 23.1 | Very low | 98 Ų | 98 | 113.4 Ų | 113.4 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | trans | -150 | 130 | -167.6 | 48.9 | 0 | 0 | 0 | 0 | 117.1 | F786 | F786-T820 HydrophobicContact CE1-CG2 4.49Š| ||
| 821 | E | 24.3 | Very low | 23.2 | Very low | 97 Ų | 97 | 112 Ų | 112 | 45% | 0.453 | 66% | 0.655 | S | S | . | * | trans | 77.8 | 163.4 | 131.3 | -64.6 | 170.7 | -175.5 | 0 | 0 | 124.4 | Y784 | Y784-E821 WeakPolarHBondContact CB-OE1 3.42Å; Y784-E821 WeakPolarHBondContact CD1-OE1 3.47Å; Y784-E821 WeakPolarHBondContact CD1-OE2 3.18Å; Y784-E821 WeakPolarHBondContact CE1-OE2 3.14Å | ||
| 822 | E | 24.2 | Very low | 23.4 | Very low | 156 Ų | 156 | 109.9 Ų | 109.9 | 73% | 0.729 | 65% | 0.649 | S | S | * | * | trans | -151.2 | 150 | -157.9 | -47.9 | 170.1 | 124.7 | 0 | 0 | 113.2 | ||||
| 823 | S | 23.4 | Very low | 23.6 | Very low | 110 Ų | 110 | 106.5 Ų | 106.5 | 77% | 0.769 | 62% | 0.621 | S | S | * | * | trans | 173.7 | 141.1 | 149.5 | 32.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 824 | I | 20 | Very low | 24 | Very low | 175 Ų | 175 | 105.1 Ų | 105.1 | 90% | 0.897 | 61% | 0.61 | S | S | * | * | trans | 64.9 | 137.7 | 140.3 | -60.2 | 164.4 | 0 | 0 | 0 | 124.4 | ||||
| 825 | G | 19.6 | Very low | 24.6 | Very low | 73 Ų | 73 | 105.5 Ų | 105.5 | 75% | 0.753 | 61% | 0.609 | S | S | * | * | trans | 125.1 | 144.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 826 | A | 21.2 | Very low | 25.4 | Very low | 88 Ų | 88 | 104 Ų | 104 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | trans | -163.2 | 138.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117 | R1441 | A826-R1441 PolarHBondContact O-NH2 3.35Š| ||
| 827 | I | 22.9 | Very low | 26.1 | Very low | 71 Ų | 71 | 101.2 Ų | 101.2 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | trans | -139.1 | 157.7 | -177.5 | -46.9 | -171.2 | 0 | 0 | 0 | 115.6 | P840 K1446 | I827-P840 HydrophobicContact CB-CB 3.82Å; I827-P840 HydrophobicContact CG2-CB 3.5Å; I827-P840 VanDerWaalsContact CG2-CB 3.5Å; I827-P840 HydrophobicContact CG2-CG 3.76Å; I827-K1446 HydrophobicContact CD1-CD 3.71Å | ||
| 828 | K | 19.9 | Very low | 26.7 | Very low | 128 Ų | 128 | 99.8 Ų | 99.8 | 56% | 0.557 | 56% | 0.558 | S | S | * | * | trans | -63.1 | 172.2 | -166.6 | -146.9 | 176.2 | -178.9 | -177.9 | 0 | 120 | P840 | K828-P840 VanDerWaalsContact O-CB 3.3Å; K828-P840 WeakPolarHBondContact O-CB 3.43Å; K828-P840 VanDerWaalsContact O-CD 3.28Å; K828-P840 WeakPolarHBondContact O-CD 3.17Å; K828-P840 WeakPolarHBondContact O-CG 3.1Å | ||
| 829 | L | 27.1 | Very low | 27.2 | Very low | 105 Ų | 105 | 96.9 Ų | 96.9 | 55% | 0.55 | 54% | 0.537 | S | S | . | . | trans | -144.4 | 172 | 168.9 | -85.8 | 161.8 | 0 | 0 | 0 | 109 | L839 | L829-L839 HydrophobicContact CD2-CD1 3.97Å; L829-L839 HydrophobicContact CD2-CD2 4.07Å; L829-L839 HydrophobicContact CD2-CG 4.42Å | ||
| 830 | P | 27.6 | Very low | 27.4 | Very low | 114 Ų | 114 | 90.4 Ų | 90.4 | 74% | 0.74 | 52% | 0.516 | S | S | * | . | cis | -115.1 | 178.3 | -9.1 | 41.6 | -29.7 | 0 | 0 | 0 | 113.2 | ||||
| 831 | I | 22.7 | Very low | 27.6 | Very low | 91 Ų | 91 | 87.4 Ų | 87.4 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | trans | -144.3 | 167.3 | 179 | -41.2 | 178.1 | 0 | 0 | 0 | 110.1 | F837 K838 L839 | I831-F837 HydrophobicContact CB-CD1 3.42Å; I831-F837 VanDerWaalsContact CB-CD1 3.42Å; I831-F837 HydrophobicContact CB-CE1 3.93Å; I831-F837 HydrophobicContact CB-CG 4.08Å; I831-F837 HydrophobicContact CG2-CB 4.11Å; I831-F837 HydrophobicContact CG2-CD1 3.52Å; I831-F837 HydrophobicContact CG2-CE1 4.41Å; I831-F837 HydrophobicContact CG2-CG 4.1Å; I831-F837 WeakPolarHBondContact O-CE1 3.29Å; I831-K838 WeakPolarHBondContact CD1-O 3.49Å; I831-L839 HydrophobicContact CB-CD2 3.72Å; I831-L839 HydrophobicContact CD1-CD2 3.88Å; I831-L839 HydrophobicContact CG1-CD2 3.59Å | ||
| 832 | N | 25 | Very low | 28.2 | Very low | 131 Ų | 131 | 86 Ų | 86 | 70% | 0.701 | 50% | 0.499 | S | S | * | . | trans | -126.1 | 154.9 | -177.9 | 179.4 | 37.1 | 0 | 0 | 0 | 112.8 | F837 | N832-F837 WeakPolarHBondContact O-CD1 3.2Š| ||
| 833 | L | 27.2 | Very low | 28.7 | Very low | 41 Ų | 41 | 84.9 Ų | 84.9 | 22% | 0.215 | 49% | 0.489 | C | S | . | . | trans | -153.4 | 150.1 | -175.2 | -89.9 | 174.6 | 0 | 0 | 0 | 120.4 | A835 P836 F837 Y863 | L833-A835 WeakPolarHBondContact CD1-O 3.46Å; L833-A835 HydrophobicContact CD2-CB 4.17Å; L833-A835 WeakPolarHBondContact CD2-O 3.5Å; L833-P836 VanDerWaalsContact CD2-C 3.42Å; L833-F837 HydrophobicContact CB-CD1 4.12Å; L833-F837 HydrophobicContact CB-CE1 4.16Å; L833-F837 HydrophobicContact CD1-CB 3.59Å; L833-F837 HydrophobicContact CD1-CD1 3.5Å; L833-F837 VanDerWaalsContact CD1-CD1 3.5Å; L833-F837 HydrophobicContact CD1-CD2 3.45Å; L833-F837 VanDerWaalsContact CD1-CD2 3.45Å; L833-F837 HydrophobicContact CD1-CE1 3.78Å; L833-F837 HydrophobicContact CD1-CE2 3.74Å; L833-F837 HydrophobicContact CD1-CG 3.24Å; L833-F837 HydrophobicContact CD1-CZ 3.89Å; L833-F837 HydrophobicContact CD2-CB 3.65Å; L833-F837 HydrophobicContact CD2-CD1 4.25Å; L833-F837 HydrophobicContact CD2-CG 4.17Å; L833-F837 VanDerWaalsContact CD2-N 3.26Å; L833-F837 HydrophobicContact CG-CB 3.51Å; L833-F837 HydrophobicContact CG-CD1 3.27Å; L833-F837 HydrophobicContact CG-CD2 4.15Å; L833-F837 HydrophobicContact CG-CE1 3.75Å; L833-F837 HydrophobicContact CG-CG 3.41Å; L833-F837 VanDerWaalsContact CG-CG 3.41Å; L833-F837 HydrophobicContact CG-CZ 4.38Å; L833-Y863 HydrophobicContact CD1-CD1 3.58Å; L833-Y863 HydrophobicContact CD1-CG 4.11Å | ||
| 834 | E | 31.4 | Very low | 29.3 | Very low | 144 Ų | 144 | 80.5 Ų | 80.5 | 67% | 0.673 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -131.7 | 6.6 | 151.9 | -55.5 | -166 | 110.1 | 0 | 0 | 113.8 | N976 | E834-N976 PolarHBondContact OE1-ND2 2.95Š|
| 835 | A | 33.9 | Very low | 30 | Very low | 54 Ų | 54 | 75.3 Ų | 75.3 | 45% | 0.446 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -122.2 | -148 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L833 P865 | L833-A835 WeakPolarHBondContact CD1-O 3.46Å; L833-A835 HydrophobicContact CD2-CB 4.17Å; L833-A835 WeakPolarHBondContact CD2-O 3.5Å; A835-P865 WeakPolarHBondContact O-CD 3.25Å |
| 836 | P | 38.5 | Very low | 30.9 | Very low | 73 Ų | 73 | 72.3 Ų | 72.3 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | trans | -93.1 | 129.2 | 155.7 | -19.2 | 35.6 | 0 | 0 | 0 | 115.4 | L833 V862 Y863 Y864 | L833-P836 VanDerWaalsContact CD2-C 3.42Å; P836-V862 HydrophobicContact CB-CG1 3.98Å; P836-Y863 WeakPolarHBondContact CA-O 3.37Å; P836-Y863 VanDerWaalsContact CB-O 3.23Å; P836-Y863 WeakPolarHBondContact CB-O 3.39Å; P836-Y864 HydrophobicContact CB-CD1 4.41Å; P836-Y864 HydrophobicContact CB-CE1 4.44Å; P836-Y864 HydrophobicContact CG-CD1 4.08Å; P836-Y864 HydrophobicContact CG-CE1 4.34Å | ||
| 837 | F | 38 | Very low | 31.8 | Very low | 29 Ų | 29 | 70.1 Ų | 70.1 | 13% | 0.127 | 38% | 0.376 | C | S | . | . | trans | -106.7 | 168.5 | 166.5 | 67.4 | -153.1 | 0 | 0 | 0 | 108.7 | I831 N832 L833 L839 F852 V862 Y863 | I831-F837 HydrophobicContact CB-CD1 3.42Å; I831-F837 VanDerWaalsContact CB-CD1 3.42Å; I831-F837 HydrophobicContact CB-CE1 3.93Å; I831-F837 HydrophobicContact CB-CG 4.08Å; I831-F837 HydrophobicContact CG2-CB 4.11Å; I831-F837 HydrophobicContact CG2-CD1 3.52Å; I831-F837 HydrophobicContact CG2-CE1 4.41Å; I831-F837 HydrophobicContact CG2-CG 4.1Å; I831-F837 WeakPolarHBondContact O-CE1 3.29Å; N832-F837 WeakPolarHBondContact O-CD1 3.2Å; L833-F837 HydrophobicContact CB-CD1 4.12Å; L833-F837 HydrophobicContact CB-CE1 4.16Å; L833-F837 HydrophobicContact CD1-CB 3.59Å; L833-F837 HydrophobicContact CD1-CD1 3.5Å; L833-F837 VanDerWaalsContact CD1-CD1 3.5Å; L833-F837 HydrophobicContact CD1-CD2 3.45Å; L833-F837 VanDerWaalsContact CD1-CD2 3.45Å; L833-F837 HydrophobicContact CD1-CE1 3.78Å; L833-F837 HydrophobicContact CD1-CE2 3.74Å; L833-F837 HydrophobicContact CD1-CG 3.24Å; L833-F837 HydrophobicContact CD1-CZ 3.89Å; L833-F837 HydrophobicContact CD2-CB 3.65Å; L833-F837 HydrophobicContact CD2-CD1 4.25Å; L833-F837 HydrophobicContact CD2-CG 4.17Å; L833-F837 VanDerWaalsContact CD2-N 3.26Å; L833-F837 HydrophobicContact CG-CB 3.51Å; L833-F837 HydrophobicContact CG-CD1 3.27Å; L833-F837 HydrophobicContact CG-CD2 4.15Å; L833-F837 HydrophobicContact CG-CE1 3.75Å; L833-F837 HydrophobicContact CG-CG 3.41Å; L833-F837 VanDerWaalsContact CG-CG 3.41Å; L833-F837 HydrophobicContact CG-CZ 4.38Å; F837-L839 HydrophobicContact CD1-CD2 4.4Å; F837-L839 HydrophobicContact CD2-CD2 4.09Å; F837-L839 HydrophobicContact CD2-CG 3.86Å; F837-L839 HydrophobicContact CE1-CD2 4.23Å; F837-L839 HydrophobicContact CE2-CD1 3.96Å; F837-L839 HydrophobicContact CE2-CD2 3.86Å; F837-L839 HydrophobicContact CE2-CG 3.54Å; F837-L839 HydrophobicContact CG-CD2 4.44Å; F837-L839 HydrophobicContact CZ-CD1 4.25Å; F837-L839 HydrophobicContact CZ-CD2 3.96Å; F837-L839 HydrophobicContact CZ-CG 4.05Å; F837-F852 AromaticContact CE2-CE1 3.59Å; F837-F852 HydrophobicContact CE2-CE1 3.59Å; F837-F852 AromaticContact CE2-CZ 3.59Å; F837-F852 HydrophobicContact CE2-CZ 3.59Å; F837-F852 HydrophobicContact CZ-CE1 4.33Å; F837-F852 AromaticContact CZ-CZ 3.89Å; F837-F852 HydrophobicContact CZ-CZ 3.89Å; F837-V862 VanDerWaalsContact O-CA 3.27Å; F837-V862 WeakPolarHBondContact O-CA 3.28Å; F837-V862 WeakPolarHBondContact O-CG1 3.39Å; F837-Y863 PolarHBondContact O-N 2.71Å | ||
| 838 | K | 35.7 | Very low | 32.5 | Very low | 80 Ų | 80 | 70.8 Ų | 70.8 | 35% | 0.348 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 95.5 | 177.7 | -48.6 | -155 | 174.8 | -172.1 | 0 | 108.1 | I831 D855 L858 H860 C861 V862 | I831-K838 WeakPolarHBondContact CD1-O 3.49Å; K838-D855 IonicContact NZ-OD2 3.96Å; K838-D855 PolarHBondContact NZ-OD2 3.26Å; K838-L858 HydrophobicContact CD-CD1 3.79Å; K838-L858 VanDerWaalsContact NZ-CD1 3.34Å; K838-H860 HydrophobicContact CB-CB 3.68Å; K838-C861 CarbonylContact C-O 3.25Å; K838-C861 WeakPolarHBondContact CA-O 3.07Å; K838-V862 HydrophobicContact CB-CG2 4.08Å; K838-V862 HydrophobicContact CD-CG2 3.81Å; K838-V862 HydrophobicContact CG-CG1 4.36Å; K838-V862 HydrophobicContact CG-CG2 3.7Å |
| 839 | L | 32.9 | Very low | 33.1 | Very low | 19 Ų | 19 | 69.1 Ų | 69.1 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 145.4 | 170.3 | -62.4 | -177.5 | 0 | 0 | 0 | 109.2 | L829 I831 F837 F852 H860 C861 | L829-L839 HydrophobicContact CD2-CD1 3.97Å; L829-L839 HydrophobicContact CD2-CD2 4.07Å; L829-L839 HydrophobicContact CD2-CG 4.42Å; I831-L839 HydrophobicContact CB-CD2 3.72Å; I831-L839 HydrophobicContact CD1-CD2 3.88Å; I831-L839 HydrophobicContact CG1-CD2 3.59Å; F837-L839 HydrophobicContact CD1-CD2 4.4Å; F837-L839 HydrophobicContact CD2-CD2 4.09Å; F837-L839 HydrophobicContact CD2-CG 3.86Å; F837-L839 HydrophobicContact CE1-CD2 4.23Å; F837-L839 HydrophobicContact CE2-CD1 3.96Å; F837-L839 HydrophobicContact CE2-CD2 3.86Å; F837-L839 HydrophobicContact CE2-CG 3.54Å; F837-L839 HydrophobicContact CG-CD2 4.44Å; F837-L839 HydrophobicContact CZ-CD1 4.25Å; F837-L839 HydrophobicContact CZ-CD2 3.96Å; F837-L839 HydrophobicContact CZ-CG 4.05Å; L839-F852 HydrophobicContact CD1-CE1 3.75Å; L839-F852 HydrophobicContact CD1-CZ 4Å; L839-F852 HydrophobicContact CG-CE1 4.31Å; L839-H860 CarbonylContact O-C 3.59Å; L839-H860 WeakPolarHBondContact O-CA 3.24Å; L839-H860 WeakPolarHBondContact O-CB 3.43Å; L839-C861 HydrophobicContact CB-CB 4.22Å; L839-C861 PolarHBondContact N-O 3.23Å; L839-C861 PolarHBondContact O-N 3.08Å |
| 840 | P | 31.8 | Very low | 33.5 | Very low | 22 Ų | 22 | 71.8 Ų | 71.8 | 14% | 0.143 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 144.9 | 167.3 | -24.4 | 36.3 | 0 | 0 | 0 | 112 | I827 K828 V842 | I827-P840 HydrophobicContact CB-CB 3.82Å; I827-P840 HydrophobicContact CG2-CB 3.5Å; I827-P840 VanDerWaalsContact CG2-CB 3.5Å; I827-P840 HydrophobicContact CG2-CG 3.76Å; K828-P840 VanDerWaalsContact O-CB 3.3Å; K828-P840 WeakPolarHBondContact O-CB 3.43Å; K828-P840 VanDerWaalsContact O-CD 3.28Å; K828-P840 WeakPolarHBondContact O-CD 3.17Å; K828-P840 WeakPolarHBondContact O-CG 3.1Å; P840-V842 PolarHBondContact O-N 2.8Å; P840-V842 VanDerWaalsContact O-N 3.15Å |
| 841 | A | 33.5 | Very low | 34.2 | Very low | 34 Ų | 34 | 67.3 Ų | 67.3 | 28% | 0.281 | 37% | 0.368 | S | S | . | . | trans | -71.2 | 110.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y843 H859 | A841-Y843 HydrophobicContact CB-CD2 4.35Å; A841-Y843 HydrophobicContact CB-CE2 4.15Å; A841-H859 WeakPolarHBondContact CB-O 3.29Å | ||
| 842 | V | 37 | Very low | 35.2 | Very low | 69 Ų | 69 | 64.5 Ų | 64.5 | 42% | 0.418 | 35% | 0.352 | S | S | . | . | trans | -110 | 105.9 | 147.2 | -172 | 0 | 0 | 0 | 0 | 105.5 | P840 Q844 P845 C846 | P840-V842 PolarHBondContact O-N 2.8Å; P840-V842 VanDerWaalsContact O-N 3.15Å; V842-Q844 PolarHBondContact O-N 2.74Å; V842-P845 HydrophobicContact CG1-CG 4.08Å; V842-C846 PolarHBondContact O-SG 3.21Å | ||
| 843 | Y | 33.9 | Very low | 36.3 | Very low | 131 Ų | 131 | 61.9 Ų | 61.9 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | -160.3 | -86.1 | -94.6 | 0 | 0 | 0 | 114.3 | A841 V854 | A841-Y843 HydrophobicContact CB-CD2 4.35Å; A841-Y843 HydrophobicContact CB-CE2 4.15Å; Y843-V854 HydrophobicContact CD1-CG2 4.17Å; Y843-V854 HydrophobicContact CE1-CG1 3.97Å; Y843-V854 HydrophobicContact CE1-CG2 4.43Å |
| 844 | Q | 35.9 | Very low | 37.2 | Very low | 18 Ų | 18 | 61.2 Ų | 61.2 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -79.2 | -49.4 | -169.6 | -139.6 | 89.6 | 9.6 | 0 | 0 | 116.3 | V842 C846 Q847 A848 H1353 Q1410 A1411 | V842-Q844 PolarHBondContact O-N 2.74Å; Q844-C846 PolarHBondContact O-N 3.39Å; Q844-C846 VanDerWaalsContact O-N 3.1Å; Q844-Q847 PolarHBondContact O-N 3.4Å; Q844-A848 PolarHBondContact O-N 3.14Å; Q844-H1353 HydrophobicContact CB-CB 4.19Å; Q844-H1353 WeakPolarHBondContact CB-CD2 3.12Å; Q844-H1353 VanDerWaalsContact CB-CG 3.49Å; Q844-H1353 WeakPolarHBondContact CB-NE2 3.49Å; Q844-H1353 HydrophobicContact CG-CB 3.51Å; Q844-H1353 VanDerWaalsContact NE2-N 3.18Å; Q844-Q1410 PolarHBondContact NE2-O 3.29Å; Q844-A1411 VanDerWaalsContact NE2-CA 3.31Å |
| 845 | P | 35.6 | Very low | 37.9 | Very low | 66 Ų | 66 | 55.5 Ų | 55.5 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -27.7 | -176.4 | -25.4 | 36.1 | 0 | 0 | 0 | 112.5 | V842 I849 | V842-P845 HydrophobicContact CG1-CG 4.08Å; P845-I849 WeakPolarHBondContact O-CD1 3.34Å; P845-I849 WeakPolarHBondContact O-CG1 3.39Å |
| 846 | C | 36.6 | Very low | 38.4 | Very low | 10 Ų | 10 | 56.8 Ų | 56.8 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -54.6 | 170.1 | -67.5 | 0 | 0 | 0 | 0 | 112 | V842 Q844 A848 I849 F852 C861 | V842-C846 PolarHBondContact O-SG 3.21Å; Q844-C846 PolarHBondContact O-N 3.39Å; Q844-C846 VanDerWaalsContact O-N 3.1Å; C846-A848 PolarHBondContact O-N 3.49Å; C846-I849 PolarHBondContact O-N 2.93Å; C846-I849 VanDerWaalsContact O-N 3.14Å; C846-F852 HydrophobicContact CB-CD1 4.44Å; C846-F852 WeakPolarHBondContact O-CB 3.37Å; C846-C861 HydrophobicContact CB-CB 3.79Å; C846-C861 WeakPolarHBondContact CB-SG 3.38Å; C846-C861 WeakPolarHBondContact SG-CB 3.45Å; C846-C861 CovalentContact SG-SG 2.02Å; C846-C861 PolarHBondContact SG-SG 3.11Å |
| 847 | Q | 40.3 | Very low | 38.5 | Very low | 43 Ų | 43 | 62 Ų | 62 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67 | -17.5 | -179.9 | -74.6 | -164 | -28.6 | 0 | 0 | 114.6 | Q844 I849 A1412 | Q844-Q847 PolarHBondContact O-N 3.4Å; Q847-I849 VanDerWaalsContact C-N 3.31Å; Q847-A1412 HydrophobicContact CB-CB 3.74Å; Q847-A1412 HydrophobicContact CG-CB 4.01Å; Q847-A1412 PolarHBondContact NE2-O 3.06Å; Q847-A1412 PolarHBondContact OE1-O 3.03Å |
| 848 | A | 38.4 | Very low | 38.7 | Very low | 84 Ų | 84 | 64.8 Ų | 64.8 | 69% | 0.694 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -9.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q844 C846 | Q844-A848 PolarHBondContact O-N 3.14Å; C846-A848 PolarHBondContact O-N 3.49Å |
| 849 | I | 32.1 | Very low | 38.9 | Very low | 93 Ų | 93 | 66.9 Ų | 66.9 | 48% | 0.477 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -110.9 | 126.2 | -177.4 | -58.9 | 169.3 | 0 | 0 | 0 | 109.6 | P845 C846 Q847 F852 | P845-I849 WeakPolarHBondContact O-CD1 3.34Å; P845-I849 WeakPolarHBondContact O-CG1 3.39Å; C846-I849 PolarHBondContact O-N 2.93Å; C846-I849 VanDerWaalsContact O-N 3.14Å; Q847-I849 VanDerWaalsContact C-N 3.31Å; I849-F852 HydrophobicContact CB-CD2 3.78Å; I849-F852 HydrophobicContact CB-CE2 4.45Å; I849-F852 HydrophobicContact CD1-CD2 4.44Å; I849-F852 HydrophobicContact CD1-CE2 4.37Å; I849-F852 HydrophobicContact CG2-CD2 3.63Å; I849-F852 HydrophobicContact CG2-CE2 4.08Å; I849-F852 PolarHBondContact O-N 3Å; I849-F852 VanDerWaalsContact O-N 3.12Å |
| 850 | E | 36.2 | Very low | 39.1 | Very low | 162 Ų | 162 | 67.9 Ų | 67.9 | 76% | 0.757 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 141.5 | 175.1 | -173.9 | 173 | -152.6 | 0 | 0 | 111 | F852 | E850-F852 VanDerWaalsContact C-N 3.3Å; E850-F852 PolarHBondContact O-N 3.13Å |
| 851 | N | 42.6 | Very low | 39.6 | Very low | 20 Ų | 20 | 66.8 Ų | 66.8 | 11% | 0.107 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 5 | -171.4 | -63.4 | -26.5 | 0 | 0 | 0 | 116.6 | Y863 Y864 K866 | N851-Y863 HydrophobicContact CB-CD2 3.95Å; N851-Y863 HydrophobicContact CB-CE2 3.58Å; N851-Y863 CarbonylContact O-C 3.46Å; N851-Y863 WeakPolarHBondContact O-CA 3.47Å; N851-Y863 WeakPolarHBondContact O-CD2 3.2Å; N851-Y864 VanDerWaalsContact CB-O 3.3Å; N851-Y864 WeakPolarHBondContact CB-O 3.29Å; N851-Y864 PolarHBondContact O-N 2.88Å; N851-K866 PolarHBondContact ND2-N 3.3Å; N851-K866 VanDerWaalsContact ND2-N 3.19Å; N851-K866 WeakPolarHBondContact OD1-CB 3.06Å; N851-K866 WeakPolarHBondContact OD1-CD 3.43Å; N851-K866 VanDerWaalsContact OD1-CG 3.27Å; N851-K866 WeakPolarHBondContact OD1-CG 3.09Å |
| 852 | F | 43.4 | Very low | 40 | Very low | 31 Ų | 31 | 65.2 Ų | 65.2 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.8 | 166.3 | -90.3 | -89.5 | 0 | 0 | 0 | 112.6 | F837 L839 C846 I849 E850 C861 V862 Y863 | F837-F852 AromaticContact CE2-CE1 3.59Å; F837-F852 HydrophobicContact CE2-CE1 3.59Å; F837-F852 AromaticContact CE2-CZ 3.59Å; F837-F852 HydrophobicContact CE2-CZ 3.59Å; F837-F852 HydrophobicContact CZ-CE1 4.33Å; F837-F852 AromaticContact CZ-CZ 3.89Å; F837-F852 HydrophobicContact CZ-CZ 3.89Å; L839-F852 HydrophobicContact CD1-CE1 3.75Å; L839-F852 HydrophobicContact CD1-CZ 4Å; L839-F852 HydrophobicContact CG-CE1 4.31Å; C846-F852 HydrophobicContact CB-CD1 4.44Å; C846-F852 WeakPolarHBondContact O-CB 3.37Å; I849-F852 HydrophobicContact CB-CD2 3.78Å; I849-F852 HydrophobicContact CB-CE2 4.45Å; I849-F852 HydrophobicContact CD1-CD2 4.44Å; I849-F852 HydrophobicContact CD1-CE2 4.37Å; I849-F852 HydrophobicContact CG2-CD2 3.63Å; I849-F852 HydrophobicContact CG2-CE2 4.08Å; I849-F852 PolarHBondContact O-N 3Å; I849-F852 VanDerWaalsContact O-N 3.12Å; E850-F852 VanDerWaalsContact C-N 3.3Å; E850-F852 PolarHBondContact O-N 3.13Å; F852-C861 WeakPolarHBondContact CD1-SG 3.11Å; F852-C861 WeakPolarHBondContact CE1-SG 3.35Å; F852-V862 WeakPolarHBondContact CA-O 3.19Å; F852-Y863 AromaticContact CD2-CD2 3.51Å; F852-Y863 HydrophobicContact CD2-CD2 3.51Å; F852-Y863 HydrophobicContact CD2-CE2 4.27Å; F852-Y863 HydrophobicContact CD2-CG 4.35Å; F852-Y863 AromaticContact CE2-CD2 3.6Å; F852-Y863 HydrophobicContact CE2-CD2 3.6Å; F852-Y863 HydrophobicContact CE2-CE2 4.32Å; F852-Y863 HydrophobicContact CE2-CG 4.18Å; F852-Y863 HydrophobicContact CG-CD2 4.1Å; F852-Y863 HydrophobicContact CZ-CD2 4.28Å; F852-Y863 HydrophobicContact CZ-CG 4.43Å |
| 853 | N | 47.1 | Very low | 40.4 | Very low | 76 Ų | 76 | 64 Ų | 64 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 173.8 | 177.2 | -90.3 | -21.1 | 0 | 0 | 0 | 110.4 | C861 V862 Y864 | N853-C861 CarbonylContact O-C 3.32Å; N853-C861 WeakPolarHBondContact O-CA 3.43Å; N853-V862 PolarHBondContact N-O 3.5Å; N853-V862 PolarHBondContact O-N 3.35Å; N853-Y864 HydrophobicContact CB-CD2 4.02Å; N853-Y864 HydrophobicContact CB-CE2 3.92Å |
| 854 | V | 47.4 | Very low | 41.1 | Very low | 27 Ų | 27 | 62.5 Ų | 62.5 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.6 | 165.8 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | Y843 H860 | Y843-V854 HydrophobicContact CD1-CG2 4.17Å; Y843-V854 HydrophobicContact CE1-CG1 3.97Å; Y843-V854 HydrophobicContact CE1-CG2 4.43Å; V854-H860 WeakPolarHBondContact CA-O 3.09Å |
| 855 | D | 45.6 | Very low | 41.3 | Very low | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 119.3 | 174.6 | 174.8 | -30.8 | 0 | 0 | 0 | 108.8 | K838 E857 L858 H859 H860 V862 | K838-D855 IonicContact NZ-OD2 3.96Å; K838-D855 PolarHBondContact NZ-OD2 3.26Å; D855-E857 PolarHBondContact OD1-N 3.44Å; D855-L858 PolarHBondContact OD1-N 2.95Å; D855-L858 VanDerWaalsContact OD1-N 3.12Å; D855-H859 WeakPolarHBondContact O-CA 3.15Å; D855-H859 PolarHBondContact O-N 3.18Å; D855-H859 VanDerWaalsContact O-N 3.17Å; D855-H860 PolarHBondContact N-O 3.27Å; D855-H860 PolarHBondContact O-N 2.69Å; D855-V862 HydrophobicContact CB-CG2 3.49Å; D855-V862 VanDerWaalsContact CB-CG2 3.49Å |
| 856 | A | 44.1 | Very low | 41.5 | Very low | 81 Ų | 81 | 68.9 Ų | 68.9 | 67% | 0.669 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -29.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 857 | E | 39.9 | Very low | 41.5 | Very low | 184 Ų | 184 | 70.8 Ų | 70.8 | 86% | 0.86 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -31.6 | -177.3 | -63 | -169.9 | 146.9 | 0 | 0 | 111.9 | D855 | D855-E857 PolarHBondContact OD1-N 3.44Š|
| 858 | L | 43.2 | Very low | 41 | Very low | 87 Ų | 87 | 77.2 Ų | 77.2 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -3.5 | -177.6 | -66.5 | 168.9 | 0 | 0 | 0 | 114.2 | K838 D855 H860 | K838-L858 HydrophobicContact CD-CD1 3.79Å; K838-L858 VanDerWaalsContact NZ-CD1 3.34Å; D855-L858 PolarHBondContact OD1-N 2.95Å; D855-L858 VanDerWaalsContact OD1-N 3.12Å; L858-H860 VanDerWaalsContact C-N 3.25Å; L858-H860 PolarHBondContact O-CD2 3.4Å; L858-H860 VanDerWaalsContact O-CD2 3.32Å; L858-H860 PolarHBondContact O-CE1 3.42Å; L858-H860 VanDerWaalsContact O-CG 3.3Å; L858-H860 PolarHBondContact O-N 2.79Å; L858-H860 PolarHBondContact O-ND1 3.4Å; L858-H860 PolarHBondContact O-NE2 2.78Å |
| 859 | H | 40.4 | Very low | 40.3 | Very low | 123 Ų | 123 | 83.4 Ų | 83.4 | 57% | 0.569 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 45.8 | -174.5 | -65.3 | -40.2 | 0 | 0 | 0 | 112.9 | A841 D855 | A841-H859 WeakPolarHBondContact CB-O 3.29Å; D855-H859 WeakPolarHBondContact O-CA 3.15Å; D855-H859 PolarHBondContact O-N 3.18Å; D855-H859 VanDerWaalsContact O-N 3.17Å |
| 860 | H | 35.5 | Very low | 40 | Very low | 40 Ų | 40 | 82 Ų | 82 | 19% | 0.185 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 158.2 | -178.2 | -64.9 | 152.2 | 0 | 0 | 0 | 111.4 | K838 L839 V854 D855 L858 | K838-H860 HydrophobicContact CB-CB 3.68Å; L839-H860 CarbonylContact O-C 3.59Å; L839-H860 WeakPolarHBondContact O-CA 3.24Å; L839-H860 WeakPolarHBondContact O-CB 3.43Å; V854-H860 WeakPolarHBondContact CA-O 3.09Å; D855-H860 PolarHBondContact N-O 3.27Å; D855-H860 PolarHBondContact O-N 2.69Å; L858-H860 VanDerWaalsContact C-N 3.25Å; L858-H860 PolarHBondContact O-CD2 3.4Å; L858-H860 VanDerWaalsContact O-CD2 3.32Å; L858-H860 PolarHBondContact O-CE1 3.42Å; L858-H860 VanDerWaalsContact O-CG 3.3Å; L858-H860 PolarHBondContact O-N 2.79Å; L858-H860 PolarHBondContact O-ND1 3.4Å; L858-H860 PolarHBondContact O-NE2 2.78Å |
| 861 | C | 42.1 | Very low | 39.6 | Very low | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.8 | 178.8 | 147.2 | 0 | 0 | 0 | 0 | 109.7 | K838 L839 C846 F852 N853 | K838-C861 CarbonylContact C-O 3.25Å; K838-C861 WeakPolarHBondContact CA-O 3.07Å; L839-C861 HydrophobicContact CB-CB 4.22Å; L839-C861 PolarHBondContact N-O 3.23Å; L839-C861 PolarHBondContact O-N 3.08Å; C846-C861 HydrophobicContact CB-CB 3.79Å; C846-C861 WeakPolarHBondContact CB-SG 3.38Å; C846-C861 WeakPolarHBondContact SG-CB 3.45Å; C846-C861 CovalentContact SG-SG 2.02Å; C846-C861 PolarHBondContact SG-SG 3.11Å; F852-C861 WeakPolarHBondContact CD1-SG 3.11Å; F852-C861 WeakPolarHBondContact CE1-SG 3.35Å; N853-C861 CarbonylContact O-C 3.32Å; N853-C861 WeakPolarHBondContact O-CA 3.43Å |
| 862 | V | 43 | Very low | 38.7 | Very low | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.3 | -164.5 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | P836 F837 K838 F852 N853 D855 Y864 | P836-V862 HydrophobicContact CB-CG1 3.98Å; F837-V862 VanDerWaalsContact O-CA 3.27Å; F837-V862 WeakPolarHBondContact O-CA 3.28Å; F837-V862 WeakPolarHBondContact O-CG1 3.39Å; K838-V862 HydrophobicContact CB-CG2 4.08Å; K838-V862 HydrophobicContact CD-CG2 3.81Å; K838-V862 HydrophobicContact CG-CG1 4.36Å; K838-V862 HydrophobicContact CG-CG2 3.7Å; F852-V862 WeakPolarHBondContact CA-O 3.19Å; N853-V862 PolarHBondContact N-O 3.5Å; N853-V862 PolarHBondContact O-N 3.35Å; D855-V862 HydrophobicContact CB-CG2 3.49Å; D855-V862 VanDerWaalsContact CB-CG2 3.49Å; V862-Y864 HydrophobicContact CB-CD2 4.36Å; V862-Y864 HydrophobicContact CB-CE2 3.67Å; V862-Y864 HydrophobicContact CG1-CD2 4.04Å; V862-Y864 HydrophobicContact CG1-CE1 4.06Å; V862-Y864 HydrophobicContact CG1-CE2 3.43Å; V862-Y864 VanDerWaalsContact CG1-CE2 3.43Å; V862-Y864 VanDerWaalsContact CG1-CZ 3.44Å |
| 863 | Y | 45.5 | Very low | 37.7 | Very low | 45 Ų | 45 | 88.6 Ų | 88.6 | 18% | 0.176 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.5 | 176.1 | 179.3 | -109.7 | 0 | 0 | 0 | 110.7 | L833 P836 F837 N851 F852 P865 | L833-Y863 HydrophobicContact CD1-CD1 3.58Å; L833-Y863 HydrophobicContact CD1-CG 4.11Å; P836-Y863 WeakPolarHBondContact CA-O 3.37Å; P836-Y863 VanDerWaalsContact CB-O 3.23Å; P836-Y863 WeakPolarHBondContact CB-O 3.39Å; F837-Y863 PolarHBondContact O-N 2.71Å; N851-Y863 HydrophobicContact CB-CD2 3.95Å; N851-Y863 HydrophobicContact CB-CE2 3.58Å; N851-Y863 CarbonylContact O-C 3.46Å; N851-Y863 WeakPolarHBondContact O-CA 3.47Å; N851-Y863 WeakPolarHBondContact O-CD2 3.2Å; F852-Y863 AromaticContact CD2-CD2 3.51Å; F852-Y863 HydrophobicContact CD2-CD2 3.51Å; F852-Y863 HydrophobicContact CD2-CE2 4.27Å; F852-Y863 HydrophobicContact CD2-CG 4.35Å; F852-Y863 AromaticContact CE2-CD2 3.6Å; F852-Y863 HydrophobicContact CE2-CD2 3.6Å; F852-Y863 HydrophobicContact CE2-CE2 4.32Å; F852-Y863 HydrophobicContact CE2-CG 4.18Å; F852-Y863 HydrophobicContact CG-CD2 4.1Å; F852-Y863 HydrophobicContact CZ-CD2 4.28Å; F852-Y863 HydrophobicContact CZ-CG 4.43Å; Y863-P865 HydrophobicContact CD1-CB 4.43Å; Y863-P865 HydrophobicContact CD1-CG 4.36Å; Y863-P865 HydrophobicContact CE1-CB 3.73Å; Y863-P865 HydrophobicContact CE1-CG 4.07Å |
| 864 | Y | 48.7 | Very low | 36.6 | Very low | 99 Ų | 99 | 89.9 Ų | 89.9 | 39% | 0.388 | 46% | 0.459 | S | S | . | . | trans | -124.6 | 86.1 | -178 | -68.8 | -81.1 | 0 | 0 | 0 | 109.7 | P836 N851 N853 V862 K866 | P836-Y864 HydrophobicContact CB-CD1 4.41Å; P836-Y864 HydrophobicContact CB-CE1 4.44Å; P836-Y864 HydrophobicContact CG-CD1 4.08Å; P836-Y864 HydrophobicContact CG-CE1 4.34Å; N851-Y864 VanDerWaalsContact CB-O 3.3Å; N851-Y864 WeakPolarHBondContact CB-O 3.29Å; N851-Y864 PolarHBondContact O-N 2.88Å; N853-Y864 HydrophobicContact CB-CD2 4.02Å; N853-Y864 HydrophobicContact CB-CE2 3.92Å; V862-Y864 HydrophobicContact CB-CD2 4.36Å; V862-Y864 HydrophobicContact CB-CE2 3.67Å; V862-Y864 HydrophobicContact CG1-CD2 4.04Å; V862-Y864 HydrophobicContact CG1-CE1 4.06Å; V862-Y864 HydrophobicContact CG1-CE2 3.43Å; V862-Y864 VanDerWaalsContact CG1-CE2 3.43Å; V862-Y864 VanDerWaalsContact CG1-CZ 3.44Å; Y864-K866 PolarHBondContact O-N 3.43Å | ||
| 865 | P | 40.3 | Very low | 35.3 | Very low | 55 Ų | 55 | 91.4 Ų | 91.4 | 36% | 0.357 | 47% | 0.468 | S | S | . | . | trans | -61.5 | 108.7 | -173.6 | 22.5 | -31.8 | 0 | 0 | 0 | 112.3 | A835 Y863 G867 | A835-P865 WeakPolarHBondContact O-CD 3.25Å; Y863-P865 HydrophobicContact CD1-CB 4.43Å; Y863-P865 HydrophobicContact CD1-CG 4.36Å; Y863-P865 HydrophobicContact CE1-CB 3.73Å; Y863-P865 HydrophobicContact CE1-CG 4.07Å; P865-G867 PolarHBondContact O-N 2.83Å | ||
| 866 | K | 38.7 | Very low | 34.2 | Very low | 163 Ų | 163 | 96.1 Ų | 96.1 | 71% | 0.709 | 48% | 0.484 | S | S | * | . | trans | -79.9 | 100.8 | 177.9 | -75.6 | -177.2 | 178.8 | 173.1 | 0 | 112 | N851 Y864 | N851-K866 PolarHBondContact ND2-N 3.3Å; N851-K866 VanDerWaalsContact ND2-N 3.19Å; N851-K866 WeakPolarHBondContact OD1-CB 3.06Å; N851-K866 WeakPolarHBondContact OD1-CD 3.43Å; N851-K866 VanDerWaalsContact OD1-CG 3.27Å; N851-K866 WeakPolarHBondContact OD1-CG 3.09Å; Y864-K866 PolarHBondContact O-N 3.43Å | ||
| 867 | G | 36.6 | Very low | 33.3 | Very low | 50 Ų | 50 | 96 Ų | 96 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 107.9 | 159.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P865 R869 | P865-G867 PolarHBondContact O-N 2.83Å; G867-R869 PolarHBondContact O-N 3.33Å |
| 868 | N | 30.8 | Very low | 32.5 | Very low | 178 Ų | 178 | 96.1 Ų | 96.1 | 95% | 0.952 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -77.5 | 43.5 | -171.5 | -60.3 | 7.3 | 0 | 0 | 0 | 113.3 | ||
| 869 | R | 24.1 | Very low | 31.6 | Very low | 213 Ų | 213 | 97.5 Ų | 97.5 | 80% | 0.804 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -145.7 | 123.6 | 175.1 | -66.8 | -174.3 | 179.5 | 178.5 | 1 | 109 | G867 | G867-R869 PolarHBondContact O-N 3.33Š|
| 870 | S | 25.8 | Very low | 30.8 | Very low | 65 Ų | 65 | 97.9 Ų | 97.9 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | trans | -64.7 | 136.4 | 170.4 | 28.9 | 0 | 0 | 0 | 0 | 110.9 | N976 | S870-N976 WeakPolarHBondContact CB-OD1 3.32Å; S870-N976 VanDerWaalsContact OG-CG 3.32Å; S870-N976 PolarHBondContact OG-OD1 2.97Å | ||
| 871 | H | 26.8 | Very low | 30.3 | Very low | 122 Ų | 122 | 101.8 Ų | 101.8 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | trans | -93.5 | 134.6 | 173.1 | -67.9 | 155.8 | 0 | 0 | 0 | 109.7 | ||||
| 872 | I | 23.3 | Very low | 29.4 | Very low | 70 Ų | 70 | 107.9 Ų | 107.9 | 36% | 0.359 | 56% | 0.556 | S | S | . | * | trans | -138.5 | 138.3 | -159.4 | -60.5 | 175.7 | 0 | 0 | 0 | 110.4 | L874 F974 N976 | I872-L874 HydrophobicContact CG2-CD1 4.38Å; I872-L874 HydrophobicContact CG2-CG 4.11Å; I872-F974 WeakPolarHBondContact CG2-O 3.21Å; I872-N976 HydrophobicContact CD1-CB 4Å | ||
| 873 | M | 23.4 | Very low | 28.5 | Very low | 158 Ų | 158 | 114.8 Ų | 114.8 | 78% | 0.778 | 59% | 0.592 | S | S | * | * | trans | -119.8 | 112.2 | 178.1 | -175.4 | 176.3 | -176.9 | 0 | 0 | 109.9 | F974 | M873-F974 WeakPolarHBondContact O-CB 3.29Š| ||
| 874 | L | 22.3 | Very low | 27.5 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | trans | -96.9 | 129.7 | -164.5 | -74.3 | 128.2 | 0 | 0 | 0 | 115.2 | I872 V973 | I872-L874 HydrophobicContact CG2-CD1 4.38Å; I872-L874 HydrophobicContact CG2-CG 4.11Å; L874-V973 HydrophobicContact CD2-CG1 3.84Å | ||
| 875 | V | 22.1 | Very low | 26.3 | Very low | 60 Ų | 60 | 121.3 Ų | 121.3 | 36% | 0.364 | 64% | 0.636 | S | S | . | * | trans | -142.8 | 151.7 | 163.8 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | F924 | V875-F924 HydrophobicContact CG1-CE1 3.91Å; V875-F924 HydrophobicContact CG1-CZ 3.66Å | ||
| 876 | W | 22.5 | Very low | 25.5 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 46% | 0.462 | 65% | 0.65 | S | S | . | * | trans | -121.7 | 121.7 | -164.2 | -178.4 | -61 | 0 | 0 | 0 | 114.6 | V1025 | W876-V1025 HydrophobicContact CZ3-CG1 4Š| ||
| 877 | P | 23.7 | Very low | 24.8 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 51% | 0.506 | 65% | 0.652 | S | S | . | * | trans | -101.2 | -176.9 | 166.3 | -8.6 | 29.7 | 0 | 0 | 0 | 116.4 | ||||
| 878 | R | 24.5 | Very low | 24.3 | Very low | 188 Ų | 188 | 128.4 Ų | 128.4 | 71% | 0.709 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 162.7 | -160.1 | -146.2 | 175 | -166.7 | 152.9 | 5.9 | 115.3 | D948 | R878-D948 IonicContact NH2-OD2 3.57Å; R878-D948 PolarHBondContact NH2-OD2 2.86Å |
| 879 | V | 23.9 | Very low | 24 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 70% | 0.703 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 148.3 | -171.2 | 167.5 | 0 | 0 | 0 | 0 | 114 | ||
| 880 | V | 23.9 | Very low | 24 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 151.4 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 881 | S | 24.3 | Very low | 24 | Very low | 121 Ų | 121 | 123 Ų | 123 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | trans | -142.4 | 128.1 | 160.1 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 882 | N | 23.6 | Very low | 23.9 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 68% | 0.684 | 69% | 0.686 | S | S | * | * | trans | -116.2 | 148.5 | 176.2 | -175.8 | 16.2 | 0 | 0 | 0 | 109.6 | ||||
| 883 | L | 24.5 | Very low | 24 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | -178.1 | 89.3 | 150.7 | -105.4 | 158.5 | 0 | 0 | 0 | 110 | D885 | L883-D885 HydrophobicContact CD2-CB 4.1Š| ||
| 884 | N | 24.3 | Very low | 23.9 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -76.4 | 131.1 | 135.2 | -80.9 | -11 | 0 | 0 | 0 | 106.8 | ||||
| 885 | D | 22.9 | Very low | 23.9 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | -152.5 | 140.9 | 145.3 | -103.3 | -37.4 | 0 | 0 | 0 | 108.4 | L883 | L883-D885 HydrophobicContact CD2-CB 4.1Š| ||
| 886 | T | 24 | Very low | 23.9 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 64% | 0.638 | 75% | 0.747 | S | S | * | * | trans | -102.8 | -158.8 | -173.6 | 52 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 887 | I | 24.4 | Very low | 23.9 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 78.6 | 90.6 | 172.7 | -47.4 | 173 | 0 | 0 | 0 | 115.4 | G889 | I887-G889 PolarHBondContact O-N 2.98Š| ||
| 888 | N | 25.1 | Very low | 23.9 | Very low | 166 Ų | 166 | 133 Ų | 133 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | 40.3 | 77.9 | 133.8 | -59.6 | -12.1 | 0 | 0 | 0 | 118.3 | ||||
| 889 | G | 24.5 | Very low | 23.9 | Very low | 71 Ų | 71 | 134.1 Ų | 134.1 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | -135 | 87.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I887 D891 | I887-G889 PolarHBondContact O-N 2.98Å; G889-D891 VanDerWaalsContact C-N 3.3Å; G889-D891 PolarHBondContact O-N 3.04Å | ||
| 890 | S | 24.2 | Very low | 23.9 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -79.1 | 73.4 | 179 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 891 | D | 25.7 | Very low | 23.9 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -153.2 | 156.8 | 155.6 | -134.4 | -29.5 | 0 | 0 | 0 | 114.3 | G889 | G889-D891 VanDerWaalsContact C-N 3.3Å; G889-D891 PolarHBondContact O-N 3.04Å | ||
| 892 | N | 24.2 | Very low | 23.8 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -77.1 | 154.6 | -179.4 | -71.8 | -88.1 | 0 | 0 | 0 | 111.7 | ||||
| 893 | N | 25.5 | Very low | 23.8 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | 86.8 | 87.6 | 169.8 | -46 | -70.9 | 0 | 0 | 0 | 118 | ||||
| 894 | K | 22.1 | Very low | 23.7 | Very low | 208 Ų | 208 | 135.9 Ų | 135.9 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | -171.5 | 86.7 | 117.3 | -96 | 146.4 | -167.8 | 168.9 | 0 | 112.1 | S896 | K894-S896 PolarHBondContact O-N 2.99Å; K894-S896 VanDerWaalsContact O-N 3.16Å | |||
| 895 | T | 22 | Very low | 23.6 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -75.6 | 96.1 | 167.2 | 36.2 | 0 | 0 | 0 | 0 | 110.6 | V897 | T895-V897 PolarHBondContact O-N 2.73Š| ||
| 896 | S | 22.4 | Very low | 23.6 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -73 | 77.9 | 169.4 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | K894 | K894-S896 PolarHBondContact O-N 2.99Å; K894-S896 VanDerWaalsContact O-N 3.16Å | ||
| 897 | V | 21.5 | Very low | 23.5 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 61% | 0.606 | 76% | 0.76 | S | S | * | * | trans | -56.2 | 136.5 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 110 | T895 K899 Y900 | T895-V897 PolarHBondContact O-N 2.73Å; V897-K899 PolarHBondContact O-N 2.05Å; V897-Y900 HydrophobicContact CG1-CE2 4.26Å | ||
| 898 | P | 24.8 | Very low | 23.3 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 53% | 0.526 | 77% | 0.77 | S | S | . | * | trans | -53.3 | 135.4 | 174.7 | -26.4 | 34.2 | 0 | 0 | 0 | 111.7 | Y900 | P898-Y900 HydrophobicContact CB-CD2 4.34Å; P898-Y900 HydrophobicContact CB-CE1 4.45Å; P898-Y900 HydrophobicContact CB-CE2 3.87Å; P898-Y900 HydrophobicContact CG-CE2 4.26Å; P898-Y900 WeakPolarHBondContact O-CD2 3.23Å; P898-Y900 WeakPolarHBondContact O-CE2 3.36Å; P898-Y900 PolarHBondContact O-N 2.89Å | ||
| 899 | K | 23.4 | Very low | 23.1 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | trans | -76.5 | 76.9 | 174.2 | -77.6 | -179.6 | 179.5 | 169.2 | 0 | 110.3 | V897 | V897-K899 PolarHBondContact O-N 2.05Š| ||
| 900 | Y | 24 | Very low | 23 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 65% | 0.651 | 76% | 0.763 | S | S | * | * | trans | -56.8 | 161.6 | 168.2 | -59.1 | -80.1 | 0 | 0 | 0 | 111.6 | V897 P898 S902 | V897-Y900 HydrophobicContact CG1-CE2 4.26Å; P898-Y900 HydrophobicContact CB-CD2 4.34Å; P898-Y900 HydrophobicContact CB-CE1 4.45Å; P898-Y900 HydrophobicContact CB-CE2 3.87Å; P898-Y900 HydrophobicContact CG-CE2 4.26Å; P898-Y900 WeakPolarHBondContact O-CD2 3.23Å; P898-Y900 WeakPolarHBondContact O-CE2 3.36Å; P898-Y900 PolarHBondContact O-N 2.89Å; Y900-S902 PolarHBondContact O-N 3.18Å | ||
| 901 | C | 23.5 | Very low | 22.8 | Very low | 65 Ų | 65 | 141.9 Ų | 141.9 | 44% | 0.439 | 76% | 0.76 | S | S | . | * | S | Bend | trans | -70.3 | 40.3 | 171.3 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | C950 | C901-C950 HydrophobicContact CB-CB 4.34Å; C901-C950 WeakPolarHBondContact CB-SG 3.2Å; C901-C950 WeakPolarHBondContact SG-CB 3.31Å; C901-C950 CovalentContact SG-SG 2.05Å; C901-C950 PolarHBondContact SG-SG 2.67Å |
| 902 | S | 22.9 | Very low | 22.7 | Very low | 86 Ų | 86 | 145.6 Ų | 145.6 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | trans | -153.8 | 129.5 | 165.3 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | Y900 L904 | Y900-S902 PolarHBondContact O-N 3.18Å; S902-L904 PolarHBondContact O-N 3.26Å | ||
| 903 | K | 23.4 | Very low | 22.6 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -84.1 | 94.2 | 164.5 | -116.5 | -168.7 | 178.6 | -174.4 | 0 | 107.8 | ||||
| 904 | L | 22.2 | Very low | 22.6 | Very low | 150 Ų | 150 | 148 Ų | 148 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -148.9 | 71.4 | 168.7 | -112 | 168.2 | 0 | 0 | 0 | 111.9 | S902 G906 | S902-L904 PolarHBondContact O-N 3.26Å; L904-G906 PolarHBondContact O-N 2.69Å | ||
| 905 | P | 23.2 | Very low | 22.7 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -68.6 | 128.1 | 171.1 | 30.2 | -33 | 0 | 0 | 0 | 109.7 | ||||
| 906 | G | 22 | Very low | 22.9 | Very low | 72 Ų | 72 | 141.5 Ų | 141.5 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | 111.3 | 52.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | L904 | L904-G906 PolarHBondContact O-N 2.69Š| ||
| 907 | K | 22.2 | Very low | 23 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -156.4 | 116.8 | 142.5 | -111.7 | 159.7 | -171.3 | 177.1 | 0 | 111.1 | V909 | K907-V909 HydrophobicContact CB-CG2 4.3Å; K907-V909 PolarHBondContact O-N 2.76Å; K907-V909 VanDerWaalsContact O-N 3.17Å | ||
| 908 | R | 20.8 | Very low | 23.2 | Very low | 260 Ų | 260 | 138.3 Ų | 138.3 | 98% | 0.981 | 70% | 0.703 | S | S | * | * | trans | -73.2 | 101.5 | 170.8 | -67.4 | -178.7 | -176.3 | 173.6 | 0.5 | 108.2 | ||||
| 909 | V | 21.4 | Very low | 23.3 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 59% | 0.594 | 69% | 0.688 | S | S | * | * | trans | -124.3 | 108.8 | 168.7 | -163.2 | 0 | 0 | 0 | 0 | 107.6 | K907 F911 | K907-V909 HydrophobicContact CB-CG2 4.3Å; K907-V909 PolarHBondContact O-N 2.76Å; K907-V909 VanDerWaalsContact O-N 3.17Å; V909-F911 HydrophobicContact CB-CD2 4.31Å; V909-F911 HydrophobicContact CG1-CD2 3.7Å; V909-F911 HydrophobicContact CG1-CE2 3.62Å; V909-F911 PolarHBondContact O-N 3.31Å | ||
| 910 | G | 21.1 | Very low | 23.6 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 88% | 0.876 | 66% | 0.664 | S | S | * | * | trans | -73.2 | 95.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 911 | F | 21.4 | Very low | 23.8 | Very low | 184 Ų | 184 | 122.7 Ų | 122.7 | 81% | 0.807 | 64% | 0.644 | S | S | * | * | trans | -101.9 | 140.2 | 176.8 | -98.7 | -82.6 | 0 | 0 | 0 | 112.9 | V909 | V909-F911 HydrophobicContact CB-CD2 4.31Å; V909-F911 HydrophobicContact CG1-CD2 3.7Å; V909-F911 HydrophobicContact CG1-CE2 3.62Å; V909-F911 PolarHBondContact O-N 3.31Å | ||
| 912 | R | 22.3 | Very low | 24.1 | Very low | 226 Ų | 226 | 124 Ų | 124 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | trans | -73.5 | 137.4 | -173.5 | -65.7 | 173.3 | 172.9 | 169.3 | -5.2 | 110.8 | S914 | R912-S914 PolarHBondContact O-N 3.44Š| ||
| 913 | R | 23.1 | Very low | 24.6 | Very low | 262 Ų | 262 | 123.4 Ų | 123.4 | 99% | 0.989 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -68.1 | 18.1 | -172.2 | -71.7 | 178.8 | 165.4 | 173.7 | -6.5 | 116 | ||
| 914 | S | 24.1 | Very low | 25 | Very low | 70 Ų | 70 | 118 Ų | 118 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -107.9 | 18.5 | -157.3 | 57.2 | 0 | 0 | 0 | 0 | 117.1 | R912 R918 | R912-S914 PolarHBondContact O-N 3.44Å; S914-R918 PolarHBondContact O-NH1 2.81Å |
| 915 | Q | 25.5 | Very low | 25.4 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -130.5 | -48.8 | 178.7 | -62 | -68.8 | 30.4 | 0 | 0 | 115.7 | G917 R918 | Q915-G917 PolarHBondContact O-N 2.68Å; Q915-R918 WeakPolarHBondContact O-CB 3.43Å; Q915-R918 PolarHBondContact O-N 3.22Å |
| 916 | L | 25.3 | Very low | 25.9 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 48% | 0.482 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -56.1 | -46.6 | -168.4 | -88.3 | 58.6 | 0 | 0 | 0 | 113.9 | R918 L919 D948 | L916-R918 PolarHBondContact O-N 2.81Å; L916-L919 PolarHBondContact O-N 2.91Å; L916-D948 VanDerWaalsContact CD2-OD1 3.29Å; L916-D948 WeakPolarHBondContact CD2-OD1 3.47Å |
| 917 | G | 25.9 | Very low | 26.2 | Very low | 51 Ų | 51 | 111 Ų | 111 | 53% | 0.526 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -17.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q915 L919 | Q915-G917 PolarHBondContact O-N 2.68Å; G917-L919 VanDerWaalsContact C-N 3.29Å; G917-L919 PolarHBondContact O-N 2.81Å |
| 918 | R | 25.8 | Very low | 26.6 | Very low | 101 Ų | 101 | 107.4 Ų | 107.4 | 38% | 0.381 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -31.6 | 179.4 | -71.5 | 175.6 | 148.5 | 158.1 | -7.3 | 112.3 | S914 Q915 L916 L922 | S914-R918 PolarHBondContact O-NH1 2.81Å; Q915-R918 WeakPolarHBondContact O-CB 3.43Å; Q915-R918 PolarHBondContact O-N 3.22Å; L916-R918 PolarHBondContact O-N 2.81Å; R918-L922 WeakPolarHBondContact O-CB 3.32Å; R918-L922 PolarHBondContact O-N 3.04Å; R918-L922 VanDerWaalsContact O-N 3.1Å |
| 919 | L | 26.8 | Very low | 27.1 | Very low | 41 Ų | 41 | 99.4 Ų | 99.4 | 22% | 0.215 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -91 | -30.5 | -159.1 | -74.7 | 155.5 | 0 | 0 | 0 | 114.3 | L916 G917 L922 F923 D945 | L916-L919 PolarHBondContact O-N 2.91Å; G917-L919 VanDerWaalsContact C-N 3.29Å; G917-L919 PolarHBondContact O-N 2.81Å; L919-L922 HydrophobicContact CD2-CD2 4.32Å; L919-L922 PolarHBondContact O-N 3.11Å; L919-F923 WeakPolarHBondContact O-CB 3.34Å; L919-F923 PolarHBondContact O-N 2.88Å; L919-D945 HydrophobicContact CD1-CB 4.09Å; L919-D945 HydrophobicContact CD2-CB 3.76Å |
| 920 | S | 28.4 | Very low | 27.5 | Very low | 60 Ų | 60 | 96.1 Ų | 96.1 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -36.1 | 172 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | F923 F924 | S920-F923 PolarHBondContact O-N 2.04Å; S920-F924 PolarHBondContact O-N 3.39Å; S920-F924 VanDerWaalsContact O-N 3.17Å |
| 921 | A | 29.7 | Very low | 27.8 | Very low | 30 Ų | 30 | 100.2 Ų | 100.2 | 25% | 0.248 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -70 | -41.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F923 F924 N925 P1870 | A921-F923 VanDerWaalsContact C-N 3.29Å; A921-F923 PolarHBondContact O-N 3.26Å; A921-F924 PolarHBondContact O-N 2.8Å; A921-N925 WeakPolarHBondContact O-CB 3.34Å; A921-N925 PolarHBondContact O-N 2.98Å; A921-P1870 HydrophobicContact CB-CB 3.98Å; A921-P1870 HydrophobicContact CB-CG 4.22Å |
| 922 | L | 29.8 | Very low | 28.2 | Very low | 94 Ų | 94 | 97.4 Ų | 97.4 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 173.2 | -154.7 | 83.4 | 0 | 0 | 0 | 111.5 | R918 L919 I926 | R918-L922 WeakPolarHBondContact O-CB 3.32Å; R918-L922 PolarHBondContact O-N 3.04Å; R918-L922 VanDerWaalsContact O-N 3.1Å; L919-L922 HydrophobicContact CD2-CD2 4.32Å; L919-L922 PolarHBondContact O-N 3.11Å; L922-I926 HydrophobicContact CD2-CD1 3.9Å; L922-I926 HydrophobicContact CG-CD1 3.71Å; L922-I926 HydrophobicContact CG-CG1 4.31Å; L922-I926 WeakPolarHBondContact O-CB 3.3Å; L922-I926 WeakPolarHBondContact O-CG1 3.01Å; L922-I926 PolarHBondContact O-N 2.88Å |
| 923 | F | 32.6 | Very low | 28.5 | Very low | 72 Ų | 72 | 90 Ų | 90 | 32% | 0.316 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 177.5 | -172.2 | -81.2 | 0 | 0 | 0 | 112 | L919 S920 A921 M927 W939 I949 | L919-F923 WeakPolarHBondContact O-CB 3.34Å; L919-F923 PolarHBondContact O-N 2.88Å; S920-F923 PolarHBondContact O-N 2.04Å; A921-F923 VanDerWaalsContact C-N 3.29Å; A921-F923 PolarHBondContact O-N 3.26Å; F923-M927 HydrophobicContact CD1-CG 4.28Å; F923-M927 HydrophobicContact CE1-CG 4.19Å; F923-M927 WeakPolarHBondContact O-CB 3.33Å; F923-M927 WeakPolarHBondContact O-CG 3.3Å; F923-M927 PolarHBondContact O-N 3.13Å; F923-W939 HydrophobicContact CD2-CZ2 4.23Å; F923-W939 AromaticContact CE2-CH2 3.81Å; F923-W939 HydrophobicContact CE2-CH2 3.81Å; F923-W939 AromaticContact CE2-CZ2 3.31Å; F923-W939 HydrophobicContact CE2-CZ2 3.31Å; F923-W939 HydrophobicContact CZ-CH2 4.15Å; F923-W939 AromaticContact CZ-CZ2 3.64Å; F923-W939 HydrophobicContact CZ-CZ2 3.64Å; F923-I949 HydrophobicContact CE2-CD1 4.38Å |
| 924 | F | 31 | Very low | 28.6 | Very low | 99 Ų | 99 | 85 Ų | 85 | 43% | 0.434 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 179.5 | -98.9 | -81.8 | 0 | 0 | 0 | 113 | V875 S920 A921 M927 Q928 | V875-F924 HydrophobicContact CG1-CE1 3.91Å; V875-F924 HydrophobicContact CG1-CZ 3.66Å; S920-F924 PolarHBondContact O-N 3.39Å; S920-F924 VanDerWaalsContact O-N 3.17Å; A921-F924 PolarHBondContact O-N 2.8Å; F924-M927 CarbonylContact O-C 3.51Å; F924-M927 PolarHBondContact O-N 3.29Å; F924-Q928 WeakPolarHBondContact O-CB 3.48Å; F924-Q928 PolarHBondContact O-N 2.04Å |
| 925 | N | 31.5 | Very low | 28.7 | Very low | 97 Ų | 97 | 85 Ų | 85 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.5 | -40.1 | 179.3 | -70.3 | 16.4 | 0 | 0 | 0 | 111.8 | A921 M927 Q928 D929 | A921-N925 WeakPolarHBondContact O-CB 3.34Å; A921-N925 PolarHBondContact O-N 2.98Å; N925-M927 VanDerWaalsContact C-N 3.28Å; N925-M927 PolarHBondContact O-N 3.11Å; N925-Q928 PolarHBondContact O-N 2.93Å; N925-D929 PolarHBondContact O-N 3.21Å |
| 926 | I | 33.1 | Very low | 28.8 | Very low | 55 Ų | 55 | 83.3 Ų | 83.3 | 28% | 0.282 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 172 | -72.8 | 175.8 | 0 | 0 | 0 | 110.5 | L922 Q930 | L922-I926 HydrophobicContact CD2-CD1 3.9Å; L922-I926 HydrophobicContact CG-CD1 3.71Å; L922-I926 HydrophobicContact CG-CG1 4.31Å; L922-I926 WeakPolarHBondContact O-CB 3.3Å; L922-I926 WeakPolarHBondContact O-CG1 3.01Å; L922-I926 PolarHBondContact O-N 2.88Å; I926-Q930 VanDerWaalsContact CG2-CD 3.48Å; I926-Q930 HydrophobicContact CG2-CG 4.31Å; I926-Q930 WeakPolarHBondContact O-CB 3.46Å; I926-Q930 WeakPolarHBondContact O-CG 3.23Å; I926-Q930 PolarHBondContact O-N 3.1Å |
| 927 | M | 28.2 | Very low | 29 | Very low | 48 Ų | 48 | 80.7 Ų | 80.7 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 175.3 | -72.1 | -74.5 | -78.9 | 0 | 0 | 112 | F923 F924 N925 Q930 W931 | F923-M927 HydrophobicContact CD1-CG 4.28Å; F923-M927 HydrophobicContact CE1-CG 4.19Å; F923-M927 WeakPolarHBondContact O-CB 3.33Å; F923-M927 WeakPolarHBondContact O-CG 3.3Å; F923-M927 PolarHBondContact O-N 3.13Å; F924-M927 CarbonylContact O-C 3.51Å; F924-M927 PolarHBondContact O-N 3.29Å; N925-M927 VanDerWaalsContact C-N 3.28Å; N925-M927 PolarHBondContact O-N 3.11Å; M927-Q930 CarbonylContact O-C 3.56Å; M927-Q930 PolarHBondContact O-N 3.46Å; M927-W931 HydrophobicContact CE-CZ2 3.86Å; M927-W931 VanDerWaalsContact CE-NE1 3.29Å; M927-W931 VanDerWaalsContact O-CB 3.22Å; M927-W931 WeakPolarHBondContact O-CB 3.43Å; M927-W931 VanDerWaalsContact O-CG 3.26Å; M927-W931 PolarHBondContact O-N 3.02Å |
| 928 | Q | 31.5 | Very low | 29 | Very low | 120 Ų | 120 | 84.2 Ų | 84.2 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.5 | -43.6 | -179.4 | -170.9 | 163.3 | -15.8 | 0 | 0 | 111.9 | F924 N925 W931 L932 | F924-Q928 WeakPolarHBondContact O-CB 3.48Å; F924-Q928 PolarHBondContact O-N 2.04Å; N925-Q928 PolarHBondContact O-N 2.93Å; Q928-W931 PolarHBondContact O-N 2.95Å; Q928-L932 HydrophobicContact CG-CD1 3.93Å; Q928-L932 WeakPolarHBondContact O-CB 3.48Å; Q928-L932 PolarHBondContact O-N 3.23Å |
| 929 | D | 30.5 | Very low | 29.2 | Very low | 91 Ų | 91 | 82 Ų | 82 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 168.9 | -84.8 | -39.6 | 0 | 0 | 0 | 111.4 | N925 W931 L932 T933 Y934 | N925-D929 PolarHBondContact O-N 3.21Å; D929-W931 PolarHBondContact O-N 2.88Å; D929-L932 PolarHBondContact O-N 3.02Å; D929-T933 CarbonylContact O-C 3.57Å; D929-T933 WeakPolarHBondContact O-CA 3.01Å; D929-T933 PolarHBondContact O-N 2.83Å; D929-T933 PolarHBondContact O-OG1 2.94Å; D929-T933 PolarHBondContact OD1-OG1 3.35Å; D929-Y934 PolarHBondContact O-N 2.86Å |
| 930 | Q | 30.6 | Very low | 29.3 | Very low | 29 Ų | 29 | 84.3 Ų | 84.3 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -75.3 | -7.5 | -179.8 | -66.6 | 173.8 | -3.2 | 0 | 0 | 114.5 | I926 M927 Y934 P937 | I926-Q930 VanDerWaalsContact CG2-CD 3.48Å; I926-Q930 HydrophobicContact CG2-CG 4.31Å; I926-Q930 WeakPolarHBondContact O-CB 3.46Å; I926-Q930 WeakPolarHBondContact O-CG 3.23Å; I926-Q930 PolarHBondContact O-N 3.1Å; M927-Q930 CarbonylContact O-C 3.56Å; M927-Q930 PolarHBondContact O-N 3.46Å; Q930-Y934 CarbonylContact C-O 3.57Å; Q930-Y934 WeakPolarHBondContact CA-O 3.39Å; Q930-Y934 WeakPolarHBondContact CB-O 3.43Å; Q930-Y934 CarbonylContact O-C 3.4Å; Q930-P937 VanDerWaalsContact OE1-CA 3.23Å |
| 931 | W | 27.9 | Very low | 29.5 | Very low | 171 Ų | 171 | 83.9 Ų | 83.9 | 65% | 0.648 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -99.5 | -32.2 | 172 | -76.2 | 41 | 0 | 0 | 0 | 112.2 | M927 Q928 D929 | M927-W931 HydrophobicContact CE-CZ2 3.86Å; M927-W931 VanDerWaalsContact CE-NE1 3.29Å; M927-W931 VanDerWaalsContact O-CB 3.22Å; M927-W931 WeakPolarHBondContact O-CB 3.43Å; M927-W931 VanDerWaalsContact O-CG 3.26Å; M927-W931 PolarHBondContact O-N 3.02Å; Q928-W931 PolarHBondContact O-N 2.95Å; D929-W931 PolarHBondContact O-N 2.88Å |
| 932 | L | 28 | Very low | 29.6 | Very low | 125 Ų | 125 | 89.1 Ų | 89.1 | 65% | 0.654 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -104.3 | -31 | -176.4 | -61.3 | 176.5 | 0 | 0 | 0 | 114.7 | Q928 D929 | Q928-L932 HydrophobicContact CG-CD1 3.93Å; Q928-L932 WeakPolarHBondContact O-CB 3.48Å; Q928-L932 PolarHBondContact O-N 3.23Å; D929-L932 PolarHBondContact O-N 3.02Å |
| 933 | T | 29.2 | Very low | 29.7 | Very low | 70 Ų | 70 | 88.7 Ų | 88.7 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -25.9 | -176.7 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | D929 | D929-T933 CarbonylContact O-C 3.57Å; D929-T933 WeakPolarHBondContact O-CA 3.01Å; D929-T933 PolarHBondContact O-N 2.83Å; D929-T933 PolarHBondContact O-OG1 2.94Å; D929-T933 PolarHBondContact OD1-OG1 3.35Å |
| 934 | Y | 24.7 | Very low | 29.9 | Very low | 159 Ų | 159 | 88.7 Ų | 88.7 | 62% | 0.624 | 42% | 0.421 | S | S | * | . | trans | -133.6 | 81.7 | -176.2 | -75.3 | -81 | 0 | 0 | 0 | 114 | D929 Q930 R936 | D929-Y934 PolarHBondContact O-N 2.86Å; Q930-Y934 CarbonylContact C-O 3.57Å; Q930-Y934 WeakPolarHBondContact CA-O 3.39Å; Q930-Y934 WeakPolarHBondContact CB-O 3.43Å; Q930-Y934 CarbonylContact O-C 3.4Å; Y934-R936 PolarHBondContact O-N 2.86Å | ||
| 935 | K | 26.6 | Very low | 29.9 | Very low | 68 Ų | 68 | 85.6 Ų | 85.6 | 30% | 0.296 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -61.9 | 24.4 | 174.3 | -86 | -165.6 | -175.5 | 168.3 | 0 | 116.4 | P1194 I1195 H1196 | K935-P1194 HydrophobicContact CD-CB 4.15Å; K935-P1194 WeakPolarHBondContact CE-O 3.5Å; K935-P1194 HydrophobicContact CG-CB 4.48Å; K935-P1194 PolarHBondContact NZ-O 3.4Å; K935-I1195 HydrophobicContact CB-CB 4.17Å; K935-I1195 HydrophobicContact CB-CD1 4.35Å; K935-I1195 HydrophobicContact CB-CG1 4.25Å; K935-I1195 HydrophobicContact CD-CB 4.31Å; K935-I1195 WeakPolarHBondContact CD-O 3.23Å; K935-I1195 WeakPolarHBondContact CE-O 3.4Å; K935-I1195 PolarHBondContact NZ-O 3.39Å; K935-H1196 PolarHBondContact NZ-CD2 2.99Å; K935-H1196 PolarHBondContact NZ-CE1 3.34Å; K935-H1196 PolarHBondContact NZ-NE2 2.99Å |
| 936 | R | 28.3 | Very low | 29.8 | Very low | 77 Ų | 77 | 82 Ų | 82 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -123.3 | 96.1 | 162.5 | -79.3 | -175 | 171.3 | -179.4 | -2.7 | 110.1 | Y934 R938 | Y934-R936 PolarHBondContact O-N 2.86Å; R936-R938 PolarHBondContact O-N 3.26Å; R936-R938 VanDerWaalsContact O-N 3.1Å |
| 937 | P | 28.7 | Very low | 29.5 | Very low | 37 Ų | 37 | 82.2 Ų | 82.2 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | trans | -61.9 | 112.9 | 174.2 | -24.8 | 35.9 | 0 | 0 | 0 | 112.1 | Q930 V1082 S1084 | Q930-P937 VanDerWaalsContact OE1-CA 3.23Å; P937-V1082 HydrophobicContact CB-CG1 4.12Å; P937-V1082 HydrophobicContact CG-CG1 4.07Å; P937-S1084 PolarHBondContact O-OG 3.14Å | ||
| 938 | R | 27.2 | Very low | 29.6 | Very low | 125 Ų | 125 | 82.7 Ų | 82.7 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | trans | -111.3 | 90.5 | 172.9 | -79.4 | -175 | 172.7 | 178 | 3.6 | 109 | R936 | R936-R938 PolarHBondContact O-N 3.26Å; R936-R938 VanDerWaalsContact O-N 3.1Å | ||
| 939 | W | 28.6 | Very low | 29.4 | Very low | 53 Ų | 53 | 80.4 Ų | 80.4 | 20% | 0.201 | 39% | 0.392 | C | S | . | . | trans | -81 | 126.9 | 164.7 | -80.7 | 2.3 | 0 | 0 | 0 | 110.3 | F923 S1084 | F923-W939 HydrophobicContact CD2-CZ2 4.23Å; F923-W939 AromaticContact CE2-CH2 3.81Å; F923-W939 HydrophobicContact CE2-CH2 3.81Å; F923-W939 AromaticContact CE2-CZ2 3.31Å; F923-W939 HydrophobicContact CE2-CZ2 3.31Å; F923-W939 HydrophobicContact CZ-CH2 4.15Å; F923-W939 AromaticContact CZ-CZ2 3.64Å; F923-W939 HydrophobicContact CZ-CZ2 3.64Å; W939-S1084 PolarHBondContact N-OG 3.48Å; W939-S1084 PolarHBondContact O-OG 3.43Å | ||
| 940 | T | 29.7 | Very low | 29.3 | Very low | 90 Ų | 90 | 79.2 Ų | 79.2 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | trans | -128.8 | 86.3 | 164.2 | 52.4 | 0 | 0 | 0 | 0 | 108.9 | I1087 | T940-I1087 HydrophobicContact CG2-CD1 4.01Š| ||
| 941 | T | 32.5 | Very low | 29.1 | Very low | 51 Ų | 51 | 81.6 Ų | 81.6 | 31% | 0.313 | 40% | 0.4 | S | S | . | . | trans | -92.8 | 130.8 | -179.2 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 942 | R | 32.7 | Very low | 29.1 | Very low | 141 Ų | 141 | 78.5 Ų | 78.5 | 53% | 0.532 | 40% | 0.397 | S | S | . | . | trans | -83.3 | 162.7 | 165.5 | -64.5 | 164.5 | -72.6 | -148.4 | -6.5 | 110.3 | S944 D945 | R942-S944 WeakPolarHBondContact CB-OG 3.42Å; R942-S944 PolarHBondContact O-N 3.27Å; R942-D945 WeakPolarHBondContact CB-OD2 3.5Å; R942-D945 IonicContact CZ-OD2 3.14Å; R942-D945 PolarHBondContact N-OD2 3.12Å; R942-D945 IonicContact NE-OD1 3.77Å; R942-D945 IonicContact NE-OD2 3.48Å; R942-D945 PolarHBondContact NE-OD2 3.26Å; R942-D945 IonicContact NH2-OD1 2.85Å; R942-D945 IonicContact NH2-OD2 3.02Å; R942-D945 PolarHBondContact NH2-OD2 3.17Å; R942-D945 WeakPolarHBondContact O-CB 3.27Å; R942-D945 PolarHBondContact O-N 2.88Å | ||
| 943 | I | 31.3 | Very low | 29.2 | Very low | 84 Ų | 84 | 76.5 Ų | 76.5 | 43% | 0.431 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -57.6 | -35.6 | 173.9 | -72.1 | 169.9 | 0 | 0 | 0 | 111.4 | D945 S946 Y1086 Y1106 | I943-D945 PolarHBondContact O-N 2.69Å; I943-D945 VanDerWaalsContact O-N 3.11Å; I943-S946 PolarHBondContact O-OG 3.46Å; I943-Y1086 VanDerWaalsContact CD1-OH 3.28Å; I943-Y1086 WeakPolarHBondContact CD1-OH 3.37Å; I943-Y1086 HydrophobicContact CG1-CE2 4.49Å; I943-Y1086 WeakPolarHBondContact CG1-OH 3.43Å; I943-Y1106 HydrophobicContact CD1-CD1 3.64Å; I943-Y1106 HydrophobicContact CD1-CE1 4.09Å |
| 944 | S | 36 | Very low | 29.3 | Very low | 73 Ų | 73 | 77.3 Ų | 77.3 | 51% | 0.51 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -57.3 | -21.8 | 174.6 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | R942 | R942-S944 WeakPolarHBondContact CB-OG 3.42Å; R942-S944 PolarHBondContact O-N 3.27Å |
| 945 | D | 32.2 | Very low | 30.1 | Very low | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -97.7 | 3.2 | -161.4 | -57.1 | -12.2 | 0 | 0 | 0 | 112.5 | L919 R942 I943 | L919-D945 HydrophobicContact CD1-CB 4.09Å; L919-D945 HydrophobicContact CD2-CB 3.76Å; R942-D945 WeakPolarHBondContact CB-OD2 3.5Å; R942-D945 IonicContact CZ-OD2 3.14Å; R942-D945 PolarHBondContact N-OD2 3.12Å; R942-D945 IonicContact NE-OD1 3.77Å; R942-D945 IonicContact NE-OD2 3.48Å; R942-D945 PolarHBondContact NE-OD2 3.26Å; R942-D945 IonicContact NH2-OD1 2.85Å; R942-D945 IonicContact NH2-OD2 3.02Å; R942-D945 PolarHBondContact NH2-OD2 3.17Å; R942-D945 WeakPolarHBondContact O-CB 3.27Å; R942-D945 PolarHBondContact O-N 2.88Å; I943-D945 PolarHBondContact O-N 2.69Å; I943-D945 VanDerWaalsContact O-N 3.11Å |
| 946 | S | 29.7 | Very low | 30.5 | Very low | 22 Ų | 22 | 70.7 Ų | 70.7 | 15% | 0.154 | 36% | 0.363 | C | S | . | . | trans | -111.9 | -1.3 | -159.6 | 67.5 | 0 | 0 | 0 | 0 | 116.5 | I943 D948 L1112 | I943-S946 PolarHBondContact O-OG 3.46Å; S946-D948 PolarHBondContact O-N 3.06Å; S946-L1112 VanDerWaalsContact CB-O 3.23Å; S946-L1112 WeakPolarHBondContact CB-O 3.29Å; S946-L1112 PolarHBondContact OG-O 3.15Å | ||
| 947 | S | 26.3 | Very low | 30.8 | Very low | 59 Ų | 59 | 73 Ų | 73 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10 | -161.5 | 43 | 0 | 0 | 0 | 0 | 118.4 | ||
| 948 | D | 29.3 | Very low | 31.3 | Very low | 57 Ų | 57 | 76.4 Ų | 76.4 | 31% | 0.305 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 3.7 | -156.9 | -114.4 | 43.6 | 0 | 0 | 0 | 117 | R878 L916 S946 C950 | R878-D948 IonicContact NH2-OD2 3.57Å; R878-D948 PolarHBondContact NH2-OD2 2.86Å; L916-D948 VanDerWaalsContact CD2-OD1 3.29Å; L916-D948 WeakPolarHBondContact CD2-OD1 3.47Å; S946-D948 PolarHBondContact O-N 3.06Å; D948-C950 PolarHBondContact O-N 3.07Å |
| 949 | I | 28.6 | Very low | 31.6 | Very low | 72 Ų | 72 | 72.7 Ų | 72.7 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | trans | -90.4 | 90.7 | -179.1 | -53.7 | 179 | 0 | 0 | 0 | 111.3 | F923 F951 F1113 | F923-I949 HydrophobicContact CE2-CD1 4.38Å; I949-F951 HydrophobicContact CB-CE2 4.39Å; I949-F951 HydrophobicContact CG2-CD2 4.16Å; I949-F951 HydrophobicContact CG2-CE2 3.59Å; I949-F951 HydrophobicContact CG2-CZ 3.89Å; I949-F951 PolarHBondContact O-N 3.18Å; I949-F1113 HydrophobicContact CD1-CD1 4.32Å; I949-F1113 HydrophobicContact CD1-CE1 4.11Å | ||
| 950 | C | 27.1 | Very low | 31.7 | Very low | 67 Ų | 67 | 75 Ų | 75 | 45% | 0.453 | 41% | 0.405 | S | S | . | . | trans | -86.5 | 102.6 | 179.9 | -55.9 | 0 | 0 | 0 | 0 | 113.6 | C901 D948 N952 | C901-C950 HydrophobicContact CB-CB 4.34Å; C901-C950 WeakPolarHBondContact CB-SG 3.2Å; C901-C950 WeakPolarHBondContact SG-CB 3.31Å; C901-C950 CovalentContact SG-SG 2.05Å; C901-C950 PolarHBondContact SG-SG 2.67Å; D948-C950 PolarHBondContact O-N 3.07Å; C950-N952 PolarHBondContact O-N 3.12Å | ||
| 951 | F | 27 | Very low | 31.7 | Very low | 78 Ų | 78 | 75.4 Ų | 75.4 | 34% | 0.342 | 41% | 0.407 | S | S | . | . | trans | -77.7 | 102.4 | 167.8 | -59.7 | -95.7 | 0 | 0 | 0 | 110.9 | I949 F1113 V1115 F1123 T1127 | I949-F951 HydrophobicContact CB-CE2 4.39Å; I949-F951 HydrophobicContact CG2-CD2 4.16Å; I949-F951 HydrophobicContact CG2-CE2 3.59Å; I949-F951 HydrophobicContact CG2-CZ 3.89Å; I949-F951 PolarHBondContact O-N 3.18Å; F951-F1113 HydrophobicContact CE2-CB 4.25Å; F951-F1113 AromaticContact CE2-CD1 3.99Å; F951-F1113 HydrophobicContact CE2-CD1 3.99Å; F951-F1113 HydrophobicContact CE2-CG 4.42Å; F951-F1113 HydrophobicContact CZ-CD1 4.42Å; F951-V1115 HydrophobicContact CD2-CG2 3.86Å; F951-V1115 HydrophobicContact CE2-CG2 4.37Å; F951-F1123 HydrophobicContact CD2-CE2 4.35Å; F951-F1123 AromaticContact CE2-CE2 3.87Å; F951-F1123 HydrophobicContact CE2-CE2 3.87Å; F951-F1123 HydrophobicContact CE2-CZ 4.48Å; F951-F1123 HydrophobicContact CZ-CE2 4.11Å; F951-F1123 HydrophobicContact CZ-CZ 4.49Å; F951-T1127 HydrophobicContact CD1-CG2 4.42Å; F951-T1127 HydrophobicContact CE1-CG2 3.89Å; F951-T1127 HydrophobicContact CZ-CG2 4.2Å | ||
| 952 | N | 27.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 79.2 Ų | 79.2 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | trans | -138.5 | 133.1 | 175.6 | -73.7 | -64.6 | 0 | 0 | 0 | 112.1 | C950 | C950-N952 PolarHBondContact O-N 3.12Š| ||
| 953 | E | 29.3 | Very low | 31.2 | Very low | 84 Ų | 84 | 79.4 Ų | 79.4 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | trans | -75.1 | 137.5 | 159.7 | -62.6 | -169.4 | 139.8 | 0 | 0 | 109.5 | R1024 R1026 | E953-R1024 WeakPolarHBondContact OE2-CD 3.48Å; E953-R1024 IonicContact OE2-CZ 2.88Å; E953-R1024 IonicContact OE2-NE 3.92Å; E953-R1024 IonicContact OE2-NH1 2.69Å; E953-R1024 PolarHBondContact OE2-NH1 3.45Å; E953-R1026 IonicContact OE1-CZ 2.94Å; E953-R1026 IonicContact OE1-NE 3.22Å; E953-R1026 PolarHBondContact OE1-NE 3.43Å; E953-R1026 IonicContact OE1-NH2 3.7Å; E953-R1026 PolarHBondContact OE1-NH2 2.87Å | ||
| 954 | L | 32.9 | Very low | 31 | Very low | 87 Ų | 87 | 81.2 Ų | 81.2 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.6 | 174.4 | -110.5 | 162 | 0 | 0 | 0 | 110.2 | N958 R1024 V1025 | L954-N958 HydrophobicContact CD2-CB 3.82Å; L954-R1024 WeakPolarHBondContact O-CA 3.46Å; L954-V1025 PolarHBondContact O-N 3.17Å |
| 955 | N | 40.4 | Very low | 30.9 | Very low | 25 Ų | 25 | 82.9 Ų | 82.9 | 13% | 0.134 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 141.3 | 171.5 | -121.8 | 40.6 | 0 | 0 | 0 | 109.4 | E957 N958 S1022 R1024 | N955-E957 PolarHBondContact ND2-OE2 3.32Å; N955-E957 PolarHBondContact O-N 3.42Å; N955-N958 WeakPolarHBondContact CB-ND2 3.45Å; N955-N958 PolarHBondContact O-N 3.31Å; N955-S1022 WeakPolarHBondContact ND2-CB 3.25Å; N955-S1022 PolarHBondContact ND2-OG 3.39Å; N955-S1022 PolarHBondContact OD1-OG 2.93Å; N955-R1024 VanDerWaalsContact OD1-CG 3.29Å; N955-R1024 WeakPolarHBondContact OD1-CG 3.36Å; N955-R1024 PolarHBondContact OD1-NE 2.8Å; N955-R1024 VanDerWaalsContact OD1-NE 3.13Å |
| 956 | L | 35 | Very low | 31.1 | Very low | 62 Ų | 62 | 85.1 Ų | 85.1 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -50 | -43.9 | 177.1 | -129.4 | 76.8 | 0 | 0 | 0 | 113 | N958 I959 L1023 V1025 | L956-N958 PolarHBondContact O-N 3.48Å; L956-N958 VanDerWaalsContact O-N 3.09Å; L956-I959 HydrophobicContact CD1-CD1 4.26Å; L956-I959 HydrophobicContact CG-CD1 4.32Å; L956-I959 WeakPolarHBondContact O-CB 3.44Å; L956-I959 WeakPolarHBondContact O-CG1 3.04Å; L956-I959 PolarHBondContact O-N 3.5Å; L956-L1023 HydrophobicContact CD1-CB 4.35Å; L956-L1023 PolarHBondContact N-O 3.11Å; L956-L1023 VanDerWaalsContact N-O 3.14Å; L956-V1025 HydrophobicContact CD1-CG2 4.38Å |
| 957 | E | 35.5 | Very low | 31.3 | Very low | 127 Ų | 127 | 89.9 Ų | 89.9 | 59% | 0.593 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -59.2 | -18.7 | 178 | -57.7 | 154.4 | 167.9 | 0 | 0 | 114.4 | N955 | N955-E957 PolarHBondContact ND2-OE2 3.32Å; N955-E957 PolarHBondContact O-N 3.42Å |
| 958 | N | 38.7 | Very low | 31.9 | Very low | 108 Ų | 108 | 88 Ų | 88 | 58% | 0.578 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -100.6 | 3.3 | -179.2 | -70.8 | -92.6 | 0 | 0 | 0 | 112.7 | L954 N955 L956 P960 | L954-N958 HydrophobicContact CD2-CB 3.82Å; N955-N958 WeakPolarHBondContact CB-ND2 3.45Å; N955-N958 PolarHBondContact O-N 3.31Å; L956-N958 PolarHBondContact O-N 3.48Å; L956-N958 VanDerWaalsContact O-N 3.09Å; N958-P960 WeakPolarHBondContact O-CD 3.03Å |
| 959 | I | 34.1 | Very low | 32.4 | Very low | 46 Ų | 46 | 89.4 Ų | 89.4 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -74.4 | 117 | 167.7 | -58 | 174.1 | 0 | 0 | 0 | 106.8 | L956 V961 Y969 | L956-I959 HydrophobicContact CD1-CD1 4.26Å; L956-I959 HydrophobicContact CG-CD1 4.32Å; L956-I959 WeakPolarHBondContact O-CB 3.44Å; L956-I959 WeakPolarHBondContact O-CG1 3.04Å; L956-I959 PolarHBondContact O-N 3.5Å; I959-V961 PolarHBondContact O-N 2.99Å; I959-V961 VanDerWaalsContact O-N 3.15Å; I959-Y969 HydrophobicContact CG2-CD1 4.18Å; I959-Y969 HydrophobicContact CG2-CE1 3.86Å; I959-Y969 HydrophobicContact CG2-CE2 4.26Å; I959-Y969 HydrophobicContact CG2-CG 4.49Å |
| 960 | P | 30.5 | Very low | 32.9 | Very low | 102 Ų | 102 | 88.7 Ų | 88.7 | 66% | 0.662 | 49% | 0.485 | S | S | * | . | trans | -68.8 | 116.1 | -176.3 | 27.2 | -33.1 | 0 | 0 | 0 | 110.2 | N958 L962 | N958-P960 WeakPolarHBondContact O-CD 3.03Å; P960-L962 PolarHBondContact O-N 2.79Å | ||
| 961 | V | 28.5 | Very low | 33.5 | Very low | 98 Ų | 98 | 87.2 Ų | 87.2 | 59% | 0.594 | 47% | 0.472 | S | S | * | . | trans | -69.9 | 90.9 | 176.4 | -172.7 | 0 | 0 | 0 | 0 | 109 | I959 I963 | I959-V961 PolarHBondContact O-N 2.99Å; I959-V961 VanDerWaalsContact O-N 3.15Å; V961-I963 HydrophobicContact CG1-CG1 3.91Å; V961-I963 PolarHBondContact O-N 2.88Å; V961-I963 VanDerWaalsContact O-N 3.15Å | ||
| 962 | L | 27.7 | Very low | 34 | Very low | 131 Ų | 131 | 86.2 Ų | 86.2 | 69% | 0.686 | 47% | 0.474 | S | S | * | . | trans | -77.7 | 97.1 | 173.3 | -153.8 | 88 | 0 | 0 | 0 | 108.8 | P960 Q964 | P960-L962 PolarHBondContact O-N 2.79Å; L962-Q964 HydrophobicContact CD2-CG 4.25Å; L962-Q964 PolarHBondContact O-N 3.45Å | ||
| 963 | I | 27.2 | Very low | 34.4 | Very low | 146 Ų | 146 | 81.7 Ų | 81.7 | 75% | 0.749 | 45% | 0.451 | S | S | * | . | trans | -76.4 | 73.3 | 179.6 | -49.5 | 174.4 | 0 | 0 | 0 | 109.5 | V961 | V961-I963 HydrophobicContact CG1-CG1 3.91Å; V961-I963 PolarHBondContact O-N 2.88Å; V961-I963 VanDerWaalsContact O-N 3.15Å | ||
| 964 | Q | 27.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 81.4 Ų | 81.4 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | trans | -87.3 | 124.5 | 160.6 | -80.7 | -166.3 | -37 | 0 | 0 | 109 | L962 S966 | L962-Q964 HydrophobicContact CD2-CG 4.25Å; L962-Q964 PolarHBondContact O-N 3.45Å; Q964-S966 PolarHBondContact O-N 3.44Å | ||
| 965 | P | 33.5 | Very low | 35 | Very low | 108 Ų | 108 | 78.4 Ų | 78.4 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -71.5 | 4.3 | -162.9 | -23.1 | 35.7 | 0 | 0 | 0 | 117.5 | K1000 | P965-K1000 WeakPolarHBondContact O-CE 3.2Å; P965-K1000 PolarHBondContact O-NZ 2.74Å |
| 966 | S | 36.4 | Very low | 35.1 | Very low | 81 Ų | 81 | 79.1 Ų | 79.1 | 57% | 0.566 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -111.2 | -57.3 | -179.5 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | Q964 | Q964-S966 PolarHBondContact O-N 3.44Š|
| 967 | N | 34 | Very low | 35.6 | Very low | 123 Ų | 123 | 77.5 Ų | 77.5 | 66% | 0.658 | 44% | 0.436 | S | S | * | . | trans | -111.4 | 127.8 | -168.2 | -61.5 | -6.2 | 0 | 0 | 0 | 111.4 | ||||
| 968 | G | 38.3 | Very low | 35.8 | Very low | 18 Ų | 18 | 73.8 Ų | 73.8 | 19% | 0.186 | 42% | 0.423 | C | S | . | . | trans | -76.4 | 165.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C970 L998 | G968-C970 PolarHBondContact O-N 2.99Å; G968-C970 PolarHBondContact O-SG 3.3Å; G968-C970 VanDerWaalsContact O-SG 3.37Å; G968-L998 WeakPolarHBondContact CA-O 3.19Å | ||
| 969 | Y | 41.6 | Very low | 36 | Very low | 87 Ų | 87 | 73.6 Ų | 73.6 | 34% | 0.341 | 42% | 0.415 | S | S | . | . | trans | -57.7 | 129.6 | -176.8 | 170.3 | -104.8 | 0 | 0 | 0 | 113.1 | I959 I971 F982 C997 L998 | I959-Y969 HydrophobicContact CG2-CD1 4.18Å; I959-Y969 HydrophobicContact CG2-CE1 3.86Å; I959-Y969 HydrophobicContact CG2-CE2 4.26Å; I959-Y969 HydrophobicContact CG2-CG 4.49Å; Y969-I971 HydrophobicContact CD1-CG2 4.39Å; Y969-I971 HydrophobicContact CE1-CG2 3.47Å; Y969-I971 VanDerWaalsContact CE1-CG2 3.47Å; Y969-F982 HydrophobicContact CD1-CE1 4.04Å; Y969-F982 HydrophobicContact CD1-CZ 4.06Å; Y969-F982 HydrophobicContact CE1-CE1 4.46Å; Y969-F982 HydrophobicContact CE1-CZ 4.28Å; Y969-F982 WeakPolarHBondContact O-CE1 3.42Å; Y969-C997 CarbonylContact O-C 3.53Å; Y969-C997 WeakPolarHBondContact O-CA 3.24Å; Y969-L998 HydrophobicContact CD1-CD1 4.4Å; Y969-L998 PolarHBondContact O-N 2.78Å | ||
| 970 | C | 38.7 | Very low | 36.8 | Very low | 58 Ų | 58 | 80.4 Ų | 80.4 | 39% | 0.392 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 146.7 | -176.7 | -53.8 | 0 | 0 | 0 | 0 | 113.9 | G968 I995 C996 C997 | G968-C970 PolarHBondContact O-N 2.99Å; G968-C970 PolarHBondContact O-SG 3.3Å; G968-C970 VanDerWaalsContact O-SG 3.37Å; C970-I995 HydrophobicContact CB-CG2 4.21Å; C970-C996 CarbonylContact C-O 3.59Å; C970-C996 VanDerWaalsContact CA-O 3.25Å; C970-C996 WeakPolarHBondContact CA-O 3.42Å; C970-C997 HydrophobicContact CB-CB 4.06Å; C970-C997 WeakPolarHBondContact CB-SG 3.18Å; C970-C997 WeakPolarHBondContact SG-CB 3.44Å; C970-C997 CovalentContact SG-SG 2.04Å; C970-C997 PolarHBondContact SG-SG 3.36Å |
| 971 | I | 39.7 | Very low | 37.8 | Very low | 36 Ų | 36 | 78 Ų | 78 | 19% | 0.185 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.3 | 170.7 | 56.9 | -179.5 | 0 | 0 | 0 | 109.8 | Y969 V973 P978 F982 C996 | Y969-I971 HydrophobicContact CD1-CG2 4.39Å; Y969-I971 HydrophobicContact CE1-CG2 3.47Å; Y969-I971 VanDerWaalsContact CE1-CG2 3.47Å; I971-V973 HydrophobicContact CD1-CG2 3.99Å; I971-V973 HydrophobicContact CG1-CG2 3.9Å; I971-P978 HydrophobicContact CD1-CG 3.54Å; I971-F982 HydrophobicContact CD1-CD1 4.25Å; I971-F982 HydrophobicContact CD1-CE1 3.9Å; I971-F982 HydrophobicContact CD1-CE2 4.25Å; I971-F982 HydrophobicContact CD1-CZ 3.89Å; I971-F982 HydrophobicContact CG1-CD1 4.2Å; I971-F982 HydrophobicContact CG1-CE1 3.87Å; I971-F982 HydrophobicContact CG1-CZ 4.34Å; I971-F982 HydrophobicContact CG2-CE1 4.44Å; I971-C996 HydrophobicContact CG1-CB 3.93Å; I971-C996 PolarHBondContact N-O 2.85Å; I971-C996 PolarHBondContact O-N 2.74Å |
| 972 | S | 36.9 | Very low | 38.8 | Very low | 57 Ų | 57 | 74.4 Ų | 74.4 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.5 | 169.3 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | V994 | S972-V994 WeakPolarHBondContact CA-O 3.29Å |
| 973 | V | 36.7 | Very low | 39.7 | Very low | 11 Ų | 11 | 74.7 Ų | 74.7 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.9 | -172.8 | -156.8 | 0 | 0 | 0 | 0 | 107.8 | L874 I971 T993 V994 | L874-V973 HydrophobicContact CD2-CG1 3.84Å; I971-V973 HydrophobicContact CD1-CG2 3.99Å; I971-V973 HydrophobicContact CG1-CG2 3.9Å; V973-T993 CarbonylContact O-C 3.45Å; V973-T993 WeakPolarHBondContact O-CA 3.26Å; V973-V994 PolarHBondContact N-O 3.1Å; V973-V994 PolarHBondContact O-N 3.34Å |
| 974 | F | 33.8 | Very low | 40.8 | Very low | 77 Ų | 77 | 71.7 Ų | 71.7 | 34% | 0.338 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128.8 | 159.6 | -98.7 | -107.6 | 0 | 0 | 0 | 107.9 | I872 M873 M991 N992 T993 | I872-F974 WeakPolarHBondContact CG2-O 3.21Å; M873-F974 WeakPolarHBondContact O-CB 3.29Å; F974-M991 WeakPolarHBondContact CZ-O 3.01Å; F974-N992 HydrophobicContact CD1-CB 3.96Å; F974-N992 HydrophobicContact CE1-CB 3.7Å; F974-T993 HydrophobicContact CD2-CG2 3.41Å; F974-T993 VanDerWaalsContact CD2-CG2 3.41Å; F974-T993 HydrophobicContact CE2-CG2 3.55Å; F974-T993 HydrophobicContact CG-CG2 4.2Å; F974-T993 HydrophobicContact CZ-CG2 4.42Å |
| 975 | G | 41.2 | Very low | 41.6 | Very low | 24 Ų | 24 | 70.8 Ų | 70.8 | 25% | 0.247 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 67.1 | -167.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | V994 | G975-V994 WeakPolarHBondContact O-CB 3.48Å; G975-V994 WeakPolarHBondContact O-CG2 3.35Å |
| 976 | N | 42.7 | Very low | 41.8 | Very low | 41 Ų | 41 | 67 Ų | 67 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -67.6 | 164.4 | -164.3 | -53.2 | 72.3 | 0 | 0 | 0 | 115.7 | E834 S870 I872 | E834-N976 PolarHBondContact OE1-ND2 2.95Å; S870-N976 WeakPolarHBondContact CB-OD1 3.32Å; S870-N976 VanDerWaalsContact OG-CG 3.32Å; S870-N976 PolarHBondContact OG-OD1 2.97Å; I872-N976 HydrophobicContact CD1-CB 4Å |
| 977 | C | 44.2 | Very low | 41.8 | Very low | 28 Ų | 28 | 65.7 Ų | 65.7 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 128.4 | -176.9 | -50.3 | 0 | 0 | 0 | 0 | 113.9 | Y979 F982 C996 | C977-Y979 PolarHBondContact O-N 2.84Å; C977-F982 HydrophobicContact CB-CB 3.72Å; C977-C996 WeakPolarHBondContact CA-SG 3.37Å; C977-C996 HydrophobicContact CB-CB 3.58Å; C977-C996 WeakPolarHBondContact CB-SG 3.14Å; C977-C996 PolarHBondContact N-SG 2.03Å; C977-C996 WeakPolarHBondContact SG-CB 3.36Å; C977-C996 CovalentContact SG-SG 2.03Å; C977-C996 PolarHBondContact SG-SG 2.85Å |
| 978 | P | 39.8 | Very low | 41.7 | Very low | 49 Ų | 49 | 61.7 Ų | 61.7 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -70 | 124.8 | 171.6 | 28.7 | -33.9 | 0 | 0 | 0 | 110.4 | I971 F982 | I971-P978 HydrophobicContact CD1-CG 3.54Å; P978-F982 WeakPolarHBondContact O-CD2 3.06Å |
| 979 | Y | 43.9 | Very low | 41.3 | Very low | 104 Ų | 104 | 65.9 Ų | 65.9 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 71.3 | 141.9 | -178 | -44.7 | -77.8 | 0 | 0 | 0 | 116.1 | C977 F981 F982 | C977-Y979 PolarHBondContact O-N 2.84Å; Y979-F981 VanDerWaalsContact CB-CZ 3.43Å; Y979-F981 HydrophobicContact CD2-CE2 4.3Å; Y979-F981 AromaticContact CD2-CZ 3.95Å; Y979-F981 HydrophobicContact CD2-CZ 3.95Å; Y979-F981 HydrophobicContact CG-CE1 4.17Å; Y979-F981 HydrophobicContact CG-CE2 4.32Å; Y979-F981 AromaticContact CG-CZ 3.74Å; Y979-F981 HydrophobicContact CG-CZ 3.74Å; Y979-F981 PolarHBondContact O-N 2.64Å; Y979-F982 PolarHBondContact O-N 2.9Å; Y979-F982 VanDerWaalsContact O-N 3.08Å |
| 980 | K | 50 | Low | 40.6 | Very low | 189 Ų | 189 | 72.1 Ų | 72.1 | 82% | 0.822 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.3 | -173.1 | -65.5 | -172.4 | 174.3 | -170.6 | 0 | 115.8 | F982 | K980-F982 VanDerWaalsContact C-N 3.34Š|
| 981 | F | 51.6 | Low | 40.1 | Very low | 50 Ų | 50 | 75.9 Ų | 75.9 | 22% | 0.219 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.5 | 179.1 | 47.6 | -108.4 | 0 | 0 | 0 | 113.3 | Y979 L998 I999 Y1002 | Y979-F981 VanDerWaalsContact CB-CZ 3.43Å; Y979-F981 HydrophobicContact CD2-CE2 4.3Å; Y979-F981 AromaticContact CD2-CZ 3.95Å; Y979-F981 HydrophobicContact CD2-CZ 3.95Å; Y979-F981 HydrophobicContact CG-CE1 4.17Å; Y979-F981 HydrophobicContact CG-CE2 4.32Å; Y979-F981 AromaticContact CG-CZ 3.74Å; Y979-F981 HydrophobicContact CG-CZ 3.74Å; Y979-F981 PolarHBondContact O-N 2.64Å; F981-L998 HydrophobicContact CB-CD2 4.11Å; F981-L998 HydrophobicContact CD2-CD2 3.74Å; F981-L998 HydrophobicContact CD2-CG 4.17Å; F981-L998 HydrophobicContact CG-CD2 4.29Å; F981-L998 CarbonylContact O-C 3.56Å; F981-L998 WeakPolarHBondContact O-CA 3.24Å; F981-I999 WeakPolarHBondContact O-CG1 3.13Å; F981-I999 PolarHBondContact O-N 3.4Å; F981-Y1002 HydrophobicContact CB-CD1 4.02Å; F981-Y1002 HydrophobicContact CB-CD2 4.4Å; F981-Y1002 HydrophobicContact CB-CG 3.75Å |
| 982 | F | 49.8 | Very low | 39.9 | Very low | 24 Ų | 24 | 79.5 Ų | 79.5 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 136.4 | 164 | -76.2 | -89.9 | 0 | 0 | 0 | 110.3 | Y969 I971 C977 P978 Y979 K980 C996 C997 L998 | Y969-F982 HydrophobicContact CD1-CE1 4.04Å; Y969-F982 HydrophobicContact CD1-CZ 4.06Å; Y969-F982 HydrophobicContact CE1-CE1 4.46Å; Y969-F982 HydrophobicContact CE1-CZ 4.28Å; Y969-F982 WeakPolarHBondContact O-CE1 3.42Å; I971-F982 HydrophobicContact CD1-CD1 4.25Å; I971-F982 HydrophobicContact CD1-CE1 3.9Å; I971-F982 HydrophobicContact CD1-CE2 4.25Å; I971-F982 HydrophobicContact CD1-CZ 3.89Å; I971-F982 HydrophobicContact CG1-CD1 4.2Å; I971-F982 HydrophobicContact CG1-CE1 3.87Å; I971-F982 HydrophobicContact CG1-CZ 4.34Å; I971-F982 HydrophobicContact CG2-CE1 4.44Å; C977-F982 HydrophobicContact CB-CB 3.72Å; P978-F982 WeakPolarHBondContact O-CD2 3.06Å; Y979-F982 PolarHBondContact O-N 2.9Å; Y979-F982 VanDerWaalsContact O-N 3.08Å; K980-F982 VanDerWaalsContact C-N 3.34Å; F982-C996 HydrophobicContact CB-CB 4.33Å; F982-C996 HydrophobicContact CD1-CB 4.33Å; F982-C996 WeakPolarHBondContact CD1-O 3.08Å; F982-C997 WeakPolarHBondContact CA-O 3.36Å; F982-L998 HydrophobicContact CD1-CB 4.43Å; F982-L998 HydrophobicContact CD1-CG 4.29Å; F982-L998 HydrophobicContact CE1-CB 4.34Å; F982-L998 HydrophobicContact CE1-CD1 4.27Å; F982-L998 HydrophobicContact CE1-CG 4.1Å; F982-L998 HydrophobicContact CE2-CD1 4.38Å; F982-L998 HydrophobicContact CE2-CG 4.33Å; F982-L998 HydrophobicContact CZ-CD1 3.98Å; F982-L998 HydrophobicContact CZ-CG 4.13Å |
| 983 | R | 47.1 | Very low | 39.7 | Very low | 137 Ų | 137 | 77.6 Ų | 77.6 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.1 | 174.1 | 178.5 | -177.1 | -62 | 171.8 | 4.4 | 108.8 | C996 C997 I999 E1001 | R983-C996 CarbonylContact O-C 3.53Å; R983-C996 WeakPolarHBondContact O-CA 3.13Å; R983-C997 PolarHBondContact N-O 2.82Å; R983-C997 PolarHBondContact O-N 3.06Å; R983-I999 HydrophobicContact CB-CD1 3.86Å; R983-I999 HydrophobicContact CB-CG1 3.48Å; R983-I999 VanDerWaalsContact CB-CG1 3.48Å; R983-E1001 IonicContact NH2-OE2 3.92Å; R983-E1001 PolarHBondContact NH2-OE2 2.81Å; R983-E1001 VanDerWaalsContact NH2-OE2 3.15Å |
| 984 | E | 49.2 | Very low | 39.8 | Very low | 83 Ų | 83 | 77.8 Ų | 77.8 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 134.8 | 170.5 | 175.5 | 163.9 | 172.9 | 0 | 0 | 110.7 | V994 | E984-V994 HydrophobicContact CB-CG1 4.1Å; E984-V994 HydrophobicContact CG-CG1 3.51Å; E984-V994 WeakPolarHBondContact OE2-CG1 3.09Å |
| 985 | V | 44.2 | Very low | 40.3 | Very low | 101 Ų | 101 | 78 Ų | 78 | 61% | 0.612 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -7.5 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | I995 C997 | V985-I995 PolarHBondContact N-O 2.84Å; V985-C997 HydrophobicContact CG2-CB 3.64Å; V985-C997 VanDerWaalsContact CG2-SG 3.55Å |
| 986 | G | 37.3 | Very low | 40.4 | Very low | 28 Ų | 28 | 76.8 Ų | 76.8 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | 163 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I995 | G986-I995 WeakPolarHBondContact O-CB 3.17Å; G986-I995 PolarHBondContact O-N 2.87Å |
| 987 | A | 37.9 | Very low | 40.5 | Very low | 54 Ų | 54 | 75.4 Ų | 75.4 | 45% | 0.446 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | P989 T993 V994 | A987-P989 WeakPolarHBondContact O-CD 3.18Å; A987-T993 CarbonylContact C-O 3.59Å; A987-T993 VanDerWaalsContact CA-O 3.31Å; A987-T993 WeakPolarHBondContact CA-O 3.17Å; A987-V994 HydrophobicContact CB-CG2 4.36Å |
| 988 | A | 31.7 | Very low | 40.8 | Very low | 39 Ų | 39 | 75.8 Ų | 75.8 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 105.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y990 M991 N992 T993 | A988-Y990 PolarHBondContact O-N 2.84Å; A988-M991 HydrophobicContact CB-CB 4.38Å; A988-M991 PolarHBondContact O-N 2.04Å; A988-N992 PolarHBondContact O-N 2.92Å; A988-T993 PolarHBondContact N-O 2.9Å |
| 989 | P | 28.7 | Very low | 41.6 | Very low | 107 Ų | 107 | 74.3 Ų | 74.3 | 70% | 0.695 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -8.1 | -166.1 | 26.3 | -36 | 0 | 0 | 0 | 115.4 | A987 | A987-P989 WeakPolarHBondContact O-CD 3.18Š|
| 990 | Y | 28.2 | Very low | 41.7 | Very low | 218 Ų | 218 | 75.2 Ų | 75.2 | 86% | 0.855 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -1.2 | 178.6 | -55.9 | -65.7 | 0 | 0 | 0 | 114.1 | A988 | A988-Y990 PolarHBondContact O-N 2.84Š|
| 991 | M | 28.4 | Very low | 41.7 | Very low | 136 Ų | 136 | 72.8 Ų | 72.8 | 67% | 0.67 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | 6.6 | -174.2 | -67.6 | -166.6 | 179.1 | 0 | 0 | 114.5 | F974 A988 T993 | F974-M991 WeakPolarHBondContact CZ-O 3.01Å; A988-M991 HydrophobicContact CB-CB 4.38Å; A988-M991 PolarHBondContact O-N 2.04Å; M991-T993 PolarHBondContact O-N 2.04Å |
| 992 | N | 34.6 | Very low | 41.4 | Very low | 112 Ų | 112 | 74.7 Ų | 74.7 | 60% | 0.599 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 27.1 | -179.9 | -65.7 | 3.1 | 0 | 0 | 0 | 114.7 | F974 A988 | F974-N992 HydrophobicContact CD1-CB 3.96Å; F974-N992 HydrophobicContact CE1-CB 3.7Å; A988-N992 PolarHBondContact O-N 2.92Å |
| 993 | T | 32.2 | Very low | 41.1 | Very low | 17 Ų | 17 | 76.4 Ų | 76.4 | 10% | 0.104 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.1 | 178.5 | 38.4 | 0 | 0 | 0 | 0 | 111.1 | V973 F974 A987 A988 M991 | V973-T993 CarbonylContact O-C 3.45Å; V973-T993 WeakPolarHBondContact O-CA 3.26Å; F974-T993 HydrophobicContact CD2-CG2 3.41Å; F974-T993 VanDerWaalsContact CD2-CG2 3.41Å; F974-T993 HydrophobicContact CE2-CG2 3.55Å; F974-T993 HydrophobicContact CG-CG2 4.2Å; F974-T993 HydrophobicContact CZ-CG2 4.42Å; A987-T993 CarbonylContact C-O 3.59Å; A987-T993 VanDerWaalsContact CA-O 3.31Å; A987-T993 WeakPolarHBondContact CA-O 3.17Å; A988-T993 PolarHBondContact N-O 2.9Å; M991-T993 PolarHBondContact O-N 2.04Å |
| 994 | V | 39.3 | Very low | 40.9 | Very low | 16 Ų | 16 | 73.5 Ų | 73.5 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 140.6 | 177.9 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | S972 V973 G975 E984 A987 | S972-V994 WeakPolarHBondContact CA-O 3.29Å; V973-V994 PolarHBondContact N-O 3.1Å; V973-V994 PolarHBondContact O-N 3.34Å; G975-V994 WeakPolarHBondContact O-CB 3.48Å; G975-V994 WeakPolarHBondContact O-CG2 3.35Å; E984-V994 HydrophobicContact CB-CG1 4.1Å; E984-V994 HydrophobicContact CG-CG1 3.51Å; E984-V994 WeakPolarHBondContact OE2-CG1 3.09Å; A987-V994 HydrophobicContact CB-CG2 4.36Å |
| 995 | I | 43.5 | Very low | 40.7 | Very low | 80 Ų | 80 | 75 Ų | 75 | 41% | 0.41 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.9 | 173.3 | -56.7 | 176.8 | 0 | 0 | 0 | 108 | C970 V985 G986 | C970-I995 HydrophobicContact CB-CG2 4.21Å; V985-I995 PolarHBondContact N-O 2.84Å; G986-I995 WeakPolarHBondContact O-CB 3.17Å; G986-I995 PolarHBondContact O-N 2.87Å |
| 996 | C | 43.8 | Very low | 40.5 | Very low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118 | -172 | -73.6 | 0 | 0 | 0 | 0 | 109.9 | C970 I971 C977 F982 R983 | C970-C996 CarbonylContact C-O 3.59Å; C970-C996 VanDerWaalsContact CA-O 3.25Å; C970-C996 WeakPolarHBondContact CA-O 3.42Å; I971-C996 HydrophobicContact CG1-CB 3.93Å; I971-C996 PolarHBondContact N-O 2.85Å; I971-C996 PolarHBondContact O-N 2.74Å; C977-C996 WeakPolarHBondContact CA-SG 3.37Å; C977-C996 HydrophobicContact CB-CB 3.58Å; C977-C996 WeakPolarHBondContact CB-SG 3.14Å; C977-C996 PolarHBondContact N-SG 2.03Å; C977-C996 WeakPolarHBondContact SG-CB 3.36Å; C977-C996 CovalentContact SG-SG 2.03Å; C977-C996 PolarHBondContact SG-SG 2.85Å; F982-C996 HydrophobicContact CB-CB 4.33Å; F982-C996 HydrophobicContact CD1-CB 4.33Å; F982-C996 WeakPolarHBondContact CD1-O 3.08Å; R983-C996 CarbonylContact O-C 3.53Å; R983-C996 WeakPolarHBondContact O-CA 3.13Å |
| 997 | C | 46.1 | Very low | 40.6 | Very low | 11 Ų | 11 | 74.4 Ų | 74.4 | 7% | 0.074 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.2 | -175.9 | -52.6 | 0 | 0 | 0 | 0 | 112.5 | Y969 C970 F982 R983 V985 I999 | Y969-C997 CarbonylContact O-C 3.53Å; Y969-C997 WeakPolarHBondContact O-CA 3.24Å; C970-C997 HydrophobicContact CB-CB 4.06Å; C970-C997 WeakPolarHBondContact CB-SG 3.18Å; C970-C997 WeakPolarHBondContact SG-CB 3.44Å; C970-C997 CovalentContact SG-SG 2.04Å; C970-C997 PolarHBondContact SG-SG 3.36Å; F982-C997 WeakPolarHBondContact CA-O 3.36Å; R983-C997 PolarHBondContact N-O 2.82Å; R983-C997 PolarHBondContact O-N 3.06Å; V985-C997 HydrophobicContact CG2-CB 3.64Å; V985-C997 VanDerWaalsContact CG2-SG 3.55Å; C997-I999 PolarHBondContact O-N 2.8Å |
| 998 | L | 49.4 | Very low | 40.7 | Very low | 36 Ų | 36 | 80.7 Ų | 80.7 | 19% | 0.188 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 127.8 | -178.3 | -119.1 | 157.3 | 0 | 0 | 0 | 111.3 | G968 Y969 F981 F982 | G968-L998 WeakPolarHBondContact CA-O 3.19Å; Y969-L998 HydrophobicContact CD1-CD1 4.4Å; Y969-L998 PolarHBondContact O-N 2.78Å; F981-L998 HydrophobicContact CB-CD2 4.11Å; F981-L998 HydrophobicContact CD2-CD2 3.74Å; F981-L998 HydrophobicContact CD2-CG 4.17Å; F981-L998 HydrophobicContact CG-CD2 4.29Å; F981-L998 CarbonylContact O-C 3.56Å; F981-L998 WeakPolarHBondContact O-CA 3.24Å; F982-L998 HydrophobicContact CD1-CB 4.43Å; F982-L998 HydrophobicContact CD1-CG 4.29Å; F982-L998 HydrophobicContact CE1-CB 4.34Å; F982-L998 HydrophobicContact CE1-CD1 4.27Å; F982-L998 HydrophobicContact CE1-CG 4.1Å; F982-L998 HydrophobicContact CE2-CD1 4.38Å; F982-L998 HydrophobicContact CE2-CG 4.33Å; F982-L998 HydrophobicContact CZ-CD1 3.98Å; F982-L998 HydrophobicContact CZ-CG 4.13Å |
| 999 | I | 56.6 | Low | 40.7 | Very low | 19 Ų | 19 | 85 Ų | 85 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | trans | -72.6 | 128.7 | -179.2 | -58.4 | 169.6 | 0 | 0 | 0 | 109.5 | F981 R983 C997 E1001 Y1002 | F981-I999 WeakPolarHBondContact O-CG1 3.13Å; F981-I999 PolarHBondContact O-N 3.4Å; R983-I999 HydrophobicContact CB-CD1 3.86Å; R983-I999 HydrophobicContact CB-CG1 3.48Å; R983-I999 VanDerWaalsContact CB-CG1 3.48Å; C997-I999 PolarHBondContact O-N 2.8Å; I999-E1001 HydrophobicContact CG2-CB 3.97Å; I999-E1001 HydrophobicContact CG2-CG 4.29Å; I999-E1001 WeakPolarHBondContact CG2-OE2 3.34Å; I999-E1001 PolarHBondContact O-N 3.06Å; I999-E1001 VanDerWaalsContact O-N 3.15Å; I999-Y1002 HydrophobicContact CB-CD2 3.93Å; I999-Y1002 HydrophobicContact CD1-CD2 4.15Å; I999-Y1002 HydrophobicContact CD1-CE2 4.23Å; I999-Y1002 HydrophobicContact CG2-CD2 4Å; I999-Y1002 PolarHBondContact O-N 2.85Å | ||
| 1000 | K | 46.8 | Very low | 40.9 | Very low | 122 Ų | 122 | 83.3 Ų | 83.3 | 53% | 0.53 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -53.5 | -36.4 | -179.1 | -149 | 178.8 | -169.6 | 178.6 | 0 | 113.6 | P965 Y1002 I1003 | P965-K1000 WeakPolarHBondContact O-CE 3.2Å; P965-K1000 PolarHBondContact O-NZ 2.74Å; K1000-Y1002 VanDerWaalsContact C-N 3.26Å; K1000-Y1002 PolarHBondContact O-N 3.47Å; K1000-I1003 HydrophobicContact CG-CD1 4.17Å; K1000-I1003 WeakPolarHBondContact O-CB 3.36Å; K1000-I1003 PolarHBondContact O-N 3.44Å |
| 1001 | E | 49.8 | Very low | 41.1 | Very low | 139 Ų | 139 | 80.3 Ų | 80.3 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -69 | -19.5 | -179.7 | -60 | 157.4 | 125.2 | 0 | 0 | 113.5 | R983 I999 P1004 | R983-E1001 IonicContact NH2-OE2 3.92Å; R983-E1001 PolarHBondContact NH2-OE2 2.81Å; R983-E1001 VanDerWaalsContact NH2-OE2 3.15Å; I999-E1001 HydrophobicContact CG2-CB 3.97Å; I999-E1001 HydrophobicContact CG2-CG 4.29Å; I999-E1001 WeakPolarHBondContact CG2-OE2 3.34Å; I999-E1001 PolarHBondContact O-N 3.06Å; I999-E1001 VanDerWaalsContact O-N 3.15Å; E1001-P1004 WeakPolarHBondContact O-CD 3.45Å |
| 1002 | Y | 43.9 | Very low | 41.1 | Very low | 89 Ų | 89 | 79.1 Ų | 79.1 | 35% | 0.349 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -99.6 | -7.6 | 177.6 | -75.7 | -91 | 0 | 0 | 0 | 113.6 | F981 I999 K1000 P1004 E1005 V1006 | F981-Y1002 HydrophobicContact CB-CD1 4.02Å; F981-Y1002 HydrophobicContact CB-CD2 4.4Å; F981-Y1002 HydrophobicContact CB-CG 3.75Å; I999-Y1002 HydrophobicContact CB-CD2 3.93Å; I999-Y1002 HydrophobicContact CD1-CD2 4.15Å; I999-Y1002 HydrophobicContact CD1-CE2 4.23Å; I999-Y1002 HydrophobicContact CG2-CD2 4Å; I999-Y1002 PolarHBondContact O-N 2.85Å; K1000-Y1002 VanDerWaalsContact C-N 3.26Å; K1000-Y1002 PolarHBondContact O-N 3.47Å; Y1002-P1004 VanDerWaalsContact C-CD 3.46Å; Y1002-P1004 VanDerWaalsContact C-N 3.28Å; Y1002-E1005 WeakPolarHBondContact CD1-OE2 3.42Å; Y1002-E1005 PolarHBondContact O-N 2.9Å; Y1002-V1006 PolarHBondContact O-N 3.1Å; Y1002-V1006 VanDerWaalsContact O-N 3.15Å |
| 1003 | I | 45.3 | Very low | 40.6 | Very low | 61 Ų | 61 | 78.6 Ų | 78.6 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -53.9 | -41.8 | 170.3 | -57.9 | 174.8 | 0 | 0 | 0 | 111.1 | K1000 E1005 V1006 D1007 | K1000-I1003 HydrophobicContact CG-CD1 4.17Å; K1000-I1003 WeakPolarHBondContact O-CB 3.36Å; K1000-I1003 PolarHBondContact O-N 3.44Å; I1003-E1005 VanDerWaalsContact C-N 3.3Å; I1003-E1005 PolarHBondContact O-N 2.86Å; I1003-V1006 PolarHBondContact O-N 3.12Å; I1003-D1007 PolarHBondContact O-N 3.27Å |
| 1004 | P | 42.9 | Very low | 40.3 | Very low | 75 Ų | 75 | 82.2 Ų | 82.2 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -25.3 | 174.3 | -24 | 35.7 | 0 | 0 | 0 | 115.4 | E1001 Y1002 R1008 | E1001-P1004 WeakPolarHBondContact O-CD 3.45Å; Y1002-P1004 VanDerWaalsContact C-CD 3.46Å; Y1002-P1004 VanDerWaalsContact C-N 3.28Å; P1004-R1008 VanDerWaalsContact O-CB 3.32Å; P1004-R1008 WeakPolarHBondContact O-CB 3.4Å; P1004-R1008 VanDerWaalsContact O-CG 3.24Å; P1004-R1008 WeakPolarHBondContact O-CG 3.4Å; P1004-R1008 PolarHBondContact O-N 2.82Å |
| 1005 | E | 44.7 | Very low | 39.6 | Very low | 114 Ų | 114 | 86.8 Ų | 86.8 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -75 | -42.8 | 171.4 | -73.6 | -154.3 | 131.4 | 0 | 0 | 111.1 | Y1002 I1003 D1007 R1008 L1009 | Y1002-E1005 WeakPolarHBondContact CD1-OE2 3.42Å; Y1002-E1005 PolarHBondContact O-N 2.9Å; I1003-E1005 VanDerWaalsContact C-N 3.3Å; I1003-E1005 PolarHBondContact O-N 2.86Å; E1005-D1007 VanDerWaalsContact C-N 3.31Å; E1005-D1007 PolarHBondContact O-N 3.32Å; E1005-R1008 PolarHBondContact O-N 3.5Å; E1005-L1009 WeakPolarHBondContact O-CD1 3.31Å; E1005-L1009 PolarHBondContact O-N 2.93Å |
| 1006 | V | 40 | Very low | 38.7 | Very low | 48 Ų | 48 | 87.6 Ų | 87.6 | 29% | 0.291 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | Y1002 I1003 L1009 N1010 | Y1002-V1006 PolarHBondContact O-N 3.1Å; Y1002-V1006 VanDerWaalsContact O-N 3.15Å; I1003-V1006 PolarHBondContact O-N 3.12Å; V1006-L1009 PolarHBondContact O-N 2.84Å; V1006-N1010 VanDerWaalsContact O-CG 3.23Å; V1006-N1010 PolarHBondContact O-N 2.84Å; V1006-N1010 PolarHBondContact O-ND2 3.45Å |
| 1007 | D | 39.7 | Very low | 37.6 | Very low | 69 Ų | 69 | 93.6 Ų | 93.6 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.8 | -30.8 | 176.2 | -79.7 | -27 | 0 | 0 | 0 | 113.5 | I1003 E1005 N1010 Q1011 | I1003-D1007 PolarHBondContact O-N 3.27Å; E1005-D1007 VanDerWaalsContact C-N 3.31Å; E1005-D1007 PolarHBondContact O-N 3.32Å; D1007-N1010 PolarHBondContact O-N 3.19Å; D1007-N1010 PolarHBondContact OD1-ND2 3.29Å; D1007-Q1011 WeakPolarHBondContact O-CB 3.42Å; D1007-Q1011 WeakPolarHBondContact O-CG 3.33Å; D1007-Q1011 PolarHBondContact O-N 2.96Å |
| 1008 | R | 38.6 | Very low | 36.5 | Very low | 186 Ų | 186 | 99.1 Ų | 99.1 | 70% | 0.702 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.7 | -37.7 | 170.8 | -83.2 | 177 | 170.2 | -161.2 | -1.9 | 112.6 | P1004 E1005 N1010 Q1011 T1012 | P1004-R1008 VanDerWaalsContact O-CB 3.32Å; P1004-R1008 WeakPolarHBondContact O-CB 3.4Å; P1004-R1008 VanDerWaalsContact O-CG 3.24Å; P1004-R1008 WeakPolarHBondContact O-CG 3.4Å; P1004-R1008 PolarHBondContact O-N 2.82Å; E1005-R1008 PolarHBondContact O-N 3.5Å; R1008-N1010 VanDerWaalsContact C-N 3.32Å; R1008-Q1011 PolarHBondContact O-N 2.73Å; R1008-T1012 WeakPolarHBondContact O-CG2 3.46Å; R1008-T1012 PolarHBondContact O-N 2.71Å; R1008-T1012 VanDerWaalsContact O-N 3.11Å; R1008-T1012 PolarHBondContact O-OG1 3.14Å |
| 1009 | L | 32.7 | Very low | 35.3 | Very low | 130 Ų | 130 | 102.7 Ų | 102.7 | 68% | 0.681 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.6 | -40.5 | 169.1 | -92.4 | 107.3 | 0 | 0 | 0 | 111.1 | E1005 V1006 T1012 | E1005-L1009 WeakPolarHBondContact O-CD1 3.31Å; E1005-L1009 PolarHBondContact O-N 2.93Å; V1006-L1009 PolarHBondContact O-N 2.84Å; L1009-T1012 PolarHBondContact O-OG1 3.26Å |
| 1010 | N | 31.6 | Very low | 33.8 | Very low | 72 Ų | 72 | 107.5 Ų | 107.5 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.5 | -41 | 176 | -67.2 | -29.3 | 0 | 0 | 0 | 112.3 | V1006 D1007 R1008 S1013 | V1006-N1010 VanDerWaalsContact O-CG 3.23Å; V1006-N1010 PolarHBondContact O-N 2.84Å; V1006-N1010 PolarHBondContact O-ND2 3.45Å; D1007-N1010 PolarHBondContact O-N 3.19Å; D1007-N1010 PolarHBondContact OD1-ND2 3.29Å; R1008-N1010 VanDerWaalsContact C-N 3.32Å; N1010-S1013 PolarHBondContact O-OG 3.44Å |
| 1011 | Q | 32.9 | Very low | 32.8 | Very low | 154 Ų | 154 | 109.2 Ų | 109.2 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79 | -23.5 | -175.8 | -73.3 | -179.5 | 18.8 | 0 | 0 | 114.9 | D1007 R1008 S1013 | D1007-Q1011 WeakPolarHBondContact O-CB 3.42Å; D1007-Q1011 WeakPolarHBondContact O-CG 3.33Å; D1007-Q1011 PolarHBondContact O-N 2.96Å; R1008-Q1011 PolarHBondContact O-N 2.73Å; Q1011-S1013 VanDerWaalsContact C-N 3.27Å; Q1011-S1013 PolarHBondContact O-N 3.28Å |
| 1012 | T | 27.7 | Very low | 31.7 | Very low | 112 Ų | 112 | 104.1 Ų | 104.1 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -5.4 | -179.8 | 45.1 | 0 | 0 | 0 | 0 | 114 | R1008 L1009 S1014 | R1008-T1012 WeakPolarHBondContact O-CG2 3.46Å; R1008-T1012 PolarHBondContact O-N 2.71Å; R1008-T1012 VanDerWaalsContact O-N 3.11Å; R1008-T1012 PolarHBondContact O-OG1 3.14Å; L1009-T1012 PolarHBondContact O-OG1 3.26Å; T1012-S1014 VanDerWaalsContact C-N 3.29Å; T1012-S1014 PolarHBondContact O-N 2.96Å |
| 1013 | S | 26 | Very low | 31 | Very low | 100 Ų | 100 | 104.5 Ų | 104.5 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | trans | -86.6 | 32 | -176.1 | 67.6 | 0 | 0 | 0 | 0 | 115.5 | N1010 Q1011 | N1010-S1013 PolarHBondContact O-OG 3.44Å; Q1011-S1013 VanDerWaalsContact C-N 3.27Å; Q1011-S1013 PolarHBondContact O-N 3.28Å | ||
| 1014 | S | 24.6 | Very low | 30.3 | Very low | 93 Ų | 93 | 108.1 Ų | 108.1 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | trans | -96.2 | 135.1 | 169.6 | 70 | 0 | 0 | 0 | 0 | 111.8 | T1012 | T1012-S1014 VanDerWaalsContact C-N 3.29Å; T1012-S1014 PolarHBondContact O-N 2.96Å | ||
| 1015 | S | 25.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 107 Ų | 107 | 79% | 0.79 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 78.4 | 146.2 | -175.6 | 80 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1016 | S | 23.1 | Very low | 29.1 | Very low | 97 Ų | 97 | 109.6 Ų | 109.6 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | trans | 45 | 90.2 | 167.2 | 51.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1017 | T | 22.5 | Very low | 28.7 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | 41.2 | 134.1 | 121.1 | 55.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1018 | T | 22.8 | Very low | 28 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 78% | 0.779 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 81.4 | 123.1 | 161.9 | 64.2 | 0 | 0 | 0 | 0 | 120.4 | T1020 | T1018-T1020 PolarHBondContact O-N 2.83Š|
| 1019 | S | 23.7 | Very low | 27.7 | Very low | 110 Ų | 110 | 107.8 Ų | 107.8 | 77% | 0.769 | 61% | 0.61 | S | S | * | * | trans | 57.9 | 39.7 | 159.3 | 53.8 | 0 | 0 | 0 | 0 | 118.3 | N1021 | S1019-N1021 PolarHBondContact O-N 3.18Š| ||
| 1020 | T | 24.5 | Very low | 27.7 | Very low | 121 Ų | 121 | 103.5 Ų | 103.5 | 74% | 0.742 | 59% | 0.589 | S | S | * | * | trans | -66.9 | 114.2 | 158.2 | 40.8 | 0 | 0 | 0 | 0 | 110.1 | T1018 S1022 | T1018-T1020 PolarHBondContact O-N 2.83Å; T1020-S1022 PolarHBondContact O-N 3.02Å | ||
| 1021 | N | 27 | Very low | 28.3 | Very low | 157 Ų | 157 | 103 Ų | 103 | 84% | 0.84 | 59% | 0.587 | S | S | * | * | trans | -71.4 | 71.4 | 170.5 | -77.9 | -36.4 | 0 | 0 | 0 | 110 | S1019 L1023 | S1019-N1021 PolarHBondContact O-N 3.18Å; N1021-L1023 PolarHBondContact O-N 3.32Å; N1021-L1023 VanDerWaalsContact O-N 3.14Å | ||
| 1022 | S | 25.9 | Very low | 29.1 | Very low | 33 Ų | 33 | 95.7 Ų | 95.7 | 23% | 0.231 | 55% | 0.552 | C | S | . | * | trans | -58 | 117 | 172 | 31.5 | 0 | 0 | 0 | 0 | 109 | N955 T1020 R1024 | N955-S1022 WeakPolarHBondContact ND2-CB 3.25Å; N955-S1022 PolarHBondContact ND2-OG 3.39Å; N955-S1022 PolarHBondContact OD1-OG 2.93Å; T1020-S1022 PolarHBondContact O-N 3.02Å; S1022-R1024 PolarHBondContact O-N 3.18Å | ||
| 1023 | L | 29.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | trans | -62.6 | 125.4 | -171.6 | -75.4 | 160.4 | 0 | 0 | 0 | 110 | L956 N1021 | L956-L1023 HydrophobicContact CD1-CB 4.35Å; L956-L1023 PolarHBondContact N-O 3.11Å; L956-L1023 VanDerWaalsContact N-O 3.14Å; N1021-L1023 PolarHBondContact O-N 3.32Å; N1021-L1023 VanDerWaalsContact O-N 3.14Å | ||
| 1024 | R | 31.1 | Very low | 32.3 | Very low | 137 Ų | 137 | 91.8 Ų | 91.8 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132 | 178.9 | -63.5 | -175 | -169.5 | 160.6 | 10.7 | 110.5 | E953 L954 N955 S1022 | E953-R1024 WeakPolarHBondContact OE2-CD 3.48Å; E953-R1024 IonicContact OE2-CZ 2.88Å; E953-R1024 IonicContact OE2-NE 3.92Å; E953-R1024 IonicContact OE2-NH1 2.69Å; E953-R1024 PolarHBondContact OE2-NH1 3.45Å; L954-R1024 WeakPolarHBondContact O-CA 3.46Å; N955-R1024 VanDerWaalsContact OD1-CG 3.29Å; N955-R1024 WeakPolarHBondContact OD1-CG 3.36Å; N955-R1024 PolarHBondContact OD1-NE 2.8Å; N955-R1024 VanDerWaalsContact OD1-NE 3.13Å; S1022-R1024 PolarHBondContact O-N 3.18Å |
| 1025 | V | 32 | Very low | 34.3 | Very low | 53 Ų | 53 | 88.2 Ų | 88.2 | 32% | 0.321 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 139.3 | 172.5 | -173 | 0 | 0 | 0 | 0 | 108.7 | W876 L954 L956 | W876-V1025 HydrophobicContact CZ3-CG1 4Å; L954-V1025 PolarHBondContact O-N 3.17Å; L956-V1025 HydrophobicContact CD1-CG2 4.38Å |
| 1026 | R | 29 | Very low | 36.3 | Very low | 168 Ų | 168 | 91.8 Ų | 91.8 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | trans | -121.1 | 147.3 | 180 | -69.8 | -178.3 | 171 | 161.7 | 0.5 | 110.2 | E953 | E953-R1026 IonicContact OE1-CZ 2.94Å; E953-R1026 IonicContact OE1-NE 3.22Å; E953-R1026 PolarHBondContact OE1-NE 3.43Å; E953-R1026 IonicContact OE1-NH2 3.7Å; E953-R1026 PolarHBondContact OE1-NH2 2.87Å | ||
| 1027 | S | 32.3 | Very low | 38.4 | Very low | 43 Ų | 43 | 91 Ų | 91 | 30% | 0.301 | 48% | 0.477 | S | S | . | . | trans | -110.4 | -6.5 | -171.2 | 51.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1028 | F | 25.6 | Very low | 40.4 | Very low | 138 Ų | 138 | 85.4 Ų | 85.4 | 61% | 0.605 | 44% | 0.442 | S | S | * | . | trans | -143.5 | 147.5 | -178.4 | -85.4 | -85.4 | 0 | 0 | 0 | 113 | ||||
| 1029 | V | 32.1 | Very low | 42.4 | Very low | 83 Ų | 83 | 81.3 Ų | 81.3 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -78.8 | 140.9 | 168.3 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | L1031 F1072 | V1029-L1031 PolarHBondContact O-N 2.85Å; V1029-F1072 HydrophobicContact CG1-CE2 3.88Å; V1029-F1072 HydrophobicContact CG1-CZ 3.9Å | ||
| 1030 | T | 32.7 | Very low | 44.5 | Very low | 40 Ų | 40 | 83.3 Ų | 83.3 | 25% | 0.245 | 41% | 0.408 | C | S | . | . | trans | -73.6 | 121.3 | -175.4 | 58 | 0 | 0 | 0 | 0 | 112.6 | G1032 | T1030-G1032 PolarHBondContact O-N 2.87Å; T1030-G1032 VanDerWaalsContact O-N 3.15Å | ||
| 1031 | L | 43.7 | Very low | 46.5 | Very low | 63 Ų | 63 | 82.2 Ų | 82.2 | 33% | 0.33 | 40% | 0.395 | S | S | . | . | trans | -68.4 | -3.8 | -179.9 | -78.1 | 167.1 | 0 | 0 | 0 | 115.2 | V1029 T1127 I1139 Y1140 | V1029-L1031 PolarHBondContact O-N 2.85Å; L1031-T1127 WeakPolarHBondContact CB-O 3.49Å; L1031-T1127 WeakPolarHBondContact CD1-O 3.44Å; L1031-I1139 WeakPolarHBondContact CB-O 3.41Å; L1031-I1139 CarbonylContact O-C 3.53Å; L1031-I1139 VanDerWaalsContact O-O 3.12Å; L1031-Y1140 VanDerWaalsContact O-CA 3.24Å; L1031-Y1140 WeakPolarHBondContact O-CA 3.19Å | ||
| 1032 | G | 49.4 | Very low | 48.1 | Very low | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | 88.2 | 163.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1030 Y1068 G1128 | T1030-G1032 PolarHBondContact O-N 2.87Å; T1030-G1032 VanDerWaalsContact O-N 3.15Å; G1032-Y1068 CarbonylContact C-O 3.58Å; G1032-Y1068 WeakPolarHBondContact CA-O 3.44Å; G1032-G1128 WeakPolarHBondContact O-CA 3.32Å; G1032-G1128 PolarHBondContact O-N 3.48Å | ||
| 1033 | W | 60.2 | Low | 49.5 | Very low | 105 Ų | 105 | 78.4 Ų | 78.4 | 40% | 0.398 | 37% | 0.367 | S | S | . | . | trans | -105.6 | 125.1 | -164.4 | -66.4 | 46 | 0 | 0 | 0 | 111.5 | Y1068 R1079 S1125 | W1033-Y1068 HydrophobicContact CB-CD1 4.46Å; W1033-Y1068 PolarHBondContact N-O 2.79Å; W1033-R1079 PolarHBondContact O-NH2 2.78Å; W1033-S1125 VanDerWaalsContact CD1-O 3.23Å; W1033-S1125 VanDerWaalsContact CE3-CB 3.5Å; W1033-S1125 VanDerWaalsContact CZ3-CB 3.48Å; W1033-S1125 PolarHBondContact NE1-O 2.79Å | ||
| 1034 | P | 61.2 | Low | 50.5 | Low | 24 Ų | 24 | 80.1 Ų | 80.1 | 16% | 0.156 | 38% | 0.376 | C | S | . | . | trans | -72.8 | 131.7 | 173.3 | 26.9 | -32.9 | 0 | 0 | 0 | 112.1 | E1124 W1130 I1139 | P1034-E1124 WeakPolarHBondContact CD-O 3.3Å; P1034-E1124 HydrophobicContact CG-CB 4.48Å; P1034-W1130 HydrophobicContact CB-CD2 4.42Å; P1034-W1130 HydrophobicContact CB-CE3 3.81Å; P1034-W1130 HydrophobicContact CB-CH2 4.12Å; P1034-W1130 HydrophobicContact CB-CZ3 3.66Å; P1034-W1130 HydrophobicContact CG-CE3 3.85Å; P1034-W1130 HydrophobicContact CG-CZ3 4.13Å; P1034-I1139 HydrophobicContact CB-CD1 3.85Å | ||
| 1035 | T | 66.5 | Low | 51.1 | Low | 19 Ų | 19 | 75.2 Ų | 75.2 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | trans | -83.9 | 167.7 | 173.2 | 90.7 | 0 | 0 | 0 | 0 | 112.3 | D1037 D1038 K1039 Y1068 | T1035-D1037 PolarHBondContact O-N 2.79Å; T1035-D1037 PolarHBondContact OG1-N 2.97Å; T1035-D1037 VanDerWaalsContact OG1-N 3.08Å; T1035-D1038 WeakPolarHBondContact CB-OD1 3.28Å; T1035-D1038 WeakPolarHBondContact CG2-OD1 3.43Å; T1035-D1038 VanDerWaalsContact N-CG 3.34Å; T1035-D1038 PolarHBondContact N-OD2 2.76Å; T1035-D1038 PolarHBondContact OG1-N 3.18Å; T1035-D1038 PolarHBondContact OG1-OD1 3.01Å; T1035-K1039 PolarHBondContact O-N 2.83Å; T1035-Y1068 HydrophobicContact CG2-CD1 4.04Å; T1035-Y1068 HydrophobicContact CG2-CD2 4.43Å; T1035-Y1068 HydrophobicContact CG2-CE1 3.55Å; T1035-Y1068 HydrophobicContact CG2-CE2 3.99Å; T1035-Y1068 HydrophobicContact CG2-CG 4.48Å | ||
| 1036 | K | 68 | Low | 51.8 | Low | 188 Ų | 188 | 74.8 Ų | 74.8 | 82% | 0.817 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.5 | 172.1 | -77.7 | -172.2 | 176.1 | -178.9 | 0 | 113.1 | K1040 | K1036-K1040 PolarHBondContact O-N 2.71Š|
| 1037 | D | 66.9 | Low | 52.5 | Low | 80 Ų | 80 | 67.7 Ų | 67.7 | 43% | 0.428 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -37.1 | 180 | -61.6 | -53.8 | 0 | 0 | 0 | 110.2 | T1035 K1039 K1040 E1041 | T1035-D1037 PolarHBondContact O-N 2.79Å; T1035-D1037 PolarHBondContact OG1-N 2.97Å; T1035-D1037 VanDerWaalsContact OG1-N 3.08Å; D1037-K1039 PolarHBondContact O-N 3.2Å; D1037-K1040 CarbonylContact O-C 3.54Å; D1037-K1040 WeakPolarHBondContact O-CA 3.42Å; D1037-K1040 WeakPolarHBondContact O-CB 3.41Å; D1037-K1040 PolarHBondContact O-N 2.81Å; D1037-E1041 PolarHBondContact O-N 3.19Å |
| 1038 | D | 63.9 | Low | 53 | Low | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.7 | -51.6 | 170.2 | -50.4 | 2 | 0 | 0 | 0 | 110.8 | T1035 K1040 E1041 L1042 L1051 R1079 | T1035-D1038 WeakPolarHBondContact CB-OD1 3.28Å; T1035-D1038 WeakPolarHBondContact CG2-OD1 3.43Å; T1035-D1038 VanDerWaalsContact N-CG 3.34Å; T1035-D1038 PolarHBondContact N-OD2 2.76Å; T1035-D1038 PolarHBondContact OG1-N 3.18Å; T1035-D1038 PolarHBondContact OG1-OD1 3.01Å; D1038-K1040 PolarHBondContact O-N 3.46Å; D1038-E1041 PolarHBondContact O-N 2.78Å; D1038-E1041 VanDerWaalsContact O-N 3.14Å; D1038-L1042 HydrophobicContact CB-CD1 4.44Å; D1038-L1042 WeakPolarHBondContact O-CB 3.36Å; D1038-L1042 WeakPolarHBondContact O-CD1 3.46Å; D1038-L1042 VanDerWaalsContact O-CG 3.29Å; D1038-L1042 WeakPolarHBondContact O-CG 3.3Å; D1038-L1042 PolarHBondContact O-N 2.78Å; D1038-L1051 HydrophobicContact CB-CD1 3.9Å; D1038-R1079 IonicContact OD1-NH1 2.74Å; D1038-R1079 IonicContact OD2-CZ 2.67Å; D1038-R1079 IonicContact OD2-NH1 2.84Å; D1038-R1079 PolarHBondContact OD2-NH1 3.39Å; D1038-R1079 IonicContact OD2-NH2 2.64Å; D1038-R1079 PolarHBondContact OD2-NH2 2.63Å |
| 1039 | K | 66.1 | Low | 54.2 | Low | 40 Ų | 40 | 63.7 Ų | 63.7 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -22.4 | 177.6 | -67.4 | -168 | 174.6 | -168.1 | 0 | 113.2 | T1035 D1037 E1124 W1130 | T1035-K1039 PolarHBondContact O-N 2.83Å; D1037-K1039 PolarHBondContact O-N 3.2Å; K1039-E1124 IonicContact NZ-OE1 3.68Å; K1039-E1124 PolarHBondContact NZ-OE1 3.04Å; K1039-E1124 IonicContact NZ-OE2 2.99Å; K1039-E1124 PolarHBondContact NZ-OE2 2.93Å; K1039-W1130 HydrophobicContact CD-CG 4.37Å; K1039-W1130 VanDerWaalsContact CE-CG 3.44Å; K1039-W1130 HydrophobicContact CG-CD2 4.44Å; K1039-W1130 HydrophobicContact CG-CZ2 4.04Å |
| 1040 | K | 67.9 | Low | 55.3 | Low | 153 Ų | 153 | 61.3 Ų | 61.3 | 67% | 0.665 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -79.4 | -39.2 | 176 | -133.6 | -178.6 | -177.6 | -175 | 0 | 111.1 | K1036 D1037 D1038 K1043 | K1036-K1040 PolarHBondContact O-N 2.71Å; D1037-K1040 CarbonylContact O-C 3.54Å; D1037-K1040 WeakPolarHBondContact O-CA 3.42Å; D1037-K1040 WeakPolarHBondContact O-CB 3.41Å; D1037-K1040 PolarHBondContact O-N 2.81Å; D1038-K1040 PolarHBondContact O-N 3.46Å; K1040-K1043 VanDerWaalsContact O-CB 3.27Å; K1040-K1043 WeakPolarHBondContact O-CB 3.27Å |
| 1041 | E | 65.5 | Low | 56.3 | Low | 97 Ų | 97 | 59.6 Ų | 59.6 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -79.1 | -33.9 | -177.1 | -165 | -173.2 | 167.1 | 0 | 0 | 112.8 | D1037 D1038 K1043 K1049 | D1037-E1041 PolarHBondContact O-N 3.19Å; D1038-E1041 PolarHBondContact O-N 2.78Å; D1038-E1041 VanDerWaalsContact O-N 3.14Å; E1041-K1043 PolarHBondContact O-N 3.23Å; E1041-K1049 WeakPolarHBondContact OE1-CE 3.5Å; E1041-K1049 IonicContact OE1-NZ 2.76Å; E1041-K1049 PolarHBondContact OE1-NZ 3.01Å |
| 1042 | L | 60.1 | Low | 56.7 | Low | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -78.5 | 0.5 | 175.1 | -65.2 | 162 | 0 | 0 | 0 | 113 | D1038 N1044 F1045 K1049 V1081 W1130 | D1038-L1042 HydrophobicContact CB-CD1 4.44Å; D1038-L1042 WeakPolarHBondContact O-CB 3.36Å; D1038-L1042 WeakPolarHBondContact O-CD1 3.46Å; D1038-L1042 VanDerWaalsContact O-CG 3.29Å; D1038-L1042 WeakPolarHBondContact O-CG 3.3Å; D1038-L1042 PolarHBondContact O-N 2.78Å; L1042-N1044 PolarHBondContact O-N 2.75Å; L1042-N1044 VanDerWaalsContact O-N 3.13Å; L1042-F1045 HydrophobicContact CD2-CB 4.5Å; L1042-F1045 HydrophobicContact CD2-CD1 4.03Å; L1042-F1045 HydrophobicContact CD2-CG 4.45Å; L1042-F1045 WeakPolarHBondContact O-CB 3.18Å; L1042-F1045 PolarHBondContact O-N 3.46Å; L1042-K1049 HydrophobicContact CD2-CD 4.25Å; L1042-V1081 HydrophobicContact CD1-CB 4.38Å; L1042-V1081 HydrophobicContact CD1-CG1 3.9Å; L1042-V1081 HydrophobicContact CD1-CG2 3.71Å; L1042-V1081 HydrophobicContact CD2-CB 4.16Å; L1042-V1081 HydrophobicContact CD2-CG1 3.89Å; L1042-V1081 HydrophobicContact CD2-CG2 4.08Å; L1042-V1081 HydrophobicContact CG-CG2 4.49Å; L1042-W1130 HydrophobicContact CD1-CH2 3.6Å; L1042-W1130 HydrophobicContact CD1-CZ2 3.54Å |
| 1043 | K | 55.9 | Low | 56.6 | Low | 109 Ų | 109 | 64.3 Ų | 64.3 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 108.3 | -172.8 | -160.1 | 158.6 | -175.4 | 142.9 | 0 | 111 | K1040 E1041 E1132 | K1040-K1043 VanDerWaalsContact O-CB 3.27Å; K1040-K1043 WeakPolarHBondContact O-CB 3.27Å; E1041-K1043 PolarHBondContact O-N 3.23Å; K1043-E1132 VanDerWaalsContact CE-OE1 3.24Å; K1043-E1132 WeakPolarHBondContact CE-OE1 3.42Å; K1043-E1132 IonicContact NZ-OE1 2.72Å; K1043-E1132 PolarHBondContact NZ-OE1 3.22Å |
| 1044 | N | 50.9 | Low | 55.6 | Low | 132 Ų | 132 | 65.3 Ų | 65.3 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 19.6 | -168.6 | -38.1 | -59.5 | 0 | 0 | 0 | 115 | L1042 | L1042-N1044 PolarHBondContact O-N 2.75Å; L1042-N1044 VanDerWaalsContact O-N 3.13Å |
| 1045 | F | 43.8 | Very low | 54.4 | Low | 33 Ų | 33 | 72.2 Ų | 72.2 | 15% | 0.145 | 36% | 0.358 | C | S | . | . | trans | -70.3 | 165.5 | 162.4 | -172.3 | -113.9 | 0 | 0 | 0 | 110.5 | L1042 T1048 K1049 E1083 V1200 | L1042-F1045 HydrophobicContact CD2-CB 4.5Å; L1042-F1045 HydrophobicContact CD2-CD1 4.03Å; L1042-F1045 HydrophobicContact CD2-CG 4.45Å; L1042-F1045 WeakPolarHBondContact O-CB 3.18Å; L1042-F1045 PolarHBondContact O-N 3.46Å; F1045-T1048 WeakPolarHBondContact CZ-O 3.34Å; F1045-K1049 HydrophobicContact CD1-CB 4.37Å; F1045-K1049 HydrophobicContact CE1-CB 3.59Å; F1045-K1049 HydrophobicContact CE2-CD 4.41Å; F1045-K1049 HydrophobicContact CZ-CB 3.7Å; F1045-K1049 HydrophobicContact CZ-CD 4.38Å; F1045-E1083 WeakPolarHBondContact CD1-OE1 3.43Å; F1045-E1083 VanDerWaalsContact O-OE2 3.07Å; F1045-V1200 HydrophobicContact CD2-CG1 4.17Å; F1045-V1200 HydrophobicContact CE2-CB 4.37Å; F1045-V1200 HydrophobicContact CE2-CG1 3.66Å; F1045-V1200 HydrophobicContact CE2-CG2 3.74Å; F1045-V1200 HydrophobicContact CZ-CG1 4.2Å; F1045-V1200 HydrophobicContact CZ-CG2 4.26Å | ||
| 1046 | T | 46.3 | Very low | 52.8 | Low | 44 Ų | 44 | 80.4 Ų | 80.4 | 27% | 0.27 | 40% | 0.395 | S | S | . | . | trans | -153.6 | 97.8 | 168.1 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | E1083 I1135 V1200 Y1201 | T1046-E1083 VanDerWaalsContact CA-OE2 3.26Å; T1046-E1083 WeakPolarHBondContact CA-OE2 3.39Å; T1046-I1135 HydrophobicContact CG2-CD1 4.33Å; T1046-V1200 VanDerWaalsContact O-CG1 3.29Å; T1046-V1200 WeakPolarHBondContact O-CG1 3.42Å; T1046-Y1201 PolarHBondContact O-N 2.8Å; T1046-Y1201 PolarHBondContact OG1-O 2.72Å | ||
| 1047 | G | 43.3 | Very low | 51.1 | Low | 20 Ų | 20 | 76 Ų | 76 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 158.2 | -148.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1083 | G1047-E1083 PolarHBondContact O-N 2.72Š|
| 1048 | T | 43.8 | Very low | 49.4 | Very low | 45 Ų | 45 | 79 Ų | 79 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.2 | 168.2 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | F1045 V1081 V1082 | F1045-T1048 WeakPolarHBondContact CZ-O 3.34Å; T1048-V1081 CarbonylContact C-O 3.44Å; T1048-V1081 VanDerWaalsContact CA-O 3.3Å; T1048-V1081 WeakPolarHBondContact CA-O 3.38Å; T1048-V1082 HydrophobicContact CG2-CB 4.49Å; T1048-V1082 HydrophobicContact CG2-CG1 4.14Å; T1048-V1082 HydrophobicContact CG2-CG2 4.17Å |
| 1049 | K | 49.6 | Very low | 48.2 | Very low | 52 Ų | 52 | 83.7 Ų | 83.7 | 23% | 0.226 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 132.8 | 178.2 | 175.9 | 164.4 | 177.4 | 172.9 | 0 | 111.6 | E1041 L1042 F1045 V1081 | E1041-K1049 WeakPolarHBondContact OE1-CE 3.5Å; E1041-K1049 IonicContact OE1-NZ 2.76Å; E1041-K1049 PolarHBondContact OE1-NZ 3.01Å; L1042-K1049 HydrophobicContact CD2-CD 4.25Å; F1045-K1049 HydrophobicContact CD1-CB 4.37Å; F1045-K1049 HydrophobicContact CE1-CB 3.59Å; F1045-K1049 HydrophobicContact CE2-CD 4.41Å; F1045-K1049 HydrophobicContact CZ-CB 3.7Å; F1045-K1049 HydrophobicContact CZ-CD 4.38Å; K1049-V1081 PolarHBondContact N-O 2.76Å; K1049-V1081 PolarHBondContact O-N 3.33Å |
| 1050 | V | 55.3 | Low | 46.8 | Very low | 32 Ų | 32 | 90.1 Ų | 90.1 | 19% | 0.194 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.1 | 163.4 | -172.3 | 0 | 0 | 0 | 0 | 108 | K1078 R1080 L1168 | V1050-K1078 HydrophobicContact CG1-CB 4.22Å; V1050-K1078 HydrophobicContact CG1-CD 4.47Å; V1050-R1080 HydrophobicContact CG2-CG 4.3Å; V1050-L1168 HydrophobicContact CG2-CD2 4.08Å; V1050-L1168 HydrophobicContact CG2-CG 4.1Å; V1050-L1168 WeakPolarHBondContact CG2-O 3.34Å |
| 1051 | L | 55.1 | Low | 45 | Very low | 4 Ų | 4 | 86.6 Ų | 86.6 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 112.5 | 164 | -64.2 | 173.2 | 0 | 0 | 0 | 107.3 | D1038 T1053 R1079 V1081 I1139 | D1038-L1051 HydrophobicContact CB-CD1 3.9Å; L1051-T1053 PolarHBondContact O-N 3.15Å; L1051-R1079 HydrophobicContact CB-CB 4.26Å; L1051-R1079 PolarHBondContact N-O 2.98Å; L1051-V1081 HydrophobicContact CD1-CG2 3.45Å; L1051-V1081 VanDerWaalsContact CD1-CG2 3.45Å; L1051-V1081 HydrophobicContact CD2-CG2 4.21Å; L1051-V1081 HydrophobicContact CG-CG2 3.58Å; L1051-I1139 HydrophobicContact CD1-CD1 3.85Å; L1051-I1139 HydrophobicContact CD1-CG1 4.39Å |
| 1052 | T | 51.3 | Low | 43.4 | Very low | 98 Ų | 98 | 89.5 Ų | 89.5 | 60% | 0.601 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -65 | 133.3 | 171.4 | 41.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1053 | T | 46.1 | Very low | 42.2 | Very low | 65 Ų | 65 | 95.6 Ų | 95.6 | 40% | 0.399 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 135.9 | 167.5 | 39.6 | 0 | 0 | 0 | 0 | 108.1 | L1051 E1055 | L1051-T1053 PolarHBondContact O-N 3.15Å; T1053-E1055 PolarHBondContact O-N 3.19Å |
| 1054 | Y | 39.4 | Very low | 41.2 | Very low | 126 Ų | 126 | 96.7 Ų | 96.7 | 49% | 0.494 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 124.5 | -168.7 | -93.2 | -91.2 | 0 | 0 | 0 | 111.6 | ||
| 1055 | E | 36.9 | Very low | 40.7 | Very low | 168 Ų | 168 | 92.7 Ų | 92.7 | 79% | 0.785 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 153.8 | -177.8 | -66.7 | -170.3 | 124.8 | 0 | 0 | 113.4 | T1053 T1057 | T1053-E1055 PolarHBondContact O-N 3.19Å; E1055-T1057 VanDerWaalsContact C-N 3.33Å; E1055-T1057 PolarHBondContact O-N 2.86Å; E1055-T1057 PolarHBondContact O-OG1 3.07Å |
| 1056 | Q | 33.2 | Very low | 40.5 | Very low | 192 Ų | 192 | 94.1 Ų | 94.1 | 90% | 0.897 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -61.8 | 78.2 | -158.9 | -62 | 177.3 | -4.5 | 0 | 0 | 114.3 | ||
| 1057 | T | 31.6 | Very low | 40.5 | Very low | 94 Ų | 94 | 96 Ų | 96 | 58% | 0.577 | 49% | 0.489 | S | S | * | . | trans | -121.8 | 96.7 | 179.4 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | E1055 | E1055-T1057 VanDerWaalsContact C-N 3.33Å; E1055-T1057 PolarHBondContact O-N 2.86Å; E1055-T1057 PolarHBondContact O-OG1 3.07Å | ||
| 1058 | N | 32.3 | Very low | 41 | Very low | 144 Ų | 144 | 97.5 Ų | 97.5 | 77% | 0.77 | 49% | 0.489 | S | S | * | . | trans | 69.1 | 122.7 | -178.4 | -59.8 | -42.6 | 0 | 0 | 0 | 116.4 | Q1060 K1061 | N1058-Q1060 PolarHBondContact O-N 3.38Å; N1058-K1061 PolarHBondContact O-N 3.36Å | ||
| 1059 | S | 37.5 | Very low | 41.2 | Very low | 107 Ų | 107 | 96 Ų | 96 | 75% | 0.748 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20.6 | -176.3 | 51.7 | 0 | 0 | 0 | 0 | 115.5 | K1061 Y1062 | S1059-K1061 PolarHBondContact O-N 3.24Å; S1059-Y1062 WeakPolarHBondContact O-CB 3.27Å; S1059-Y1062 PolarHBondContact O-N 3.34Å |
| 1060 | Q | 36.2 | Very low | 41 | Very low | 175 Ų | 175 | 95.4 Ų | 95.4 | 82% | 0.818 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.3 | 174.7 | -68.2 | -175.3 | -11.9 | 0 | 0 | 113.7 | N1058 | N1058-Q1060 PolarHBondContact O-N 3.38Š|
| 1061 | K | 30.8 | Very low | 40.5 | Very low | 79 Ų | 79 | 99.3 Ų | 99.3 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -80.5 | -28.8 | 174.8 | -153.5 | -179.9 | -179.3 | -172 | 0 | 112.7 | N1058 S1059 L1063 K1064 | N1058-K1061 PolarHBondContact O-N 3.36Å; S1059-K1061 PolarHBondContact O-N 3.24Å; K1061-L1063 PolarHBondContact O-N 3.14Å; K1061-L1063 VanDerWaalsContact O-N 3.09Å; K1061-K1064 WeakPolarHBondContact O-CB 3.5Å; K1061-K1064 PolarHBondContact O-N 3.06Å |
| 1062 | Y | 31.4 | Very low | 39.9 | Very low | 158 Ų | 158 | 101.8 Ų | 101.8 | 62% | 0.62 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -52.3 | -34.2 | -179.6 | -140.1 | -86.2 | 0 | 0 | 0 | 113.6 | S1059 K1064 D1065 L1066 | S1059-Y1062 WeakPolarHBondContact O-CB 3.27Å; S1059-Y1062 PolarHBondContact O-N 3.34Å; Y1062-K1064 PolarHBondContact O-N 3.12Å; Y1062-D1065 PolarHBondContact O-N 3.13Å; Y1062-L1066 HydrophobicContact CD1-CD1 4.02Å; Y1062-L1066 HydrophobicContact CE1-CD1 4.26Å; Y1062-L1066 PolarHBondContact O-N 2.96Å |
| 1063 | L | 35 | Very low | 39.4 | Very low | 130 Ų | 130 | 103.9 Ų | 103.9 | 68% | 0.681 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.6 | -11.3 | 175.9 | -90.6 | 158 | 0 | 0 | 0 | 114.6 | K1061 N1067 | K1061-L1063 PolarHBondContact O-N 3.14Å; K1061-L1063 VanDerWaalsContact O-N 3.09Å; L1063-N1067 PolarHBondContact O-ND2 3.41Å |
| 1064 | K | 36 | Very low | 39 | Very low | 133 Ų | 133 | 108.4 Ų | 108.4 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -90.4 | -42.2 | 170.7 | -74.7 | -176.7 | 174.3 | 175.2 | 0 | 111.9 | K1061 Y1062 L1066 N1067 | K1061-K1064 WeakPolarHBondContact O-CB 3.5Å; K1061-K1064 PolarHBondContact O-N 3.06Å; Y1062-K1064 PolarHBondContact O-N 3.12Å; K1064-L1066 VanDerWaalsContact C-N 3.25Å; K1064-L1066 PolarHBondContact O-N 2.69Å; K1064-N1067 WeakPolarHBondContact O-CB 3.33Å; K1064-N1067 PolarHBondContact O-N 3.47Å |
| 1065 | D | 39.8 | Very low | 38.9 | Very low | 48 Ų | 48 | 105.2 Ų | 105.2 | 26% | 0.257 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -35.2 | 179.3 | -63.8 | -73.8 | 0 | 0 | 0 | 112.5 | Y1062 N1067 Y1068 | Y1062-D1065 PolarHBondContact O-N 3.13Å; D1065-N1067 PolarHBondContact O-N 2.03Å; D1065-Y1068 HydrophobicContact CB-CD2 4.4Å; D1065-Y1068 HydrophobicContact CB-CE2 4.46Å; D1065-Y1068 PolarHBondContact O-N 3.29Å; D1065-Y1068 VanDerWaalsContact O-N 3.09Å; D1065-Y1068 WeakPolarHBondContact OD1-CE2 3.36Å |
| 1066 | L | 38.8 | Very low | 39.1 | Very low | 62 Ų | 62 | 102.6 Ų | 102.6 | 33% | 0.325 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -11.5 | 172.2 | -110.8 | 81.3 | 0 | 0 | 0 | 116 | Y1062 K1064 R1073 | Y1062-L1066 HydrophobicContact CD1-CD1 4.02Å; Y1062-L1066 HydrophobicContact CE1-CD1 4.26Å; Y1062-L1066 PolarHBondContact O-N 2.96Å; K1064-L1066 VanDerWaalsContact C-N 3.25Å; K1064-L1066 PolarHBondContact O-N 2.69Å; L1066-R1073 HydrophobicContact CD2-CG 4.48Å; L1066-R1073 HydrophobicContact CG-CB 4.46Å; L1066-R1073 HydrophobicContact CG-CG 4.28Å |
| 1067 | N | 47 | Very low | 39.5 | Very low | 83 Ų | 83 | 94.3 Ų | 94.3 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -7.6 | 179.4 | -70.2 | -66.9 | 0 | 0 | 0 | 114 | L1063 K1064 D1065 | L1063-N1067 PolarHBondContact O-ND2 3.41Å; K1064-N1067 WeakPolarHBondContact O-CB 3.33Å; K1064-N1067 PolarHBondContact O-N 3.47Å; D1065-N1067 PolarHBondContact O-N 2.03Å |
| 1068 | Y | 54.4 | Low | 40.3 | Very low | 53 Ų | 53 | 92.8 Ų | 92.8 | 21% | 0.208 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -28.6 | -172.8 | -56.5 | -38.2 | 0 | 0 | 0 | 114.5 | G1032 W1033 T1035 D1065 | G1032-Y1068 CarbonylContact C-O 3.58Å; G1032-Y1068 WeakPolarHBondContact CA-O 3.44Å; W1033-Y1068 HydrophobicContact CB-CD1 4.46Å; W1033-Y1068 PolarHBondContact N-O 2.79Å; T1035-Y1068 HydrophobicContact CG2-CD1 4.04Å; T1035-Y1068 HydrophobicContact CG2-CD2 4.43Å; T1035-Y1068 HydrophobicContact CG2-CE1 3.55Å; T1035-Y1068 HydrophobicContact CG2-CE2 3.99Å; T1035-Y1068 HydrophobicContact CG2-CG 4.48Å; D1065-Y1068 HydrophobicContact CB-CD2 4.4Å; D1065-Y1068 HydrophobicContact CB-CE2 4.46Å; D1065-Y1068 PolarHBondContact O-N 3.29Å; D1065-Y1068 VanDerWaalsContact O-N 3.09Å; D1065-Y1068 WeakPolarHBondContact OD1-CE2 3.36Å |
| 1069 | C | 47.9 | Very low | 41.3 | Very low | 12 Ų | 12 | 86.4 Ų | 86.4 | 8% | 0.081 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -131.3 | 70 | 172.2 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | Q1071 F1072 L1077 C1141 | C1069-Q1071 VanDerWaalsContact C-N 3.29Å; C1069-Q1071 PolarHBondContact O-N 3.05Å; C1069-F1072 PolarHBondContact O-N 3.08Å; C1069-L1077 HydrophobicContact CB-CD1 3.45Å; C1069-L1077 VanDerWaalsContact CB-CD1 3.45Å; C1069-C1141 HydrophobicContact CB-CB 4.01Å; C1069-C1141 WeakPolarHBondContact CB-SG 2.95Å; C1069-C1141 WeakPolarHBondContact SG-CB 3.47Å; C1069-C1141 CovalentContact SG-SG 2.05Å; C1069-C1141 PolarHBondContact SG-SG 2.93Å |
| 1070 | P | 45 | Very low | 41.8 | Very low | 41 Ų | 41 | 83.2 Ų | 83.2 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -10.4 | -155.4 | 26.2 | -36.3 | 0 | 0 | 0 | 117 | ||
| 1071 | Q | 44.6 | Very low | 42.8 | Very low | 114 Ų | 114 | 74.9 Ų | 74.9 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -7.7 | 172.5 | -65.1 | -167.6 | -90.9 | 0 | 0 | 113.6 | C1069 | C1069-Q1071 VanDerWaalsContact C-N 3.29Å; C1069-Q1071 PolarHBondContact O-N 3.05Å |
| 1072 | F | 42.7 | Very low | 43.5 | Very low | 55 Ų | 55 | 72 Ų | 72 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | trans | -128.2 | 45.2 | -169.7 | -60.7 | -69.8 | 0 | 0 | 0 | 110.7 | V1029 C1069 D1074 T1075 L1077 | V1029-F1072 HydrophobicContact CG1-CE2 3.88Å; V1029-F1072 HydrophobicContact CG1-CZ 3.9Å; C1069-F1072 PolarHBondContact O-N 3.08Å; F1072-D1074 PolarHBondContact O-N 3.4Å; F1072-T1075 PolarHBondContact O-N 2.87Å; F1072-L1077 HydrophobicContact CB-CD1 3.32Å; F1072-L1077 HydrophobicContact CB-CG 4.34Å; F1072-L1077 HydrophobicContact CD2-CD1 4.07Å; F1072-L1077 HydrophobicContact CG-CD1 3.94Å | ||
| 1073 | R | 40.2 | Very low | 44.1 | Very low | 142 Ų | 142 | 65.4 Ų | 65.4 | 54% | 0.536 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.1 | -171.9 | -74.3 | 179.3 | 171.4 | 157.3 | -1.1 | 114.3 | L1066 | L1066-R1073 HydrophobicContact CD2-CG 4.48Å; L1066-R1073 HydrophobicContact CG-CB 4.46Å; L1066-R1073 HydrophobicContact CG-CG 4.28Å |
| 1074 | D | 38.5 | Very low | 44.5 | Very low | 161 Ų | 161 | 60.2 Ų | 60.2 | 86% | 0.861 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 5.7 | -168.6 | -46.8 | -57 | 0 | 0 | 0 | 112.4 | F1072 | F1072-D1074 PolarHBondContact O-N 3.4Š|
| 1075 | T | 38 | Very low | 44.7 | Very low | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.362 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -121.7 | 140.4 | -178.9 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | F1072 L1077 Y1143 | F1072-T1075 PolarHBondContact O-N 2.87Å; T1075-L1077 PolarHBondContact O-N 2.05Å; T1075-Y1143 HydrophobicContact CG2-CE1 4.03Å |
| 1076 | Q | 40.2 | Very low | 44.7 | Very low | 113 Ų | 113 | 57 Ų | 57 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | trans | -64.8 | 122.9 | 172.5 | -79.4 | -77.9 | -34.3 | 0 | 0 | 109.3 | G1144 | Q1076-G1144 PolarHBondContact O-N 2.83Š| ||
| 1077 | L | 42.5 | Very low | 44.5 | Very low | 17 Ų | 17 | 58.2 Ų | 58.2 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.1 | -178.6 | -72.7 | 170.7 | 0 | 0 | 0 | 111.3 | C1069 F1072 T1075 C1141 E1142 Y1143 | C1069-L1077 HydrophobicContact CB-CD1 3.45Å; C1069-L1077 VanDerWaalsContact CB-CD1 3.45Å; F1072-L1077 HydrophobicContact CB-CD1 3.32Å; F1072-L1077 HydrophobicContact CB-CG 4.34Å; F1072-L1077 HydrophobicContact CD2-CD1 4.07Å; F1072-L1077 HydrophobicContact CG-CD1 3.94Å; T1075-L1077 PolarHBondContact O-N 2.05Å; L1077-C1141 HydrophobicContact CB-CB 4.5Å; L1077-C1141 HydrophobicContact CD1-CB 3.91Å; L1077-C1141 HydrophobicContact CD2-CB 4.24Å; L1077-C1141 HydrophobicContact CG-CB 4.47Å; L1077-E1142 CarbonylContact C-O 3.55Å; L1077-E1142 WeakPolarHBondContact CA-O 3.35Å; L1077-E1142 VanDerWaalsContact CD2-C 3.46Å; L1077-E1142 VanDerWaalsContact CD2-O 3.29Å; L1077-E1142 WeakPolarHBondContact CD2-O 3.4Å; L1077-Y1143 HydrophobicContact CD2-CG 4.42Å |
| 1078 | K | 47.7 | Very low | 44 | Very low | 62 Ų | 62 | 56.9 Ų | 56.9 | 27% | 0.27 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 132.8 | 164.9 | -66.2 | -166.1 | 177 | -170.2 | 0 | 108.7 | V1050 E1142 N1169 | V1050-K1078 HydrophobicContact CG1-CB 4.22Å; V1050-K1078 HydrophobicContact CG1-CD 4.47Å; K1078-E1142 PolarHBondContact N-O 2.99Å; K1078-E1142 PolarHBondContact O-N 2.83Å; K1078-N1169 PolarHBondContact NZ-O 2.99Å; K1078-N1169 PolarHBondContact NZ-OD1 3.18Å |
| 1079 | R | 53.9 | Low | 42.9 | Very low | 11 Ų | 11 | 60.9 Ų | 60.9 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 107.1 | 178.3 | -68.9 | 172 | 68 | -119.4 | 2.2 | 108.6 | W1033 D1038 L1051 Y1140 | W1033-R1079 PolarHBondContact O-NH2 2.78Å; D1038-R1079 IonicContact OD1-NH1 2.74Å; D1038-R1079 IonicContact OD2-CZ 2.67Å; D1038-R1079 IonicContact OD2-NH1 2.84Å; D1038-R1079 PolarHBondContact OD2-NH1 3.39Å; D1038-R1079 IonicContact OD2-NH2 2.64Å; D1038-R1079 PolarHBondContact OD2-NH2 2.63Å; L1051-R1079 HydrophobicContact CB-CB 4.26Å; L1051-R1079 PolarHBondContact N-O 2.98Å; R1079-Y1140 CarbonylContact C-O 3.57Å; R1079-Y1140 WeakPolarHBondContact CA-O 3.26Å |
| 1080 | R | 48 | Very low | 42.2 | Very low | 40 Ų | 40 | 67.9 Ų | 67.9 | 15% | 0.151 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.5 | 177.6 | -65.8 | -166.2 | -175 | -170.3 | 5.1 | 110.7 | V1050 I1139 Y1140 E1142 L1168 | V1050-R1080 HydrophobicContact CG2-CG 4.3Å; R1080-I1139 CarbonylContact O-C 3.58Å; R1080-I1139 VanDerWaalsContact O-CA 3.24Å; R1080-I1139 WeakPolarHBondContact O-CA 3.49Å; R1080-Y1140 HydrophobicContact CB-CD1 4.38Å; R1080-Y1140 HydrophobicContact CB-CD2 4.09Å; R1080-Y1140 HydrophobicContact CB-CE1 4.02Å; R1080-Y1140 HydrophobicContact CB-CE2 3.68Å; R1080-Y1140 HydrophobicContact CB-CG 4.42Å; R1080-Y1140 WeakPolarHBondContact CD-OH 3.4Å; R1080-Y1140 HydrophobicContact CG-CE2 3.98Å; R1080-Y1140 PolarHBondContact N-O 3.33Å; R1080-Y1140 PolarHBondContact O-N 2.7Å; R1080-E1142 VanDerWaalsContact CZ-CD 3.45Å; R1080-E1142 IonicContact CZ-OE1 2.74Å; R1080-E1142 IonicContact CZ-OE2 2.91Å; R1080-E1142 VanDerWaalsContact NE-CD 3.28Å; R1080-E1142 IonicContact NE-OE1 2.7Å; R1080-E1142 PolarHBondContact NE-OE1 3.22Å; R1080-E1142 IonicContact NE-OE2 2.7Å; R1080-E1142 PolarHBondContact NE-OE2 2.87Å; R1080-E1142 IonicContact NH1-OE1 2.82Å; R1080-E1142 IonicContact NH2-OE1 3.17Å; R1080-E1142 PolarHBondContact NH2-OE1 3.16Å; R1080-E1142 IonicContact NH2-OE2 3.2Å; R1080-E1142 PolarHBondContact NH2-OE2 2.95Å; R1080-L1168 VanDerWaalsContact CZ-CD2 3.4Å; R1080-L1168 VanDerWaalsContact NH1-CD2 3.29Å |
| 1081 | V | 56.3 | Low | 41.6 | Very low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 137.4 | 167.8 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | L1042 T1048 K1049 L1051 H1137 V1138 I1139 | L1042-V1081 HydrophobicContact CD1-CB 4.38Å; L1042-V1081 HydrophobicContact CD1-CG1 3.9Å; L1042-V1081 HydrophobicContact CD1-CG2 3.71Å; L1042-V1081 HydrophobicContact CD2-CB 4.16Å; L1042-V1081 HydrophobicContact CD2-CG1 3.89Å; L1042-V1081 HydrophobicContact CD2-CG2 4.08Å; L1042-V1081 HydrophobicContact CG-CG2 4.49Å; T1048-V1081 CarbonylContact C-O 3.44Å; T1048-V1081 VanDerWaalsContact CA-O 3.3Å; T1048-V1081 WeakPolarHBondContact CA-O 3.38Å; K1049-V1081 PolarHBondContact N-O 2.76Å; K1049-V1081 PolarHBondContact O-N 3.33Å; L1051-V1081 HydrophobicContact CD1-CG2 3.45Å; L1051-V1081 VanDerWaalsContact CD1-CG2 3.45Å; L1051-V1081 HydrophobicContact CD2-CG2 4.21Å; L1051-V1081 HydrophobicContact CG-CG2 3.58Å; V1081-H1137 HydrophobicContact CG1-CB 4.29Å; V1081-V1138 CarbonylContact C-O 3.55Å; V1081-V1138 WeakPolarHBondContact CA-O 3.4Å; V1081-I1139 HydrophobicContact CB-CG1 4.45Å; V1081-I1139 HydrophobicContact CG2-CD1 4.2Å; V1081-I1139 HydrophobicContact CG2-CG1 3.62Å |
| 1082 | V | 45 | Very low | 41 | Very low | 19 Ų | 19 | 67.4 Ų | 67.4 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.8 | 167.1 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | P937 T1048 H1137 V1138 Y1140 | P937-V1082 HydrophobicContact CB-CG1 4.12Å; P937-V1082 HydrophobicContact CG-CG1 4.07Å; T1048-V1082 HydrophobicContact CG2-CB 4.49Å; T1048-V1082 HydrophobicContact CG2-CG1 4.14Å; T1048-V1082 HydrophobicContact CG2-CG2 4.17Å; V1082-H1137 WeakPolarHBondContact O-CA 3.5Å; V1082-V1138 PolarHBondContact N-O 3.09Å; V1082-V1138 PolarHBondContact O-N 3.42Å; V1082-Y1140 HydrophobicContact CG2-CD1 4.36Å; V1082-Y1140 HydrophobicContact CG2-CE1 3.61Å |
| 1083 | E | 44.7 | Very low | 40.4 | Very low | 18 Ų | 18 | 71.4 Ų | 71.4 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 148.9 | 172.9 | -65.9 | -169.2 | -177.3 | 0 | 0 | 113.5 | F1045 T1046 G1047 I1135 V1136 H1137 | F1045-E1083 WeakPolarHBondContact CD1-OE1 3.43Å; F1045-E1083 VanDerWaalsContact O-OE2 3.07Å; T1046-E1083 VanDerWaalsContact CA-OE2 3.26Å; T1046-E1083 WeakPolarHBondContact CA-OE2 3.39Å; G1047-E1083 PolarHBondContact O-N 2.72Å; E1083-I1135 HydrophobicContact CB-CG2 4.01Å; E1083-I1135 HydrophobicContact CG-CG2 4.14Å; E1083-V1136 CarbonylContact C-O 3.51Å; E1083-V1136 WeakPolarHBondContact CA-O 3.05Å; E1083-H1137 WeakPolarHBondContact CG-ND1 3.2Å; E1083-H1137 IonicContact OE1-CE1 2.72Å; E1083-H1137 PolarHBondContact OE1-CE1 2.89Å; E1083-H1137 IonicContact OE1-ND1 2.71Å; E1083-H1137 PolarHBondContact OE1-ND1 2.99Å |
| 1084 | S | 42.9 | Very low | 39.9 | Very low | 22 Ų | 22 | 69 Ų | 69 | 15% | 0.154 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155.8 | 162.9 | -116.5 | 0 | 0 | 0 | 0 | 113.6 | P937 W939 V1136 | P937-S1084 PolarHBondContact O-OG 3.14Å; W939-S1084 PolarHBondContact N-OG 3.48Å; W939-S1084 PolarHBondContact O-OG 3.43Å; S1084-V1136 PolarHBondContact N-O 2.7Å; S1084-V1136 PolarHBondContact O-N 3.3Å |
| 1085 | M | 39.7 | Very low | 39.6 | Very low | 73 Ų | 73 | 63.3 Ų | 63.3 | 36% | 0.36 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.8 | -167.3 | -178.6 | 178 | 178.3 | 0 | 0 | 111.2 | I1087 | M1085-I1087 HydrophobicContact CG-CG1 4.44Å |
| 1086 | Y | 40.4 | Very low | 39.1 | Very low | 39 Ų | 39 | 67.6 Ų | 67.6 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | trans | -74.8 | 138.6 | 168.8 | 175.2 | -118.8 | 0 | 0 | 0 | 110 | I943 P1088 D1134 | I943-Y1086 VanDerWaalsContact CD1-OH 3.28Å; I943-Y1086 WeakPolarHBondContact CD1-OH 3.37Å; I943-Y1086 HydrophobicContact CG1-CE2 4.49Å; I943-Y1086 WeakPolarHBondContact CG1-OH 3.43Å; Y1086-P1088 HydrophobicContact CD1-CG 4.08Å; Y1086-P1088 HydrophobicContact CE1-CB 4.41Å; Y1086-P1088 HydrophobicContact CE1-CG 3.76Å; Y1086-D1134 WeakPolarHBondContact CB-O 3.2Å; Y1086-D1134 HydrophobicContact CD1-CB 4.18Å; Y1086-D1134 PolarHBondContact N-O 3.46Å; Y1086-D1134 VanDerWaalsContact N-O 3.15Å | ||
| 1087 | I | 34.6 | Very low | 38.8 | Very low | 89 Ų | 89 | 69.2 Ų | 69.2 | 46% | 0.456 | 36% | 0.364 | S | S | . | . | trans | -122.9 | 101 | 178.2 | -57.2 | 178.9 | 0 | 0 | 0 | 107.5 | T940 M1085 | T940-I1087 HydrophobicContact CG2-CD1 4.01Å; M1085-I1087 HydrophobicContact CG-CG1 4.44Å | ||
| 1088 | P | 36.1 | Very low | 38.4 | Very low | 54 Ų | 54 | 76.7 Ų | 76.7 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | trans | -58.8 | 145.1 | 169.4 | -19.3 | 30.4 | 0 | 0 | 0 | 110.6 | Y1086 | Y1086-P1088 HydrophobicContact CD1-CG 4.08Å; Y1086-P1088 HydrophobicContact CE1-CB 4.41Å; Y1086-P1088 HydrophobicContact CE1-CG 3.76Å | ||
| 1089 | E | 31.9 | Very low | 37.5 | Very low | 137 Ų | 137 | 79.6 Ų | 79.6 | 64% | 0.64 | 42% | 0.417 | S | S | * | . | trans | -59.4 | 155.1 | -179.6 | -65.2 | -170.2 | 130.4 | 0 | 0 | 112.8 | V1091 | E1089-V1091 PolarHBondContact O-N 3.16Š| ||
| 1090 | N | 32.6 | Very low | 36.4 | Very low | 159 Ų | 159 | 87.5 Ų | 87.5 | 85% | 0.85 | 45% | 0.452 | S | S | * | . | trans | -72.2 | 62.1 | 175.3 | -83.2 | -31.3 | 0 | 0 | 0 | 111.9 | S1092 | N1090-S1092 PolarHBondContact O-N 3.03Š| ||
| 1091 | V | 32.2 | Very low | 35.6 | Very low | 75 Ų | 75 | 94.6 Ų | 94.6 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | trans | -59.9 | 120.8 | 164.8 | -143.6 | 0 | 0 | 0 | 0 | 107.2 | E1089 S1095 | E1089-V1091 PolarHBondContact O-N 3.16Å; V1091-S1095 VanDerWaalsContact CG1-OG 3.26Å; V1091-S1095 WeakPolarHBondContact CG1-OG 3.33Å | ||
| 1092 | S | 32.6 | Very low | 34.3 | Very low | 71 Ų | 71 | 99.7 Ų | 99.7 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | trans | -54.7 | 146.4 | -166 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | N1090 S1094 S1095 | N1090-S1092 PolarHBondContact O-N 3.03Å; S1092-S1094 PolarHBondContact O-N 2.97Å; S1092-S1094 PolarHBondContact OG-OG 3.13Å; S1092-S1095 WeakPolarHBondContact O-CB 3.32Å; S1092-S1095 PolarHBondContact O-N 2.94Å; S1092-S1095 PolarHBondContact O-OG 3.31Å | ||
| 1093 | L | 29.6 | Very low | 33.5 | Very low | 139 Ų | 139 | 104.4 Ų | 104.4 | 73% | 0.728 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.2 | -167.4 | -153.2 | 76.2 | 0 | 0 | 0 | 113.5 | ||
| 1094 | S | 31.4 | Very low | 32.9 | Very low | 92 Ų | 92 | 106.6 Ų | 106.6 | 64% | 0.643 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -35.7 | 172.9 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | S1092 | S1092-S1094 PolarHBondContact O-N 2.97Å; S1092-S1094 PolarHBondContact OG-OG 3.13Å |
| 1095 | S | 31.6 | Very low | 32.4 | Very low | 40 Ų | 40 | 113 Ų | 113 | 28% | 0.28 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -71.3 | -31 | -178.3 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | V1091 S1092 L1097 Q1098 | V1091-S1095 VanDerWaalsContact CG1-OG 3.26Å; V1091-S1095 WeakPolarHBondContact CG1-OG 3.33Å; S1092-S1095 WeakPolarHBondContact O-CB 3.32Å; S1092-S1095 PolarHBondContact O-N 2.94Å; S1092-S1095 PolarHBondContact O-OG 3.31Å; S1095-L1097 PolarHBondContact O-N 3.19Å; S1095-L1097 VanDerWaalsContact O-N 3.11Å; S1095-Q1098 PolarHBondContact O-N 3.29Å |
| 1096 | R | 27.9 | Very low | 32.1 | Very low | 150 Ų | 150 | 115.7 Ų | 115.7 | 57% | 0.566 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -59.6 | -25.8 | -176.4 | -68.4 | -169.4 | -178.7 | -165 | -0.1 | 113.6 | ||
| 1097 | L | 32.9 | Very low | 32 | Very low | 147 Ų | 147 | 120 Ų | 120 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -81 | -26.4 | -176.3 | -81.1 | 166 | 0 | 0 | 0 | 114 | S1095 | S1095-L1097 PolarHBondContact O-N 3.19Å; S1095-L1097 VanDerWaalsContact O-N 3.11Å |
| 1098 | Q | 34.2 | Very low | 32.8 | Very low | 173 Ų | 173 | 120.8 Ų | 120.8 | 81% | 0.808 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -39.4 | -172.6 | -70.3 | -173.1 | -20.4 | 0 | 0 | 113.9 | S1095 | S1095-Q1098 PolarHBondContact O-N 3.29Š|
| 1099 | N | 29.6 | Very low | 33.1 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 66% | 0.658 | 61% | 0.606 | S | S | * | * | trans | -109.8 | 58 | -171.9 | -79.1 | -28 | 0 | 0 | 0 | 114.7 | Q1101 | N1099-Q1101 PolarHBondContact O-N 3.49Š| ||
| 1100 | K | 29.2 | Very low | 33.7 | Very low | 178 Ų | 178 | 113.9 Ų | 113.9 | 77% | 0.774 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -23.2 | 174.8 | -87.7 | -174.5 | 174.9 | 178.4 | 0 | 114.9 | ||
| 1101 | Q | 32.1 | Very low | 34.5 | Very low | 189 Ų | 189 | 111.2 Ų | 111.2 | 88% | 0.883 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -28.9 | -173.6 | -75 | -177.5 | -24.9 | 0 | 0 | 114.5 | N1099 F1103 | N1099-Q1101 PolarHBondContact O-N 3.49Å; Q1101-F1103 PolarHBondContact O-N 2.91Å |
| 1102 | L | 29.7 | Very low | 34.9 | Very low | 107 Ų | 107 | 109.3 Ų | 109.3 | 56% | 0.56 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -73.8 | -27.3 | -174.7 | -124.1 | 74.7 | 0 | 0 | 0 | 113.7 | G1104 Q1105 Y1106 | L1102-G1104 PolarHBondContact O-N 2.98Å; L1102-G1104 VanDerWaalsContact O-N 3.09Å; L1102-Q1105 PolarHBondContact O-N 2.71Å; L1102-Y1106 WeakPolarHBondContact O-CD2 3.33Å |
| 1103 | F | 27.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 106.8 Ų | 106.8 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -66.7 | -9.3 | -179.4 | -87.7 | -83.6 | 0 | 0 | 0 | 114.6 | Q1101 | Q1101-F1103 PolarHBondContact O-N 2.91Š|
| 1104 | G | 33 | Very low | 35.8 | Very low | 63 Ų | 63 | 104.1 Ų | 104.1 | 65% | 0.649 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -68.8 | -27.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1102 | L1102-G1104 PolarHBondContact O-N 2.98Å; L1102-G1104 VanDerWaalsContact O-N 3.09Å |
| 1105 | Q | 31.7 | Very low | 36 | Very low | 156 Ų | 156 | 101 Ų | 101 | 73% | 0.729 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -25.2 | -173.5 | -72.4 | -176.4 | -27.1 | 0 | 0 | 114.3 | L1102 K1107 | L1102-Q1105 PolarHBondContact O-N 2.71Å; Q1105-K1107 PolarHBondContact O-N 2.85Å |
| 1106 | Y | 34.2 | Very low | 36.4 | Very low | 130 Ų | 130 | 104.3 Ų | 104.3 | 51% | 0.51 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 7.7 | -173 | -67.6 | -79.2 | 0 | 0 | 0 | 115.3 | I943 L1102 | I943-Y1106 HydrophobicContact CD1-CD1 3.64Å; I943-Y1106 HydrophobicContact CD1-CE1 4.09Å; L1102-Y1106 WeakPolarHBondContact O-CD2 3.33Å |
| 1107 | K | 37.5 | Very low | 37.3 | Very low | 131 Ų | 131 | 106.2 Ų | 106.2 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 0.4 | -173.8 | -75.7 | -158.4 | 165.2 | -160.3 | 0 | 116.1 | Q1105 | Q1105-K1107 PolarHBondContact O-N 2.85Š|
| 1108 | N | 50.2 | Low | 37.6 | Very low | 105 Ų | 105 | 99.9 Ų | 99.9 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | trans | -101.5 | 117.2 | -178.3 | -97.2 | -44 | 0 | 0 | 0 | 112.4 | H1110 T1111 | N1108-H1110 PolarHBondContact O-N 3.48Å; N1108-H1110 VanDerWaalsContact O-N 3.16Å; N1108-T1111 PolarHBondContact O-N 3.04Å; N1108-T1111 VanDerWaalsContact O-N 3.13Å; N1108-T1111 PolarHBondContact O-OG1 2.82Å | ||
| 1109 | L | 44.3 | Very low | 38.5 | Very low | 13 Ų | 13 | 98 Ų | 98 | 7% | 0.068 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -58 | -26.8 | 174 | -154.2 | 80.9 | 0 | 0 | 0 | 112.9 | T1111 L1112 F1113 F1123 I1129 V1136 | L1109-T1111 VanDerWaalsContact C-N 3.31Å; L1109-T1111 PolarHBondContact O-N 2.83Å; L1109-L1112 WeakPolarHBondContact O-CA 3.12Å; L1109-L1112 VanDerWaalsContact O-CB 3.25Å; L1109-L1112 WeakPolarHBondContact O-CB 3.15Å; L1109-L1112 PolarHBondContact O-N 2.86Å; L1109-F1113 HydrophobicContact CD1-CE2 4.27Å; L1109-F1113 HydrophobicContact CD2-CD2 4.13Å; L1109-F1113 HydrophobicContact CD2-CE2 3.82Å; L1109-F1113 HydrophobicContact CG-CD2 3.93Å; L1109-F1113 HydrophobicContact CG-CE2 3.8Å; L1109-F1113 PolarHBondContact O-N 2.68Å; L1109-F1123 HydrophobicContact CD2-CD1 4.46Å; L1109-F1123 HydrophobicContact CD2-CE1 3.85Å; L1109-I1129 HydrophobicContact CD2-CB 4.28Å; L1109-I1129 HydrophobicContact CD2-CG2 3.66Å; L1109-V1136 HydrophobicContact CD1-CG1 4.25Å; L1109-V1136 HydrophobicContact CD1-CG2 3.97Å |
| 1110 | H | 44.6 | Very low | 39.7 | Very low | 33 Ų | 33 | 93.9 Ų | 93.9 | 15% | 0.153 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -56.2 | -40.8 | 174.4 | -82.2 | -100.3 | 0 | 0 | 0 | 114.1 | N1108 L1112 N1114 V1115 S1118 N1119 G1120 F1123 | N1108-H1110 PolarHBondContact O-N 3.48Å; N1108-H1110 VanDerWaalsContact O-N 3.16Å; H1110-L1112 PolarHBondContact O-N 2.95Å; H1110-N1114 PolarHBondContact O-N 3.47Å; H1110-V1115 PolarHBondContact O-N 3.12Å; H1110-S1118 PolarHBondContact CE1-OG 2.98Å; H1110-S1118 PolarHBondContact ND1-O 2.86Å; H1110-N1119 PolarHBondContact CE1-O 2.02Å; H1110-G1120 PolarHBondContact CE1-O 3.32Å; H1110-G1120 WeakPolarHBondContact NE2-CA 3.09Å; H1110-G1120 PolarHBondContact NE2-O 3.43Å; H1110-F1123 WeakPolarHBondContact CE1-CB 3.08Å; H1110-F1123 WeakPolarHBondContact NE2-CB 3.37Å |
| 1111 | T | 47.8 | Very low | 41.2 | Very low | 103 Ų | 103 | 92 Ų | 92 | 63% | 0.632 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.7 | -23.5 | 175.9 | 0.7 | 0 | 0 | 0 | 0 | 112.1 | N1108 L1109 | N1108-T1111 PolarHBondContact O-N 3.04Å; N1108-T1111 VanDerWaalsContact O-N 3.13Å; N1108-T1111 PolarHBondContact O-OG1 2.82Å; L1109-T1111 VanDerWaalsContact C-N 3.31Å; L1109-T1111 PolarHBondContact O-N 2.83Å |
| 1112 | L | 41.5 | Very low | 42.2 | Very low | 34 Ų | 34 | 87.3 Ų | 87.3 | 18% | 0.178 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -81 | -40.2 | 179 | -156.1 | 144.8 | 0 | 0 | 0 | 110.7 | S946 L1109 H1110 | S946-L1112 VanDerWaalsContact CB-O 3.23Å; S946-L1112 WeakPolarHBondContact CB-O 3.29Å; S946-L1112 PolarHBondContact OG-O 3.15Å; L1109-L1112 WeakPolarHBondContact O-CA 3.12Å; L1109-L1112 VanDerWaalsContact O-CB 3.25Å; L1109-L1112 WeakPolarHBondContact O-CB 3.15Å; L1109-L1112 PolarHBondContact O-N 2.86Å; H1110-L1112 PolarHBondContact O-N 2.95Å |
| 1113 | F | 39.4 | Very low | 43.4 | Very low | 19 Ų | 19 | 82.3 Ų | 82.3 | 8% | 0.083 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.5 | 174.4 | -68.2 | -79.9 | 0 | 0 | 0 | 114.7 | I949 F951 L1109 V1115 F1123 I1129 | I949-F1113 HydrophobicContact CD1-CD1 4.32Å; I949-F1113 HydrophobicContact CD1-CE1 4.11Å; F951-F1113 HydrophobicContact CE2-CB 4.25Å; F951-F1113 AromaticContact CE2-CD1 3.99Å; F951-F1113 HydrophobicContact CE2-CD1 3.99Å; F951-F1113 HydrophobicContact CE2-CG 4.42Å; F951-F1113 HydrophobicContact CZ-CD1 4.42Å; L1109-F1113 HydrophobicContact CD1-CE2 4.27Å; L1109-F1113 HydrophobicContact CD2-CD2 4.13Å; L1109-F1113 HydrophobicContact CD2-CE2 3.82Å; L1109-F1113 HydrophobicContact CG-CD2 3.93Å; L1109-F1113 HydrophobicContact CG-CE2 3.8Å; L1109-F1113 PolarHBondContact O-N 2.68Å; F1113-V1115 HydrophobicContact CB-CG2 3.79Å; F1113-V1115 VanDerWaalsContact O-CG2 3.23Å; F1113-V1115 WeakPolarHBondContact O-CG2 3.07Å; F1113-V1115 PolarHBondContact O-N 3.14Å; F1113-V1115 VanDerWaalsContact O-N 3.09Å; F1113-F1123 HydrophobicContact CB-CE2 3.79Å; F1113-F1123 HydrophobicContact CB-CZ 3.82Å; F1113-F1123 HydrophobicContact CD1-CZ 4.19Å; F1113-F1123 AromaticContact CD2-CE1 3.84Å; F1113-F1123 HydrophobicContact CD2-CE1 3.84Å; F1113-F1123 HydrophobicContact CD2-CE2 4.24Å; F1113-F1123 AromaticContact CD2-CZ 3.39Å; F1113-F1123 HydrophobicContact CD2-CZ 3.39Å; F1113-F1123 HydrophobicContact CE2-CE1 4.25Å; F1113-F1123 AromaticContact CE2-CZ 3.97Å; F1113-F1123 HydrophobicContact CE2-CZ 3.97Å; F1113-F1123 HydrophobicContact CG-CE1 4.4Å; F1113-F1123 AromaticContact CG-CE2 3.99Å; F1113-F1123 HydrophobicContact CG-CE2 3.99Å; F1113-F1123 AromaticContact CG-CZ 3.52Å; F1113-F1123 HydrophobicContact CG-CZ 3.52Å; F1113-I1129 HydrophobicContact CZ-CD1 4.32Å |
| 1114 | N | 40.7 | Very low | 44.9 | Very low | 83 Ų | 83 | 78.7 Ų | 78.7 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 31.4 | 175.6 | -162.9 | 15.8 | 0 | 0 | 0 | 115.2 | H1110 S1116 | H1110-N1114 PolarHBondContact O-N 3.47Å; N1114-S1116 PolarHBondContact O-N 3.21Å |
| 1115 | V | 36.8 | Very low | 45.9 | Very low | 25 Ų | 25 | 76.4 Ų | 76.4 | 15% | 0.152 | 40% | 0.396 | C | S | . | . | trans | -82.7 | 68.3 | -171.7 | -165.1 | 0 | 0 | 0 | 0 | 111.6 | F951 H1110 F1113 K1117 S1118 F1123 | F951-V1115 HydrophobicContact CD2-CG2 3.86Å; F951-V1115 HydrophobicContact CE2-CG2 4.37Å; H1110-V1115 PolarHBondContact O-N 3.12Å; F1113-V1115 HydrophobicContact CB-CG2 3.79Å; F1113-V1115 VanDerWaalsContact O-CG2 3.23Å; F1113-V1115 WeakPolarHBondContact O-CG2 3.07Å; F1113-V1115 PolarHBondContact O-N 3.14Å; F1113-V1115 VanDerWaalsContact O-N 3.09Å; V1115-K1117 PolarHBondContact O-N 3.34Å; V1115-S1118 WeakPolarHBondContact CB-OG 3.06Å; V1115-S1118 VanDerWaalsContact CG1-OG 3.23Å; V1115-S1118 WeakPolarHBondContact CG1-OG 3.44Å; V1115-S1118 PolarHBondContact O-N 3.41Å; V1115-S1118 PolarHBondContact O-OG 3.5Å; V1115-F1123 HydrophobicContact CB-CD2 4.26Å; V1115-F1123 HydrophobicContact CG2-CD2 3.65Å; V1115-F1123 HydrophobicContact CG2-CE2 3.69Å | ||
| 1116 | S | 40.2 | Very low | 46.6 | Very low | 111 Ų | 111 | 73.6 Ų | 73.6 | 78% | 0.776 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -0.6 | -173 | 59.9 | 0 | 0 | 0 | 0 | 118 | N1114 | N1114-S1116 PolarHBondContact O-N 3.21Š|
| 1117 | K | 45.1 | Very low | 47.4 | Very low | 190 Ų | 190 | 67.9 Ų | 67.9 | 83% | 0.826 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | -1.8 | 177 | -72.7 | -174.8 | 176.1 | 178.9 | 0 | 114.8 | V1115 | V1115-K1117 PolarHBondContact O-N 3.34Š|
| 1118 | S | 40 | Very low | 48.3 | Very low | 14 Ų | 14 | 61.7 Ų | 61.7 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | trans | -106.6 | 136.5 | 177.6 | 76.9 | 0 | 0 | 0 | 0 | 111 | H1110 V1115 | H1110-S1118 PolarHBondContact CE1-OG 2.98Å; H1110-S1118 PolarHBondContact ND1-O 2.86Å; V1115-S1118 WeakPolarHBondContact CB-OG 3.06Å; V1115-S1118 VanDerWaalsContact CG1-OG 3.23Å; V1115-S1118 WeakPolarHBondContact CG1-OG 3.44Å; V1115-S1118 PolarHBondContact O-N 3.41Å; V1115-S1118 PolarHBondContact O-OG 3.5Å | ||
| 1119 | N | 53.1 | Low | 48.7 | Very low | 133 Ų | 133 | 57.2 Ų | 57.2 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | trans | -77.2 | 161.6 | 170.5 | -67.1 | -11.6 | 0 | 0 | 0 | 110.7 | H1110 L1121 H1122 F1123 | H1110-N1119 PolarHBondContact CE1-O 2.02Å; N1119-L1121 PolarHBondContact O-N 3.3Å; N1119-H1122 WeakPolarHBondContact O-CA 3.04Å; N1119-H1122 WeakPolarHBondContact O-CB 3.09Å; N1119-H1122 PolarHBondContact O-N 3.15Å; N1119-F1123 PolarHBondContact O-N 2.77Å | ||
| 1120 | G | 55.4 | Low | 49.5 | Very low | 36 Ų | 36 | 56.8 Ų | 56.8 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -25.8 | -72.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H1110 H1122 E1124 | H1110-G1120 PolarHBondContact CE1-O 3.32Å; H1110-G1120 WeakPolarHBondContact NE2-CA 3.09Å; H1110-G1120 PolarHBondContact NE2-O 3.43Å; G1120-H1122 VanDerWaalsContact C-N 3.26Å; G1120-H1122 PolarHBondContact O-N 2.71Å; G1120-E1124 WeakPolarHBondContact O-CG 3.48Å |
| 1121 | L | 59.2 | Low | 50.4 | Low | 139 Ų | 139 | 57.1 Ų | 57.1 | 73% | 0.728 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.8 | -25.5 | 179.8 | -86 | 67 | 0 | 0 | 0 | 114.2 | N1119 E1124 S1125 | N1119-L1121 PolarHBondContact O-N 3.3Å; L1121-E1124 PolarHBondContact O-N 3.27Å; L1121-S1125 WeakPolarHBondContact O-CB 3.33Å; L1121-S1125 PolarHBondContact O-N 2.79Å; L1121-S1125 PolarHBondContact O-OG 3.27Å |
| 1122 | H | 53.7 | Low | 50.9 | Low | 90 Ų | 90 | 54.7 Ų | 54.7 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.9 | -41.4 | -171.7 | -163.1 | 32.6 | 0 | 0 | 0 | 112.1 | N1119 G1120 S1125 Q1126 | N1119-H1122 WeakPolarHBondContact O-CA 3.04Å; N1119-H1122 WeakPolarHBondContact O-CB 3.09Å; N1119-H1122 PolarHBondContact O-N 3.15Å; G1120-H1122 VanDerWaalsContact C-N 3.26Å; G1120-H1122 PolarHBondContact O-N 2.71Å; H1122-S1125 WeakPolarHBondContact CA-OG 3.42Å; H1122-S1125 PolarHBondContact ND1-OG 3.37Å; H1122-S1125 PolarHBondContact O-N 2.91Å; H1122-S1125 PolarHBondContact O-OG 3.08Å; H1122-Q1126 PolarHBondContact CE1-NE2 3.35Å; H1122-Q1126 VanDerWaalsContact CE1-NE2 3.33Å; H1122-Q1126 PolarHBondContact NE2-NE2 2.93Å; H1122-Q1126 WeakPolarHBondContact O-CB 3.5Å; H1122-Q1126 WeakPolarHBondContact O-CG 3.36Å; H1122-Q1126 PolarHBondContact O-N 2.65Å |
| 1123 | F | 55.5 | Low | 51.5 | Low | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 169.6 | -179.3 | -95.8 | 0 | 0 | 0 | 110.9 | F951 L1109 H1110 F1113 V1115 N1119 S1125 Q1126 T1127 I1129 | F951-F1123 HydrophobicContact CD2-CE2 4.35Å; F951-F1123 AromaticContact CE2-CE2 3.87Å; F951-F1123 HydrophobicContact CE2-CE2 3.87Å; F951-F1123 HydrophobicContact CE2-CZ 4.48Å; F951-F1123 HydrophobicContact CZ-CE2 4.11Å; F951-F1123 HydrophobicContact CZ-CZ 4.49Å; L1109-F1123 HydrophobicContact CD2-CD1 4.46Å; L1109-F1123 HydrophobicContact CD2-CE1 3.85Å; H1110-F1123 WeakPolarHBondContact CE1-CB 3.08Å; H1110-F1123 WeakPolarHBondContact NE2-CB 3.37Å; F1113-F1123 HydrophobicContact CB-CE2 3.79Å; F1113-F1123 HydrophobicContact CB-CZ 3.82Å; F1113-F1123 HydrophobicContact CD1-CZ 4.19Å; F1113-F1123 AromaticContact CD2-CE1 3.84Å; F1113-F1123 HydrophobicContact CD2-CE1 3.84Å; F1113-F1123 HydrophobicContact CD2-CE2 4.24Å; F1113-F1123 AromaticContact CD2-CZ 3.39Å; F1113-F1123 HydrophobicContact CD2-CZ 3.39Å; F1113-F1123 HydrophobicContact CE2-CE1 4.25Å; F1113-F1123 AromaticContact CE2-CZ 3.97Å; F1113-F1123 HydrophobicContact CE2-CZ 3.97Å; F1113-F1123 HydrophobicContact CG-CE1 4.4Å; F1113-F1123 AromaticContact CG-CE2 3.99Å; F1113-F1123 HydrophobicContact CG-CE2 3.99Å; F1113-F1123 AromaticContact CG-CZ 3.52Å; F1113-F1123 HydrophobicContact CG-CZ 3.52Å; V1115-F1123 HydrophobicContact CB-CD2 4.26Å; V1115-F1123 HydrophobicContact CG2-CD2 3.65Å; V1115-F1123 HydrophobicContact CG2-CE2 3.69Å; N1119-F1123 PolarHBondContact O-N 2.77Å; F1123-S1125 PolarHBondContact O-N 3.42Å; F1123-S1125 VanDerWaalsContact O-N 3.17Å; F1123-Q1126 PolarHBondContact O-N 2.64Å; F1123-T1127 WeakPolarHBondContact CD1-OG1 3.45Å; F1123-T1127 HydrophobicContact CD2-CG2 3.79Å; F1123-T1127 HydrophobicContact CE1-CG2 4.31Å; F1123-T1127 WeakPolarHBondContact CE1-OG1 3.36Å; F1123-T1127 HydrophobicContact CE2-CG2 3.53Å; F1123-T1127 HydrophobicContact CG-CG2 4.3Å; F1123-T1127 HydrophobicContact CZ-CG2 3.81Å; F1123-T1127 WeakPolarHBondContact CZ-OG1 3.3Å; F1123-T1127 PolarHBondContact O-N 3.19Å; F1123-T1127 PolarHBondContact O-OG1 3.03Å; F1123-I1129 HydrophobicContact CE1-CB 4.06Å |
| 1124 | E | 58.5 | Low | 52.2 | Low | 43 Ų | 43 | 60.3 Ų | 60.3 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.7 | -38.2 | 179.2 | -59.1 | -176.8 | 146.1 | 0 | 0 | 111.8 | P1034 K1039 G1120 L1121 G1128 W1130 | P1034-E1124 WeakPolarHBondContact CD-O 3.3Å; P1034-E1124 HydrophobicContact CG-CB 4.48Å; K1039-E1124 IonicContact NZ-OE1 3.68Å; K1039-E1124 PolarHBondContact NZ-OE1 3.04Å; K1039-E1124 IonicContact NZ-OE2 2.99Å; K1039-E1124 PolarHBondContact NZ-OE2 2.93Å; G1120-E1124 WeakPolarHBondContact O-CG 3.48Å; L1121-E1124 PolarHBondContact O-N 3.27Å; E1124-G1128 WeakPolarHBondContact O-CA 3.39Å; E1124-G1128 PolarHBondContact O-N 3.4Å; E1124-W1130 HydrophobicContact CG-CB 3.91Å; E1124-W1130 VanDerWaalsContact OE1-CB 3.23Å; E1124-W1130 WeakPolarHBondContact OE1-CB 3.49Å |
| 1125 | S | 53.3 | Low | 52.7 | Low | 14 Ų | 14 | 57.8 Ų | 57.8 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.2 | -31.9 | 175.5 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | W1033 L1121 H1122 F1123 | W1033-S1125 VanDerWaalsContact CD1-O 3.23Å; W1033-S1125 VanDerWaalsContact CE3-CB 3.5Å; W1033-S1125 VanDerWaalsContact CZ3-CB 3.48Å; W1033-S1125 PolarHBondContact NE1-O 2.79Å; L1121-S1125 WeakPolarHBondContact O-CB 3.33Å; L1121-S1125 PolarHBondContact O-N 2.79Å; L1121-S1125 PolarHBondContact O-OG 3.27Å; H1122-S1125 WeakPolarHBondContact CA-OG 3.42Å; H1122-S1125 PolarHBondContact ND1-OG 3.37Å; H1122-S1125 PolarHBondContact O-N 2.91Å; H1122-S1125 PolarHBondContact O-OG 3.08Å; F1123-S1125 PolarHBondContact O-N 3.42Å; F1123-S1125 VanDerWaalsContact O-N 3.17Å |
| 1126 | Q | 47.4 | Very low | 53.7 | Low | 97 Ų | 97 | 57.6 Ų | 57.6 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -86.9 | -34 | -176.8 | -75.6 | 178.9 | -37.1 | 0 | 0 | 112.7 | H1122 F1123 | H1122-Q1126 PolarHBondContact CE1-NE2 3.35Å; H1122-Q1126 VanDerWaalsContact CE1-NE2 3.33Å; H1122-Q1126 PolarHBondContact NE2-NE2 2.93Å; H1122-Q1126 WeakPolarHBondContact O-CB 3.5Å; H1122-Q1126 WeakPolarHBondContact O-CG 3.36Å; H1122-Q1126 PolarHBondContact O-N 2.65Å; F1123-Q1126 PolarHBondContact O-N 2.64Å |
| 1127 | T | 50.8 | Low | 54.6 | Low | 11 Ų | 11 | 52.7 Ų | 52.7 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -109.2 | -11.2 | -173.4 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | F951 L1031 F1123 I1129 | F951-T1127 HydrophobicContact CD1-CG2 4.42Å; F951-T1127 HydrophobicContact CE1-CG2 3.89Å; F951-T1127 HydrophobicContact CZ-CG2 4.2Å; L1031-T1127 WeakPolarHBondContact CB-O 3.49Å; L1031-T1127 WeakPolarHBondContact CD1-O 3.44Å; F1123-T1127 WeakPolarHBondContact CD1-OG1 3.45Å; F1123-T1127 HydrophobicContact CD2-CG2 3.79Å; F1123-T1127 HydrophobicContact CE1-CG2 4.31Å; F1123-T1127 WeakPolarHBondContact CE1-OG1 3.36Å; F1123-T1127 HydrophobicContact CE2-CG2 3.53Å; F1123-T1127 HydrophobicContact CG-CG2 4.3Å; F1123-T1127 HydrophobicContact CZ-CG2 3.81Å; F1123-T1127 WeakPolarHBondContact CZ-OG1 3.3Å; F1123-T1127 PolarHBondContact O-N 3.19Å; F1123-T1127 PolarHBondContact O-OG1 3.03Å; T1127-I1129 WeakPolarHBondContact O-CG1 3.36Å; T1127-I1129 PolarHBondContact O-N 2.75Å; T1127-I1129 VanDerWaalsContact O-N 3.13Å; T1127-I1129 PolarHBondContact OG1-N 2.02Å |
| 1128 | G | 57.4 | Low | 55.2 | Low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | 66.7 | 7.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1032 E1124 I1139 | G1032-G1128 WeakPolarHBondContact O-CA 3.32Å; G1032-G1128 PolarHBondContact O-N 3.48Å; E1124-G1128 WeakPolarHBondContact O-CA 3.39Å; E1124-G1128 PolarHBondContact O-N 3.4Å; G1128-I1139 PolarHBondContact O-N 2.83Å | ||
| 1129 | I | 58.6 | Low | 56 | Low | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.6 | -177.6 | -43.2 | -179.7 | 0 | 0 | 0 | 110.6 | L1109 F1113 F1123 T1127 V1136 H1137 V1138 | L1109-I1129 HydrophobicContact CD2-CB 4.28Å; L1109-I1129 HydrophobicContact CD2-CG2 3.66Å; F1113-I1129 HydrophobicContact CZ-CD1 4.32Å; F1123-I1129 HydrophobicContact CE1-CB 4.06Å; T1127-I1129 WeakPolarHBondContact O-CG1 3.36Å; T1127-I1129 PolarHBondContact O-N 2.75Å; T1127-I1129 VanDerWaalsContact O-N 3.13Å; T1127-I1129 PolarHBondContact OG1-N 2.02Å; I1129-V1136 HydrophobicContact CG2-CG1 3.66Å; I1129-H1137 WeakPolarHBondContact CA-O 3.44Å; I1129-H1137 WeakPolarHBondContact CG2-O 3.34Å; I1129-V1138 HydrophobicContact CD1-CG2 4.38Å; I1129-V1138 HydrophobicContact CG1-CG1 4.28Å; I1129-V1138 HydrophobicContact CG1-CG2 4.1Å; I1129-V1138 HydrophobicContact CG2-CG2 4.01Å |
| 1130 | W | 60.9 | Low | 56 | Low | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 174.3 | 168.9 | 75.3 | 100.4 | 0 | 0 | 0 | 111.7 | P1034 K1039 L1042 E1124 V1136 H1137 I1139 | P1034-W1130 HydrophobicContact CB-CD2 4.42Å; P1034-W1130 HydrophobicContact CB-CE3 3.81Å; P1034-W1130 HydrophobicContact CB-CH2 4.12Å; P1034-W1130 HydrophobicContact CB-CZ3 3.66Å; P1034-W1130 HydrophobicContact CG-CE3 3.85Å; P1034-W1130 HydrophobicContact CG-CZ3 4.13Å; K1039-W1130 HydrophobicContact CD-CG 4.37Å; K1039-W1130 VanDerWaalsContact CE-CG 3.44Å; K1039-W1130 HydrophobicContact CG-CD2 4.44Å; K1039-W1130 HydrophobicContact CG-CZ2 4.04Å; L1042-W1130 HydrophobicContact CD1-CH2 3.6Å; L1042-W1130 HydrophobicContact CD1-CZ2 3.54Å; E1124-W1130 HydrophobicContact CG-CB 3.91Å; E1124-W1130 VanDerWaalsContact OE1-CB 3.23Å; E1124-W1130 WeakPolarHBondContact OE1-CB 3.49Å; W1130-V1136 WeakPolarHBondContact O-CA 3.45Å; W1130-H1137 AromaticContact CD1-CD2 3.87Å; W1130-H1137 HydrophobicContact CD2-CB 3.89Å; W1130-H1137 AromaticContact CE2-CD2 3.61Å; W1130-H1137 AromaticContact CE2-CG 3.67Å; W1130-H1137 HydrophobicContact CE3-CB 3.99Å; W1130-H1137 HydrophobicContact CH2-CB 3.53Å; W1130-H1137 HydrophobicContact CZ2-CB 3.4Å; W1130-H1137 VanDerWaalsContact CZ2-CB 3.4Å; W1130-H1137 AromaticContact CZ2-CD2 3.99Å; W1130-H1137 AromaticContact CZ2-CG 3.6Å; W1130-H1137 HydrophobicContact CZ3-CB 3.82Å; W1130-H1137 PolarHBondContact N-O 3.34Å; W1130-H1137 AromaticContact NE1-CD2 3.31Å; W1130-H1137 PolarHBondContact NE1-CD2 3.09Å; W1130-H1137 VanDerWaalsContact NE1-CD2 3.31Å; W1130-H1137 AromaticContact NE1-CG 3.85Å; W1130-H1137 AromaticContact NE1-NE2 3.9Å; W1130-H1137 PolarHBondContact O-N 3.42Å; W1130-I1139 HydrophobicContact CH2-CD1 3.77Å; W1130-I1139 HydrophobicContact CH2-CG1 4Å; W1130-I1139 HydrophobicContact CZ3-CD1 3.64Å; W1130-I1139 HydrophobicContact CZ3-CG1 3.77Å |
| 1131 | S | 62.3 | Low | 55.5 | Low | 41 Ų | 41 | 41.4 Ų | 41.4 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.1 | 172.9 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | I1135 | S1131-I1135 CarbonylContact C-O 3.59Å; S1131-I1135 WeakPolarHBondContact CA-O 3.08Å; S1131-I1135 WeakPolarHBondContact CB-O 3.39Å |
| 1132 | E | 59.7 | Low | 54.7 | Low | 52 Ų | 52 | 37.4 Ų | 37.4 | 24% | 0.243 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 137.1 | 171 | -160.6 | 159.6 | 166.3 | 0 | 0 | 109.7 | K1043 D1134 I1135 | K1043-E1132 VanDerWaalsContact CE-OE1 3.24Å; K1043-E1132 WeakPolarHBondContact CE-OE1 3.42Å; K1043-E1132 IonicContact NZ-OE1 2.72Å; K1043-E1132 PolarHBondContact NZ-OE1 3.22Å; E1132-D1134 VanDerWaalsContact C-N 3.32Å; E1132-D1134 PolarHBondContact O-N 2.77Å; E1132-D1134 VanDerWaalsContact O-N 3.17Å; E1132-I1135 PolarHBondContact N-O 3.42Å; E1132-I1135 PolarHBondContact O-N 3.15Å |
| 1133 | N | 54.2 | Low | 53.9 | Low | 95 Ų | 95 | 40.6 Ų | 40.6 | 51% | 0.508 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 43.8 | 179.5 | -66.9 | -17.9 | 0 | 0 | 0 | 116.3 | I1135 | N1133-I1135 PolarHBondContact O-N 3.45Š|
| 1134 | D | 52.7 | Low | 52.9 | Low | 75 Ų | 75 | 41.3 Ų | 41.3 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 24.7 | 179.9 | -47.1 | -36 | 0 | 0 | 0 | 113.8 | Y1086 E1132 | Y1086-D1134 WeakPolarHBondContact CB-O 3.2Å; Y1086-D1134 HydrophobicContact CD1-CB 4.18Å; Y1086-D1134 PolarHBondContact N-O 3.46Å; Y1086-D1134 VanDerWaalsContact N-O 3.15Å; E1132-D1134 VanDerWaalsContact C-N 3.32Å; E1132-D1134 PolarHBondContact O-N 2.77Å; E1132-D1134 VanDerWaalsContact O-N 3.17Å |
| 1135 | I | 51.5 | Low | 51.6 | Low | 31 Ų | 31 | 46.5 Ų | 46.5 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.1 | 166.5 | -61.3 | 174.9 | 0 | 0 | 0 | 108.1 | T1046 E1083 S1131 E1132 N1133 | T1046-I1135 HydrophobicContact CG2-CD1 4.33Å; E1083-I1135 HydrophobicContact CB-CG2 4.01Å; E1083-I1135 HydrophobicContact CG-CG2 4.14Å; S1131-I1135 CarbonylContact C-O 3.59Å; S1131-I1135 WeakPolarHBondContact CA-O 3.08Å; S1131-I1135 WeakPolarHBondContact CB-O 3.39Å; E1132-I1135 PolarHBondContact N-O 3.42Å; E1132-I1135 PolarHBondContact O-N 3.15Å; N1133-I1135 PolarHBondContact O-N 3.45Å |
| 1136 | V | 58.8 | Low | 50.4 | Low | 21 Ų | 21 | 47.9 Ų | 47.9 | 13% | 0.127 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.2 | 172.3 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | E1083 S1084 L1109 I1129 W1130 | E1083-V1136 CarbonylContact C-O 3.51Å; E1083-V1136 WeakPolarHBondContact CA-O 3.05Å; S1084-V1136 PolarHBondContact N-O 2.7Å; S1084-V1136 PolarHBondContact O-N 3.3Å; L1109-V1136 HydrophobicContact CD1-CG1 4.25Å; L1109-V1136 HydrophobicContact CD1-CG2 3.97Å; I1129-V1136 HydrophobicContact CG2-CG1 3.66Å; W1130-V1136 WeakPolarHBondContact O-CA 3.45Å |
| 1137 | H | 59 | Low | 49.3 | Very low | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.7 | 177.2 | -44.4 | -107.1 | 0 | 0 | 0 | 109.1 | V1081 V1082 E1083 I1129 W1130 | V1081-H1137 HydrophobicContact CG1-CB 4.29Å; V1082-H1137 WeakPolarHBondContact O-CA 3.5Å; E1083-H1137 WeakPolarHBondContact CG-ND1 3.2Å; E1083-H1137 IonicContact OE1-CE1 2.72Å; E1083-H1137 PolarHBondContact OE1-CE1 2.89Å; E1083-H1137 IonicContact OE1-ND1 2.71Å; E1083-H1137 PolarHBondContact OE1-ND1 2.99Å; I1129-H1137 WeakPolarHBondContact CA-O 3.44Å; I1129-H1137 WeakPolarHBondContact CG2-O 3.34Å; W1130-H1137 AromaticContact CD1-CD2 3.87Å; W1130-H1137 HydrophobicContact CD2-CB 3.89Å; W1130-H1137 AromaticContact CE2-CD2 3.61Å; W1130-H1137 AromaticContact CE2-CG 3.67Å; W1130-H1137 HydrophobicContact CE3-CB 3.99Å; W1130-H1137 HydrophobicContact CH2-CB 3.53Å; W1130-H1137 HydrophobicContact CZ2-CB 3.4Å; W1130-H1137 VanDerWaalsContact CZ2-CB 3.4Å; W1130-H1137 AromaticContact CZ2-CD2 3.99Å; W1130-H1137 AromaticContact CZ2-CG 3.6Å; W1130-H1137 HydrophobicContact CZ3-CB 3.82Å; W1130-H1137 PolarHBondContact N-O 3.34Å; W1130-H1137 AromaticContact NE1-CD2 3.31Å; W1130-H1137 PolarHBondContact NE1-CD2 3.09Å; W1130-H1137 VanDerWaalsContact NE1-CD2 3.31Å; W1130-H1137 AromaticContact NE1-CG 3.85Å; W1130-H1137 AromaticContact NE1-NE2 3.9Å; W1130-H1137 PolarHBondContact O-N 3.42Å |
| 1138 | V | 57.4 | Low | 48.1 | Very low | 28 Ų | 28 | 56.6 Ų | 56.6 | 17% | 0.17 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.8 | 175.6 | 180 | 0 | 0 | 0 | 0 | 107.9 | V1081 V1082 I1129 | V1081-V1138 CarbonylContact C-O 3.55Å; V1081-V1138 WeakPolarHBondContact CA-O 3.4Å; V1082-V1138 PolarHBondContact N-O 3.09Å; V1082-V1138 PolarHBondContact O-N 3.42Å; I1129-V1138 HydrophobicContact CD1-CG2 4.38Å; I1129-V1138 HydrophobicContact CG1-CG1 4.28Å; I1129-V1138 HydrophobicContact CG1-CG2 4.1Å; I1129-V1138 HydrophobicContact CG2-CG2 4.01Å |
| 1139 | I | 56.7 | Low | 46.7 | Very low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 150.1 | 166 | -74.1 | 168.6 | 0 | 0 | 0 | 110.1 | L1031 P1034 L1051 R1080 V1081 G1128 W1130 | L1031-I1139 WeakPolarHBondContact CB-O 3.41Å; L1031-I1139 CarbonylContact O-C 3.53Å; L1031-I1139 VanDerWaalsContact O-O 3.12Å; P1034-I1139 HydrophobicContact CB-CD1 3.85Å; L1051-I1139 HydrophobicContact CD1-CD1 3.85Å; L1051-I1139 HydrophobicContact CD1-CG1 4.39Å; R1080-I1139 CarbonylContact O-C 3.58Å; R1080-I1139 VanDerWaalsContact O-CA 3.24Å; R1080-I1139 WeakPolarHBondContact O-CA 3.49Å; V1081-I1139 HydrophobicContact CB-CG1 4.45Å; V1081-I1139 HydrophobicContact CG2-CD1 4.2Å; V1081-I1139 HydrophobicContact CG2-CG1 3.62Å; G1128-I1139 PolarHBondContact O-N 2.83Å; W1130-I1139 HydrophobicContact CH2-CD1 3.77Å; W1130-I1139 HydrophobicContact CH2-CG1 4Å; W1130-I1139 HydrophobicContact CZ3-CD1 3.64Å; W1130-I1139 HydrophobicContact CZ3-CG1 3.77Å |
| 1140 | Y | 53.7 | Low | 45.1 | Very low | 80 Ų | 80 | 62.3 Ų | 62.3 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 155.4 | 159.2 | 58.8 | -95.7 | 0 | 0 | 0 | 111.8 | L1031 R1079 R1080 V1082 E1142 | L1031-Y1140 VanDerWaalsContact O-CA 3.24Å; L1031-Y1140 WeakPolarHBondContact O-CA 3.19Å; R1079-Y1140 CarbonylContact C-O 3.57Å; R1079-Y1140 WeakPolarHBondContact CA-O 3.26Å; R1080-Y1140 HydrophobicContact CB-CD1 4.38Å; R1080-Y1140 HydrophobicContact CB-CD2 4.09Å; R1080-Y1140 HydrophobicContact CB-CE1 4.02Å; R1080-Y1140 HydrophobicContact CB-CE2 3.68Å; R1080-Y1140 HydrophobicContact CB-CG 4.42Å; R1080-Y1140 WeakPolarHBondContact CD-OH 3.4Å; R1080-Y1140 HydrophobicContact CG-CE2 3.98Å; R1080-Y1140 PolarHBondContact N-O 3.33Å; R1080-Y1140 PolarHBondContact O-N 2.7Å; V1082-Y1140 HydrophobicContact CG2-CD1 4.36Å; V1082-Y1140 HydrophobicContact CG2-CE1 3.61Å; Y1140-E1142 HydrophobicContact CD2-CB 4.49Å; Y1140-E1142 HydrophobicContact CE2-CB 4.48Å |
| 1141 | C | 45.1 | Very low | 43.5 | Very low | 28 Ų | 28 | 68.7 Ų | 68.7 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.3 | 174.2 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | C1069 L1077 | C1069-C1141 HydrophobicContact CB-CB 4.01Å; C1069-C1141 WeakPolarHBondContact CB-SG 2.95Å; C1069-C1141 WeakPolarHBondContact SG-CB 3.47Å; C1069-C1141 CovalentContact SG-SG 2.05Å; C1069-C1141 PolarHBondContact SG-SG 2.93Å; L1077-C1141 HydrophobicContact CB-CB 4.5Å; L1077-C1141 HydrophobicContact CD1-CB 3.91Å; L1077-C1141 HydrophobicContact CD2-CB 4.24Å; L1077-C1141 HydrophobicContact CG-CB 4.47Å |
| 1142 | E | 40.6 | Very low | 41.9 | Very low | 55 Ų | 55 | 73.2 Ų | 73.2 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.3 | -179.3 | 171.6 | -175.2 | -114.2 | 0 | 0 | 109.9 | L1077 K1078 R1080 Y1140 G1144 | L1077-E1142 CarbonylContact C-O 3.55Å; L1077-E1142 WeakPolarHBondContact CA-O 3.35Å; L1077-E1142 VanDerWaalsContact CD2-C 3.46Å; L1077-E1142 VanDerWaalsContact CD2-O 3.29Å; L1077-E1142 WeakPolarHBondContact CD2-O 3.4Å; K1078-E1142 PolarHBondContact N-O 2.99Å; K1078-E1142 PolarHBondContact O-N 2.83Å; R1080-E1142 VanDerWaalsContact CZ-CD 3.45Å; R1080-E1142 IonicContact CZ-OE1 2.74Å; R1080-E1142 IonicContact CZ-OE2 2.91Å; R1080-E1142 VanDerWaalsContact NE-CD 3.28Å; R1080-E1142 IonicContact NE-OE1 2.7Å; R1080-E1142 PolarHBondContact NE-OE1 3.22Å; R1080-E1142 IonicContact NE-OE2 2.7Å; R1080-E1142 PolarHBondContact NE-OE2 2.87Å; R1080-E1142 IonicContact NH1-OE1 2.82Å; R1080-E1142 IonicContact NH2-OE1 3.17Å; R1080-E1142 PolarHBondContact NH2-OE1 3.16Å; R1080-E1142 IonicContact NH2-OE2 3.2Å; R1080-E1142 PolarHBondContact NH2-OE2 2.95Å; Y1140-E1142 HydrophobicContact CD2-CB 4.49Å; Y1140-E1142 HydrophobicContact CE2-CB 4.48Å; E1142-G1144 PolarHBondContact O-N 3.23Å |
| 1143 | Y | 38.6 | Very low | 40.7 | Very low | 156 Ų | 156 | 77.7 Ų | 77.7 | 61% | 0.612 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 121.8 | 175.8 | -80.8 | -85.7 | 0 | 0 | 0 | 112 | T1075 L1077 | T1075-Y1143 HydrophobicContact CG2-CE1 4.03Å; L1077-Y1143 HydrophobicContact CD2-CG 4.42Å |
| 1144 | G | 32.9 | Very low | 40 | Very low | 18 Ų | 18 | 78 Ų | 78 | 19% | 0.186 | 44% | 0.435 | C | S | . | . | trans | -93.6 | 129.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q1076 E1142 G1146 | Q1076-G1144 PolarHBondContact O-N 2.83Å; E1142-G1144 PolarHBondContact O-N 3.23Å; G1144-G1146 PolarHBondContact O-N 3.35Å | ||
| 1145 | T | 33 | Very low | 40 | Very low | 151 Ų | 151 | 82.2 Ų | 82.2 | 93% | 0.926 | 45% | 0.445 | S | S | * | . | trans | -72.4 | 49.6 | 172.8 | 42.2 | 0 | 0 | 0 | 0 | 112.3 | K1147 | T1145-K1147 PolarHBondContact O-N 3.01Š| ||
| 1146 | G | 28.1 | Very low | 40.4 | Very low | 43 Ų | 43 | 85 Ų | 85 | 44% | 0.443 | 46% | 0.46 | S | S | . | . | trans | -79.3 | 77.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | G1144 T1148 | G1144-G1146 PolarHBondContact O-N 3.35Å; G1146-T1148 PolarHBondContact O-N 3.13Å | ||
| 1147 | K | 23.8 | Very low | 40.9 | Very low | 174 Ų | 174 | 84.2 Ų | 84.2 | 76% | 0.757 | 46% | 0.455 | S | S | * | . | trans | -58.2 | 126.4 | 147.2 | -97.7 | -172.5 | 176 | -178.7 | 0 | 107.1 | T1145 | T1145-K1147 PolarHBondContact O-N 3.01Š| ||
| 1148 | T | 25 | Very low | 41.4 | Very low | 118 Ų | 118 | 84 Ų | 84 | 72% | 0.724 | 46% | 0.455 | S | S | * | . | trans | -57.2 | 134.2 | 161.6 | 46.2 | 0 | 0 | 0 | 0 | 108.1 | G1146 G1150 | G1146-T1148 PolarHBondContact O-N 3.13Å; T1148-G1150 PolarHBondContact O-N 2.74Å | ||
| 1149 | P | 27.8 | Very low | 41.7 | Very low | 90 Ų | 90 | 86.8 Ų | 86.8 | 58% | 0.584 | 47% | 0.471 | S | S | * | . | trans | -59.6 | 110.5 | 178 | 24 | -32.8 | 0 | 0 | 0 | 109.2 | ||||
| 1150 | G | 24.8 | Very low | 42.4 | Very low | 42 Ų | 42 | 87.9 Ų | 87.9 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | trans | -67.5 | 146.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | T1148 D1152 H1154 | T1148-G1150 PolarHBondContact O-N 2.74Å; G1150-D1152 PolarHBondContact O-N 2.88Å; G1150-H1154 PolarHBondContact O-CE1 3.49Å; G1150-H1154 VanDerWaalsContact O-CE1 3.25Å | ||
| 1151 | T | 27.4 | Very low | 43.8 | Very low | 137 Ų | 137 | 85.7 Ų | 85.7 | 84% | 0.84 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -84.3 | 60.8 | -176.9 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1152 | D | 29.9 | Very low | 45.9 | Very low | 135 Ų | 135 | 84.4 Ų | 84.4 | 72% | 0.722 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -136.9 | 139.5 | 176.5 | -71.9 | -65.7 | 0 | 0 | 0 | 110.5 | G1150 H1154 | G1150-D1152 PolarHBondContact O-N 2.88Å; D1152-H1154 PolarHBondContact O-N 3.22Å; D1152-H1154 PolarHBondContact O-ND1 2.84Å |
| 1153 | D | 34.4 | Very low | 48.2 | Very low | 146 Ų | 146 | 81.8 Ų | 81.8 | 78% | 0.781 | 45% | 0.452 | S | S | * | . | trans | 10.5 | 72.2 | 176.1 | -72.7 | -4.5 | 0 | 0 | 0 | 118.6 | R1155 | D1153-R1155 PolarHBondContact O-N 2.97Š| ||
| 1154 | H | 39.5 | Very low | 50.7 | Low | 101 Ų | 101 | 74.4 Ų | 74.4 | 47% | 0.468 | 42% | 0.423 | S | S | . | . | trans | -65.9 | 96.2 | 168.6 | -66.1 | -7.1 | 0 | 0 | 0 | 111.9 | G1150 D1152 | G1150-H1154 PolarHBondContact O-CE1 3.49Å; G1150-H1154 VanDerWaalsContact O-CE1 3.25Å; D1152-H1154 PolarHBondContact O-N 3.22Å; D1152-H1154 PolarHBondContact O-ND1 2.84Å | ||
| 1155 | R | 52.6 | Low | 53.4 | Low | 165 Ų | 165 | 73.7 Ų | 73.7 | 62% | 0.623 | 42% | 0.415 | S | S | * | . | trans | -69.2 | 127.7 | 157.3 | -61.7 | -167.1 | -168.7 | -170 | 4.3 | 108.8 | D1153 P1331 | D1153-R1155 PolarHBondContact O-N 2.97Å; R1155-P1331 HydrophobicContact CB-CB 4.38Å; R1155-P1331 VanDerWaalsContact O-CB 3.3Å; R1155-P1331 WeakPolarHBondContact O-CB 2.95Å | ||
| 1156 | N | 60.2 | Low | 55.8 | Low | 89 Ų | 89 | 67.2 Ų | 67.2 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | trans | -89.1 | 177.8 | 179.4 | -78.4 | -50.7 | 0 | 0 | 0 | 110.3 | ||||
| 1157 | W | 68.2 | Low | 58.2 | Low | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | trans | -75.3 | 137.4 | 163.6 | -86.6 | 72.8 | 0 | 0 | 0 | 110.2 | V1159 Y1162 I1164 P1172 F1215 L1233 F1330 P1331 T1334 F1337 | W1157-V1159 PolarHBondContact O-N 2.84Å; W1157-Y1162 HydrophobicContact CE3-CE2 4.5Å; W1157-I1164 HydrophobicContact CH2-CD1 4Å; W1157-I1164 HydrophobicContact CZ3-CD1 4.17Å; W1157-P1172 VanDerWaalsContact CD1-CB 3.47Å; W1157-P1172 HydrophobicContact CD2-CB 4.19Å; W1157-P1172 HydrophobicContact CD2-CG 4.48Å; W1157-P1172 HydrophobicContact CG-CB 4.04Å; W1157-P1172 HydrophobicContact CZ2-CB 4.4Å; W1157-P1172 HydrophobicContact CZ2-CG 4.01Å; W1157-P1172 VanDerWaalsContact NE1-CB 3.27Å; W1157-F1215 HydrophobicContact CB-CD1 4.07Å; W1157-F1215 HydrophobicContact CB-CE1 3.39Å; W1157-F1215 HydrophobicContact CB-CZ 4.13Å; W1157-F1215 AromaticContact CD2-CE1 3.98Å; W1157-F1215 HydrophobicContact CD2-CE1 3.98Å; W1157-F1215 AromaticContact CD2-CZ 3.77Å; W1157-F1215 HydrophobicContact CD2-CZ 3.77Å; W1157-F1215 HydrophobicContact CE3-CE1 4.05Å; W1157-F1215 HydrophobicContact CE3-CE2 4.22Å; W1157-F1215 AromaticContact CE3-CZ 3.64Å; W1157-F1215 HydrophobicContact CE3-CZ 3.64Å; W1157-F1215 AromaticContact CG-CE1 3.72Å; W1157-F1215 HydrophobicContact CG-CE1 3.72Å; W1157-F1215 AromaticContact CG-CZ 3.98Å; W1157-F1215 HydrophobicContact CG-CZ 3.98Å; W1157-F1215 HydrophobicContact CZ3-CZ 4.3Å; W1157-L1233 HydrophobicContact CE3-CD2 4.49Å; W1157-L1233 HydrophobicContact CZ3-CD2 4.39Å; W1157-F1330 HydrophobicContact CE3-CD1 4.31Å; W1157-F1330 HydrophobicContact CE3-CE1 4.28Å; W1157-F1330 AromaticContact CH2-CD1 3.59Å; W1157-F1330 HydrophobicContact CH2-CD1 3.59Å; W1157-F1330 AromaticContact CH2-CE1 3.7Å; W1157-F1330 HydrophobicContact CH2-CE1 3.7Å; W1157-F1330 HydrophobicContact CZ2-CD1 4.11Å; W1157-F1330 AromaticContact CZ3-CD1 3.71Å; W1157-F1330 HydrophobicContact CZ3-CD1 3.71Å; W1157-F1330 AromaticContact CZ3-CE1 3.49Å; W1157-F1330 HydrophobicContact CZ3-CE1 3.49Å; W1157-F1330 VanDerWaalsContact CZ3-CE1 3.49Å; W1157-P1331 VanDerWaalsContact CD1-CG 3.43Å; W1157-P1331 HydrophobicContact CG-CG 4.12Å; W1157-T1334 PolarHBondContact NE1-OG1 2.99Å; W1157-F1337 HydrophobicContact CH2-CB 4.27Å; W1157-F1337 HydrophobicContact CH2-CD1 4.1Å; W1157-F1337 AromaticContact CH2-CD2 3.57Å; W1157-F1337 HydrophobicContact CH2-CD2 3.57Å; W1157-F1337 HydrophobicContact CH2-CE1 4.28Å; W1157-F1337 AromaticContact CH2-CE2 3.8Å; W1157-F1337 HydrophobicContact CH2-CE2 3.8Å; W1157-F1337 AromaticContact CH2-CG 3.73Å; W1157-F1337 HydrophobicContact CH2-CG 3.73Å; W1157-F1337 HydrophobicContact CH2-CZ 4.14Å; W1157-F1337 HydrophobicContact CZ2-CB 4.07Å; W1157-F1337 AromaticContact CZ2-CD1 3.54Å; W1157-F1337 HydrophobicContact CZ2-CD1 3.54Å; W1157-F1337 AromaticContact CZ2-CD2 3.9Å; W1157-F1337 HydrophobicContact CZ2-CD2 3.9Å; W1157-F1337 AromaticContact CZ2-CE1 3.81Å; W1157-F1337 HydrophobicContact CZ2-CE1 3.81Å; W1157-F1337 HydrophobicContact CZ2-CE2 4.17Å; W1157-F1337 AromaticContact CZ2-CG 3.57Å; W1157-F1337 HydrophobicContact CZ2-CG 3.57Å; W1157-F1337 HydrophobicContact CZ2-CZ 4.11Å | ||
| 1158 | P | 69.2 | Low | 60.3 | Low | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | trans | -40.4 | 117.5 | 165.9 | -39.4 | 42.7 | 0 | 0 | 0 | 113.3 | S1160 Y1162 E1231 S1232 L1233 | P1158-S1160 PolarHBondContact O-N 2.96Å; P1158-Y1162 WeakPolarHBondContact O-CE1 3.13Å; P1158-Y1162 PolarHBondContact O-OH 2.88Å; P1158-E1231 WeakPolarHBondContact CA-O 3.44Å; P1158-E1231 WeakPolarHBondContact CB-O 2.96Å; P1158-E1231 HydrophobicContact CG-CB 4.46Å; P1158-S1232 VanDerWaalsContact CG-O 3.27Å; P1158-S1232 WeakPolarHBondContact CG-O 3.39Å; P1158-L1233 HydrophobicContact CB-CD2 4.16Å; P1158-L1233 HydrophobicContact CB-CG 4.07Å; P1158-L1233 HydrophobicContact CG-CD2 4.26Å | ||
| 1159 | V | 64 | Low | 62.2 | Low | 85 Ų | 85 | 54.3 Ų | 54.3 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | trans | -82.3 | 113 | 173.6 | -168 | 0 | 0 | 0 | 0 | 107.3 | W1157 T1216 | W1157-V1159 PolarHBondContact O-N 2.84Å; V1159-T1216 WeakPolarHBondContact CG1-O 3.46Å | ||
| 1160 | S | 72 | Confident | 64.1 | Low | 23 Ų | 23 | 54 Ų | 54 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -167.4 | 165.4 | 176.1 | -165.4 | 0 | 0 | 0 | 0 | 109.2 | P1158 Y1162 F1215 T1216 P1248 | P1158-S1160 PolarHBondContact O-N 2.96Å; S1160-Y1162 WeakPolarHBondContact O-CD1 3.28Å; S1160-Y1162 WeakPolarHBondContact O-CE1 3.3Å; S1160-Y1162 PolarHBondContact O-N 2.89Å; S1160-F1215 CarbonylContact O-C 3.48Å; S1160-F1215 VanDerWaalsContact O-CB 3.27Å; S1160-F1215 WeakPolarHBondContact O-CB 3.44Å; S1160-T1216 PolarHBondContact O-N 2.79Å; S1160-P1248 WeakPolarHBondContact OG-CB 3.18Å |
| 1161 | N | 83 | Confident | 66.7 | Low | 35 Ų | 35 | 53.4 Ų | 53.4 | 19% | 0.187 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -79.2 | 83.1 | -175 | -61.4 | -77.6 | 0 | 0 | 0 | 112.4 | D1217 V1243 N1244 | N1161-D1217 PolarHBondContact ND2-OD2 3.1Å; N1161-V1243 HydrophobicContact CB-CB 4.23Å; N1161-N1244 HydrophobicContact CB-CB 4.48Å; N1161-N1244 PolarHBondContact OD1-ND2 2.76Å |
| 1162 | Y | 88.6 | Confident | 69.1 | Low | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 165.8 | 174 | 66.2 | -82.3 | 0 | 0 | 0 | 112.4 | W1157 P1158 S1160 I1164 F1215 L1233 V1240 L1241 P1248 | W1157-Y1162 HydrophobicContact CE3-CE2 4.5Å; P1158-Y1162 WeakPolarHBondContact O-CE1 3.13Å; P1158-Y1162 PolarHBondContact O-OH 2.88Å; S1160-Y1162 WeakPolarHBondContact O-CD1 3.28Å; S1160-Y1162 WeakPolarHBondContact O-CE1 3.3Å; S1160-Y1162 PolarHBondContact O-N 2.89Å; Y1162-I1164 HydrophobicContact CD2-CG2 4.25Å; Y1162-I1164 HydrophobicContact CE2-CG2 4.31Å; Y1162-F1215 HydrophobicContact CD1-CB 4.1Å; Y1162-F1215 AromaticContact CD2-CD2 3.79Å; Y1162-F1215 HydrophobicContact CD2-CD2 3.79Å; Y1162-F1215 HydrophobicContact CD2-CE2 4.41Å; Y1162-F1215 HydrophobicContact CD2-CG 4.47Å; Y1162-F1215 HydrophobicContact CE1-CB 3.64Å; Y1162-F1215 HydrophobicContact CE1-CD2 4.21Å; Y1162-F1215 AromaticContact CE1-CG 3.96Å; Y1162-F1215 HydrophobicContact CE1-CG 3.96Å; Y1162-F1215 HydrophobicContact CE2-CB 4.18Å; Y1162-F1215 AromaticContact CE2-CD2 3.16Å; Y1162-F1215 HydrophobicContact CE2-CD2 3.16Å; Y1162-F1215 AromaticContact CE2-CE2 3.56Å; Y1162-F1215 HydrophobicContact CE2-CE2 3.56Å; Y1162-F1215 AromaticContact CE2-CG 3.75Å; Y1162-F1215 HydrophobicContact CE2-CG 3.75Å; Y1162-F1215 HydrophobicContact CE2-CZ 4.41Å; Y1162-F1215 AromaticContact CZ-CD2 3.39Å; Y1162-F1215 AromaticContact CZ-CE2 3.96Å; Y1162-F1215 AromaticContact CZ-CG 3.42Å; Y1162-F1215 VanDerWaalsContact CZ-CG 3.42Å; Y1162-F1215 PolarHBondContact N-O 3.34Å; Y1162-F1215 PolarHBondContact O-N 2.93Å; Y1162-F1215 WeakPolarHBondContact OH-CD1 3.14Å; Y1162-F1215 WeakPolarHBondContact OH-CG 3.46Å; Y1162-L1233 HydrophobicContact CD1-CD1 3.62Å; Y1162-L1233 HydrophobicContact CD1-CG 4.25Å; Y1162-L1233 HydrophobicContact CD2-CD1 3.78Å; Y1162-L1233 HydrophobicContact CE1-CD1 3.64Å; Y1162-L1233 HydrophobicContact CE1-CD2 4.27Å; Y1162-L1233 HydrophobicContact CE1-CG 3.79Å; Y1162-L1233 HydrophobicContact CE2-CD1 3.78Å; Y1162-L1233 HydrophobicContact CE2-CD2 4.04Å; Y1162-L1233 HydrophobicContact CE2-CG 4.26Å; Y1162-L1233 HydrophobicContact CG-CD1 3.71Å; Y1162-V1240 HydrophobicContact CD2-CB 3.99Å; Y1162-V1240 HydrophobicContact CD2-CG1 3.87Å; Y1162-V1240 HydrophobicContact CD2-CG2 4.25Å; Y1162-V1240 HydrophobicContact CG-CB 4.33Å; Y1162-V1240 HydrophobicContact CG-CG2 4.1Å; Y1162-L1241 CarbonylContact C-O 3.59Å; Y1162-L1241 VanDerWaalsContact CA-O 3.32Å; Y1162-L1241 WeakPolarHBondContact CA-O 3.34Å; Y1162-P1248 HydrophobicContact CD1-CG 3.91Å; Y1162-P1248 HydrophobicContact CG-CG 4.22Å |
| 1163 | A | 89.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1213 V1214 L1241 V1243 P1291 | A1163-C1213 CarbonylContact C-O 3.5Å; A1163-C1213 VanDerWaalsContact CA-O 3.23Å; A1163-C1213 WeakPolarHBondContact CA-O 3.38Å; A1163-V1214 HydrophobicContact CB-CB 4.41Å; A1163-V1214 HydrophobicContact CB-CG2 3.94Å; A1163-L1241 HydrophobicContact CB-CB 4.22Å; A1163-L1241 PolarHBondContact N-O 3.41Å; A1163-L1241 PolarHBondContact O-N 3.14Å; A1163-V1243 HydrophobicContact CB-CG2 3.79Å; A1163-P1291 HydrophobicContact CB-CB 3.96Å |
| 1164 | I | 90.9 | Very high | 72.9 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 155.3 | 173.8 | 64.9 | -178.8 | 0 | 0 | 0 | 110.6 | W1157 Y1162 K1166 P1172 Y1212 C1213 F1215 V1240 F1337 Y1338 L1339 | W1157-I1164 HydrophobicContact CH2-CD1 4Å; W1157-I1164 HydrophobicContact CZ3-CD1 4.17Å; Y1162-I1164 HydrophobicContact CD2-CG2 4.25Å; Y1162-I1164 HydrophobicContact CE2-CG2 4.31Å; I1164-K1166 PolarHBondContact O-N 3.35Å; I1164-P1172 HydrophobicContact CD1-CG 4.36Å; I1164-Y1212 CarbonylContact O-C 3.56Å; I1164-Y1212 WeakPolarHBondContact O-CA 3.22Å; I1164-C1213 HydrophobicContact CG1-CB 3.87Å; I1164-C1213 PolarHBondContact N-O 2.65Å; I1164-C1213 PolarHBondContact O-N 2.87Å; I1164-F1215 HydrophobicContact CD1-CE2 4.01Å; I1164-F1215 HydrophobicContact CD1-CZ 4.41Å; I1164-F1215 HydrophobicContact CG1-CE2 4.1Å; I1164-V1240 HydrophobicContact CG2-CB 4.49Å; I1164-V1240 HydrophobicContact CG2-CG1 3.91Å; I1164-F1337 HydrophobicContact CD1-CB 4.23Å; I1164-Y1338 WeakPolarHBondContact CB-O 3.33Å; I1164-L1339 HydrophobicContact CG2-CD2 4.16Å |
| 1165 | P | 88.2 | Confident | 74.8 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 136.3 | 171.1 | -18.7 | 31 | 0 | 0 | 0 | 110.3 | S1167 L1197 Y1338 Y1340 L1405 | P1165-S1167 PolarHBondContact O-N 3.48Å; P1165-L1197 HydrophobicContact CB-CD2 3.52Å; P1165-Y1338 HydrophobicContact CB-CD2 4.32Å; P1165-Y1338 HydrophobicContact CB-CG 4.18Å; P1165-Y1340 HydrophobicContact CG-CD2 4.42Å; P1165-Y1340 HydrophobicContact CG-CE1 4.19Å; P1165-Y1340 HydrophobicContact CG-CE2 3.71Å; P1165-L1405 HydrophobicContact CG-CD2 3.75Å |
| 1166 | K | 84 | Confident | 76.2 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 129.9 | 177.7 | -179.1 | 176.5 | 179 | -158.8 | 0 | 110.6 | I1164 D1170 K1177 D1198 D1211 | I1164-K1166 PolarHBondContact O-N 3.35Å; K1166-D1170 WeakPolarHBondContact CE-OD1 3.46Å; K1166-D1170 IonicContact NZ-OD1 2.75Å; K1166-D1170 PolarHBondContact NZ-OD1 3.01Å; K1166-K1177 HydrophobicContact CD-CD 4.44Å; K1166-D1198 HydrophobicContact CB-CB 4.19Å; K1166-D1198 HydrophobicContact CD-CB 3.86Å; K1166-D1198 VanDerWaalsContact CD-OD2 3.31Å; K1166-D1198 WeakPolarHBondContact CD-OD2 3.42Å; K1166-D1198 VanDerWaalsContact CE-OD2 3.22Å; K1166-D1198 WeakPolarHBondContact CE-OD2 3.38Å; K1166-D1198 HydrophobicContact CG-CB 3.8Å; K1166-D1198 IonicContact NZ-OD2 3.4Å; K1166-D1198 PolarHBondContact NZ-OD2 2.81Å; K1166-D1198 PolarHBondContact O-N 3.48Å; K1166-D1211 HydrophobicContact CB-CB 3.9Å; K1166-D1211 WeakPolarHBondContact CB-O 3.43Å; K1166-D1211 HydrophobicContact CD-CB 3.97Å; K1166-D1211 HydrophobicContact CG-CB 4.49Å; K1166-D1211 PolarHBondContact N-O 2.04Å |
| 1167 | S | 79.6 | Confident | 77.1 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -81.9 | 155.5 | 167.7 | 90.8 | 0 | 0 | 0 | 0 | 111.1 | P1165 N1169 D1170 H1196 P1336 | P1165-S1167 PolarHBondContact O-N 3.48Å; S1167-N1169 PolarHBondContact O-N 2.85Å; S1167-N1169 PolarHBondContact OG-N 3.19Å; S1167-D1170 PolarHBondContact O-N 3.24Å; S1167-H1196 CarbonylContact C-O 3.43Å; S1167-H1196 WeakPolarHBondContact CA-O 3.17Å; S1167-P1336 WeakPolarHBondContact CB-O 3.2Å; S1167-P1336 PolarHBondContact OG-O 3.22Å |
| 1168 | L | 67.1 | Low | 77.7 | Confident | 20 Ų | 20 | 33.6 Ų | 33.6 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.3 | 177.6 | -147.7 | 88.9 | 0 | 0 | 0 | 113.2 | V1050 R1080 D1170 H1196 L1197 D1198 | V1050-L1168 HydrophobicContact CG2-CD2 4.08Å; V1050-L1168 HydrophobicContact CG2-CG 4.1Å; V1050-L1168 WeakPolarHBondContact CG2-O 3.34Å; R1080-L1168 VanDerWaalsContact CZ-CD2 3.4Å; R1080-L1168 VanDerWaalsContact NH1-CD2 3.29Å; L1168-D1170 VanDerWaalsContact C-N 3.28Å; L1168-H1196 WeakPolarHBondContact CB-O 3.45Å; L1168-H1196 PolarHBondContact N-O 3.08Å; L1168-L1197 WeakPolarHBondContact CD1-O 2.99Å; L1168-D1198 HydrophobicContact CD1-CB 4.36Å |
| 1169 | N | 65 | Low | 78.1 | Confident | 42 Ų | 42 | 36.1 Ų | 36.1 | 23% | 0.225 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.8 | 179.4 | -81.3 | -58.2 | 0 | 0 | 0 | 114.5 | K1078 S1167 P1336 | K1078-N1169 PolarHBondContact NZ-O 2.99Å; K1078-N1169 PolarHBondContact NZ-OD1 3.18Å; S1167-N1169 PolarHBondContact O-N 2.85Å; S1167-N1169 PolarHBondContact OG-N 3.19Å; N1169-P1336 HydrophobicContact CB-CG 3.7Å; N1169-P1336 WeakPolarHBondContact ND2-CG 3.27Å |
| 1170 | D | 67.8 | Low | 78.8 | Confident | 84 Ų | 84 | 32.9 Ų | 32.9 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | trans | 87 | 166.6 | -175.5 | -140 | -4.7 | 0 | 0 | 0 | 115.2 | K1166 S1167 L1168 | K1166-D1170 WeakPolarHBondContact CE-OD1 3.46Å; K1166-D1170 IonicContact NZ-OD1 2.75Å; K1166-D1170 PolarHBondContact NZ-OD1 3.01Å; S1167-D1170 PolarHBondContact O-N 3.24Å; L1168-D1170 VanDerWaalsContact C-N 3.28Å | ||
| 1171 | C | 78.3 | Confident | 78.8 | Confident | 28 Ų | 28 | 32.8 Ų | 32.8 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 144.1 | -175.8 | -78.3 | 0 | 0 | 0 | 0 | 112.8 | S1175 C1213 | C1171-S1175 WeakPolarHBondContact CB-OG 3.44Å; C1171-C1213 WeakPolarHBondContact CA-SG 3.37Å; C1171-C1213 HydrophobicContact CB-CB 3.76Å; C1171-C1213 WeakPolarHBondContact CB-SG 3.48Å; C1171-C1213 WeakPolarHBondContact SG-CA 3.24Å; C1171-C1213 WeakPolarHBondContact SG-CB 3.32Å; C1171-C1213 CovalentContact SG-SG 2.04Å; C1171-C1213 PolarHBondContact SG-SG 2.99Å |
| 1172 | P | 78.6 | Confident | 78.2 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 146.4 | 176.1 | -19.6 | 31.5 | 0 | 0 | 0 | 112.9 | W1157 I1164 G1174 S1175 F1215 F1337 | W1157-P1172 VanDerWaalsContact CD1-CB 3.47Å; W1157-P1172 HydrophobicContact CD2-CB 4.19Å; W1157-P1172 HydrophobicContact CD2-CG 4.48Å; W1157-P1172 HydrophobicContact CG-CB 4.04Å; W1157-P1172 HydrophobicContact CZ2-CB 4.4Å; W1157-P1172 HydrophobicContact CZ2-CG 4.01Å; W1157-P1172 VanDerWaalsContact NE1-CB 3.27Å; I1164-P1172 HydrophobicContact CD1-CG 4.36Å; P1172-G1174 PolarHBondContact O-N 3.15Å; P1172-S1175 PolarHBondContact O-N 3.3Å; P1172-S1175 PolarHBondContact O-OG 2.99Å; P1172-F1215 HydrophobicContact CB-CZ 4.22Å; P1172-F1215 HydrophobicContact CG-CZ 4.28Å; P1172-F1337 HydrophobicContact CG-CB 4.45Å |
| 1173 | K | 72.5 | Confident | 77 | Confident | 137 Ų | 137 | 33.5 Ų | 33.5 | 60% | 0.596 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 135.2 | 179.4 | -67.7 | -179.5 | -179.6 | 174.1 | 0 | 111.1 | ||
| 1174 | G | 72.3 | Confident | 75.4 | Confident | 51 Ų | 51 | 34.8 Ų | 34.8 | 53% | 0.526 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | -19.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1172 | P1172-G1174 PolarHBondContact O-N 3.15Š|
| 1175 | S | 79.5 | Confident | 73.4 | Confident | 21 Ų | 21 | 36 Ų | 36 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -91.7 | 151.1 | 176.9 | 64 | 0 | 0 | 0 | 0 | 114.1 | C1171 P1172 V1214 | C1171-S1175 WeakPolarHBondContact CB-OG 3.44Å; P1172-S1175 PolarHBondContact O-N 3.3Å; P1172-S1175 PolarHBondContact O-OG 2.99Å; S1175-V1214 CarbonylContact C-O 3.44Å; S1175-V1214 VanDerWaalsContact CA-O 3.28Å; S1175-V1214 WeakPolarHBondContact CA-O 3.31Å; S1175-V1214 WeakPolarHBondContact CB-O 2.99Å |
| 1176 | V | 80.5 | Confident | 71.3 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.4 | 172.5 | -177.3 | 0 | 0 | 0 | 0 | 109 | A1178 V1214 Q1219 | V1176-A1178 PolarHBondContact O-N 3.37Å; V1176-V1214 PolarHBondContact N-O 3.34Å; V1176-V1214 WeakPolarHBondContact O-CB 3.43Å; V1176-V1214 PolarHBondContact O-N 2.98Å; V1176-Q1219 VanDerWaalsContact CG2-NE2 3.31Å |
| 1177 | K | 79.2 | Confident | 69.4 | Low | 91 Ų | 91 | 49.6 Ų | 49.6 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 122.6 | 173.9 | -174.2 | -176.7 | 178.9 | 179.6 | 0 | 110.7 | K1166 D1211 Y1212 | K1166-K1177 HydrophobicContact CD-CD 4.44Å; K1177-D1211 WeakPolarHBondContact CE-OD1 3.2Å; K1177-D1211 WeakPolarHBondContact CE-OD2 3.05Å; K1177-D1211 IonicContact NZ-OD1 2.63Å; K1177-D1211 PolarHBondContact NZ-OD1 3.06Å; K1177-D1211 IonicContact NZ-OD2 3.01Å; K1177-D1211 PolarHBondContact NZ-OD2 2.81Å; K1177-Y1212 WeakPolarHBondContact CA-O 3.42Å |
| 1178 | A | 81.5 | Confident | 67.7 | Low | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 151.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1176 Y1212 V1214 T1290 | V1176-A1178 PolarHBondContact O-N 3.37Å; A1178-Y1212 PolarHBondContact N-O 2.84Å; A1178-Y1212 PolarHBondContact O-N 2.91Å; A1178-V1214 HydrophobicContact CB-CG2 3.46Å; A1178-V1214 VanDerWaalsContact CB-CG2 3.46Å; A1178-T1290 HydrophobicContact CB-CG2 4.4Å |
| 1179 | T | 78.9 | Confident | 66.3 | Low | 57 Ų | 57 | 49 Ų | 49 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.2 | -175.6 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | L1209 L1210 D1211 Q1284 | T1179-L1209 HydrophobicContact CG2-CB 3.7Å; T1179-L1209 HydrophobicContact CG2-CD1 4.01Å; T1179-L1209 HydrophobicContact CG2-CD2 4.19Å; T1179-L1209 HydrophobicContact CG2-CG 4.16Å; T1179-L1210 WeakPolarHBondContact CA-O 3.31Å; T1179-D1211 WeakPolarHBondContact CB-OD1 2.98Å; T1179-D1211 VanDerWaalsContact CG2-OD1 3.3Å; T1179-D1211 WeakPolarHBondContact CG2-OD1 3.04Å; T1179-D1211 PolarHBondContact OG1-OD1 3.41Å; T1179-Q1284 PolarHBondContact O-NE2 3.15Å |
| 1180 | M | 77.2 | Confident | 65.4 | Low | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.4 | 176.3 | -170.3 | 53.9 | 176 | 0 | 0 | 111.5 | H1182 L1209 L1210 Y1212 Q1284 I1293 L1310 | M1180-H1182 PolarHBondContact O-CD2 2.68Å; M1180-L1209 CarbonylContact O-C 3.36Å; M1180-L1209 WeakPolarHBondContact O-CA 3.47Å; M1180-L1210 PolarHBondContact N-O 2.87Å; M1180-L1210 PolarHBondContact O-N 3.08Å; M1180-Y1212 HydrophobicContact CB-CD2 4.32Å; M1180-Y1212 HydrophobicContact CB-CE2 3.85Å; M1180-Q1284 PolarHBondContact SD-NE2 2.83Å; M1180-Q1284 VanDerWaalsContact SD-NE2 3.4Å; M1180-I1293 HydrophobicContact CB-CD1 4.25Å; M1180-I1293 HydrophobicContact CE-CB 4.2Å; M1180-I1293 HydrophobicContact CE-CG2 3.97Å; M1180-I1293 VanDerWaalsContact CE-O 3.23Å; M1180-I1293 WeakPolarHBondContact CE-O 3.48Å; M1180-I1293 HydrophobicContact CG-CB 4.28Å; M1180-I1293 HydrophobicContact CG-CD1 4.1Å; M1180-I1293 HydrophobicContact CG-CG2 4.19Å; M1180-L1310 HydrophobicContact CE-CD1 3.73Å |
| 1181 | R | 72.9 | Confident | 64.3 | Low | 20 Ų | 20 | 49.5 Ų | 49.5 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 118.9 | 175.6 | -178 | -177.7 | 179.4 | -178.8 | 5.1 | 109.7 | D1207 I1208 L1209 N1277 R1295 | R1181-D1207 HydrophobicContact CG-CB 4.23Å; R1181-D1207 IonicContact CZ-OD1 3.24Å; R1181-D1207 IonicContact CZ-OD2 3.31Å; R1181-D1207 IonicContact NE-OD1 3.18Å; R1181-D1207 PolarHBondContact NE-OD1 3.37Å; R1181-D1207 IonicContact NE-OD2 3.34Å; R1181-D1207 PolarHBondContact NE-OD2 2.82Å; R1181-D1207 VanDerWaalsContact NE-OD2 3.14Å; R1181-D1207 IonicContact NH2-OD1 3.89Å; R1181-D1207 PolarHBondContact NH2-OD1 2.03Å; R1181-D1207 IonicContact NH2-OD2 2.7Å; R1181-D1207 PolarHBondContact NH2-OD2 3.45Å; R1181-I1208 CarbonylContact C-O 3.53Å; R1181-I1208 WeakPolarHBondContact CA-O 3.5Å; R1181-L1209 HydrophobicContact CB-CD2 3.55Å; R1181-L1209 HydrophobicContact CG-CD2 3.87Å; R1181-N1277 PolarHBondContact NH1-OD1 3.25Å; R1181-N1277 PolarHBondContact NH2-OD1 2.84Å; R1181-R1295 VanDerWaalsContact O-CZ 3.23Å; R1181-R1295 PolarHBondContact O-NH1 2.85Å; R1181-R1295 PolarHBondContact O-NH2 2.89Å |
| 1182 | H | 71 | Confident | 62.3 | Low | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.4 | 172.3 | -58.2 | -89 | 0 | 0 | 0 | 109.9 | M1180 F1189 D1207 I1208 E1260 L1310 Y1312 | M1180-H1182 PolarHBondContact O-CD2 2.68Å; H1182-F1189 HydrophobicContact CB-CD2 4.31Å; H1182-F1189 HydrophobicContact CB-CE2 4.1Å; H1182-D1207 CarbonylContact O-C 3.19Å; H1182-D1207 VanDerWaalsContact O-CA 3.28Å; H1182-D1207 WeakPolarHBondContact O-CA 3.05Å; H1182-I1208 PolarHBondContact N-O 3.31Å; H1182-I1208 PolarHBondContact O-N 3.29Å; H1182-E1260 WeakPolarHBondContact CA-OE1 3.46Å; H1182-L1310 VanDerWaalsContact ND1-CD2 3.28Å; H1182-L1310 WeakPolarHBondContact ND1-CD2 3.35Å; H1182-Y1312 AromaticContact CE1-CE1 3.93Å; H1182-Y1312 AromaticContact CE1-CZ 3.85Å; H1182-Y1312 PolarHBondContact CE1-OH 2.8Å; H1182-Y1312 PolarHBondContact ND1-OH 2.02Å |
| 1183 | Q | 63.2 | Low | 60.5 | Low | 50 Ų | 50 | 53.8 Ų | 53.8 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.6 | -175 | -56 | -141.4 | -84.2 | 0 | 0 | 111.4 | D1207 E1260 | Q1183-D1207 PolarHBondContact NE2-OD1 3.45Å; Q1183-E1260 HydrophobicContact CB-CB 4.4Å; Q1183-E1260 PolarHBondContact N-OE1 3.23Å |
| 1184 | Q | 55.5 | Low | 59 | Low | 27 Ų | 27 | 49.9 Ų | 49.9 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | trans | -100 | 143.4 | -171.2 | -170.6 | 177.5 | 7.7 | 0 | 0 | 111.9 | Y1187 Y1201 K1206 | Q1184-Y1187 PolarHBondContact NE2-O 3.28Å; Q1184-Y1201 PolarHBondContact OE1-OH 2.75Å; Q1184-Y1201 VanDerWaalsContact OE1-OH 3.14Å; Q1184-K1206 HydrophobicContact CB-CB 4.12Å; Q1184-K1206 VanDerWaalsContact CB-O 3.28Å; Q1184-K1206 WeakPolarHBondContact CB-O 3.15Å; Q1184-K1206 PolarHBondContact N-O 2.84Å; Q1184-K1206 WeakPolarHBondContact O-CB 3.47Å | ||
| 1185 | D | 49.7 | Very low | 58 | Low | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | trans | -82.2 | -139.9 | 177.4 | 91 | -42.7 | 0 | 0 | 0 | 111 | Y1187 G1188 K1206 | D1185-Y1187 PolarHBondContact OD1-N 2.94Å; D1185-Y1187 PolarHBondContact OD2-N 3.25Å; D1185-G1188 WeakPolarHBondContact OD1-CA 3.41Å; D1185-G1188 PolarHBondContact OD1-N 3.06Å; D1185-K1206 WeakPolarHBondContact O-CD 3.32Å; D1185-K1206 VanDerWaalsContact O-CE 3.25Å; D1185-K1206 WeakPolarHBondContact O-CE 3.09Å; D1185-K1206 PolarHBondContact O-NZ 3.26Å | ||
| 1186 | R | 44.2 | Very low | 57.2 | Low | 158 Ų | 158 | 49.9 Ų | 49.9 | 60% | 0.596 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -85.7 | -22 | 172.4 | -152 | -175.4 | -54.5 | -157.4 | 9.7 | 114.6 | D1368 | R1186-D1368 IonicContact CZ-OD2 2.78Å; R1186-D1368 IonicContact NH2-OD2 2.89Å; R1186-D1368 PolarHBondContact NH2-OD2 3.17Å |
| 1187 | Y | 42.3 | Very low | 56.4 | Low | 144 Ų | 144 | 48.1 Ų | 48.1 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -116 | -80 | -178.2 | -50 | -74.8 | 0 | 0 | 0 | 108.6 | Q1184 D1185 | Q1184-Y1187 PolarHBondContact NE2-O 3.28Å; D1185-Y1187 PolarHBondContact OD1-N 2.94Å; D1185-Y1187 PolarHBondContact OD2-N 3.25Å |
| 1188 | G | 44 | Very low | 55.5 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | 86.5 | -162.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | D1185 H1190 D1362 | D1185-G1188 WeakPolarHBondContact OD1-CA 3.41Å; D1185-G1188 PolarHBondContact OD1-N 3.06Å; G1188-H1190 PolarHBondContact O-CD2 3.23Å; G1188-H1190 PolarHBondContact O-N 2.99Å; G1188-H1190 VanDerWaalsContact O-N 3.08Å; G1188-D1362 WeakPolarHBondContact CA-OD2 3.22Å; G1188-D1362 PolarHBondContact N-OD2 2.99Å | ||
| 1189 | F | 38.9 | Very low | 54.2 | Low | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | trans | -55.4 | 110.1 | -170.4 | -147.3 | -73.2 | 0 | 0 | 0 | 113.4 | H1182 Y1191 I1208 L1210 I1359 C1360 V1361 | H1182-F1189 HydrophobicContact CB-CD2 4.31Å; H1182-F1189 HydrophobicContact CB-CE2 4.1Å; F1189-Y1191 AromaticContact CD1-CE2 3.78Å; F1189-Y1191 HydrophobicContact CD1-CE2 3.78Å; F1189-Y1191 AromaticContact CD1-CZ 3.85Å; F1189-Y1191 HydrophobicContact CE1-CE1 4.17Å; F1189-Y1191 HydrophobicContact CE1-CE2 4.03Å; F1189-Y1191 AromaticContact CE1-CZ 3.59Å; F1189-Y1191 VanDerWaalsContact CE1-OH 3.27Å; F1189-Y1191 WeakPolarHBondContact CE1-OH 3.18Å; F1189-I1208 HydrophobicContact CB-CD1 3.72Å; F1189-I1208 HydrophobicContact CB-CG1 4.49Å; F1189-I1208 HydrophobicContact CD1-CD1 3.77Å; F1189-I1208 HydrophobicContact CG-CD1 3.92Å; F1189-L1210 HydrophobicContact CE1-CD1 4.08Å; F1189-L1210 HydrophobicContact CZ-CD1 3.75Å; F1189-I1359 HydrophobicContact CD1-CG2 4.31Å; F1189-I1359 HydrophobicContact CE1-CG2 3.35Å; F1189-I1359 HydrophobicContact CE2-CG2 4.44Å; F1189-I1359 HydrophobicContact CZ-CG2 3.44Å; F1189-I1359 VanDerWaalsContact CZ-CG2 3.44Å; F1189-C1360 WeakPolarHBondContact CA-O 3.46Å; F1189-V1361 HydrophobicContact CD2-CB 4.5Å; F1189-V1361 HydrophobicContact CD2-CG1 4.03Å; F1189-V1361 HydrophobicContact CD2-CG2 4.2Å; F1189-V1361 HydrophobicContact CE2-CB 4.47Å; F1189-V1361 HydrophobicContact CE2-CG1 4.15Å; F1189-V1361 HydrophobicContact CE2-CG2 3.73Å; F1189-V1361 HydrophobicContact CZ-CG2 4.1Å | ||
| 1190 | H | 45.3 | Very low | 53 | Low | 101 Ų | 101 | 43.4 Ų | 43.4 | 47% | 0.468 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 155.2 | -177.4 | -86.9 | -77.7 | 0 | 0 | 0 | 110.9 | G1188 C1360 | G1188-H1190 PolarHBondContact O-CD2 3.23Å; G1188-H1190 PolarHBondContact O-N 2.99Å; G1188-H1190 VanDerWaalsContact O-N 3.08Å; H1190-C1360 HydrophobicContact CB-CB 4.01Å; H1190-C1360 PolarHBondContact N-O 2.62Å; H1190-C1360 WeakPolarHBondContact O-CA 3.25Å; H1190-C1360 WeakPolarHBondContact O-CB 3.47Å; H1190-C1360 PolarHBondContact O-N 3.14Å; H1190-C1360 VanDerWaalsContact O-O 3.1Å |
| 1191 | Y | 44.4 | Very low | 51.5 | Low | 34 Ų | 34 | 44.4 Ų | 44.4 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.5 | 171.5 | -59.8 | -101.4 | 0 | 0 | 0 | 107 | F1189 I1195 L1197 I1208 L1210 I1359 | F1189-Y1191 AromaticContact CD1-CE2 3.78Å; F1189-Y1191 HydrophobicContact CD1-CE2 3.78Å; F1189-Y1191 AromaticContact CD1-CZ 3.85Å; F1189-Y1191 HydrophobicContact CE1-CE1 4.17Å; F1189-Y1191 HydrophobicContact CE1-CE2 4.03Å; F1189-Y1191 AromaticContact CE1-CZ 3.59Å; F1189-Y1191 VanDerWaalsContact CE1-OH 3.27Å; F1189-Y1191 WeakPolarHBondContact CE1-OH 3.18Å; Y1191-I1195 HydrophobicContact CG-CD1 4.36Å; Y1191-L1197 HydrophobicContact CD1-CD1 4Å; Y1191-L1197 HydrophobicContact CE1-CD1 3.85Å; Y1191-I1208 HydrophobicContact CE2-CD1 3.91Å; Y1191-L1210 HydrophobicContact CE1-CD2 4.36Å; Y1191-L1210 WeakPolarHBondContact OH-CD2 3.1Å; Y1191-I1359 HydrophobicContact CD1-CG1 4.14Å; Y1191-I1359 HydrophobicContact CE1-CD1 4.48Å; Y1191-I1359 HydrophobicContact CE1-CG1 3.94Å |
| 1192 | S | 37.9 | Very low | 50.2 | Low | 23 Ų | 23 | 46.2 Ų | 46.2 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | trans | -97.8 | 166.1 | 173.6 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | Y1358 | S1192-Y1358 WeakPolarHBondContact OG-CD1 3.35Å; S1192-Y1358 VanDerWaalsContact OG-CD2 3.3Å; S1192-Y1358 WeakPolarHBondContact OG-CD2 3.39Å; S1192-Y1358 WeakPolarHBondContact OG-CE1 3.21Å; S1192-Y1358 VanDerWaalsContact OG-CE2 3.23Å; S1192-Y1358 WeakPolarHBondContact OG-CE2 2.91Å; S1192-Y1358 VanDerWaalsContact OG-CG 3.23Å; S1192-Y1358 PolarHBondContact OG-O 2.79Å | ||
| 1193 | Q | 39.1 | Very low | 48.8 | Very low | 103 Ų | 103 | 50.9 Ų | 50.9 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 61.5 | 178.1 | 158.2 | -73.9 | 171.3 | -44.8 | 0 | 0 | 113.8 | I1195 Y1358 | Q1193-I1195 VanDerWaalsContact C-N 3.32Å; Q1193-I1195 WeakPolarHBondContact O-CG1 3.27Å; Q1193-I1195 PolarHBondContact O-N 2.86Å; Q1193-Y1358 VanDerWaalsContact OE1-CD1 3.29Å |
| 1194 | P | 41.4 | Very low | 47.8 | Very low | 55 Ų | 55 | 59 Ų | 59 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -84.3 | 71.5 | -166.2 | 32.2 | -32.6 | 0 | 0 | 0 | 113.3 | K935 H1196 | K935-P1194 HydrophobicContact CD-CB 4.15Å; K935-P1194 WeakPolarHBondContact CE-O 3.5Å; K935-P1194 HydrophobicContact CG-CB 4.48Å; K935-P1194 PolarHBondContact NZ-O 3.4Å; P1194-H1196 PolarHBondContact O-CE1 2.76Å; P1194-H1196 PolarHBondContact O-ND1 3.04Å |
| 1195 | I | 51.8 | Low | 47.5 | Very low | 29 Ų | 29 | 62.5 Ų | 62.5 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | trans | -21.2 | 130.4 | 169.3 | -44.6 | 176.1 | 0 | 0 | 0 | 117.3 | K935 Y1191 Q1193 L1197 | K935-I1195 HydrophobicContact CB-CB 4.17Å; K935-I1195 HydrophobicContact CB-CD1 4.35Å; K935-I1195 HydrophobicContact CB-CG1 4.25Å; K935-I1195 HydrophobicContact CD-CB 4.31Å; K935-I1195 WeakPolarHBondContact CD-O 3.23Å; K935-I1195 WeakPolarHBondContact CE-O 3.4Å; K935-I1195 PolarHBondContact NZ-O 3.39Å; Y1191-I1195 HydrophobicContact CG-CD1 4.36Å; Q1193-I1195 VanDerWaalsContact C-N 3.32Å; Q1193-I1195 WeakPolarHBondContact O-CG1 3.27Å; Q1193-I1195 PolarHBondContact O-N 2.86Å; I1195-L1197 HydrophobicContact CG2-CB 3.96Å | ||
| 1196 | H | 62.8 | Low | 47.7 | Very low | 44 Ų | 44 | 65.6 Ų | 65.6 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | trans | -122 | 10 | 160.5 | -54.5 | 86.6 | 0 | 0 | 0 | 114.5 | K935 S1167 L1168 P1194 Y1338 E1357 Y1407 | K935-H1196 PolarHBondContact NZ-CD2 2.99Å; K935-H1196 PolarHBondContact NZ-CE1 3.34Å; K935-H1196 PolarHBondContact NZ-NE2 2.99Å; S1167-H1196 CarbonylContact C-O 3.43Å; S1167-H1196 WeakPolarHBondContact CA-O 3.17Å; L1168-H1196 WeakPolarHBondContact CB-O 3.45Å; L1168-H1196 PolarHBondContact N-O 3.08Å; P1194-H1196 PolarHBondContact O-CE1 2.76Å; P1194-H1196 PolarHBondContact O-ND1 3.04Å; H1196-Y1338 WeakPolarHBondContact CA-OH 3.45Å; H1196-Y1338 HydrophobicContact CB-CE2 4.3Å; H1196-Y1338 VanDerWaalsContact CB-OH 3.3Å; H1196-Y1338 WeakPolarHBondContact CB-OH 3.43Å; H1196-Y1338 PolarHBondContact N-OH 2.88Å; H1196-E1357 IonicContact CE1-OE1 2.72Å; H1196-E1357 IonicContact CG-OE1 3.84Å; H1196-E1357 PolarHBondContact N-OE1 3.02Å; H1196-E1357 VanDerWaalsContact N-OE1 3.15Å; H1196-E1357 PolarHBondContact N-OE2 3.46Å; H1196-E1357 IonicContact ND1-OE1 3.68Å; H1196-E1357 PolarHBondContact ND1-OE1 2.89Å; H1196-Y1407 HydrophobicContact CB-CD1 4.47Å; H1196-Y1407 HydrophobicContact CB-CD2 3.61Å; H1196-Y1407 HydrophobicContact CB-CE1 4.31Å; H1196-Y1407 HydrophobicContact CB-CE2 3.4Å; H1196-Y1407 VanDerWaalsContact CB-CE2 3.4Å; H1196-Y1407 HydrophobicContact CB-CG 4.14Å; H1196-Y1407 AromaticContact CD2-CE1 3.93Å; H1196-Y1407 AromaticContact CD2-CZ 3.78Å; H1196-Y1407 AromaticContact CG-CE1 3.8Å; H1196-Y1407 AromaticContact CG-CE2 3.82Å; H1196-Y1407 AromaticContact CG-CZ 3.67Å; H1196-Y1407 AromaticContact ND1-CD1 3.78Å; H1196-Y1407 AromaticContact ND1-CE1 3.89Å | ||
| 1197 | L | 63.9 | Low | 48.3 | Very low | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 146 | 177.7 | -70.4 | 165.5 | 0 | 0 | 0 | 113.6 | P1165 L1168 Y1191 I1195 Y1338 I1359 L1405 | P1165-L1197 HydrophobicContact CB-CD2 3.52Å; L1168-L1197 WeakPolarHBondContact CD1-O 2.99Å; Y1191-L1197 HydrophobicContact CD1-CD1 4Å; Y1191-L1197 HydrophobicContact CE1-CD1 3.85Å; I1195-L1197 HydrophobicContact CG2-CB 3.96Å; L1197-Y1338 HydrophobicContact CB-CE2 4.44Å; L1197-Y1338 HydrophobicContact CD2-CD1 4.44Å; L1197-Y1338 HydrophobicContact CD2-CD2 3.83Å; L1197-Y1338 HydrophobicContact CD2-CE1 4.19Å; L1197-Y1338 HydrophobicContact CD2-CE2 3.57Å; L1197-Y1338 HydrophobicContact CD2-CG 4.25Å; L1197-Y1338 HydrophobicContact CG-CE1 4.32Å; L1197-Y1338 HydrophobicContact CG-CE2 3.88Å; L1197-Y1338 PolarHBondContact N-OH 3.02Å; L1197-I1359 HydrophobicContact CD1-CD1 3.95Å; L1197-I1359 HydrophobicContact CD1-CG1 3.94Å; L1197-L1405 HydrophobicContact CD1-CD1 3.82Å; L1197-L1405 HydrophobicContact CD2-CD1 4.08Å; L1197-L1405 HydrophobicContact CG-CD1 4.29Å |
| 1198 | D | 59.4 | Low | 49.4 | Very low | 20 Ų | 20 | 51.5 Ų | 51.5 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | trans | -90.6 | 139.3 | 164.8 | -163.7 | 11.6 | 0 | 0 | 0 | 111.3 | K1166 L1168 | K1166-D1198 HydrophobicContact CB-CB 4.19Å; K1166-D1198 HydrophobicContact CD-CB 3.86Å; K1166-D1198 VanDerWaalsContact CD-OD2 3.31Å; K1166-D1198 WeakPolarHBondContact CD-OD2 3.42Å; K1166-D1198 VanDerWaalsContact CE-OD2 3.22Å; K1166-D1198 WeakPolarHBondContact CE-OD2 3.38Å; K1166-D1198 HydrophobicContact CG-CB 3.8Å; K1166-D1198 IonicContact NZ-OD2 3.4Å; K1166-D1198 PolarHBondContact NZ-OD2 2.81Å; K1166-D1198 PolarHBondContact O-N 3.48Å; L1168-D1198 HydrophobicContact CD1-CB 4.36Å | ||
| 1199 | G | 55.4 | Low | 50.6 | Low | 15 Ų | 15 | 53.7 Ų | 53.7 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 145.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | L1209 | G1199-L1209 CarbonylContact C-O 3.54Å; G1199-L1209 VanDerWaalsContact CA-O 3.23Å; G1199-L1209 WeakPolarHBondContact CA-O 3.21Å |
| 1200 | V | 52.2 | Low | 52.4 | Low | 17 Ų | 17 | 53.4 Ų | 53.4 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.2 | -167.9 | -166.5 | 0 | 0 | 0 | 0 | 111 | F1045 T1046 F1202 L1209 | F1045-V1200 HydrophobicContact CD2-CG1 4.17Å; F1045-V1200 HydrophobicContact CE2-CB 4.37Å; F1045-V1200 HydrophobicContact CE2-CG1 3.66Å; F1045-V1200 HydrophobicContact CE2-CG2 3.74Å; F1045-V1200 HydrophobicContact CZ-CG1 4.2Å; F1045-V1200 HydrophobicContact CZ-CG2 4.26Å; T1046-V1200 VanDerWaalsContact O-CG1 3.29Å; T1046-V1200 WeakPolarHBondContact O-CG1 3.42Å; V1200-F1202 HydrophobicContact CB-CE2 3.78Å; V1200-F1202 HydrophobicContact CB-CZ 4.24Å; V1200-F1202 HydrophobicContact CG1-CD2 4.37Å; V1200-F1202 HydrophobicContact CG1-CE1 4.39Å; V1200-F1202 HydrophobicContact CG1-CE2 3.49Å; V1200-F1202 VanDerWaalsContact CG1-CE2 3.49Å; V1200-F1202 HydrophobicContact CG1-CZ 3.51Å; V1200-L1209 HydrophobicContact CB-CB 4.31Å; V1200-L1209 PolarHBondContact N-O 3.01Å; V1200-L1209 PolarHBondContact O-N 2.99Å |
| 1201 | Y | 47.2 | Very low | 54.2 | Low | 38 Ų | 38 | 48.8 Ų | 48.8 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 104.2 | -167.6 | -178.4 | -102.2 | 0 | 0 | 0 | 113.4 | T1046 Q1184 K1203 I1208 | T1046-Y1201 PolarHBondContact O-N 2.8Å; T1046-Y1201 PolarHBondContact OG1-O 2.72Å; Q1184-Y1201 PolarHBondContact OE1-OH 2.75Å; Q1184-Y1201 VanDerWaalsContact OE1-OH 3.14Å; Y1201-K1203 HydrophobicContact CD1-CB 4Å; Y1201-K1203 HydrophobicContact CE1-CB 3.54Å; Y1201-K1203 HydrophobicContact CE1-CD 4.32Å; Y1201-K1203 HydrophobicContact CE1-CG 3.79Å; Y1201-K1203 PolarHBondContact O-N 3.1Å; Y1201-K1203 VanDerWaalsContact O-N 3.08Å; Y1201-I1208 HydrophobicContact CD2-CD1 3.62Å; Y1201-I1208 HydrophobicContact CD2-CG1 3.68Å; Y1201-I1208 HydrophobicContact CE2-CD1 3.79Å; Y1201-I1208 HydrophobicContact CE2-CG1 3.93Å |
| 1202 | F | 45.5 | Very low | 56.3 | Low | 59 Ų | 59 | 47.4 Ų | 47.4 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 71.1 | -174.6 | -66 | -85 | 0 | 0 | 0 | 112.1 | V1200 R1204 K1205 K1206 D1207 L1209 | V1200-F1202 HydrophobicContact CB-CE2 3.78Å; V1200-F1202 HydrophobicContact CB-CZ 4.24Å; V1200-F1202 HydrophobicContact CG1-CD2 4.37Å; V1200-F1202 HydrophobicContact CG1-CE1 4.39Å; V1200-F1202 HydrophobicContact CG1-CE2 3.49Å; V1200-F1202 VanDerWaalsContact CG1-CE2 3.49Å; V1200-F1202 HydrophobicContact CG1-CZ 3.51Å; F1202-R1204 PolarHBondContact O-N 2.73Å; F1202-K1205 HydrophobicContact CB-CB 4.36Å; F1202-K1205 PolarHBondContact O-N 3.14Å; F1202-K1206 PolarHBondContact O-N 3.06Å; F1202-D1207 HydrophobicContact CB-CB 4.31Å; F1202-D1207 PolarHBondContact N-O 3.4Å; F1202-L1209 HydrophobicContact CD2-CD1 4.43Å; F1202-L1209 HydrophobicContact CD2-CG 4.07Å; F1202-L1209 HydrophobicContact CE2-CB 4.31Å; F1202-L1209 HydrophobicContact CE2-CD1 3.55Å; F1202-L1209 HydrophobicContact CE2-CG 3.61Å; F1202-L1209 HydrophobicContact CZ-CD1 4.17Å |
| 1203 | K | 40.1 | Very low | 58.7 | Low | 99 Ų | 99 | 46.3 Ų | 46.3 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -31.2 | -177.3 | -164.6 | 175.1 | -177.4 | -173 | 0 | 115.2 | Y1201 | Y1201-K1203 HydrophobicContact CD1-CB 4Å; Y1201-K1203 HydrophobicContact CE1-CB 3.54Å; Y1201-K1203 HydrophobicContact CE1-CD 4.32Å; Y1201-K1203 HydrophobicContact CE1-CG 3.79Å; Y1201-K1203 PolarHBondContact O-N 3.1Å; Y1201-K1203 VanDerWaalsContact O-N 3.08Å |
| 1204 | R | 42.7 | Very low | 61 | Low | 219 Ų | 219 | 41.4 Ų | 41.4 | 83% | 0.826 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -29.9 | 177.4 | -70.1 | -169.5 | -174.3 | -176.1 | 5.2 | 114.1 | F1202 | F1202-R1204 PolarHBondContact O-N 2.73Š|
| 1205 | K | 49 | Very low | 63.1 | Low | 101 Ų | 101 | 39 Ų | 39 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -15.5 | 178.6 | -64.3 | -168.9 | 173.6 | -173.8 | 0 | 113.5 | F1202 D1207 | F1202-K1205 HydrophobicContact CB-CB 4.36Å; F1202-K1205 PolarHBondContact O-N 3.14Å; K1205-D1207 VanDerWaalsContact C-N 3.3Å; K1205-D1207 HydrophobicContact CB-CB 4.31Å; K1205-D1207 WeakPolarHBondContact CB-OD2 3.49Å; K1205-D1207 VanDerWaalsContact CD-OD2 3.31Å; K1205-D1207 WeakPolarHBondContact CD-OD2 3.3Å |
| 1206 | K | 53.4 | Low | 64.1 | Low | 93 Ų | 93 | 38.1 Ų | 38.1 | 40% | 0.404 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 40.9 | -164.8 | -57.3 | 174.8 | 157.6 | -157.3 | 0 | 111.8 | Q1184 D1185 F1202 | Q1184-K1206 HydrophobicContact CB-CB 4.12Å; Q1184-K1206 VanDerWaalsContact CB-O 3.28Å; Q1184-K1206 WeakPolarHBondContact CB-O 3.15Å; Q1184-K1206 PolarHBondContact N-O 2.84Å; Q1184-K1206 WeakPolarHBondContact O-CB 3.47Å; D1185-K1206 WeakPolarHBondContact O-CD 3.32Å; D1185-K1206 VanDerWaalsContact O-CE 3.25Å; D1185-K1206 WeakPolarHBondContact O-CE 3.09Å; D1185-K1206 PolarHBondContact O-NZ 3.26Å; F1202-K1206 PolarHBondContact O-N 3.06Å |
| 1207 | D | 57.5 | Low | 64.3 | Low | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 149.7 | 173.2 | -62.5 | -62.9 | 0 | 0 | 0 | 110.2 | R1181 H1182 Q1183 F1202 K1205 | R1181-D1207 HydrophobicContact CG-CB 4.23Å; R1181-D1207 IonicContact CZ-OD1 3.24Å; R1181-D1207 IonicContact CZ-OD2 3.31Å; R1181-D1207 IonicContact NE-OD1 3.18Å; R1181-D1207 PolarHBondContact NE-OD1 3.37Å; R1181-D1207 IonicContact NE-OD2 3.34Å; R1181-D1207 PolarHBondContact NE-OD2 2.82Å; R1181-D1207 VanDerWaalsContact NE-OD2 3.14Å; R1181-D1207 IonicContact NH2-OD1 3.89Å; R1181-D1207 PolarHBondContact NH2-OD1 2.03Å; R1181-D1207 IonicContact NH2-OD2 2.7Å; R1181-D1207 PolarHBondContact NH2-OD2 3.45Å; H1182-D1207 CarbonylContact O-C 3.19Å; H1182-D1207 VanDerWaalsContact O-CA 3.28Å; H1182-D1207 WeakPolarHBondContact O-CA 3.05Å; Q1183-D1207 PolarHBondContact NE2-OD1 3.45Å; F1202-D1207 HydrophobicContact CB-CB 4.31Å; F1202-D1207 PolarHBondContact N-O 3.4Å; K1205-D1207 VanDerWaalsContact C-N 3.3Å; K1205-D1207 HydrophobicContact CB-CB 4.31Å; K1205-D1207 WeakPolarHBondContact CB-OD2 3.49Å; K1205-D1207 VanDerWaalsContact CD-OD2 3.31Å; K1205-D1207 WeakPolarHBondContact CD-OD2 3.3Å |
| 1208 | I | 65.6 | Low | 63.9 | Low | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.2 | 163.7 | -44 | -159.7 | 0 | 0 | 0 | 108.3 | R1181 H1182 F1189 Y1191 Y1201 | R1181-I1208 CarbonylContact C-O 3.53Å; R1181-I1208 WeakPolarHBondContact CA-O 3.5Å; H1182-I1208 PolarHBondContact N-O 3.31Å; H1182-I1208 PolarHBondContact O-N 3.29Å; F1189-I1208 HydrophobicContact CB-CD1 3.72Å; F1189-I1208 HydrophobicContact CB-CG1 4.49Å; F1189-I1208 HydrophobicContact CD1-CD1 3.77Å; F1189-I1208 HydrophobicContact CG-CD1 3.92Å; Y1191-I1208 HydrophobicContact CE2-CD1 3.91Å; Y1201-I1208 HydrophobicContact CD2-CD1 3.62Å; Y1201-I1208 HydrophobicContact CD2-CG1 3.68Å; Y1201-I1208 HydrophobicContact CE2-CD1 3.79Å; Y1201-I1208 HydrophobicContact CE2-CG1 3.93Å |
| 1209 | L | 69.6 | Low | 63.3 | Low | 47 Ų | 47 | 49.2 Ų | 49.2 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.7 | 162.8 | -62.4 | -172.1 | 0 | 0 | 0 | 108 | T1179 M1180 R1181 G1199 V1200 F1202 | T1179-L1209 HydrophobicContact CG2-CB 3.7Å; T1179-L1209 HydrophobicContact CG2-CD1 4.01Å; T1179-L1209 HydrophobicContact CG2-CD2 4.19Å; T1179-L1209 HydrophobicContact CG2-CG 4.16Å; M1180-L1209 CarbonylContact O-C 3.36Å; M1180-L1209 WeakPolarHBondContact O-CA 3.47Å; R1181-L1209 HydrophobicContact CB-CD2 3.55Å; R1181-L1209 HydrophobicContact CG-CD2 3.87Å; G1199-L1209 CarbonylContact C-O 3.54Å; G1199-L1209 VanDerWaalsContact CA-O 3.23Å; G1199-L1209 WeakPolarHBondContact CA-O 3.21Å; V1200-L1209 HydrophobicContact CB-CB 4.31Å; V1200-L1209 PolarHBondContact N-O 3.01Å; V1200-L1209 PolarHBondContact O-N 2.99Å; F1202-L1209 HydrophobicContact CD2-CD1 4.43Å; F1202-L1209 HydrophobicContact CD2-CG 4.07Å; F1202-L1209 HydrophobicContact CE2-CB 4.31Å; F1202-L1209 HydrophobicContact CE2-CD1 3.55Å; F1202-L1209 HydrophobicContact CE2-CG 3.61Å; F1202-L1209 HydrophobicContact CZ-CD1 4.17Å |
| 1210 | L | 76 | Confident | 62.3 | Low | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.2 | 167.9 | -86.3 | 174.3 | 0 | 0 | 0 | 109.3 | T1179 M1180 F1189 Y1191 Y1212 I1359 | T1179-L1210 WeakPolarHBondContact CA-O 3.31Å; M1180-L1210 PolarHBondContact N-O 2.87Å; M1180-L1210 PolarHBondContact O-N 3.08Å; F1189-L1210 HydrophobicContact CE1-CD1 4.08Å; F1189-L1210 HydrophobicContact CZ-CD1 3.75Å; Y1191-L1210 HydrophobicContact CE1-CD2 4.36Å; Y1191-L1210 WeakPolarHBondContact OH-CD2 3.1Å; L1210-Y1212 HydrophobicContact CB-CE2 3.67Å; L1210-I1359 HydrophobicContact CD1-CD1 4.29Å |
| 1211 | D | 83.2 | Confident | 61.4 | Low | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.8 | -179.5 | -73.6 | -44.7 | 0 | 0 | 0 | 111 | K1166 K1177 T1179 | K1166-D1211 HydrophobicContact CB-CB 3.9Å; K1166-D1211 WeakPolarHBondContact CB-O 3.43Å; K1166-D1211 HydrophobicContact CD-CB 3.97Å; K1166-D1211 HydrophobicContact CG-CB 4.49Å; K1166-D1211 PolarHBondContact N-O 2.04Å; K1177-D1211 WeakPolarHBondContact CE-OD1 3.2Å; K1177-D1211 WeakPolarHBondContact CE-OD2 3.05Å; K1177-D1211 IonicContact NZ-OD1 2.63Å; K1177-D1211 PolarHBondContact NZ-OD1 3.06Å; K1177-D1211 IonicContact NZ-OD2 3.01Å; K1177-D1211 PolarHBondContact NZ-OD2 2.81Å; T1179-D1211 WeakPolarHBondContact CB-OD1 2.98Å; T1179-D1211 VanDerWaalsContact CG2-OD1 3.3Å; T1179-D1211 WeakPolarHBondContact CG2-OD1 3.04Å; T1179-D1211 PolarHBondContact OG1-OD1 3.41Å |
| 1212 | Y | 88.2 | Confident | 60.6 | Low | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.2 | -174.9 | -63.5 | -86.7 | 0 | 0 | 0 | 110.2 | I1164 K1177 A1178 M1180 L1210 L1241 P1291 I1293 | I1164-Y1212 CarbonylContact O-C 3.56Å; I1164-Y1212 WeakPolarHBondContact O-CA 3.22Å; K1177-Y1212 WeakPolarHBondContact CA-O 3.42Å; A1178-Y1212 PolarHBondContact N-O 2.84Å; A1178-Y1212 PolarHBondContact O-N 2.91Å; M1180-Y1212 HydrophobicContact CB-CD2 4.32Å; M1180-Y1212 HydrophobicContact CB-CE2 3.85Å; L1210-Y1212 HydrophobicContact CB-CE2 3.67Å; Y1212-L1241 HydrophobicContact CD1-CD1 3.65Å; Y1212-L1241 HydrophobicContact CE1-CD1 3.39Å; Y1212-P1291 HydrophobicContact CD2-CG 4.14Å; Y1212-P1291 HydrophobicContact CG-CG 4.09Å; Y1212-I1293 HydrophobicContact CE1-CD1 4.41Å; Y1212-I1293 HydrophobicContact CE2-CD1 3.96Å |
| 1213 | C | 87.8 | Confident | 59.7 | Low | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.5 | 173 | -51.9 | 0 | 0 | 0 | 0 | 107.8 | A1163 I1164 C1171 F1215 | A1163-C1213 CarbonylContact C-O 3.5Å; A1163-C1213 VanDerWaalsContact CA-O 3.23Å; A1163-C1213 WeakPolarHBondContact CA-O 3.38Å; I1164-C1213 HydrophobicContact CG1-CB 3.87Å; I1164-C1213 PolarHBondContact N-O 2.65Å; I1164-C1213 PolarHBondContact O-N 2.87Å; C1171-C1213 WeakPolarHBondContact CA-SG 3.37Å; C1171-C1213 HydrophobicContact CB-CB 3.76Å; C1171-C1213 WeakPolarHBondContact CB-SG 3.48Å; C1171-C1213 WeakPolarHBondContact SG-CA 3.24Å; C1171-C1213 WeakPolarHBondContact SG-CB 3.32Å; C1171-C1213 CovalentContact SG-SG 2.04Å; C1171-C1213 PolarHBondContact SG-SG 2.99Å; C1213-F1215 HydrophobicContact CB-CE2 4.41Å |
| 1214 | V | 88.2 | Confident | 59.2 | Low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.9 | -171.8 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | A1163 S1175 V1176 A1178 T1216 V1243 A1289 | A1163-V1214 HydrophobicContact CB-CB 4.41Å; A1163-V1214 HydrophobicContact CB-CG2 3.94Å; S1175-V1214 CarbonylContact C-O 3.44Å; S1175-V1214 VanDerWaalsContact CA-O 3.28Å; S1175-V1214 WeakPolarHBondContact CA-O 3.31Å; S1175-V1214 WeakPolarHBondContact CB-O 2.99Å; V1176-V1214 PolarHBondContact N-O 3.34Å; V1176-V1214 WeakPolarHBondContact O-CB 3.43Å; V1176-V1214 PolarHBondContact O-N 2.98Å; A1178-V1214 HydrophobicContact CB-CG2 3.46Å; A1178-V1214 VanDerWaalsContact CB-CG2 3.46Å; V1214-T1216 HydrophobicContact CG1-CG2 4.27Å; V1214-V1243 HydrophobicContact CG1-CB 4.48Å; V1214-V1243 HydrophobicContact CG1-CG1 3.84Å; V1214-V1243 HydrophobicContact CG1-CG2 3.78Å; V1214-A1289 HydrophobicContact CG1-CB 3.62Å |
| 1215 | F | 85.8 | Confident | 58.4 | Low | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 143 | 174.2 | -58.7 | -97.8 | 0 | 0 | 0 | 108.8 | W1157 S1160 Y1162 I1164 P1172 C1213 | W1157-F1215 HydrophobicContact CB-CD1 4.07Å; W1157-F1215 HydrophobicContact CB-CE1 3.39Å; W1157-F1215 HydrophobicContact CB-CZ 4.13Å; W1157-F1215 AromaticContact CD2-CE1 3.98Å; W1157-F1215 HydrophobicContact CD2-CE1 3.98Å; W1157-F1215 AromaticContact CD2-CZ 3.77Å; W1157-F1215 HydrophobicContact CD2-CZ 3.77Å; W1157-F1215 HydrophobicContact CE3-CE1 4.05Å; W1157-F1215 HydrophobicContact CE3-CE2 4.22Å; W1157-F1215 AromaticContact CE3-CZ 3.64Å; W1157-F1215 HydrophobicContact CE3-CZ 3.64Å; W1157-F1215 AromaticContact CG-CE1 3.72Å; W1157-F1215 HydrophobicContact CG-CE1 3.72Å; W1157-F1215 AromaticContact CG-CZ 3.98Å; W1157-F1215 HydrophobicContact CG-CZ 3.98Å; W1157-F1215 HydrophobicContact CZ3-CZ 4.3Å; S1160-F1215 CarbonylContact O-C 3.48Å; S1160-F1215 VanDerWaalsContact O-CB 3.27Å; S1160-F1215 WeakPolarHBondContact O-CB 3.44Å; Y1162-F1215 HydrophobicContact CD1-CB 4.1Å; Y1162-F1215 AromaticContact CD2-CD2 3.79Å; Y1162-F1215 HydrophobicContact CD2-CD2 3.79Å; Y1162-F1215 HydrophobicContact CD2-CE2 4.41Å; Y1162-F1215 HydrophobicContact CD2-CG 4.47Å; Y1162-F1215 HydrophobicContact CE1-CB 3.64Å; Y1162-F1215 HydrophobicContact CE1-CD2 4.21Å; Y1162-F1215 AromaticContact CE1-CG 3.96Å; Y1162-F1215 HydrophobicContact CE1-CG 3.96Å; Y1162-F1215 HydrophobicContact CE2-CB 4.18Å; Y1162-F1215 AromaticContact CE2-CD2 3.16Å; Y1162-F1215 HydrophobicContact CE2-CD2 3.16Å; Y1162-F1215 AromaticContact CE2-CE2 3.56Å; Y1162-F1215 HydrophobicContact CE2-CE2 3.56Å; Y1162-F1215 AromaticContact CE2-CG 3.75Å; Y1162-F1215 HydrophobicContact CE2-CG 3.75Å; Y1162-F1215 HydrophobicContact CE2-CZ 4.41Å; Y1162-F1215 AromaticContact CZ-CD2 3.39Å; Y1162-F1215 AromaticContact CZ-CE2 3.96Å; Y1162-F1215 AromaticContact CZ-CG 3.42Å; Y1162-F1215 VanDerWaalsContact CZ-CG 3.42Å; Y1162-F1215 PolarHBondContact N-O 3.34Å; Y1162-F1215 PolarHBondContact O-N 2.93Å; Y1162-F1215 WeakPolarHBondContact OH-CD1 3.14Å; Y1162-F1215 WeakPolarHBondContact OH-CG 3.46Å; I1164-F1215 HydrophobicContact CD1-CE2 4.01Å; I1164-F1215 HydrophobicContact CD1-CZ 4.41Å; I1164-F1215 HydrophobicContact CG1-CE2 4.1Å; P1172-F1215 HydrophobicContact CB-CZ 4.22Å; P1172-F1215 HydrophobicContact CG-CZ 4.28Å; C1213-F1215 HydrophobicContact CB-CE2 4.41Å |
| 1216 | T | 73.5 | Confident | 57.4 | Low | 11 Ų | 11 | 71 Ų | 71 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | trans | -159.7 | 146.1 | -177.7 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | V1159 S1160 V1214 D1218 V1243 A1289 | V1159-T1216 WeakPolarHBondContact CG1-O 3.46Å; S1160-T1216 PolarHBondContact O-N 2.79Å; V1214-T1216 HydrophobicContact CG1-CG2 4.27Å; T1216-D1218 VanDerWaalsContact C-N 3.3Å; T1216-D1218 PolarHBondContact O-N 2.83Å; T1216-V1243 HydrophobicContact CG2-CG1 4.04Å; T1216-A1289 HydrophobicContact CG2-CB 3.4Å; T1216-A1289 VanDerWaalsContact CG2-CB 3.4Å | ||
| 1217 | D | 66.3 | Low | 56.2 | Low | 86 Ų | 86 | 77 Ų | 77 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -24.8 | 179.6 | -50.8 | -62.9 | 0 | 0 | 0 | 114.1 | N1161 Q1219 | N1161-D1217 PolarHBondContact ND2-OD2 3.1Å; D1217-Q1219 PolarHBondContact O-N 3.25Å |
| 1218 | D | 56 | Low | 54.7 | Low | 132 Ų | 132 | 80.9 Ų | 80.9 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 4.7 | -177 | -77.9 | -18.4 | 0 | 0 | 0 | 115.1 | T1216 T1220 | T1216-D1218 VanDerWaalsContact C-N 3.3Å; T1216-D1218 PolarHBondContact O-N 2.83Å; D1218-T1220 PolarHBondContact O-N 3.24Å; D1218-T1220 PolarHBondContact O-OG1 2.7Å |
| 1219 | Q | 46.3 | Very low | 53 | Low | 93 Ų | 93 | 83.8 Ų | 83.8 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | trans | -67.7 | 79.4 | 168.3 | -80.8 | -76.9 | 0.2 | 0 | 0 | 110.5 | V1176 D1217 A1221 | V1176-Q1219 VanDerWaalsContact CG2-NE2 3.31Å; D1217-Q1219 PolarHBondContact O-N 3.25Å; Q1219-A1221 PolarHBondContact O-N 3.18Å | ||
| 1220 | T | 33.3 | Very low | 51.6 | Low | 137 Ų | 137 | 91 Ų | 91 | 84% | 0.84 | 51% | 0.506 | S | S | * | . | trans | -70.3 | 33 | -179.5 | 39.4 | 0 | 0 | 0 | 0 | 114.3 | D1218 H1222 | D1218-T1220 PolarHBondContact O-N 3.24Å; D1218-T1220 PolarHBondContact O-OG1 2.7Å; T1220-H1222 PolarHBondContact O-N 2.84Å | ||
| 1221 | A | 33.3 | Very low | 50.6 | Low | 77 Ų | 77 | 95.2 Ų | 95.2 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | trans | -76.1 | 80.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1219 | Q1219-A1221 PolarHBondContact O-N 3.18Š| ||
| 1222 | H | 32 | Very low | 49.8 | Very low | 168 Ų | 168 | 98.2 Ų | 98.2 | 78% | 0.778 | 55% | 0.548 | S | S | * | . | trans | 39.8 | 88.9 | 161 | -70.4 | -71.5 | 0 | 0 | 0 | 117.1 | T1220 T1224 | T1220-H1222 PolarHBondContact O-N 2.84Å; H1222-T1224 PolarHBondContact O-N 2.84Å | ||
| 1223 | R | 26.9 | Very low | 49.3 | Very low | 263 Ų | 263 | 98.1 Ų | 98.1 | 99% | 0.992 | 55% | 0.547 | S | S | * | . | trans | -55 | 101.1 | 162.4 | -72.8 | -177.2 | 175.4 | -174.6 | -1.6 | 111 | ||||
| 1224 | T | 28.1 | Very low | 48.9 | Very low | 131 Ų | 131 | 98.9 Ų | 98.9 | 80% | 0.804 | 55% | 0.552 | S | S | * | * | trans | -131.5 | 100.3 | 169.8 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | H1222 | H1222-T1224 PolarHBondContact O-N 2.84Š| ||
| 1225 | G | 27.1 | Very low | 48.4 | Very low | 57 Ų | 57 | 100.7 Ų | 100.7 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 98.5 | 73 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y1227 | G1225-Y1227 VanDerWaalsContact C-N 3.28Å; G1225-Y1227 WeakPolarHBondContact O-CD2 3.46Å; G1225-Y1227 PolarHBondContact O-N 2.89Å |
| 1226 | N | 27.1 | Very low | 48.3 | Very low | 174 Ų | 174 | 100.6 Ų | 100.6 | 93% | 0.93 | 57% | 0.567 | S | S | * | * | 50.7 | 9.2 | 129.4 | -124.9 | 50.1 | 0 | 0 | 0 | 122.9 | G1228 | N1226-G1228 PolarHBondContact O-N 2.93Å; N1226-G1228 VanDerWaalsContact O-N 3.14Å | |||
| 1227 | Y | 28.4 | Very low | 48.8 | Very low | 217 Ų | 217 | 101.7 Ų | 101.7 | 85% | 0.851 | 57% | 0.571 | S | S | * | * | trans | -80.7 | 88.4 | 167.7 | -77.8 | -85.4 | 0 | 0 | 0 | 109.9 | G1225 | G1225-Y1227 VanDerWaalsContact C-N 3.28Å; G1225-Y1227 WeakPolarHBondContact O-CD2 3.46Å; G1225-Y1227 PolarHBondContact O-N 2.89Å | ||
| 1228 | G | 25.5 | Very low | 50 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 89% | 0.887 | 55% | 0.549 | S | S | * | . | trans | -88.9 | 101.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1226 | N1226-G1228 PolarHBondContact O-N 2.93Å; N1226-G1228 VanDerWaalsContact O-N 3.14Å | ||
| 1229 | G | 31 | Very low | 51.7 | Low | 63 Ų | 63 | 91.3 Ų | 91.3 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | trans | -158.5 | 130.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1231 | G1229-E1231 VanDerWaalsContact C-N 3.28Å; G1229-E1231 PolarHBondContact O-N 3.23Å | ||
| 1230 | E | 40.1 | Very low | 53.9 | Low | 197 Ų | 197 | 86.9 Ų | 86.9 | 92% | 0.921 | 50% | 0.495 | S | S | * | . | trans | -77.2 | 83.4 | 172.8 | -66.5 | 175.3 | 141.2 | 0 | 0 | 108.2 | S1232 | E1230-S1232 VanDerWaalsContact C-N 3.25Å; E1230-S1232 PolarHBondContact O-N 2.97Å | ||
| 1231 | E | 53.5 | Low | 56.7 | Low | 94 Ų | 94 | 80.4 Ų | 80.4 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | trans | -67.6 | 87.7 | 171 | -67.1 | -167.2 | 134.2 | 0 | 0 | 108.6 | P1158 G1229 | P1158-E1231 WeakPolarHBondContact CA-O 3.44Å; P1158-E1231 WeakPolarHBondContact CB-O 2.96Å; P1158-E1231 HydrophobicContact CG-CB 4.46Å; G1229-E1231 VanDerWaalsContact C-N 3.28Å; G1229-E1231 PolarHBondContact O-N 3.23Å | ||
| 1232 | S | 67.9 | Low | 59.5 | Low | 69 Ų | 69 | 78 Ų | 78 | 48% | 0.483 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 160 | 167.5 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | P1158 E1230 | P1158-S1232 VanDerWaalsContact CG-O 3.27Å; P1158-S1232 WeakPolarHBondContact CG-O 3.39Å; E1230-S1232 VanDerWaalsContact C-N 3.25Å; E1230-S1232 PolarHBondContact O-N 2.97Å |
| 1233 | L | 77.4 | Confident | 62.1 | Low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 131.2 | 171.7 | -90.8 | 178.7 | 0 | 0 | 0 | 109.8 | W1157 P1158 Y1162 V1240 P1248 F1251 R1317 F1330 | W1157-L1233 HydrophobicContact CE3-CD2 4.49Å; W1157-L1233 HydrophobicContact CZ3-CD2 4.39Å; P1158-L1233 HydrophobicContact CB-CD2 4.16Å; P1158-L1233 HydrophobicContact CB-CG 4.07Å; P1158-L1233 HydrophobicContact CG-CD2 4.26Å; Y1162-L1233 HydrophobicContact CD1-CD1 3.62Å; Y1162-L1233 HydrophobicContact CD1-CG 4.25Å; Y1162-L1233 HydrophobicContact CD2-CD1 3.78Å; Y1162-L1233 HydrophobicContact CE1-CD1 3.64Å; Y1162-L1233 HydrophobicContact CE1-CD2 4.27Å; Y1162-L1233 HydrophobicContact CE1-CG 3.79Å; Y1162-L1233 HydrophobicContact CE2-CD1 3.78Å; Y1162-L1233 HydrophobicContact CE2-CD2 4.04Å; Y1162-L1233 HydrophobicContact CE2-CG 4.26Å; Y1162-L1233 HydrophobicContact CG-CD1 3.71Å; L1233-V1240 HydrophobicContact CD1-CG1 4.05Å; L1233-V1240 HydrophobicContact CD1-CG2 4.33Å; L1233-P1248 HydrophobicContact CD1-CG 4.46Å; L1233-F1251 HydrophobicContact CB-CE2 3.75Å; L1233-F1251 HydrophobicContact CB-CZ 3.82Å; L1233-F1251 HydrophobicContact CD1-CE2 3.76Å; L1233-F1251 HydrophobicContact CD1-CZ 3.5Å; L1233-F1251 HydrophobicContact CG-CE2 4.43Å; L1233-F1251 HydrophobicContact CG-CZ 4.33Å; L1233-R1317 PolarHBondContact O-NH1 2.79Å; L1233-F1330 HydrophobicContact CD2-CE1 3.7Å; L1233-F1330 HydrophobicContact CD2-CZ 4.12Å |
| 1234 | P | 79.5 | Confident | 64.8 | Low | 17 Ų | 17 | 61.3 Ų | 61.3 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 153.4 | -170.7 | 28.4 | -36.5 | 0 | 0 | 0 | 112.4 | Y1238 D1328 F1330 | P1234-Y1238 WeakPolarHBondContact O-CE1 2.99Å; P1234-Y1238 PolarHBondContact O-OH 2.87Å; P1234-D1328 VanDerWaalsContact CB-O 3.23Å; P1234-D1328 WeakPolarHBondContact CB-O 3.3Å; P1234-F1330 HydrophobicContact CG-CD1 4.19Å; P1234-F1330 HydrophobicContact CG-CD2 3.5Å; P1234-F1330 VanDerWaalsContact CG-CD2 3.5Å; P1234-F1330 HydrophobicContact CG-CE1 4.07Å; P1234-F1330 HydrophobicContact CG-CE2 3.4Å; P1234-F1330 HydrophobicContact CG-CG 3.92Å; P1234-F1330 HydrophobicContact CG-CZ 3.69Å |
| 1235 | A | 77.2 | Confident | 67.1 | Low | 38 Ų | 38 | 56.5 Ų | 56.5 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -55.6 | 138.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1319 I1327 | A1235-D1319 WeakPolarHBondContact CA-OD1 3.25Å; A1235-D1319 WeakPolarHBondContact CA-OD2 3.08Å; A1235-D1319 HydrophobicContact CB-CB 4.49Å; A1235-D1319 WeakPolarHBondContact CB-OD2 3.16Å; A1235-I1327 WeakPolarHBondContact O-CD1 3.44Å; A1235-I1327 WeakPolarHBondContact O-CG2 3.21Å |
| 1236 | G | 83.4 | Confident | 69.7 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -177.5 | -177.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1317 T1318 D1319 | G1236-R1317 CarbonylContact O-C 3.53Å; G1236-R1317 VanDerWaalsContact O-C 3.23Å; G1236-R1317 VanDerWaalsContact O-O 3.1Å; G1236-T1318 CarbonylContact O-C 3.47Å; G1236-T1318 WeakPolarHBondContact O-CA 3.45Å; G1236-T1318 PolarHBondContact O-N 2.83Å; G1236-D1319 PolarHBondContact N-OD1 3.19Å; G1236-D1319 PolarHBondContact O-N 2.97Å; G1236-D1319 VanDerWaalsContact O-OD1 3.11Å |
| 1237 | H | 83.7 | Confident | 72.4 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 82 | 168.4 | -69.6 | 87.7 | 0 | 0 | 0 | 110.2 | R1317 S1320 V1323 Q1347 | H1237-R1317 WeakPolarHBondContact CA-O 3.32Å; H1237-S1320 PolarHBondContact CE1-O 2.87Å; H1237-S1320 VanDerWaalsContact ND1-CB 3.25Å; H1237-S1320 WeakPolarHBondContact ND1-CB 2.99Å; H1237-V1323 HydrophobicContact CB-CG1 3.57Å; H1237-Q1347 HydrophobicContact CB-CB 4.36Å; H1237-Q1347 PolarHBondContact ND1-OE1 3.18Å |
| 1238 | Y | 92 | Very high | 75 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 163 | -178.5 | 64.4 | -86.3 | 0 | 0 | 0 | 112.3 | P1234 V1240 F1251 C1316 R1317 I1327 F1330 L1339 Y1340 V1342 | P1234-Y1238 WeakPolarHBondContact O-CE1 2.99Å; P1234-Y1238 PolarHBondContact O-OH 2.87Å; Y1238-V1240 HydrophobicContact CD2-CG1 4.15Å; Y1238-V1240 HydrophobicContact CE2-CG1 3.99Å; Y1238-F1251 HydrophobicContact CD2-CE1 4.21Å; Y1238-F1251 AromaticContact CE2-CE1 3.69Å; Y1238-F1251 HydrophobicContact CE2-CE1 3.69Å; Y1238-F1251 AromaticContact CE2-CZ 3.68Å; Y1238-F1251 HydrophobicContact CE2-CZ 3.68Å; Y1238-F1251 AromaticContact CZ-CZ 3.9Å; Y1238-C1316 WeakPolarHBondContact O-CA 3.37Å; Y1238-R1317 HydrophobicContact CD1-CG 4.5Å; Y1238-R1317 HydrophobicContact CE1-CG 4.16Å; Y1238-R1317 PolarHBondContact N-O 3.31Å; Y1238-R1317 VanDerWaalsContact N-O 3.09Å; Y1238-R1317 PolarHBondContact O-N 3.01Å; Y1238-I1327 HydrophobicContact CE1-CD1 4.43Å; Y1238-F1330 HydrophobicContact CE1-CE2 4.11Å; Y1238-F1330 HydrophobicContact CE1-CZ 4.13Å; Y1238-F1330 HydrophobicContact CE2-CZ 4.06Å; Y1238-F1330 AromaticContact CZ-CZ 3.68Å; Y1238-L1339 HydrophobicContact CD1-CD1 4.15Å; Y1238-L1339 HydrophobicContact CD2-CB 4.24Å; Y1238-L1339 HydrophobicContact CD2-CD1 3.93Å; Y1238-L1339 HydrophobicContact CD2-CD2 3.91Å; Y1238-L1339 HydrophobicContact CD2-CG 4.25Å; Y1238-L1339 HydrophobicContact CE2-CD1 4.36Å; Y1238-L1339 HydrophobicContact CE2-CD2 4.13Å; Y1238-L1339 HydrophobicContact CG-CB 4.33Å; Y1238-L1339 HydrophobicContact CG-CD1 3.82Å; Y1238-L1339 HydrophobicContact CG-CG 4.48Å; Y1238-Y1340 CarbonylContact C-O 3.54Å; Y1238-Y1340 VanDerWaalsContact CA-O 3.24Å; Y1238-Y1340 WeakPolarHBondContact CA-O 2.96Å; Y1238-Y1340 WeakPolarHBondContact CB-O 3.44Å; Y1238-V1342 VanDerWaalsContact C-CG2 3.45Å |
| 1239 | C | 92.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 158 | 162.5 | -40.8 | 0 | 0 | 0 | 0 | 112.2 | F1314 C1315 C1316 Y1340 V1342 | C1239-F1314 HydrophobicContact CB-CB 4.36Å; C1239-F1314 HydrophobicContact CB-CD1 4.18Å; C1239-C1315 CarbonylContact C-O 3.45Å; C1239-C1315 WeakPolarHBondContact CA-O 3.32Å; C1239-C1315 WeakPolarHBondContact CB-O 3.33Å; C1239-C1316 HydrophobicContact CB-CB 3.95Å; C1239-C1316 WeakPolarHBondContact CB-SG 3.34Å; C1239-C1316 WeakPolarHBondContact SG-CB 3.41Å; C1239-C1316 CovalentContact SG-SG 2.03Å; C1239-C1316 PolarHBondContact SG-SG 2.99Å; C1239-Y1340 PolarHBondContact N-O 3.12Å; C1239-Y1340 WeakPolarHBondContact O-CB 3.23Å; C1239-Y1340 PolarHBondContact O-N 3.41Å; C1239-V1342 HydrophobicContact CB-CG2 4.42Å; C1239-V1342 WeakPolarHBondContact SG-CG2 3.49Å |
| 1240 | V | 93 | Very high | 79.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 165.5 | 159.6 | -62.2 | 0 | 0 | 0 | 0 | 107.9 | Y1162 I1164 L1233 Y1238 F1251 F1314 C1315 L1339 | Y1162-V1240 HydrophobicContact CD2-CB 3.99Å; Y1162-V1240 HydrophobicContact CD2-CG1 3.87Å; Y1162-V1240 HydrophobicContact CD2-CG2 4.25Å; Y1162-V1240 HydrophobicContact CG-CB 4.33Å; Y1162-V1240 HydrophobicContact CG-CG2 4.1Å; I1164-V1240 HydrophobicContact CG2-CB 4.49Å; I1164-V1240 HydrophobicContact CG2-CG1 3.91Å; L1233-V1240 HydrophobicContact CD1-CG1 4.05Å; L1233-V1240 HydrophobicContact CD1-CG2 4.33Å; Y1238-V1240 HydrophobicContact CD2-CG1 4.15Å; Y1238-V1240 HydrophobicContact CE2-CG1 3.99Å; V1240-F1251 HydrophobicContact CG2-CD1 4.39Å; V1240-F1251 HydrophobicContact CG2-CE1 4.04Å; V1240-F1251 HydrophobicContact CG2-CZ 4.33Å; V1240-F1314 WeakPolarHBondContact O-CA 3.14Å; V1240-C1315 HydrophobicContact CG2-CB 3.88Å; V1240-C1315 PolarHBondContact N-O 3.39Å; V1240-C1315 PolarHBondContact O-N 3.35Å; V1240-L1339 HydrophobicContact CG1-CD2 4.38Å |
| 1241 | L | 92.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 144.4 | 167.1 | -76 | 163.9 | 0 | 0 | 0 | 109.6 | Y1162 A1163 Y1212 P1291 I1293 Y1312 F1314 Y1340 | Y1162-L1241 CarbonylContact C-O 3.59Å; Y1162-L1241 VanDerWaalsContact CA-O 3.32Å; Y1162-L1241 WeakPolarHBondContact CA-O 3.34Å; A1163-L1241 HydrophobicContact CB-CB 4.22Å; A1163-L1241 PolarHBondContact N-O 3.41Å; A1163-L1241 PolarHBondContact O-N 3.14Å; Y1212-L1241 HydrophobicContact CD1-CD1 3.65Å; Y1212-L1241 HydrophobicContact CE1-CD1 3.39Å; L1241-P1291 HydrophobicContact CB-CB 4.04Å; L1241-P1291 HydrophobicContact CD1-CB 4.01Å; L1241-I1293 HydrophobicContact CD1-CD1 4.02Å; L1241-I1293 HydrophobicContact CD1-CG1 4.43Å; L1241-I1293 HydrophobicContact CD2-CG1 4.44Å; L1241-Y1312 HydrophobicContact CD2-CD1 4.13Å; L1241-F1314 HydrophobicContact CD2-CD1 3.79Å; L1241-F1314 HydrophobicContact CD2-CE1 3.61Å; L1241-F1314 HydrophobicContact CD2-CG 4.41Å; L1241-F1314 HydrophobicContact CD2-CZ 4.11Å; L1241-F1314 HydrophobicContact CG-CD1 4.32Å; L1241-F1314 HydrophobicContact CG-CE1 4.15Å; L1241-Y1340 HydrophobicContact CD1-CE2 4.06Å; L1241-Y1340 WeakPolarHBondContact CD1-OH 2.96Å; L1241-Y1340 HydrophobicContact CG-CE2 3.81Å |
| 1242 | R | 92.2 | Very high | 83.2 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 151.7 | 172.2 | -164.2 | 166 | 69.5 | -168.2 | -18.8 | 110.7 | G1245 N1246 E1253 P1291 D1292 H1313 C1315 | R1242-G1245 VanDerWaalsContact CD-C 3.45Å; R1242-G1245 WeakPolarHBondContact CD-O 3.31Å; R1242-G1245 VanDerWaalsContact NE-C 3.34Å; R1242-G1245 PolarHBondContact NE-O 2.9Å; R1242-G1245 VanDerWaalsContact NE-O 3.12Å; R1242-G1245 PolarHBondContact NH1-O 2.82Å; R1242-N1246 VanDerWaalsContact CD-C 3.46Å; R1242-N1246 VanDerWaalsContact CG-O 3.31Å; R1242-N1246 WeakPolarHBondContact CG-O 3.44Å; R1242-E1253 IonicContact CZ-OE1 3.65Å; R1242-E1253 VanDerWaalsContact CZ-OE1 3.32Å; R1242-E1253 IonicContact CZ-OE2 2.62Å; R1242-E1253 IonicContact NH1-OE1 2.69Å; R1242-E1253 PolarHBondContact NH1-OE1 2.95Å; R1242-E1253 VanDerWaalsContact NH1-OE1 3.16Å; R1242-E1253 IonicContact NH1-OE2 3.35Å; R1242-E1253 PolarHBondContact NH1-OE2 2.92Å; R1242-E1253 IonicContact NH2-OE1 2.73Å; R1242-E1253 PolarHBondContact NH2-OE1 3.44Å; R1242-E1253 IonicContact NH2-OE2 2.68Å; R1242-P1291 CarbonylContact O-C 3.58Å; R1242-P1291 WeakPolarHBondContact O-CA 3.38Å; R1242-D1292 HydrophobicContact CB-CB 4.11Å; R1242-D1292 WeakPolarHBondContact CG-OD2 3.4Å; R1242-D1292 IonicContact CZ-OD2 3.55Å; R1242-D1292 IonicContact NE-OD2 3.78Å; R1242-D1292 PolarHBondContact NE-OD2 2.92Å; R1242-D1292 IonicContact NH2-OD2 2.7Å; R1242-D1292 PolarHBondContact O-N 2.8Å; R1242-H1313 HydrophobicContact CB-CB 4.18Å; R1242-H1313 PolarHBondContact N-O 2.98Å; R1242-H1313 VanDerWaalsContact NH2-CG 3.35Å; R1242-H1313 PolarHBondContact NH2-ND1 3.05Å; R1242-C1315 WeakPolarHBondContact CB-SG 3.43Å |
| 1243 | V | 86.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -134 | 147.1 | 171.8 | 176.8 | 0 | 0 | 0 | 0 | 107.3 | N1161 A1163 V1214 T1216 G1245 A1289 | N1161-V1243 HydrophobicContact CB-CB 4.23Å; A1163-V1243 HydrophobicContact CB-CG2 3.79Å; V1214-V1243 HydrophobicContact CG1-CB 4.48Å; V1214-V1243 HydrophobicContact CG1-CG1 3.84Å; V1214-V1243 HydrophobicContact CG1-CG2 3.78Å; T1216-V1243 HydrophobicContact CG2-CG1 4.04Å; V1243-G1245 PolarHBondContact O-N 3.04Å; V1243-G1245 VanDerWaalsContact O-N 3.11Å; V1243-A1289 HydrophobicContact CG1-CB 4.24Å |
| 1244 | N | 82 | Confident | 84.6 | Confident | 81 Ų | 81 | 35.6 Ų | 35.6 | 43% | 0.433 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 26.7 | 175.4 | -62.8 | -23.9 | 0 | 0 | 0 | 114.5 | N1161 N1246 D1292 | N1161-N1244 HydrophobicContact CB-CB 4.48Å; N1161-N1244 PolarHBondContact OD1-ND2 2.76Å; N1244-N1246 PolarHBondContact O-N 3.43Å; N1244-N1246 VanDerWaalsContact O-N 3.14Å; N1244-D1292 PolarHBondContact N-OD1 3.1Å |
| 1245 | G | 77.2 | Confident | 85 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 32% | 0.32 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -13.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117 | R1242 V1243 D1292 | R1242-G1245 VanDerWaalsContact CD-C 3.45Å; R1242-G1245 WeakPolarHBondContact CD-O 3.31Å; R1242-G1245 VanDerWaalsContact NE-C 3.34Å; R1242-G1245 PolarHBondContact NE-O 2.9Å; R1242-G1245 VanDerWaalsContact NE-O 3.12Å; R1242-G1245 PolarHBondContact NH1-O 2.82Å; V1243-G1245 PolarHBondContact O-N 3.04Å; V1243-G1245 VanDerWaalsContact O-N 3.11Å; G1245-D1292 VanDerWaalsContact CA-OD2 3.28Å; G1245-D1292 WeakPolarHBondContact CA-OD2 3.15Å; G1245-D1292 PolarHBondContact N-OD1 2.85Å; G1245-D1292 PolarHBondContact N-OD2 3.41Å |
| 1246 | N | 80.7 | Confident | 85.6 | Confident | 125 Ų | 125 | 34.5 Ų | 34.5 | 67% | 0.668 | 20% | 0.201 | S | C | * | . | B | Isolated β-bridge | trans | -118 | 138.7 | 179.6 | -72.4 | -22.5 | 0 | 0 | 0 | 110.9 | R1242 N1244 | R1242-N1246 VanDerWaalsContact CD-C 3.46Å; R1242-N1246 VanDerWaalsContact CG-O 3.31Å; R1242-N1246 WeakPolarHBondContact CG-O 3.44Å; N1244-N1246 PolarHBondContact O-N 3.43Å; N1244-N1246 VanDerWaalsContact O-N 3.14Å |
| 1247 | C | 85.8 | Confident | 85.6 | Confident | 37 Ų | 37 | 34.8 Ų | 34.8 | 25% | 0.25 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 155 | 172.3 | -75.1 | 0 | 0 | 0 | 0 | 111.1 | F1251 C1315 | C1247-F1251 HydrophobicContact CB-CB 4.16Å; C1247-C1315 WeakPolarHBondContact CA-SG 3.39Å; C1247-C1315 HydrophobicContact CB-CB 3.78Å; C1247-C1315 WeakPolarHBondContact CB-SG 3.46Å; C1247-C1315 VanDerWaalsContact SG-CA 3.58Å; C1247-C1315 WeakPolarHBondContact SG-CB 3.43Å; C1247-C1315 CovalentContact SG-SG 2.04Å; C1247-C1315 PolarHBondContact SG-SG 3.25Å |
| 1248 | P | 82.8 | Confident | 85.4 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 158.6 | 162.8 | -19 | 31.4 | 0 | 0 | 0 | 111.2 | S1160 Y1162 L1233 F1251 | S1160-P1248 WeakPolarHBondContact OG-CB 3.18Å; Y1162-P1248 HydrophobicContact CD1-CG 3.91Å; Y1162-P1248 HydrophobicContact CG-CG 4.22Å; L1233-P1248 HydrophobicContact CD1-CG 4.46Å; P1248-F1251 HydrophobicContact CB-CD2 3.72Å; P1248-F1251 HydrophobicContact CB-CE2 3.88Å; P1248-F1251 HydrophobicContact CG-CD2 4.17Å; P1248-F1251 HydrophobicContact CG-CE2 4.26Å; P1248-F1251 PolarHBondContact O-N 2.92Å |
| 1249 | A | 76.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 33.8 Ų | 33.8 | 55% | 0.554 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 146.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1251 | A1249-F1251 VanDerWaalsContact O-CD2 3.27Å; A1249-F1251 WeakPolarHBondContact O-CD2 3.38Å; A1249-F1251 PolarHBondContact O-N 3.02Å |
| 1250 | D | 75.7 | Confident | 83.3 | Confident | 120 Ų | 120 | 34.3 Ų | 34.3 | 64% | 0.642 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 0.8 | -177.2 | -46.5 | -38.9 | 0 | 0 | 0 | 117.3 | R1317 | D1250-R1317 IonicContact OD2-NH2 3.13Å; D1250-R1317 PolarHBondContact OD2-NH2 2.86Å |
| 1251 | F | 86.1 | Confident | 81.7 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -93.2 | 140.8 | 173.2 | -67.4 | -100.3 | 0 | 0 | 0 | 113 | L1233 Y1238 V1240 C1247 P1248 A1249 C1315 R1317 | L1233-F1251 HydrophobicContact CB-CE2 3.75Å; L1233-F1251 HydrophobicContact CB-CZ 3.82Å; L1233-F1251 HydrophobicContact CD1-CE2 3.76Å; L1233-F1251 HydrophobicContact CD1-CZ 3.5Å; L1233-F1251 HydrophobicContact CG-CE2 4.43Å; L1233-F1251 HydrophobicContact CG-CZ 4.33Å; Y1238-F1251 HydrophobicContact CD2-CE1 4.21Å; Y1238-F1251 AromaticContact CE2-CE1 3.69Å; Y1238-F1251 HydrophobicContact CE2-CE1 3.69Å; Y1238-F1251 AromaticContact CE2-CZ 3.68Å; Y1238-F1251 HydrophobicContact CE2-CZ 3.68Å; Y1238-F1251 AromaticContact CZ-CZ 3.9Å; V1240-F1251 HydrophobicContact CG2-CD1 4.39Å; V1240-F1251 HydrophobicContact CG2-CE1 4.04Å; V1240-F1251 HydrophobicContact CG2-CZ 4.33Å; C1247-F1251 HydrophobicContact CB-CB 4.16Å; P1248-F1251 HydrophobicContact CB-CD2 3.72Å; P1248-F1251 HydrophobicContact CB-CE2 3.88Å; P1248-F1251 HydrophobicContact CG-CD2 4.17Å; P1248-F1251 HydrophobicContact CG-CE2 4.26Å; P1248-F1251 PolarHBondContact O-N 2.92Å; A1249-F1251 VanDerWaalsContact O-CD2 3.27Å; A1249-F1251 WeakPolarHBondContact O-CD2 3.38Å; A1249-F1251 PolarHBondContact O-N 3.02Å; F1251-C1315 HydrophobicContact CB-CB 3.71Å; F1251-C1315 VanDerWaalsContact CD1-C 3.47Å; F1251-C1315 HydrophobicContact CD1-CB 4.08Å; F1251-C1315 VanDerWaalsContact CD1-O 3.26Å; F1251-C1315 WeakPolarHBondContact CD1-O 3.15Å; F1251-C1315 HydrophobicContact CG-CB 4.04Å; F1251-R1317 HydrophobicContact CD1-CB 3.83Å; F1251-R1317 HydrophobicContact CD1-CG 3.91Å; F1251-R1317 HydrophobicContact CE1-CB 4.1Å; F1251-R1317 VanDerWaalsContact CE1-CD 3.43Å; F1251-R1317 HydrophobicContact CE1-CG 3.62Å; F1251-R1317 HydrophobicContact CG-CB 4.26Å; F1251-R1317 HydrophobicContact CZ-CG 4.05Å |
| 1252 | S | 84.7 | Confident | 79.7 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 33% | 0.329 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.7 | 171.2 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | C1315 C1316 L1388 | S1252-C1315 CarbonylContact O-C 3.55Å; S1252-C1315 WeakPolarHBondContact O-CA 3.42Å; S1252-C1316 PolarHBondContact N-O 3.09Å; S1252-C1316 PolarHBondContact O-N 2.95Å; S1252-C1316 PolarHBondContact OG-O 2.91Å; S1252-L1388 WeakPolarHBondContact OG-CD1 3.48Å |
| 1253 | E | 86.5 | Confident | 77.5 | Confident | 94 Ų | 94 | 39 Ų | 39 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 130.3 | 175.1 | -178.4 | 175.5 | -176.9 | 0 | 0 | 111.8 | R1242 H1313 F1314 | R1242-E1253 IonicContact CZ-OE1 3.65Å; R1242-E1253 VanDerWaalsContact CZ-OE1 3.32Å; R1242-E1253 IonicContact CZ-OE2 2.62Å; R1242-E1253 IonicContact NH1-OE1 2.69Å; R1242-E1253 PolarHBondContact NH1-OE1 2.95Å; R1242-E1253 VanDerWaalsContact NH1-OE1 3.16Å; R1242-E1253 IonicContact NH1-OE2 3.35Å; R1242-E1253 PolarHBondContact NH1-OE2 2.92Å; R1242-E1253 IonicContact NH2-OE1 2.73Å; R1242-E1253 PolarHBondContact NH2-OE1 3.44Å; R1242-E1253 IonicContact NH2-OE2 2.68Å; E1253-H1313 IonicContact OE1-CE1 2.71Å; E1253-H1313 IonicContact OE1-CG 2.72Å; E1253-H1313 IonicContact OE1-ND1 3.13Å; E1253-H1313 PolarHBondContact OE1-ND1 3.12Å; E1253-F1314 WeakPolarHBondContact CA-O 3.28Å |
| 1254 | G | 87.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.6 | 163 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1313 F1314 K1386 L1388 | G1254-H1313 CarbonylContact O-C 3.52Å; G1254-H1313 WeakPolarHBondContact O-CA 3.35Å; G1254-F1314 PolarHBondContact N-O 3.2Å; G1254-F1314 PolarHBondContact O-N 2.96Å; G1254-K1386 CarbonylContact C-O 3.56Å; G1254-K1386 WeakPolarHBondContact CA-O 3.1Å; G1254-L1388 WeakPolarHBondContact CA-O 3.24Å |
| 1255 | L | 88.4 | Confident | 73 | Confident | 32 Ų | 32 | 45.3 Ų | 45.3 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 121.2 | 173.1 | 167 | 59.8 | 0 | 0 | 0 | 110.2 | N1311 Y1312 V1385 K1386 | L1255-N1311 HydrophobicContact CD1-CB 3.71Å; L1255-Y1312 WeakPolarHBondContact CA-O 3.27Å; L1255-V1385 CarbonylContact O-C 3.07Å; L1255-V1385 WeakPolarHBondContact O-CA 3.44Å; L1255-K1386 HydrophobicContact CB-CB 4.41Å; L1255-K1386 PolarHBondContact N-O 3.39Å; L1255-K1386 PolarHBondContact O-N 3.12Å |
| 1256 | L | 88.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 106.8 | 168.7 | 172.4 | 65.2 | 0 | 0 | 0 | 109.1 | I1258 Y1312 F1314 V1385 T1389 A1391 V1401 I1403 | L1256-I1258 HydrophobicContact CD1-CD1 4.31Å; L1256-I1258 HydrophobicContact CD1-CG1 4.06Å; L1256-I1258 HydrophobicContact CD2-CD1 3.95Å; L1256-I1258 HydrophobicContact CD2-CG1 4.4Å; L1256-I1258 HydrophobicContact CG-CD1 4.04Å; L1256-I1258 HydrophobicContact CG-CG1 3.92Å; L1256-Y1312 HydrophobicContact CD2-CD2 4.16Å; L1256-Y1312 HydrophobicContact CG-CD2 4.34Å; L1256-Y1312 PolarHBondContact N-O 3.49Å; L1256-Y1312 PolarHBondContact O-N 2.89Å; L1256-F1314 HydrophobicContact CB-CD2 4.34Å; L1256-F1314 HydrophobicContact CB-CE2 3.92Å; L1256-F1314 HydrophobicContact CD2-CE2 3.99Å; L1256-V1385 HydrophobicContact CD1-CG2 3.84Å; L1256-T1389 HydrophobicContact CB-CG2 4.48Å; L1256-A1391 HydrophobicContact CD1-CB 3.89Å; L1256-A1391 HydrophobicContact CD2-CB 3.98Å; L1256-A1391 HydrophobicContact CG-CB 4.46Å; L1256-V1401 HydrophobicContact CD1-CG1 4.08Å; L1256-V1401 HydrophobicContact CD2-CG1 4.25Å; L1256-I1403 HydrophobicContact CD2-CD1 3.63Å; L1256-I1403 HydrophobicContact CD2-CG1 3.76Å |
| 1257 | S | 82.8 | Confident | 68.3 | Low | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.3 | 170.2 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | L1310 N1311 Y1383 N1384 | S1257-L1310 CarbonylContact C-O 3.54Å; S1257-L1310 WeakPolarHBondContact CA-O 3.5Å; S1257-N1311 WeakPolarHBondContact CB-OD1 3.28Å; S1257-N1311 PolarHBondContact OG-OD1 2.57Å; S1257-Y1383 CarbonylContact O-C 3.54Å; S1257-Y1383 WeakPolarHBondContact O-CA 3.21Å; S1257-Y1383 WeakPolarHBondContact O-CB 3.38Å; S1257-N1384 PolarHBondContact N-O 2.94Å; S1257-N1384 PolarHBondContact O-N 2.85Å |
| 1258 | I | 80.1 | Confident | 65.7 | Low | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 159.7 | 172.1 | -44.8 | -177.5 | 0 | 0 | 0 | 108.8 | L1256 R1309 L1310 Y1312 V1361 A1363 V1401 I1403 | L1256-I1258 HydrophobicContact CD1-CD1 4.31Å; L1256-I1258 HydrophobicContact CD1-CG1 4.06Å; L1256-I1258 HydrophobicContact CD2-CD1 3.95Å; L1256-I1258 HydrophobicContact CD2-CG1 4.4Å; L1256-I1258 HydrophobicContact CG-CD1 4.04Å; L1256-I1258 HydrophobicContact CG-CG1 3.92Å; I1258-R1309 CarbonylContact O-C 3.52Å; I1258-R1309 WeakPolarHBondContact O-CA 3.4Å; I1258-L1310 PolarHBondContact N-O 2.82Å; I1258-L1310 PolarHBondContact O-N 2.78Å; I1258-Y1312 HydrophobicContact CD1-CD2 4.5Å; I1258-Y1312 HydrophobicContact CD1-CE2 4.01Å; I1258-V1361 HydrophobicContact CD1-CB 3.81Å; I1258-V1361 HydrophobicContact CD1-CG1 3.86Å; I1258-V1361 HydrophobicContact CD1-CG2 3.99Å; I1258-V1361 HydrophobicContact CG2-CG1 3.92Å; I1258-A1363 HydrophobicContact CG2-CB 4.07Å; I1258-V1401 HydrophobicContact CD1-CB 4.15Å; I1258-V1401 HydrophobicContact CD1-CG1 4.23Å; I1258-V1401 HydrophobicContact CD1-CG2 4.13Å; I1258-V1401 HydrophobicContact CG1-CG2 4.42Å; I1258-I1403 HydrophobicContact CD1-CD1 4.37Å |
| 1259 | L | 72.8 | Confident | 63.1 | Low | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.4 | 172.6 | -64.8 | 174.4 | 0 | 0 | 0 | 111.2 | R1309 P1364 W1371 P1382 | L1259-R1309 HydrophobicContact CD2-CB 3.91Å; L1259-P1364 HydrophobicContact CB-CG 4.1Å; L1259-P1364 WeakPolarHBondContact O-CD 3.4Å; L1259-W1371 HydrophobicContact CD1-CH2 3.85Å; L1259-P1382 WeakPolarHBondContact CG-O 3.19Å; L1259-P1382 PolarHBondContact N-O 3.29Å |
| 1260 | E | 67.9 | Low | 60.9 | Low | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.1 | 175.4 | -64.2 | 175 | 125.5 | 0 | 0 | 110.3 | H1182 Q1183 R1295 I1307 D1308 L1310 | H1182-E1260 WeakPolarHBondContact CA-OE1 3.46Å; Q1183-E1260 HydrophobicContact CB-CB 4.4Å; Q1183-E1260 PolarHBondContact N-OE1 3.23Å; E1260-R1295 VanDerWaalsContact CD-NH2 3.26Å; E1260-R1295 IonicContact OE1-NH2 3.15Å; E1260-R1295 PolarHBondContact OE1-NH2 2.95Å; E1260-R1295 IonicContact OE2-CZ 3.7Å; E1260-R1295 IonicContact OE2-NE 2.96Å; E1260-R1295 PolarHBondContact OE2-NE 3.37Å; E1260-R1295 IonicContact OE2-NH2 3.94Å; E1260-R1295 PolarHBondContact OE2-NH2 3.45Å; E1260-I1307 CarbonylContact O-C 3.58Å; E1260-I1307 WeakPolarHBondContact O-CA 3.27Å; E1260-I1307 VanDerWaalsContact O-CB 3.28Å; E1260-I1307 WeakPolarHBondContact O-CB 3.06Å; E1260-D1308 PolarHBondContact N-O 3.32Å; E1260-D1308 PolarHBondContact O-N 2.78Å; E1260-L1310 HydrophobicContact CG-CB 4.43Å |
| 1261 | G | 59.8 | Low | 58.6 | Low | 10 Ų | 10 | 69.6 Ų | 69.6 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.1 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1364 | G1261-P1364 WeakPolarHBondContact O-CB 3.2Å; G1261-P1364 WeakPolarHBondContact O-CG 3.45Å |
| 1262 | P | 50.3 | Low | 56 | Low | 39 Ų | 39 | 72.4 Ų | 72.4 | 25% | 0.253 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -92.4 | 132 | 27.4 | 31 | -34.7 | 0 | 0 | 0 | 116 | K1264 K1306 I1307 | P1262-K1264 PolarHBondContact O-N 2.95Å; P1262-K1306 CarbonylContact C-O 3.59Å; P1262-K1306 WeakPolarHBondContact CA-O 3.25Å; P1262-I1307 HydrophobicContact CB-CD1 4.14Å; P1262-I1307 HydrophobicContact CB-CG1 4.03Å |
| 1263 | E | 45.2 | Very low | 53.3 | Low | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 114.3 | 159.2 | -168.3 | -169.9 | -130.3 | 0 | 0 | 108.8 | K1306 | E1263-K1306 HydrophobicContact CB-CB 4.39Å; E1263-K1306 PolarHBondContact N-O 3.49Å; E1263-K1306 PolarHBondContact O-N 2.95Å; E1263-K1306 WeakPolarHBondContact OE2-CD 3.36Å; E1263-K1306 WeakPolarHBondContact OE2-CE 3.42Å; E1263-K1306 IonicContact OE2-NZ 3.79Å; E1263-K1306 PolarHBondContact OE2-NZ 2.87Å |
| 1264 | K | 37.5 | Very low | 50.7 | Low | 111 Ų | 111 | 75.1 Ų | 75.1 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.2 | 172.2 | -75.6 | -170.4 | 177.2 | -177.7 | 0 | 109.8 | P1262 T1266 | P1262-K1264 PolarHBondContact O-N 2.95Å; K1264-T1266 PolarHBondContact O-N 3.09Å |
| 1265 | L | 36.2 | Very low | 48 | Very low | 103 Ų | 103 | 78 Ų | 78 | 54% | 0.539 | 42% | 0.419 | S | S | . | . | trans | -70.1 | 77.9 | 170.2 | -82 | 158.1 | 0 | 0 | 0 | 111.2 | R1267 T1304 | L1265-R1267 PolarHBondContact O-N 3.46Å; L1265-T1304 PolarHBondContact N-O 3.18Å | ||
| 1266 | T | 32.2 | Very low | 45.3 | Very low | 113 Ų | 113 | 80.6 Ų | 80.6 | 69% | 0.693 | 43% | 0.432 | S | S | * | . | trans | -61.3 | 121.8 | 167.2 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | K1264 S1268 | K1264-T1266 PolarHBondContact O-N 3.09Å; T1266-S1268 PolarHBondContact O-N 3.47Å | ||
| 1267 | R | 28.1 | Very low | 42.5 | Very low | 254 Ų | 254 | 83.5 Ų | 83.5 | 96% | 0.958 | 45% | 0.448 | S | S | * | . | trans | -79.5 | 43 | -171 | -144.7 | 179.2 | -164.2 | -176.1 | 5.7 | 113 | L1265 | L1265-R1267 PolarHBondContact O-N 3.46Š| ||
| 1268 | S | 30.6 | Very low | 40 | Very low | 79 Ų | 79 | 92.1 Ų | 92.1 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | trans | -69.1 | 142.8 | 175.7 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | T1266 D1270 | T1266-S1268 PolarHBondContact O-N 3.47Å; S1268-D1270 VanDerWaalsContact C-N 3.29Å; S1268-D1270 WeakPolarHBondContact CB-OD2 3.23Å; S1268-D1270 PolarHBondContact O-N 2.92Å | ||
| 1269 | K | 28 | Very low | 37.7 | Very low | 194 Ų | 194 | 96.6 Ų | 96.6 | 84% | 0.843 | 50% | 0.503 | S | S | * | . | trans | -91.3 | 20.3 | -170.5 | -102.2 | -174.9 | 175.1 | -176.2 | 0 | 113.6 | T1271 | K1269-T1271 PolarHBondContact O-N 3.19Š| ||
| 1270 | D | 29.5 | Very low | 35.8 | Very low | 118 Ų | 118 | 98.4 Ų | 98.4 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | trans | -82.9 | 88.7 | -169.9 | -59.2 | -57.5 | 0 | 0 | 0 | 110.5 | S1268 S1272 | S1268-D1270 VanDerWaalsContact C-N 3.29Å; S1268-D1270 WeakPolarHBondContact CB-OD2 3.23Å; S1268-D1270 PolarHBondContact O-N 2.92Å; D1270-S1272 PolarHBondContact O-N 3.32Å | ||
| 1271 | T | 28.4 | Very low | 34.3 | Very low | 141 Ų | 141 | 102 Ų | 102 | 87% | 0.865 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 46 | -170.8 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | K1269 | K1269-T1271 PolarHBondContact O-N 3.19Š|
| 1272 | S | 29.9 | Very low | 33.1 | Very low | 80 Ų | 80 | 106 Ų | 106 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | -24.2 | -178.1 | 53.3 | 0 | 0 | 0 | 0 | 116.5 | D1270 S1275 | D1270-S1272 PolarHBondContact O-N 3.32Å; S1272-S1275 PolarHBondContact O-OG 3.42Å |
| 1273 | D | 29.6 | Very low | 32.2 | Very low | 103 Ų | 103 | 109.4 Ų | 109.4 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -8.8 | -174.5 | -86.4 | -37.2 | 0 | 0 | 0 | 115.6 | S1275 I1276 | D1273-S1275 VanDerWaalsContact C-N 3.25Å; D1273-S1275 PolarHBondContact O-N 3.37Å; D1273-I1276 PolarHBondContact O-N 3.32Å |
| 1274 | S | 31.2 | Very low | 31.9 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 66% | 0.664 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -23.2 | -176.6 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1275 | S | 31.1 | Very low | 31.7 | Very low | 61 Ų | 61 | 111.2 Ų | 111.2 | 43% | 0.427 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.2 | -39 | 174.9 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | S1272 D1273 R1278 N1279 | S1272-S1275 PolarHBondContact O-OG 3.42Å; D1273-S1275 VanDerWaalsContact C-N 3.25Å; D1273-S1275 PolarHBondContact O-N 3.37Å; S1275-R1278 PolarHBondContact O-N 2.84Å; S1275-N1279 WeakPolarHBondContact O-CB 3.49Å; S1275-N1279 VanDerWaalsContact O-CG 3.23Å; S1275-N1279 PolarHBondContact O-N 3.11Å; S1275-N1279 PolarHBondContact O-OD1 2.86Å |
| 1276 | I | 30.9 | Very low | 31.8 | Very low | 87 Ų | 87 | 111 Ų | 111 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.2 | -46.1 | -174.8 | -62.3 | 178.5 | 0 | 0 | 0 | 111.2 | D1273 N1279 I1280 | D1273-I1276 PolarHBondContact O-N 3.32Å; I1276-N1279 PolarHBondContact O-N 2.9Å; I1276-I1280 HydrophobicContact CG2-CD1 4.15Å; I1276-I1280 WeakPolarHBondContact O-CG1 3.28Å; I1276-I1280 PolarHBondContact O-N 3.19Å; I1276-I1280 VanDerWaalsContact O-N 3.12Å |
| 1277 | N | 30.9 | Very low | 32.4 | Very low | 60 Ų | 60 | 108.6 Ų | 108.6 | 32% | 0.321 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67 | -38.4 | 177.5 | -91.2 | -25 | 0 | 0 | 0 | 112.1 | R1181 N1279 I1280 D1281 | R1181-N1277 PolarHBondContact NH1-OD1 3.25Å; R1181-N1277 PolarHBondContact NH2-OD1 2.84Å; N1277-N1279 VanDerWaalsContact C-N 3.34Å; N1277-N1279 PolarHBondContact O-N 3.29Å; N1277-I1280 PolarHBondContact O-N 3.27Å; N1277-D1281 PolarHBondContact O-N 3.47Å; N1277-D1281 VanDerWaalsContact O-N 3.16Å |
| 1278 | R | 30.7 | Very low | 33.5 | Very low | 187 Ų | 187 | 103.3 Ų | 103.3 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.3 | -40 | 173.3 | -90.1 | -170.8 | 170.1 | -171.2 | -2.8 | 112.6 | S1275 I1280 D1281 L1282 | S1275-R1278 PolarHBondContact O-N 2.84Å; R1278-I1280 VanDerWaalsContact C-N 3.31Å; R1278-I1280 PolarHBondContact O-N 2.95Å; R1278-D1281 PolarHBondContact O-N 3.18Å; R1278-L1282 VanDerWaalsContact O-CB 3.31Å; R1278-L1282 WeakPolarHBondContact O-CB 3.48Å; R1278-L1282 WeakPolarHBondContact O-CD1 3.21Å; R1278-L1282 VanDerWaalsContact O-CG 3.28Å; R1278-L1282 WeakPolarHBondContact O-CG 3.32Å; R1278-L1282 PolarHBondContact O-N 2.95Å |
| 1279 | N | 31.3 | Very low | 35.1 | Very low | 95 Ų | 95 | 99.8 Ų | 99.8 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.4 | -27.9 | 179 | -72.7 | 5.3 | 0 | 0 | 0 | 112.6 | S1275 I1276 N1277 L1283 | S1275-N1279 WeakPolarHBondContact O-CB 3.49Å; S1275-N1279 VanDerWaalsContact O-CG 3.23Å; S1275-N1279 PolarHBondContact O-N 3.11Å; S1275-N1279 PolarHBondContact O-OD1 2.86Å; I1276-N1279 PolarHBondContact O-N 2.9Å; N1277-N1279 VanDerWaalsContact C-N 3.34Å; N1277-N1279 PolarHBondContact O-N 3.29Å; N1279-L1283 VanDerWaalsContact O-CB 3.32Å; N1279-L1283 WeakPolarHBondContact O-CB 3.38Å; N1279-L1283 WeakPolarHBondContact O-CD1 3.08Å; N1279-L1283 WeakPolarHBondContact O-CG 3.35Å; N1279-L1283 PolarHBondContact O-N 3.43Å |
| 1280 | I | 33 | Very low | 37.2 | Very low | 51 Ų | 51 | 93.1 Ų | 93.1 | 26% | 0.262 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.3 | -46.9 | 174.2 | -68.1 | 166.8 | 0 | 0 | 0 | 110.8 | I1276 N1277 R1278 L1282 L1283 Q1284 | I1276-I1280 HydrophobicContact CG2-CD1 4.15Å; I1276-I1280 WeakPolarHBondContact O-CG1 3.28Å; I1276-I1280 PolarHBondContact O-N 3.19Å; I1276-I1280 VanDerWaalsContact O-N 3.12Å; N1277-I1280 PolarHBondContact O-N 3.27Å; R1278-I1280 VanDerWaalsContact C-N 3.31Å; R1278-I1280 PolarHBondContact O-N 2.95Å; I1280-L1282 VanDerWaalsContact C-N 3.26Å; I1280-L1282 PolarHBondContact O-N 2.84Å; I1280-L1283 PolarHBondContact O-N 3.44Å; I1280-L1283 VanDerWaalsContact O-N 3.17Å; I1280-Q1284 PolarHBondContact O-N 3.37Å |
| 1281 | D | 36.4 | Very low | 39.8 | Very low | 88 Ų | 88 | 88 Ų | 88 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -31.8 | 177.1 | -64.4 | -0 | 0 | 0 | 0 | 111.6 | N1277 R1278 | N1277-D1281 PolarHBondContact O-N 3.47Å; N1277-D1281 VanDerWaalsContact O-N 3.16Å; R1278-D1281 PolarHBondContact O-N 3.18Å |
| 1282 | L | 33.3 | Very low | 42.5 | Very low | 93 Ų | 93 | 82.3 Ų | 82.3 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.9 | -33.2 | 172.4 | -75.6 | 166.8 | 0 | 0 | 0 | 113.3 | R1278 I1280 Q1284 Q1285 | R1278-L1282 VanDerWaalsContact O-CB 3.31Å; R1278-L1282 WeakPolarHBondContact O-CB 3.48Å; R1278-L1282 WeakPolarHBondContact O-CD1 3.21Å; R1278-L1282 VanDerWaalsContact O-CG 3.28Å; R1278-L1282 WeakPolarHBondContact O-CG 3.32Å; R1278-L1282 PolarHBondContact O-N 2.95Å; I1280-L1282 VanDerWaalsContact C-N 3.26Å; I1280-L1282 PolarHBondContact O-N 2.84Å; L1282-Q1284 VanDerWaalsContact C-N 3.27Å; L1282-Q1284 PolarHBondContact O-N 3.5Å; L1282-Q1285 WeakPolarHBondContact O-CB 3.4Å; L1282-Q1285 PolarHBondContact O-N 2.83Å |
| 1283 | L | 31.3 | Very low | 45.1 | Very low | 110 Ų | 110 | 79 Ų | 79 | 58% | 0.576 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.8 | -32.9 | 174.3 | -82.8 | 164 | 0 | 0 | 0 | 111.5 | N1279 I1280 Q1285 T1286 | N1279-L1283 VanDerWaalsContact O-CB 3.32Å; N1279-L1283 WeakPolarHBondContact O-CB 3.38Å; N1279-L1283 WeakPolarHBondContact O-CD1 3.08Å; N1279-L1283 WeakPolarHBondContact O-CG 3.35Å; N1279-L1283 PolarHBondContact O-N 3.43Å; I1280-L1283 PolarHBondContact O-N 3.44Å; I1280-L1283 VanDerWaalsContact O-N 3.17Å; L1283-Q1285 PolarHBondContact O-N 2.04Å; L1283-Q1285 VanDerWaalsContact O-N 3.12Å; L1283-T1286 PolarHBondContact O-N 2.76Å; L1283-T1286 PolarHBondContact O-OG1 2.92Å |
| 1284 | Q | 39.2 | Very low | 47.6 | Very low | 64 Ų | 64 | 78 Ų | 78 | 30% | 0.299 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12 | 170.5 | -66.4 | -159.5 | -68.7 | 0 | 0 | 113.8 | T1179 M1180 I1280 L1282 | T1179-Q1284 PolarHBondContact O-NE2 3.15Å; M1180-Q1284 PolarHBondContact SD-NE2 2.83Å; M1180-Q1284 VanDerWaalsContact SD-NE2 3.4Å; I1280-Q1284 PolarHBondContact O-N 3.37Å; L1282-Q1284 VanDerWaalsContact C-N 3.27Å; L1282-Q1284 PolarHBondContact O-N 3.5Å |
| 1285 | Q | 35 | Very low | 49.9 | Very low | 159 Ų | 159 | 76.5 Ų | 76.5 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.5 | 172.2 | -59.1 | -167.1 | -47.3 | 0 | 0 | 113.9 | L1282 L1283 | L1282-Q1285 WeakPolarHBondContact O-CB 3.4Å; L1282-Q1285 PolarHBondContact O-N 2.83Å; L1283-Q1285 PolarHBondContact O-N 2.04Å; L1283-Q1285 VanDerWaalsContact O-N 3.12Å |
| 1286 | T | 37.7 | Very low | 52 | Low | 100 Ų | 100 | 76.8 Ų | 76.8 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -110.3 | -2.4 | -174.7 | 59.9 | 0 | 0 | 0 | 0 | 115.4 | L1283 | L1283-T1286 PolarHBondContact O-N 2.76Å; L1283-T1286 PolarHBondContact O-OG1 2.92Å |
| 1287 | T | 44.4 | Very low | 53.8 | Low | 62 Ų | 62 | 79.8 Ų | 79.8 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -108.2 | 117 | 169.5 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | A1289 | T1287-A1289 PolarHBondContact O-N 3.35Å; T1287-A1289 VanDerWaalsContact O-N 3.08Å |
| 1288 | T | 51.8 | Low | 55.2 | Low | 142 Ų | 142 | 78.3 Ų | 78.3 | 87% | 0.871 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -69.7 | -5.4 | -167.6 | 43.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1289 | A | 62.7 | Low | 56.2 | Low | 5 Ų | 5 | 77.6 Ų | 77.6 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | trans | -139 | 119.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1214 T1216 V1243 T1287 | V1214-A1289 HydrophobicContact CG1-CB 3.62Å; T1216-A1289 HydrophobicContact CG2-CB 3.4Å; T1216-A1289 VanDerWaalsContact CG2-CB 3.4Å; V1243-A1289 HydrophobicContact CG1-CB 4.24Å; T1287-A1289 PolarHBondContact O-N 3.35Å; T1287-A1289 VanDerWaalsContact O-N 3.08Å | ||
| 1290 | T | 72.5 | Confident | 56.9 | Low | 55 Ų | 55 | 74.5 Ų | 74.5 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | trans | -129.2 | 148.9 | 172.5 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | A1178 | A1178-T1290 HydrophobicContact CB-CG2 4.4Š| ||
| 1291 | P | 84 | Confident | 57.7 | Low | 10 Ų | 10 | 79 Ų | 79 | 7% | 0.065 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -60 | 147.6 | 170.3 | 28 | -35.4 | 0 | 0 | 0 | 110.9 | A1163 Y1212 L1241 R1242 I1293 | A1163-P1291 HydrophobicContact CB-CB 3.96Å; Y1212-P1291 HydrophobicContact CD2-CG 4.14Å; Y1212-P1291 HydrophobicContact CG-CG 4.09Å; L1241-P1291 HydrophobicContact CB-CB 4.04Å; L1241-P1291 HydrophobicContact CD1-CB 4.01Å; R1242-P1291 CarbonylContact O-C 3.58Å; R1242-P1291 WeakPolarHBondContact O-CA 3.38Å; P1291-I1293 HydrophobicContact CB-CD1 4.19Å; P1291-I1293 HydrophobicContact CB-CG1 4.04Å; P1291-I1293 HydrophobicContact CG-CD1 3.85Å; P1291-I1293 HydrophobicContact CG-CG1 4.09Å; P1291-I1293 PolarHBondContact O-N 3Å |
| 1292 | D | 85.3 | Confident | 58.1 | Low | 22 Ų | 22 | 80.5 Ų | 80.5 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -71.4 | 63.5 | 179.4 | -73 | 5.7 | 0 | 0 | 0 | 111.3 | R1242 N1244 G1245 N1311 H1313 | R1242-D1292 HydrophobicContact CB-CB 4.11Å; R1242-D1292 WeakPolarHBondContact CG-OD2 3.4Å; R1242-D1292 IonicContact CZ-OD2 3.55Å; R1242-D1292 IonicContact NE-OD2 3.78Å; R1242-D1292 PolarHBondContact NE-OD2 2.92Å; R1242-D1292 IonicContact NH2-OD2 2.7Å; R1242-D1292 PolarHBondContact O-N 2.8Å; N1244-D1292 PolarHBondContact N-OD1 3.1Å; G1245-D1292 VanDerWaalsContact CA-OD2 3.28Å; G1245-D1292 WeakPolarHBondContact CA-OD2 3.15Å; G1245-D1292 PolarHBondContact N-OD1 2.85Å; G1245-D1292 PolarHBondContact N-OD2 3.41Å; D1292-N1311 VanDerWaalsContact O-O 3.11Å; D1292-H1313 HydrophobicContact CB-CB 3.84Å; D1292-H1313 PolarHBondContact O-CD2 2.98Å; D1292-H1313 PolarHBondContact O-N 2.86Å |
| 1293 | I | 84.9 | Confident | 58.9 | Low | 9 Ų | 9 | 81.7 Ų | 81.7 | 5% | 0.046 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 76.4 | 175 | -50.5 | 177.6 | 0 | 0 | 0 | 107.7 | M1180 Y1212 L1241 P1291 R1295 L1310 N1311 Y1312 | M1180-I1293 HydrophobicContact CB-CD1 4.25Å; M1180-I1293 HydrophobicContact CE-CB 4.2Å; M1180-I1293 HydrophobicContact CE-CG2 3.97Å; M1180-I1293 VanDerWaalsContact CE-O 3.23Å; M1180-I1293 WeakPolarHBondContact CE-O 3.48Å; M1180-I1293 HydrophobicContact CG-CB 4.28Å; M1180-I1293 HydrophobicContact CG-CD1 4.1Å; M1180-I1293 HydrophobicContact CG-CG2 4.19Å; Y1212-I1293 HydrophobicContact CE1-CD1 4.41Å; Y1212-I1293 HydrophobicContact CE2-CD1 3.96Å; L1241-I1293 HydrophobicContact CD1-CD1 4.02Å; L1241-I1293 HydrophobicContact CD1-CG1 4.43Å; L1241-I1293 HydrophobicContact CD2-CG1 4.44Å; P1291-I1293 HydrophobicContact CB-CD1 4.19Å; P1291-I1293 HydrophobicContact CB-CG1 4.04Å; P1291-I1293 HydrophobicContact CG-CD1 3.85Å; P1291-I1293 HydrophobicContact CG-CG1 4.09Å; P1291-I1293 PolarHBondContact O-N 3Å; I1293-R1295 PolarHBondContact O-N 3.07Å; I1293-L1310 HydrophobicContact CG2-CD1 3.69Å; I1293-L1310 HydrophobicContact CG2-CD2 3.91Å; I1293-L1310 HydrophobicContact CG2-CG 3.63Å; I1293-N1311 CarbonylContact C-O 3.57Å; I1293-N1311 VanDerWaalsContact CA-O 3.3Å; I1293-N1311 WeakPolarHBondContact CA-O 3.36Å; I1293-Y1312 HydrophobicContact CB-CD1 4.47Å; I1293-Y1312 HydrophobicContact CD1-CD1 3.91Å; I1293-Y1312 HydrophobicContact CD1-CE1 3.93Å; I1293-Y1312 HydrophobicContact CG1-CD1 3.85Å; I1293-Y1312 HydrophobicContact CG1-CE1 4.31Å; I1293-Y1312 HydrophobicContact CG2-CD1 3.85Å; I1293-Y1312 HydrophobicContact CG2-CE1 3.91Å; I1293-Y1312 HydrophobicContact CG2-CG 4.29Å |
| 1294 | I | 82.6 | Confident | 59.6 | Low | 82 Ų | 82 | 80.2 Ų | 80.2 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 112.1 | -167.7 | -50.3 | 178.5 | 0 | 0 | 0 | 110.2 | V1296 N1311 | I1294-V1296 HydrophobicContact CG2-CG2 3.84Å; I1294-N1311 HydrophobicContact CB-CB 4.28Å; I1294-N1311 PolarHBondContact N-O 2.96Å; I1294-N1311 PolarHBondContact O-N 3.49Å |
| 1295 | R | 78.4 | Confident | 60 | Low | 65 Ų | 65 | 77.8 Ų | 77.8 | 25% | 0.245 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 110.4 | 170.7 | -174.8 | 174.1 | -79.8 | 120.1 | 0.3 | 110.9 | R1181 E1260 I1293 D1308 R1309 L1310 | R1181-R1295 VanDerWaalsContact O-CZ 3.23Å; R1181-R1295 PolarHBondContact O-NH1 2.85Å; R1181-R1295 PolarHBondContact O-NH2 2.89Å; E1260-R1295 VanDerWaalsContact CD-NH2 3.26Å; E1260-R1295 IonicContact OE1-NH2 3.15Å; E1260-R1295 PolarHBondContact OE1-NH2 2.95Å; E1260-R1295 IonicContact OE2-CZ 3.7Å; E1260-R1295 IonicContact OE2-NE 2.96Å; E1260-R1295 PolarHBondContact OE2-NE 3.37Å; E1260-R1295 IonicContact OE2-NH2 3.94Å; E1260-R1295 PolarHBondContact OE2-NH2 3.45Å; I1293-R1295 PolarHBondContact O-N 3.07Å; R1295-D1308 HydrophobicContact CG-CB 3.65Å; R1295-R1309 CarbonylContact C-O 3.51Å; R1295-R1309 WeakPolarHBondContact CA-O 3.34Å; R1295-L1310 HydrophobicContact CB-CD1 3.97Å |
| 1296 | V | 75.6 | Confident | 61.2 | Low | 67 Ų | 67 | 73.8 Ų | 73.8 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129 | -179.8 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | I1294 A1298 R1309 | I1294-V1296 HydrophobicContact CG2-CG2 3.84Å; V1296-A1298 PolarHBondContact O-N 2.82Å; V1296-R1309 PolarHBondContact N-O 3.24Å; V1296-R1309 PolarHBondContact O-N 2.83Å |
| 1297 | R | 68 | Low | 62.4 | Low | 149 Ų | 149 | 69.2 Ų | 69.2 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 126 | 177.7 | -114.6 | 177.2 | -170.8 | 98.2 | 41.5 | 112.3 | D1308 | R1297-D1308 WeakPolarHBondContact CG-OD1 3.45Å; R1297-D1308 IonicContact CZ-OD1 3.49Å; R1297-D1308 IonicContact CZ-OD2 3.93Å; R1297-D1308 IonicContact NE-OD1 3.9Å; R1297-D1308 PolarHBondContact NE-OD1 2.89Å; R1297-D1308 IonicContact NH2-OD1 2.63Å; R1297-D1308 IonicContact NH2-OD2 3.63Å; R1297-D1308 PolarHBondContact NH2-OD2 2.81Å |
| 1298 | A | 60.3 | Low | 63.7 | Low | 29 Ų | 29 | 66.5 Ų | 66.5 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V1296 M1300 I1307 | V1296-A1298 PolarHBondContact O-N 2.82Å; A1298-M1300 PolarHBondContact O-N 2.71Å; A1298-I1307 HydrophobicContact CB-CG2 3.77Å; A1298-I1307 WeakPolarHBondContact CB-O 3.18Å; A1298-I1307 PolarHBondContact N-O 3.17Å; A1298-I1307 VanDerWaalsContact N-O 3.15Å |
| 1299 | H | 52.1 | Low | 65 | Low | 173 Ų | 173 | 60.5 Ų | 60.5 | 80% | 0.801 | 31% | 0.307 | S | S | * | . | trans | -72.5 | 99.8 | 178.1 | -77.9 | -92.6 | 0 | 0 | 0 | 111.1 | ||||
| 1300 | M | 46.7 | Very low | 66 | Low | 29 Ų | 29 | 60.4 Ų | 60.4 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -75.4 | 154.9 | 163.6 | -58.1 | -175.3 | 86.7 | 0 | 0 | 110.5 | A1298 E1302 S1305 I1307 S1373 I1374 | A1298-M1300 PolarHBondContact O-N 2.71Å; M1300-E1302 VanDerWaalsContact C-N 3.35Å; M1300-S1305 VanDerWaalsContact SD-O 3.39Å; M1300-I1307 HydrophobicContact CE-CD1 4.11Å; M1300-I1307 HydrophobicContact CE-CG1 4.27Å; M1300-I1307 HydrophobicContact SD-CD1 4.19Å; M1300-I1307 HydrophobicContact SD-CG1 3.68Å; M1300-S1373 WeakPolarHBondContact CE-OG 3.28Å; M1300-I1374 HydrophobicContact CE-CD1 4.42Å; M1300-I1374 HydrophobicContact CE-CG1 3.52Å; M1300-I1374 HydrophobicContact CG-CG1 4.33Å |
| 1301 | K | 49.4 | Very low | 66.7 | Low | 145 Ų | 145 | 58.9 Ų | 58.9 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -74.9 | -24.1 | 175.1 | -98.9 | 173.1 | 167.1 | 152.8 | 0 | 113.4 | S1373 D1375 | K1301-S1373 PolarHBondContact N-O 3.1Å; K1301-S1373 VanDerWaalsContact N-O 3.11Å; K1301-D1375 HydrophobicContact CD-CB 4.22Å; K1301-D1375 VanDerWaalsContact CE-CG 3.42Å; K1301-D1375 WeakPolarHBondContact CE-OD1 3.36Å; K1301-D1375 WeakPolarHBondContact CE-OD2 3.44Å; K1301-D1375 HydrophobicContact CG-CB 4.31Å; K1301-D1375 IonicContact NZ-OD1 2.96Å; K1301-D1375 PolarHBondContact NZ-OD1 3.12Å; K1301-D1375 IonicContact NZ-OD2 2.71Å; K1301-D1375 PolarHBondContact NZ-OD2 3.39Å |
| 1302 | E | 45.2 | Very low | 67 | Low | 121 Ų | 121 | 58.5 Ų | 58.5 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -112 | 121.2 | -176.6 | -63.1 | -174.6 | 164.8 | 0 | 0 | 111.3 | M1300 T1304 S1373 | M1300-E1302 VanDerWaalsContact C-N 3.35Å; E1302-T1304 PolarHBondContact O-N 2.87Å; E1302-S1373 WeakPolarHBondContact OE2-CB 3.42Å |
| 1303 | S | 48.9 | Very low | 67.3 | Low | 117 Ų | 117 | 58.4 Ų | 58.4 | 82% | 0.818 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 18.8 | -161.7 | 54.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1304 | T | 47.6 | Very low | 67.7 | Low | 80 Ų | 80 | 58 Ų | 58 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -9.5 | -172.7 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | L1265 E1302 | L1265-T1304 PolarHBondContact N-O 3.18Å; E1302-T1304 PolarHBondContact O-N 2.87Å |
| 1305 | S | 47.6 | Very low | 68.1 | Low | 12 Ų | 12 | 54 Ų | 54 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.3 | 178.6 | -58.4 | 0 | 0 | 0 | 0 | 109.3 | M1300 N1370 | M1300-S1305 VanDerWaalsContact SD-O 3.39Å; S1305-N1370 PolarHBondContact OG-ND2 3.47Å; S1305-N1370 VanDerWaalsContact OG-ND2 3.12Å |
| 1306 | K | 59.1 | Low | 68.7 | Low | 75 Ų | 75 | 51 Ų | 51 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.1 | 168.4 | -54.7 | 176.8 | -166 | 159.7 | 0 | 108.8 | P1262 E1263 | P1262-K1306 CarbonylContact C-O 3.59Å; P1262-K1306 WeakPolarHBondContact CA-O 3.25Å; E1263-K1306 HydrophobicContact CB-CB 4.39Å; E1263-K1306 PolarHBondContact N-O 3.49Å; E1263-K1306 PolarHBondContact O-N 2.95Å; E1263-K1306 WeakPolarHBondContact OE2-CD 3.36Å; E1263-K1306 WeakPolarHBondContact OE2-CE 3.42Å; E1263-K1306 IonicContact OE2-NZ 3.79Å; E1263-K1306 PolarHBondContact OE2-NZ 2.87Å |
| 1307 | I | 63.6 | Low | 69.1 | Low | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.6 | 157.3 | -22.8 | -167.8 | 0 | 0 | 0 | 107.1 | E1260 P1262 A1298 M1300 W1371 I1374 | E1260-I1307 CarbonylContact O-C 3.58Å; E1260-I1307 WeakPolarHBondContact O-CA 3.27Å; E1260-I1307 VanDerWaalsContact O-CB 3.28Å; E1260-I1307 WeakPolarHBondContact O-CB 3.06Å; P1262-I1307 HydrophobicContact CB-CD1 4.14Å; P1262-I1307 HydrophobicContact CB-CG1 4.03Å; A1298-I1307 HydrophobicContact CB-CG2 3.77Å; A1298-I1307 WeakPolarHBondContact CB-O 3.18Å; A1298-I1307 PolarHBondContact N-O 3.17Å; A1298-I1307 VanDerWaalsContact N-O 3.15Å; M1300-I1307 HydrophobicContact CE-CD1 4.11Å; M1300-I1307 HydrophobicContact CE-CG1 4.27Å; M1300-I1307 HydrophobicContact SD-CD1 4.19Å; M1300-I1307 HydrophobicContact SD-CG1 3.68Å; I1307-W1371 HydrophobicContact CD1-CE3 4.33Å; I1307-W1371 HydrophobicContact CD1-CZ3 4.13Å; I1307-I1374 HydrophobicContact CD1-CD1 3.89Å; I1307-I1374 HydrophobicContact CD1-CG1 4.45Å |
| 1308 | D | 71.6 | Confident | 69.6 | Low | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.9 | -178.5 | -66.9 | -20.5 | 0 | 0 | 0 | 108.2 | E1260 R1295 R1297 | E1260-D1308 PolarHBondContact N-O 3.32Å; E1260-D1308 PolarHBondContact O-N 2.78Å; R1295-D1308 HydrophobicContact CG-CB 3.65Å; R1297-D1308 WeakPolarHBondContact CG-OD1 3.45Å; R1297-D1308 IonicContact CZ-OD1 3.49Å; R1297-D1308 IonicContact CZ-OD2 3.93Å; R1297-D1308 IonicContact NE-OD1 3.9Å; R1297-D1308 PolarHBondContact NE-OD1 2.89Å; R1297-D1308 IonicContact NH2-OD1 2.63Å; R1297-D1308 IonicContact NH2-OD2 3.63Å; R1297-D1308 PolarHBondContact NH2-OD2 2.81Å |
| 1309 | R | 78.5 | Confident | 70.1 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 6% | 0.06 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126 | 175.1 | 164.4 | 158.9 | -77.4 | -169.9 | -3.7 | 109.2 | I1258 L1259 R1295 V1296 N1311 W1380 | I1258-R1309 CarbonylContact O-C 3.52Å; I1258-R1309 WeakPolarHBondContact O-CA 3.4Å; L1259-R1309 HydrophobicContact CD2-CB 3.91Å; R1295-R1309 CarbonylContact C-O 3.51Å; R1295-R1309 WeakPolarHBondContact CA-O 3.34Å; V1296-R1309 PolarHBondContact N-O 3.24Å; V1296-R1309 PolarHBondContact O-N 2.83Å; R1309-N1311 WeakPolarHBondContact CD-OD1 3.44Å; R1309-N1311 WeakPolarHBondContact CG-OD1 3.31Å; R1309-W1380 VanDerWaalsContact NH1-CE3 3.31Å; R1309-W1380 VanDerWaalsContact NH1-CZ3 3.29Å; R1309-W1380 VanDerWaalsContact NH2-CE3 3.34Å |
| 1310 | L | 83.3 | Confident | 70.9 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.1 | 174.3 | -158.1 | 70.6 | 0 | 0 | 0 | 109.5 | M1180 H1182 S1257 I1258 E1260 I1293 R1295 Y1312 | M1180-L1310 HydrophobicContact CE-CD1 3.73Å; H1182-L1310 VanDerWaalsContact ND1-CD2 3.28Å; H1182-L1310 WeakPolarHBondContact ND1-CD2 3.35Å; S1257-L1310 CarbonylContact C-O 3.54Å; S1257-L1310 WeakPolarHBondContact CA-O 3.5Å; I1258-L1310 PolarHBondContact N-O 2.82Å; I1258-L1310 PolarHBondContact O-N 2.78Å; E1260-L1310 HydrophobicContact CG-CB 4.43Å; I1293-L1310 HydrophobicContact CG2-CD1 3.69Å; I1293-L1310 HydrophobicContact CG2-CD2 3.91Å; I1293-L1310 HydrophobicContact CG2-CG 3.63Å; R1295-L1310 HydrophobicContact CB-CD1 3.97Å; L1310-Y1312 HydrophobicContact CD2-CE1 4.47Å; L1310-Y1312 HydrophobicContact CD2-CE2 3.72Å; L1310-Y1312 HydrophobicContact CG-CE2 4.26Å |
| 1311 | N | 87.4 | Confident | 71.6 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 12% | 0.118 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 104.6 | 177.8 | -68.7 | -31.2 | 0 | 0 | 0 | 109.7 | L1255 S1257 D1292 I1293 I1294 R1309 | L1255-N1311 HydrophobicContact CD1-CB 3.71Å; S1257-N1311 WeakPolarHBondContact CB-OD1 3.28Å; S1257-N1311 PolarHBondContact OG-OD1 2.57Å; D1292-N1311 VanDerWaalsContact O-O 3.11Å; I1293-N1311 CarbonylContact C-O 3.57Å; I1293-N1311 VanDerWaalsContact CA-O 3.3Å; I1293-N1311 WeakPolarHBondContact CA-O 3.36Å; I1294-N1311 HydrophobicContact CB-CB 4.28Å; I1294-N1311 PolarHBondContact N-O 2.96Å; I1294-N1311 PolarHBondContact O-N 3.49Å; R1309-N1311 WeakPolarHBondContact CD-OD1 3.44Å; R1309-N1311 WeakPolarHBondContact CG-OD1 3.31Å |
| 1312 | Y | 90.7 | Very high | 72.3 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.2 | 167.9 | -59.5 | -98.5 | 0 | 0 | 0 | 109.1 | H1182 L1241 L1255 L1256 I1258 I1293 L1310 F1314 I1403 | H1182-Y1312 AromaticContact CE1-CE1 3.93Å; H1182-Y1312 AromaticContact CE1-CZ 3.85Å; H1182-Y1312 PolarHBondContact CE1-OH 2.8Å; H1182-Y1312 PolarHBondContact ND1-OH 2.02Å; L1241-Y1312 HydrophobicContact CD2-CD1 4.13Å; L1255-Y1312 WeakPolarHBondContact CA-O 3.27Å; L1256-Y1312 HydrophobicContact CD2-CD2 4.16Å; L1256-Y1312 HydrophobicContact CG-CD2 4.34Å; L1256-Y1312 PolarHBondContact N-O 3.49Å; L1256-Y1312 PolarHBondContact O-N 2.89Å; I1258-Y1312 HydrophobicContact CD1-CD2 4.5Å; I1258-Y1312 HydrophobicContact CD1-CE2 4.01Å; I1293-Y1312 HydrophobicContact CB-CD1 4.47Å; I1293-Y1312 HydrophobicContact CD1-CD1 3.91Å; I1293-Y1312 HydrophobicContact CD1-CE1 3.93Å; I1293-Y1312 HydrophobicContact CG1-CD1 3.85Å; I1293-Y1312 HydrophobicContact CG1-CE1 4.31Å; I1293-Y1312 HydrophobicContact CG2-CD1 3.85Å; I1293-Y1312 HydrophobicContact CG2-CE1 3.91Å; I1293-Y1312 HydrophobicContact CG2-CG 4.29Å; L1310-Y1312 HydrophobicContact CD2-CE1 4.47Å; L1310-Y1312 HydrophobicContact CD2-CE2 3.72Å; L1310-Y1312 HydrophobicContact CG-CE2 4.26Å; Y1312-F1314 HydrophobicContact CG-CE2 4.34Å; Y1312-F1314 HydrophobicContact CG-CZ 4.43Å; Y1312-I1403 HydrophobicContact CE2-CD1 4.11Å |
| 1313 | H | 92 | Very high | 73.6 | Confident | 20 Ų | 20 | 28.6 Ų | 28.6 | 9% | 0.093 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.5 | 167.6 | -66.1 | -97.2 | 0 | 0 | 0 | 109.5 | R1242 E1253 G1254 D1292 | R1242-H1313 HydrophobicContact CB-CB 4.18Å; R1242-H1313 PolarHBondContact N-O 2.98Å; R1242-H1313 VanDerWaalsContact NH2-CG 3.35Å; R1242-H1313 PolarHBondContact NH2-ND1 3.05Å; E1253-H1313 IonicContact OE1-CE1 2.71Å; E1253-H1313 IonicContact OE1-CG 2.72Å; E1253-H1313 IonicContact OE1-ND1 3.13Å; E1253-H1313 PolarHBondContact OE1-ND1 3.12Å; G1254-H1313 CarbonylContact O-C 3.52Å; G1254-H1313 WeakPolarHBondContact O-CA 3.35Å; D1292-H1313 HydrophobicContact CB-CB 3.84Å; D1292-H1313 PolarHBondContact O-CD2 2.98Å; D1292-H1313 PolarHBondContact O-N 2.86Å |
| 1314 | F | 94.1 | Very high | 74.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 150.3 | 177.4 | -70.1 | -78.3 | 0 | 0 | 0 | 110.3 | C1239 V1240 L1241 E1253 G1254 L1256 Y1312 Y1340 T1389 P1390 I1403 | C1239-F1314 HydrophobicContact CB-CB 4.36Å; C1239-F1314 HydrophobicContact CB-CD1 4.18Å; V1240-F1314 WeakPolarHBondContact O-CA 3.14Å; L1241-F1314 HydrophobicContact CD2-CD1 3.79Å; L1241-F1314 HydrophobicContact CD2-CE1 3.61Å; L1241-F1314 HydrophobicContact CD2-CG 4.41Å; L1241-F1314 HydrophobicContact CD2-CZ 4.11Å; L1241-F1314 HydrophobicContact CG-CD1 4.32Å; L1241-F1314 HydrophobicContact CG-CE1 4.15Å; E1253-F1314 WeakPolarHBondContact CA-O 3.28Å; G1254-F1314 PolarHBondContact N-O 3.2Å; G1254-F1314 PolarHBondContact O-N 2.96Å; L1256-F1314 HydrophobicContact CB-CD2 4.34Å; L1256-F1314 HydrophobicContact CB-CE2 3.92Å; L1256-F1314 HydrophobicContact CD2-CE2 3.99Å; Y1312-F1314 HydrophobicContact CG-CE2 4.34Å; Y1312-F1314 HydrophobicContact CG-CZ 4.43Å; F1314-Y1340 HydrophobicContact CD1-CD2 4.3Å; F1314-Y1340 HydrophobicContact CD1-CE2 4.49Å; F1314-Y1340 HydrophobicContact CD1-CG 4.43Å; F1314-Y1340 AromaticContact CE1-CD1 3.86Å; F1314-Y1340 HydrophobicContact CE1-CD1 3.86Å; F1314-Y1340 AromaticContact CE1-CD2 3.93Å; F1314-Y1340 HydrophobicContact CE1-CD2 3.93Å; F1314-Y1340 AromaticContact CE1-CE1 3.81Å; F1314-Y1340 HydrophobicContact CE1-CE1 3.81Å; F1314-Y1340 AromaticContact CE1-CE2 3.87Å; F1314-Y1340 HydrophobicContact CE1-CE2 3.87Å; F1314-Y1340 AromaticContact CE1-CG 3.91Å; F1314-Y1340 HydrophobicContact CE1-CG 3.91Å; F1314-Y1340 AromaticContact CE1-CZ 3.8Å; F1314-Y1340 HydrophobicContact CZ-CD1 4.48Å; F1314-Y1340 HydrophobicContact CZ-CE1 4.28Å; F1314-T1389 HydrophobicContact CD2-CG2 4.08Å; F1314-P1390 HydrophobicContact CD1-CG 3.98Å; F1314-P1390 HydrophobicContact CD2-CG 4.42Å; F1314-P1390 HydrophobicContact CE1-CG 3.58Å; F1314-P1390 HydrophobicContact CE2-CG 4.04Å; F1314-P1390 HydrophobicContact CG-CG 4.39Å; F1314-P1390 HydrophobicContact CZ-CG 3.6Å; F1314-I1403 HydrophobicContact CZ-CG2 4.16Å |
| 1315 | C | 90.4 | Very high | 75.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 115 | 166.2 | -62.4 | 0 | 0 | 0 | 0 | 106.5 | C1239 V1240 R1242 C1247 F1251 S1252 | C1239-C1315 CarbonylContact C-O 3.45Å; C1239-C1315 WeakPolarHBondContact CA-O 3.32Å; C1239-C1315 WeakPolarHBondContact CB-O 3.33Å; V1240-C1315 HydrophobicContact CG2-CB 3.88Å; V1240-C1315 PolarHBondContact N-O 3.39Å; V1240-C1315 PolarHBondContact O-N 3.35Å; R1242-C1315 WeakPolarHBondContact CB-SG 3.43Å; C1247-C1315 WeakPolarHBondContact CA-SG 3.39Å; C1247-C1315 HydrophobicContact CB-CB 3.78Å; C1247-C1315 WeakPolarHBondContact CB-SG 3.46Å; C1247-C1315 VanDerWaalsContact SG-CA 3.58Å; C1247-C1315 WeakPolarHBondContact SG-CB 3.43Å; C1247-C1315 CovalentContact SG-SG 2.04Å; C1247-C1315 PolarHBondContact SG-SG 3.25Å; F1251-C1315 HydrophobicContact CB-CB 3.71Å; F1251-C1315 VanDerWaalsContact CD1-C 3.47Å; F1251-C1315 HydrophobicContact CD1-CB 4.08Å; F1251-C1315 VanDerWaalsContact CD1-O 3.26Å; F1251-C1315 WeakPolarHBondContact CD1-O 3.15Å; F1251-C1315 HydrophobicContact CG-CB 4.04Å; S1252-C1315 CarbonylContact O-C 3.55Å; S1252-C1315 WeakPolarHBondContact O-CA 3.42Å |
| 1316 | C | 91 | Very high | 76.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.8 | -172.5 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | Y1238 C1239 S1252 V1342 L1388 | Y1238-C1316 WeakPolarHBondContact O-CA 3.37Å; C1239-C1316 HydrophobicContact CB-CB 3.95Å; C1239-C1316 WeakPolarHBondContact CB-SG 3.34Å; C1239-C1316 WeakPolarHBondContact SG-CB 3.41Å; C1239-C1316 CovalentContact SG-SG 2.03Å; C1239-C1316 PolarHBondContact SG-SG 2.99Å; S1252-C1316 PolarHBondContact N-O 3.09Å; S1252-C1316 PolarHBondContact O-N 2.95Å; S1252-C1316 PolarHBondContact OG-O 2.91Å; C1316-V1342 HydrophobicContact CB-CG2 4.33Å; C1316-L1388 HydrophobicContact CB-CB 3.71Å; C1316-L1388 PolarHBondContact SG-O 2.72Å |
| 1317 | R | 84.5 | Confident | 77.7 | Confident | 10 Ų | 10 | 25.1 Ų | 25.1 | 4% | 0.038 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 154.9 | 172.8 | 72.5 | -167.1 | -65.4 | 157.7 | -0.2 | 111.4 | L1233 G1236 H1237 Y1238 D1250 F1251 D1319 | L1233-R1317 PolarHBondContact O-NH1 2.79Å; G1236-R1317 CarbonylContact O-C 3.53Å; G1236-R1317 VanDerWaalsContact O-C 3.23Å; G1236-R1317 VanDerWaalsContact O-O 3.1Å; H1237-R1317 WeakPolarHBondContact CA-O 3.32Å; Y1238-R1317 HydrophobicContact CD1-CG 4.5Å; Y1238-R1317 HydrophobicContact CE1-CG 4.16Å; Y1238-R1317 PolarHBondContact N-O 3.31Å; Y1238-R1317 VanDerWaalsContact N-O 3.09Å; Y1238-R1317 PolarHBondContact O-N 3.01Å; D1250-R1317 IonicContact OD2-NH2 3.13Å; D1250-R1317 PolarHBondContact OD2-NH2 2.86Å; F1251-R1317 HydrophobicContact CD1-CB 3.83Å; F1251-R1317 HydrophobicContact CD1-CG 3.91Å; F1251-R1317 HydrophobicContact CE1-CB 4.1Å; F1251-R1317 VanDerWaalsContact CE1-CD 3.43Å; F1251-R1317 HydrophobicContact CE1-CG 3.62Å; F1251-R1317 HydrophobicContact CG-CB 4.26Å; F1251-R1317 HydrophobicContact CZ-CG 4.05Å; R1317-D1319 WeakPolarHBondContact CG-OD1 3.07Å; R1317-D1319 IonicContact CZ-OD1 3.5Å; R1317-D1319 IonicContact CZ-OD2 3.35Å; R1317-D1319 IonicContact NE-OD1 3.57Å; R1317-D1319 PolarHBondContact NE-OD1 2.9Å; R1317-D1319 IonicContact NE-OD2 3.92Å; R1317-D1319 PolarHBondContact NE-OD2 3.41Å; R1317-D1319 IonicContact NH2-OD1 3.98Å; R1317-D1319 IonicContact NH2-OD2 3.36Å; R1317-D1319 PolarHBondContact NH2-OD2 3.12Å |
| 1318 | T | 76.9 | Confident | 78.1 | Confident | 68 Ų | 68 | 30.3 Ų | 30.3 | 42% | 0.417 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 56.2 | -174.6 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | G1236 V1342 L1388 | G1236-T1318 CarbonylContact O-C 3.47Å; G1236-T1318 WeakPolarHBondContact O-CA 3.45Å; G1236-T1318 PolarHBondContact O-N 2.83Å; T1318-V1342 HydrophobicContact CG2-CB 4.42Å; T1318-V1342 HydrophobicContact CG2-CG1 3.51Å; T1318-L1388 HydrophobicContact CG2-CD2 4.17Å |
| 1319 | D | 72.3 | Confident | 78.1 | Confident | 52 Ų | 52 | 31.7 Ų | 31.7 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | trans | -120.7 | 7.4 | -169 | 63.8 | -35.7 | 0 | 0 | 0 | 114.1 | R819 A1235 G1236 R1317 | R819-D1319 PolarHBondContact NH1-O 2.94Å; A1235-D1319 WeakPolarHBondContact CA-OD1 3.25Å; A1235-D1319 WeakPolarHBondContact CA-OD2 3.08Å; A1235-D1319 HydrophobicContact CB-CB 4.49Å; A1235-D1319 WeakPolarHBondContact CB-OD2 3.16Å; G1236-D1319 PolarHBondContact N-OD1 3.19Å; G1236-D1319 PolarHBondContact O-N 2.97Å; G1236-D1319 VanDerWaalsContact O-OD1 3.11Å; R1317-D1319 WeakPolarHBondContact CG-OD1 3.07Å; R1317-D1319 IonicContact CZ-OD1 3.5Å; R1317-D1319 IonicContact CZ-OD2 3.35Å; R1317-D1319 IonicContact NE-OD1 3.57Å; R1317-D1319 PolarHBondContact NE-OD1 2.9Å; R1317-D1319 IonicContact NE-OD2 3.92Å; R1317-D1319 PolarHBondContact NE-OD2 3.41Å; R1317-D1319 IonicContact NH2-OD1 3.98Å; R1317-D1319 IonicContact NH2-OD2 3.36Å; R1317-D1319 PolarHBondContact NH2-OD2 3.12Å | ||
| 1320 | S | 67.9 | Low | 78 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -65.5 | 168.5 | 159.3 | -133.7 | 0 | 0 | 0 | 0 | 112 | R819 H1237 S1322 I1327 Q1347 | R819-S1320 PolarHBondContact NH1-O 3.3Å; R819-S1320 VanDerWaalsContact NH1-O 3.15Å; H1237-S1320 PolarHBondContact CE1-O 2.87Å; H1237-S1320 VanDerWaalsContact ND1-CB 3.25Å; H1237-S1320 WeakPolarHBondContact ND1-CB 2.99Å; S1320-S1322 WeakPolarHBondContact CB-O 3.35Å; S1320-S1322 PolarHBondContact OG-O 3.23Å; S1320-I1327 WeakPolarHBondContact OG-CG2 3.17Å; S1320-Q1347 VanDerWaalsContact OG-CD 3.29Å; S1320-Q1347 PolarHBondContact OG-NE2 2.77Å; S1320-Q1347 PolarHBondContact OG-OE1 3.14Å |
| 1321 | P | 60.6 | Low | 77.3 | Confident | 62 Ų | 62 | 32 Ų | 32 | 40% | 0.403 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -68.6 | -44.1 | 170.4 | -3.8 | 18.1 | 0 | 0 | 0 | 111.3 | R819 S1325 | R819-P1321 HydrophobicContact CG-CB 4.18Å; R819-P1321 VanDerWaalsContact CZ-N 3.28Å; P1321-S1325 WeakPolarHBondContact CG-OG 3.33Å |
| 1322 | S | 64.8 | Low | 76 | Confident | 17 Ų | 17 | 32 Ų | 32 | 12% | 0.119 | 20% | 0.197 | C | C | . | . | trans | -153.6 | 158.2 | 180 | 173.6 | 0 | 0 | 0 | 0 | 107.5 | S1320 D1324 S1325 Q1347 | S1320-S1322 WeakPolarHBondContact CB-O 3.35Å; S1320-S1322 PolarHBondContact OG-O 3.23Å; S1322-D1324 PolarHBondContact O-N 2.88Å; S1322-D1324 PolarHBondContact OG-N 3.15Å; S1322-D1324 VanDerWaalsContact OG-N 3.08Å; S1322-S1325 PolarHBondContact O-N 3Å; S1322-Q1347 PolarHBondContact O-NE2 3.28Å; S1322-Q1347 PolarHBondContact O-OE1 3.14Å | ||
| 1323 | V | 73 | Confident | 74.5 | Confident | 26 Ų | 26 | 38 Ų | 38 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.8 | 163.4 | -92.2 | 0 | 0 | 0 | 0 | 112 | H1237 S1325 K1345 C1346 Q1347 Q1348 | H1237-V1323 HydrophobicContact CB-CG1 3.57Å; V1323-S1325 VanDerWaalsContact C-N 3.33Å; V1323-S1325 PolarHBondContact O-N 3.33Å; V1323-K1345 HydrophobicContact CB-CB 3.99Å; V1323-K1345 HydrophobicContact CG1-CB 4.29Å; V1323-K1345 WeakPolarHBondContact CG1-O 3.16Å; V1323-K1345 HydrophobicContact CG2-CB 3.94Å; V1323-K1345 HydrophobicContact CG2-CD 4.12Å; V1323-K1345 HydrophobicContact CG2-CG 4.48Å; V1323-C1346 WeakPolarHBondContact CB-O 3.41Å; V1323-Q1347 CarbonylContact O-C 3.54Å; V1323-Q1347 WeakPolarHBondContact O-CA 3.26Å; V1323-Q1347 PolarHBondContact O-NE2 3.15Å; V1323-Q1348 PolarHBondContact O-N 3.19Å |
| 1324 | D | 74.6 | Confident | 73.1 | Confident | 85 Ų | 85 | 39.1 Ų | 39.1 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8.8 | -179.1 | -64.4 | -57.4 | 0 | 0 | 0 | 114.4 | S1322 K1345 | S1322-D1324 PolarHBondContact O-N 2.88Å; S1322-D1324 PolarHBondContact OG-N 3.15Å; S1322-D1324 VanDerWaalsContact OG-N 3.08Å; D1324-K1345 WeakPolarHBondContact OD1-CD 3.47Å; D1324-K1345 IonicContact OD1-NZ 2.77Å; D1324-K1345 PolarHBondContact OD1-NZ 2.91Å; D1324-K1345 IonicContact OD2-NZ 3.71Å; D1324-K1345 PolarHBondContact OD2-NZ 3.22Å |
| 1325 | S | 62.9 | Low | 72 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -85.9 | 124.6 | -179.6 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | P1321 S1322 V1323 I1327 Q1347 Q1348 | P1321-S1325 WeakPolarHBondContact CG-OG 3.33Å; S1322-S1325 PolarHBondContact O-N 3Å; V1323-S1325 VanDerWaalsContact C-N 3.33Å; V1323-S1325 PolarHBondContact O-N 3.33Å; S1325-I1327 PolarHBondContact O-N 2.94Å; S1325-Q1347 PolarHBondContact O-NE2 2.93Å; S1325-Q1348 VanDerWaalsContact O-O 3.12Å |
| 1326 | P | 75 | Confident | 71.5 | Confident | 78 Ų | 78 | 41.4 Ų | 41.4 | 51% | 0.506 | 25% | 0.253 | S | S | . | . | trans | -58.2 | 132.1 | 174.1 | -22.7 | 32.8 | 0 | 0 | 0 | 112.3 | Q1348 T1350 | P1326-Q1348 CarbonylContact C-O 3.58Å; P1326-Q1348 WeakPolarHBondContact CA-O 3.38Å; P1326-Q1348 HydrophobicContact CB-CG 4.27Å; P1326-Q1348 HydrophobicContact CG-CG 3.91Å; P1326-T1350 WeakPolarHBondContact CB-OG1 3.45Å | ||
| 1327 | I | 76.1 | Confident | 71.3 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -106.2 | 138.2 | 172.4 | 63.9 | 173.8 | 0 | 0 | 0 | 111.6 | A1235 Y1238 S1320 S1325 F1330 Q1347 Q1348 I1349 T1350 | A1235-I1327 WeakPolarHBondContact O-CD1 3.44Å; A1235-I1327 WeakPolarHBondContact O-CG2 3.21Å; Y1238-I1327 HydrophobicContact CE1-CD1 4.43Å; S1320-I1327 WeakPolarHBondContact OG-CG2 3.17Å; S1325-I1327 PolarHBondContact O-N 2.94Å; I1327-F1330 HydrophobicContact CD1-CD2 3.99Å; I1327-F1330 HydrophobicContact CD1-CE2 3.76Å; I1327-F1330 HydrophobicContact CG1-CD2 4.44Å; I1327-Q1347 HydrophobicContact CD1-CG 3.75Å; I1327-Q1347 HydrophobicContact CG1-CG 4.22Å; I1327-Q1347 HydrophobicContact CG2-CG 4.34Å; I1327-Q1348 PolarHBondContact N-O 2.87Å; I1327-I1349 HydrophobicContact CD1-CG1 4.28Å; I1327-I1349 HydrophobicContact CG1-CB 4.44Å; I1327-I1349 HydrophobicContact CG1-CG1 3.86Å; I1327-I1349 WeakPolarHBondContact O-CG2 3.22Å; I1327-T1350 PolarHBondContact O-N 3.43Å; I1327-T1350 PolarHBondContact O-OG1 2.94Å |
| 1328 | D | 73.2 | Confident | 71.5 | Confident | 114 Ų | 114 | 41 Ų | 41 | 61% | 0.61 | 25% | 0.252 | S | S | * | . | trans | -88.7 | 163.9 | 170.6 | -63.2 | -37.6 | 0 | 0 | 0 | 111.1 | P1234 T1350 | P1234-D1328 VanDerWaalsContact CB-O 3.23Å; P1234-D1328 WeakPolarHBondContact CB-O 3.3Å; D1328-T1350 WeakPolarHBondContact OD1-CB 3.46Å; D1328-T1350 WeakPolarHBondContact OD1-CG2 3.22Å; D1328-T1350 PolarHBondContact OD1-OG1 3.26Å | ||
| 1329 | G | 71.1 | Confident | 72.2 | Confident | 34 Ų | 34 | 37.9 Ų | 37.9 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | trans | 107.6 | -19.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1330 | F | 76.6 | Confident | 73.1 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -77.2 | 126.8 | 163.3 | -74.7 | -65.5 | 0 | 0 | 0 | 109.8 | W1157 L1233 P1234 Y1238 I1327 A1332 F1337 L1339 I1349 | W1157-F1330 HydrophobicContact CE3-CD1 4.31Å; W1157-F1330 HydrophobicContact CE3-CE1 4.28Å; W1157-F1330 AromaticContact CH2-CD1 3.59Å; W1157-F1330 HydrophobicContact CH2-CD1 3.59Å; W1157-F1330 AromaticContact CH2-CE1 3.7Å; W1157-F1330 HydrophobicContact CH2-CE1 3.7Å; W1157-F1330 HydrophobicContact CZ2-CD1 4.11Å; W1157-F1330 AromaticContact CZ3-CD1 3.71Å; W1157-F1330 HydrophobicContact CZ3-CD1 3.71Å; W1157-F1330 AromaticContact CZ3-CE1 3.49Å; W1157-F1330 HydrophobicContact CZ3-CE1 3.49Å; W1157-F1330 VanDerWaalsContact CZ3-CE1 3.49Å; L1233-F1330 HydrophobicContact CD2-CE1 3.7Å; L1233-F1330 HydrophobicContact CD2-CZ 4.12Å; P1234-F1330 HydrophobicContact CG-CD1 4.19Å; P1234-F1330 HydrophobicContact CG-CD2 3.5Å; P1234-F1330 VanDerWaalsContact CG-CD2 3.5Å; P1234-F1330 HydrophobicContact CG-CE1 4.07Å; P1234-F1330 HydrophobicContact CG-CE2 3.4Å; P1234-F1330 HydrophobicContact CG-CG 3.92Å; P1234-F1330 HydrophobicContact CG-CZ 3.69Å; Y1238-F1330 HydrophobicContact CE1-CE2 4.11Å; Y1238-F1330 HydrophobicContact CE1-CZ 4.13Å; Y1238-F1330 HydrophobicContact CE2-CZ 4.06Å; Y1238-F1330 AromaticContact CZ-CZ 3.68Å; I1327-F1330 HydrophobicContact CD1-CD2 3.99Å; I1327-F1330 HydrophobicContact CD1-CE2 3.76Å; I1327-F1330 HydrophobicContact CG1-CD2 4.44Å; F1330-A1332 PolarHBondContact O-N 2.8Å; F1330-F1337 HydrophobicContact CB-CE1 4.38Å; F1330-F1337 HydrophobicContact CB-CZ 3.84Å; F1330-F1337 HydrophobicContact CD1-CE2 4.25Å; F1330-F1337 HydrophobicContact CD1-CZ 4.06Å; F1330-F1337 HydrophobicContact CD2-CZ 4.45Å; F1330-F1337 HydrophobicContact CG-CE2 4.34Å; F1330-F1337 AromaticContact CG-CZ 3.87Å; F1330-F1337 HydrophobicContact CG-CZ 3.87Å; F1330-L1339 HydrophobicContact CE1-CD1 4.48Å; F1330-L1339 HydrophobicContact CE1-CD2 4.29Å; F1330-L1339 HydrophobicContact CE2-CD1 3.71Å; F1330-L1339 HydrophobicContact CZ-CD1 3.65Å; F1330-L1339 HydrophobicContact CZ-CD2 4.01Å; F1330-L1339 HydrophobicContact CZ-CG 4.46Å; F1330-I1349 HydrophobicContact CB-CD1 4.39Å; F1330-I1349 HydrophobicContact CB-CG2 4.17Å; F1330-I1349 HydrophobicContact CD2-CD1 3.54Å; F1330-I1349 HydrophobicContact CD2-CG1 4.19Å; F1330-I1349 HydrophobicContact CE2-CD1 4.08Å; F1330-I1349 HydrophobicContact CG-CD1 4.15Å |
| 1331 | P | 68.1 | Low | 74.2 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -80.1 | 95.2 | -174.6 | 31.9 | -36.3 | 0 | 0 | 0 | 111.1 | R1155 W1157 E1333 T1334 | R1155-P1331 HydrophobicContact CB-CB 4.38Å; R1155-P1331 VanDerWaalsContact O-CB 3.3Å; R1155-P1331 WeakPolarHBondContact O-CB 2.95Å; W1157-P1331 VanDerWaalsContact CD1-CG 3.43Å; W1157-P1331 HydrophobicContact CG-CG 4.12Å; P1331-E1333 PolarHBondContact O-N 3.01Å; P1331-T1334 HydrophobicContact CB-CG2 3.9Å; P1331-T1334 HydrophobicContact CG-CG2 3.64Å; P1331-T1334 WeakPolarHBondContact O-CB 3.37Å; P1331-T1334 PolarHBondContact O-N 2.76Å; P1331-T1334 PolarHBondContact O-OG1 3.42Å | ||
| 1332 | A | 59.4 | Low | 75.2 | Confident | 23 Ų | 23 | 33.9 Ų | 33.9 | 19% | 0.19 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -55.4 | -23.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1330 T1334 M1352 Q1410 | F1330-A1332 PolarHBondContact O-N 2.8Å; A1332-T1334 VanDerWaalsContact C-N 3.29Å; A1332-T1334 PolarHBondContact O-N 2.7Å; A1332-M1352 HydrophobicContact CB-CE 4.46Å; A1332-M1352 HydrophobicContact CB-CG 3.86Å; A1332-M1352 HydrophobicContact CB-SD 3.89Å; A1332-Q1410 HydrophobicContact CB-CG 4.44Å |
| 1333 | E | 59.4 | Low | 75.8 | Confident | 128 Ų | 128 | 35.6 Ų | 35.6 | 60% | 0.598 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -76.5 | -9.5 | 176.4 | -57.6 | -150.7 | 143.6 | 0 | 0 | 114.4 | P1331 G1335 | P1331-E1333 PolarHBondContact O-N 3.01Å; E1333-G1335 PolarHBondContact O-N 3.18Å |
| 1334 | T | 63.8 | Low | 75.7 | Confident | 42 Ų | 42 | 40 Ų | 40 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -78.3 | 1.6 | -177.6 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | W1157 P1331 A1332 | W1157-T1334 PolarHBondContact NE1-OG1 2.99Å; P1331-T1334 HydrophobicContact CB-CG2 3.9Å; P1331-T1334 HydrophobicContact CG-CG2 3.64Å; P1331-T1334 WeakPolarHBondContact O-CB 3.37Å; P1331-T1334 PolarHBondContact O-N 2.76Å; P1331-T1334 PolarHBondContact O-OG1 3.42Å; A1332-T1334 VanDerWaalsContact C-N 3.29Å; A1332-T1334 PolarHBondContact O-N 2.7Å |
| 1335 | G | 69.5 | Low | 75.8 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | trans | 86.4 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1333 | E1333-G1335 PolarHBondContact O-N 3.18Š| ||
| 1336 | P | 79.8 | Confident | 76.9 | Confident | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | trans | -83.4 | 143.4 | -169.5 | 33 | -36 | 0 | 0 | 0 | 113.3 | S1167 N1169 Y1407 Y1408 E1409 | S1167-P1336 WeakPolarHBondContact CB-O 3.2Å; S1167-P1336 PolarHBondContact OG-O 3.22Å; N1169-P1336 HydrophobicContact CB-CG 3.7Å; N1169-P1336 WeakPolarHBondContact ND2-CG 3.27Å; P1336-Y1407 HydrophobicContact CB-CE1 4.5Å; P1336-Y1407 HydrophobicContact CB-CE2 3.8Å; P1336-Y1407 WeakPolarHBondContact CB-OH 3.2Å; P1336-Y1407 HydrophobicContact CG-CE2 4.28Å; P1336-Y1407 WeakPolarHBondContact CG-OH 3.41Å; P1336-Y1408 CarbonylContact C-O 3.3Å; P1336-Y1408 WeakPolarHBondContact CA-O 3.3Å; P1336-Y1408 WeakPolarHBondContact CB-O 3.11Å; P1336-E1409 HydrophobicContact CB-CB 3.91Å | ||
| 1337 | F | 87.2 | Confident | 77.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 170.7 | -168.2 | 60.8 | -94.8 | 0 | 0 | 0 | 112.6 | W1157 I1164 P1172 F1330 L1339 I1349 M1352 Y1407 Y1408 | W1157-F1337 HydrophobicContact CH2-CB 4.27Å; W1157-F1337 HydrophobicContact CH2-CD1 4.1Å; W1157-F1337 AromaticContact CH2-CD2 3.57Å; W1157-F1337 HydrophobicContact CH2-CD2 3.57Å; W1157-F1337 HydrophobicContact CH2-CE1 4.28Å; W1157-F1337 AromaticContact CH2-CE2 3.8Å; W1157-F1337 HydrophobicContact CH2-CE2 3.8Å; W1157-F1337 AromaticContact CH2-CG 3.73Å; W1157-F1337 HydrophobicContact CH2-CG 3.73Å; W1157-F1337 HydrophobicContact CH2-CZ 4.14Å; W1157-F1337 HydrophobicContact CZ2-CB 4.07Å; W1157-F1337 AromaticContact CZ2-CD1 3.54Å; W1157-F1337 HydrophobicContact CZ2-CD1 3.54Å; W1157-F1337 AromaticContact CZ2-CD2 3.9Å; W1157-F1337 HydrophobicContact CZ2-CD2 3.9Å; W1157-F1337 AromaticContact CZ2-CE1 3.81Å; W1157-F1337 HydrophobicContact CZ2-CE1 3.81Å; W1157-F1337 HydrophobicContact CZ2-CE2 4.17Å; W1157-F1337 AromaticContact CZ2-CG 3.57Å; W1157-F1337 HydrophobicContact CZ2-CG 3.57Å; W1157-F1337 HydrophobicContact CZ2-CZ 4.11Å; I1164-F1337 HydrophobicContact CD1-CB 4.23Å; P1172-F1337 HydrophobicContact CG-CB 4.45Å; F1330-F1337 HydrophobicContact CB-CE1 4.38Å; F1330-F1337 HydrophobicContact CB-CZ 3.84Å; F1330-F1337 HydrophobicContact CD1-CE2 4.25Å; F1330-F1337 HydrophobicContact CD1-CZ 4.06Å; F1330-F1337 HydrophobicContact CD2-CZ 4.45Å; F1330-F1337 HydrophobicContact CG-CE2 4.34Å; F1330-F1337 AromaticContact CG-CZ 3.87Å; F1330-F1337 HydrophobicContact CG-CZ 3.87Å; F1337-L1339 HydrophobicContact CD2-CD2 4.49Å; F1337-L1339 HydrophobicContact CD2-CG 4.24Å; F1337-L1339 HydrophobicContact CE2-CD1 4.13Å; F1337-L1339 HydrophobicContact CE2-CD2 4.42Å; F1337-L1339 HydrophobicContact CE2-CG 4.01Å; F1337-I1349 HydrophobicContact CE2-CD1 3.91Å; F1337-I1349 HydrophobicContact CZ-CD1 3.63Å; F1337-M1352 HydrophobicContact CD1-CE 4.23Å; F1337-M1352 HydrophobicContact CE1-CE 3.64Å; F1337-M1352 HydrophobicContact CE1-SD 3.7Å; F1337-M1352 HydrophobicContact CZ-CE 4.42Å; F1337-M1352 HydrophobicContact CZ-SD 4.05Å; F1337-Y1407 WeakPolarHBondContact O-CA 3.39Å; F1337-Y1408 AromaticContact CD2-CD2 3.86Å; F1337-Y1408 HydrophobicContact CD2-CD2 3.86Å; F1337-Y1408 HydrophobicContact CD2-CG 4.48Å; F1337-Y1408 AromaticContact CE2-CD2 3.52Å; F1337-Y1408 HydrophobicContact CE2-CD2 3.52Å; F1337-Y1408 HydrophobicContact CE2-CE2 4.26Å; F1337-Y1408 AromaticContact CE2-CG 3.93Å; F1337-Y1408 HydrophobicContact CE2-CG 3.93Å; F1337-Y1408 HydrophobicContact CZ-CD2 4.21Å; F1337-Y1408 HydrophobicContact CZ-CG 4.16Å; F1337-Y1408 PolarHBondContact N-O 3.19Å; F1337-Y1408 PolarHBondContact O-N 2.8Å |
| 1338 | Y | 88.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 146.1 | 174.5 | -80.1 | -84 | 0 | 0 | 0 | 112.8 | I1164 P1165 H1196 L1197 E1357 L1405 C1406 Y1407 | I1164-Y1338 WeakPolarHBondContact CB-O 3.33Å; P1165-Y1338 HydrophobicContact CB-CD2 4.32Å; P1165-Y1338 HydrophobicContact CB-CG 4.18Å; H1196-Y1338 WeakPolarHBondContact CA-OH 3.45Å; H1196-Y1338 HydrophobicContact CB-CE2 4.3Å; H1196-Y1338 VanDerWaalsContact CB-OH 3.3Å; H1196-Y1338 WeakPolarHBondContact CB-OH 3.43Å; H1196-Y1338 PolarHBondContact N-OH 2.88Å; L1197-Y1338 HydrophobicContact CB-CE2 4.44Å; L1197-Y1338 HydrophobicContact CD2-CD1 4.44Å; L1197-Y1338 HydrophobicContact CD2-CD2 3.83Å; L1197-Y1338 HydrophobicContact CD2-CE1 4.19Å; L1197-Y1338 HydrophobicContact CD2-CE2 3.57Å; L1197-Y1338 HydrophobicContact CD2-CG 4.25Å; L1197-Y1338 HydrophobicContact CG-CE1 4.32Å; L1197-Y1338 HydrophobicContact CG-CE2 3.88Å; L1197-Y1338 PolarHBondContact N-OH 3.02Å; Y1338-E1357 PolarHBondContact OH-OE1 2.81Å; Y1338-E1357 PolarHBondContact OH-OE2 3.43Å; Y1338-L1405 HydrophobicContact CD1-CB 4.02Å; Y1338-L1405 HydrophobicContact CD1-CD1 4.23Å; Y1338-L1405 HydrophobicContact CD1-CD2 4.3Å; Y1338-L1405 HydrophobicContact CD1-CG 4.44Å; Y1338-L1405 HydrophobicContact CE1-CB 4.15Å; Y1338-L1405 HydrophobicContact CE1-CD1 4.11Å; Y1338-C1406 CarbonylContact C-O 3.47Å; Y1338-C1406 VanDerWaalsContact CA-O 3.28Å; Y1338-C1406 WeakPolarHBondContact CA-O 3.1Å; Y1338-Y1407 HydrophobicContact CD2-CD2 4.33Å; Y1338-Y1407 HydrophobicContact CE1-CD2 4.32Å; Y1338-Y1407 HydrophobicContact CE1-CG 4.49Å; Y1338-Y1407 AromaticContact CE2-CD2 3.87Å; Y1338-Y1407 HydrophobicContact CE2-CD2 3.87Å; Y1338-Y1407 AromaticContact CZ-CD2 3.88Å |
| 1339 | L | 91.6 | Very high | 78.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 161.2 | 155.4 | -54.9 | 170.2 | 0 | 0 | 0 | 108.9 | I1164 Y1238 V1240 F1330 F1337 I1349 C1406 Y1408 | I1164-L1339 HydrophobicContact CG2-CD2 4.16Å; Y1238-L1339 HydrophobicContact CD1-CD1 4.15Å; Y1238-L1339 HydrophobicContact CD2-CB 4.24Å; Y1238-L1339 HydrophobicContact CD2-CD1 3.93Å; Y1238-L1339 HydrophobicContact CD2-CD2 3.91Å; Y1238-L1339 HydrophobicContact CD2-CG 4.25Å; Y1238-L1339 HydrophobicContact CE2-CD1 4.36Å; Y1238-L1339 HydrophobicContact CE2-CD2 4.13Å; Y1238-L1339 HydrophobicContact CG-CB 4.33Å; Y1238-L1339 HydrophobicContact CG-CD1 3.82Å; Y1238-L1339 HydrophobicContact CG-CG 4.48Å; V1240-L1339 HydrophobicContact CG1-CD2 4.38Å; F1330-L1339 HydrophobicContact CE1-CD1 4.48Å; F1330-L1339 HydrophobicContact CE1-CD2 4.29Å; F1330-L1339 HydrophobicContact CE2-CD1 3.71Å; F1330-L1339 HydrophobicContact CZ-CD1 3.65Å; F1330-L1339 HydrophobicContact CZ-CD2 4.01Å; F1330-L1339 HydrophobicContact CZ-CG 4.46Å; F1337-L1339 HydrophobicContact CD2-CD2 4.49Å; F1337-L1339 HydrophobicContact CD2-CG 4.24Å; F1337-L1339 HydrophobicContact CE2-CD1 4.13Å; F1337-L1339 HydrophobicContact CE2-CD2 4.42Å; F1337-L1339 HydrophobicContact CE2-CG 4.01Å; L1339-I1349 HydrophobicContact CD1-CD1 4.35Å; L1339-C1406 PolarHBondContact N-O 2.91Å; L1339-C1406 PolarHBondContact O-N 3.46Å; L1339-Y1408 HydrophobicContact CB-CE2 3.89Å; L1339-Y1408 HydrophobicContact CD1-CD2 4.41Å; L1339-Y1408 HydrophobicContact CD1-CE2 3.69Å; L1339-Y1408 HydrophobicContact CG-CD2 4.34Å; L1339-Y1408 HydrophobicContact CG-CE2 3.76Å |
| 1340 | Y | 93 | Very high | 78.5 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 138.8 | 173.2 | -72.1 | -83.4 | 0 | 0 | 0 | 111.1 | P1165 Y1238 C1239 L1241 F1314 P1390 I1403 L1405 | P1165-Y1340 HydrophobicContact CG-CD2 4.42Å; P1165-Y1340 HydrophobicContact CG-CE1 4.19Å; P1165-Y1340 HydrophobicContact CG-CE2 3.71Å; Y1238-Y1340 CarbonylContact C-O 3.54Å; Y1238-Y1340 VanDerWaalsContact CA-O 3.24Å; Y1238-Y1340 WeakPolarHBondContact CA-O 2.96Å; Y1238-Y1340 WeakPolarHBondContact CB-O 3.44Å; C1239-Y1340 PolarHBondContact N-O 3.12Å; C1239-Y1340 WeakPolarHBondContact O-CB 3.23Å; C1239-Y1340 PolarHBondContact O-N 3.41Å; L1241-Y1340 HydrophobicContact CD1-CE2 4.06Å; L1241-Y1340 WeakPolarHBondContact CD1-OH 2.96Å; L1241-Y1340 HydrophobicContact CG-CE2 3.81Å; F1314-Y1340 HydrophobicContact CD1-CD2 4.3Å; F1314-Y1340 HydrophobicContact CD1-CE2 4.49Å; F1314-Y1340 HydrophobicContact CD1-CG 4.43Å; F1314-Y1340 AromaticContact CE1-CD1 3.86Å; F1314-Y1340 HydrophobicContact CE1-CD1 3.86Å; F1314-Y1340 AromaticContact CE1-CD2 3.93Å; F1314-Y1340 HydrophobicContact CE1-CD2 3.93Å; F1314-Y1340 AromaticContact CE1-CE1 3.81Å; F1314-Y1340 HydrophobicContact CE1-CE1 3.81Å; F1314-Y1340 AromaticContact CE1-CE2 3.87Å; F1314-Y1340 HydrophobicContact CE1-CE2 3.87Å; F1314-Y1340 AromaticContact CE1-CG 3.91Å; F1314-Y1340 HydrophobicContact CE1-CG 3.91Å; F1314-Y1340 AromaticContact CE1-CZ 3.8Å; F1314-Y1340 HydrophobicContact CZ-CD1 4.48Å; F1314-Y1340 HydrophobicContact CZ-CE1 4.28Å; Y1340-P1390 HydrophobicContact CD1-CB 4.2Å; Y1340-P1390 HydrophobicContact CD1-CG 3.74Å; Y1340-P1390 HydrophobicContact CG-CB 4.44Å; Y1340-P1390 HydrophobicContact CG-CG 4.04Å; Y1340-I1403 HydrophobicContact CD1-CG2 3.82Å; Y1340-I1403 HydrophobicContact CE1-CG2 3.57Å; Y1340-L1405 HydrophobicContact CD1-CD2 3.45Å; Y1340-L1405 VanDerWaalsContact CD1-CD2 3.45Å; Y1340-L1405 HydrophobicContact CE1-CD2 3.54Å; Y1340-L1405 HydrophobicContact CG-CD2 4.11Å |
| 1341 | R | 89.7 | Confident | 78.3 | Confident | 27 Ų | 27 | 34.7 Ų | 34.7 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 135.2 | -173.8 | -164.7 | 167.9 | 74.8 | 125.1 | 2.4 | 112.5 | D1344 K1345 C1346 E1356 P1390 N1404 C1406 | R1341-D1344 PolarHBondContact NH1-O 3.19Å; R1341-K1345 VanDerWaalsContact CG-O 3.26Å; R1341-K1345 WeakPolarHBondContact CG-O 3.27Å; R1341-C1346 WeakPolarHBondContact CD-SG 3.5Å; R1341-E1356 VanDerWaalsContact CD-OE1 3.25Å; R1341-E1356 WeakPolarHBondContact CD-OE1 3.19Å; R1341-E1356 IonicContact CZ-OE1 3.7Å; R1341-E1356 IonicContact CZ-OE2 2.95Å; R1341-E1356 IonicContact NE-OE1 2.76Å; R1341-E1356 IonicContact NH1-OE1 3.36Å; R1341-E1356 PolarHBondContact NH1-OE1 2.97Å; R1341-E1356 VanDerWaalsContact NH1-OE1 3.12Å; R1341-E1356 IonicContact NH1-OE2 3.42Å; R1341-E1356 PolarHBondContact NH1-OE2 2.87Å; R1341-P1390 VanDerWaalsContact O-CA 3.28Å; R1341-P1390 WeakPolarHBondContact O-CA 3.25Å; R1341-P1390 WeakPolarHBondContact O-CB 3.24Å; R1341-N1404 HydrophobicContact CB-CB 3.66Å; R1341-N1404 PolarHBondContact N-O 3.13Å; R1341-N1404 PolarHBondContact NE-OD1 3.25Å; R1341-N1404 PolarHBondContact NH2-OD1 3.43Å; R1341-C1406 VanDerWaalsContact CB-SG 3.54Å |
| 1342 | V | 81 | Confident | 78.8 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | trans | -121.5 | 121.8 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | Y1238 C1239 C1316 T1318 L1388 | Y1238-V1342 VanDerWaalsContact C-CG2 3.45Å; C1239-V1342 HydrophobicContact CB-CG2 4.42Å; C1239-V1342 WeakPolarHBondContact SG-CG2 3.49Å; C1316-V1342 HydrophobicContact CB-CG2 4.33Å; T1318-V1342 HydrophobicContact CG2-CB 4.42Å; T1318-V1342 HydrophobicContact CG2-CG1 3.51Å; V1342-L1388 HydrophobicContact CG1-CD2 3.88Å | ||
| 1343 | G | 78.3 | Confident | 79.7 | Confident | 53 Ų | 53 | 34.7 Ų | 34.7 | 55% | 0.546 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 87.6 | -157.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1344 | D | 71.1 | Confident | 80.8 | Confident | 118 Ų | 118 | 30 Ų | 30 | 63% | 0.631 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -92.4 | 1.5 | -171.8 | -69.1 | -68.5 | 0 | 0 | 0 | 114.9 | R1341 R1392 | R1341-D1344 PolarHBondContact NH1-O 3.19Å; D1344-R1392 IonicContact OD1-CZ 2.69Å; D1344-R1392 IonicContact OD1-NH1 3.74Å; D1344-R1392 PolarHBondContact OD1-NH1 2.71Å; D1344-R1392 IonicContact OD1-NH2 3.19Å |
| 1345 | K | 76.8 | Confident | 81.2 | Confident | 93 Ų | 93 | 29.7 Ų | 29.7 | 40% | 0.404 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -143.8 | 166.5 | 171.8 | -65.4 | -178.1 | 174.6 | -178.8 | 0 | 111.8 | V1323 D1324 R1341 E1356 | V1323-K1345 HydrophobicContact CB-CB 3.99Å; V1323-K1345 HydrophobicContact CG1-CB 4.29Å; V1323-K1345 WeakPolarHBondContact CG1-O 3.16Å; V1323-K1345 HydrophobicContact CG2-CB 3.94Å; V1323-K1345 HydrophobicContact CG2-CD 4.12Å; V1323-K1345 HydrophobicContact CG2-CG 4.48Å; D1324-K1345 WeakPolarHBondContact OD1-CD 3.47Å; D1324-K1345 IonicContact OD1-NZ 2.77Å; D1324-K1345 PolarHBondContact OD1-NZ 2.91Å; D1324-K1345 IonicContact OD2-NZ 3.71Å; D1324-K1345 PolarHBondContact OD2-NZ 3.22Å; R1341-K1345 VanDerWaalsContact CG-O 3.26Å; R1341-K1345 WeakPolarHBondContact CG-O 3.27Å; K1345-E1356 VanDerWaalsContact CA-OE1 3.24Å; K1345-E1356 WeakPolarHBondContact CA-OE1 3.29Å |
| 1346 | C | 86.4 | Confident | 81.6 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | trans | -78.3 | 159.2 | 164 | -71.9 | 0 | 0 | 0 | 0 | 114.4 | V1323 R1341 V1354 E1356 C1406 | V1323-C1346 WeakPolarHBondContact CB-O 3.41Å; R1341-C1346 WeakPolarHBondContact CD-SG 3.5Å; C1346-V1354 HydrophobicContact CB-CB 4.38Å; C1346-V1354 HydrophobicContact CB-CG1 4.04Å; C1346-V1354 HydrophobicContact CB-CG2 3.48Å; C1346-V1354 VanDerWaalsContact CB-CG2 3.48Å; C1346-E1356 HydrophobicContact CB-CG 4.45Å; C1346-E1356 PolarHBondContact N-OE1 3.01Å; C1346-C1406 VanDerWaalsContact CA-SG 3.51Å; C1346-C1406 HydrophobicContact CB-CB 3.72Å; C1346-C1406 WeakPolarHBondContact CB-SG 3.47Å; C1346-C1406 WeakPolarHBondContact SG-CA 3.28Å; C1346-C1406 WeakPolarHBondContact SG-CB 3.46Å; C1346-C1406 CovalentContact SG-SG 2.02Å; C1346-C1406 PolarHBondContact SG-SG 2.93Å | ||
| 1347 | Q | 87.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -88.4 | 111.9 | -179.1 | 178.8 | 64.3 | 64.4 | 0 | 0 | 111.8 | H1237 S1320 S1322 V1323 S1325 I1327 Y1408 | H1237-Q1347 HydrophobicContact CB-CB 4.36Å; H1237-Q1347 PolarHBondContact ND1-OE1 3.18Å; S1320-Q1347 VanDerWaalsContact OG-CD 3.29Å; S1320-Q1347 PolarHBondContact OG-NE2 2.77Å; S1320-Q1347 PolarHBondContact OG-OE1 3.14Å; S1322-Q1347 PolarHBondContact O-NE2 3.28Å; S1322-Q1347 PolarHBondContact O-OE1 3.14Å; V1323-Q1347 CarbonylContact O-C 3.54Å; V1323-Q1347 WeakPolarHBondContact O-CA 3.26Å; V1323-Q1347 PolarHBondContact O-NE2 3.15Å; S1325-Q1347 PolarHBondContact O-NE2 2.93Å; I1327-Q1347 HydrophobicContact CD1-CG 3.75Å; I1327-Q1347 HydrophobicContact CG1-CG 4.22Å; I1327-Q1347 HydrophobicContact CG2-CG 4.34Å; Q1347-Y1408 PolarHBondContact N-OH 3.09Å; Q1347-Y1408 WeakPolarHBondContact O-CE1 3.19Å; Q1347-Y1408 PolarHBondContact O-OH 2.67Å; Q1347-Y1408 VanDerWaalsContact O-OH 3.1Å | ||
| 1348 | Q | 82.3 | Confident | 80.9 | Confident | 56 Ų | 56 | 33.8 Ų | 33.8 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | trans | -57.6 | 140 | 175.8 | -171.1 | 59.7 | 24.6 | 0 | 0 | 112 | V1323 S1325 P1326 I1327 M1352 | V1323-Q1348 PolarHBondContact O-N 3.19Å; S1325-Q1348 VanDerWaalsContact O-O 3.12Å; P1326-Q1348 CarbonylContact C-O 3.58Å; P1326-Q1348 WeakPolarHBondContact CA-O 3.38Å; P1326-Q1348 HydrophobicContact CB-CG 4.27Å; P1326-Q1348 HydrophobicContact CG-CG 3.91Å; I1327-Q1348 PolarHBondContact N-O 2.87Å; Q1348-M1352 PolarHBondContact NE2-O 3.2Å | ||
| 1349 | I | 84.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -120.3 | 141.8 | 179.9 | -61.7 | -179.9 | 0 | 0 | 0 | 109 | I1327 F1330 F1337 L1339 G1351 M1352 Y1408 | I1327-I1349 HydrophobicContact CD1-CG1 4.28Å; I1327-I1349 HydrophobicContact CG1-CB 4.44Å; I1327-I1349 HydrophobicContact CG1-CG1 3.86Å; I1327-I1349 WeakPolarHBondContact O-CG2 3.22Å; F1330-I1349 HydrophobicContact CB-CD1 4.39Å; F1330-I1349 HydrophobicContact CB-CG2 4.17Å; F1330-I1349 HydrophobicContact CD2-CD1 3.54Å; F1330-I1349 HydrophobicContact CD2-CG1 4.19Å; F1330-I1349 HydrophobicContact CE2-CD1 4.08Å; F1330-I1349 HydrophobicContact CG-CD1 4.15Å; F1337-I1349 HydrophobicContact CE2-CD1 3.91Å; F1337-I1349 HydrophobicContact CZ-CD1 3.63Å; L1339-I1349 HydrophobicContact CD1-CD1 4.35Å; I1349-G1351 PolarHBondContact O-N 2.86Å; I1349-M1352 HydrophobicContact CB-CB 4.13Å; I1349-M1352 HydrophobicContact CG2-CB 4.16Å; I1349-M1352 HydrophobicContact CG2-CG 4Å; I1349-M1352 HydrophobicContact CG2-SD 3.84Å; I1349-M1352 PolarHBondContact O-N 3.02Å; I1349-Y1408 HydrophobicContact CB-CD1 4.28Å; I1349-Y1408 HydrophobicContact CD1-CD1 3.4Å; I1349-Y1408 HydrophobicContact CD1-CD2 4.07Å; I1349-Y1408 HydrophobicContact CD1-CE1 3.54Å; I1349-Y1408 HydrophobicContact CD1-CE2 4.18Å; I1349-Y1408 HydrophobicContact CD1-CG 3.69Å; I1349-Y1408 HydrophobicContact CG1-CD1 3.81Å; I1349-Y1408 HydrophobicContact CG1-CE1 3.72Å |
| 1350 | T | 74.6 | Confident | 79.2 | Confident | 62 Ų | 62 | 34.1 Ų | 34.1 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 131 | -178.9 | -52 | 0 | 0 | 0 | 0 | 111.3 | P1326 I1327 D1328 M1352 | P1326-T1350 WeakPolarHBondContact CB-OG1 3.45Å; I1327-T1350 PolarHBondContact O-N 3.43Å; I1327-T1350 PolarHBondContact O-OG1 2.94Å; D1328-T1350 WeakPolarHBondContact OD1-CB 3.46Å; D1328-T1350 WeakPolarHBondContact OD1-CG2 3.22Å; D1328-T1350 PolarHBondContact OD1-OG1 3.26Å; T1350-M1352 PolarHBondContact O-N 2.79Å |
| 1351 | G | 72.2 | Confident | 78.1 | Confident | 40 Ų | 40 | 34.4 Ų | 34.4 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 19 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1349 Q1410 A1411 | I1349-G1351 PolarHBondContact O-N 2.86Å; G1351-Q1410 CarbonylContact O-C 3.57Å; G1351-Q1410 WeakPolarHBondContact O-CA 3.26Å; G1351-A1411 WeakPolarHBondContact O-CB 3.33Å; G1351-A1411 PolarHBondContact O-N 3.15Å |
| 1352 | M | 77.8 | Confident | 76.8 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -137.3 | 153 | 178.1 | -56 | -168.5 | 83.2 | 0 | 0 | 113.3 | A1332 F1337 Q1348 I1349 T1350 E1409 | A1332-M1352 HydrophobicContact CB-CE 4.46Å; A1332-M1352 HydrophobicContact CB-CG 3.86Å; A1332-M1352 HydrophobicContact CB-SD 3.89Å; F1337-M1352 HydrophobicContact CD1-CE 4.23Å; F1337-M1352 HydrophobicContact CE1-CE 3.64Å; F1337-M1352 HydrophobicContact CE1-SD 3.7Å; F1337-M1352 HydrophobicContact CZ-CE 4.42Å; F1337-M1352 HydrophobicContact CZ-SD 4.05Å; Q1348-M1352 PolarHBondContact NE2-O 3.2Å; I1349-M1352 HydrophobicContact CB-CB 4.13Å; I1349-M1352 HydrophobicContact CG2-CB 4.16Å; I1349-M1352 HydrophobicContact CG2-CG 4Å; I1349-M1352 HydrophobicContact CG2-SD 3.84Å; I1349-M1352 PolarHBondContact O-N 3.02Å; T1350-M1352 PolarHBondContact O-N 2.79Å; M1352-E1409 CarbonylContact C-O 3.56Å; M1352-E1409 WeakPolarHBondContact CA-O 3.3Å; M1352-E1409 VanDerWaalsContact CB-O 3.27Å; M1352-E1409 WeakPolarHBondContact CB-O 3.34Å |
| 1353 | H | 78.8 | Confident | 76 | Confident | 34 Ų | 34 | 33.4 Ų | 33.4 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | trans | -71.6 | 168.1 | 166.7 | -156.8 | -169.7 | 0 | 0 | 0 | 110.9 | Q844 T1355 Y1408 E1409 | Q844-H1353 HydrophobicContact CB-CB 4.19Å; Q844-H1353 WeakPolarHBondContact CB-CD2 3.12Å; Q844-H1353 VanDerWaalsContact CB-CG 3.49Å; Q844-H1353 WeakPolarHBondContact CB-NE2 3.49Å; Q844-H1353 HydrophobicContact CG-CB 3.51Å; Q844-H1353 VanDerWaalsContact NE2-N 3.18Å; H1353-T1355 PolarHBondContact CE1-OG1 2.92Å; H1353-Y1408 WeakPolarHBondContact O-CA 3.28Å; H1353-Y1408 WeakPolarHBondContact O-CD1 3.23Å; H1353-E1409 HydrophobicContact CB-CG 3.54Å; H1353-E1409 IonicContact CE1-OE1 2.72Å; H1353-E1409 IonicContact CG-OE1 3.09Å; H1353-E1409 PolarHBondContact N-O 2.92Å; H1353-E1409 IonicContact ND1-OE1 2.74Å; H1353-E1409 PolarHBondContact ND1-OE1 2.85Å | ||
| 1354 | V | 82.5 | Confident | 74.9 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | trans | -136.2 | 138.5 | 149.6 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | C1346 C1406 Y1407 Y1408 | C1346-V1354 HydrophobicContact CB-CB 4.38Å; C1346-V1354 HydrophobicContact CB-CG1 4.04Å; C1346-V1354 HydrophobicContact CB-CG2 3.48Å; C1346-V1354 VanDerWaalsContact CB-CG2 3.48Å; V1354-C1406 HydrophobicContact CG2-CB 3.83Å; V1354-Y1407 CarbonylContact C-O 3.48Å; V1354-Y1407 WeakPolarHBondContact CA-O 3.37Å; V1354-Y1408 HydrophobicContact CB-CD1 3.79Å; V1354-Y1408 HydrophobicContact CB-CE1 3.53Å; V1354-Y1408 HydrophobicContact CG2-CD1 3.76Å; V1354-Y1408 HydrophobicContact CG2-CE1 3.26Å; V1354-Y1408 HydrophobicContact CG2-CE2 4.3Å; V1354-Y1408 HydrophobicContact CG2-CG 4.44Å | ||
| 1355 | T | 72.7 | Confident | 74 | Confident | 35 Ų | 35 | 29 Ų | 29 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.5 | 169.9 | -63.6 | 0 | 0 | 0 | 0 | 109.4 | H1353 Y1407 | H1353-T1355 PolarHBondContact CE1-OG1 2.92Å; T1355-Y1407 PolarHBondContact N-O 3.13Å; T1355-Y1407 PolarHBondContact O-N 3.29Å |
| 1356 | E | 76.4 | Confident | 72.5 | Confident | 81 Ų | 81 | 33.3 Ų | 33.3 | 38% | 0.379 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 135.9 | 177 | -49.5 | -152.4 | 135.3 | 0 | 0 | 111.4 | R1341 K1345 C1346 | R1341-E1356 VanDerWaalsContact CD-OE1 3.25Å; R1341-E1356 WeakPolarHBondContact CD-OE1 3.19Å; R1341-E1356 IonicContact CZ-OE1 3.7Å; R1341-E1356 IonicContact CZ-OE2 2.95Å; R1341-E1356 IonicContact NE-OE1 2.76Å; R1341-E1356 IonicContact NH1-OE1 3.36Å; R1341-E1356 PolarHBondContact NH1-OE1 2.97Å; R1341-E1356 VanDerWaalsContact NH1-OE1 3.12Å; R1341-E1356 IonicContact NH1-OE2 3.42Å; R1341-E1356 PolarHBondContact NH1-OE2 2.87Å; K1345-E1356 VanDerWaalsContact CA-OE1 3.24Å; K1345-E1356 WeakPolarHBondContact CA-OE1 3.29Å; C1346-E1356 HydrophobicContact CB-CG 4.45Å; C1346-E1356 PolarHBondContact N-OE1 3.01Å |
| 1357 | E | 77.2 | Confident | 70.3 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 167.4 | 175.5 | -68.2 | -177.1 | -166.2 | 0 | 0 | 110 | H1196 Y1338 L1405 | H1196-E1357 IonicContact CE1-OE1 2.72Å; H1196-E1357 IonicContact CG-OE1 3.84Å; H1196-E1357 PolarHBondContact N-OE1 3.02Å; H1196-E1357 VanDerWaalsContact N-OE1 3.15Å; H1196-E1357 PolarHBondContact N-OE2 3.46Å; H1196-E1357 IonicContact ND1-OE1 3.68Å; H1196-E1357 PolarHBondContact ND1-OE1 2.89Å; Y1338-E1357 PolarHBondContact OH-OE1 2.81Å; Y1338-E1357 PolarHBondContact OH-OE2 3.43Å; E1357-L1405 HydrophobicContact CB-CB 4.2Å; E1357-L1405 PolarHBondContact N-O 2.85Å; E1357-L1405 WeakPolarHBondContact O-CA 3.18Å; E1357-L1405 WeakPolarHBondContact O-CB 2.98Å; E1357-L1405 PolarHBondContact O-N 2.83Å |
| 1358 | Y | 75.6 | Confident | 68.3 | Low | 51 Ų | 51 | 38.4 Ų | 38.4 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 152.4 | 168.7 | 66.9 | -93.8 | 0 | 0 | 0 | 114.7 | S1192 Q1193 H1396 E1402 I1403 | S1192-Y1358 WeakPolarHBondContact OG-CD1 3.35Å; S1192-Y1358 VanDerWaalsContact OG-CD2 3.3Å; S1192-Y1358 WeakPolarHBondContact OG-CD2 3.39Å; S1192-Y1358 WeakPolarHBondContact OG-CE1 3.21Å; S1192-Y1358 VanDerWaalsContact OG-CE2 3.23Å; S1192-Y1358 WeakPolarHBondContact OG-CE2 2.91Å; S1192-Y1358 VanDerWaalsContact OG-CG 3.23Å; S1192-Y1358 PolarHBondContact OG-O 2.79Å; Q1193-Y1358 VanDerWaalsContact OE1-CD1 3.29Å; Y1358-H1396 AromaticContact CE2-NE2 3.63Å; Y1358-H1396 AromaticContact CZ-NE2 3.39Å; Y1358-H1396 PolarHBondContact OH-NE2 2.96Å; Y1358-E1402 HydrophobicContact CD2-CB 4.2Å; Y1358-E1402 HydrophobicContact CD2-CG 3.85Å; Y1358-E1402 HydrophobicContact CE2-CG 3.9Å; Y1358-E1402 WeakPolarHBondContact CE2-OE1 3.38Å; Y1358-I1403 WeakPolarHBondContact CA-O 3.05Å |
| 1359 | I | 76.3 | Confident | 66.4 | Low | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.3 | 170.3 | -73 | 170.9 | 0 | 0 | 0 | 107.9 | F1189 Y1191 L1197 L1210 V1361 I1403 L1405 | F1189-I1359 HydrophobicContact CD1-CG2 4.31Å; F1189-I1359 HydrophobicContact CE1-CG2 3.35Å; F1189-I1359 HydrophobicContact CE2-CG2 4.44Å; F1189-I1359 HydrophobicContact CZ-CG2 3.44Å; F1189-I1359 VanDerWaalsContact CZ-CG2 3.44Å; Y1191-I1359 HydrophobicContact CD1-CG1 4.14Å; Y1191-I1359 HydrophobicContact CE1-CD1 4.48Å; Y1191-I1359 HydrophobicContact CE1-CG1 3.94Å; L1197-I1359 HydrophobicContact CD1-CD1 3.95Å; L1197-I1359 HydrophobicContact CD1-CG1 3.94Å; L1210-I1359 HydrophobicContact CD1-CD1 4.29Å; I1359-V1361 HydrophobicContact CG2-CG2 4Å; I1359-I1403 HydrophobicContact CB-CB 4.23Å; I1359-I1403 PolarHBondContact N-O 2.98Å; I1359-I1403 PolarHBondContact O-N 3.06Å; I1359-L1405 HydrophobicContact CD1-CD1 3.85Å; I1359-L1405 HydrophobicContact CG1-CD1 3.89Å |
| 1360 | C | 68.6 | Low | 64.4 | Low | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.4 | 170.3 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | F1189 H1190 C1399 | F1189-C1360 WeakPolarHBondContact CA-O 3.46Å; H1190-C1360 HydrophobicContact CB-CB 4.01Å; H1190-C1360 PolarHBondContact N-O 2.62Å; H1190-C1360 WeakPolarHBondContact O-CA 3.25Å; H1190-C1360 WeakPolarHBondContact O-CB 3.47Å; H1190-C1360 PolarHBondContact O-N 3.14Å; H1190-C1360 VanDerWaalsContact O-O 3.1Å; C1360-C1399 WeakPolarHBondContact CA-SG 3.34Å; C1360-C1399 HydrophobicContact CB-CB 4.22Å; C1360-C1399 WeakPolarHBondContact CB-SG 3.35Å; C1360-C1399 WeakPolarHBondContact SG-CB 3.26Å; C1360-C1399 CovalentContact SG-SG 2.03Å; C1360-C1399 PolarHBondContact SG-SG 3.49Å |
| 1361 | V | 70.7 | Confident | 62.8 | Low | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 99.2 | 169.5 | -163.9 | 0 | 0 | 0 | 0 | 108.6 | F1189 I1258 I1359 V1401 I1403 | F1189-V1361 HydrophobicContact CD2-CB 4.5Å; F1189-V1361 HydrophobicContact CD2-CG1 4.03Å; F1189-V1361 HydrophobicContact CD2-CG2 4.2Å; F1189-V1361 HydrophobicContact CE2-CB 4.47Å; F1189-V1361 HydrophobicContact CE2-CG1 4.15Å; F1189-V1361 HydrophobicContact CE2-CG2 3.73Å; F1189-V1361 HydrophobicContact CZ-CG2 4.1Å; I1258-V1361 HydrophobicContact CD1-CB 3.81Å; I1258-V1361 HydrophobicContact CD1-CG1 3.86Å; I1258-V1361 HydrophobicContact CD1-CG2 3.99Å; I1258-V1361 HydrophobicContact CG2-CG1 3.92Å; I1359-V1361 HydrophobicContact CG2-CG2 4Å; V1361-V1401 PolarHBondContact N-O 2.78Å; V1361-V1401 PolarHBondContact O-N 3.47Å; V1361-V1401 VanDerWaalsContact O-N 3.09Å; V1361-I1403 HydrophobicContact CG2-CD1 3.77Å; V1361-I1403 HydrophobicContact CG2-CG1 4.33Å |
| 1362 | D | 61.4 | Low | 61.3 | Low | 16 Ų | 16 | 48.6 Ų | 48.6 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | trans | -74.8 | 130.5 | 165.9 | 177.4 | 54.5 | 0 | 0 | 0 | 109.2 | G1188 N1365 | G1188-D1362 WeakPolarHBondContact CA-OD2 3.22Å; G1188-D1362 PolarHBondContact N-OD2 2.99Å; D1362-N1365 PolarHBondContact OD1-ND2 3.17Å; D1362-N1365 PolarHBondContact OD2-ND2 2.83Å | ||
| 1363 | A | 63.5 | Low | 59.7 | Low | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | trans | -100.3 | -176.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109 | I1258 N1365 P1382 D1400 | I1258-A1363 HydrophobicContact CG2-CB 4.07Å; A1363-N1365 PolarHBondContact O-N 2.86Å; A1363-P1382 HydrophobicContact CB-CB 3.68Å; A1363-D1400 WeakPolarHBondContact CA-OD2 3.41Å; A1363-D1400 HydrophobicContact CB-CB 3.9Å; A1363-D1400 WeakPolarHBondContact CB-OD2 3.34Å; A1363-D1400 PolarHBondContact N-OD2 3.25Å; A1363-D1400 VanDerWaalsContact N-OD2 3.09Å | ||
| 1364 | P | 57 | Low | 58.1 | Low | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | trans | -75.7 | 101.4 | -171.1 | -14 | 30.6 | 0 | 0 | 0 | 110.4 | L1259 G1261 R1366 W1371 | L1259-P1364 HydrophobicContact CB-CG 4.1Å; L1259-P1364 WeakPolarHBondContact O-CD 3.4Å; G1261-P1364 WeakPolarHBondContact O-CB 3.2Å; G1261-P1364 WeakPolarHBondContact O-CG 3.45Å; P1364-R1366 PolarHBondContact O-N 3.4Å; P1364-W1371 HydrophobicContact CB-CE3 4.19Å; P1364-W1371 HydrophobicContact CB-CH2 4.49Å; P1364-W1371 HydrophobicContact CB-CZ3 3.65Å; P1364-W1371 HydrophobicContact CG-CZ3 4.02Å | ||
| 1365 | N | 51.9 | Low | 56.1 | Low | 70 Ų | 70 | 50.8 Ų | 50.8 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | trans | -46.8 | 129.3 | -179.7 | -92.7 | -93.4 | 0 | 0 | 0 | 112.3 | D1362 A1363 G1367 D1368 | D1362-N1365 PolarHBondContact OD1-ND2 3.17Å; D1362-N1365 PolarHBondContact OD2-ND2 2.83Å; A1363-N1365 PolarHBondContact O-N 2.86Å; N1365-G1367 PolarHBondContact O-N 2.03Å; N1365-D1368 PolarHBondContact O-N 3.13Å | ||
| 1366 | R | 45.1 | Very low | 54.7 | Low | 183 Ų | 183 | 52.9 Ų | 52.9 | 69% | 0.691 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -1 | -171 | -79.2 | -177.5 | 172.8 | 174.3 | 0.1 | 116.4 | P1364 | P1364-R1366 PolarHBondContact O-N 3.4Š|
| 1367 | G | 40.8 | Very low | 53.1 | Low | 70 Ų | 70 | 52.8 Ų | 52.8 | 72% | 0.722 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -13.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | N1365 P1369 | N1365-G1367 PolarHBondContact O-N 2.03Å; G1367-P1369 WeakPolarHBondContact O-CD 3.34Å |
| 1368 | D | 45.2 | Very low | 51.3 | Low | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -73.8 | 120.8 | 178.4 | -155.1 | -59.3 | 0 | 0 | 0 | 109.7 | R1186 N1365 N1370 W1371 | R1186-D1368 IonicContact CZ-OD2 2.78Å; R1186-D1368 IonicContact NH2-OD2 2.89Å; R1186-D1368 PolarHBondContact NH2-OD2 3.17Å; N1365-D1368 PolarHBondContact O-N 3.13Å; D1368-N1370 PolarHBondContact O-N 3.13Å; D1368-W1371 VanDerWaalsContact O-CB 3.32Å; D1368-W1371 WeakPolarHBondContact O-CB 3.46Å; D1368-W1371 PolarHBondContact O-N 3.27Å |
| 1369 | P | 41.5 | Very low | 49.7 | Very low | 67 Ų | 67 | 61.7 Ų | 61.7 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -62.4 | -14.6 | -165.9 | 21.6 | -34.4 | 0 | 0 | 0 | 115.3 | G1367 W1371 W1372 | G1367-P1369 WeakPolarHBondContact O-CD 3.34Å; P1369-W1371 PolarHBondContact O-N 2.99Å; P1369-W1372 HydrophobicContact CB-CH2 3.55Å; P1369-W1372 HydrophobicContact CB-CZ2 3.47Å; P1369-W1372 VanDerWaalsContact CB-CZ2 3.47Å; P1369-W1372 HydrophobicContact CB-CZ3 4.25Å; P1369-W1372 VanDerWaalsContact O-CE2 3.32Å; P1369-W1372 VanDerWaalsContact O-CE3 3.3Å |
| 1370 | N | 42.6 | Very low | 48.1 | Very low | 50 Ų | 50 | 67.1 Ų | 67.1 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -68.1 | -17.1 | 172.4 | -78.4 | 35.9 | 0 | 0 | 0 | 113.3 | S1305 D1368 W1372 S1373 | S1305-N1370 PolarHBondContact OG-ND2 3.47Å; S1305-N1370 VanDerWaalsContact OG-ND2 3.12Å; D1368-N1370 PolarHBondContact O-N 3.13Å; N1370-W1372 PolarHBondContact O-N 2.81Å; N1370-W1372 VanDerWaalsContact O-N 3.14Å; N1370-S1373 PolarHBondContact O-N 2.78Å; N1370-S1373 VanDerWaalsContact O-N 3.17Å; N1370-S1373 PolarHBondContact O-OG 3.47Å |
| 1371 | W | 41.5 | Very low | 47.4 | Very low | 60 Ų | 60 | 69.3 Ų | 69.3 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -58.4 | -27.7 | -176.1 | -171.1 | -101.3 | 0 | 0 | 0 | 113.8 | L1259 I1307 P1364 D1368 P1369 S1373 I1374 | L1259-W1371 HydrophobicContact CD1-CH2 3.85Å; I1307-W1371 HydrophobicContact CD1-CE3 4.33Å; I1307-W1371 HydrophobicContact CD1-CZ3 4.13Å; P1364-W1371 HydrophobicContact CB-CE3 4.19Å; P1364-W1371 HydrophobicContact CB-CH2 4.49Å; P1364-W1371 HydrophobicContact CB-CZ3 3.65Å; P1364-W1371 HydrophobicContact CG-CZ3 4.02Å; D1368-W1371 VanDerWaalsContact O-CB 3.32Å; D1368-W1371 WeakPolarHBondContact O-CB 3.46Å; D1368-W1371 PolarHBondContact O-N 3.27Å; P1369-W1371 PolarHBondContact O-N 2.99Å; W1371-S1373 PolarHBondContact O-N 2.86Å; W1371-I1374 HydrophobicContact CD2-CD1 3.53Å; W1371-I1374 HydrophobicContact CE3-CD1 3.3Å; W1371-I1374 HydrophobicContact CG-CD1 4.26Å; W1371-I1374 HydrophobicContact CH2-CD1 3.75Å; W1371-I1374 HydrophobicContact CZ2-CD1 3.97Å; W1371-I1374 HydrophobicContact CZ3-CD1 3.39Å; W1371-I1374 WeakPolarHBondContact O-CG1 3.45Å; W1371-I1374 PolarHBondContact O-N 2.75Å |
| 1372 | W | 41.2 | Very low | 47.1 | Very low | 198 Ų | 198 | 69.7 Ų | 69.7 | 75% | 0.75 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -67.6 | -15 | -178.7 | -32.8 | -38.9 | 0 | 0 | 0 | 113.8 | P1369 N1370 | P1369-W1372 HydrophobicContact CB-CH2 3.55Å; P1369-W1372 HydrophobicContact CB-CZ2 3.47Å; P1369-W1372 VanDerWaalsContact CB-CZ2 3.47Å; P1369-W1372 HydrophobicContact CB-CZ3 4.25Å; P1369-W1372 VanDerWaalsContact O-CE2 3.32Å; P1369-W1372 VanDerWaalsContact O-CE3 3.3Å; N1370-W1372 PolarHBondContact O-N 2.81Å; N1370-W1372 VanDerWaalsContact O-N 3.14Å |
| 1373 | S | 43.7 | Very low | 47.5 | Very low | 15 Ų | 15 | 71.4 Ų | 71.4 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -86.8 | -4.2 | 179.7 | 68.2 | 0 | 0 | 0 | 0 | 114.5 | M1300 K1301 E1302 N1370 W1371 | M1300-S1373 WeakPolarHBondContact CE-OG 3.28Å; K1301-S1373 PolarHBondContact N-O 3.1Å; K1301-S1373 VanDerWaalsContact N-O 3.11Å; E1302-S1373 WeakPolarHBondContact OE2-CB 3.42Å; N1370-S1373 PolarHBondContact O-N 2.78Å; N1370-S1373 VanDerWaalsContact O-N 3.17Å; N1370-S1373 PolarHBondContact O-OG 3.47Å; W1371-S1373 PolarHBondContact O-N 2.86Å |
| 1374 | I | 45.4 | Very low | 48.1 | Very low | 46 Ų | 46 | 74.5 Ų | 74.5 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 133.2 | 169.8 | -56.5 | 173.8 | 0 | 0 | 0 | 108.5 | M1300 I1307 W1371 Q1376 | M1300-I1374 HydrophobicContact CE-CD1 4.42Å; M1300-I1374 HydrophobicContact CE-CG1 3.52Å; M1300-I1374 HydrophobicContact CG-CG1 4.33Å; I1307-I1374 HydrophobicContact CD1-CD1 3.89Å; I1307-I1374 HydrophobicContact CD1-CG1 4.45Å; W1371-I1374 HydrophobicContact CD2-CD1 3.53Å; W1371-I1374 HydrophobicContact CE3-CD1 3.3Å; W1371-I1374 HydrophobicContact CG-CD1 4.26Å; W1371-I1374 HydrophobicContact CH2-CD1 3.75Å; W1371-I1374 HydrophobicContact CZ2-CD1 3.97Å; W1371-I1374 HydrophobicContact CZ3-CD1 3.39Å; W1371-I1374 WeakPolarHBondContact O-CG1 3.45Å; W1371-I1374 PolarHBondContact O-N 2.75Å; I1374-Q1376 PolarHBondContact O-N 3.14Å |
| 1375 | D | 39.8 | Very low | 49.1 | Very low | 52 Ų | 52 | 77 Ų | 77 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | trans | -67 | 137.7 | -171.3 | -155.4 | -3.9 | 0 | 0 | 0 | 113 | K1301 N1377 | K1301-D1375 HydrophobicContact CD-CB 4.22Å; K1301-D1375 VanDerWaalsContact CE-CG 3.42Å; K1301-D1375 WeakPolarHBondContact CE-OD1 3.36Å; K1301-D1375 WeakPolarHBondContact CE-OD2 3.44Å; K1301-D1375 HydrophobicContact CG-CB 4.31Å; K1301-D1375 IonicContact NZ-OD1 2.96Å; K1301-D1375 PolarHBondContact NZ-OD1 3.12Å; K1301-D1375 IonicContact NZ-OD2 2.71Å; K1301-D1375 PolarHBondContact NZ-OD2 3.39Å; D1375-N1377 VanDerWaalsContact C-N 3.26Å; D1375-N1377 PolarHBondContact O-N 3.47Å | ||
| 1376 | Q | 44 | Very low | 50.2 | Low | 78 Ų | 78 | 80 Ų | 80 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8.9 | -164.5 | -70.2 | -169.1 | -8 | 0 | 0 | 113.8 | R560 I1374 H1378 | R560-Q1376 HydrophobicContact CG-CB 3.99Å; R560-Q1376 PolarHBondContact NE-O 3.03Å; R560-Q1376 PolarHBondContact NH2-O 3.4Å; I1374-Q1376 PolarHBondContact O-N 3.14Å; Q1376-H1378 VanDerWaalsContact C-N 3.29Å; Q1376-H1378 PolarHBondContact O-N 2.81Å |
| 1377 | N | 41.7 | Very low | 51.9 | Low | 79 Ų | 79 | 74.1 Ų | 74.1 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.8 | -176 | -73 | 9.2 | 0 | 0 | 0 | 114.8 | Q557 D1375 | Q557-N1377 PolarHBondContact NE2-O 3.5Å; Q557-N1377 VanDerWaalsContact NE2-O 3.13Å; Q557-N1377 PolarHBondContact OE1-ND2 3.37Å; D1375-N1377 VanDerWaalsContact C-N 3.26Å; D1375-N1377 PolarHBondContact O-N 3.47Å |
| 1378 | H | 40.8 | Very low | 53.5 | Low | 111 Ų | 111 | 74.2 Ų | 74.2 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | trans | -117.5 | 123.8 | 170.5 | -75.8 | 8.8 | 0 | 0 | 0 | 111.4 | R560 Q1376 W1380 | R560-H1378 PolarHBondContact NH2-O 2.84Å; Q1376-H1378 VanDerWaalsContact C-N 3.29Å; Q1376-H1378 PolarHBondContact O-N 2.81Å; H1378-W1380 HydrophobicContact CB-CD2 4.09Å; H1378-W1380 HydrophobicContact CB-CG 4.25Å; H1378-W1380 AromaticContact CD2-CE2 3.8Å; H1378-W1380 AromaticContact CD2-CH2 3.68Å; H1378-W1380 AromaticContact CD2-CZ2 3.51Å; H1378-W1380 PolarHBondContact O-N 2.92Å; H1378-W1380 VanDerWaalsContact O-N 3.12Å | ||
| 1379 | T | 40.6 | Very low | 55.3 | Low | 132 Ų | 132 | 73.2 Ų | 73.2 | 81% | 0.81 | 38% | 0.378 | S | S | * | . | trans | -87.8 | 45.5 | -173.8 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1380 | W | 43.2 | Very low | 57.3 | Low | 120 Ų | 120 | 70.2 Ų | 70.2 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | trans | -86.6 | 123.4 | -168.7 | -68.7 | -8.8 | 0 | 0 | 0 | 112.7 | R1309 H1378 | R1309-W1380 VanDerWaalsContact NH1-CE3 3.31Å; R1309-W1380 VanDerWaalsContact NH1-CZ3 3.29Å; R1309-W1380 VanDerWaalsContact NH2-CE3 3.34Å; H1378-W1380 HydrophobicContact CB-CD2 4.09Å; H1378-W1380 HydrophobicContact CB-CG 4.25Å; H1378-W1380 AromaticContact CD2-CE2 3.8Å; H1378-W1380 AromaticContact CD2-CH2 3.68Å; H1378-W1380 AromaticContact CD2-CZ2 3.51Å; H1378-W1380 PolarHBondContact O-N 2.92Å; H1378-W1380 VanDerWaalsContact O-N 3.12Å | ||
| 1381 | S | 54.6 | Low | 59 | Low | 50 Ų | 50 | 69.1 Ų | 69.1 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | trans | -55.4 | 152.8 | 153.9 | 168.7 | 0 | 0 | 0 | 0 | 110.1 | Y1383 | S1381-Y1383 WeakPolarHBondContact CB-O 3.39Å; S1381-Y1383 PolarHBondContact O-N 2.95Å; S1381-Y1383 VanDerWaalsContact O-N 3.12Å; S1381-Y1383 PolarHBondContact OG-O 3.35Å | ||
| 1382 | P | 63.9 | Low | 60.3 | Low | 15 Ų | 15 | 70.6 Ų | 70.6 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -48.1 | -36.2 | 174.2 | 14.8 | -29.7 | 0 | 0 | 0 | 113.2 | L1259 A1363 D1400 | L1259-P1382 WeakPolarHBondContact CG-O 3.19Å; L1259-P1382 PolarHBondContact N-O 3.29Å; A1363-P1382 HydrophobicContact CB-CB 3.68Å; P1382-D1400 WeakPolarHBondContact CG-OD1 3.05Å |
| 1383 | Y | 70.2 | Confident | 61.4 | Low | 51 Ų | 51 | 65 Ų | 65 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 163.8 | 172.2 | 58.3 | -91.3 | 0 | 0 | 0 | 112.3 | S1257 S1381 V1393 D1400 V1401 | S1257-Y1383 CarbonylContact O-C 3.54Å; S1257-Y1383 WeakPolarHBondContact O-CA 3.21Å; S1257-Y1383 WeakPolarHBondContact O-CB 3.38Å; S1381-Y1383 WeakPolarHBondContact CB-O 3.39Å; S1381-Y1383 PolarHBondContact O-N 2.95Å; S1381-Y1383 VanDerWaalsContact O-N 3.12Å; S1381-Y1383 PolarHBondContact OG-O 3.35Å; Y1383-V1393 HydrophobicContact CE2-CG2 4.08Å; Y1383-V1393 WeakPolarHBondContact OH-CG1 3.45Å; Y1383-V1393 WeakPolarHBondContact OH-CG2 3Å; Y1383-D1400 HydrophobicContact CD1-CB 4.05Å; Y1383-D1400 HydrophobicContact CE1-CB 4.25Å; Y1383-D1400 WeakPolarHBondContact CE1-O 3.47Å; Y1383-V1401 VanDerWaalsContact CB-CG2 3.46Å; Y1383-V1401 HydrophobicContact CD1-CG2 3.45Å; Y1383-V1401 VanDerWaalsContact CD1-CG2 3.45Å; Y1383-V1401 HydrophobicContact CD2-CG2 4.11Å; Y1383-V1401 HydrophobicContact CE1-CG2 4.21Å; Y1383-V1401 HydrophobicContact CG-CG2 3.39Å |
| 1384 | N | 76.2 | Confident | 62.1 | Low | 66 Ų | 66 | 65.1 Ų | 65.1 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 139 | 173.6 | -171.9 | 21.6 | 0 | 0 | 0 | 110.1 | S1257 | S1257-N1384 PolarHBondContact N-O 2.94Å; S1257-N1384 PolarHBondContact O-N 2.85Å |
| 1385 | V | 77 | Confident | 62.4 | Low | 61 Ų | 61 | 72.7 Ų | 72.7 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138 | -177 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | L1255 L1256 T1389 A1391 | L1255-V1385 CarbonylContact O-C 3.07Å; L1255-V1385 WeakPolarHBondContact O-CA 3.44Å; L1256-V1385 HydrophobicContact CD1-CG2 3.84Å; V1385-T1389 HydrophobicContact CG1-CG2 4.07Å; V1385-T1389 VanDerWaalsContact CG1-OG1 3.28Å; V1385-T1389 WeakPolarHBondContact CG1-OG1 3.45Å; V1385-A1391 HydrophobicContact CG2-CB 4.37Å |
| 1386 | K | 74.7 | Confident | 62.9 | Low | 132 Ų | 132 | 73.4 Ų | 73.4 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.3 | 169.9 | -63.2 | -176.5 | 179.8 | -178.7 | 0 | 110 | G1254 L1255 | G1254-K1386 CarbonylContact C-O 3.56Å; G1254-K1386 WeakPolarHBondContact CA-O 3.1Å; L1255-K1386 HydrophobicContact CB-CB 4.41Å; L1255-K1386 PolarHBondContact N-O 3.39Å; L1255-K1386 PolarHBondContact O-N 3.12Å |
| 1387 | G | 80.7 | Confident | 63.3 | Low | 60 Ų | 60 | 77 Ų | 77 | 62% | 0.619 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 66.7 | -167.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1388 | L | 75.2 | Confident | 63.8 | Low | 73 Ų | 73 | 81 Ų | 81 | 38% | 0.382 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -75.1 | 131.3 | 169.5 | -77.9 | 128.4 | 0 | 0 | 0 | 109 | S1252 G1254 C1316 T1318 V1342 | S1252-L1388 WeakPolarHBondContact OG-CD1 3.48Å; G1254-L1388 WeakPolarHBondContact CA-O 3.24Å; C1316-L1388 HydrophobicContact CB-CB 3.71Å; C1316-L1388 PolarHBondContact SG-O 2.72Å; T1318-L1388 HydrophobicContact CG2-CD2 4.17Å; V1342-L1388 HydrophobicContact CG1-CD2 3.88Å |
| 1389 | T | 83.1 | Confident | 64.6 | Low | 22 Ų | 22 | 76.3 Ų | 76.3 | 14% | 0.135 | 39% | 0.394 | C | S | . | . | trans | -145 | 157.2 | 173.9 | 64.7 | 0 | 0 | 0 | 0 | 109.1 | L1256 F1314 V1385 A1391 | L1256-T1389 HydrophobicContact CB-CG2 4.48Å; F1314-T1389 HydrophobicContact CD2-CG2 4.08Å; V1385-T1389 HydrophobicContact CG1-CG2 4.07Å; V1385-T1389 VanDerWaalsContact CG1-OG1 3.28Å; V1385-T1389 WeakPolarHBondContact CG1-OG1 3.45Å; T1389-A1391 PolarHBondContact O-N 3.05Å; T1389-A1391 VanDerWaalsContact O-N 3.1Å | ||
| 1390 | P | 83.6 | Confident | 65.8 | Low | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -78.1 | 17.4 | 175.7 | 35.9 | -39.6 | 0 | 0 | 0 | 113.4 | F1314 Y1340 R1341 I1403 N1404 | F1314-P1390 HydrophobicContact CD1-CG 3.98Å; F1314-P1390 HydrophobicContact CD2-CG 4.42Å; F1314-P1390 HydrophobicContact CE1-CG 3.58Å; F1314-P1390 HydrophobicContact CE2-CG 4.04Å; F1314-P1390 HydrophobicContact CG-CG 4.39Å; F1314-P1390 HydrophobicContact CZ-CG 3.6Å; Y1340-P1390 HydrophobicContact CD1-CB 4.2Å; Y1340-P1390 HydrophobicContact CD1-CG 3.74Å; Y1340-P1390 HydrophobicContact CG-CB 4.44Å; Y1340-P1390 HydrophobicContact CG-CG 4.04Å; R1341-P1390 VanDerWaalsContact O-CA 3.28Å; R1341-P1390 WeakPolarHBondContact O-CA 3.25Å; R1341-P1390 WeakPolarHBondContact O-CB 3.24Å; P1390-I1403 HydrophobicContact CG-CG2 4.02Å; P1390-N1404 WeakPolarHBondContact O-CB 3.06Å; P1390-N1404 PolarHBondContact O-N 2.93Å; P1390-N1404 PolarHBondContact O-ND2 2.67Å |
| 1391 | A | 77.9 | Confident | 67.3 | Low | 26 Ų | 26 | 66.2 Ų | 66.2 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1256 V1385 T1389 V1401 E1402 | L1256-A1391 HydrophobicContact CD1-CB 3.89Å; L1256-A1391 HydrophobicContact CD2-CB 3.98Å; L1256-A1391 HydrophobicContact CG-CB 4.46Å; V1385-A1391 HydrophobicContact CG2-CB 4.37Å; T1389-A1391 PolarHBondContact O-N 3.05Å; T1389-A1391 VanDerWaalsContact O-N 3.1Å; A1391-V1401 HydrophobicContact CB-CG1 4.05Å; A1391-E1402 CarbonylContact C-O 3.47Å; A1391-E1402 VanDerWaalsContact CA-O 3.3Å; A1391-E1402 WeakPolarHBondContact CA-O 3.21Å |
| 1392 | R | 69.3 | Low | 68.4 | Low | 91 Ų | 91 | 64.7 Ų | 64.7 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150.1 | 170.3 | -161.6 | 177.3 | -176.4 | 124.2 | -4 | 109.8 | D1344 Y1395 E1402 | D1344-R1392 IonicContact OD1-CZ 2.69Å; D1344-R1392 IonicContact OD1-NH1 3.74Å; D1344-R1392 PolarHBondContact OD1-NH1 2.71Å; D1344-R1392 IonicContact OD1-NH2 3.19Å; R1392-Y1395 PolarHBondContact NH2-OH 3.45Å; R1392-E1402 PolarHBondContact N-O 2.83Å; R1392-E1402 PolarHBondContact O-N 2.92Å |
| 1393 | V | 63.7 | Low | 69.5 | Low | 81 Ų | 81 | 64 Ų | 64 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | trans | -80.7 | 121.6 | 166.4 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | Y1383 | Y1383-V1393 HydrophobicContact CE2-CG2 4.08Å; Y1383-V1393 WeakPolarHBondContact OH-CG1 3.45Å; Y1383-V1393 WeakPolarHBondContact OH-CG2 3Å | ||
| 1394 | P | 59.2 | Low | 70.2 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | trans | -64.9 | 160.8 | -179.7 | 23.1 | -31.7 | 0 | 0 | 0 | 112.8 | C1399 E1402 | P1394-C1399 HydrophobicContact CB-CB 4.36Å; P1394-C1399 HydrophobicContact CG-CB 3.88Å; P1394-C1399 WeakPolarHBondContact CG-O 3.16Å; P1394-E1402 HydrophobicContact CB-CG 3.89Å; P1394-E1402 HydrophobicContact CG-CG 4.35Å | ||
| 1395 | Y | 50.2 | Low | 70.7 | Confident | 205 Ų | 205 | 59.1 Ų | 59.1 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -96.3 | 14.7 | 169 | -62.3 | -81.3 | 0 | 0 | 0 | 112.9 | R1392 | R1392-Y1395 PolarHBondContact NH2-OH 3.45Š|
| 1396 | H | 51.6 | Low | 71.2 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -131.4 | 147.3 | -177.8 | 56.2 | 54.4 | 0 | 0 | 0 | 113 | Y1358 F1398 C1399 E1402 | Y1358-H1396 AromaticContact CE2-NE2 3.63Å; Y1358-H1396 AromaticContact CZ-NE2 3.39Å; Y1358-H1396 PolarHBondContact OH-NE2 2.96Å; H1396-F1398 PolarHBondContact O-N 3.37Å; H1396-F1398 VanDerWaalsContact O-N 3.16Å; H1396-C1399 WeakPolarHBondContact CE1-CB 3.33Å; H1396-C1399 PolarHBondContact CE1-SG 3.16Å; H1396-E1402 IonicContact CD2-OE1 3.82Å; H1396-E1402 IonicContact CE1-OE1 3.51Å; H1396-E1402 PolarHBondContact CE1-OE1 3.26Å; H1396-E1402 VanDerWaalsContact NE2-CD 3.26Å; H1396-E1402 IonicContact NE2-OE1 2.74Å; H1396-E1402 PolarHBondContact NE2-OE1 3.3Å |
| 1397 | D | 51.1 | Low | 71.7 | Confident | 152 Ų | 152 | 50.2 Ų | 50.2 | 81% | 0.813 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -0.7 | -168.1 | -51.1 | -50.1 | 0 | 0 | 0 | 114.9 | ||
| 1398 | F | 53.1 | Low | 72 | Confident | 165 Ų | 165 | 47.3 Ų | 47.3 | 72% | 0.724 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 13 | -172.8 | -54.2 | -65.1 | 0 | 0 | 0 | 113.4 | H1396 | H1396-F1398 PolarHBondContact O-N 3.37Å; H1396-F1398 VanDerWaalsContact O-N 3.16Å |
| 1399 | C | 58.5 | Low | 72.2 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.081 | 23% | 0.226 | C | C | . | . | trans | -156.7 | 139.9 | -174.2 | -160.3 | 0 | 0 | 0 | 0 | 111.5 | C1360 P1394 H1396 V1401 | C1360-C1399 WeakPolarHBondContact CA-SG 3.34Å; C1360-C1399 HydrophobicContact CB-CB 4.22Å; C1360-C1399 WeakPolarHBondContact CB-SG 3.35Å; C1360-C1399 WeakPolarHBondContact SG-CB 3.26Å; C1360-C1399 CovalentContact SG-SG 2.03Å; C1360-C1399 PolarHBondContact SG-SG 3.49Å; P1394-C1399 HydrophobicContact CB-CB 4.36Å; P1394-C1399 HydrophobicContact CG-CB 3.88Å; P1394-C1399 WeakPolarHBondContact CG-O 3.16Å; H1396-C1399 WeakPolarHBondContact CE1-CB 3.33Å; H1396-C1399 PolarHBondContact CE1-SG 3.16Å; C1399-V1401 PolarHBondContact SG-O 3.32Å; C1399-V1401 VanDerWaalsContact SG-O 3.35Å | ||
| 1400 | D | 65.8 | Low | 71.6 | Confident | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -91 | -37.4 | 172.5 | -95.3 | -60.7 | 0 | 0 | 0 | 112 | A1363 P1382 Y1383 | A1363-D1400 WeakPolarHBondContact CA-OD2 3.41Å; A1363-D1400 HydrophobicContact CB-CB 3.9Å; A1363-D1400 WeakPolarHBondContact CB-OD2 3.34Å; A1363-D1400 PolarHBondContact N-OD2 3.25Å; A1363-D1400 VanDerWaalsContact N-OD2 3.09Å; P1382-D1400 WeakPolarHBondContact CG-OD1 3.05Å; Y1383-D1400 HydrophobicContact CD1-CB 4.05Å; Y1383-D1400 HydrophobicContact CE1-CB 4.25Å; Y1383-D1400 WeakPolarHBondContact CE1-O 3.47Å |
| 1401 | V | 73.6 | Confident | 70.4 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 127.5 | -176.3 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | L1256 I1258 V1361 Y1383 A1391 C1399 I1403 | L1256-V1401 HydrophobicContact CD1-CG1 4.08Å; L1256-V1401 HydrophobicContact CD2-CG1 4.25Å; I1258-V1401 HydrophobicContact CD1-CB 4.15Å; I1258-V1401 HydrophobicContact CD1-CG1 4.23Å; I1258-V1401 HydrophobicContact CD1-CG2 4.13Å; I1258-V1401 HydrophobicContact CG1-CG2 4.42Å; V1361-V1401 PolarHBondContact N-O 2.78Å; V1361-V1401 PolarHBondContact O-N 3.47Å; V1361-V1401 VanDerWaalsContact O-N 3.09Å; Y1383-V1401 VanDerWaalsContact CB-CG2 3.46Å; Y1383-V1401 HydrophobicContact CD1-CG2 3.45Å; Y1383-V1401 VanDerWaalsContact CD1-CG2 3.45Å; Y1383-V1401 HydrophobicContact CD2-CG2 4.11Å; Y1383-V1401 HydrophobicContact CE1-CG2 4.21Å; Y1383-V1401 HydrophobicContact CG-CG2 3.39Å; A1391-V1401 HydrophobicContact CB-CG1 4.05Å; C1399-V1401 PolarHBondContact SG-O 3.32Å; C1399-V1401 VanDerWaalsContact SG-O 3.35Å; V1401-I1403 HydrophobicContact CG1-CG1 4.18Å |
| 1402 | E | 78.1 | Confident | 69.1 | Low | 18 Ų | 18 | 53.2 Ų | 53.2 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.9 | 167.6 | -67.6 | 176.3 | 152.9 | 0 | 0 | 110.3 | Y1358 A1391 R1392 P1394 H1396 N1404 | Y1358-E1402 HydrophobicContact CD2-CB 4.2Å; Y1358-E1402 HydrophobicContact CD2-CG 3.85Å; Y1358-E1402 HydrophobicContact CE2-CG 3.9Å; Y1358-E1402 WeakPolarHBondContact CE2-OE1 3.38Å; A1391-E1402 CarbonylContact C-O 3.47Å; A1391-E1402 VanDerWaalsContact CA-O 3.3Å; A1391-E1402 WeakPolarHBondContact CA-O 3.21Å; R1392-E1402 PolarHBondContact N-O 2.83Å; R1392-E1402 PolarHBondContact O-N 2.92Å; P1394-E1402 HydrophobicContact CB-CG 3.89Å; P1394-E1402 HydrophobicContact CG-CG 4.35Å; H1396-E1402 IonicContact CD2-OE1 3.82Å; H1396-E1402 IonicContact CE1-OE1 3.51Å; H1396-E1402 PolarHBondContact CE1-OE1 3.26Å; H1396-E1402 VanDerWaalsContact NE2-CD 3.26Å; H1396-E1402 IonicContact NE2-OE1 2.74Å; H1396-E1402 PolarHBondContact NE2-OE1 3.3Å; E1402-N1404 PolarHBondContact O-ND2 3.38Å |
| 1403 | I | 85.9 | Confident | 67.8 | Low | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 111.7 | 172.8 | -56.6 | 178.6 | 0 | 0 | 0 | 107.8 | L1256 I1258 Y1312 F1314 Y1340 Y1358 I1359 V1361 P1390 V1401 | L1256-I1403 HydrophobicContact CD2-CD1 3.63Å; L1256-I1403 HydrophobicContact CD2-CG1 3.76Å; I1258-I1403 HydrophobicContact CD1-CD1 4.37Å; Y1312-I1403 HydrophobicContact CE2-CD1 4.11Å; F1314-I1403 HydrophobicContact CZ-CG2 4.16Å; Y1340-I1403 HydrophobicContact CD1-CG2 3.82Å; Y1340-I1403 HydrophobicContact CE1-CG2 3.57Å; Y1358-I1403 WeakPolarHBondContact CA-O 3.05Å; I1359-I1403 HydrophobicContact CB-CB 4.23Å; I1359-I1403 PolarHBondContact N-O 2.98Å; I1359-I1403 PolarHBondContact O-N 3.06Å; V1361-I1403 HydrophobicContact CG2-CD1 3.77Å; V1361-I1403 HydrophobicContact CG2-CG1 4.33Å; P1390-I1403 HydrophobicContact CG-CG2 4.02Å; V1401-I1403 HydrophobicContact CG1-CG1 4.18Å |
| 1404 | N | 85.2 | Confident | 66.7 | Low | 14 Ų | 14 | 55.8 Ų | 55.8 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 144 | -167.4 | -68.2 | -108.3 | 0 | 0 | 0 | 112.8 | R1341 P1390 E1402 | R1341-N1404 HydrophobicContact CB-CB 3.66Å; R1341-N1404 PolarHBondContact N-O 3.13Å; R1341-N1404 PolarHBondContact NE-OD1 3.25Å; R1341-N1404 PolarHBondContact NH2-OD1 3.43Å; P1390-N1404 WeakPolarHBondContact O-CB 3.06Å; P1390-N1404 PolarHBondContact O-N 2.93Å; P1390-N1404 PolarHBondContact O-ND2 2.67Å; E1402-N1404 PolarHBondContact O-ND2 3.38Å |
| 1405 | L | 86.4 | Confident | 65.7 | Low | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.6 | -171.5 | -69.4 | 175.9 | 0 | 0 | 0 | 112.9 | P1165 L1197 Y1338 Y1340 E1357 I1359 | P1165-L1405 HydrophobicContact CG-CD2 3.75Å; L1197-L1405 HydrophobicContact CD1-CD1 3.82Å; L1197-L1405 HydrophobicContact CD2-CD1 4.08Å; L1197-L1405 HydrophobicContact CG-CD1 4.29Å; Y1338-L1405 HydrophobicContact CD1-CB 4.02Å; Y1338-L1405 HydrophobicContact CD1-CD1 4.23Å; Y1338-L1405 HydrophobicContact CD1-CD2 4.3Å; Y1338-L1405 HydrophobicContact CD1-CG 4.44Å; Y1338-L1405 HydrophobicContact CE1-CB 4.15Å; Y1338-L1405 HydrophobicContact CE1-CD1 4.11Å; Y1340-L1405 HydrophobicContact CD1-CD2 3.45Å; Y1340-L1405 VanDerWaalsContact CD1-CD2 3.45Å; Y1340-L1405 HydrophobicContact CE1-CD2 3.54Å; Y1340-L1405 HydrophobicContact CG-CD2 4.11Å; E1357-L1405 HydrophobicContact CB-CB 4.2Å; E1357-L1405 PolarHBondContact N-O 2.85Å; E1357-L1405 WeakPolarHBondContact O-CA 3.18Å; E1357-L1405 WeakPolarHBondContact O-CB 2.98Å; E1357-L1405 PolarHBondContact O-N 2.83Å; I1359-L1405 HydrophobicContact CD1-CD1 3.85Å; I1359-L1405 HydrophobicContact CG1-CD1 3.89Å |
| 1406 | C | 88.1 | Confident | 64.6 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 120.6 | 177 | -55.7 | 0 | 0 | 0 | 0 | 109.1 | Y1338 L1339 R1341 C1346 V1354 Y1408 | Y1338-C1406 CarbonylContact C-O 3.47Å; Y1338-C1406 VanDerWaalsContact CA-O 3.28Å; Y1338-C1406 WeakPolarHBondContact CA-O 3.1Å; L1339-C1406 PolarHBondContact N-O 2.91Å; L1339-C1406 PolarHBondContact O-N 3.46Å; R1341-C1406 VanDerWaalsContact CB-SG 3.54Å; C1346-C1406 VanDerWaalsContact CA-SG 3.51Å; C1346-C1406 HydrophobicContact CB-CB 3.72Å; C1346-C1406 WeakPolarHBondContact CB-SG 3.47Å; C1346-C1406 WeakPolarHBondContact SG-CA 3.28Å; C1346-C1406 WeakPolarHBondContact SG-CB 3.46Å; C1346-C1406 CovalentContact SG-SG 2.02Å; C1346-C1406 PolarHBondContact SG-SG 2.93Å; V1354-C1406 HydrophobicContact CG2-CB 3.83Å; C1406-Y1408 HydrophobicContact CB-CD2 4.48Å; C1406-Y1408 HydrophobicContact CB-CE2 3.48Å; C1406-Y1408 VanDerWaalsContact CB-CE2 3.48Å; C1406-Y1408 VanDerWaalsContact CB-OH 3.23Å; C1406-Y1408 WeakPolarHBondContact CB-OH 3.41Å; C1406-Y1408 WeakPolarHBondContact O-CE2 3.5Å |
| 1407 | Y | 85.8 | Confident | 63.4 | Low | 5 Ų | 5 | 62.3 Ų | 62.3 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.9 | 177.9 | 172.8 | -100.5 | 0 | 0 | 0 | 110.5 | H1196 P1336 F1337 Y1338 V1354 T1355 E1409 | H1196-Y1407 HydrophobicContact CB-CD1 4.47Å; H1196-Y1407 HydrophobicContact CB-CD2 3.61Å; H1196-Y1407 HydrophobicContact CB-CE1 4.31Å; H1196-Y1407 HydrophobicContact CB-CE2 3.4Å; H1196-Y1407 VanDerWaalsContact CB-CE2 3.4Å; H1196-Y1407 HydrophobicContact CB-CG 4.14Å; H1196-Y1407 AromaticContact CD2-CE1 3.93Å; H1196-Y1407 AromaticContact CD2-CZ 3.78Å; H1196-Y1407 AromaticContact CG-CE1 3.8Å; H1196-Y1407 AromaticContact CG-CE2 3.82Å; H1196-Y1407 AromaticContact CG-CZ 3.67Å; H1196-Y1407 AromaticContact ND1-CD1 3.78Å; H1196-Y1407 AromaticContact ND1-CE1 3.89Å; P1336-Y1407 HydrophobicContact CB-CE1 4.5Å; P1336-Y1407 HydrophobicContact CB-CE2 3.8Å; P1336-Y1407 WeakPolarHBondContact CB-OH 3.2Å; P1336-Y1407 HydrophobicContact CG-CE2 4.28Å; P1336-Y1407 WeakPolarHBondContact CG-OH 3.41Å; F1337-Y1407 WeakPolarHBondContact O-CA 3.39Å; Y1338-Y1407 HydrophobicContact CD2-CD2 4.33Å; Y1338-Y1407 HydrophobicContact CE1-CD2 4.32Å; Y1338-Y1407 HydrophobicContact CE1-CG 4.49Å; Y1338-Y1407 AromaticContact CE2-CD2 3.87Å; Y1338-Y1407 HydrophobicContact CE2-CD2 3.87Å; Y1338-Y1407 AromaticContact CZ-CD2 3.88Å; V1354-Y1407 CarbonylContact C-O 3.48Å; V1354-Y1407 WeakPolarHBondContact CA-O 3.37Å; T1355-Y1407 PolarHBondContact N-O 3.13Å; T1355-Y1407 PolarHBondContact O-N 3.29Å; Y1407-E1409 HydrophobicContact CE1-CB 4.36Å; Y1407-E1409 HydrophobicContact CE1-CG 4.4Å |
| 1408 | Y | 86.1 | Confident | 62.1 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.7 | -172.7 | -58.8 | -86.6 | 0 | 0 | 0 | 112.1 | P1336 F1337 L1339 Q1347 I1349 H1353 V1354 C1406 | P1336-Y1408 CarbonylContact C-O 3.3Å; P1336-Y1408 WeakPolarHBondContact CA-O 3.3Å; P1336-Y1408 WeakPolarHBondContact CB-O 3.11Å; F1337-Y1408 AromaticContact CD2-CD2 3.86Å; F1337-Y1408 HydrophobicContact CD2-CD2 3.86Å; F1337-Y1408 HydrophobicContact CD2-CG 4.48Å; F1337-Y1408 AromaticContact CE2-CD2 3.52Å; F1337-Y1408 HydrophobicContact CE2-CD2 3.52Å; F1337-Y1408 HydrophobicContact CE2-CE2 4.26Å; F1337-Y1408 AromaticContact CE2-CG 3.93Å; F1337-Y1408 HydrophobicContact CE2-CG 3.93Å; F1337-Y1408 HydrophobicContact CZ-CD2 4.21Å; F1337-Y1408 HydrophobicContact CZ-CG 4.16Å; F1337-Y1408 PolarHBondContact N-O 3.19Å; F1337-Y1408 PolarHBondContact O-N 2.8Å; L1339-Y1408 HydrophobicContact CB-CE2 3.89Å; L1339-Y1408 HydrophobicContact CD1-CD2 4.41Å; L1339-Y1408 HydrophobicContact CD1-CE2 3.69Å; L1339-Y1408 HydrophobicContact CG-CD2 4.34Å; L1339-Y1408 HydrophobicContact CG-CE2 3.76Å; Q1347-Y1408 PolarHBondContact N-OH 3.09Å; Q1347-Y1408 WeakPolarHBondContact O-CE1 3.19Å; Q1347-Y1408 PolarHBondContact O-OH 2.67Å; Q1347-Y1408 VanDerWaalsContact O-OH 3.1Å; I1349-Y1408 HydrophobicContact CB-CD1 4.28Å; I1349-Y1408 HydrophobicContact CD1-CD1 3.4Å; I1349-Y1408 HydrophobicContact CD1-CD2 4.07Å; I1349-Y1408 HydrophobicContact CD1-CE1 3.54Å; I1349-Y1408 HydrophobicContact CD1-CE2 4.18Å; I1349-Y1408 HydrophobicContact CD1-CG 3.69Å; I1349-Y1408 HydrophobicContact CG1-CD1 3.81Å; I1349-Y1408 HydrophobicContact CG1-CE1 3.72Å; H1353-Y1408 WeakPolarHBondContact O-CA 3.28Å; H1353-Y1408 WeakPolarHBondContact O-CD1 3.23Å; V1354-Y1408 HydrophobicContact CB-CD1 3.79Å; V1354-Y1408 HydrophobicContact CB-CE1 3.53Å; V1354-Y1408 HydrophobicContact CG2-CD1 3.76Å; V1354-Y1408 HydrophobicContact CG2-CE1 3.26Å; V1354-Y1408 HydrophobicContact CG2-CE2 4.3Å; V1354-Y1408 HydrophobicContact CG2-CG 4.44Å; C1406-Y1408 HydrophobicContact CB-CD2 4.48Å; C1406-Y1408 HydrophobicContact CB-CE2 3.48Å; C1406-Y1408 VanDerWaalsContact CB-CE2 3.48Å; C1406-Y1408 VanDerWaalsContact CB-OH 3.23Å; C1406-Y1408 WeakPolarHBondContact CB-OH 3.41Å; C1406-Y1408 WeakPolarHBondContact O-CE2 3.5Å |
| 1409 | E | 80.3 | Confident | 60.6 | Low | 62 Ų | 62 | 61.6 Ų | 61.6 | 29% | 0.29 | 35% | 0.346 | S | S | . | . | trans | -148.6 | 158 | -179.4 | 60.1 | -171.7 | 173.9 | 0 | 0 | 111.3 | P1336 M1352 H1353 Y1407 | P1336-E1409 HydrophobicContact CB-CB 3.91Å; M1352-E1409 CarbonylContact C-O 3.56Å; M1352-E1409 WeakPolarHBondContact CA-O 3.3Å; M1352-E1409 VanDerWaalsContact CB-O 3.27Å; M1352-E1409 WeakPolarHBondContact CB-O 3.34Å; H1353-E1409 HydrophobicContact CB-CG 3.54Å; H1353-E1409 IonicContact CE1-OE1 2.72Å; H1353-E1409 IonicContact CG-OE1 3.09Å; H1353-E1409 PolarHBondContact N-O 2.92Å; H1353-E1409 IonicContact ND1-OE1 2.74Å; H1353-E1409 PolarHBondContact ND1-OE1 2.85Å; Y1407-E1409 HydrophobicContact CE1-CB 4.36Å; Y1407-E1409 HydrophobicContact CE1-CG 4.4Å | ||
| 1410 | Q | 69.5 | Low | 58.8 | Low | 110 Ų | 110 | 66.6 Ų | 66.6 | 51% | 0.514 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 155.4 | -167.8 | -160.5 | 172.6 | 25.4 | 0 | 0 | 115.1 | Q844 A1332 G1351 | Q844-Q1410 PolarHBondContact NE2-O 3.29Å; A1332-Q1410 HydrophobicContact CB-CG 4.44Å; G1351-Q1410 CarbonylContact O-C 3.57Å; G1351-Q1410 WeakPolarHBondContact O-CA 3.26Å |
| 1411 | A | 59.1 | Low | 56.7 | Low | 37 Ų | 37 | 72.7 Ų | 72.7 | 31% | 0.306 | 40% | 0.404 | S | S | . | . | trans | -105.5 | 165.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q844 G1351 | Q844-A1411 VanDerWaalsContact NE2-CA 3.31Å; G1351-A1411 WeakPolarHBondContact O-CB 3.33Å; G1351-A1411 PolarHBondContact O-N 3.15Å | ||
| 1412 | A | 50.1 | Low | 54.2 | Low | 40 Ų | 40 | 77.4 Ų | 77.4 | 33% | 0.331 | 44% | 0.437 | S | S | . | . | trans | -109.2 | 153.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q847 | Q847-A1412 HydrophobicContact CB-CB 3.74Å; Q847-A1412 HydrophobicContact CG-CB 4.01Å; Q847-A1412 PolarHBondContact NE2-O 3.06Å; Q847-A1412 PolarHBondContact OE1-O 3.03Å | ||
| 1413 | P | 43.1 | Very low | 51.5 | Low | 118 Ų | 118 | 80.3 Ų | 80.3 | 77% | 0.766 | 45% | 0.448 | S | S | * | . | trans | -82.5 | 165.2 | -177.1 | 34 | -36.8 | 0 | 0 | 0 | 114.4 | ||||
| 1414 | V | 39.2 | Very low | 48.5 | Very low | 108 Ų | 108 | 89.1 Ų | 89.1 | 66% | 0.655 | 48% | 0.482 | S | S | * | . | trans | -131.9 | 156.5 | -176.5 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1415 | S | 38.7 | Very low | 45.7 | Very low | 111 Ų | 111 | 94.8 Ų | 94.8 | 78% | 0.776 | 51% | 0.506 | S | S | * | . | trans | -140.5 | 153.7 | -174.2 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1416 | E | 27.5 | Very low | 42.8 | Very low | 182 Ų | 182 | 102.6 Ų | 102.6 | 85% | 0.85 | 54% | 0.543 | S | S | * | . | trans | -94.4 | 141.6 | -170.1 | -55.2 | 169.3 | 132.2 | 0 | 0 | 114.4 | ||||
| 1417 | N | 27.4 | Very low | 40 | Very low | 133 Ų | 133 | 109.3 Ų | 109.3 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | trans | 147.7 | 140 | 135.1 | -82 | -0.9 | 0 | 0 | 0 | 115.7 | ||||
| 1418 | E | 22.9 | Very low | 37.3 | Very low | 176 Ų | 176 | 114.8 Ų | 114.8 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | trans | 62.7 | 158.9 | 149.1 | -66.6 | 169.8 | 175.4 | 0 | 0 | 121.3 | ||||
| 1419 | V | 21.8 | Very low | 34.7 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | -169.1 | 138.8 | -59.4 | 132.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1420 | T | 21.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | trans | 69.4 | 150.1 | 165.5 | 32.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1421 | E | 21.6 | Very low | 31.2 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 77% | 0.771 | 65% | 0.654 | S | S | * | * | trans | 84.2 | 95.1 | 146.5 | -76.9 | 159 | -146.2 | 0 | 0 | 123.4 | ||||
| 1422 | S | 20.1 | Very low | 30.3 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 65% | 0.652 | S | S | * | * | 32.1 | 137.3 | 120.5 | 54.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1423 | Y | 21.2 | Very low | 29.8 | Very low | 78 Ų | 78 | 126.7 Ų | 126.7 | 31% | 0.306 | 66% | 0.663 | S | S | . | * | cis | -175.1 | 164.3 | 43.5 | -162.5 | -102.7 | 0 | 0 | 0 | 111.8 | D1505 E1506 F1507 | Y1423-D1505 WeakPolarHBondContact CE2-O 3.37Å; Y1423-D1505 PolarHBondContact OH-O 3.09Å; Y1423-E1506 WeakPolarHBondContact CD2-O 3.48Å; Y1423-E1506 VanDerWaalsContact CE2-C 3.45Å; Y1423-E1506 VanDerWaalsContact CE2-O 3.24Å; Y1423-E1506 WeakPolarHBondContact CE2-O 3.42Å; Y1423-F1507 HydrophobicContact CD1-CD2 4.36Å; Y1423-F1507 HydrophobicContact CD1-CG 4.36Å; Y1423-F1507 HydrophobicContact CE1-CB 4.27Å; Y1423-F1507 AromaticContact CE1-CD2 3.48Å; Y1423-F1507 HydrophobicContact CE1-CD2 3.48Å; Y1423-F1507 VanDerWaalsContact CE1-CD2 3.48Å; Y1423-F1507 AromaticContact CE1-CE2 3.92Å; Y1423-F1507 HydrophobicContact CE1-CE2 3.92Å; Y1423-F1507 AromaticContact CE1-CG 3.85Å; Y1423-F1507 HydrophobicContact CE1-CG 3.85Å | ||
| 1424 | Y | 23.5 | Very low | 29.5 | Very low | 187 Ų | 187 | 124.5 Ų | 124.5 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | trans | 165.9 | 143.5 | 140 | -110.5 | -90.3 | 0 | 0 | 0 | 114.5 | F1507 | Y1424-F1507 AromaticContact CD1-CE1 3.99Å; Y1424-F1507 HydrophobicContact CD1-CE1 3.99Å; Y1424-F1507 HydrophobicContact CD1-CZ 4.03Å; Y1424-F1507 HydrophobicContact CE1-CD1 4.3Å; Y1424-F1507 AromaticContact CE1-CE1 3.36Å; Y1424-F1507 HydrophobicContact CE1-CE1 3.36Å; Y1424-F1507 AromaticContact CE1-CZ 3.82Å; Y1424-F1507 HydrophobicContact CE1-CZ 3.82Å; Y1424-F1507 AromaticContact CZ-CE1 3.74Å | ||
| 1425 | F | 26.3 | Very low | 29.4 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | trans | -135.1 | 148.1 | 174 | -92.7 | -90.1 | 0 | 0 | 0 | 110.9 | F1507 | F1425-F1507 HydrophobicContact CB-CE2 4.45Å; F1425-F1507 WeakPolarHBondContact O-CZ 3.28Å | ||
| 1426 | Q | 25.2 | Very low | 29 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 77% | 0.766 | 62% | 0.623 | S | S | * | * | trans | 165 | 112.6 | 138.9 | -94.6 | 174.6 | 22 | 0 | 0 | 113.3 | ||||
| 1427 | T | 28.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 118.1 Ų | 118.1 | 87% | 0.871 | 61% | 0.614 | S | S | * | * | trans | 162.3 | 115.4 | 143.9 | 30.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1428 | E | 29.6 | Very low | 29 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | trans | -111.4 | 143.6 | -167 | -69 | -143.1 | 105.9 | 0 | 0 | 114.8 | R1498 | E1428-R1498 IonicContact OE1-CZ 2.72Å; E1428-R1498 IonicContact OE1-NH1 2.7Å; E1428-R1498 PolarHBondContact OE1-NH1 2.81Å; E1428-R1498 VanDerWaalsContact OE1-NH1 3.13Å; E1428-R1498 IonicContact OE1-NH2 3.11Å; E1428-R1498 PolarHBondContact OE1-NH2 2.77Å; E1428-R1498 IonicContact OE2-NH1 3.74Å | ||
| 1429 | W | 32 | Very low | 29 | Very low | 161 Ų | 161 | 113.2 Ų | 113.2 | 61% | 0.61 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 148.7 | 172.4 | -74.3 | 67.3 | 0 | 0 | 0 | 111.3 | Y1434 F1452 R1498 | W1429-Y1434 HydrophobicContact CE3-CE1 4.08Å; W1429-Y1434 HydrophobicContact CZ3-CD1 4.42Å; W1429-Y1434 HydrophobicContact CZ3-CE1 4.09Å; W1429-F1452 HydrophobicContact CB-CZ 4.1Å; W1429-F1452 HydrophobicContact CG-CZ 4.31Å; W1429-R1498 WeakPolarHBondContact O-CD 3.31Å; W1429-R1498 PolarHBondContact O-NE 2.8Å; W1429-R1498 PolarHBondContact O-NH1 2.97Å |
| 1430 | P | 39.8 | Very low | 29.3 | Very low | 85 Ų | 85 | 112.9 Ų | 112.9 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 155.9 | 172.1 | -23.8 | 34 | 0 | 0 | 0 | 113.3 | G1432 R1498 | P1430-G1432 PolarHBondContact O-N 3.36Å; P1430-R1498 WeakPolarHBondContact O-CD 3.38Å |
| 1431 | L | 36.7 | Very low | 29.7 | Very low | 109 Ų | 109 | 109.6 Ų | 109.6 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -67.3 | 124.2 | 163.7 | -71.1 | 170.6 | 0 | 0 | 0 | 109.1 | R1498 N1500 | L1431-R1498 HydrophobicContact CD2-CB 4.38Å; L1431-R1498 WeakPolarHBondContact CD2-O 3.21Å; L1431-N1500 HydrophobicContact CD2-CB 4.23Å |
| 1432 | G | 39.1 | Very low | 30.5 | Very low | 26 Ų | 26 | 108.5 Ų | 108.5 | 27% | 0.268 | 56% | 0.559 | S | S | . | * | S | Bend | trans | 173 | 172.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1430 Y1434 E1497 R1498 | P1430-G1432 PolarHBondContact O-N 3.36Å; G1432-Y1434 WeakPolarHBondContact O-CD2 3.36Å; G1432-Y1434 WeakPolarHBondContact O-CE2 3.39Å; G1432-E1497 WeakPolarHBondContact O-CA 3.4Å; G1432-R1498 PolarHBondContact O-N 3.05Å |
| 1433 | Q | 40.9 | Very low | 31.5 | Very low | 117 Ų | 117 | 105.5 Ų | 105.5 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.3 | 177.5 | -64.4 | 179.7 | -0.4 | 0 | 0 | 110.3 | Y1495 E1497 | Q1433-Y1495 HydrophobicContact CB-CD2 4.28Å; Q1433-Y1495 HydrophobicContact CG-CD2 4.38Å; Q1433-E1497 HydrophobicContact CG-CB 4.04Å; Q1433-E1497 HydrophobicContact CG-CG 3.91Å; Q1433-E1497 VanDerWaalsContact CG-OE1 3.26Å; Q1433-E1497 WeakPolarHBondContact CG-OE1 3.15Å; Q1433-E1497 PolarHBondContact NE2-OE1 2.89Å |
| 1434 | Y | 36.6 | Very low | 32.5 | Very low | 73 Ų | 73 | 107 Ų | 107 | 29% | 0.286 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 116.8 | -174.5 | -61.9 | -92.1 | 0 | 0 | 0 | 110.5 | W1429 G1432 F1452 Y1495 C1496 | W1429-Y1434 HydrophobicContact CE3-CE1 4.08Å; W1429-Y1434 HydrophobicContact CZ3-CD1 4.42Å; W1429-Y1434 HydrophobicContact CZ3-CE1 4.09Å; G1432-Y1434 WeakPolarHBondContact O-CD2 3.36Å; G1432-Y1434 WeakPolarHBondContact O-CE2 3.39Å; Y1434-F1452 HydrophobicContact CD2-CD1 4.45Å; Y1434-F1452 AromaticContact CD2-CE1 3.75Å; Y1434-F1452 HydrophobicContact CD2-CE1 3.75Å; Y1434-F1452 AromaticContact CE2-CE1 3.98Å; Y1434-F1452 HydrophobicContact CE2-CE1 3.98Å; Y1434-Y1495 CarbonylContact O-C 3.34Å; Y1434-Y1495 WeakPolarHBondContact O-CA 3.49Å; Y1434-C1496 PolarHBondContact N-O 3.34Å; Y1434-C1496 PolarHBondContact O-N 2.81Å |
| 1435 | A | 36.4 | Very low | 33.5 | Very low | 73 Ų | 73 | 105.7 Ų | 105.7 | 60% | 0.603 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1436 | L | 31.4 | Very low | 34.4 | Very low | 89 Ų | 89 | 104.5 Ų | 104.5 | 47% | 0.466 | 55% | 0.548 | S | S | . | . | trans | -121 | 109.1 | -179.8 | -75.1 | 173.6 | 0 | 0 | 0 | 110.1 | H1494 | L1436-H1494 PolarHBondContact N-O 3.24Š| ||
| 1437 | P | 28.6 | Very low | 35.2 | Very low | 104 Ų | 104 | 97.5 Ų | 97.5 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 152.6 | 177.8 | 27.7 | -33.1 | 0 | 0 | 0 | 112 | ||
| 1438 | N | 24.5 | Very low | 35.9 | Very low | 163 Ų | 163 | 91.4 Ų | 91.4 | 87% | 0.872 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 24.3 | 167.7 | -47.6 | -31.7 | 0 | 0 | 0 | 119.1 | ||
| 1439 | V | 24.3 | Very low | 36.5 | Very low | 44 Ų | 44 | 88.5 Ų | 88.5 | 27% | 0.267 | 47% | 0.473 | S | S | . | . | trans | -129.7 | 83.8 | 172.2 | -169.5 | 0 | 0 | 0 | 0 | 113.1 | R1441 H1494 | V1439-R1441 HydrophobicContact CG1-CB 4.49Å; V1439-R1441 HydrophobicContact CG1-CG 3.86Å; V1439-H1494 PolarHBondContact O-CD2 3.41Å | ||
| 1440 | H | 27.4 | Very low | 37.2 | Very low | 120 Ų | 120 | 87.1 Ų | 87.1 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | trans | -88.5 | 101.5 | 163.9 | -165.6 | -64.4 | 0 | 0 | 0 | 109.5 | N1442 H1494 | H1440-N1442 PolarHBondContact CE1-OD1 2.94Å; H1440-H1494 AromaticContact CD2-NE2 3.66Å; H1440-H1494 AromaticContact CG-NE2 3.93Å | ||
| 1441 | R | 29.2 | Very low | 37.6 | Very low | 46 Ų | 46 | 84.3 Ų | 84.3 | 17% | 0.174 | 47% | 0.471 | C | S | . | . | trans | -135.7 | 145.7 | 172.4 | -60.3 | -176.1 | 66.5 | -110.9 | -16.3 | 109.3 | A826 V1439 D1443 K1446 | A826-R1441 PolarHBondContact O-NH2 3.35Å; V1439-R1441 HydrophobicContact CG1-CB 4.49Å; V1439-R1441 HydrophobicContact CG1-CG 3.86Å; R1441-D1443 WeakPolarHBondContact CB-OD1 3.19Å; R1441-D1443 VanDerWaalsContact CZ-CG 3.47Å; R1441-D1443 IonicContact CZ-OD1 2.7Å; R1441-D1443 IonicContact CZ-OD2 2.63Å; R1441-D1443 IonicContact NE-OD1 3.49Å; R1441-D1443 VanDerWaalsContact NH1-CG 3.26Å; R1441-D1443 IonicContact NH1-OD1 3.54Å; R1441-D1443 PolarHBondContact NH1-OD1 3.26Å; R1441-D1443 IonicContact NH1-OD2 3.24Å; R1441-D1443 PolarHBondContact NH1-OD2 3.03Å; R1441-D1443 IonicContact NH2-OD1 2.74Å; R1441-D1443 PolarHBondContact NH2-OD1 3.35Å; R1441-D1443 IonicContact NH2-OD2 2.67Å; R1441-D1443 PolarHBondContact NH2-OD2 3.31Å; R1441-K1446 PolarHBondContact NH1-O 3.47Å | ||
| 1442 | N | 38.6 | Very low | 38.2 | Very low | 142 Ų | 142 | 80.8 Ų | 80.8 | 76% | 0.759 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -93.2 | 3 | -169.5 | -67 | 9.6 | 0 | 0 | 0 | 113.8 | H1440 | H1440-N1442 PolarHBondContact CE1-OD1 2.94Š|
| 1443 | D | 42.3 | Very low | 38.8 | Very low | 39 Ų | 39 | 82.1 Ų | 82.1 | 21% | 0.209 | 45% | 0.454 | C | S | . | . | trans | -95.6 | 89.9 | 172.8 | 52.5 | -34.7 | 0 | 0 | 0 | 110.6 | R1441 D1445 K1446 A1447 | R1441-D1443 WeakPolarHBondContact CB-OD1 3.19Å; R1441-D1443 VanDerWaalsContact CZ-CG 3.47Å; R1441-D1443 IonicContact CZ-OD1 2.7Å; R1441-D1443 IonicContact CZ-OD2 2.63Å; R1441-D1443 IonicContact NE-OD1 3.49Å; R1441-D1443 VanDerWaalsContact NH1-CG 3.26Å; R1441-D1443 IonicContact NH1-OD1 3.54Å; R1441-D1443 PolarHBondContact NH1-OD1 3.26Å; R1441-D1443 IonicContact NH1-OD2 3.24Å; R1441-D1443 PolarHBondContact NH1-OD2 3.03Å; R1441-D1443 IonicContact NH2-OD1 2.74Å; R1441-D1443 PolarHBondContact NH2-OD1 3.35Å; R1441-D1443 IonicContact NH2-OD2 2.67Å; R1441-D1443 PolarHBondContact NH2-OD2 3.31Å; D1443-D1445 PolarHBondContact O-N 3.09Å; D1443-D1445 VanDerWaalsContact O-N 3.1Å; D1443-K1446 PolarHBondContact O-N 3.05Å; D1443-K1446 WeakPolarHBondContact OD2-CB 3.29Å; D1443-A1447 PolarHBondContact O-N 2.74Å | ||
| 1444 | L | 42 | Very low | 39.1 | Very low | 110 Ų | 110 | 77.9 Ų | 77.9 | 58% | 0.576 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -42.3 | -45.6 | -177.5 | -77.4 | 152.6 | 0 | 0 | 0 | 113.5 | K1446 | L1444-K1446 VanDerWaalsContact C-N 3.27Å; L1444-K1446 PolarHBondContact O-N 2.98Å |
| 1445 | D | 44.7 | Very low | 39.6 | Very low | 160 Ų | 160 | 77.3 Ų | 77.3 | 86% | 0.856 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -77.7 | -6.7 | -172.8 | -44.3 | -50.8 | 0 | 0 | 0 | 114.1 | D1443 | D1443-D1445 PolarHBondContact O-N 3.09Å; D1443-D1445 VanDerWaalsContact O-N 3.1Å |
| 1446 | K | 44.2 | Very low | 39.7 | Very low | 108 Ų | 108 | 82.7 Ų | 82.7 | 47% | 0.47 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -131.6 | 12.8 | -178.9 | -73.9 | -176.1 | 176.9 | -174.6 | 0 | 113.3 | I827 R1441 D1443 L1444 | I827-K1446 HydrophobicContact CD1-CD 3.71Å; R1441-K1446 PolarHBondContact NH1-O 3.47Å; D1443-K1446 PolarHBondContact O-N 3.05Å; D1443-K1446 WeakPolarHBondContact OD2-CB 3.29Å; L1444-K1446 VanDerWaalsContact C-N 3.27Å; L1444-K1446 PolarHBondContact O-N 2.98Å |
| 1447 | A | 42.2 | Very low | 39.8 | Very low | 17 Ų | 17 | 85.8 Ų | 85.8 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -24.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | D1443 Q1454 | D1443-A1447 PolarHBondContact O-N 2.74Å; A1447-Q1454 HydrophobicContact CB-CB 4.41Å; A1447-Q1454 HydrophobicContact CB-CG 4.06Å; A1447-Q1454 VanDerWaalsContact CB-NE2 3.28Å |
| 1448 | C | 43.6 | Very low | 39.9 | Very low | 13 Ų | 13 | 83.4 Ų | 83.4 | 9% | 0.088 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -111.4 | 164.5 | 170.9 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | F1452 Q1454 C1496 | C1448-F1452 HydrophobicContact CB-CB 3.94Å; C1448-Q1454 HydrophobicContact CB-CB 4.48Å; C1448-Q1454 WeakPolarHBondContact SG-CA 3.13Å; C1448-Q1454 VanDerWaalsContact SG-CB 3.58Å; C1448-C1496 VanDerWaalsContact CA-SG 3.56Å; C1448-C1496 HydrophobicContact CB-CB 3.77Å; C1448-C1496 WeakPolarHBondContact CB-SG 3.49Å; C1448-C1496 WeakPolarHBondContact SG-CA 3.19Å; C1448-C1496 WeakPolarHBondContact SG-CB 3.33Å; C1448-C1496 CovalentContact SG-SG 2.03Å; C1448-C1496 PolarHBondContact SG-SG 2.94Å |
| 1449 | P | 43 | Very low | 40.2 | Very low | 59 Ų | 59 | 78.7 Ų | 78.7 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | trans | -62.9 | 154.6 | 174.6 | -19.3 | 32 | 0 | 0 | 0 | 112.1 | G1451 F1452 | P1449-G1451 PolarHBondContact O-N 2.05Å; P1449-F1452 HydrophobicContact CB-CD2 3.85Å; P1449-F1452 HydrophobicContact CB-CE2 4.25Å; P1449-F1452 HydrophobicContact CG-CD2 4.2Å; P1449-F1452 WeakPolarHBondContact O-CB 3.32Å; P1449-F1452 PolarHBondContact O-N 3.36Å | ||
| 1450 | P | 46.4 | Very low | 40.5 | Very low | 133 Ų | 133 | 81.7 Ų | 81.7 | 86% | 0.864 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 135.7 | 170.5 | -26.1 | 35.4 | 0 | 0 | 0 | 111.5 | ||
| 1451 | G | 48 | Very low | 40.3 | Very low | 26 Ų | 26 | 83.3 Ų | 83.3 | 27% | 0.268 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 13.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1449 R1498 N1499 | P1449-G1451 PolarHBondContact O-N 2.05Å; G1451-R1498 CarbonylContact O-C 3.46Å; G1451-R1498 WeakPolarHBondContact O-CA 3.42Å; G1451-R1498 WeakPolarHBondContact O-CG 3.4Å; G1451-N1499 PolarHBondContact O-N 3.15Å |
| 1452 | F | 49.5 | Very low | 40.2 | Very low | 34 Ų | 34 | 86.6 Ų | 86.6 | 15% | 0.149 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.2 | 170.5 | -65.4 | -110.9 | 0 | 0 | 0 | 112.1 | W1429 Y1434 C1448 P1449 C1496 E1497 R1498 | W1429-F1452 HydrophobicContact CB-CZ 4.1Å; W1429-F1452 HydrophobicContact CG-CZ 4.31Å; Y1434-F1452 HydrophobicContact CD2-CD1 4.45Å; Y1434-F1452 AromaticContact CD2-CE1 3.75Å; Y1434-F1452 HydrophobicContact CD2-CE1 3.75Å; Y1434-F1452 AromaticContact CE2-CE1 3.98Å; Y1434-F1452 HydrophobicContact CE2-CE1 3.98Å; C1448-F1452 HydrophobicContact CB-CB 3.94Å; P1449-F1452 HydrophobicContact CB-CD2 3.85Å; P1449-F1452 HydrophobicContact CB-CE2 4.25Å; P1449-F1452 HydrophobicContact CG-CD2 4.2Å; P1449-F1452 WeakPolarHBondContact O-CB 3.32Å; P1449-F1452 PolarHBondContact O-N 3.36Å; F1452-C1496 HydrophobicContact CB-CB 4.05Å; F1452-C1496 HydrophobicContact CD1-CB 4.04Å; F1452-C1496 HydrophobicContact CG-CB 4.4Å; F1452-E1497 CarbonylContact C-O 3.53Å; F1452-E1497 WeakPolarHBondContact CA-O 3.43Å; F1452-R1498 HydrophobicContact CD1-CB 3.77Å; F1452-R1498 HydrophobicContact CD1-CG 4.23Å; F1452-R1498 HydrophobicContact CD2-CG 4.32Å; F1452-R1498 HydrophobicContact CE1-CB 3.56Å; F1452-R1498 HydrophobicContact CE1-CG 3.93Å; F1452-R1498 HydrophobicContact CE2-CG 4.01Å; F1452-R1498 HydrophobicContact CG-CB 4.36Å; F1452-R1498 HydrophobicContact CG-CG 4.42Å; F1452-R1498 HydrophobicContact CZ-CB 3.98Å; F1452-R1498 HydrophobicContact CZ-CG 3.81Å |
| 1453 | T | 51 | Low | 39.5 | Very low | 55 Ų | 55 | 86.9 Ų | 86.9 | 34% | 0.337 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 134.7 | 174.7 | -2.1 | 0 | 0 | 0 | 0 | 111.1 | C1496 E1497 N1499 | T1453-C1496 WeakPolarHBondContact O-CA 3.12Å; T1453-E1497 PolarHBondContact N-O 2.85Å; T1453-E1497 PolarHBondContact O-N 2.79Å; T1453-E1497 PolarHBondContact OG1-O 2.73Å; T1453-N1499 PolarHBondContact N-ND2 3.45Å; T1453-N1499 PolarHBondContact OG1-ND2 2.91Å; T1453-N1499 PolarHBondContact OG1-OD1 3.46Å |
| 1454 | Q | 47.4 | Very low | 38.7 | Very low | 27 Ų | 27 | 87.4 Ų | 87.4 | 13% | 0.126 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.4 | 173.7 | -167.3 | -162.9 | 26 | 0 | 0 | 111.3 | A1447 C1448 H1494 | A1447-Q1454 HydrophobicContact CB-CB 4.41Å; A1447-Q1454 HydrophobicContact CB-CG 4.06Å; A1447-Q1454 VanDerWaalsContact CB-NE2 3.28Å; C1448-Q1454 HydrophobicContact CB-CB 4.48Å; C1448-Q1454 WeakPolarHBondContact SG-CA 3.13Å; C1448-Q1454 VanDerWaalsContact SG-CB 3.58Å; Q1454-H1494 PolarHBondContact NE2-ND1 2.78Å |
| 1455 | H | 47.2 | Very low | 37.9 | Very low | 61 Ų | 61 | 84 Ų | 84 | 28% | 0.282 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.4 | 167.9 | -69.7 | -99.8 | 0 | 0 | 0 | 111.3 | Y1495 E1497 | H1455-Y1495 HydrophobicContact CB-CD1 3.99Å; H1455-Y1495 HydrophobicContact CB-CD2 3.8Å; H1455-Y1495 HydrophobicContact CB-CE1 3.58Å; H1455-Y1495 HydrophobicContact CB-CE2 3.38Å; H1455-Y1495 HydrophobicContact CB-CG 4.1Å; H1455-Y1495 AromaticContact CG-CE2 3.79Å; H1455-Y1495 AromaticContact CG-CZ 3.97Å; H1455-Y1495 PolarHBondContact N-O 3.44Å; H1455-Y1495 PolarHBondContact O-N 3.3Å; H1455-E1497 IonicContact NE2-OE2 2.79Å |
| 1456 | Y | 37.4 | Very low | 36.9 | Very low | 187 Ų | 187 | 83.4 Ų | 83.4 | 73% | 0.733 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.6 | -177.2 | 62.2 | -87.9 | 0 | 0 | 0 | 110.8 | ||
| 1457 | Y | 33.5 | Very low | 35.9 | Very low | 153 Ų | 153 | 84.3 Ų | 84.3 | 60% | 0.6 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 137.6 | 159 | -131.1 | -95.9 | 0 | 0 | 0 | 110.7 | N1492 V1493 | Y1457-N1492 WeakPolarHBondContact O-CA 3.01Å; Y1457-V1493 PolarHBondContact N-O 2.91Å; Y1457-V1493 VanDerWaalsContact N-O 3.09Å; Y1457-V1493 PolarHBondContact O-N 2.81Å |
| 1458 | S | 32 | Very low | 35.2 | Very low | 55 Ų | 55 | 91.4 Ų | 91.4 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.8 | 177.2 | -162.8 | 0 | 0 | 0 | 0 | 109.7 | I1460 N1492 | S1458-I1460 VanDerWaalsContact C-N 3.3Å; S1458-I1460 PolarHBondContact O-N 3.25Å; S1458-N1492 WeakPolarHBondContact CB-OD1 3.22Å; S1458-N1492 PolarHBondContact OG-OD1 3.41Å |
| 1459 | L | 29.8 | Very low | 34.4 | Very low | 63 Ų | 63 | 96.5 Ų | 96.5 | 33% | 0.33 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -90.8 | 18.5 | -167.7 | -68.6 | 166.8 | 0 | 0 | 0 | 114.1 | N1461 F1466 V1493 | L1459-N1461 PolarHBondContact O-N 3.02Å; L1459-F1466 HydrophobicContact CD1-CE2 4.13Å; L1459-V1493 HydrophobicContact CD1-CG2 4Å |
| 1460 | I | 30.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 99.8 Ų | 99.8 | 55% | 0.549 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -66.4 | -34.9 | -174.1 | -67.5 | 176.6 | 0 | 0 | 0 | 112.9 | S1458 A1490 | S1458-I1460 VanDerWaalsContact C-N 3.3Å; S1458-I1460 PolarHBondContact O-N 3.25Å; I1460-A1490 HydrophobicContact CD1-CB 4.06Å; I1460-A1490 HydrophobicContact CG1-CB 3.7Å |
| 1461 | N | 24.5 | Very low | 32.6 | Very low | 154 Ų | 154 | 100.8 Ų | 100.8 | 82% | 0.824 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -92.7 | 2 | -172.3 | -80 | 17.1 | 0 | 0 | 0 | 115.7 | L1459 | L1459-N1461 PolarHBondContact O-N 3.02Š|
| 1462 | N | 26.2 | Very low | 31.4 | Very low | 115 Ų | 115 | 106 Ų | 106 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | trans | -136.6 | 63.8 | -178.1 | -101.9 | -13.2 | 0 | 0 | 0 | 112.5 | A1464 A1465 | N1462-A1464 PolarHBondContact O-N 3.14Å; N1462-A1464 VanDerWaalsContact O-N 3.1Å; N1462-A1465 HydrophobicContact CB-CB 4.5Å; N1462-A1465 WeakPolarHBondContact O-CB 3.33Å; N1462-A1465 PolarHBondContact O-N 3.22Å | ||
| 1463 | Q | 23.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 108.6 Ų | 108.6 | 69% | 0.692 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -7.7 | 177.5 | -70.3 | -168.1 | -27.5 | 0 | 0 | 114.6 | ||
| 1464 | A | 25.4 | Very low | 28.9 | Very low | 51 Ų | 51 | 113.7 Ų | 113.7 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.7 | -29.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1462 F1466 F1467 E1468 | N1462-A1464 PolarHBondContact O-N 3.14Å; N1462-A1464 VanDerWaalsContact O-N 3.1Å; A1464-F1466 VanDerWaalsContact C-N 3.26Å; A1464-F1466 PolarHBondContact O-N 3.29Å; A1464-F1466 VanDerWaalsContact O-N 3.14Å; A1464-F1467 PolarHBondContact O-N 3.15Å; A1464-E1468 PolarHBondContact O-N 2.82Å |
| 1465 | A | 25.5 | Very low | 28.1 | Very low | 37 Ų | 37 | 117.2 Ų | 117.2 | 31% | 0.306 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | -23 | -169 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1462 L1469 | N1462-A1465 HydrophobicContact CB-CB 4.5Å; N1462-A1465 WeakPolarHBondContact O-CB 3.33Å; N1462-A1465 PolarHBondContact O-N 3.22Å; A1465-L1469 WeakPolarHBondContact O-CD1 3.5Å; A1465-L1469 WeakPolarHBondContact O-CG 2.93Å |
| 1466 | F | 22.9 | Very low | 27 | Very low | 149 Ų | 149 | 118.2 Ų | 118.2 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -18.3 | 172.4 | -92 | -78.7 | 0 | 0 | 0 | 113.9 | L1459 A1464 | L1459-F1466 HydrophobicContact CD1-CE2 4.13Å; A1464-F1466 VanDerWaalsContact C-N 3.26Å; A1464-F1466 PolarHBondContact O-N 3.29Å; A1464-F1466 VanDerWaalsContact O-N 3.14Å |
| 1467 | F | 24.4 | Very low | 26.5 | Very low | 126 Ų | 126 | 110.8 Ų | 110.8 | 55% | 0.553 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -31.6 | 175.6 | -73.4 | -74 | 0 | 0 | 0 | 112.4 | A1464 L1469 E1470 | A1464-F1467 PolarHBondContact O-N 3.15Å; F1467-L1469 VanDerWaalsContact C-N 3.27Å; F1467-L1469 PolarHBondContact O-N 3.18Å; F1467-E1470 VanDerWaalsContact O-CG 3.28Å; F1467-E1470 WeakPolarHBondContact O-CG 3.36Å |
| 1468 | E | 26.9 | Very low | 26.1 | Very low | 167 Ų | 167 | 107.4 Ų | 107.4 | 78% | 0.78 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -14.6 | 175.2 | -67.2 | -172.4 | 151.3 | 0 | 0 | 113.8 | A1464 | A1464-E1468 PolarHBondContact O-N 2.82Š|
| 1469 | L | 26.1 | Very low | 25.9 | Very low | 120 Ų | 120 | 112.3 Ų | 112.3 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -13.4 | 176.8 | -72.8 | 174.9 | 0 | 0 | 0 | 114.5 | A1465 F1467 L1471 | A1465-L1469 WeakPolarHBondContact O-CD1 3.5Å; A1465-L1469 WeakPolarHBondContact O-CG 2.93Å; F1467-L1469 VanDerWaalsContact C-N 3.27Å; F1467-L1469 PolarHBondContact O-N 3.18Å; L1469-L1471 HydrophobicContact CB-CD1 4.47Å; L1469-L1471 PolarHBondContact O-N 2.97Å |
| 1470 | E | 26.3 | Very low | 25.6 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 59% | 0.593 | 61% | 0.606 | S | S | * | * | trans | 35 | 29.5 | -178.8 | -66.4 | -151.4 | 132.1 | 0 | 0 | 117.5 | F1467 M1472 | F1467-E1470 VanDerWaalsContact O-CG 3.28Å; F1467-E1470 WeakPolarHBondContact O-CG 3.36Å; E1470-M1472 PolarHBondContact O-N 2.76Å | ||
| 1471 | L | 25.5 | Very low | 25.4 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 81% | 0.806 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -66 | -7 | -176 | -91 | 164.7 | 0 | 0 | 0 | 114.5 | L1469 | L1469-L1471 HydrophobicContact CB-CD1 4.47Å; L1469-L1471 PolarHBondContact O-N 2.97Å |
| 1472 | M | 22.9 | Very low | 25.4 | Very low | 137 Ų | 137 | 117.6 Ų | 117.6 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -144.8 | 150.9 | 156.4 | -102.3 | -169.5 | 173.1 | 0 | 0 | 110.6 | E1470 L1476 | E1470-M1472 PolarHBondContact O-N 2.76Å; M1472-L1476 HydrophobicContact CE-CD1 4.49Å; M1472-L1476 HydrophobicContact SD-CD1 3.85Å |
| 1473 | P | 26 | Very low | 25.4 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | trans | -61.3 | 155.5 | -178.4 | -24.3 | 34.8 | 0 | 0 | 0 | 114.5 | S1475 L1476 | P1473-S1475 PolarHBondContact O-N 3.18Å; P1473-L1476 PolarHBondContact O-N 3.03Å; P1473-L1476 VanDerWaalsContact O-N 3.13Å | ||
| 1474 | M | 23.6 | Very low | 25.3 | Very low | 161 Ų | 161 | 116.4 Ų | 116.4 | 79% | 0.793 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.1 | -20.9 | -179.9 | -61.9 | 168.7 | 64.3 | 0 | 0 | 116.2 | ||
| 1475 | S | 28.9 | Very low | 25.2 | Very low | 102 Ų | 102 | 116.5 Ų | 116.5 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -13.4 | -177.9 | 52.9 | 0 | 0 | 0 | 0 | 115.3 | P1473 | P1473-S1475 PolarHBondContact O-N 3.18Š|
| 1476 | L | 25.7 | Very low | 25 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 42% | 0.424 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.5 | -18.6 | -177.5 | -73.1 | 172 | 0 | 0 | 0 | 114.9 | M1472 P1473 Y1479 | M1472-L1476 HydrophobicContact CE-CD1 4.49Å; M1472-L1476 HydrophobicContact SD-CD1 3.85Å; P1473-L1476 PolarHBondContact O-N 3.03Å; P1473-L1476 VanDerWaalsContact O-N 3.13Å; L1476-Y1479 WeakPolarHBondContact O-CB 3.41Å; L1476-Y1479 PolarHBondContact O-N 3.27Å; L1476-Y1479 VanDerWaalsContact O-N 3.17Å |
| 1477 | G | 26.3 | Very low | 25 | Very low | 31 Ų | 31 | 122.9 Ų | 122.9 | 32% | 0.32 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -51.5 | -46.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1479 | G1477-Y1479 VanDerWaalsContact C-N 3.33Å; G1477-Y1479 PolarHBondContact O-N 2.8Å |
| 1478 | P | 26.1 | Very low | 25 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 53% | 0.532 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.7 | -32 | -179.7 | -23.3 | 34.7 | 0 | 0 | 0 | 113.9 | F1480 L1481 E1482 | P1478-F1480 VanDerWaalsContact C-N 3.28Å; P1478-F1480 PolarHBondContact O-N 2.71Å; P1478-L1481 PolarHBondContact O-N 2.82Å; P1478-L1481 VanDerWaalsContact O-N 3.12Å; P1478-E1482 PolarHBondContact O-N 3.21Å |
| 1479 | Y | 27 | Very low | 24.7 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.3 | -30.8 | -172.2 | -174 | -108.3 | 0 | 0 | 0 | 113 | L1476 G1477 | L1476-Y1479 WeakPolarHBondContact O-CB 3.41Å; L1476-Y1479 PolarHBondContact O-N 3.27Å; L1476-Y1479 VanDerWaalsContact O-N 3.17Å; G1477-Y1479 VanDerWaalsContact C-N 3.33Å; G1477-Y1479 PolarHBondContact O-N 2.8Å |
| 1480 | F | 23.9 | Very low | 24.6 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 67% | 0.667 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -87.6 | -18.6 | 176.1 | -94.7 | -81.9 | 0 | 0 | 0 | 114.5 | P1478 | P1478-F1480 VanDerWaalsContact C-N 3.28Å; P1478-F1480 PolarHBondContact O-N 2.71Å |
| 1481 | L | 25.3 | Very low | 24.5 | Very low | 111 Ų | 111 | 120 Ų | 120 | 58% | 0.581 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -80.1 | -29.1 | 176.5 | -78 | 167.9 | 0 | 0 | 0 | 112.6 | P1478 | P1478-L1481 PolarHBondContact O-N 2.82Å; P1478-L1481 VanDerWaalsContact O-N 3.12Å |
| 1482 | E | 25.5 | Very low | 24.8 | Very low | 173 Ų | 173 | 115.5 Ų | 115.5 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -83.4 | -22.1 | 178.4 | -152.5 | 169.4 | -150.9 | 0 | 0 | 113.1 | P1478 M1484 | P1478-E1482 PolarHBondContact O-N 3.21Å; E1482-M1484 VanDerWaalsContact C-N 3.33Å; E1482-M1484 PolarHBondContact O-N 3.42Å |
| 1483 | L | 25.1 | Very low | 25.3 | Very low | 120 Ų | 120 | 111.7 Ų | 111.7 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.7 | -29.2 | 177.4 | -148.5 | 80.6 | 0 | 0 | 0 | 112.8 | ||
| 1484 | M | 21.8 | Very low | 26 | Very low | 118 Ų | 118 | 108.7 Ų | 108.7 | 58% | 0.581 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -100.1 | 65.1 | 173.8 | -72.3 | -66.5 | -68.6 | 0 | 0 | 110.2 | E1482 S1489 | E1482-M1484 VanDerWaalsContact C-N 3.33Å; E1482-M1484 PolarHBondContact O-N 3.42Å; M1484-S1489 VanDerWaalsContact CE-O 3.22Å; M1484-S1489 WeakPolarHBondContact CE-O 3.5Å |
| 1485 | G | 22.6 | Very low | 27 | Very low | 53 Ų | 53 | 103.8 Ų | 103.8 | 55% | 0.546 | 55% | 0.55 | S | S | . | * | trans | -52.6 | 147.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1487 | G1485-N1487 PolarHBondContact O-N 2.97Š| ||
| 1486 | H | 23.2 | Very low | 27.7 | Very low | 192 Ų | 192 | 99.1 Ų | 99.1 | 89% | 0.889 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -59 | 80.3 | -167.8 | -67.4 | -88 | 0 | 0 | 0 | 115.7 | ||
| 1487 | N | 21.6 | Very low | 29 | Very low | 128 Ų | 128 | 98.3 Ų | 98.3 | 68% | 0.684 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -168.6 | 107.5 | 152.1 | -99.6 | -40.3 | 0 | 0 | 0 | 111.2 | G1485 | G1485-N1487 PolarHBondContact O-N 2.97Š|
| 1488 | Y | 23.8 | Very low | 30.3 | Very low | 205 Ų | 205 | 98.7 Ų | 98.7 | 80% | 0.804 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 71.2 | 154.4 | 171.8 | -47.1 | -76.9 | 0 | 0 | 0 | 117.7 | ||
| 1489 | S | 21.3 | Very low | 31.6 | Very low | 94 Ų | 94 | 98.2 Ų | 98.2 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | trans | 58.7 | 66 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 117.3 | M1484 | M1484-S1489 VanDerWaalsContact CE-O 3.22Å; M1484-S1489 WeakPolarHBondContact CE-O 3.5Å | ||
| 1490 | A | 23.3 | Very low | 32.2 | Very low | 51 Ų | 51 | 97.2 Ų | 97.2 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | trans | -65.1 | 154.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1460 N1492 | I1460-A1490 HydrophobicContact CD1-CB 4.06Å; I1460-A1490 HydrophobicContact CG1-CB 3.7Å; A1490-N1492 PolarHBondContact O-N 3.25Å | ||
| 1491 | L | 24.4 | Very low | 32.9 | Very low | 129 Ų | 129 | 94 Ų | 94 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | trans | -69.9 | 98.2 | -174.5 | -163.7 | 77.6 | 0 | 0 | 0 | 111.6 | V1493 | L1491-V1493 HydrophobicContact CD2-CG2 4.49Š| ||
| 1492 | N | 32.7 | Very low | 33 | Very low | 59 Ų | 59 | 96.5 Ų | 96.5 | 32% | 0.316 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 125.8 | 165.6 | -67.3 | -26.5 | 0 | 0 | 0 | 108.7 | Y1457 S1458 A1490 | Y1457-N1492 WeakPolarHBondContact O-CA 3.01Å; S1458-N1492 WeakPolarHBondContact CB-OD1 3.22Å; S1458-N1492 PolarHBondContact OG-OD1 3.41Å; A1490-N1492 PolarHBondContact O-N 3.25Å |
| 1493 | V | 34.3 | Very low | 33.2 | Very low | 57 Ų | 57 | 93.5 Ų | 93.5 | 35% | 0.345 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.9 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | Y1457 L1459 L1491 | Y1457-V1493 PolarHBondContact N-O 2.91Å; Y1457-V1493 VanDerWaalsContact N-O 3.09Å; Y1457-V1493 PolarHBondContact O-N 2.81Å; L1459-V1493 HydrophobicContact CD1-CG2 4Å; L1491-V1493 HydrophobicContact CD2-CG2 4.49Å |
| 1494 | H | 39.6 | Very low | 33.1 | Very low | 25 Ų | 25 | 93.8 Ų | 93.8 | 12% | 0.116 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 139 | 177.9 | -59.7 | -74.5 | 0 | 0 | 0 | 110 | L1436 V1439 H1440 Q1454 | L1436-H1494 PolarHBondContact N-O 3.24Å; V1439-H1494 PolarHBondContact O-CD2 3.41Å; H1440-H1494 AromaticContact CD2-NE2 3.66Å; H1440-H1494 AromaticContact CG-NE2 3.93Å; Q1454-H1494 PolarHBondContact NE2-ND1 2.78Å |
| 1495 | Y | 44.8 | Very low | 33.2 | Very low | 58 Ų | 58 | 92.4 Ų | 92.4 | 23% | 0.227 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.7 | 170.5 | 60.2 | -80.6 | 0 | 0 | 0 | 110.9 | Q1433 Y1434 H1455 | Q1433-Y1495 HydrophobicContact CB-CD2 4.28Å; Q1433-Y1495 HydrophobicContact CG-CD2 4.38Å; Y1434-Y1495 CarbonylContact O-C 3.34Å; Y1434-Y1495 WeakPolarHBondContact O-CA 3.49Å; H1455-Y1495 HydrophobicContact CB-CD1 3.99Å; H1455-Y1495 HydrophobicContact CB-CD2 3.8Å; H1455-Y1495 HydrophobicContact CB-CE1 3.58Å; H1455-Y1495 HydrophobicContact CB-CE2 3.38Å; H1455-Y1495 HydrophobicContact CB-CG 4.1Å; H1455-Y1495 AromaticContact CG-CE2 3.79Å; H1455-Y1495 AromaticContact CG-CZ 3.97Å; H1455-Y1495 PolarHBondContact N-O 3.44Å; H1455-Y1495 PolarHBondContact O-N 3.3Å |
| 1496 | C | 44.2 | Very low | 33.2 | Very low | 4 Ų | 4 | 96.2 Ų | 96.2 | 3% | 0.027 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.3 | -176.4 | -62.9 | 0 | 0 | 0 | 0 | 109.5 | Y1434 C1448 F1452 T1453 | Y1434-C1496 PolarHBondContact N-O 3.34Å; Y1434-C1496 PolarHBondContact O-N 2.81Å; C1448-C1496 VanDerWaalsContact CA-SG 3.56Å; C1448-C1496 HydrophobicContact CB-CB 3.77Å; C1448-C1496 WeakPolarHBondContact CB-SG 3.49Å; C1448-C1496 WeakPolarHBondContact SG-CA 3.19Å; C1448-C1496 WeakPolarHBondContact SG-CB 3.33Å; C1448-C1496 CovalentContact SG-SG 2.03Å; C1448-C1496 PolarHBondContact SG-SG 2.94Å; F1452-C1496 HydrophobicContact CB-CB 4.05Å; F1452-C1496 HydrophobicContact CD1-CB 4.04Å; F1452-C1496 HydrophobicContact CG-CB 4.4Å; T1453-C1496 WeakPolarHBondContact O-CA 3.12Å |
| 1497 | E | 53.1 | Low | 33.1 | Very low | 65 Ų | 65 | 91.5 Ų | 91.5 | 30% | 0.304 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.3 | 179 | -177.4 | 163.5 | -117.1 | 0 | 0 | 110.4 | G1432 Q1433 F1452 T1453 H1455 N1499 | G1432-E1497 WeakPolarHBondContact O-CA 3.4Å; Q1433-E1497 HydrophobicContact CG-CB 4.04Å; Q1433-E1497 HydrophobicContact CG-CG 3.91Å; Q1433-E1497 VanDerWaalsContact CG-OE1 3.26Å; Q1433-E1497 WeakPolarHBondContact CG-OE1 3.15Å; Q1433-E1497 PolarHBondContact NE2-OE1 2.89Å; F1452-E1497 CarbonylContact C-O 3.53Å; F1452-E1497 WeakPolarHBondContact CA-O 3.43Å; T1453-E1497 PolarHBondContact N-O 2.85Å; T1453-E1497 PolarHBondContact O-N 2.79Å; T1453-E1497 PolarHBondContact OG1-O 2.73Å; H1455-E1497 IonicContact NE2-OE2 2.79Å; E1497-N1499 PolarHBondContact O-N 2.04Å |
| 1498 | R | 52.6 | Low | 33.2 | Very low | 38 Ų | 38 | 90.3 Ų | 90.3 | 14% | 0.143 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.9 | -177.7 | -161.7 | -178.6 | -170.8 | -126.8 | -18 | 111 | E1428 W1429 P1430 L1431 G1432 G1451 F1452 | E1428-R1498 IonicContact OE1-CZ 2.72Å; E1428-R1498 IonicContact OE1-NH1 2.7Å; E1428-R1498 PolarHBondContact OE1-NH1 2.81Å; E1428-R1498 VanDerWaalsContact OE1-NH1 3.13Å; E1428-R1498 IonicContact OE1-NH2 3.11Å; E1428-R1498 PolarHBondContact OE1-NH2 2.77Å; E1428-R1498 IonicContact OE2-NH1 3.74Å; W1429-R1498 WeakPolarHBondContact O-CD 3.31Å; W1429-R1498 PolarHBondContact O-NE 2.8Å; W1429-R1498 PolarHBondContact O-NH1 2.97Å; P1430-R1498 WeakPolarHBondContact O-CD 3.38Å; L1431-R1498 HydrophobicContact CD2-CB 4.38Å; L1431-R1498 WeakPolarHBondContact CD2-O 3.21Å; G1432-R1498 PolarHBondContact O-N 3.05Å; G1451-R1498 CarbonylContact O-C 3.46Å; G1451-R1498 WeakPolarHBondContact O-CA 3.42Å; G1451-R1498 WeakPolarHBondContact O-CG 3.4Å; F1452-R1498 HydrophobicContact CD1-CB 3.77Å; F1452-R1498 HydrophobicContact CD1-CG 4.23Å; F1452-R1498 HydrophobicContact CD2-CG 4.32Å; F1452-R1498 HydrophobicContact CE1-CB 3.56Å; F1452-R1498 HydrophobicContact CE1-CG 3.93Å; F1452-R1498 HydrophobicContact CE2-CG 4.01Å; F1452-R1498 HydrophobicContact CG-CB 4.36Å; F1452-R1498 HydrophobicContact CG-CG 4.42Å; F1452-R1498 HydrophobicContact CZ-CB 3.98Å; F1452-R1498 HydrophobicContact CZ-CG 3.81Å |
| 1499 | N | 53.8 | Low | 33.2 | Very low | 72 Ų | 72 | 87 Ų | 87 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 144.8 | 173.4 | -77.6 | -61.5 | 0 | 0 | 0 | 111.4 | G1451 T1453 E1497 I1501 | G1451-N1499 PolarHBondContact O-N 3.15Å; T1453-N1499 PolarHBondContact N-ND2 3.45Å; T1453-N1499 PolarHBondContact OG1-ND2 2.91Å; T1453-N1499 PolarHBondContact OG1-OD1 3.46Å; E1497-N1499 PolarHBondContact O-N 2.04Å; N1499-I1501 PolarHBondContact O-N 2.98Å |
| 1500 | N | 38.9 | Very low | 33.3 | Very low | 138 Ų | 138 | 89.5 Ų | 89.5 | 74% | 0.738 | 46% | 0.462 | S | S | * | . | trans | -82 | 112.2 | -178.2 | -162.8 | 31.5 | 0 | 0 | 0 | 110.3 | L1431 | L1431-N1500 HydrophobicContact CD2-CB 4.23Š| ||
| 1501 | I | 38.4 | Very low | 33.2 | Very low | 84 Ų | 84 | 93 Ų | 93 | 43% | 0.431 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 126 | -178.7 | -60.1 | 174.5 | 0 | 0 | 0 | 108.6 | N1499 I1503 | N1499-I1501 PolarHBondContact O-N 2.98Å; I1501-I1503 HydrophobicContact CG2-CG1 4.45Å |
| 1502 | N | 27.5 | Very low | 33.2 | Very low | 164 Ų | 164 | 89.8 Ų | 89.8 | 88% | 0.877 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -89.9 | 131.6 | 166.8 | -160.2 | 41.7 | 0 | 0 | 0 | 108.5 | ||
| 1503 | I | 30.2 | Very low | 32.6 | Very low | 110 Ų | 110 | 95.9 Ų | 95.9 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -103.3 | 134.9 | -170.4 | -62 | 167.9 | 0 | 0 | 0 | 109.2 | I1501 | I1501-I1503 HydrophobicContact CG2-CG1 4.45Š|
| 1504 | N | 23.8 | Very low | 32 | Very low | 125 Ų | 125 | 98.7 Ų | 98.7 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | trans | -151.7 | 153.2 | 157.2 | -125.1 | 41.9 | 0 | 0 | 0 | 110.3 | ||||
| 1505 | D | 22.4 | Very low | 31.2 | Very low | 89 Ų | 89 | 104.3 Ų | 104.3 | 48% | 0.476 | 55% | 0.55 | S | S | . | . | trans | 77.4 | 105.6 | 156.5 | -52.8 | -33.2 | 0 | 0 | 0 | 121.6 | Y1423 | Y1423-D1505 WeakPolarHBondContact CE2-O 3.37Å; Y1423-D1505 PolarHBondContact OH-O 3.09Å | ||
| 1506 | E | 23.1 | Very low | 30 | Very low | 134 Ų | 134 | 108 Ų | 108 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | trans | 95 | 56.9 | 133.2 | -62.4 | -167.4 | 144.7 | 0 | 0 | 121.7 | Y1423 N1508 | Y1423-E1506 WeakPolarHBondContact CD2-O 3.48Å; Y1423-E1506 VanDerWaalsContact CE2-C 3.45Å; Y1423-E1506 VanDerWaalsContact CE2-O 3.24Å; Y1423-E1506 WeakPolarHBondContact CE2-O 3.42Å; E1506-N1508 PolarHBondContact O-N 2.9Å | ||
| 1507 | F | 22.3 | Very low | 28.9 | Very low | 92 Ų | 92 | 116.9 Ų | 116.9 | 40% | 0.404 | 61% | 0.613 | S | S | . | * | trans | -55.3 | 117.8 | 139.7 | -97.3 | -96.1 | 0 | 0 | 0 | 111.4 | Y1423 Y1424 F1425 | Y1423-F1507 HydrophobicContact CD1-CD2 4.36Å; Y1423-F1507 HydrophobicContact CD1-CG 4.36Å; Y1423-F1507 HydrophobicContact CE1-CB 4.27Å; Y1423-F1507 AromaticContact CE1-CD2 3.48Å; Y1423-F1507 HydrophobicContact CE1-CD2 3.48Å; Y1423-F1507 VanDerWaalsContact CE1-CD2 3.48Å; Y1423-F1507 AromaticContact CE1-CE2 3.92Å; Y1423-F1507 HydrophobicContact CE1-CE2 3.92Å; Y1423-F1507 AromaticContact CE1-CG 3.85Å; Y1423-F1507 HydrophobicContact CE1-CG 3.85Å; Y1424-F1507 AromaticContact CD1-CE1 3.99Å; Y1424-F1507 HydrophobicContact CD1-CE1 3.99Å; Y1424-F1507 HydrophobicContact CD1-CZ 4.03Å; Y1424-F1507 HydrophobicContact CE1-CD1 4.3Å; Y1424-F1507 AromaticContact CE1-CE1 3.36Å; Y1424-F1507 HydrophobicContact CE1-CE1 3.36Å; Y1424-F1507 AromaticContact CE1-CZ 3.82Å; Y1424-F1507 HydrophobicContact CE1-CZ 3.82Å; Y1424-F1507 AromaticContact CZ-CE1 3.74Å; F1425-F1507 HydrophobicContact CB-CE2 4.45Å; F1425-F1507 WeakPolarHBondContact O-CZ 3.28Å | ||
| 1508 | N | 23.1 | Very low | 27.5 | Very low | 103 Ų | 103 | 117 Ų | 117 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | trans | -166.1 | 154.1 | 163.5 | -80.2 | -49.6 | 0 | 0 | 0 | 106.4 | E1506 | E1506-N1508 PolarHBondContact O-N 2.9Š| ||
| 1509 | N | 22.8 | Very low | 26.1 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | cis | -171.1 | 158.2 | -16.7 | -101.2 | -15.5 | 0 | 0 | 0 | 107.1 | ||||
| 1510 | E | 23.3 | Very low | 24.6 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | cis | -168.5 | -177.8 | -20.1 | -143.6 | -70.4 | 92.5 | 0 | 0 | 106.2 | ||||
| 1511 | T | 22.6 | Very low | 23.7 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | 85.2 | 137.1 | 162.4 | 73.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1512 | G | 22.9 | Very low | 22.9 | Very low | 61 Ų | 61 | 127.6 Ų | 127.6 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | cis | 176.8 | 170.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1513 | E | 20.8 | Very low | 22.6 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | 67.2 | 151.9 | 159.1 | -43.6 | -167 | 127.8 | 0 | 0 | 117.9 | ||||
| 1514 | V | 22.5 | Very low | 22.2 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 70% | 0.697 | 71% | 0.714 | S | S | * | * | cis | -146.8 | 127.1 | 26.9 | 169.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1515 | I | 21.2 | Very low | 22.2 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | 30.4 | 131.9 | 134.2 | -26.3 | 169.9 | 0 | 0 | 0 | 119.7 | ||||
| 1516 | I | 21.5 | Very low | 22.1 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | 176.7 | 137.3 | 91.3 | -83.6 | 173.6 | 0 | 0 | 0 | 113.2 | |||||
| 1517 | E | 21.1 | Very low | 22.1 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | trans | 37.8 | 151.2 | 152.5 | -62.6 | 159 | -150.6 | 0 | 0 | 123.5 | ||||
| 1518 | G | 23.3 | Very low | 22 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | 165.6 | 162.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1519 | N | 22.4 | Very low | 21.9 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | 78.5 | 140 | 152.9 | -72 | 7.5 | 0 | 0 | 0 | 126.3 | ||||
| 1520 | N | 23.2 | Very low | 21.8 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 69.3 | 141.7 | 156.9 | -56 | 2.3 | 0 | 0 | 0 | 120.1 | ||||
| 1521 | E | 19.8 | Very low | 21.6 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | cis | 123 | 135.5 | -1 | -78 | -169.3 | 165.4 | 0 | 0 | 115.6 | ||||
| 1522 | G | 22.2 | Very low | 21.4 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 97.4 | 160 | 166.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1523 | E | 21.2 | Very low | 21.3 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | cis | -178.4 | 156.3 | -46 | -108.7 | 178 | 165 | 0 | 0 | 112.4 | ||||
| 1524 | E | 21.8 | Very low | 21.2 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 46.7 | 172.1 | 173.9 | -60 | -132.6 | 85.3 | 0 | 0 | 120.2 | ||||
| 1525 | E | 22 | Very low | 21 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | cis | -133.1 | 169.6 | -8.1 | -118.7 | -136 | 86 | 0 | 0 | 106.5 | V1527 | E1525-V1527 WeakPolarHBondContact OE1-CG2 3.01Š| ||
| 1526 | I | 21.4 | Very low | 20.9 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | cis | 96.5 | 178.4 | 19.7 | -54.3 | 174 | 0 | 0 | 0 | 114.1 | ||||
| 1527 | V | 22.3 | Very low | 20.8 | Very low | 117 Ų | 117 | 126 Ų | 126 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | 88.6 | 148.1 | -168.8 | -176.3 | 0 | 0 | 0 | 0 | 117.9 | E1525 | E1525-V1527 WeakPolarHBondContact OE1-CG2 3.01Š| ||
| 1528 | T | 20.9 | Very low | 20.6 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | -155.7 | 177.8 | -169.4 | 71.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1529 | S | 20.7 | Very low | 20.4 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 112.1 | 152.8 | 148.1 | 81.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1530 | S | 20.1 | Very low | 20.3 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 76.1 | 164.3 | 165.7 | 78.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1531 | S | 19.6 | Very low | 20.2 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | -167.6 | 151.4 | -50.1 | 58.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1532 | S | 19.4 | Very low | 20.2 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 65.8 | 131.5 | 145.9 | 58.9 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1533 | S | 19.5 | Very low | 20.2 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 81 | 129.5 | 135.8 | 56.5 | 0 | 0 | 0 | 0 | 127 | ||||
| 1534 | S | 19.5 | Very low | 20.3 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 82.3 | 127.1 | 134.8 | 55.9 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 1535 | S | 18.9 | Very low | 20.4 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 77.8 | 123 | 135 | 57.7 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1536 | S | 18.7 | Very low | 20.6 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | 73 | 115 | 133.6 | 62 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1537 | S | 18.3 | Very low | 20.8 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 77.1 | 136.7 | 131.7 | 57.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1538 | S | 18.2 | Very low | 20.8 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 78 | 108.2 | 148.7 | 40.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1539 | I | 18.7 | Very low | 21 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 76.7 | 113.3 | 133.5 | -59.3 | 178.2 | 0 | 0 | 0 | 119.9 | ||||
| 1540 | I | 19.6 | Very low | 21 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 61.4 | 89.2 | 154.8 | -60.3 | 170.9 | 0 | 0 | 0 | 117.6 | ||||
| 1541 | T | 21.9 | Very low | 21.4 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | 21.4 | 106 | 137.5 | 54.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1542 | G | 19.7 | Very low | 21.7 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -140.7 | 87.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1543 | L | 22.5 | Very low | 22.1 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 95% | 0.948 | 77% | 0.769 | S | S | * | * | trans | 61.9 | 138.5 | 172.5 | -123.1 | 68.3 | 0 | 0 | 0 | 118.4 | ||||
| 1544 | L | 22.1 | Very low | 23.1 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -156.1 | 132 | 176.6 | -145.4 | 153.8 | 0 | 0 | 0 | 108.7 | ||||
| 1545 | N | 24.2 | Very low | 24 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 18.8 | 136.7 | 171.6 | -56.9 | 9.9 | 0 | 0 | 0 | 121.6 | ||||
| 1546 | D | 26.9 | Very low | 25.1 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -140 | 144.5 | 143.7 | -155.4 | 6.5 | 0 | 0 | 0 | 108.4 | K1557 | D1546-K1557 IonicContact OD2-NZ 3.92Å; D1546-K1557 PolarHBondContact OD2-NZ 2.95Å | ||
| 1547 | D | 24.6 | Very low | 26.3 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | -101.4 | 156.1 | -164.1 | -115.5 | -48.2 | 0 | 0 | 0 | 114.3 | K1549 | D1547-K1549 PolarHBondContact O-N 2.56Š| ||
| 1548 | K | 22.7 | Very low | 27.6 | Very low | 210 Ų | 210 | 125.3 Ų | 125.3 | 91% | 0.913 | 67% | 0.673 | S | S | * | * | trans | -78.6 | 83.8 | 179.9 | -71.6 | -177.4 | -179.1 | 176.2 | 0 | 112.4 | ||||
| 1549 | K | 24.6 | Very low | 28.7 | Very low | 164 Ų | 164 | 122.5 Ų | 122.5 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 149.7 | 157.9 | -88.8 | -174.8 | 174.6 | -179.3 | 0 | 111.7 | D1547 E1552 | D1547-K1549 PolarHBondContact O-N 2.56Å; K1549-E1552 IonicContact NZ-OE1 2.96Å |
| 1550 | L | 21.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 115.4 Ų | 115.4 | 85% | 0.853 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -58.4 | 144.3 | 161.7 | -114.4 | 66.1 | 0 | 0 | 0 | 109.5 | E1552 | L1550-E1552 PolarHBondContact O-N 2.91Š|
| 1551 | P | 27.7 | Very low | 30.5 | Very low | 108 Ų | 108 | 109.2 Ų | 109.2 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 123.9 | -149.4 | 27 | -34.9 | 0 | 0 | 0 | 114.1 | S1553 | P1551-S1553 PolarHBondContact O-N 3.36Š|
| 1552 | E | 26.1 | Very low | 31.2 | Very low | 129 Ų | 129 | 104.8 Ų | 104.8 | 60% | 0.603 | 56% | 0.556 | S | S | * | * | trans | -66 | 72.2 | 158.2 | -65.7 | 166.2 | -179.6 | 0 | 0 | 109.3 | K1549 L1550 Q1554 | K1549-E1552 IonicContact NZ-OE1 2.96Å; L1550-E1552 PolarHBondContact O-N 2.91Å; E1552-Q1554 PolarHBondContact O-N 2.82Å | ||
| 1553 | S | 29.1 | Very low | 31.8 | Very low | 107 Ų | 107 | 107.2 Ų | 107.2 | 75% | 0.748 | 55% | 0.55 | S | S | * | . | trans | -77.1 | 1.3 | -178.8 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | P1551 W1555 | P1551-S1553 PolarHBondContact O-N 3.36Å; S1553-W1555 PolarHBondContact O-N 2.79Å | ||
| 1554 | Q | 39.3 | Very low | 32.3 | Very low | 167 Ų | 167 | 102.1 Ų | 102.1 | 78% | 0.78 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -62.7 | -43.5 | -168.9 | -158.7 | 165.6 | 11.4 | 0 | 0 | 112.1 | E1552 | E1552-Q1554 PolarHBondContact O-N 2.82Š|
| 1555 | W | 38 | Very low | 32.6 | Very low | 96 Ų | 96 | 101.8 Ų | 101.8 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -144 | 141.4 | 170.7 | -88.4 | 54.1 | 0 | 0 | 0 | 107.6 | S1553 Y1560 V1562 C1586 R1588 | S1553-W1555 PolarHBondContact O-N 2.79Å; W1555-Y1560 HydrophobicContact CD2-CE2 4.37Å; W1555-Y1560 AromaticContact CE3-CE2 3.41Å; W1555-Y1560 HydrophobicContact CE3-CE2 3.41Å; W1555-Y1560 VanDerWaalsContact CE3-CE2 3.41Å; W1555-Y1560 AromaticContact CE3-CZ 3.63Å; W1555-Y1560 HydrophobicContact CH2-CE2 4.28Å; W1555-Y1560 HydrophobicContact CZ3-CD2 4.13Å; W1555-Y1560 AromaticContact CZ3-CE2 3.36Å; W1555-Y1560 HydrophobicContact CZ3-CE2 3.36Å; W1555-V1562 HydrophobicContact CH2-CB 3.72Å; W1555-V1562 HydrophobicContact CH2-CG2 3.52Å; W1555-V1562 HydrophobicContact CZ2-CB 4.18Å; W1555-V1562 HydrophobicContact CZ2-CG2 4.1Å; W1555-V1562 HydrophobicContact CZ3-CG2 4.19Å; W1555-C1586 HydrophobicContact CH2-CB 4.44Å; W1555-R1588 VanDerWaalsContact CB-NH1 3.28Å; W1555-R1588 HydrophobicContact CE3-CB 4.06Å; W1555-R1588 HydrophobicContact CZ3-CB 4.15Å; W1555-R1588 PolarHBondContact O-NH1 2.9Å |
| 1556 | P | 43.3 | Very low | 32.7 | Very low | 31 Ų | 31 | 98.2 Ų | 98.2 | 20% | 0.201 | 52% | 0.523 | C | S | . | . | trans | -68 | 162.4 | 173.5 | 32.8 | -40.6 | 0 | 0 | 0 | 112.4 | Y1560 R1588 V1598 | P1556-Y1560 WeakPolarHBondContact CD-OH 3.47Å; P1556-Y1560 HydrophobicContact CG-CE1 4.05Å; P1556-Y1560 VanDerWaalsContact CG-OH 3.31Å; P1556-Y1560 WeakPolarHBondContact CG-OH 3.49Å; P1556-Y1560 PolarHBondContact O-OH 3.3Å; P1556-Y1560 VanDerWaalsContact O-OH 3.08Å; P1556-R1588 VanDerWaalsContact O-CD 3.29Å; P1556-R1588 WeakPolarHBondContact O-CD 3.06Å; P1556-R1588 PolarHBondContact O-NE 3.11Å; P1556-R1588 PolarHBondContact O-NH1 2.83Å; P1556-V1598 HydrophobicContact CB-CG2 4.32Å; P1556-V1598 HydrophobicContact CG-CG2 3.51Å | ||
| 1557 | K | 44.1 | Very low | 32.9 | Very low | 83 Ų | 83 | 97.9 Ų | 97.9 | 36% | 0.361 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -82.7 | 119.3 | 170.1 | -59.4 | -166.1 | 179.9 | -179.5 | 0 | 109.5 | D1546 D1590 I1592 P1595 | D1546-K1557 IonicContact OD2-NZ 3.92Å; D1546-K1557 PolarHBondContact OD2-NZ 2.95Å; K1557-D1590 HydrophobicContact CB-CB 3.82Å; K1557-D1590 HydrophobicContact CG-CB 4.47Å; K1557-D1590 VanDerWaalsContact CG-OD2 3.3Å; K1557-D1590 WeakPolarHBondContact CG-OD2 3.3Å; K1557-I1592 HydrophobicContact CB-CD1 3.46Å; K1557-I1592 VanDerWaalsContact CB-CD1 3.46Å; K1557-I1592 HydrophobicContact CB-CG1 4.24Å; K1557-I1592 HydrophobicContact CD-CD1 3.7Å; K1557-I1592 HydrophobicContact CG-CD1 4.19Å; K1557-P1595 WeakPolarHBondContact O-CB 3.45Å |
| 1558 | G | 43.9 | Very low | 33.1 | Very low | 0 Ų | 0 | 97.4 Ų | 97.4 | 0% | 0 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -176.2 | 179.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1588 D1590 | G1558-R1588 CarbonylContact O-C 3.52Å; G1558-R1588 VanDerWaalsContact O-C 3.31Å; G1558-R1588 VanDerWaalsContact O-O 3.08Å; G1558-D1590 CarbonylContact C-O 3.55Å; G1558-D1590 VanDerWaalsContact C-O 3.3Å; G1558-D1590 WeakPolarHBondContact CA-O 3.16Å; G1558-D1590 PolarHBondContact N-O 2.74Å; G1558-D1590 PolarHBondContact O-N 2.96Å |
| 1559 | D | 42.6 | Very low | 33.5 | Very low | 43 Ų | 43 | 90.7 Ų | 90.7 | 23% | 0.23 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 106.3 | 168.8 | -72.8 | -12.1 | 0 | 0 | 0 | 111 | R1588 T1589 K1613 | D1559-R1588 CarbonylContact C-O 3.57Å; D1559-R1588 VanDerWaalsContact CA-O 3.29Å; D1559-R1588 WeakPolarHBondContact CA-O 3.33Å; D1559-T1589 WeakPolarHBondContact OD1-CA 3.39Å; D1559-K1613 HydrophobicContact CB-CD 3.56Å; D1559-K1613 VanDerWaalsContact O-CB 3.24Å; D1559-K1613 WeakPolarHBondContact O-CB 3.48Å; D1559-K1613 WeakPolarHBondContact O-CD 3.4Å; D1559-K1613 IonicContact OD2-NZ 2.76Å; D1559-K1613 PolarHBondContact OD2-NZ 2.78Å |
| 1560 | Y | 37.8 | Very low | 33.7 | Very low | 4 Ų | 4 | 86.5 Ų | 86.5 | 2% | 0.016 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 165.2 | 176.2 | 61.7 | -88.9 | 0 | 0 | 0 | 111.6 | W1555 P1556 V1562 R1588 K1613 L1615 | W1555-Y1560 HydrophobicContact CD2-CE2 4.37Å; W1555-Y1560 AromaticContact CE3-CE2 3.41Å; W1555-Y1560 HydrophobicContact CE3-CE2 3.41Å; W1555-Y1560 VanDerWaalsContact CE3-CE2 3.41Å; W1555-Y1560 AromaticContact CE3-CZ 3.63Å; W1555-Y1560 HydrophobicContact CH2-CE2 4.28Å; W1555-Y1560 HydrophobicContact CZ3-CD2 4.13Å; W1555-Y1560 AromaticContact CZ3-CE2 3.36Å; W1555-Y1560 HydrophobicContact CZ3-CE2 3.36Å; P1556-Y1560 WeakPolarHBondContact CD-OH 3.47Å; P1556-Y1560 HydrophobicContact CG-CE1 4.05Å; P1556-Y1560 VanDerWaalsContact CG-OH 3.31Å; P1556-Y1560 WeakPolarHBondContact CG-OH 3.49Å; P1556-Y1560 PolarHBondContact O-OH 3.3Å; P1556-Y1560 VanDerWaalsContact O-OH 3.08Å; Y1560-V1562 HydrophobicContact CD2-CG2 4.39Å; Y1560-R1588 HydrophobicContact CE1-CB 4.46Å; Y1560-R1588 PolarHBondContact N-O 2.63Å; Y1560-R1588 PolarHBondContact O-N 3.18Å; Y1560-K1613 WeakPolarHBondContact CA-O 3.26Å; Y1560-K1613 WeakPolarHBondContact CB-O 3.5Å; Y1560-L1615 HydrophobicContact CD2-CD1 3.36Å; Y1560-L1615 HydrophobicContact CD2-CG 4.03Å; Y1560-L1615 HydrophobicContact CE2-CD1 3.47Å; Y1560-L1615 VanDerWaalsContact CE2-CD1 3.47Å; Y1560-L1615 HydrophobicContact CE2-CG 4.1Å; Y1560-L1615 HydrophobicContact CG-CD1 4.22Å; Y1560-L1615 HydrophobicContact CG-CG 4.49Å |
| 1561 | C | 37 | Very low | 34.3 | Very low | 18 Ų | 18 | 81.2 Ų | 81.2 | 12% | 0.122 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.3 | -176.7 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | L1585 C1587 | C1561-L1585 HydrophobicContact CB-CB 4Å; C1561-L1585 HydrophobicContact CB-CD2 3.63Å; C1561-L1585 HydrophobicContact CB-CG 4.49Å; C1561-C1587 HydrophobicContact CB-CB 4.02Å; C1561-C1587 WeakPolarHBondContact CB-SG 3.46Å; C1561-C1587 WeakPolarHBondContact SG-CB 3.49Å; C1561-C1587 CovalentContact SG-SG 2.04Å; C1561-C1587 PolarHBondContact SG-SG 3.17Å |
| 1562 | V | 36.6 | Very low | 34.4 | Very low | 46 Ų | 46 | 81 Ų | 81 | 28% | 0.279 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158.2 | 176 | -161.8 | 0 | 0 | 0 | 0 | 111.1 | W1555 Y1560 C1586 L1615 | W1555-V1562 HydrophobicContact CH2-CB 3.72Å; W1555-V1562 HydrophobicContact CH2-CG2 3.52Å; W1555-V1562 HydrophobicContact CZ2-CB 4.18Å; W1555-V1562 HydrophobicContact CZ2-CG2 4.1Å; W1555-V1562 HydrophobicContact CZ3-CG2 4.19Å; Y1560-V1562 HydrophobicContact CD2-CG2 4.39Å; V1562-C1586 PolarHBondContact N-O 3.01Å; V1562-C1586 PolarHBondContact O-N 2.92Å; V1562-L1615 HydrophobicContact CG2-CD1 3.82Å |
| 1563 | I | 33 | Very low | 34.4 | Very low | 129 Ų | 129 | 80.3 Ų | 80.3 | 66% | 0.662 | 45% | 0.451 | S | S | * | . | trans | -87.2 | 152 | 178 | -57.9 | 170.4 | 0 | 0 | 0 | 110.7 | ||||
| 1564 | S | 32.5 | Very low | 34.4 | Very low | 74 Ų | 74 | 78.3 Ų | 78.3 | 52% | 0.517 | 45% | 0.447 | S | S | . | . | trans | -140.9 | 156.3 | -179.8 | -176.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1565 | T | 28.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 76 Ų | 76 | 89% | 0.89 | 44% | 0.439 | S | S | * | . | trans | -129.9 | 17 | -165.1 | 51.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1566 | A | 27.6 | Very low | 33 | Very low | 65 Ų | 65 | 78.4 Ų | 78.4 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | trans | -96.6 | 141.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1568 | A1566-N1568 VanDerWaalsContact C-N 3.3Å; A1566-N1568 PolarHBondContact O-N 3.35Å | ||
| 1567 | E | 29.2 | Very low | 32.1 | Very low | 129 Ų | 129 | 87.8 Ų | 87.8 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.5 | -168.1 | -69.9 | -138.1 | 72 | 0 | 0 | 116.2 | H1569 R1580 | E1567-H1569 PolarHBondContact O-CE1 2.97Å; E1567-H1569 PolarHBondContact O-N 2.04Å; E1567-H1569 PolarHBondContact O-ND1 2.8Å; E1567-R1580 PolarHBondContact O-NH1 2.94Å; E1567-R1580 IonicContact OE1-CZ 3.01Å; E1567-R1580 IonicContact OE1-NH1 2.78Å; E1567-R1580 PolarHBondContact OE1-NH1 3.36Å; E1567-R1580 IonicContact OE1-NH2 2.73Å; E1567-R1580 PolarHBondContact OE1-NH2 3.49Å |
| 1568 | N | 30.8 | Very low | 31 | Very low | 134 Ų | 134 | 91.7 Ų | 91.7 | 72% | 0.717 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -12.5 | -169.8 | -55 | 49.2 | 0 | 0 | 0 | 114 | A1566 Q1570 | A1566-N1568 VanDerWaalsContact C-N 3.3Å; A1566-N1568 PolarHBondContact O-N 3.35Å; N1568-Q1570 PolarHBondContact O-N 2.87Å |
| 1569 | H | 29.3 | Very low | 30 | Very low | 70 Ų | 70 | 93.4 Ų | 93.4 | 32% | 0.324 | 52% | 0.519 | S | S | . | . | trans | 57 | 30.9 | -173.4 | -67.4 | 63.3 | 0 | 0 | 0 | 113.4 | E1567 R1580 | E1567-H1569 PolarHBondContact O-CE1 2.97Å; E1567-H1569 PolarHBondContact O-N 2.04Å; E1567-H1569 PolarHBondContact O-ND1 2.8Å; H1569-R1580 VanDerWaalsContact CD2-CA 3.47Å; H1569-R1580 WeakPolarHBondContact CD2-CA 3.01Å; H1569-R1580 WeakPolarHBondContact CE1-CD 3.47Å; H1569-R1580 WeakPolarHBondContact CE1-CG 3.03Å; H1569-R1580 WeakPolarHBondContact NE2-CA 3.47Å; H1569-R1580 WeakPolarHBondContact NE2-CB 3.27Å; H1569-R1580 VanDerWaalsContact NE2-CG 3.34Å; H1569-R1580 WeakPolarHBondContact NE2-CG 3.23Å | ||
| 1570 | Q | 29.4 | Very low | 29 | Very low | 75 Ų | 75 | 99.2 Ų | 99.2 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | trans | -120.7 | 110.2 | 167.5 | -75.9 | -172.2 | -24.5 | 0 | 0 | 108.4 | N1568 L1575 | N1568-Q1570 PolarHBondContact O-N 2.87Å; Q1570-L1575 PolarHBondContact NE2-O 2.93Å | ||
| 1571 | C | 33.7 | Very low | 28.3 | Very low | 52 Ų | 52 | 102.8 Ų | 102.8 | 35% | 0.351 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -50.5 | 137.5 | 130.2 | -31.1 | 0 | 0 | 0 | 0 | 105.9 | C1586 | C1571-C1586 HydrophobicContact CB-CB 4.12Å; C1571-C1586 WeakPolarHBondContact CB-SG 3.29Å; C1571-C1586 WeakPolarHBondContact SG-CB 3.32Å; C1571-C1586 CovalentContact SG-SG 2.05Å; C1571-C1586 PolarHBondContact SG-SG 3.23Å |
| 1572 | P | 30.9 | Very low | 27.6 | Very low | 105 Ų | 105 | 111 Ų | 111 | 68% | 0.682 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.5 | 150.3 | -156.9 | 5.1 | -22.8 | 0 | 0 | 0 | 117 | G1574 | P1572-G1574 PolarHBondContact O-N 3.4Š|
| 1573 | P | 25.5 | Very low | 27 | Very low | 113 Ų | 113 | 113.2 Ų | 113.2 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 124.5 | -133.8 | -32.4 | 36.9 | 0 | 0 | 0 | 117.4 | ||
| 1574 | G | 28.6 | Very low | 26.5 | Very low | 65 Ų | 65 | 114.3 Ų | 114.3 | 67% | 0.67 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.8 | -29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1572 | P1572-G1574 PolarHBondContact O-N 3.4Š|
| 1575 | L | 23.4 | Very low | 26.4 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | trans | -91.5 | 170.5 | 178.2 | -104.2 | 70.9 | 0 | 0 | 0 | 114.4 | Q1570 | Q1570-L1575 PolarHBondContact NE2-O 2.93Š| ||
| 1576 | H | 25.2 | Very low | 27 | Very low | 148 Ų | 148 | 108.3 Ų | 108.3 | 69% | 0.685 | 58% | 0.58 | S | S | * | * | trans | -123.8 | 157.9 | -152 | 178.2 | -99.6 | 0 | 0 | 0 | 114.8 | H1578 | H1576-H1578 VanDerWaalsContact C-N 3.29Å; H1576-H1578 PolarHBondContact O-N 2.84Å | ||
| 1577 | R | 23.4 | Very low | 27.5 | Very low | 228 Ų | 228 | 108.6 Ų | 108.6 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 30.1 | -155.1 | -150.6 | -175.6 | -166.5 | -127.5 | 2 | 117.7 | ||
| 1578 | H | 22.1 | Very low | 28.2 | Very low | 165 Ų | 165 | 105.2 Ų | 105.2 | 76% | 0.764 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 1.6 | -175.3 | -85.8 | 77.1 | 0 | 0 | 0 | 116.2 | H1576 | H1576-H1578 VanDerWaalsContact C-N 3.29Å; H1576-H1578 PolarHBondContact O-N 2.84Å |
| 1579 | A | 23 | Very low | 28.7 | Very low | 36 Ų | 36 | 103.8 Ų | 103.8 | 30% | 0.298 | 56% | 0.555 | S | S | . | * | trans | -92 | 15.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1581 | A1579-A1581 PolarHBondContact O-N 2.95Š| ||
| 1580 | R | 22 | Very low | 29.5 | Very low | 164 Ų | 164 | 102.7 Ų | 102.7 | 62% | 0.619 | 55% | 0.552 | S | S | * | * | trans | -78.4 | 60.4 | 170.3 | -169.7 | 162.8 | -169.8 | 154.4 | -5.5 | 110.2 | E1567 H1569 | E1567-R1580 PolarHBondContact O-NH1 2.94Å; E1567-R1580 IonicContact OE1-CZ 3.01Å; E1567-R1580 IonicContact OE1-NH1 2.78Å; E1567-R1580 PolarHBondContact OE1-NH1 3.36Å; E1567-R1580 IonicContact OE1-NH2 2.73Å; E1567-R1580 PolarHBondContact OE1-NH2 3.49Å; H1569-R1580 VanDerWaalsContact CD2-CA 3.47Å; H1569-R1580 WeakPolarHBondContact CD2-CA 3.01Å; H1569-R1580 WeakPolarHBondContact CE1-CD 3.47Å; H1569-R1580 WeakPolarHBondContact CE1-CG 3.03Å; H1569-R1580 WeakPolarHBondContact NE2-CA 3.47Å; H1569-R1580 WeakPolarHBondContact NE2-CB 3.27Å; H1569-R1580 VanDerWaalsContact NE2-CG 3.34Å; H1569-R1580 WeakPolarHBondContact NE2-CG 3.23Å | ||
| 1581 | A | 21.6 | Very low | 30.3 | Very low | 80 Ų | 80 | 105.9 Ų | 105.9 | 66% | 0.661 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -114.3 | -62.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1579 | A1579-A1581 PolarHBondContact O-N 2.95Š|
| 1582 | F | 24.1 | Very low | 30.7 | Very low | 191 Ų | 191 | 107.1 Ų | 107.1 | 84% | 0.838 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -156.2 | -53.2 | 176.9 | -133.5 | -89.3 | 0 | 0 | 0 | 114.8 | ||
| 1583 | S | 23.3 | Very low | 31.6 | Very low | 92 Ų | 92 | 111.5 Ų | 111.5 | 64% | 0.643 | 58% | 0.582 | S | S | * | * | trans | -165 | 107.8 | -174.4 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1584 | E | 22.9 | Very low | 32.5 | Very low | 151 Ų | 151 | 112.7 Ų | 112.7 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | trans | -135.6 | 127.5 | 170.1 | -68.8 | -172.9 | 175.4 | 0 | 0 | 109.7 | ||||
| 1585 | L | 30.2 | Very low | 33.4 | Very low | 75 Ų | 75 | 111.9 Ų | 111.9 | 39% | 0.393 | 57% | 0.565 | S | S | . | * | trans | -77.8 | 143.3 | -179.2 | -64.4 | 75.3 | 0 | 0 | 0 | 110.1 | C1561 C1587 | C1561-L1585 HydrophobicContact CB-CB 4Å; C1561-L1585 HydrophobicContact CB-CD2 3.63Å; C1561-L1585 HydrophobicContact CB-CG 4.49Å; L1585-C1587 VanDerWaalsContact C-N 3.28Å; L1585-C1587 PolarHBondContact O-N 2.98Å | ||
| 1586 | C | 40.7 | Very low | 34.4 | Very low | 19 Ų | 19 | 114.5 Ų | 114.5 | 13% | 0.128 | 57% | 0.571 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.9 | 87.6 | 163.6 | -71.2 | 0 | 0 | 0 | 0 | 108.4 | W1555 V1562 C1571 | W1555-C1586 HydrophobicContact CH2-CB 4.44Å; V1562-C1586 PolarHBondContact N-O 3.01Å; V1562-C1586 PolarHBondContact O-N 2.92Å; C1571-C1586 HydrophobicContact CB-CB 4.12Å; C1571-C1586 WeakPolarHBondContact CB-SG 3.29Å; C1571-C1586 WeakPolarHBondContact SG-CB 3.32Å; C1571-C1586 CovalentContact SG-SG 2.05Å; C1571-C1586 PolarHBondContact SG-SG 3.23Å |
| 1587 | C | 38.1 | Very low | 35.7 | Very low | 70 Ų | 70 | 110.8 Ų | 110.8 | 47% | 0.473 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 136.4 | 171.7 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | C1561 L1585 | C1561-C1587 HydrophobicContact CB-CB 4.02Å; C1561-C1587 WeakPolarHBondContact CB-SG 3.46Å; C1561-C1587 WeakPolarHBondContact SG-CB 3.49Å; C1561-C1587 CovalentContact SG-SG 2.04Å; C1561-C1587 PolarHBondContact SG-SG 3.17Å; L1585-C1587 VanDerWaalsContact C-N 3.28Å; L1585-C1587 PolarHBondContact O-N 2.98Å |
| 1588 | R | 43.3 | Very low | 37.1 | Very low | 59 Ų | 59 | 101.5 Ų | 101.5 | 22% | 0.223 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.8 | 162.3 | -168.8 | 164 | -174.5 | 171.2 | -1.4 | 108 | W1555 P1556 G1558 D1559 Y1560 D1590 | W1555-R1588 VanDerWaalsContact CB-NH1 3.28Å; W1555-R1588 HydrophobicContact CE3-CB 4.06Å; W1555-R1588 HydrophobicContact CZ3-CB 4.15Å; W1555-R1588 PolarHBondContact O-NH1 2.9Å; P1556-R1588 VanDerWaalsContact O-CD 3.29Å; P1556-R1588 WeakPolarHBondContact O-CD 3.06Å; P1556-R1588 PolarHBondContact O-NE 3.11Å; P1556-R1588 PolarHBondContact O-NH1 2.83Å; G1558-R1588 CarbonylContact O-C 3.52Å; G1558-R1588 VanDerWaalsContact O-C 3.31Å; G1558-R1588 VanDerWaalsContact O-O 3.08Å; D1559-R1588 CarbonylContact C-O 3.57Å; D1559-R1588 VanDerWaalsContact CA-O 3.29Å; D1559-R1588 WeakPolarHBondContact CA-O 3.33Å; Y1560-R1588 HydrophobicContact CE1-CB 4.46Å; Y1560-R1588 PolarHBondContact N-O 2.63Å; Y1560-R1588 PolarHBondContact O-N 3.18Å; R1588-D1590 WeakPolarHBondContact CG-OD1 3.25Å; R1588-D1590 IonicContact CZ-OD1 2.67Å; R1588-D1590 IonicContact CZ-OD2 3.72Å; R1588-D1590 VanDerWaalsContact CZ-OD2 3.26Å; R1588-D1590 IonicContact NE-OD1 2.81Å; R1588-D1590 PolarHBondContact NE-OD1 2.67Å; R1588-D1590 IonicContact NE-OD2 2.77Å; R1588-D1590 PolarHBondContact NE-OD2 3Å; R1588-D1590 IonicContact NH2-OD1 2.97Å; R1588-D1590 IonicContact NH2-OD2 2.73Å; R1588-D1590 PolarHBondContact NH2-OD2 2.75Å |
| 1589 | T | 42.4 | Very low | 38.2 | Very low | 103 Ų | 103 | 99.6 Ų | 99.6 | 63% | 0.632 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 43.6 | -175.3 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | D1559 N1591 | D1559-T1589 WeakPolarHBondContact OD1-CA 3.39Å; T1589-N1591 PolarHBondContact O-N 2.89Å |
| 1590 | D | 45.6 | Very low | 39.1 | Very low | 48 Ų | 48 | 103.6 Ų | 103.6 | 26% | 0.257 | 53% | 0.532 | S | S | . | . | trans | -73.7 | 94.7 | 174.7 | -63.5 | 31.6 | 0 | 0 | 0 | 106.8 | K1557 G1558 R1588 I1592 | K1557-D1590 HydrophobicContact CB-CB 3.82Å; K1557-D1590 HydrophobicContact CG-CB 4.47Å; K1557-D1590 VanDerWaalsContact CG-OD2 3.3Å; K1557-D1590 WeakPolarHBondContact CG-OD2 3.3Å; G1558-D1590 CarbonylContact C-O 3.55Å; G1558-D1590 VanDerWaalsContact C-O 3.3Å; G1558-D1590 WeakPolarHBondContact CA-O 3.16Å; G1558-D1590 PolarHBondContact N-O 2.74Å; G1558-D1590 PolarHBondContact O-N 2.96Å; R1588-D1590 WeakPolarHBondContact CG-OD1 3.25Å; R1588-D1590 IonicContact CZ-OD1 2.67Å; R1588-D1590 IonicContact CZ-OD2 3.72Å; R1588-D1590 VanDerWaalsContact CZ-OD2 3.26Å; R1588-D1590 IonicContact NE-OD1 2.81Å; R1588-D1590 PolarHBondContact NE-OD1 2.67Å; R1588-D1590 IonicContact NE-OD2 2.77Å; R1588-D1590 PolarHBondContact NE-OD2 3Å; R1588-D1590 IonicContact NH2-OD1 2.97Å; R1588-D1590 IonicContact NH2-OD2 2.73Å; R1588-D1590 PolarHBondContact NH2-OD2 2.75Å; D1590-I1592 PolarHBondContact O-N 2.83Å | ||
| 1591 | N | 47.5 | Very low | 39.9 | Very low | 142 Ų | 142 | 100.6 Ų | 100.6 | 76% | 0.759 | 53% | 0.533 | S | S | * | . | trans | -70.7 | 67.9 | -167.2 | -160.1 | -25.4 | 0 | 0 | 0 | 112.9 | T1589 | T1589-N1591 PolarHBondContact O-N 2.89Š| ||
| 1592 | I | 41.7 | Very low | 40.7 | Very low | 78 Ų | 78 | 103.2 Ų | 103.2 | 40% | 0.4 | 53% | 0.53 | S | S | . | . | trans | -99.6 | 131.6 | -178.4 | -62.3 | -157.9 | 0 | 0 | 0 | 109.4 | K1557 D1590 D1594 | K1557-I1592 HydrophobicContact CB-CD1 3.46Å; K1557-I1592 VanDerWaalsContact CB-CD1 3.46Å; K1557-I1592 HydrophobicContact CB-CG1 4.24Å; K1557-I1592 HydrophobicContact CD-CD1 3.7Å; K1557-I1592 HydrophobicContact CG-CD1 4.19Å; D1590-I1592 PolarHBondContact O-N 2.83Å; I1592-D1594 VanDerWaalsContact C-N 3.33Å; I1592-D1594 PolarHBondContact O-N 2.87Å | ||
| 1593 | K | 48.4 | Very low | 41.4 | Very low | 196 Ų | 196 | 100.7 Ų | 100.7 | 85% | 0.852 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -64.5 | -35.6 | -178.3 | -66.3 | -174.6 | 175.3 | -176.5 | 0 | 113.3 | ||
| 1594 | D | 45.8 | Very low | 42.3 | Very low | 138 Ų | 138 | 102.2 Ų | 102.2 | 74% | 0.738 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -125.1 | 80.9 | -179.4 | -57.2 | -75.7 | 0 | 0 | 0 | 109.9 | I1592 K1596 | I1592-D1594 VanDerWaalsContact C-N 3.33Å; I1592-D1594 PolarHBondContact O-N 2.87Å; D1594-K1596 PolarHBondContact O-N 3.33Å |
| 1595 | P | 47.4 | Very low | 43.1 | Very low | 48 Ų | 48 | 98 Ų | 98 | 31% | 0.312 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 127.8 | -178.7 | 29.8 | -34.9 | 0 | 0 | 0 | 110.5 | K1557 P1597 P1616 | K1557-P1595 WeakPolarHBondContact O-CB 3.45Å; P1595-P1597 WeakPolarHBondContact O-CD 3.46Å; P1595-P1616 HydrophobicContact CB-CG 4.19Å; P1595-P1616 HydrophobicContact CG-CG 4.38Å |
| 1596 | K | 44.7 | Very low | 43.5 | Very low | 174 Ų | 174 | 96.2 Ų | 96.2 | 76% | 0.757 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 125.4 | -177.6 | -78.6 | -171.3 | 174.2 | -176.7 | 0 | 111.4 | D1594 | D1594-K1596 PolarHBondContact O-N 3.33Š|
| 1597 | P | 52.3 | Low | 43.6 | Very low | 70 Ų | 70 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 144.2 | 179.4 | -23.2 | 34.6 | 0 | 0 | 0 | 114.2 | P1595 P1616 K1618 | P1595-P1597 WeakPolarHBondContact O-CD 3.46Å; P1597-P1616 CarbonylContact C-O 3.54Å; P1597-P1616 VanDerWaalsContact CA-O 3.27Å; P1597-P1616 WeakPolarHBondContact CA-O 3.32Å; P1597-P1616 HydrophobicContact CB-CB 4.33Å; P1597-P1616 HydrophobicContact CG-CB 4.39Å; P1597-K1618 VanDerWaalsContact CB-CA 3.45Å; P1597-K1618 HydrophobicContact CB-CB 3.84Å |
| 1598 | V | 51.2 | Low | 43.8 | Very low | 32 Ų | 32 | 100.1 Ų | 100.1 | 19% | 0.194 | 50% | 0.502 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 129.9 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | P1556 W1600 L1615 P1616 K1618 | P1556-V1598 HydrophobicContact CB-CG2 4.32Å; P1556-V1598 HydrophobicContact CG-CG2 3.51Å; V1598-W1600 VanDerWaalsContact C-N 3.31Å; V1598-W1600 HydrophobicContact CG1-CE3 4.04Å; V1598-W1600 PolarHBondContact O-N 3.14Å; V1598-L1615 HydrophobicContact CB-CD2 4.45Å; V1598-L1615 HydrophobicContact CG2-CD2 3.82Å; V1598-P1616 PolarHBondContact N-O 2.79Å; V1598-K1618 VanDerWaalsContact O-CB 3.26Å; V1598-K1618 WeakPolarHBondContact O-CB 3.42Å; V1598-K1618 PolarHBondContact O-N 2.71Å |
| 1599 | N | 45.4 | Very low | 43.7 | Very low | 126 Ų | 126 | 101.7 Ų | 101.7 | 67% | 0.674 | 51% | 0.511 | S | S | * | . | trans | -78.3 | 81.4 | 170.7 | -164 | 84.5 | 0 | 0 | 0 | 110 | K1618 | N1599-K1618 HydrophobicContact CB-CD 4.42Š| ||
| 1600 | W | 42.9 | Very low | 43.7 | Very low | 119 Ų | 119 | 96.9 Ų | 96.9 | 45% | 0.451 | 48% | 0.482 | S | S | . | . | trans | -82 | 140.9 | -176 | -161.3 | -116.9 | 0 | 0 | 0 | 111.1 | V1598 F1602 I1617 | V1598-W1600 VanDerWaalsContact C-N 3.31Å; V1598-W1600 HydrophobicContact CG1-CE3 4.04Å; V1598-W1600 PolarHBondContact O-N 3.14Å; W1600-F1602 VanDerWaalsContact C-N 3.34Å; W1600-F1602 AromaticContact NE1-CD2 3.57Å; W1600-F1602 PolarHBondContact O-N 2.04Å; W1600-I1617 HydrophobicContact CB-CG2 3.74Å; W1600-I1617 HydrophobicContact CG-CD1 4.38Å | ||
| 1601 | P | 39.1 | Very low | 43.7 | Very low | 101 Ų | 101 | 95.2 Ų | 95.2 | 66% | 0.656 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -80 | -11.5 | -172.9 | 31.2 | -35.4 | 0 | 0 | 0 | 114.5 | ||
| 1602 | F | 36.9 | Very low | 43.6 | Very low | 136 Ų | 136 | 96.3 Ų | 96.3 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | trans | -93.9 | 117.6 | 174.1 | -60.3 | -91.1 | 0 | 0 | 0 | 108.9 | W1600 | W1600-F1602 VanDerWaalsContact C-N 3.34Å; W1600-F1602 AromaticContact NE1-CD2 3.57Å; W1600-F1602 PolarHBondContact O-N 2.04Å | ||
| 1603 | I | 40.2 | Very low | 43.8 | Very low | 138 Ų | 138 | 96.4 Ų | 96.4 | 71% | 0.708 | 47% | 0.474 | S | S | * | . | trans | -111.5 | 34.2 | -169.7 | -33.5 | 179.8 | 0 | 0 | 0 | 110.9 | ||||
| 1604 | E | 41.3 | Very low | 43.9 | Very low | 124 Ų | 124 | 87.5 Ų | 87.5 | 58% | 0.579 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -128.3 | -179.6 | -170.7 | -62 | -176.1 | 168.5 | 0 | 0 | 110.7 | F1606 | E1604-F1606 VanDerWaalsContact O-CD1 3.22Å; E1604-F1606 WeakPolarHBondContact O-CD1 3.44Å |
| 1605 | D | 39.3 | Very low | 44.2 | Very low | 63 Ų | 63 | 82.2 Ų | 82.2 | 34% | 0.337 | 41% | 0.408 | S | S | . | . | trans | -70.6 | 127.9 | 174.9 | -179.7 | -18.8 | 0 | 0 | 0 | 110.8 | H1646 W1652 | D1605-H1646 IonicContact OD1-CD2 2.66Å; D1605-H1646 PolarHBondContact OD1-CD2 2.83Å; D1605-H1646 VanDerWaalsContact OD1-CD2 3.31Å; D1605-H1646 IonicContact OD1-NE2 3.16Å; D1605-H1646 PolarHBondContact OD1-NE2 2.85Å; D1605-H1646 IonicContact OD2-NE2 2.94Å; D1605-W1652 HydrophobicContact CB-CH2 4.36Å | ||
| 1606 | F | 39.4 | Very low | 44.5 | Very low | 37 Ų | 37 | 81.3 Ų | 81.3 | 16% | 0.162 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 164.3 | 171 | 60.6 | -90.8 | 0 | 0 | 0 | 114.1 | E1604 L1608 I1617 H1646 Y1647 | E1604-F1606 VanDerWaalsContact O-CD1 3.22Å; E1604-F1606 WeakPolarHBondContact O-CD1 3.44Å; F1606-L1608 HydrophobicContact CD2-CD1 4.35Å; F1606-L1608 HydrophobicContact CD2-CG 4.23Å; F1606-L1608 HydrophobicContact CE2-CD1 3.98Å; F1606-L1608 HydrophobicContact CE2-CG 4.36Å; F1606-I1617 HydrophobicContact CE2-CD1 3.88Å; F1606-I1617 HydrophobicContact CZ-CD1 3.63Å; F1606-H1646 WeakPolarHBondContact O-CA 3.34Å; F1606-Y1647 AromaticContact CD2-CD2 3.79Å; F1606-Y1647 HydrophobicContact CD2-CD2 3.79Å; F1606-Y1647 HydrophobicContact CD2-CG 4.17Å; F1606-Y1647 HydrophobicContact CE2-CD1 4.21Å; F1606-Y1647 AromaticContact CE2-CD2 3.46Å; F1606-Y1647 HydrophobicContact CE2-CD2 3.46Å; F1606-Y1647 VanDerWaalsContact CE2-CD2 3.46Å; F1606-Y1647 HydrophobicContact CE2-CE2 4.11Å; F1606-Y1647 AromaticContact CE2-CG 3.54Å; F1606-Y1647 HydrophobicContact CE2-CG 3.54Å; F1606-Y1647 HydrophobicContact CZ-CD1 4.28Å; F1606-Y1647 HydrophobicContact CZ-CD2 4.21Å; F1606-Y1647 AromaticContact CZ-CG 3.8Å; F1606-Y1647 HydrophobicContact CZ-CG 3.8Å; F1606-Y1647 PolarHBondContact N-O 2.93Å; F1606-Y1647 PolarHBondContact O-N 2.62Å |
| 1607 | F | 42.4 | Very low | 45 | Very low | 102 Ų | 102 | 73.4 Ų | 73.4 | 45% | 0.447 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.4 | -178.6 | -66.1 | -110.1 | 0 | 0 | 0 | 111.4 | Y1625 L1644 C1645 H1646 | F1607-Y1625 HydrophobicContact CD1-CE2 4.46Å; F1607-Y1625 HydrophobicContact CE1-CD2 4.43Å; F1607-Y1625 AromaticContact CE1-CE2 3.81Å; F1607-Y1625 HydrophobicContact CE1-CE2 3.81Å; F1607-L1644 HydrophobicContact CB-CD1 4.19Å; F1607-L1644 HydrophobicContact CD1-CD2 3.8Å; F1607-L1644 HydrophobicContact CD1-CG 4.03Å; F1607-L1644 HydrophobicContact CE1-CD2 4.46Å; F1607-C1645 CarbonylContact C-O 3.58Å; F1607-C1645 VanDerWaalsContact CA-O 3.28Å; F1607-C1645 WeakPolarHBondContact CA-O 3.23Å; F1607-H1646 HydrophobicContact CD1-CB 3.75Å; F1607-H1646 HydrophobicContact CE1-CB 3.64Å; F1607-H1646 AromaticContact CE1-CG 3.66Å; F1607-H1646 AromaticContact CE2-CD2 3.62Å; F1607-H1646 HydrophobicContact CG-CB 4.34Å; F1607-H1646 HydrophobicContact CZ-CB 4.11Å; F1607-H1646 AromaticContact CZ-CD2 3.53Å; F1607-H1646 AromaticContact CZ-CG 3.61Å; F1607-H1646 AromaticContact CZ-ND1 3.91Å; F1607-H1646 AromaticContact CZ-NE2 3.82Å |
| 1608 | L | 41.9 | Very low | 45.3 | Very low | 69 Ų | 69 | 74.3 Ų | 74.3 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 139.8 | 172.8 | -67.1 | 169.6 | 0 | 0 | 0 | 110.2 | F1606 C1645 Y1647 | F1606-L1608 HydrophobicContact CD2-CD1 4.35Å; F1606-L1608 HydrophobicContact CD2-CG 4.23Å; F1606-L1608 HydrophobicContact CE2-CD1 3.98Å; F1606-L1608 HydrophobicContact CE2-CG 4.36Å; L1608-C1645 PolarHBondContact N-O 3.35Å; L1608-C1645 WeakPolarHBondContact O-CA 3.4Å; L1608-C1645 VanDerWaalsContact O-CB 3.31Å; L1608-C1645 WeakPolarHBondContact O-CB 3.37Å; L1608-C1645 PolarHBondContact O-N 2.97Å; L1608-Y1647 HydrophobicContact CB-CE2 4.02Å; L1608-Y1647 HydrophobicContact CD1-CE2 3.93Å; L1608-Y1647 HydrophobicContact CG-CE2 4.21Å |
| 1609 | F | 42.3 | Very low | 45.6 | Very low | 91 Ų | 91 | 77 Ų | 77 | 40% | 0.399 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.7 | 163.4 | -74.4 | -86.5 | 0 | 0 | 0 | 110 | V1627 L1644 | F1609-V1627 HydrophobicContact CE1-CB 4.18Å; F1609-V1627 HydrophobicContact CE1-CG1 4.28Å; F1609-V1627 HydrophobicContact CE1-CG2 4Å; F1609-L1644 HydrophobicContact CD1-CB 4.31Å; F1609-L1644 HydrophobicContact CD1-CD1 4.19Å; F1609-L1644 HydrophobicContact CD2-CD1 3.86Å; F1609-L1644 HydrophobicContact CE1-CB 4.14Å; F1609-L1644 HydrophobicContact CE1-CD1 4.15Å; F1609-L1644 HydrophobicContact CE2-CD1 3.81Å; F1609-L1644 HydrophobicContact CG-CD1 4.05Å; F1609-L1644 HydrophobicContact CZ-CD1 3.96Å |
| 1610 | G | 41.5 | Very low | 45.9 | Very low | 3 Ų | 3 | 72 Ų | 72 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | trans | -123.3 | 3.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | K1613 V1643 | G1610-K1613 CarbonylContact O-C 3.4Å; G1610-K1613 PolarHBondContact O-N 3.2Å; G1610-V1643 PolarHBondContact N-O 2.9Å | ||
| 1611 | G | 46.1 | Very low | 46.5 | Very low | 12 Ų | 12 | 69.6 Ų | 69.6 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -137.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1613 D1642 V1643 | G1611-K1613 VanDerWaalsContact C-N 3.28Å; G1611-K1613 PolarHBondContact O-N 2.88Å; G1611-D1642 WeakPolarHBondContact CA-OD1 3.04Å; G1611-D1642 PolarHBondContact N-OD1 3.38Å; G1611-D1642 VanDerWaalsContact N-OD1 3.09Å; G1611-V1643 WeakPolarHBondContact O-CB 3.07Å; G1611-V1643 VanDerWaalsContact O-CG2 3.22Å; G1611-V1643 WeakPolarHBondContact O-CG2 3.17Å; G1611-V1643 PolarHBondContact O-N 3.39Å |
| 1612 | E | 44.4 | Very low | 47.1 | Very low | 166 Ų | 166 | 66.4 Ų | 66.4 | 78% | 0.776 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.4 | 176.9 | -61.7 | -168.9 | 155.4 | 0 | 0 | 114 | R1624 | E1612-R1624 PolarHBondContact O-NH1 2.84Š|
| 1613 | K | 46.3 | Very low | 47.5 | Very low | 79 Ų | 79 | 62.3 Ų | 62.3 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -148.6 | 121.5 | -167 | -66.4 | 177.7 | -171.4 | -178.4 | 0 | 112.5 | D1559 Y1560 G1610 G1611 | D1559-K1613 HydrophobicContact CB-CD 3.56Å; D1559-K1613 VanDerWaalsContact O-CB 3.24Å; D1559-K1613 WeakPolarHBondContact O-CB 3.48Å; D1559-K1613 WeakPolarHBondContact O-CD 3.4Å; D1559-K1613 IonicContact OD2-NZ 2.76Å; D1559-K1613 PolarHBondContact OD2-NZ 2.78Å; Y1560-K1613 WeakPolarHBondContact CA-O 3.26Å; Y1560-K1613 WeakPolarHBondContact CB-O 3.5Å; G1610-K1613 CarbonylContact O-C 3.4Å; G1610-K1613 PolarHBondContact O-N 3.2Å; G1611-K1613 VanDerWaalsContact C-N 3.28Å; G1611-K1613 PolarHBondContact O-N 2.88Å |
| 1614 | C | 50.6 | Low | 47.7 | Very low | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | trans | -58.3 | 152.5 | 173.1 | -47.7 | 0 | 0 | 0 | 0 | 113.4 | V1622 R1624 C1645 | C1614-V1622 HydrophobicContact CB-CB 4.46Å; C1614-V1622 HydrophobicContact CB-CG1 3.68Å; C1614-R1624 WeakPolarHBondContact SG-CG 3.32Å; C1614-R1624 PolarHBondContact SG-NE 3.33Å; C1614-C1645 WeakPolarHBondContact CA-SG 3.3Å; C1614-C1645 HydrophobicContact CB-CB 3.68Å; C1614-C1645 WeakPolarHBondContact CB-SG 3.08Å; C1614-C1645 WeakPolarHBondContact SG-CB 3.05Å; C1614-C1645 CovalentContact SG-SG 2.02Å; C1614-C1645 PolarHBondContact SG-SG 2.66Å | ||
| 1615 | L | 51.7 | Low | 47.7 | Very low | 28 Ų | 28 | 58.6 Ų | 58.6 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | trans | -55.5 | 144.4 | 163 | -126.1 | 100 | 0 | 0 | 0 | 110.1 | Y1560 V1562 V1598 I1617 Y1647 | Y1560-L1615 HydrophobicContact CD2-CD1 3.36Å; Y1560-L1615 HydrophobicContact CD2-CG 4.03Å; Y1560-L1615 HydrophobicContact CE2-CD1 3.47Å; Y1560-L1615 VanDerWaalsContact CE2-CD1 3.47Å; Y1560-L1615 HydrophobicContact CE2-CG 4.1Å; Y1560-L1615 HydrophobicContact CG-CD1 4.22Å; Y1560-L1615 HydrophobicContact CG-CG 4.49Å; V1562-L1615 HydrophobicContact CG2-CD1 3.82Å; V1598-L1615 HydrophobicContact CB-CD2 4.45Å; V1598-L1615 HydrophobicContact CG2-CD2 3.82Å; L1615-I1617 HydrophobicContact CB-CG1 4.24Å; L1615-I1617 HydrophobicContact CD2-CD1 4.09Å; L1615-I1617 HydrophobicContact CD2-CG1 3.77Å; L1615-Y1647 HydrophobicContact CB-CE1 4.29Å; L1615-Y1647 WeakPolarHBondContact CB-OH 3.35Å; L1615-Y1647 PolarHBondContact N-OH 2.04Å; L1615-Y1647 VanDerWaalsContact N-OH 3.15Å; L1615-Y1647 WeakPolarHBondContact O-CE1 3.31Å | ||
| 1616 | P | 55.2 | Low | 47.7 | Very low | 29 Ų | 29 | 61.2 Ų | 61.2 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | trans | -85.2 | 112.6 | 160.6 | 31.7 | -27.9 | 0 | 0 | 0 | 108.8 | P1595 P1597 V1598 | P1595-P1616 HydrophobicContact CB-CG 4.19Å; P1595-P1616 HydrophobicContact CG-CG 4.38Å; P1597-P1616 CarbonylContact C-O 3.54Å; P1597-P1616 VanDerWaalsContact CA-O 3.27Å; P1597-P1616 WeakPolarHBondContact CA-O 3.32Å; P1597-P1616 HydrophobicContact CB-CB 4.33Å; P1597-P1616 HydrophobicContact CG-CB 4.39Å; V1598-P1616 PolarHBondContact N-O 2.79Å | ||
| 1617 | I | 55.6 | Low | 47.5 | Very low | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -106.5 | 134.6 | 174.2 | -67.2 | 178.4 | 0 | 0 | 0 | 109 | W1600 F1606 L1615 T1620 Y1647 | W1600-I1617 HydrophobicContact CB-CG2 3.74Å; W1600-I1617 HydrophobicContact CG-CD1 4.38Å; F1606-I1617 HydrophobicContact CE2-CD1 3.88Å; F1606-I1617 HydrophobicContact CZ-CD1 3.63Å; L1615-I1617 HydrophobicContact CB-CG1 4.24Å; L1615-I1617 HydrophobicContact CD2-CD1 4.09Å; L1615-I1617 HydrophobicContact CD2-CG1 3.77Å; I1617-T1620 HydrophobicContact CB-CG2 4.48Å; I1617-T1620 WeakPolarHBondContact CB-OG1 3.38Å; I1617-T1620 HydrophobicContact CG2-CG2 3.92Å; I1617-T1620 PolarHBondContact O-N 3.02Å; I1617-T1620 PolarHBondContact O-OG1 2.81Å; I1617-Y1647 HydrophobicContact CB-CD1 4.06Å; I1617-Y1647 HydrophobicContact CB-CE1 4.24Å; I1617-Y1647 HydrophobicContact CD1-CD1 3.82Å; I1617-Y1647 HydrophobicContact CD1-CE1 3.71Å; I1617-Y1647 HydrophobicContact CG1-CD1 4.15Å; I1617-Y1647 HydrophobicContact CG1-CE1 3.93Å |
| 1618 | K | 57.2 | Low | 47.2 | Very low | 89 Ų | 89 | 62.7 Ų | 62.7 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 139.7 | -173.7 | -174.1 | 176.5 | 166.8 | -71.4 | 0 | 109.6 | P1597 V1598 N1599 T1620 | P1597-K1618 VanDerWaalsContact CB-CA 3.45Å; P1597-K1618 HydrophobicContact CB-CB 3.84Å; V1598-K1618 VanDerWaalsContact O-CB 3.26Å; V1598-K1618 WeakPolarHBondContact O-CB 3.42Å; V1598-K1618 PolarHBondContact O-N 2.71Å; N1599-K1618 HydrophobicContact CB-CD 4.42Å; K1618-T1620 PolarHBondContact O-N 2.79Å |
| 1619 | D | 57.8 | Low | 46.8 | Very low | 89 Ų | 89 | 63.1 Ų | 63.1 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 33.3 | -178.3 | -45 | -31.5 | 0 | 0 | 0 | 113.1 | P1649 I1650 | D1619-P1649 CarbonylContact O-C 3.49Å; D1619-P1649 WeakPolarHBondContact O-CA 3.06Å; D1619-I1650 PolarHBondContact O-N 2.77Å |
| 1620 | T | 51.1 | Low | 46.4 | Very low | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.8 | 170.6 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | I1617 K1618 L1648 I1650 | I1617-T1620 HydrophobicContact CB-CG2 4.48Å; I1617-T1620 WeakPolarHBondContact CB-OG1 3.38Å; I1617-T1620 HydrophobicContact CG2-CG2 3.92Å; I1617-T1620 PolarHBondContact O-N 3.02Å; I1617-T1620 PolarHBondContact O-OG1 2.81Å; K1618-T1620 PolarHBondContact O-N 2.79Å; T1620-L1648 CarbonylContact C-O 3.55Å; T1620-L1648 WeakPolarHBondContact CA-O 3.45Å; T1620-L1648 WeakPolarHBondContact CB-O 3.47Å; T1620-I1650 WeakPolarHBondContact O-CD1 3.48Å |
| 1621 | H | 55.6 | Low | 46 | Very low | 70 Ų | 70 | 67 Ų | 67 | 32% | 0.324 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 150.9 | 159.2 | -178.4 | 66.1 | 0 | 0 | 0 | 109.2 | Y1647 L1648 M1653 | H1621-Y1647 WeakPolarHBondContact O-CA 3.4Å; H1621-L1648 PolarHBondContact N-O 3.5Å; H1621-L1648 PolarHBondContact O-N 3.16Å; H1621-M1653 HydrophobicContact CB-CE 3.77Å; H1621-M1653 HydrophobicContact CB-CG 4.22Å; H1621-M1653 HydrophobicContact CB-SD 3.72Å; H1621-M1653 WeakPolarHBondContact ND1-CE 3.39Å; H1621-M1653 PolarHBondContact ND1-SD 3.47Å; H1621-M1653 VanDerWaalsContact ND1-SD 3.4Å |
| 1622 | V | 51.7 | Low | 45.4 | Very low | 33 Ų | 33 | 70.7 Ų | 70.7 | 20% | 0.2 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 108.7 | -176.5 | -160.8 | 0 | 0 | 0 | 0 | 112.1 | C1614 C1645 H1646 Y1647 | C1614-V1622 HydrophobicContact CB-CB 4.46Å; C1614-V1622 HydrophobicContact CB-CG1 3.68Å; V1622-C1645 HydrophobicContact CG1-CB 3.95Å; V1622-H1646 CarbonylContact C-O 3.54Å; V1622-H1646 VanDerWaalsContact CA-O 3.31Å; V1622-H1646 WeakPolarHBondContact CA-O 3.48Å; V1622-Y1647 HydrophobicContact CB-CD1 4.27Å; V1622-Y1647 HydrophobicContact CB-CE1 4.29Å; V1622-Y1647 HydrophobicContact CG1-CD1 3.82Å; V1622-Y1647 HydrophobicContact CG1-CD2 4.21Å; V1622-Y1647 HydrophobicContact CG1-CE1 3.63Å; V1622-Y1647 HydrophobicContact CG1-CE2 4.02Å; V1622-Y1647 HydrophobicContact CG1-CG 4.11Å; V1622-Y1647 HydrophobicContact CG2-CD1 3.49Å; V1622-Y1647 VanDerWaalsContact CG2-CD1 3.49Å; V1622-Y1647 HydrophobicContact CG2-CE1 3.58Å; V1622-Y1647 HydrophobicContact CG2-CG 4.36Å |
| 1623 | E | 46.3 | Very low | 44.7 | Very low | 51 Ų | 51 | 65.9 Ų | 65.9 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 148.6 | 172.7 | -84.1 | -132.9 | 140.2 | 0 | 0 | 111.8 | Y1625 C1645 H1646 L1648 R1671 | E1623-Y1625 WeakPolarHBondContact OE2-CE1 3.49Å; E1623-Y1625 PolarHBondContact OE2-OH 3.28Å; E1623-C1645 CarbonylContact O-C 3.47Å; E1623-C1645 VanDerWaalsContact O-CA 3.32Å; E1623-C1645 WeakPolarHBondContact O-CA 3.3Å; E1623-H1646 HydrophobicContact CB-CB 4.15Å; E1623-H1646 PolarHBondContact N-O 3.28Å; E1623-H1646 PolarHBondContact O-N 3.35Å; E1623-L1648 HydrophobicContact CG-CD1 4.21Å; E1623-R1671 VanDerWaalsContact CD-NH2 3.26Å; E1623-R1671 IonicContact OE1-CZ 3.26Å; E1623-R1671 IonicContact OE1-NH1 2.69Å; E1623-R1671 PolarHBondContact OE1-NH1 2.8Å; E1623-R1671 IonicContact OE1-NH2 3.27Å; E1623-R1671 IonicContact OE2-CZ 2.74Å; E1623-R1671 IonicContact OE2-NH1 3.44Å; E1623-R1671 PolarHBondContact OE2-NH1 2.9Å; E1623-R1671 IonicContact OE2-NH2 2.99Å; E1623-R1671 PolarHBondContact OE2-NH2 2.85Å |
| 1624 | R | 43.1 | Very low | 43.9 | Very low | 121 Ų | 121 | 71.2 Ų | 71.2 | 46% | 0.457 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.3 | -178.9 | -69.2 | -177 | -170.5 | -162.2 | 1.1 | 111.8 | E1612 C1614 V1643 R1671 | E1612-R1624 PolarHBondContact O-NH1 2.84Å; C1614-R1624 WeakPolarHBondContact SG-CG 3.32Å; C1614-R1624 PolarHBondContact SG-NE 3.33Å; R1624-V1643 HydrophobicContact CB-CG1 3.59Å; R1624-V1643 HydrophobicContact CG-CG1 3.77Å; R1624-R1671 PolarHBondContact O-NE 2.82Å; R1624-R1671 PolarHBondContact O-NH2 3.49Å |
| 1625 | Y | 42.2 | Very low | 43 | Very low | 62 Ų | 62 | 74.7 Ų | 74.7 | 24% | 0.243 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.4 | 173.4 | -49.8 | -74.5 | 0 | 0 | 0 | 109.8 | F1607 E1623 V1627 V1643 L1644 H1646 R1671 | F1607-Y1625 HydrophobicContact CD1-CE2 4.46Å; F1607-Y1625 HydrophobicContact CE1-CD2 4.43Å; F1607-Y1625 AromaticContact CE1-CE2 3.81Å; F1607-Y1625 HydrophobicContact CE1-CE2 3.81Å; E1623-Y1625 WeakPolarHBondContact OE2-CE1 3.49Å; E1623-Y1625 PolarHBondContact OE2-OH 3.28Å; Y1625-V1627 PolarHBondContact O-N 3Å; Y1625-V1643 WeakPolarHBondContact O-CA 3.32Å; Y1625-L1644 HydrophobicContact CD2-CD2 4.43Å; Y1625-L1644 PolarHBondContact N-O 2.03Å; Y1625-L1644 PolarHBondContact O-N 3.44Å; Y1625-H1646 HydrophobicContact CD2-CB 4.4Å; Y1625-H1646 HydrophobicContact CE2-CB 3.59Å; Y1625-H1646 AromaticContact CE2-ND1 3.78Å; Y1625-H1646 AromaticContact CZ-ND1 3.78Å; Y1625-H1646 PolarHBondContact OH-ND1 3Å; Y1625-R1671 HydrophobicContact CD1-CG 4.34Å |
| 1626 | L | 38.5 | Very low | 42.2 | Very low | 118 Ų | 118 | 82.4 Ų | 82.4 | 62% | 0.618 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 116.7 | 177.8 | -157.4 | 77.3 | 0 | 0 | 0 | 109.7 | W1641 D1642 V1643 | L1626-W1641 HydrophobicContact CD2-CD2 4.1Å; L1626-W1641 HydrophobicContact CD2-CE3 3.52Å; L1626-W1641 HydrophobicContact CD2-CZ3 3.87Å; L1626-W1641 HydrophobicContact CG-CE3 3.74Å; L1626-W1641 HydrophobicContact CG-CZ3 4.32Å; L1626-D1642 WeakPolarHBondContact CA-O 3.34Å; L1626-V1643 HydrophobicContact CD1-CG2 4.08Å |
| 1627 | V | 36.1 | Very low | 41 | Very low | 37 Ų | 37 | 88 Ų | 88 | 22% | 0.224 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 150.8 | 179.6 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | F1609 Y1625 L1629 W1641 D1642 L1644 | F1609-V1627 HydrophobicContact CE1-CB 4.18Å; F1609-V1627 HydrophobicContact CE1-CG1 4.28Å; F1609-V1627 HydrophobicContact CE1-CG2 4Å; Y1625-V1627 PolarHBondContact O-N 3Å; V1627-L1629 HydrophobicContact CG1-CD2 4.32Å; V1627-W1641 VanDerWaalsContact O-CA 3.31Å; V1627-W1641 WeakPolarHBondContact O-CA 3.28Å; V1627-D1642 PolarHBondContact N-O 3.2Å; V1627-D1642 PolarHBondContact O-N 2.79Å; V1627-L1644 HydrophobicContact CG2-CB 3.8Å |
| 1628 | R | 36.6 | Very low | 39.9 | Very low | 133 Ų | 133 | 96.4 Ų | 96.4 | 50% | 0.502 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 105.3 | -179.1 | -166.5 | -173.7 | -171.5 | -164.1 | 6.5 | 110.4 | P1639 Q1640 W1641 | R1628-P1639 HydrophobicContact CG-CB 4.34Å; R1628-Q1640 CarbonylContact C-O 3.55Å; R1628-Q1640 WeakPolarHBondContact CA-O 3.46Å; R1628-W1641 HydrophobicContact CB-CD2 4.04Å; R1628-W1641 HydrophobicContact CB-CE3 3.64Å; R1628-W1641 HydrophobicContact CB-CH2 4.24Å; R1628-W1641 HydrophobicContact CB-CZ3 3.76Å; R1628-W1641 HydrophobicContact CG-CD2 3.89Å; R1628-W1641 HydrophobicContact CG-CE3 4.01Å; R1628-W1641 HydrophobicContact CG-CG 4.48Å; R1628-W1641 HydrophobicContact CG-CH2 4.31Å; R1628-W1641 HydrophobicContact CG-CZ2 4.15Å; R1628-W1641 HydrophobicContact CG-CZ3 4.24Å |
| 1629 | L | 33.4 | Very low | 38.8 | Very low | 78 Ų | 78 | 94 Ų | 94 | 41% | 0.408 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 136.4 | 180 | -55.2 | 177.3 | 0 | 0 | 0 | 109.7 | V1627 P1639 Q1640 D1642 | V1627-L1629 HydrophobicContact CG1-CD2 4.32Å; L1629-P1639 CarbonylContact O-C 3.59Å; L1629-P1639 WeakPolarHBondContact O-CA 3.19Å; L1629-P1639 VanDerWaalsContact O-CB 3.27Å; L1629-P1639 WeakPolarHBondContact O-CB 3.35Å; L1629-Q1640 PolarHBondContact N-O 3.05Å; L1629-Q1640 PolarHBondContact O-N 3.12Å; L1629-D1642 HydrophobicContact CD1-CB 4.21Å |
| 1630 | V | 33.7 | Very low | 37.6 | Very low | 111 Ų | 111 | 96.6 Ų | 96.6 | 67% | 0.673 | 52% | 0.517 | S | S | * | . | trans | -125.7 | 107.4 | -178.1 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | P1639 | V1630-P1639 HydrophobicContact CB-CB 4.36Å; V1630-P1639 HydrophobicContact CG1-CB 4.37Å; V1630-P1639 HydrophobicContact CG2-CB 3.89Å | ||
| 1631 | S | 33.6 | Very low | 36.9 | Very low | 66 Ų | 66 | 102.8 Ų | 102.8 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | trans | -69.9 | 130.8 | 174.4 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | S1633 | S1631-S1633 PolarHBondContact O-N 3.3Å; S1631-S1633 PolarHBondContact OG-OG 2.04Å | ||
| 1632 | G | 32.6 | Very low | 36.2 | Very low | 89 Ų | 89 | 100.6 Ų | 100.6 | 92% | 0.918 | 53% | 0.529 | S | S | * | . | trans | -76.3 | 3.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1633 | S | 30 | Very low | 35.8 | Very low | 64 Ų | 64 | 99.8 Ų | 99.8 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -82.7 | 147.3 | -177 | 62 | 0 | 0 | 0 | 0 | 113.2 | S1631 G1635 | S1631-S1633 PolarHBondContact O-N 3.3Å; S1631-S1633 PolarHBondContact OG-OG 2.04Å; S1633-G1635 PolarHBondContact O-N 3.34Å |
| 1634 | E | 29.3 | Very low | 35.6 | Very low | 192 Ų | 192 | 99.2 Ų | 99.2 | 90% | 0.897 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -51.5 | 97.3 | -164.7 | -61.9 | -176 | 133.4 | 0 | 0 | 116.1 | K1636 | E1634-K1636 PolarHBondContact O-N 3.18Š|
| 1635 | G | 32.3 | Very low | 35.6 | Very low | 81 Ų | 81 | 93.4 Ų | 93.4 | 84% | 0.835 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 68.5 | 12.8 | 142 | 0 | 0 | 0 | 0 | 0 | 118.9 | S1633 | S1633-G1635 PolarHBondContact O-N 3.34Š|
| 1636 | K | 33.7 | Very low | 36 | Very low | 190 Ų | 190 | 91.3 Ų | 91.3 | 83% | 0.826 | 49% | 0.493 | S | S | * | . | trans | -136.3 | -2.8 | 177.5 | -81.5 | -160.7 | 174.1 | -173.4 | 0 | 118 | E1634 | E1634-K1636 PolarHBondContact O-N 3.18Š| ||
| 1637 | H | 31.5 | Very low | 36.6 | Very low | 148 Ų | 148 | 85.8 Ų | 85.8 | 69% | 0.685 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -99.5 | 118.1 | 171.4 | -69.3 | -73.2 | 0 | 0 | 0 | 109.9 | ||
| 1638 | E | 32.2 | Very low | 37.1 | Very low | 184 Ų | 184 | 85.6 Ų | 85.6 | 86% | 0.86 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 138.4 | 170.7 | -65.8 | -169.1 | 140.3 | 0 | 0 | 109.4 | Q1640 | E1638-Q1640 PolarHBondContact O-N 3.43Š|
| 1639 | P | 32.8 | Very low | 37.7 | Very low | 39 Ų | 39 | 79.6 Ų | 79.6 | 25% | 0.253 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 129.8 | -173.7 | 27.8 | -36.9 | 0 | 0 | 0 | 111.8 | R1628 L1629 V1630 | R1628-P1639 HydrophobicContact CG-CB 4.34Å; L1629-P1639 CarbonylContact O-C 3.59Å; L1629-P1639 WeakPolarHBondContact O-CA 3.19Å; L1629-P1639 VanDerWaalsContact O-CB 3.27Å; L1629-P1639 WeakPolarHBondContact O-CB 3.35Å; V1630-P1639 HydrophobicContact CB-CB 4.36Å; V1630-P1639 HydrophobicContact CG1-CB 4.37Å; V1630-P1639 HydrophobicContact CG2-CB 3.89Å |
| 1640 | Q | 33 | Very low | 38.7 | Very low | 142 Ų | 142 | 78.4 Ų | 78.4 | 66% | 0.664 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 152 | -170.5 | -160.4 | 165.3 | -4.3 | 0 | 0 | 111 | R1628 L1629 E1638 | R1628-Q1640 CarbonylContact C-O 3.55Å; R1628-Q1640 WeakPolarHBondContact CA-O 3.46Å; L1629-Q1640 PolarHBondContact N-O 3.05Å; L1629-Q1640 PolarHBondContact O-N 3.12Å; E1638-Q1640 PolarHBondContact O-N 3.43Å |
| 1641 | W | 37.7 | Very low | 39.4 | Very low | 149 Ų | 149 | 76.6 Ų | 76.6 | 56% | 0.564 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 143.9 | 175.9 | -61.6 | 87.5 | 0 | 0 | 0 | 110.2 | L1626 V1627 R1628 | L1626-W1641 HydrophobicContact CD2-CD2 4.1Å; L1626-W1641 HydrophobicContact CD2-CE3 3.52Å; L1626-W1641 HydrophobicContact CD2-CZ3 3.87Å; L1626-W1641 HydrophobicContact CG-CE3 3.74Å; L1626-W1641 HydrophobicContact CG-CZ3 4.32Å; V1627-W1641 VanDerWaalsContact O-CA 3.31Å; V1627-W1641 WeakPolarHBondContact O-CA 3.28Å; R1628-W1641 HydrophobicContact CB-CD2 4.04Å; R1628-W1641 HydrophobicContact CB-CE3 3.64Å; R1628-W1641 HydrophobicContact CB-CH2 4.24Å; R1628-W1641 HydrophobicContact CB-CZ3 3.76Å; R1628-W1641 HydrophobicContact CG-CD2 3.89Å; R1628-W1641 HydrophobicContact CG-CE3 4.01Å; R1628-W1641 HydrophobicContact CG-CG 4.48Å; R1628-W1641 HydrophobicContact CG-CH2 4.31Å; R1628-W1641 HydrophobicContact CG-CZ2 4.15Å; R1628-W1641 HydrophobicContact CG-CZ3 4.24Å |
| 1642 | D | 40.3 | Very low | 40 | Very low | 25 Ų | 25 | 75.8 Ų | 75.8 | 13% | 0.134 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 169.6 | 179.9 | -160.9 | -10.2 | 0 | 0 | 0 | 109.4 | G1611 L1626 V1627 L1629 | G1611-D1642 WeakPolarHBondContact CA-OD1 3.04Å; G1611-D1642 PolarHBondContact N-OD1 3.38Å; G1611-D1642 VanDerWaalsContact N-OD1 3.09Å; L1626-D1642 WeakPolarHBondContact CA-O 3.34Å; V1627-D1642 PolarHBondContact N-O 3.2Å; V1627-D1642 PolarHBondContact O-N 2.79Å; L1629-D1642 HydrophobicContact CD1-CB 4.21Å |
| 1643 | V | 43.5 | Very low | 40.6 | Very low | 16 Ų | 16 | 76 Ų | 76 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.6 | 177.3 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | G1610 G1611 R1624 Y1625 L1626 | G1610-V1643 PolarHBondContact N-O 2.9Å; G1611-V1643 WeakPolarHBondContact O-CB 3.07Å; G1611-V1643 VanDerWaalsContact O-CG2 3.22Å; G1611-V1643 WeakPolarHBondContact O-CG2 3.17Å; G1611-V1643 PolarHBondContact O-N 3.39Å; R1624-V1643 HydrophobicContact CB-CG1 3.59Å; R1624-V1643 HydrophobicContact CG-CG1 3.77Å; Y1625-V1643 WeakPolarHBondContact O-CA 3.32Å; L1626-V1643 HydrophobicContact CD1-CG2 4.08Å |
| 1644 | L | 40.9 | Very low | 41.3 | Very low | 38 Ų | 38 | 79.2 Ų | 79.2 | 20% | 0.199 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 121 | 163 | -175 | 69.1 | 0 | 0 | 0 | 108.8 | F1607 F1609 Y1625 V1627 | F1607-L1644 HydrophobicContact CB-CD1 4.19Å; F1607-L1644 HydrophobicContact CD1-CD2 3.8Å; F1607-L1644 HydrophobicContact CD1-CG 4.03Å; F1607-L1644 HydrophobicContact CE1-CD2 4.46Å; F1609-L1644 HydrophobicContact CD1-CB 4.31Å; F1609-L1644 HydrophobicContact CD1-CD1 4.19Å; F1609-L1644 HydrophobicContact CD2-CD1 3.86Å; F1609-L1644 HydrophobicContact CE1-CB 4.14Å; F1609-L1644 HydrophobicContact CE1-CD1 4.15Å; F1609-L1644 HydrophobicContact CE2-CD1 3.81Å; F1609-L1644 HydrophobicContact CG-CD1 4.05Å; F1609-L1644 HydrophobicContact CZ-CD1 3.96Å; Y1625-L1644 HydrophobicContact CD2-CD2 4.43Å; Y1625-L1644 PolarHBondContact N-O 2.03Å; Y1625-L1644 PolarHBondContact O-N 3.44Å; V1627-L1644 HydrophobicContact CG2-CB 3.8Å |
| 1645 | C | 44.7 | Very low | 41.7 | Very low | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133 | -179.4 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | F1607 L1608 C1614 V1622 E1623 Y1647 | F1607-C1645 CarbonylContact C-O 3.58Å; F1607-C1645 VanDerWaalsContact CA-O 3.28Å; F1607-C1645 WeakPolarHBondContact CA-O 3.23Å; L1608-C1645 PolarHBondContact N-O 3.35Å; L1608-C1645 WeakPolarHBondContact O-CA 3.4Å; L1608-C1645 VanDerWaalsContact O-CB 3.31Å; L1608-C1645 WeakPolarHBondContact O-CB 3.37Å; L1608-C1645 PolarHBondContact O-N 2.97Å; C1614-C1645 WeakPolarHBondContact CA-SG 3.3Å; C1614-C1645 HydrophobicContact CB-CB 3.68Å; C1614-C1645 WeakPolarHBondContact CB-SG 3.08Å; C1614-C1645 WeakPolarHBondContact SG-CB 3.05Å; C1614-C1645 CovalentContact SG-SG 2.02Å; C1614-C1645 PolarHBondContact SG-SG 2.66Å; V1622-C1645 HydrophobicContact CG1-CB 3.95Å; E1623-C1645 CarbonylContact O-C 3.47Å; E1623-C1645 VanDerWaalsContact O-CA 3.32Å; E1623-C1645 WeakPolarHBondContact O-CA 3.3Å; C1645-Y1647 HydrophobicContact CB-CE2 3.6Å |
| 1646 | H | 49.5 | Very low | 41.9 | Very low | 18 Ų | 18 | 78.3 Ų | 78.3 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.8 | -174.2 | 162.4 | -148.2 | 0 | 0 | 0 | 109.1 | D1605 F1606 F1607 V1622 E1623 Y1625 L1648 | D1605-H1646 IonicContact OD1-CD2 2.66Å; D1605-H1646 PolarHBondContact OD1-CD2 2.83Å; D1605-H1646 VanDerWaalsContact OD1-CD2 3.31Å; D1605-H1646 IonicContact OD1-NE2 3.16Å; D1605-H1646 PolarHBondContact OD1-NE2 2.85Å; D1605-H1646 IonicContact OD2-NE2 2.94Å; F1606-H1646 WeakPolarHBondContact O-CA 3.34Å; F1607-H1646 HydrophobicContact CD1-CB 3.75Å; F1607-H1646 HydrophobicContact CE1-CB 3.64Å; F1607-H1646 AromaticContact CE1-CG 3.66Å; F1607-H1646 AromaticContact CE2-CD2 3.62Å; F1607-H1646 HydrophobicContact CG-CB 4.34Å; F1607-H1646 HydrophobicContact CZ-CB 4.11Å; F1607-H1646 AromaticContact CZ-CD2 3.53Å; F1607-H1646 AromaticContact CZ-CG 3.61Å; F1607-H1646 AromaticContact CZ-ND1 3.91Å; F1607-H1646 AromaticContact CZ-NE2 3.82Å; V1622-H1646 CarbonylContact C-O 3.54Å; V1622-H1646 VanDerWaalsContact CA-O 3.31Å; V1622-H1646 WeakPolarHBondContact CA-O 3.48Å; E1623-H1646 HydrophobicContact CB-CB 4.15Å; E1623-H1646 PolarHBondContact N-O 3.28Å; E1623-H1646 PolarHBondContact O-N 3.35Å; Y1625-H1646 HydrophobicContact CD2-CB 4.4Å; Y1625-H1646 HydrophobicContact CE2-CB 3.59Å; Y1625-H1646 AromaticContact CE2-ND1 3.78Å; Y1625-H1646 AromaticContact CZ-ND1 3.78Å; Y1625-H1646 PolarHBondContact OH-ND1 3Å; H1646-L1648 WeakPolarHBondContact NE2-CD2 3.42Å |
| 1647 | Y | 50.9 | Low | 42.3 | Very low | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.1 | -166.1 | -62.4 | -103.1 | 0 | 0 | 0 | 109.6 | F1606 L1608 L1615 I1617 H1621 V1622 C1645 | F1606-Y1647 AromaticContact CD2-CD2 3.79Å; F1606-Y1647 HydrophobicContact CD2-CD2 3.79Å; F1606-Y1647 HydrophobicContact CD2-CG 4.17Å; F1606-Y1647 HydrophobicContact CE2-CD1 4.21Å; F1606-Y1647 AromaticContact CE2-CD2 3.46Å; F1606-Y1647 HydrophobicContact CE2-CD2 3.46Å; F1606-Y1647 VanDerWaalsContact CE2-CD2 3.46Å; F1606-Y1647 HydrophobicContact CE2-CE2 4.11Å; F1606-Y1647 AromaticContact CE2-CG 3.54Å; F1606-Y1647 HydrophobicContact CE2-CG 3.54Å; F1606-Y1647 HydrophobicContact CZ-CD1 4.28Å; F1606-Y1647 HydrophobicContact CZ-CD2 4.21Å; F1606-Y1647 AromaticContact CZ-CG 3.8Å; F1606-Y1647 HydrophobicContact CZ-CG 3.8Å; F1606-Y1647 PolarHBondContact N-O 2.93Å; F1606-Y1647 PolarHBondContact O-N 2.62Å; L1608-Y1647 HydrophobicContact CB-CE2 4.02Å; L1608-Y1647 HydrophobicContact CD1-CE2 3.93Å; L1608-Y1647 HydrophobicContact CG-CE2 4.21Å; L1615-Y1647 HydrophobicContact CB-CE1 4.29Å; L1615-Y1647 WeakPolarHBondContact CB-OH 3.35Å; L1615-Y1647 PolarHBondContact N-OH 2.04Å; L1615-Y1647 VanDerWaalsContact N-OH 3.15Å; L1615-Y1647 WeakPolarHBondContact O-CE1 3.31Å; I1617-Y1647 HydrophobicContact CB-CD1 4.06Å; I1617-Y1647 HydrophobicContact CB-CE1 4.24Å; I1617-Y1647 HydrophobicContact CD1-CD1 3.82Å; I1617-Y1647 HydrophobicContact CD1-CE1 3.71Å; I1617-Y1647 HydrophobicContact CG1-CD1 4.15Å; I1617-Y1647 HydrophobicContact CG1-CE1 3.93Å; H1621-Y1647 WeakPolarHBondContact O-CA 3.4Å; V1622-Y1647 HydrophobicContact CB-CD1 4.27Å; V1622-Y1647 HydrophobicContact CB-CE1 4.29Å; V1622-Y1647 HydrophobicContact CG1-CD1 3.82Å; V1622-Y1647 HydrophobicContact CG1-CD2 4.21Å; V1622-Y1647 HydrophobicContact CG1-CE1 3.63Å; V1622-Y1647 HydrophobicContact CG1-CE2 4.02Å; V1622-Y1647 HydrophobicContact CG1-CG 4.11Å; V1622-Y1647 HydrophobicContact CG2-CD1 3.49Å; V1622-Y1647 VanDerWaalsContact CG2-CD1 3.49Å; V1622-Y1647 HydrophobicContact CG2-CE1 3.58Å; V1622-Y1647 HydrophobicContact CG2-CG 4.36Å; C1645-Y1647 HydrophobicContact CB-CE2 3.6Å |
| 1648 | L | 46 | Very low | 43 | Very low | 33 Ų | 33 | 72 Ų | 72 | 17% | 0.173 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.4 | -174.9 | -66.8 | 158.9 | 0 | 0 | 0 | 107.9 | T1620 H1621 E1623 H1646 W1652 | T1620-L1648 CarbonylContact C-O 3.55Å; T1620-L1648 WeakPolarHBondContact CA-O 3.45Å; T1620-L1648 WeakPolarHBondContact CB-O 3.47Å; H1621-L1648 PolarHBondContact N-O 3.5Å; H1621-L1648 PolarHBondContact O-N 3.16Å; E1623-L1648 HydrophobicContact CG-CD1 4.21Å; H1646-L1648 WeakPolarHBondContact NE2-CD2 3.42Å; L1648-W1652 HydrophobicContact CB-CE3 4.33Å; L1648-W1652 HydrophobicContact CD2-CE3 3.74Å; L1648-W1652 HydrophobicContact CD2-CZ3 3.55Å |
| 1649 | P | 50.3 | Low | 43.9 | Very low | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.045 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 141.4 | 178.8 | -29.6 | 35.9 | 0 | 0 | 0 | 114.3 | D1619 S1651 W1652 | D1619-P1649 CarbonylContact O-C 3.49Å; D1619-P1649 WeakPolarHBondContact O-CA 3.06Å; P1649-S1651 WeakPolarHBondContact CB-OG 3.24Å; P1649-S1651 PolarHBondContact O-N 2.72Å; P1649-W1652 HydrophobicContact CB-CD2 4.35Å; P1649-W1652 HydrophobicContact CB-CG 4.17Å; P1649-W1652 HydrophobicContact CG-CD2 4.21Å; P1649-W1652 HydrophobicContact CG-CZ2 4Å; P1649-W1652 WeakPolarHBondContact O-CA 3.36Å; P1649-W1652 WeakPolarHBondContact O-CB 3.29Å; P1649-W1652 PolarHBondContact O-N 2.81Å |
| 1650 | I | 54.8 | Low | 45 | Very low | 52 Ų | 52 | 65.7 Ų | 65.7 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -68.7 | -22 | 178.4 | -95.7 | 166.3 | 0 | 0 | 0 | 112.6 | D1619 T1620 W1652 M1653 N1654 | D1619-I1650 PolarHBondContact O-N 2.77Å; T1620-I1650 WeakPolarHBondContact O-CD1 3.48Å; I1650-W1652 PolarHBondContact O-N 2.04Å; I1650-M1653 PolarHBondContact O-N 2.83Å; I1650-N1654 WeakPolarHBondContact CG2-ND2 3.11Å; I1650-N1654 PolarHBondContact O-N 2.81Å |
| 1651 | S | 47.2 | Very low | 46.1 | Very low | 74 Ų | 74 | 62 Ų | 62 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -59.7 | -20.5 | 164.9 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | P1649 M1653 | P1649-S1651 WeakPolarHBondContact CB-OG 3.24Å; P1649-S1651 PolarHBondContact O-N 2.72Å; S1651-M1653 VanDerWaalsContact C-N 3.28Å; S1651-M1653 PolarHBondContact O-N 2.74Å |
| 1652 | W | 46.4 | Very low | 46.9 | Very low | 49 Ų | 49 | 55.6 Ų | 55.6 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -89.6 | 24 | 171.3 | -50.5 | 1.8 | 0 | 0 | 0 | 112.5 | D1605 L1648 P1649 I1650 I1657 P1775 Y1779 | D1605-W1652 HydrophobicContact CB-CH2 4.36Å; L1648-W1652 HydrophobicContact CB-CE3 4.33Å; L1648-W1652 HydrophobicContact CD2-CE3 3.74Å; L1648-W1652 HydrophobicContact CD2-CZ3 3.55Å; P1649-W1652 HydrophobicContact CB-CD2 4.35Å; P1649-W1652 HydrophobicContact CB-CG 4.17Å; P1649-W1652 HydrophobicContact CG-CD2 4.21Å; P1649-W1652 HydrophobicContact CG-CZ2 4Å; P1649-W1652 WeakPolarHBondContact O-CA 3.36Å; P1649-W1652 WeakPolarHBondContact O-CB 3.29Å; P1649-W1652 PolarHBondContact O-N 2.81Å; I1650-W1652 PolarHBondContact O-N 2.04Å; W1652-I1657 HydrophobicContact CB-CD1 4.04Å; W1652-I1657 WeakPolarHBondContact O-CD1 3.34Å; W1652-P1775 HydrophobicContact CZ2-CB 4.43Å; W1652-Y1779 AromaticContact CH2-CE1 3.49Å; W1652-Y1779 HydrophobicContact CH2-CE1 3.49Å; W1652-Y1779 VanDerWaalsContact CH2-CE1 3.49Å; W1652-Y1779 AromaticContact CH2-CZ 3.85Å; W1652-Y1779 WeakPolarHBondContact CH2-OH 3.45Å; W1652-Y1779 HydrophobicContact CZ2-CE1 4.08Å; W1652-Y1779 AromaticContact CZ2-CZ 3.97Å; W1652-Y1779 WeakPolarHBondContact CZ2-OH 3.46Å; W1652-Y1779 AromaticContact CZ3-CE1 3.85Å; W1652-Y1779 HydrophobicContact CZ3-CE1 3.85Å |
| 1653 | M | 45.5 | Very low | 47.6 | Very low | 94 Ų | 94 | 57.2 Ų | 57.2 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.2 | -37.2 | 171.9 | -69.9 | -151.8 | -41.5 | 0 | 0 | 115.9 | H1621 I1650 S1651 D1655 | H1621-M1653 HydrophobicContact CB-CE 3.77Å; H1621-M1653 HydrophobicContact CB-CG 4.22Å; H1621-M1653 HydrophobicContact CB-SD 3.72Å; H1621-M1653 WeakPolarHBondContact ND1-CE 3.39Å; H1621-M1653 PolarHBondContact ND1-SD 3.47Å; H1621-M1653 VanDerWaalsContact ND1-SD 3.4Å; I1650-M1653 PolarHBondContact O-N 2.83Å; S1651-M1653 VanDerWaalsContact C-N 3.28Å; S1651-M1653 PolarHBondContact O-N 2.74Å; M1653-D1655 CarbonylContact C-O 3.59Å |
| 1654 | N | 45.9 | Very low | 48 | Very low | 130 Ų | 130 | 56.4 Ų | 56.4 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -77.3 | -37.1 | -171.3 | -84.6 | 0.1 | 0 | 0 | 0 | 112.9 | I1650 | I1650-N1654 WeakPolarHBondContact CG2-ND2 3.11Å; I1650-N1654 PolarHBondContact O-N 2.81Å |
| 1655 | D | 35.7 | Very low | 48.5 | Very low | 120 Ų | 120 | 55.6 Ų | 55.6 | 64% | 0.642 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -73.2 | 137.1 | 159.9 | -63.4 | -49.8 | 0 | 0 | 0 | 107.6 | M1653 I1657 | M1653-D1655 CarbonylContact C-O 3.59Å; D1655-I1657 VanDerWaalsContact C-N 3.31Å; D1655-I1657 PolarHBondContact O-N 2.94Å |
| 1656 | T | 38.4 | Very low | 48.8 | Very low | 134 Ų | 134 | 57.8 Ų | 57.8 | 82% | 0.822 | 31% | 0.313 | S | S | * | . | trans | -63.6 | 95.7 | 167.2 | 46.8 | 0 | 0 | 0 | 0 | 107.7 | E1658 | T1656-E1658 PolarHBondContact O-N 3.09Š| ||
| 1657 | I | 41.7 | Very low | 48.5 | Very low | 63 Ų | 63 | 60.7 Ų | 60.7 | 32% | 0.323 | 33% | 0.333 | S | S | . | . | trans | -61.9 | 110 | 179.4 | -47 | 161.6 | 0 | 0 | 0 | 107.7 | W1652 D1655 W1659 | W1652-I1657 HydrophobicContact CB-CD1 4.04Å; W1652-I1657 WeakPolarHBondContact O-CD1 3.34Å; D1655-I1657 VanDerWaalsContact C-N 3.31Å; D1655-I1657 PolarHBondContact O-N 2.94Å; I1657-W1659 PolarHBondContact O-N 3.27Å | ||
| 1658 | E | 46 | Very low | 48.2 | Very low | 143 Ų | 143 | 61.3 Ų | 61.3 | 67% | 0.668 | 34% | 0.336 | S | S | * | . | trans | -67.4 | 89.2 | 156.8 | -66.9 | -165.6 | 152.2 | 0 | 0 | 107.1 | T1656 P1660 S1772 | T1656-E1658 PolarHBondContact O-N 3.09Å; E1658-P1660 VanDerWaalsContact O-N 3.11Å; E1658-S1772 PolarHBondContact O-OG 2.84Å | ||
| 1659 | W | 51.5 | Low | 48 | Very low | 80 Ų | 80 | 62.1 Ų | 62.1 | 30% | 0.303 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 117.7 | 177.2 | -78.4 | 99.8 | 0 | 0 | 0 | 108.4 | I1657 A1661 F1716 | I1657-W1659 PolarHBondContact O-N 3.27Å; W1659-A1661 PolarHBondContact O-N 2.76Å; W1659-F1716 HydrophobicContact CB-CE2 4.39Å; W1659-F1716 AromaticContact CD1-CE2 3.91Å; W1659-F1716 AromaticContact CD2-CE2 3.65Å; W1659-F1716 HydrophobicContact CD2-CE2 3.65Å; W1659-F1716 AromaticContact CD2-CZ 3.96Å; W1659-F1716 HydrophobicContact CD2-CZ 3.96Å; W1659-F1716 AromaticContact CE2-CE2 3.73Å; W1659-F1716 HydrophobicContact CE3-CE2 4.19Å; W1659-F1716 HydrophobicContact CE3-CZ 4.01Å; W1659-F1716 AromaticContact CG-CE2 3.76Å; W1659-F1716 HydrophobicContact CG-CE2 3.76Å; W1659-F1716 HydrophobicContact CG-CZ 4.39Å; W1659-F1716 HydrophobicContact CZ2-CE2 4.29Å; W1659-F1716 HydrophobicContact CZ3-CZ 4.31Å; W1659-F1716 AromaticContact NE1-CE2 3.9Å |
| 1660 | P | 54.7 | Low | 47.3 | Very low | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.065 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 129 | -163.4 | 22.1 | -34.3 | 0 | 0 | 0 | 111.4 | E1658 G1662 W1774 | E1658-P1660 VanDerWaalsContact O-N 3.11Å; P1660-G1662 PolarHBondContact O-N 2.95Å; P1660-W1774 HydrophobicContact CG-CD2 3.9Å; P1660-W1774 HydrophobicContact CG-CG 4.05Å; P1660-W1774 HydrophobicContact CG-CZ2 3.73Å |
| 1661 | A | 56 | Low | 46.4 | Very low | 66 Ų | 66 | 73.1 Ų | 73.1 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -49.9 | 120.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1659 | W1659-A1661 PolarHBondContact O-N 2.76Š|
| 1662 | G | 55.9 | Low | 46.1 | Very low | 14 Ų | 14 | 69.8 Ų | 69.8 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 173 | 169.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | P1660 H1757 | P1660-G1662 PolarHBondContact O-N 2.95Å; G1662-H1757 PolarHBondContact O-ND1 3.36Å |
| 1663 | E | 53.3 | Low | 45.6 | Very low | 58 Ų | 58 | 69.7 Ų | 69.7 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | trans | -114.5 | 99.4 | -179.2 | -77.8 | 174.5 | -114.1 | 0 | 0 | 111.4 | H1757 M1784 N1785 | E1663-H1757 WeakPolarHBondContact CA-O 3.08Å; E1663-M1784 HydrophobicContact CB-CB 4.42Å; E1663-M1784 PolarHBondContact O-N 3.44Å; E1663-N1785 PolarHBondContact OE1-ND2 2.98Å; E1663-N1785 PolarHBondContact OE2-ND2 3.17Å | ||
| 1664 | Y | 52.6 | Low | 45.1 | Very low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 160.7 | -174.8 | 58.5 | -83.3 | 0 | 0 | 0 | 112 | F1716 V1756 H1757 W1774 I1781 F1782 P1789 | Y1664-F1716 HydrophobicContact CD2-CE1 4.32Å; Y1664-F1716 AromaticContact CE2-CE1 3.85Å; Y1664-F1716 HydrophobicContact CE2-CE1 3.85Å; Y1664-F1716 AromaticContact CE2-CZ 3.67Å; Y1664-F1716 HydrophobicContact CE2-CZ 3.67Å; Y1664-V1756 WeakPolarHBondContact O-CA 3.3Å; Y1664-H1757 HydrophobicContact CD1-CB 4.23Å; Y1664-H1757 HydrophobicContact CE1-CB 4Å; Y1664-H1757 AromaticContact CE1-CG 3.99Å; Y1664-H1757 AromaticContact CE1-ND1 3.8Å; Y1664-H1757 HydrophobicContact CE2-CB 4.37Å; Y1664-H1757 PolarHBondContact O-N 3.12Å; Y1664-W1774 HydrophobicContact CE1-CZ2 4.2Å; Y1664-W1774 HydrophobicContact CE2-CH2 4.09Å; Y1664-I1781 HydrophobicContact CD2-CB 4.35Å; Y1664-I1781 HydrophobicContact CD2-CD1 3.97Å; Y1664-I1781 HydrophobicContact CD2-CG2 4.34Å; Y1664-I1781 HydrophobicContact CG-CD1 3.92Å; Y1664-F1782 CarbonylContact C-O 3.41Å; Y1664-F1782 WeakPolarHBondContact CA-O 3.36Å; Y1664-P1789 HydrophobicContact CD1-CG 3.59Å; Y1664-P1789 HydrophobicContact CE1-CG 4.13Å; Y1664-P1789 HydrophobicContact CG-CG 4.23Å |
| 1665 | M | 51.3 | Low | 44.6 | Very low | 20 Ų | 20 | 71.3 Ų | 71.3 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.7 | -170.8 | -45.4 | 179.4 | -97.9 | 0 | 0 | 110.5 | F1721 F1754 C1755 V1756 F1782 M1784 | M1665-F1721 HydrophobicContact SD-CE2 4.32Å; M1665-F1721 HydrophobicContact SD-CZ 3.8Å; M1665-F1754 HydrophobicContact CB-CB 4.17Å; M1665-F1754 HydrophobicContact CB-CD1 3.93Å; M1665-F1754 HydrophobicContact CB-CG 4.32Å; M1665-F1754 HydrophobicContact SD-CG 4.48Å; M1665-C1755 CarbonylContact C-O 3.56Å; M1665-C1755 VanDerWaalsContact CA-O 3.26Å; M1665-C1755 WeakPolarHBondContact CA-O 3.36Å; M1665-V1756 HydrophobicContact CB-CG2 4.34Å; M1665-V1756 HydrophobicContact CG-CB 4.47Å; M1665-V1756 HydrophobicContact CG-CG1 4.15Å; M1665-V1756 HydrophobicContact CG-CG2 3.89Å; M1665-V1756 HydrophobicContact SD-CG2 4.4Å; M1665-F1782 HydrophobicContact CB-CB 4.23Å; M1665-F1782 WeakPolarHBondContact CB-O 3.38Å; M1665-F1782 HydrophobicContact CE-CB 3.8Å; M1665-F1782 WeakPolarHBondContact CG-O 3.25Å; M1665-F1782 PolarHBondContact N-O 2.83Å; M1665-F1782 PolarHBondContact O-N 2.85Å; M1665-F1782 VanDerWaalsContact O-N 3.11Å; M1665-M1784 HydrophobicContact CE-CG 3.79Å; M1665-M1784 HydrophobicContact CE-SD 3.52Å; M1665-M1784 VanDerWaalsContact CE-SD 3.52Å; M1665-M1784 HydrophobicContact CG-CG 3.76Å; M1665-M1784 HydrophobicContact CG-SD 4.3Å; M1665-M1784 HydrophobicContact SD-CG 3.75Å; M1665-M1784 HydrophobicContact SD-SD 3.46Å |
| 1666 | L | 50.6 | Low | 44.8 | Very low | 47 Ų | 47 | 69.6 Ų | 69.6 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.6 | 169.2 | -58.9 | 174 | 0 | 0 | 0 | 108.9 | I1668 F1716 F1754 C1755 I1781 | L1666-I1668 PolarHBondContact O-N 3.34Å; L1666-F1716 HydrophobicContact CD1-CD1 4.3Å; L1666-F1716 HydrophobicContact CD1-CE1 3.61Å; L1666-F1716 HydrophobicContact CD1-CZ 3.89Å; L1666-F1716 HydrophobicContact CG-CE1 3.89Å; L1666-F1754 CarbonylContact O-C 3.53Å; L1666-F1754 VanDerWaalsContact O-CA 3.29Å; L1666-F1754 WeakPolarHBondContact O-CA 3.06Å; L1666-C1755 HydrophobicContact CB-CB 4.35Å; L1666-C1755 PolarHBondContact N-O 3.03Å; L1666-C1755 PolarHBondContact O-N 2.92Å; L1666-I1781 HydrophobicContact CD2-CG2 3.92Å |
| 1667 | P | 44.5 | Very low | 44.8 | Very low | 79 Ų | 79 | 67.1 Ų | 67.1 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 121.8 | -177.1 | 29.1 | -34.5 | 0 | 0 | 0 | 111.7 | G1669 F1754 F1782 | P1667-G1669 PolarHBondContact O-N 2.99Å; P1667-F1754 HydrophobicContact CB-CD1 4.31Å; P1667-F1754 HydrophobicContact CB-CE1 4.19Å; P1667-F1782 HydrophobicContact CB-CE2 4.09Å; P1667-F1782 HydrophobicContact CG-CE2 4.03Å |
| 1668 | I | 44.4 | Very low | 44.6 | Very low | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 96.6 | 171.7 | -51.6 | 171 | 0 | 0 | 0 | 107.5 | L1666 Y1710 R1718 E1753 F1754 | L1666-I1668 PolarHBondContact O-N 3.34Å; I1668-Y1710 HydrophobicContact CB-CE1 4.5Å; I1668-Y1710 HydrophobicContact CD1-CD1 3.91Å; I1668-Y1710 HydrophobicContact CD1-CE1 3.79Å; I1668-Y1710 HydrophobicContact CG1-CD1 4.28Å; I1668-Y1710 HydrophobicContact CG1-CE1 3.79Å; I1668-Y1710 HydrophobicContact CG2-CD1 3.85Å; I1668-Y1710 HydrophobicContact CG2-CE1 3.89Å; I1668-R1718 HydrophobicContact CD1-CG 3.72Å; I1668-E1753 HydrophobicContact CB-CB 4.13Å; I1668-E1753 WeakPolarHBondContact CB-O 3.4Å; I1668-E1753 HydrophobicContact CD1-CB 4.19Å; I1668-E1753 PolarHBondContact N-O 3.21Å; I1668-F1754 VanDerWaalsContact CD1-C 3.41Å |
| 1669 | G | 40.9 | Very low | 44 | Very low | 50 Ų | 50 | 66.8 Ų | 66.8 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | trans | -62.4 | -162.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1667 R1671 S1672 | P1667-G1669 PolarHBondContact O-N 2.99Å; G1669-R1671 PolarHBondContact O-N 3.19Å; G1669-S1672 PolarHBondContact O-N 2.69Å; G1669-S1672 PolarHBondContact O-OG 2.74Å | ||
| 1670 | R | 36.3 | Very low | 43.8 | Very low | 225 Ų | 225 | 65.5 Ų | 65.5 | 85% | 0.849 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -54.6 | -13.1 | -175.8 | -90.8 | -176.1 | 173.6 | 159.7 | 1.6 | 116 | S1672 G1673 | R1670-S1672 PolarHBondContact O-N 3.17Å; R1670-S1672 VanDerWaalsContact O-N 3.14Å; R1670-G1673 PolarHBondContact O-N 2.72Å |
| 1671 | R | 35.7 | Very low | 43 | Very low | 66 Ų | 66 | 68.6 Ų | 68.6 | 25% | 0.249 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -54.3 | -20.5 | 167.9 | -78.3 | -165.4 | -174.6 | 156.4 | 7 | 114.7 | E1623 R1624 Y1625 G1669 G1673 S1708 | E1623-R1671 VanDerWaalsContact CD-NH2 3.26Å; E1623-R1671 IonicContact OE1-CZ 3.26Å; E1623-R1671 IonicContact OE1-NH1 2.69Å; E1623-R1671 PolarHBondContact OE1-NH1 2.8Å; E1623-R1671 IonicContact OE1-NH2 3.27Å; E1623-R1671 IonicContact OE2-CZ 2.74Å; E1623-R1671 IonicContact OE2-NH1 3.44Å; E1623-R1671 PolarHBondContact OE2-NH1 2.9Å; E1623-R1671 IonicContact OE2-NH2 2.99Å; E1623-R1671 PolarHBondContact OE2-NH2 2.85Å; R1624-R1671 PolarHBondContact O-NE 2.82Å; R1624-R1671 PolarHBondContact O-NH2 3.49Å; Y1625-R1671 HydrophobicContact CD1-CG 4.34Å; G1669-R1671 PolarHBondContact O-N 3.19Å; R1671-G1673 VanDerWaalsContact C-N 3.27Å; R1671-G1673 PolarHBondContact O-N 3.49Å; R1671-S1708 WeakPolarHBondContact O-CB 3.49Å; R1671-S1708 PolarHBondContact O-OG 3.5Å |
| 1672 | S | 40.2 | Very low | 42.6 | Very low | 4 Ų | 4 | 69.7 Ų | 69.7 | 3% | 0.028 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -72 | -15.4 | 172.5 | 47.4 | 0 | 0 | 0 | 0 | 114.3 | G1669 R1670 L1674 G1707 E1753 | G1669-S1672 PolarHBondContact O-N 2.69Å; G1669-S1672 PolarHBondContact O-OG 2.74Å; R1670-S1672 PolarHBondContact O-N 3.17Å; R1670-S1672 VanDerWaalsContact O-N 3.14Å; S1672-L1674 VanDerWaalsContact C-N 3.27Å; S1672-G1707 WeakPolarHBondContact O-CA 3.47Å; S1672-E1753 VanDerWaalsContact CB-OE2 3.32Å; S1672-E1753 WeakPolarHBondContact CB-OE2 3.28Å |
| 1673 | G | 35.8 | Very low | 42 | Very low | 47 Ų | 47 | 71.5 Ų | 71.5 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | trans | 78.3 | 7.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1670 R1671 S1708 | R1670-G1673 PolarHBondContact O-N 2.72Å; R1671-G1673 VanDerWaalsContact C-N 3.27Å; R1671-G1673 PolarHBondContact O-N 3.49Å; G1673-S1708 PolarHBondContact N-OG 2.7Å | ||
| 1674 | L | 34.8 | Very low | 41.3 | Very low | 35 Ų | 35 | 71.1 Ų | 71.1 | 18% | 0.183 | 40% | 0.396 | C | S | . | . | trans | -69.4 | 133.4 | -168.9 | -143.7 | 70.6 | 0 | 0 | 0 | 113.6 | S1672 T1751 E1753 | S1672-L1674 VanDerWaalsContact C-N 3.27Å; L1674-T1751 WeakPolarHBondContact CD2-O 3.36Å; L1674-E1753 HydrophobicContact CD1-CG 4.19Å; L1674-E1753 WeakPolarHBondContact CD1-OE1 3.34Å; L1674-E1753 HydrophobicContact CD2-CG 4.03Å | ||
| 1675 | R | 35.8 | Very low | 40.8 | Very low | 222 Ų | 222 | 78 Ų | 78 | 84% | 0.838 | 43% | 0.433 | S | S | * | . | trans | -85.7 | 113.2 | 157.2 | -73.2 | -172.5 | 176.3 | -163.4 | 0 | 108.2 | S1677 T1751 | R1675-S1677 PolarHBondContact O-N 2.91Å; R1675-T1751 PolarHBondContact O-OG1 3Å | ||
| 1676 | T | 40.8 | Very low | 40.2 | Very low | 85 Ų | 85 | 83.6 Ų | 83.6 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -68.6 | -12.6 | -171.8 | 47.8 | 0 | 0 | 0 | 0 | 115 | V1750 T1751 | T1676-V1750 VanDerWaalsContact O-CA 3.22Å; T1676-V1750 WeakPolarHBondContact O-CA 3.45Å; T1676-V1750 WeakPolarHBondContact O-CG1 3.46Å; T1676-T1751 PolarHBondContact O-N 3.32Å; T1676-T1751 VanDerWaalsContact O-N 3.08Å |
| 1677 | S | 37.5 | Very low | 39.3 | Very low | 81 Ų | 81 | 89.4 Ų | 89.4 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 137.3 | -178.3 | 60 | 0 | 0 | 0 | 0 | 112.6 | R1675 Y1749 | R1675-S1677 PolarHBondContact O-N 2.91Å; S1677-Y1749 WeakPolarHBondContact CA-O 3.11Å |
| 1678 | Y | 37.4 | Very low | 38.8 | Very low | 105 Ų | 105 | 93.8 Ų | 93.8 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 166.9 | 167 | 61.8 | -92.2 | 0 | 0 | 0 | 110.8 | T1680 Y1749 T1751 | Y1678-T1680 HydrophobicContact CD2-CG2 4.04Å; Y1678-T1680 HydrophobicContact CE2-CG2 3.95Å; Y1678-Y1749 HydrophobicContact CE2-CD2 4.11Å; Y1678-Y1749 HydrophobicContact CE2-CG 4Å; Y1678-Y1749 PolarHBondContact N-O 2.76Å; Y1678-Y1749 PolarHBondContact O-N 2.8Å; Y1678-Y1749 VanDerWaalsContact O-O 3.05Å; Y1678-T1751 HydrophobicContact CE1-CG2 3.83Å |
| 1679 | V | 35.1 | Very low | 38 | Very low | 94 Ų | 94 | 98.4 Ų | 98.4 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.1 | -179.7 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | I1746 A1748 | V1679-I1746 HydrophobicContact CG1-CG2 3.29Å; V1679-A1748 HydrophobicContact CG2-CB 4.3Å |
| 1680 | T | 46.2 | Very low | 37.3 | Very low | 53 Ų | 53 | 104.4 Ų | 104.4 | 33% | 0.325 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119 | 134 | 175.6 | 47.5 | 0 | 0 | 0 | 0 | 110.9 | Y1678 T1747 Y1749 | Y1678-T1680 HydrophobicContact CD2-CG2 4.04Å; Y1678-T1680 HydrophobicContact CE2-CG2 3.95Å; T1680-T1747 PolarHBondContact N-O 3.19Å; T1680-T1747 PolarHBondContact O-N 3.18Å; T1680-T1747 PolarHBondContact OG1-O 3.09Å; T1680-Y1749 WeakPolarHBondContact OG1-CD2 3.12Å; T1680-Y1749 WeakPolarHBondContact OG1-CE2 3.12Å |
| 1681 | T | 37.3 | Very low | 36.7 | Very low | 75 Ų | 75 | 99 Ų | 99 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.9 | 178 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | I1746 | T1681-I1746 HydrophobicContact CG2-CD1 4.12Å; T1681-I1746 HydrophobicContact CG2-CG1 4.08Å |
| 1682 | V | 47.5 | Very low | 36.2 | Very low | 90 Ų | 90 | 101.9 Ų | 101.9 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.7 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | A1684 F1744 N1745 | V1682-A1684 PolarHBondContact O-N 3.38Å; V1682-F1744 CarbonylContact O-C 3.55Å; V1682-F1744 VanDerWaalsContact O-CA 3.27Å; V1682-F1744 WeakPolarHBondContact O-CA 3.03Å; V1682-N1745 PolarHBondContact N-O 2.86Å; V1682-N1745 PolarHBondContact O-N 2.77Å |
| 1683 | A | 44.7 | Very low | 35.4 | Very low | 52 Ų | 52 | 106.2 Ų | 106.2 | 43% | 0.43 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.4 | 129.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | D1685 F1744 | A1683-D1685 VanDerWaalsContact C-N 3.27Å; A1683-D1685 PolarHBondContact O-N 3.23Å; A1683-F1744 HydrophobicContact CB-CD1 4.02Å; A1683-F1744 HydrophobicContact CB-CE1 3.77Å; A1683-F1744 HydrophobicContact CB-CZ 4.5Å |
| 1684 | A | 38.9 | Very low | 34.8 | Very low | 49 Ų | 49 | 109.2 Ų | 109.2 | 41% | 0.405 | 62% | 0.619 | S | S | . | * | trans | -81.4 | 76.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V1682 I1743 | V1682-A1684 PolarHBondContact O-N 3.38Å; A1684-I1743 HydrophobicContact CB-CB 4.41Å; A1684-I1743 HydrophobicContact CB-CG2 4.44Å; A1684-I1743 WeakPolarHBondContact CB-O 3.22Å; A1684-I1743 PolarHBondContact N-O 3.08Å | ||
| 1685 | D | 40.7 | Very low | 34.3 | Very low | 145 Ų | 145 | 113.3 Ų | 113.3 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | trans | -83.7 | 155 | 179.8 | -146.8 | -16.9 | 0 | 0 | 0 | 112.3 | A1683 D1687 | A1683-D1685 VanDerWaalsContact C-N 3.27Å; A1683-D1685 PolarHBondContact O-N 3.23Å; D1685-D1687 PolarHBondContact O-N 2.99Å | ||
| 1686 | N | 38.8 | Very low | 33.7 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | trans | -81.8 | 101.9 | -163.3 | -71.2 | -87.2 | 0 | 0 | 0 | 113.5 | Q1688 | N1686-Q1688 PolarHBondContact O-N 3.41Š| ||
| 1687 | D | 32.9 | Very low | 32.8 | Very low | 169 Ų | 169 | 111.5 Ų | 111.5 | 90% | 0.904 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 54 | 16.8 | 132.8 | -121.8 | 21 | 0 | 0 | 0 | 118.6 | D1685 | D1685-D1687 PolarHBondContact O-N 2.99Š|
| 1688 | Q | 32.4 | Very low | 32.2 | Very low | 171 Ų | 171 | 114 Ų | 114 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | trans | -137 | 127.2 | 178.1 | -66.2 | -163.3 | 6.7 | 0 | 0 | 113.7 | N1686 | N1686-Q1688 PolarHBondContact O-N 3.41Š| ||
| 1689 | T | 29 | Very low | 31.6 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | trans | 73.4 | 126.1 | 175.8 | 75.4 | 0 | 0 | 0 | 0 | 116.8 | T1691 | T1689-T1691 PolarHBondContact O-N 2.79Š| ||
| 1690 | N | 25.1 | Very low | 31.1 | Very low | 176 Ų | 176 | 119.3 Ų | 119.3 | 94% | 0.941 | 70% | 0.695 | S | S | * | * | trans | -72.8 | 58.8 | 166.9 | -66.9 | -15.9 | 0 | 0 | 0 | 110.9 | T1692 | N1690-T1692 PolarHBondContact O-N 2.93Š| ||
| 1691 | T | 25.1 | Very low | 30.1 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | trans | -81.4 | 114 | 161.9 | 46.9 | 0 | 0 | 0 | 0 | 107.4 | T1689 A1693 | T1689-T1691 PolarHBondContact O-N 2.79Å; T1691-A1693 VanDerWaalsContact C-N 3.33Å; T1691-A1693 PolarHBondContact O-N 3.36Å | ||
| 1692 | T | 25.1 | Very low | 29.6 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | trans | -59.8 | 100.9 | 168.5 | 45.4 | 0 | 0 | 0 | 0 | 107.5 | N1690 T1694 | N1690-T1692 PolarHBondContact O-N 2.93Å; T1692-T1694 PolarHBondContact O-N 3.4Å | ||
| 1693 | A | 22.5 | Very low | 28.7 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | trans | -65.6 | 85.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108 | T1691 | T1691-A1693 VanDerWaalsContact C-N 3.33Å; T1691-A1693 PolarHBondContact O-N 3.36Å | ||
| 1694 | T | 23.6 | Very low | 28 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -45.7 | 124.7 | 163.5 | 42.1 | 0 | 0 | 0 | 0 | 106.7 | T1692 T1696 | T1692-T1694 PolarHBondContact O-N 3.4Å; T1694-T1696 PolarHBondContact O-N 2.7Å | ||
| 1695 | P | 23.9 | Very low | 27.7 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -51.6 | 119.2 | -174.4 | 21.3 | -32.8 | 0 | 0 | 0 | 107.3 | N1697 | P1695-N1697 PolarHBondContact O-N 2.74Š| ||
| 1696 | T | 22.6 | Very low | 27.4 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -55.5 | 134.1 | -165.8 | 26.5 | 0 | 0 | 0 | 0 | 109 | T1694 V1698 | T1694-T1696 PolarHBondContact O-N 2.7Å; T1696-V1698 PolarHBondContact O-N 2.9Å | ||
| 1697 | N | 23.5 | Very low | 27.3 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -61.1 | 85.1 | 174.9 | -73.6 | -25.3 | 0 | 0 | 0 | 109.4 | P1695 Q1699 | P1695-N1697 PolarHBondContact O-N 2.74Å; N1697-Q1699 PolarHBondContact O-N 2.86Å | ||
| 1698 | V | 24.7 | Very low | 27.9 | Very low | 134 Ų | 134 | 122 Ų | 122 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -52.6 | 95.9 | 137.9 | 176.2 | 0 | 0 | 0 | 0 | 103.3 | T1696 D1700 | T1696-V1698 PolarHBondContact O-N 2.9Å; V1698-D1700 PolarHBondContact O-N 3.43Å | ||
| 1699 | Q | 23.9 | Very low | 28.7 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | -52.9 | 134.3 | -163.5 | -65.2 | 170.2 | -24.7 | 0 | 0 | 109.2 | N1697 G1701 | N1697-Q1699 PolarHBondContact O-N 2.86Å; Q1699-G1701 PolarHBondContact O-N 2.72Å | ||
| 1700 | D | 25.1 | Very low | 29.8 | Very low | 145 Ų | 145 | 118.6 Ų | 118.6 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | trans | -57.4 | 91.6 | 166.8 | -74.9 | -62.7 | 0 | 0 | 0 | 108.1 | V1698 K1702 | V1698-D1700 PolarHBondContact O-N 3.43Å; D1700-K1702 PolarHBondContact O-N 2.98Å | ||
| 1701 | G | 24.9 | Very low | 31.8 | Very low | 59 Ų | 59 | 117.2 Ų | 117.2 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | trans | -75.6 | 31 | -165 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1699 N1703 | Q1699-G1701 PolarHBondContact O-N 2.72Å; G1701-N1703 PolarHBondContact O-N 2.87Å | ||
| 1702 | K | 27.4 | Very low | 33.5 | Very low | 197 Ų | 197 | 112.7 Ų | 112.7 | 86% | 0.857 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 54.8 | -12 | -173 | -67.2 | -171.3 | 173.3 | -175.6 | 0 | 117 | D1700 S1704 | D1700-K1702 PolarHBondContact O-N 2.98Å; K1702-S1704 PolarHBondContact O-N 3.07Å |
| 1703 | N | 28.2 | Very low | 35.2 | Very low | 144 Ų | 144 | 108.8 Ų | 108.8 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | trans | -73.5 | 71.8 | 149.5 | -64.1 | -9.4 | 0 | 0 | 0 | 108.1 | G1701 I1705 | G1701-N1703 PolarHBondContact O-N 2.87Å; N1703-I1705 PolarHBondContact O-N 3.48Å | ||
| 1704 | S | 30.3 | Very low | 37.1 | Very low | 86 Ų | 86 | 112.8 Ų | 112.8 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | trans | -51.2 | 124.8 | 159.2 | 43.6 | 0 | 0 | 0 | 0 | 106.8 | K1702 S1706 | K1702-S1704 PolarHBondContact O-N 3.07Å; S1704-S1706 PolarHBondContact O-N 2.81Å | ||
| 1705 | I | 32.2 | Very low | 39.2 | Very low | 167 Ų | 167 | 111.5 Ų | 111.5 | 86% | 0.856 | 62% | 0.617 | S | S | * | * | trans | -75.1 | 85.6 | -180 | -56.9 | 178.6 | 0 | 0 | 0 | 106.1 | N1703 G1707 | N1703-I1705 PolarHBondContact O-N 3.48Å; I1705-G1707 VanDerWaalsContact C-N 3.25Å; I1705-G1707 PolarHBondContact O-N 3.46Å | ||
| 1706 | S | 34.8 | Very low | 41.4 | Very low | 104 Ų | 104 | 106.6 Ų | 106.6 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | trans | -64.6 | 88.5 | 177 | 41.4 | 0 | 0 | 0 | 0 | 109 | S1704 S1708 | S1704-S1706 PolarHBondContact O-N 2.81Å; S1706-S1708 PolarHBondContact O-N 2.91Å | ||
| 1707 | G | 37.4 | Very low | 44 | Very low | 13 Ų | 13 | 104 Ų | 104 | 13% | 0.134 | 56% | 0.562 | C | S | . | * | trans | -49.6 | 128.1 | 159 | 0 | 0 | 0 | 0 | 0 | 107.1 | S1672 I1705 K1709 | S1672-G1707 WeakPolarHBondContact O-CA 3.47Å; I1705-G1707 VanDerWaalsContact C-N 3.25Å; I1705-G1707 PolarHBondContact O-N 3.46Å; G1707-K1709 PolarHBondContact O-N 3.3Å | ||
| 1708 | S | 45.1 | Very low | 46.5 | Very low | 57 Ų | 57 | 97.9 Ų | 97.9 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | trans | -53.9 | 127.4 | -174.1 | 14.3 | 0 | 0 | 0 | 0 | 109.1 | R1671 G1673 S1706 Y1710 | R1671-S1708 WeakPolarHBondContact O-CB 3.49Å; R1671-S1708 PolarHBondContact O-OG 3.5Å; G1673-S1708 PolarHBondContact N-OG 2.7Å; S1706-S1708 PolarHBondContact O-N 2.91Å; S1708-Y1710 PolarHBondContact O-N 2.83Å | ||
| 1709 | K | 48.9 | Very low | 48.7 | Very low | 157 Ų | 157 | 91.6 Ų | 91.6 | 68% | 0.683 | 49% | 0.491 | S | S | * | . | trans | -52.5 | 114.4 | -179.5 | -91.5 | -178.7 | 178 | -87.7 | 0 | 108.3 | G1707 S1815 D1816 | G1707-K1709 PolarHBondContact O-N 3.3Å; K1709-S1815 WeakPolarHBondContact CA-O 3.37Å; K1709-D1816 VanDerWaalsContact CE-OD2 3.25Å; K1709-D1816 WeakPolarHBondContact CE-OD2 3.37Å; K1709-D1816 IonicContact NZ-OD1 3.74Å; K1709-D1816 PolarHBondContact NZ-OD1 2.6Å; K1709-D1816 IonicContact NZ-OD2 3.63Å; K1709-D1816 PolarHBondContact NZ-OD2 3.06Å | ||
| 1710 | Y | 52.5 | Low | 51 | Low | 54 Ų | 54 | 85.7 Ų | 85.7 | 21% | 0.212 | 46% | 0.461 | C | S | . | . | trans | -138.4 | 106.8 | -176.8 | -176.9 | -104.3 | 0 | 0 | 0 | 108.2 | I1668 S1708 R1718 S1815 | I1668-Y1710 HydrophobicContact CB-CE1 4.5Å; I1668-Y1710 HydrophobicContact CD1-CD1 3.91Å; I1668-Y1710 HydrophobicContact CD1-CE1 3.79Å; I1668-Y1710 HydrophobicContact CG1-CD1 4.28Å; I1668-Y1710 HydrophobicContact CG1-CE1 3.79Å; I1668-Y1710 HydrophobicContact CG2-CD1 3.85Å; I1668-Y1710 HydrophobicContact CG2-CE1 3.89Å; S1708-Y1710 PolarHBondContact O-N 2.83Å; Y1710-R1718 PolarHBondContact O-NH1 3.3Å; Y1710-S1815 PolarHBondContact N-O 2.78Å | ||
| 1711 | Q | 65.4 | Low | 52.9 | Low | 146 Ų | 146 | 79.6 Ų | 79.6 | 68% | 0.682 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 130.7 | 169.5 | -154.2 | 82.4 | 6.3 | 0 | 0 | 107.3 | ||
| 1712 | C | 61.1 | Low | 54.6 | Low | 16 Ų | 16 | 77.7 Ų | 77.7 | 11% | 0.108 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 162.6 | 162 | -71.1 | 0 | 0 | 0 | 0 | 109.9 | F1716 C1755 | C1712-F1716 HydrophobicContact CB-CB 3.77Å; C1712-F1716 WeakPolarHBondContact CB-O 3.12Å; C1712-C1755 VanDerWaalsContact CA-SG 3.51Å; C1712-C1755 HydrophobicContact CB-CB 3.8Å; C1712-C1755 WeakPolarHBondContact CB-SG 3.39Å; C1712-C1755 WeakPolarHBondContact SG-CA 3.38Å; C1712-C1755 WeakPolarHBondContact SG-CB 3.15Å; C1712-C1755 CovalentContact SG-SG 2.04Å; C1712-C1755 PolarHBondContact SG-SG 2.91Å |
| 1713 | P | 62 | Low | 56 | Low | 45 Ų | 45 | 69.5 Ų | 69.5 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 154.9 | 169.6 | -21.8 | 32.7 | 0 | 0 | 0 | 111.3 | F1716 | P1713-F1716 HydrophobicContact CB-CD2 3.83Å; P1713-F1716 HydrophobicContact CB-CE2 4.22Å; P1713-F1716 HydrophobicContact CG-CD2 4.21Å; P1713-F1716 HydrophobicContact CG-CE2 4.48Å; P1713-F1716 WeakPolarHBondContact O-CB 3.24Å; P1713-F1716 PolarHBondContact O-N 3.4Å |
| 1714 | E | 61.7 | Low | 57.3 | Low | 179 Ų | 179 | 63.2 Ų | 63.2 | 84% | 0.836 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 145.1 | 169 | -62.2 | -167.9 | 147.8 | 0 | 0 | 109.6 | ||
| 1715 | T | 66.9 | Low | 58.5 | Low | 82 Ų | 82 | 60.3 Ų | 60.3 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -1.6 | -165.6 | 71.9 | 0 | 0 | 0 | 0 | 117.8 | H1757 | T1715-H1757 PolarHBondContact O-CD2 3.17Å; T1715-H1757 PolarHBondContact OG1-CD2 2.83Å; T1715-H1757 PolarHBondContact OG1-NE2 3.27Å; T1715-H1757 VanDerWaalsContact OG1-NE2 3.15Å |
| 1716 | F | 71 | Confident | 59.4 | Low | 19 Ų | 19 | 54.9 Ų | 54.9 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.7 | 176.8 | -69.1 | -111.4 | 0 | 0 | 0 | 113.8 | W1659 Y1664 L1666 C1712 P1713 C1755 H1757 | W1659-F1716 HydrophobicContact CB-CE2 4.39Å; W1659-F1716 AromaticContact CD1-CE2 3.91Å; W1659-F1716 AromaticContact CD2-CE2 3.65Å; W1659-F1716 HydrophobicContact CD2-CE2 3.65Å; W1659-F1716 AromaticContact CD2-CZ 3.96Å; W1659-F1716 HydrophobicContact CD2-CZ 3.96Å; W1659-F1716 AromaticContact CE2-CE2 3.73Å; W1659-F1716 HydrophobicContact CE3-CE2 4.19Å; W1659-F1716 HydrophobicContact CE3-CZ 4.01Å; W1659-F1716 AromaticContact CG-CE2 3.76Å; W1659-F1716 HydrophobicContact CG-CE2 3.76Å; W1659-F1716 HydrophobicContact CG-CZ 4.39Å; W1659-F1716 HydrophobicContact CZ2-CE2 4.29Å; W1659-F1716 HydrophobicContact CZ3-CZ 4.31Å; W1659-F1716 AromaticContact NE1-CE2 3.9Å; Y1664-F1716 HydrophobicContact CD2-CE1 4.32Å; Y1664-F1716 AromaticContact CE2-CE1 3.85Å; Y1664-F1716 HydrophobicContact CE2-CE1 3.85Å; Y1664-F1716 AromaticContact CE2-CZ 3.67Å; Y1664-F1716 HydrophobicContact CE2-CZ 3.67Å; L1666-F1716 HydrophobicContact CD1-CD1 4.3Å; L1666-F1716 HydrophobicContact CD1-CE1 3.61Å; L1666-F1716 HydrophobicContact CD1-CZ 3.89Å; L1666-F1716 HydrophobicContact CG-CE1 3.89Å; C1712-F1716 HydrophobicContact CB-CB 3.77Å; C1712-F1716 WeakPolarHBondContact CB-O 3.12Å; P1713-F1716 HydrophobicContact CB-CD2 3.83Å; P1713-F1716 HydrophobicContact CB-CE2 4.22Å; P1713-F1716 HydrophobicContact CG-CD2 4.21Å; P1713-F1716 HydrophobicContact CG-CE2 4.48Å; P1713-F1716 WeakPolarHBondContact O-CB 3.24Å; P1713-F1716 PolarHBondContact O-N 3.4Å; F1716-C1755 HydrophobicContact CB-CB 4.07Å; F1716-C1755 HydrophobicContact CD1-CB 3.91Å; F1716-C1755 HydrophobicContact CG-CB 4.35Å; F1716-H1757 HydrophobicContact CD1-CB 3.84Å; F1716-H1757 AromaticContact CD2-CD2 3.89Å; F1716-H1757 HydrophobicContact CE1-CB 3.68Å; F1716-H1757 HydrophobicContact CE2-CB 4.42Å; F1716-H1757 AromaticContact CE2-CD2 3.69Å; F1716-H1757 HydrophobicContact CG-CB 4.3Å; F1716-H1757 HydrophobicContact CZ-CB 4Å |
| 1717 | E | 77.5 | Confident | 60.2 | Low | 74 Ų | 74 | 54.6 Ų | 54.6 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 135.2 | 170.3 | -67.3 | -167.7 | 103 | 0 | 0 | 112.2 | K1719 C1755 V1756 | E1717-K1719 WeakPolarHBondContact OE2-CE 3.14Å; E1717-K1719 IonicContact OE2-NZ 2.8Å; E1717-K1719 PolarHBondContact OE2-NZ 2.85Å; E1717-C1755 CarbonylContact O-C 3.53Å; E1717-V1756 PolarHBondContact N-O 2.81Å; E1717-V1756 PolarHBondContact O-N 3.39Å |
| 1718 | R | 75.9 | Confident | 60.9 | Low | 12 Ų | 12 | 57.7 Ų | 57.7 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.4 | 172.3 | -169.2 | 178 | 174.1 | 179.1 | -5.6 | 110.2 | I1668 Y1710 E1753 F1754 S1812 I1813 S1815 | I1668-R1718 HydrophobicContact CD1-CG 3.72Å; Y1710-R1718 PolarHBondContact O-NH1 3.3Å; R1718-E1753 IonicContact CZ-OE2 3.32Å; R1718-E1753 VanDerWaalsContact CZ-OE2 3.24Å; R1718-E1753 IonicContact NE-OE2 2.98Å; R1718-E1753 PolarHBondContact NE-OE2 3.38Å; R1718-E1753 IonicContact NH2-OE1 3.77Å; R1718-E1753 IonicContact NH2-OE2 2.86Å; R1718-E1753 PolarHBondContact NH2-OE2 2.87Å; R1718-F1754 WeakPolarHBondContact CA-O 3.4Å; R1718-S1812 CarbonylContact O-C 3.6Å; R1718-S1812 WeakPolarHBondContact O-CA 3.41Å; R1718-I1813 HydrophobicContact CB-CB 4.34Å; R1718-I1813 HydrophobicContact CG-CB 4.05Å; R1718-I1813 HydrophobicContact CG-CD1 3.85Å; R1718-I1813 HydrophobicContact CG-CG1 4.13Å; R1718-I1813 PolarHBondContact O-N 2.92Å; R1718-S1815 PolarHBondContact NH1-O 3.4Å |
| 1719 | K | 70.8 | Confident | 60.9 | Low | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136 | -177.8 | -67.1 | -179.6 | 178.7 | 160.8 | 0 | 113 | E1717 F1721 E1753 F1754 V1756 I1810 H1811 S1812 W1825 | E1717-K1719 WeakPolarHBondContact OE2-CE 3.14Å; E1717-K1719 IonicContact OE2-NZ 2.8Å; E1717-K1719 PolarHBondContact OE2-NZ 2.85Å; K1719-F1721 HydrophobicContact CB-CE2 4.26Å; K1719-E1753 WeakPolarHBondContact O-CA 3.24Å; K1719-F1754 PolarHBondContact N-O 3.02Å; K1719-F1754 PolarHBondContact O-N 2.9Å; K1719-V1756 HydrophobicContact CB-CG2 4.06Å; K1719-V1756 HydrophobicContact CD-CB 4.07Å; K1719-V1756 HydrophobicContact CD-CG2 3.91Å; K1719-V1756 HydrophobicContact CG-CG2 4.23Å; K1719-I1810 HydrophobicContact CB-CG2 4.31Å; K1719-H1811 CarbonylContact C-O 3.56Å; K1719-H1811 VanDerWaalsContact CA-O 3.28Å; K1719-H1811 WeakPolarHBondContact CA-O 3.44Å; K1719-S1812 WeakPolarHBondContact CE-OG 3.46Å; K1719-W1825 VanDerWaalsContact NZ-CE2 3.26Å |
| 1720 | R | 72.3 | Confident | 61.1 | Low | 42 Ų | 42 | 57.9 Ų | 57.9 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.3 | 176.1 | -164.2 | 172.2 | -71.6 | 147.3 | 2.7 | 110.1 | I1722 M1752 E1753 I1810 H1811 I1813 G1817 | R1720-I1722 HydrophobicContact CG-CG1 4.3Å; R1720-M1752 CarbonylContact C-O 3.53Å; R1720-M1752 WeakPolarHBondContact CA-O 3.18Å; R1720-E1753 HydrophobicContact CB-CG 4.21Å; R1720-E1753 HydrophobicContact CG-CG 4.02Å; R1720-E1753 IonicContact CZ-OE1 2.7Å; R1720-E1753 IonicContact NE-OE1 2.93Å; R1720-E1753 PolarHBondContact NE-OE1 3.43Å; R1720-E1753 IonicContact NH2-OE1 3.84Å; R1720-E1753 PolarHBondContact NH2-OE1 3.08Å; R1720-I1810 WeakPolarHBondContact O-CA 3.19Å; R1720-H1811 PolarHBondContact N-O 3.29Å; R1720-H1811 PolarHBondContact O-N 3.35Å; R1720-I1813 HydrophobicContact CB-CD1 3.58Å; R1720-I1813 HydrophobicContact CB-CG1 3.96Å; R1720-I1813 HydrophobicContact CG-CD1 4.45Å; R1720-G1817 PolarHBondContact NH1-O 2.82Å; R1720-G1817 PolarHBondContact NH2-O 2.9Å |
| 1721 | F | 64.6 | Low | 60.9 | Low | 16 Ų | 16 | 59.4 Ų | 59.4 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.6 | 172.9 | -70.1 | -116.3 | 0 | 0 | 0 | 108 | M1665 K1719 F1723 T1751 M1752 F1754 M1784 L1807 I1810 | M1665-F1721 HydrophobicContact SD-CE2 4.32Å; M1665-F1721 HydrophobicContact SD-CZ 3.8Å; K1719-F1721 HydrophobicContact CB-CE2 4.26Å; F1721-F1723 HydrophobicContact CB-CE2 3.86Å; F1721-F1723 HydrophobicContact CB-CZ 4.26Å; F1721-T1751 WeakPolarHBondContact O-CA 3.38Å; F1721-M1752 PolarHBondContact N-O 2.8Å; F1721-M1752 PolarHBondContact O-N 2.83Å; F1721-F1754 AromaticContact CD2-CD2 3.54Å; F1721-F1754 HydrophobicContact CD2-CD2 3.54Å; F1721-F1754 AromaticContact CD2-CE2 3.96Å; F1721-F1754 HydrophobicContact CD2-CE2 3.96Å; F1721-F1754 HydrophobicContact CE2-CB 4.46Å; F1721-F1754 AromaticContact CE2-CD2 3.67Å; F1721-F1754 HydrophobicContact CE2-CD2 3.67Å; F1721-F1754 HydrophobicContact CE2-CE2 4.3Å; F1721-F1754 HydrophobicContact CE2-CG 4.37Å; F1721-F1754 HydrophobicContact CG-CD2 4.34Å; F1721-F1754 HydrophobicContact CG-CE2 4.32Å; F1721-M1784 HydrophobicContact CZ-SD 4.2Å; F1721-L1807 HydrophobicContact CB-CD1 4.14Å; F1721-L1807 HydrophobicContact CD1-CD1 3.94Å; F1721-L1807 HydrophobicContact CD1-CD2 4.4Å; F1721-I1810 HydrophobicContact CD1-CD1 3.92Å; F1721-I1810 HydrophobicContact CD1-CG1 3.79Å; F1721-I1810 HydrophobicContact CD2-CG2 4.27Å; F1721-I1810 HydrophobicContact CE1-CD1 3.49Å; F1721-I1810 VanDerWaalsContact CE1-CD1 3.49Å; F1721-I1810 HydrophobicContact CE1-CG1 3.88Å; F1721-I1810 HydrophobicContact CE1-CG2 4.47Å; F1721-I1810 HydrophobicContact CE2-CG2 4.1Å; F1721-I1810 HydrophobicContact CG-CG1 4.28Å; F1721-I1810 HydrophobicContact CZ-CD1 4.01Å; F1721-I1810 HydrophobicContact CZ-CG1 4.43Å; F1721-I1810 HydrophobicContact CZ-CG2 4.21Å |
| 1722 | I | 61.8 | Low | 60.4 | Low | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.3 | -179 | -53.2 | -177.7 | 0 | 0 | 0 | 108.3 | R1720 Y1749 T1751 K1808 S1809 | R1720-I1722 HydrophobicContact CG-CG1 4.3Å; I1722-Y1749 HydrophobicContact CG2-CD1 4.04Å; I1722-T1751 HydrophobicContact CB-CG2 4.42Å; I1722-T1751 HydrophobicContact CG1-CG2 4.08Å; I1722-T1751 HydrophobicContact CG2-CG2 4.17Å; I1722-K1808 WeakPolarHBondContact O-CA 3.47Å; I1722-K1808 WeakPolarHBondContact O-CB 3.17Å; I1722-K1808 PolarHBondContact O-N 2.67Å; I1722-S1809 PolarHBondContact N-O 3.33Å; I1722-S1809 PolarHBondContact O-N 2.82Å |
| 1723 | F | 56.4 | Low | 59.7 | Low | 25 Ų | 25 | 60.2 Ų | 60.2 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.9 | 177.5 | -54.2 | -99.9 | 0 | 0 | 0 | 110.5 | F1721 Y1749 V1750 M1752 I1802 F1805 I1806 L1807 | F1721-F1723 HydrophobicContact CB-CE2 3.86Å; F1721-F1723 HydrophobicContact CB-CZ 4.26Å; F1723-Y1749 CarbonylContact O-C 3.58Å; F1723-Y1749 VanDerWaalsContact O-CA 3.27Å; F1723-Y1749 WeakPolarHBondContact O-CA 3.43Å; F1723-Y1749 WeakPolarHBondContact O-CD1 3.47Å; F1723-V1750 HydrophobicContact CB-CB 4.34Å; F1723-V1750 HydrophobicContact CD2-CG1 4.36Å; F1723-V1750 PolarHBondContact N-O 2.89Å; F1723-V1750 PolarHBondContact O-N 3.27Å; F1723-M1752 HydrophobicContact CE2-CG 4.27Å; F1723-M1752 HydrophobicContact CE2-SD 3.92Å; F1723-M1752 HydrophobicContact CZ-SD 4.48Å; F1723-I1802 HydrophobicContact CD1-CD1 4.08Å; F1723-I1802 HydrophobicContact CD2-CD1 3.97Å; F1723-I1802 HydrophobicContact CE1-CD1 3.97Å; F1723-I1802 HydrophobicContact CE2-CD1 3.86Å; F1723-I1802 HydrophobicContact CG-CD1 4.09Å; F1723-I1802 HydrophobicContact CZ-CD1 3.86Å; F1723-F1805 HydrophobicContact CB-CB 4.08Å; F1723-F1805 HydrophobicContact CB-CD1 4.13Å; F1723-I1806 CarbonylContact C-O 3.54Å; F1723-I1806 WeakPolarHBondContact CA-O 3.36Å; F1723-L1807 HydrophobicContact CD1-CB 3.93Å; F1723-L1807 HydrophobicContact CD1-CD1 4.04Å; F1723-L1807 HydrophobicContact CE1-CB 3.94Å; F1723-L1807 HydrophobicContact CE1-CD1 3.8Å; F1723-L1807 HydrophobicContact CE1-CG 4.42Å; F1723-L1807 HydrophobicContact CE2-CD1 4.38Å; F1723-L1807 HydrophobicContact CG-CD1 4.43Å; F1723-L1807 HydrophobicContact CZ-CD1 3.98Å |
| 1724 | A | 55.5 | Low | 59.3 | Low | 12 Ų | 12 | 61.4 Ų | 61.4 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 145.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1726 T1747 Y1749 F1805 I1806 K1808 | A1724-S1726 PolarHBondContact O-N 2.86Å; A1724-T1747 HydrophobicContact CB-CG2 4.48Å; A1724-Y1749 HydrophobicContact CB-CD1 3.84Å; A1724-Y1749 HydrophobicContact CB-CE1 3.45Å; A1724-Y1749 VanDerWaalsContact CB-CE1 3.45Å; A1724-F1805 CarbonylContact O-C 3.54Å; A1724-F1805 VanDerWaalsContact O-CA 3.31Å; A1724-F1805 WeakPolarHBondContact O-CA 3.38Å; A1724-I1806 PolarHBondContact N-O 3.45Å; A1724-I1806 PolarHBondContact O-N 3.16Å; A1724-K1808 HydrophobicContact CB-CB 4.18Å; A1724-K1808 HydrophobicContact CB-CG 4.32Å |
| 1725 | S | 54.2 | Low | 58.7 | Low | 25 Ų | 25 | 55.1 Ų | 55.1 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 135.1 | 167.9 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | E1727 A1748 R1804 | S1725-E1727 WeakPolarHBondContact CB-O 3.22Å; S1725-E1727 PolarHBondContact O-N 2.99Å; S1725-E1727 PolarHBondContact OG-N 2.7Å; S1725-E1727 VanDerWaalsContact OG-N 3.17Å; S1725-E1727 PolarHBondContact OG-O 2.82Å; S1725-A1748 PolarHBondContact N-O 2.69Å; S1725-R1804 CarbonylContact C-O 3.55Å; S1725-R1804 WeakPolarHBondContact CA-O 2.93Å |
| 1726 | S | 52.1 | Low | 57.9 | Low | 53 Ų | 53 | 56.4 Ų | 56.4 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -69.4 | -19 | 170.5 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | A1724 R1804 | A1724-S1726 PolarHBondContact O-N 2.86Å; S1726-R1804 PolarHBondContact N-O 2.78Å; S1726-R1804 PolarHBondContact OG-O 2.9Å |
| 1727 | E | 51.3 | Low | 57.2 | Low | 99 Ų | 99 | 62.7 Ų | 62.7 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | trans | -110.1 | 125.3 | 179.2 | -72.6 | 159 | -165.1 | 0 | 0 | 109.6 | S1725 R1804 | S1725-E1727 WeakPolarHBondContact CB-O 3.22Å; S1725-E1727 PolarHBondContact O-N 2.99Å; S1725-E1727 PolarHBondContact OG-N 2.7Å; S1725-E1727 VanDerWaalsContact OG-N 3.17Å; S1725-E1727 PolarHBondContact OG-O 2.82Å; E1727-R1804 VanDerWaalsContact OE1-CD 3.27Å; E1727-R1804 WeakPolarHBondContact OE1-CD 3.45Å; E1727-R1804 IonicContact OE1-NE 2.93Å; E1727-R1804 IonicContact OE1-NH1 3.87Å; E1727-R1804 IonicContact OE2-CZ 2.64Å; E1727-R1804 IonicContact OE2-NH1 2.7Å; E1727-R1804 PolarHBondContact OE2-NH1 3.32Å | ||
| 1728 | T | 53 | Low | 56.3 | Low | 78 Ų | 78 | 63 Ų | 63 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | trans | -102 | 113.6 | 171.5 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | I1746 T1747 | T1728-I1746 CarbonylContact C-O 3.53Å; T1728-I1746 VanDerWaalsContact CA-O 3.31Å; T1728-I1746 WeakPolarHBondContact CA-O 3.21Å; T1728-T1747 HydrophobicContact CG2-CG2 4.31Å; T1728-T1747 WeakPolarHBondContact CG2-OG1 3.31Å | ||
| 1729 | E | 44.5 | Very low | 55.2 | Low | 91 Ų | 91 | 69.1 Ų | 69.1 | 43% | 0.425 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126 | -178.9 | -174.7 | 164.1 | -135.6 | 0 | 0 | 110.9 | Q1731 I1746 R1918 | E1729-Q1731 PolarHBondContact O-N 3.46Å; E1729-I1746 PolarHBondContact N-O 2.87Å; E1729-I1746 WeakPolarHBondContact O-CB 3.49Å; E1729-I1746 PolarHBondContact O-N 2.94Å; E1729-R1918 IonicContact OE1-CZ 3.86Å; E1729-R1918 IonicContact OE1-NE 3.67Å; E1729-R1918 IonicContact OE1-NH2 3.33Å; E1729-R1918 PolarHBondContact OE1-NH2 2.83Å |
| 1730 | Q | 53.2 | Low | 54.3 | Low | 126 Ų | 126 | 72.5 Ų | 72.5 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.2 | 174.5 | -58.2 | -154.2 | -63.1 | 0 | 0 | 110.1 | I1743 F1744 N1745 | Q1730-I1743 HydrophobicContact CB-CG2 4.02Å; Q1730-F1744 WeakPolarHBondContact CA-O 3.43Å; Q1730-N1745 WeakPolarHBondContact CG-OD1 3.36Å; Q1730-N1745 PolarHBondContact NE2-OD1 2.74Å |
| 1731 | Q | 47.2 | Very low | 53.3 | Low | 86 Ų | 86 | 77 Ų | 77 | 40% | 0.402 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.3 | 178.7 | -161 | 168.7 | 89.8 | 0 | 0 | 110.2 | E1729 M1733 F1744 I1746 | E1729-Q1731 PolarHBondContact O-N 3.46Å; Q1731-M1733 HydrophobicContact CG-CG 4.24Å; Q1731-M1733 PolarHBondContact O-N 2.75Å; Q1731-F1744 PolarHBondContact N-O 3.18Å; Q1731-F1744 PolarHBondContact O-N 3.01Å; Q1731-I1746 HydrophobicContact CB-CD1 3.55Å; Q1731-I1746 HydrophobicContact CB-CG1 4.04Å; Q1731-I1746 HydrophobicContact CG-CD1 4.24Å |
| 1732 | L | 55 | Low | 52.9 | Low | 100 Ų | 100 | 78.1 Ų | 78.1 | 52% | 0.524 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 115.8 | 174.2 | -171.1 | 73.2 | 0 | 0 | 0 | 108.7 | E1741 I1743 | L1732-E1741 HydrophobicContact CD1-CB 3.94Å; L1732-E1741 HydrophobicContact CD2-CB 4.14Å; L1732-E1741 HydrophobicContact CG-CB 4Å; L1732-I1743 HydrophobicContact CD1-CG1 3.61Å |
| 1733 | M | 46.6 | Very low | 52.7 | Low | 79 Ų | 79 | 80.9 Ų | 80.9 | 39% | 0.389 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.9 | 177.6 | -55.1 | 176.1 | 68.2 | 0 | 0 | 109.9 | Q1731 N1735 T1742 F1744 | Q1731-M1733 HydrophobicContact CG-CG 4.24Å; Q1731-M1733 PolarHBondContact O-N 2.75Å; M1733-N1735 PolarHBondContact O-N 3.02Å; M1733-T1742 PolarHBondContact N-O 3.5Å; M1733-T1742 PolarHBondContact O-N 3.11Å; M1733-T1742 PolarHBondContact O-OG1 3.12Å; M1733-T1742 VanDerWaalsContact O-OG1 3.12Å; M1733-F1744 HydrophobicContact CB-CD2 3.72Å; M1733-F1744 HydrophobicContact CB-CE2 3.83Å; M1733-F1744 HydrophobicContact CG-CD2 4.11Å; M1733-F1744 HydrophobicContact SD-CD2 4.21Å |
| 1734 | S | 54 | Low | 52.4 | Low | 70 Ų | 70 | 81.2 Ų | 81.2 | 49% | 0.49 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 118.1 | 173.3 | -44.2 | 0 | 0 | 0 | 0 | 109.6 | P1736 | S1734-P1736 WeakPolarHBondContact O-CD 3.1Å |
| 1735 | N | 49.3 | Very low | 52.5 | Low | 48 Ų | 48 | 83 Ų | 83 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | trans | -62.5 | 117.3 | 173 | 178.6 | -23 | 0 | 0 | 0 | 108.7 | M1733 N1737 T1738 N1739 T1740 | M1733-N1735 PolarHBondContact O-N 3.02Å; N1735-N1737 PolarHBondContact O-N 2.87Å; N1735-N1737 VanDerWaalsContact O-N 3.09Å; N1735-N1737 PolarHBondContact OD1-N 3.35Å; N1735-N1737 VanDerWaalsContact OD1-N 3.14Å; N1735-T1738 WeakPolarHBondContact CB-OG1 3.17Å; N1735-T1738 PolarHBondContact O-N 2.85Å; N1735-T1738 VanDerWaalsContact O-N 3.16Å; N1735-N1739 WeakPolarHBondContact O-CA 3.46Å; N1735-N1739 PolarHBondContact O-N 3.02Å; N1735-T1740 PolarHBondContact N-O 3.44Å | ||
| 1736 | P | 50.1 | Low | 52.1 | Low | 109 Ų | 109 | 83.1 Ų | 83.1 | 71% | 0.708 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16 | -169.1 | 26.7 | -35.8 | 0 | 0 | 0 | 113.8 | S1734 | S1734-P1736 WeakPolarHBondContact O-CD 3.1Š|
| 1737 | N | 57 | Low | 52 | Low | 150 Ų | 150 | 81.4 Ų | 81.4 | 80% | 0.802 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -21.9 | 179.3 | -66.7 | -16.5 | 0 | 0 | 0 | 113.2 | N1735 | N1735-N1737 PolarHBondContact O-N 2.87Å; N1735-N1737 VanDerWaalsContact O-N 3.09Å; N1735-N1737 PolarHBondContact OD1-N 3.35Å; N1735-N1737 VanDerWaalsContact OD1-N 3.14Å |
| 1738 | T | 57.9 | Low | 51.9 | Low | 82 Ų | 82 | 78.2 Ų | 78.2 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -10 | -173.9 | 52.3 | 0 | 0 | 0 | 0 | 114 | N1735 T1740 | N1735-T1738 WeakPolarHBondContact CB-OG1 3.17Å; N1735-T1738 PolarHBondContact O-N 2.85Å; N1735-T1738 VanDerWaalsContact O-N 3.16Å; T1738-T1740 PolarHBondContact O-N 2.03Å; T1738-T1740 PolarHBondContact OG1-OG1 3.41Å |
| 1739 | N | 53.5 | Low | 51.9 | Low | 140 Ų | 140 | 76.1 Ų | 76.1 | 75% | 0.749 | 41% | 0.41 | S | S | * | . | trans | 53.9 | 16.5 | -170.3 | -75.6 | -23.8 | 0 | 0 | 0 | 114.6 | N1735 | N1735-N1739 WeakPolarHBondContact O-CA 3.46Å; N1735-N1739 PolarHBondContact O-N 3.02Å | ||
| 1740 | T | 50.7 | Low | 52.2 | Low | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | trans | -83.7 | 129.6 | 173 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | N1735 T1738 T1742 | N1735-T1740 PolarHBondContact N-O 3.44Å; T1738-T1740 PolarHBondContact O-N 2.03Å; T1738-T1740 PolarHBondContact OG1-OG1 3.41Å; T1740-T1742 PolarHBondContact O-N 3.31Å | ||
| 1741 | E | 51.9 | Low | 52.2 | Low | 135 Ų | 135 | 67.5 Ų | 67.5 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 110.3 | 171.9 | -65.8 | 178 | 163 | 0 | 0 | 109.5 | L1732 | L1732-E1741 HydrophobicContact CD1-CB 3.94Å; L1732-E1741 HydrophobicContact CD2-CB 4.14Å; L1732-E1741 HydrophobicContact CG-CB 4Å |
| 1742 | T | 55.2 | Low | 52.5 | Low | 40 Ų | 40 | 66 Ų | 66 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.5 | 179.9 | 39.7 | 0 | 0 | 0 | 0 | 109.4 | M1733 T1740 F1744 | M1733-T1742 PolarHBondContact N-O 3.5Å; M1733-T1742 PolarHBondContact O-N 3.11Å; M1733-T1742 PolarHBondContact O-OG1 3.12Å; M1733-T1742 VanDerWaalsContact O-OG1 3.12Å; T1740-T1742 PolarHBondContact O-N 3.31Å; T1742-F1744 WeakPolarHBondContact O-CD2 3.49Å; T1742-F1744 WeakPolarHBondContact OG1-CE2 3.48Å |
| 1743 | I | 58.2 | Low | 52.8 | Low | 77 Ų | 77 | 61.5 Ų | 61.5 | 40% | 0.395 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.9 | 175.5 | -60.6 | 172.7 | 0 | 0 | 0 | 108 | A1684 Q1730 L1732 | A1684-I1743 HydrophobicContact CB-CB 4.41Å; A1684-I1743 HydrophobicContact CB-CG2 4.44Å; A1684-I1743 WeakPolarHBondContact CB-O 3.22Å; A1684-I1743 PolarHBondContact N-O 3.08Å; Q1730-I1743 HydrophobicContact CB-CG2 4.02Å; L1732-I1743 HydrophobicContact CD1-CG1 3.61Å |
| 1744 | F | 50.4 | Low | 53.4 | Low | 33 Ų | 33 | 58.2 Ų | 58.2 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.8 | 170.9 | -68.2 | -94.4 | 0 | 0 | 0 | 109.7 | V1682 A1683 Q1730 Q1731 M1733 T1742 I1746 | V1682-F1744 CarbonylContact O-C 3.55Å; V1682-F1744 VanDerWaalsContact O-CA 3.27Å; V1682-F1744 WeakPolarHBondContact O-CA 3.03Å; A1683-F1744 HydrophobicContact CB-CD1 4.02Å; A1683-F1744 HydrophobicContact CB-CE1 3.77Å; A1683-F1744 HydrophobicContact CB-CZ 4.5Å; Q1730-F1744 WeakPolarHBondContact CA-O 3.43Å; Q1731-F1744 PolarHBondContact N-O 3.18Å; Q1731-F1744 PolarHBondContact O-N 3.01Å; M1733-F1744 HydrophobicContact CB-CD2 3.72Å; M1733-F1744 HydrophobicContact CB-CE2 3.83Å; M1733-F1744 HydrophobicContact CG-CD2 4.11Å; M1733-F1744 HydrophobicContact SD-CD2 4.21Å; T1742-F1744 WeakPolarHBondContact O-CD2 3.49Å; T1742-F1744 WeakPolarHBondContact OG1-CE2 3.48Å; F1744-I1746 PolarHBondContact O-N 2.87Å |
| 1745 | N | 57.6 | Low | 53.8 | Low | 50 Ų | 50 | 54.9 Ų | 54.9 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 110.3 | 166.1 | -68.1 | -7 | 0 | 0 | 0 | 107.6 | V1682 Q1730 | V1682-N1745 PolarHBondContact N-O 2.86Å; V1682-N1745 PolarHBondContact O-N 2.77Å; Q1730-N1745 WeakPolarHBondContact CG-OD1 3.36Å; Q1730-N1745 PolarHBondContact NE2-OD1 2.74Å |
| 1746 | I | 44.8 | Very low | 54.6 | Low | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.138 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124 | -179.5 | -54.3 | -161.6 | 0 | 0 | 0 | 109 | V1679 T1681 T1728 E1729 Q1731 F1744 | V1679-I1746 HydrophobicContact CG1-CG2 3.29Å; T1681-I1746 HydrophobicContact CG2-CD1 4.12Å; T1681-I1746 HydrophobicContact CG2-CG1 4.08Å; T1728-I1746 CarbonylContact C-O 3.53Å; T1728-I1746 VanDerWaalsContact CA-O 3.31Å; T1728-I1746 WeakPolarHBondContact CA-O 3.21Å; E1729-I1746 PolarHBondContact N-O 2.87Å; E1729-I1746 WeakPolarHBondContact O-CB 3.49Å; E1729-I1746 PolarHBondContact O-N 2.94Å; Q1731-I1746 HydrophobicContact CB-CD1 3.55Å; Q1731-I1746 HydrophobicContact CB-CG1 4.04Å; Q1731-I1746 HydrophobicContact CG-CD1 4.24Å; F1744-I1746 PolarHBondContact O-N 2.87Å |
| 1747 | T | 51.1 | Low | 55.3 | Low | 17 Ų | 17 | 48 Ų | 48 | 10% | 0.104 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125.2 | 174.8 | -43.8 | 0 | 0 | 0 | 0 | 109.5 | T1680 A1724 T1728 Y1749 | T1680-T1747 PolarHBondContact N-O 3.19Å; T1680-T1747 PolarHBondContact O-N 3.18Å; T1680-T1747 PolarHBondContact OG1-O 3.09Å; A1724-T1747 HydrophobicContact CB-CG2 4.48Å; T1728-T1747 HydrophobicContact CG2-CG2 4.31Å; T1728-T1747 WeakPolarHBondContact CG2-OG1 3.31Å; T1747-Y1749 HydrophobicContact CG2-CD2 4.28Å; T1747-Y1749 HydrophobicContact CG2-CE2 3.69Å |
| 1748 | A | 49.8 | Very low | 55.5 | Low | 32 Ų | 32 | 42 Ų | 42 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 143 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1679 S1725 F1805 | V1679-A1748 HydrophobicContact CG2-CB 4.3Å; S1725-A1748 PolarHBondContact N-O 2.69Å; A1748-F1805 HydrophobicContact CB-CE1 4.3Å; A1748-F1805 HydrophobicContact CB-CZ 4.15Å |
| 1749 | Y | 51.8 | Low | 55.5 | Low | 34 Ų | 34 | 42.7 Ų | 42.7 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.1 | 178.1 | -76.4 | -86.6 | 0 | 0 | 0 | 110.7 | S1677 Y1678 T1680 I1722 F1723 A1724 T1747 K1808 | S1677-Y1749 WeakPolarHBondContact CA-O 3.11Å; Y1678-Y1749 HydrophobicContact CE2-CD2 4.11Å; Y1678-Y1749 HydrophobicContact CE2-CG 4Å; Y1678-Y1749 PolarHBondContact N-O 2.76Å; Y1678-Y1749 PolarHBondContact O-N 2.8Å; Y1678-Y1749 VanDerWaalsContact O-O 3.05Å; T1680-Y1749 WeakPolarHBondContact OG1-CD2 3.12Å; T1680-Y1749 WeakPolarHBondContact OG1-CE2 3.12Å; I1722-Y1749 HydrophobicContact CG2-CD1 4.04Å; F1723-Y1749 CarbonylContact O-C 3.58Å; F1723-Y1749 VanDerWaalsContact O-CA 3.27Å; F1723-Y1749 WeakPolarHBondContact O-CA 3.43Å; F1723-Y1749 WeakPolarHBondContact O-CD1 3.47Å; A1724-Y1749 HydrophobicContact CB-CD1 3.84Å; A1724-Y1749 HydrophobicContact CB-CE1 3.45Å; A1724-Y1749 VanDerWaalsContact CB-CE1 3.45Å; T1747-Y1749 HydrophobicContact CG2-CD2 4.28Å; T1747-Y1749 HydrophobicContact CG2-CE2 3.69Å; Y1749-K1808 HydrophobicContact CE1-CD 4.02Å; Y1749-K1808 PolarHBondContact OH-NZ 3.33Å; Y1749-K1808 VanDerWaalsContact OH-NZ 3.17Å |
| 1750 | V | 51.5 | Low | 55 | Low | 26 Ų | 26 | 44 Ų | 44 | 16% | 0.158 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.8 | 179.1 | 162.9 | 0 | 0 | 0 | 0 | 108.8 | T1676 F1723 F1805 | T1676-V1750 VanDerWaalsContact O-CA 3.22Å; T1676-V1750 WeakPolarHBondContact O-CA 3.45Å; T1676-V1750 WeakPolarHBondContact O-CG1 3.46Å; F1723-V1750 HydrophobicContact CB-CB 4.34Å; F1723-V1750 HydrophobicContact CD2-CG1 4.36Å; F1723-V1750 PolarHBondContact N-O 2.89Å; F1723-V1750 PolarHBondContact O-N 3.27Å; V1750-F1805 HydrophobicContact CB-CD1 4.18Å; V1750-F1805 HydrophobicContact CB-CE1 4.13Å; V1750-F1805 HydrophobicContact CG2-CD1 4.06Å; V1750-F1805 HydrophobicContact CG2-CE1 3.6Å; V1750-F1805 HydrophobicContact CG2-CE2 4.4Å; V1750-F1805 HydrophobicContact CG2-CZ 3.8Å |
| 1751 | T | 52.7 | Low | 54.4 | Low | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.055 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.8 | -179.2 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | L1674 R1675 T1676 Y1678 F1721 I1722 | L1674-T1751 WeakPolarHBondContact CD2-O 3.36Å; R1675-T1751 PolarHBondContact O-OG1 3Å; T1676-T1751 PolarHBondContact O-N 3.32Å; T1676-T1751 VanDerWaalsContact O-N 3.08Å; Y1678-T1751 HydrophobicContact CE1-CG2 3.83Å; F1721-T1751 WeakPolarHBondContact O-CA 3.38Å; I1722-T1751 HydrophobicContact CB-CG2 4.42Å; I1722-T1751 HydrophobicContact CG1-CG2 4.08Å; I1722-T1751 HydrophobicContact CG2-CG2 4.17Å |
| 1752 | M | 52.9 | Low | 53.5 | Low | 56 Ų | 56 | 50 Ų | 50 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.8 | 178.8 | -61.9 | 179.4 | 69.9 | 0 | 0 | 109.8 | R1720 F1721 F1723 F1754 L1800 I1802 | R1720-M1752 CarbonylContact C-O 3.53Å; R1720-M1752 WeakPolarHBondContact CA-O 3.18Å; F1721-M1752 PolarHBondContact N-O 2.8Å; F1721-M1752 PolarHBondContact O-N 2.83Å; F1723-M1752 HydrophobicContact CE2-CG 4.27Å; F1723-M1752 HydrophobicContact CE2-SD 3.92Å; F1723-M1752 HydrophobicContact CZ-SD 4.48Å; M1752-F1754 HydrophobicContact CB-CE2 3.93Å; M1752-F1754 HydrophobicContact CE-CE2 4.22Å; M1752-F1754 HydrophobicContact CE-CZ 3.8Å; M1752-L1800 HydrophobicContact CE-CD2 4.25Å; M1752-I1802 HydrophobicContact SD-CD1 4.08Å |
| 1753 | E | 61.9 | Low | 52 | Low | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146 | 176.5 | -68.8 | -171.6 | -176.1 | 0 | 0 | 112.2 | I1668 S1672 L1674 R1718 K1719 R1720 I1813 | I1668-E1753 HydrophobicContact CB-CB 4.13Å; I1668-E1753 WeakPolarHBondContact CB-O 3.4Å; I1668-E1753 HydrophobicContact CD1-CB 4.19Å; I1668-E1753 PolarHBondContact N-O 3.21Å; S1672-E1753 VanDerWaalsContact CB-OE2 3.32Å; S1672-E1753 WeakPolarHBondContact CB-OE2 3.28Å; L1674-E1753 HydrophobicContact CD1-CG 4.19Å; L1674-E1753 WeakPolarHBondContact CD1-OE1 3.34Å; L1674-E1753 HydrophobicContact CD2-CG 4.03Å; R1718-E1753 IonicContact CZ-OE2 3.32Å; R1718-E1753 VanDerWaalsContact CZ-OE2 3.24Å; R1718-E1753 IonicContact NE-OE2 2.98Å; R1718-E1753 PolarHBondContact NE-OE2 3.38Å; R1718-E1753 IonicContact NH2-OE1 3.77Å; R1718-E1753 IonicContact NH2-OE2 2.86Å; R1718-E1753 PolarHBondContact NH2-OE2 2.87Å; K1719-E1753 WeakPolarHBondContact O-CA 3.24Å; R1720-E1753 HydrophobicContact CB-CG 4.21Å; R1720-E1753 HydrophobicContact CG-CG 4.02Å; R1720-E1753 IonicContact CZ-OE1 2.7Å; R1720-E1753 IonicContact NE-OE1 2.93Å; R1720-E1753 PolarHBondContact NE-OE1 3.43Å; R1720-E1753 IonicContact NH2-OE1 3.84Å; R1720-E1753 PolarHBondContact NH2-OE1 3.08Å; E1753-I1813 HydrophobicContact CB-CD1 4.48Å; E1753-I1813 HydrophobicContact CG-CD1 3.67Å; E1753-I1813 VanDerWaalsContact OE1-CD1 3.25Å; E1753-I1813 WeakPolarHBondContact OE1-CD1 3.48Å |
| 1754 | F | 60.1 | Low | 50.6 | Low | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 150.8 | -178.7 | -63 | -95.6 | 0 | 0 | 0 | 110.8 | M1665 L1666 P1667 I1668 R1718 K1719 F1721 M1752 V1756 F1782 | M1665-F1754 HydrophobicContact CB-CB 4.17Å; M1665-F1754 HydrophobicContact CB-CD1 3.93Å; M1665-F1754 HydrophobicContact CB-CG 4.32Å; M1665-F1754 HydrophobicContact SD-CG 4.48Å; L1666-F1754 CarbonylContact O-C 3.53Å; L1666-F1754 VanDerWaalsContact O-CA 3.29Å; L1666-F1754 WeakPolarHBondContact O-CA 3.06Å; P1667-F1754 HydrophobicContact CB-CD1 4.31Å; P1667-F1754 HydrophobicContact CB-CE1 4.19Å; I1668-F1754 VanDerWaalsContact CD1-C 3.41Å; R1718-F1754 WeakPolarHBondContact CA-O 3.4Å; K1719-F1754 PolarHBondContact N-O 3.02Å; K1719-F1754 PolarHBondContact O-N 2.9Å; F1721-F1754 AromaticContact CD2-CD2 3.54Å; F1721-F1754 HydrophobicContact CD2-CD2 3.54Å; F1721-F1754 AromaticContact CD2-CE2 3.96Å; F1721-F1754 HydrophobicContact CD2-CE2 3.96Å; F1721-F1754 HydrophobicContact CE2-CB 4.46Å; F1721-F1754 AromaticContact CE2-CD2 3.67Å; F1721-F1754 HydrophobicContact CE2-CD2 3.67Å; F1721-F1754 HydrophobicContact CE2-CE2 4.3Å; F1721-F1754 HydrophobicContact CE2-CG 4.37Å; F1721-F1754 HydrophobicContact CG-CD2 4.34Å; F1721-F1754 HydrophobicContact CG-CE2 4.32Å; M1752-F1754 HydrophobicContact CB-CE2 3.93Å; M1752-F1754 HydrophobicContact CE-CE2 4.22Å; M1752-F1754 HydrophobicContact CE-CZ 3.8Å; F1754-V1756 HydrophobicContact CB-CG2 4.09Å; F1754-F1782 AromaticContact CE1-CD2 3.98Å; F1754-F1782 HydrophobicContact CE1-CD2 3.98Å; F1754-F1782 HydrophobicContact CE1-CE2 4.2Å |
| 1755 | C | 60.8 | Low | 49.7 | Very low | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.3 | 158.7 | -69 | 0 | 0 | 0 | 0 | 107.7 | M1665 L1666 C1712 F1716 E1717 | M1665-C1755 CarbonylContact C-O 3.56Å; M1665-C1755 VanDerWaalsContact CA-O 3.26Å; M1665-C1755 WeakPolarHBondContact CA-O 3.36Å; L1666-C1755 HydrophobicContact CB-CB 4.35Å; L1666-C1755 PolarHBondContact N-O 3.03Å; L1666-C1755 PolarHBondContact O-N 2.92Å; C1712-C1755 VanDerWaalsContact CA-SG 3.51Å; C1712-C1755 HydrophobicContact CB-CB 3.8Å; C1712-C1755 WeakPolarHBondContact CB-SG 3.39Å; C1712-C1755 WeakPolarHBondContact SG-CA 3.38Å; C1712-C1755 WeakPolarHBondContact SG-CB 3.15Å; C1712-C1755 CovalentContact SG-SG 2.04Å; C1712-C1755 PolarHBondContact SG-SG 2.91Å; F1716-C1755 HydrophobicContact CB-CB 4.07Å; F1716-C1755 HydrophobicContact CD1-CB 3.91Å; F1716-C1755 HydrophobicContact CG-CB 4.35Å; E1717-C1755 CarbonylContact O-C 3.53Å |
| 1756 | V | 67.2 | Low | 48.2 | Very low | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.3 | -174.7 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | Y1664 M1665 E1717 K1719 F1754 T1758 M1784 | Y1664-V1756 WeakPolarHBondContact O-CA 3.3Å; M1665-V1756 HydrophobicContact CB-CG2 4.34Å; M1665-V1756 HydrophobicContact CG-CB 4.47Å; M1665-V1756 HydrophobicContact CG-CG1 4.15Å; M1665-V1756 HydrophobicContact CG-CG2 3.89Å; M1665-V1756 HydrophobicContact SD-CG2 4.4Å; E1717-V1756 PolarHBondContact N-O 2.81Å; E1717-V1756 PolarHBondContact O-N 3.39Å; K1719-V1756 HydrophobicContact CB-CG2 4.06Å; K1719-V1756 HydrophobicContact CD-CB 4.07Å; K1719-V1756 HydrophobicContact CD-CG2 3.91Å; K1719-V1756 HydrophobicContact CG-CG2 4.23Å; F1754-V1756 HydrophobicContact CB-CG2 4.09Å; V1756-T1758 HydrophobicContact CG1-CG2 4.3Å; V1756-M1784 HydrophobicContact CG1-CG 4.25Å |
| 1757 | H | 64.9 | Low | 47.6 | Very low | 9 Ų | 9 | 65.1 Ų | 65.1 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.4 | 171.4 | -166 | -102.5 | 0 | 0 | 0 | 108.9 | G1662 E1663 Y1664 T1715 F1716 | G1662-H1757 PolarHBondContact O-ND1 3.36Å; E1663-H1757 WeakPolarHBondContact CA-O 3.08Å; Y1664-H1757 HydrophobicContact CD1-CB 4.23Å; Y1664-H1757 HydrophobicContact CE1-CB 4Å; Y1664-H1757 AromaticContact CE1-CG 3.99Å; Y1664-H1757 AromaticContact CE1-ND1 3.8Å; Y1664-H1757 HydrophobicContact CE2-CB 4.37Å; Y1664-H1757 PolarHBondContact O-N 3.12Å; T1715-H1757 PolarHBondContact O-CD2 3.17Å; T1715-H1757 PolarHBondContact OG1-CD2 2.83Å; T1715-H1757 PolarHBondContact OG1-NE2 3.27Å; T1715-H1757 VanDerWaalsContact OG1-NE2 3.15Å; F1716-H1757 HydrophobicContact CD1-CB 3.84Å; F1716-H1757 AromaticContact CD2-CD2 3.89Å; F1716-H1757 HydrophobicContact CE1-CB 3.68Å; F1716-H1757 HydrophobicContact CE2-CB 4.42Å; F1716-H1757 AromaticContact CE2-CD2 3.69Å; F1716-H1757 HydrophobicContact CG-CB 4.3Å; F1716-H1757 HydrophobicContact CZ-CB 4Å |
| 1758 | T | 59.9 | Low | 46.6 | Very low | 26 Ų | 26 | 70.1 Ų | 70.1 | 16% | 0.16 | 42% | 0.423 | C | S | . | . | trans | -122.4 | 136.4 | 178.2 | 43.5 | 0 | 0 | 0 | 0 | 110 | V1756 E1760 W1825 | V1756-T1758 HydrophobicContact CG1-CG2 4.3Å; T1758-E1760 PolarHBondContact O-N 3.19Å; T1758-W1825 HydrophobicContact CG2-CH2 4Å; T1758-W1825 HydrophobicContact CG2-CZ2 3.95Å | ||
| 1759 | N | 59.4 | Low | 45.8 | Very low | 96 Ų | 96 | 73 Ų | 73 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | trans | -84.3 | 52.9 | -167.1 | -160.9 | 31.8 | 0 | 0 | 0 | 113 | Q1761 | N1759-Q1761 PolarHBondContact O-N 3.29Š| ||
| 1760 | E | 42.9 | Very low | 45 | Very low | 166 Ų | 166 | 80.3 Ų | 80.3 | 78% | 0.776 | 48% | 0.476 | S | S | * | . | trans | -94.8 | 70.1 | -178.1 | -69.9 | -162.4 | -166.3 | 0 | 0 | 113.1 | T1758 | T1758-E1760 PolarHBondContact O-N 3.19Š| ||
| 1761 | Q | 38.1 | Very low | 44.4 | Very low | 184 Ų | 184 | 86.9 Ų | 86.9 | 86% | 0.86 | 50% | 0.503 | S | S | * | . | trans | -110.2 | 127.9 | 151.3 | -72.9 | -151.5 | 14.8 | 0 | 0 | 110.6 | N1759 | N1759-Q1761 PolarHBondContact O-N 3.29Š| ||
| 1762 | N | 32.1 | Very low | 43.9 | Very low | 152 Ų | 152 | 88.9 Ų | 88.9 | 81% | 0.813 | 52% | 0.517 | S | S | * | . | trans | -65.7 | 139.7 | -174.1 | -83.7 | -77.4 | 0 | 0 | 0 | 112.2 | S1764 | N1762-S1764 PolarHBondContact O-N 3.06Š| ||
| 1763 | S | 24.9 | Very low | 43.4 | Very low | 126 Ų | 126 | 91.7 Ų | 91.7 | 88% | 0.881 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -73.2 | 77.6 | -177.8 | 56.2 | 0 | 0 | 0 | 0 | 113 | ||
| 1764 | S | 28.1 | Very low | 42.5 | Very low | 108 Ų | 108 | 92.8 Ų | 92.8 | 76% | 0.755 | 54% | 0.542 | S | S | * | . | trans | -155.8 | 29.7 | 179.5 | 58 | 0 | 0 | 0 | 0 | 117.9 | N1762 | N1762-S1764 PolarHBondContact O-N 3.06Š| ||
| 1765 | S | 30.7 | Very low | 41.8 | Very low | 107 Ų | 107 | 95.1 Ų | 95.1 | 75% | 0.748 | 56% | 0.558 | S | S | * | * | trans | -143.8 | 133.4 | 159.1 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | T1767 | S1765-T1767 PolarHBondContact O-N 3.04Š| ||
| 1766 | G | 26.7 | Very low | 40.9 | Very low | 90 Ų | 90 | 99.6 Ų | 99.6 | 93% | 0.928 | 60% | 0.595 | S | S | * | * | trans | -98.3 | 72 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1767 | T | 31.4 | Very low | 39.3 | Very low | 113 Ų | 113 | 101.2 Ų | 101.2 | 69% | 0.693 | 61% | 0.612 | S | S | * | * | trans | -123.9 | 129.9 | 169.7 | 41.1 | 0 | 0 | 0 | 0 | 109.3 | S1765 S1769 | S1765-T1767 PolarHBondContact O-N 3.04Å; T1767-S1769 VanDerWaalsContact C-N 3.34Å; T1767-S1769 PolarHBondContact O-N 3.09Å | ||
| 1768 | T | 30.8 | Very low | 38.1 | Very low | 122 Ų | 122 | 106.7 Ų | 106.7 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -73.1 | 87.1 | 173.3 | 47.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1769 | S | 32.2 | Very low | 37 | Very low | 91 Ų | 91 | 107.6 Ų | 107.6 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | trans | -63.5 | 139.8 | 159.6 | 44 | 0 | 0 | 0 | 0 | 109 | T1767 | T1767-S1769 VanDerWaalsContact C-N 3.34Å; T1767-S1769 PolarHBondContact O-N 3.09Å | ||
| 1770 | E | 36.4 | Very low | 36 | Very low | 188 Ų | 188 | 109 Ų | 109 | 88% | 0.879 | 66% | 0.659 | S | S | * | * | trans | -68.2 | 134.6 | 173.6 | -63.1 | -178.6 | 126.3 | 0 | 0 | 108.2 | S1772 | E1770-S1772 PolarHBondContact O-N 2.73Š| ||
| 1771 | F | 39.3 | Very low | 36 | Very low | 164 Ų | 164 | 102.5 Ų | 102.5 | 72% | 0.719 | 63% | 0.629 | S | S | * | * | trans | -65.7 | 105.8 | -174.7 | -79.9 | -92.7 | 0 | 0 | 0 | 110.1 | T1773 | F1771-T1773 PolarHBondContact O-N 2.9Š| ||
| 1772 | S | 41.1 | Very low | 36.3 | Very low | 51 Ų | 51 | 97.3 Ų | 97.3 | 36% | 0.357 | 60% | 0.603 | S | S | . | * | trans | -46 | 106.1 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | E1658 E1770 | E1658-S1772 PolarHBondContact O-OG 2.84Å; E1770-S1772 PolarHBondContact O-N 2.73Å | ||
| 1773 | T | 42.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 91.4 Ų | 91.4 | 71% | 0.712 | 57% | 0.573 | S | S | * | * | trans | -81.7 | 131.8 | 177.2 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | F1771 | F1771-T1773 PolarHBondContact O-N 2.9Š| ||
| 1774 | W | 43.3 | Very low | 37.7 | Very low | 27 Ų | 27 | 87.6 Ų | 87.6 | 10% | 0.102 | 54% | 0.542 | C | S | . | . | trans | -45.5 | 134 | 164.5 | -75.1 | 73 | 0 | 0 | 0 | 110.3 | P1660 Y1664 Y1779 I1781 P1789 I1790 M1792 | P1660-W1774 HydrophobicContact CG-CD2 3.9Å; P1660-W1774 HydrophobicContact CG-CG 4.05Å; P1660-W1774 HydrophobicContact CG-CZ2 3.73Å; Y1664-W1774 HydrophobicContact CE1-CZ2 4.2Å; Y1664-W1774 HydrophobicContact CE2-CH2 4.09Å; W1774-Y1779 AromaticContact CE3-CD2 3.97Å; W1774-Y1779 HydrophobicContact CE3-CD2 3.97Å; W1774-Y1779 HydrophobicContact CE3-CE2 4.03Å; W1774-Y1779 HydrophobicContact CE3-CG 4.3Å; W1774-Y1779 HydrophobicContact CZ3-CD1 4.44Å; W1774-Y1779 HydrophobicContact CZ3-CD2 4.38Å; W1774-Y1779 HydrophobicContact CZ3-CG 4.25Å; W1774-I1781 HydrophobicContact CH2-CD1 3.67Å; W1774-I1781 HydrophobicContact CZ2-CD1 4.13Å; W1774-I1781 HydrophobicContact CZ3-CD1 4.4Å; W1774-P1789 HydrophobicContact CZ2-CB 3.56Å; W1774-P1789 HydrophobicContact CZ2-CG 3.84Å; W1774-I1790 VanDerWaalsContact CD1-O 3.23Å; W1774-M1792 HydrophobicContact CD2-CB 4.17Å; W1774-M1792 HydrophobicContact CG-CB 4.3Å | ||
| 1775 | P | 45.4 | Very low | 38.4 | Very low | 58 Ų | 58 | 86 Ų | 86 | 38% | 0.377 | 53% | 0.525 | S | S | . | . | trans | -60 | 163.6 | 173.4 | -15 | 27.1 | 0 | 0 | 0 | 110.8 | W1652 G1777 Y1779 | W1652-P1775 HydrophobicContact CZ2-CB 4.43Å; P1775-G1777 PolarHBondContact O-N 3.4Å; P1775-Y1779 WeakPolarHBondContact CB-OH 3.47Å; P1775-Y1779 WeakPolarHBondContact O-CE2 3.45Å; P1775-Y1779 PolarHBondContact O-OH 3.07Å | ||
| 1776 | A | 40.2 | Very low | 38.7 | Very low | 95 Ų | 95 | 83.8 Ų | 83.8 | 79% | 0.785 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -72.5 | 122 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1777 | G | 35.4 | Very low | 39.3 | Very low | 36 Ų | 36 | 84.4 Ų | 84.4 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 169.8 | 161.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1775 Y1779 | P1775-G1777 PolarHBondContact O-N 3.4Å; G1777-Y1779 VanDerWaalsContact O-CD2 3.3Å; G1777-Y1779 WeakPolarHBondContact O-CD2 3.38Å; G1777-Y1779 WeakPolarHBondContact O-CE2 3.01Å |
| 1778 | D | 38.7 | Very low | 39.7 | Very low | 124 Ų | 124 | 80.2 Ų | 80.2 | 66% | 0.663 | 46% | 0.46 | S | S | * | . | trans | -90.8 | 123.8 | 168.9 | -96.4 | -17.5 | 0 | 0 | 0 | 109.1 | ||||
| 1779 | Y | 36.9 | Very low | 40.3 | Very low | 46 Ų | 46 | 74.7 Ų | 74.7 | 18% | 0.18 | 43% | 0.427 | C | S | . | . | trans | -120.3 | 136 | -172.6 | -63 | -83.9 | 0 | 0 | 0 | 112.6 | W1652 W1774 P1775 G1777 M1792 | W1652-Y1779 AromaticContact CH2-CE1 3.49Å; W1652-Y1779 HydrophobicContact CH2-CE1 3.49Å; W1652-Y1779 VanDerWaalsContact CH2-CE1 3.49Å; W1652-Y1779 AromaticContact CH2-CZ 3.85Å; W1652-Y1779 WeakPolarHBondContact CH2-OH 3.45Å; W1652-Y1779 HydrophobicContact CZ2-CE1 4.08Å; W1652-Y1779 AromaticContact CZ2-CZ 3.97Å; W1652-Y1779 WeakPolarHBondContact CZ2-OH 3.46Å; W1652-Y1779 AromaticContact CZ3-CE1 3.85Å; W1652-Y1779 HydrophobicContact CZ3-CE1 3.85Å; W1774-Y1779 AromaticContact CE3-CD2 3.97Å; W1774-Y1779 HydrophobicContact CE3-CD2 3.97Å; W1774-Y1779 HydrophobicContact CE3-CE2 4.03Å; W1774-Y1779 HydrophobicContact CE3-CG 4.3Å; W1774-Y1779 HydrophobicContact CZ3-CD1 4.44Å; W1774-Y1779 HydrophobicContact CZ3-CD2 4.38Å; W1774-Y1779 HydrophobicContact CZ3-CG 4.25Å; P1775-Y1779 WeakPolarHBondContact CB-OH 3.47Å; P1775-Y1779 WeakPolarHBondContact O-CE2 3.45Å; P1775-Y1779 PolarHBondContact O-OH 3.07Å; G1777-Y1779 VanDerWaalsContact O-CD2 3.3Å; G1777-Y1779 WeakPolarHBondContact O-CD2 3.38Å; G1777-Y1779 WeakPolarHBondContact O-CE2 3.01Å; Y1779-M1792 VanDerWaalsContact O-CE 3.25Å; Y1779-M1792 WeakPolarHBondContact O-CE 3.36Å | ||
| 1780 | C | 38 | Very low | 40.9 | Very low | 126 Ų | 126 | 76.5 Ų | 76.5 | 85% | 0.851 | 43% | 0.428 | S | S | * | . | trans | -102.6 | 100.1 | 169.3 | -74.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1781 | I | 42.2 | Very low | 41.1 | Very low | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | trans | -125.4 | 151.9 | 173.1 | 68.4 | -177.5 | 0 | 0 | 0 | 110.3 | Y1664 L1666 W1774 P1789 M1792 | Y1664-I1781 HydrophobicContact CD2-CB 4.35Å; Y1664-I1781 HydrophobicContact CD2-CD1 3.97Å; Y1664-I1781 HydrophobicContact CD2-CG2 4.34Å; Y1664-I1781 HydrophobicContact CG-CD1 3.92Å; L1666-I1781 HydrophobicContact CD2-CG2 3.92Å; W1774-I1781 HydrophobicContact CH2-CD1 3.67Å; W1774-I1781 HydrophobicContact CZ2-CD1 4.13Å; W1774-I1781 HydrophobicContact CZ3-CD1 4.4Å; I1781-P1789 HydrophobicContact CD1-CG 4.12Å; I1781-M1792 HydrophobicContact CD1-CE 4.12Å; I1781-M1792 HydrophobicContact CD1-SD 3.62Å; I1781-M1792 HydrophobicContact CG1-CE 3.85Å; I1781-M1792 HydrophobicContact CG1-SD 3.96Å | ||
| 1782 | F | 44.9 | Very low | 41.1 | Very low | 75 Ų | 75 | 62.1 Ų | 62.1 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.5 | 173.8 | -56.8 | -88.8 | 0 | 0 | 0 | 110.2 | Y1664 M1665 P1667 F1754 | Y1664-F1782 CarbonylContact C-O 3.41Å; Y1664-F1782 WeakPolarHBondContact CA-O 3.36Å; M1665-F1782 HydrophobicContact CB-CB 4.23Å; M1665-F1782 WeakPolarHBondContact CB-O 3.38Å; M1665-F1782 HydrophobicContact CE-CB 3.8Å; M1665-F1782 WeakPolarHBondContact CG-O 3.25Å; M1665-F1782 PolarHBondContact N-O 2.83Å; M1665-F1782 PolarHBondContact O-N 2.85Å; M1665-F1782 VanDerWaalsContact O-N 3.11Å; P1667-F1782 HydrophobicContact CB-CE2 4.09Å; P1667-F1782 HydrophobicContact CG-CE2 4.03Å; F1754-F1782 AromaticContact CE1-CD2 3.98Å; F1754-F1782 HydrophobicContact CE1-CD2 3.98Å; F1754-F1782 HydrophobicContact CE1-CE2 4.2Å |
| 1783 | T | 44.6 | Very low | 41 | Very low | 29 Ų | 29 | 68 Ų | 68 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 134.4 | 179.1 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1784 | M | 42.6 | Very low | 40.6 | Very low | 45 Ų | 45 | 64.1 Ų | 64.1 | 22% | 0.222 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -75.5 | -34.7 | 172.4 | -81.1 | -69.6 | -80.3 | 0 | 0 | 112 | E1663 M1665 F1721 V1756 W1825 | E1663-M1784 HydrophobicContact CB-CB 4.42Å; E1663-M1784 PolarHBondContact O-N 3.44Å; M1665-M1784 HydrophobicContact CE-CG 3.79Å; M1665-M1784 HydrophobicContact CE-SD 3.52Å; M1665-M1784 VanDerWaalsContact CE-SD 3.52Å; M1665-M1784 HydrophobicContact CG-CG 3.76Å; M1665-M1784 HydrophobicContact CG-SD 4.3Å; M1665-M1784 HydrophobicContact SD-CG 3.75Å; M1665-M1784 HydrophobicContact SD-SD 3.46Å; F1721-M1784 HydrophobicContact CZ-SD 4.2Å; V1756-M1784 HydrophobicContact CG1-CG 4.25Å; M1784-W1825 HydrophobicContact CE-CE3 3.97Å; M1784-W1825 HydrophobicContact CE-CZ3 3.62Å |
| 1785 | N | 42.4 | Very low | 40.2 | Very low | 76 Ų | 76 | 66.8 Ų | 66.8 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -107.8 | 170.3 | -172 | -85.6 | -17.6 | 0 | 0 | 0 | 113.5 | E1663 H1787 L1847 | E1663-N1785 PolarHBondContact OE1-ND2 2.98Å; E1663-N1785 PolarHBondContact OE2-ND2 3.17Å; N1785-H1787 PolarHBondContact O-N 2.86Å; N1785-L1847 WeakPolarHBondContact O-CD1 3.27Å |
| 1786 | T | 37.9 | Very low | 39.7 | Very low | 60 Ų | 60 | 74 Ų | 74 | 37% | 0.368 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -72.4 | 10.5 | -172 | 54 | 0 | 0 | 0 | 0 | 115.8 | L1847 | T1786-L1847 HydrophobicContact CG2-CB 3.93Å; T1786-L1847 WeakPolarHBondContact O-CB 3.47Å; T1786-L1847 PolarHBondContact O-N 2.83Å |
| 1787 | H | 38.3 | Very low | 39.2 | Very low | 103 Ų | 103 | 72.3 Ų | 72.3 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -142.3 | 127 | -173.2 | -60.5 | -34.3 | 0 | 0 | 0 | 109.5 | N1785 | N1785-H1787 PolarHBondContact O-N 2.86Š|
| 1788 | C | 40.3 | Very low | 39 | Very low | 24 Ų | 24 | 79 Ų | 79 | 16% | 0.162 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 147.5 | 170.3 | -41 | 0 | 0 | 0 | 0 | 109.8 | E1797 | C1788-E1797 PolarHBondContact SG-OE1 2.93Š|
| 1789 | P | 42.6 | Very low | 38.8 | Very low | 6 Ų | 6 | 77.1 Ų | 77.1 | 4% | 0.039 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 140.9 | 172.3 | -28.7 | 37.4 | 0 | 0 | 0 | 112.4 | Y1664 W1774 I1781 G1791 M1792 | Y1664-P1789 HydrophobicContact CD1-CG 3.59Å; Y1664-P1789 HydrophobicContact CE1-CG 4.13Å; Y1664-P1789 HydrophobicContact CG-CG 4.23Å; W1774-P1789 HydrophobicContact CZ2-CB 3.56Å; W1774-P1789 HydrophobicContact CZ2-CG 3.84Å; I1781-P1789 HydrophobicContact CD1-CG 4.12Å; P1789-G1791 PolarHBondContact O-N 2.89Å; P1789-M1792 PolarHBondContact O-N 3.39Å |
| 1790 | I | 45 | Very low | 38.7 | Very low | 130 Ų | 130 | 79.6 Ų | 79.6 | 67% | 0.667 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -67 | 121.8 | -174.2 | -60.7 | 177.5 | 0 | 0 | 0 | 109.4 | W1774 | W1774-I1790 VanDerWaalsContact CD1-O 3.23Š|
| 1791 | G | 41.6 | Very low | 38.6 | Very low | 33 Ų | 33 | 79.8 Ų | 79.8 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 122.6 | -61 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1789 K1844 | P1789-G1791 PolarHBondContact O-N 2.89Å; G1791-K1844 PolarHBondContact O-NZ 3.1Å |
| 1792 | M | 39.3 | Very low | 38.4 | Very low | 16 Ų | 16 | 80.6 Ų | 80.6 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | trans | -44 | 133.1 | -176 | -168.7 | -162 | 179 | 0 | 0 | 113.5 | W1774 Y1779 I1781 P1789 A1794 K1844 | W1774-M1792 HydrophobicContact CD2-CB 4.17Å; W1774-M1792 HydrophobicContact CG-CB 4.3Å; Y1779-M1792 VanDerWaalsContact O-CE 3.25Å; Y1779-M1792 WeakPolarHBondContact O-CE 3.36Å; I1781-M1792 HydrophobicContact CD1-CE 4.12Å; I1781-M1792 HydrophobicContact CD1-SD 3.62Å; I1781-M1792 HydrophobicContact CG1-CE 3.85Å; I1781-M1792 HydrophobicContact CG1-SD 3.96Å; P1789-M1792 PolarHBondContact O-N 3.39Å; M1792-A1794 HydrophobicContact CE-CB 4.13Å; M1792-K1844 PolarHBondContact O-NZ 3.43Å | ||
| 1793 | K | 38.3 | Very low | 38.1 | Very low | 176 Ų | 176 | 81.3 Ų | 81.3 | 77% | 0.765 | 42% | 0.421 | S | S | * | . | trans | -110.5 | 78.3 | 174.6 | -68.2 | -179.5 | -178.4 | 174.3 | 0 | 110 | S1795 | K1793-S1795 PolarHBondContact O-N 2.79Å; K1793-S1795 VanDerWaalsContact O-N 3.12Å | ||
| 1794 | A | 34.6 | Very low | 38 | Very low | 34 Ų | 34 | 84.5 Ų | 84.5 | 28% | 0.281 | 43% | 0.43 | S | S | . | . | trans | -62 | 117.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1792 E1797 | M1792-A1794 HydrophobicContact CE-CB 4.13Å; A1794-E1797 HydrophobicContact CB-CG 3.68Å; A1794-E1797 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 1795 | S | 36.2 | Very low | 38 | Very low | 83 Ų | 83 | 84.8 Ų | 84.8 | 58% | 0.58 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -83.8 | -28.6 | 179.3 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | K1793 | K1793-S1795 PolarHBondContact O-N 2.79Å; K1793-S1795 VanDerWaalsContact O-N 3.12Å |
| 1796 | R | 34.2 | Very low | 38.4 | Very low | 210 Ų | 210 | 82.2 Ų | 82.2 | 79% | 0.792 | 42% | 0.416 | S | S | * | . | trans | -150.7 | 135.1 | 178 | -58 | -179 | -176.5 | 152.4 | 4.5 | 109.6 | F1798 | R1796-F1798 HydrophobicContact CB-CE2 4.39Š| ||
| 1797 | E | 28.6 | Very low | 39 | Very low | 59 Ų | 59 | 82 Ų | 82 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | trans | -131.7 | 138.1 | -179.4 | -65.6 | 167.5 | 128.8 | 0 | 0 | 109.6 | C1788 A1794 Q1838 | C1788-E1797 PolarHBondContact SG-OE1 2.93Å; A1794-E1797 HydrophobicContact CB-CG 3.68Å; A1794-E1797 WeakPolarHBondContact CB-OE1 3.36Å; E1797-Q1838 VanDerWaalsContact CD-CD 3.41Å; E1797-Q1838 PolarHBondContact OE1-NE2 2.84Å; E1797-Q1838 WeakPolarHBondContact OE2-CG 3.28Å; E1797-Q1838 PolarHBondContact OE2-NE2 2.82Å | ||
| 1798 | F | 32.7 | Very low | 40 | Very low | 177 Ų | 177 | 80.8 Ų | 80.8 | 78% | 0.776 | 41% | 0.406 | S | S | * | . | trans | -129.4 | 130.2 | -178.8 | -74.1 | -86.3 | 0 | 0 | 0 | 111.3 | R1796 | R1796-F1798 HydrophobicContact CB-CE2 4.39Š| ||
| 1799 | P | 33.9 | Very low | 41.3 | Very low | 83 Ų | 83 | 80 Ų | 80 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | trans | -78.2 | 128 | 179.3 | 31 | -33.7 | 0 | 0 | 0 | 111.9 | K1801 F1836 | P1799-K1801 PolarHBondContact O-N 2.83Å; P1799-F1836 WeakPolarHBondContact CB-O 3.4Å | ||
| 1800 | L | 34.6 | Very low | 42.4 | Very low | 99 Ų | 99 | 80 Ų | 80 | 52% | 0.518 | 40% | 0.4 | S | S | . | . | trans | -74.9 | 110 | 175.3 | -173.4 | 70.2 | 0 | 0 | 0 | 110.6 | M1752 | M1752-L1800 HydrophobicContact CE-CD2 4.25Š| ||
| 1801 | K | 36.1 | Very low | 43.8 | Very low | 129 Ų | 129 | 75.3 Ų | 75.3 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | trans | -116.9 | 129.5 | 172.3 | -179.3 | -174.6 | 178.3 | -173.2 | 0 | 109.9 | P1799 Y1835 | P1799-K1801 PolarHBondContact O-N 2.83Å; K1801-Y1835 HydrophobicContact CD-CE1 4.5Å | ||
| 1802 | I | 38.2 | Very low | 45.4 | Very low | 45 Ų | 45 | 74 Ų | 74 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | trans | -105.4 | 106.7 | 168.1 | -45.8 | -178.5 | 0 | 0 | 0 | 107.8 | F1723 M1752 F1805 | F1723-I1802 HydrophobicContact CD1-CD1 4.08Å; F1723-I1802 HydrophobicContact CD2-CD1 3.97Å; F1723-I1802 HydrophobicContact CE1-CD1 3.97Å; F1723-I1802 HydrophobicContact CE2-CD1 3.86Å; F1723-I1802 HydrophobicContact CG-CD1 4.09Å; F1723-I1802 HydrophobicContact CZ-CD1 3.86Å; M1752-I1802 HydrophobicContact SD-CD1 4.08Å; I1802-F1805 HydrophobicContact CB-CB 3.98Å; I1802-F1805 HydrophobicContact CG2-CB 3.64Å; I1802-F1805 HydrophobicContact CG2-CD2 3.85Å; I1802-F1805 HydrophobicContact CG2-CG 3.99Å; I1802-F1805 PolarHBondContact O-N 2.83Å | ||
| 1803 | P | 39.1 | Very low | 47 | Very low | 90 Ų | 90 | 73.6 Ų | 73.6 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 139.5 | -177.5 | -23.8 | 34.9 | 0 | 0 | 0 | 112.7 | F1805 | P1803-F1805 WeakPolarHBondContact O-CD2 2.69Å; P1803-F1805 PolarHBondContact O-N 3.3Å |
| 1804 | R | 41.3 | Very low | 48.8 | Very low | 97 Ų | 97 | 66.7 Ų | 66.7 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 14.7 | -174.9 | -52.8 | -154.1 | -148.2 | 134.9 | 18.4 | 116.3 | S1725 S1726 E1727 E1919 | S1725-R1804 CarbonylContact C-O 3.55Å; S1725-R1804 WeakPolarHBondContact CA-O 2.93Å; S1726-R1804 PolarHBondContact N-O 2.78Å; S1726-R1804 PolarHBondContact OG-O 2.9Å; E1727-R1804 VanDerWaalsContact OE1-CD 3.27Å; E1727-R1804 WeakPolarHBondContact OE1-CD 3.45Å; E1727-R1804 IonicContact OE1-NE 2.93Å; E1727-R1804 IonicContact OE1-NH1 3.87Å; E1727-R1804 IonicContact OE2-CZ 2.64Å; E1727-R1804 IonicContact OE2-NH1 2.7Å; E1727-R1804 PolarHBondContact OE2-NH1 3.32Å; R1804-E1919 IonicContact CZ-OE2 3.44Å; R1804-E1919 IonicContact NE-OE2 3.69Å; R1804-E1919 PolarHBondContact NH1-O 3.02Å; R1804-E1919 PolarHBondContact NH2-O 3.15Å; R1804-E1919 VanDerWaalsContact NH2-O 3.16Å; R1804-E1919 IonicContact NH2-OE2 3.57Å; R1804-E1919 PolarHBondContact NH2-OE2 2.82Å |
| 1805 | F | 42.2 | Very low | 50.3 | Low | 50 Ų | 50 | 66.9 Ų | 66.9 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 115.8 | 172.8 | -83.3 | -86 | 0 | 0 | 0 | 110.4 | F1723 A1724 A1748 V1750 I1802 P1803 | F1723-F1805 HydrophobicContact CB-CB 4.08Å; F1723-F1805 HydrophobicContact CB-CD1 4.13Å; A1724-F1805 CarbonylContact O-C 3.54Å; A1724-F1805 VanDerWaalsContact O-CA 3.31Å; A1724-F1805 WeakPolarHBondContact O-CA 3.38Å; A1748-F1805 HydrophobicContact CB-CE1 4.3Å; A1748-F1805 HydrophobicContact CB-CZ 4.15Å; V1750-F1805 HydrophobicContact CB-CD1 4.18Å; V1750-F1805 HydrophobicContact CB-CE1 4.13Å; V1750-F1805 HydrophobicContact CG2-CD1 4.06Å; V1750-F1805 HydrophobicContact CG2-CE1 3.6Å; V1750-F1805 HydrophobicContact CG2-CE2 4.4Å; V1750-F1805 HydrophobicContact CG2-CZ 3.8Å; I1802-F1805 HydrophobicContact CB-CB 3.98Å; I1802-F1805 HydrophobicContact CG2-CB 3.64Å; I1802-F1805 HydrophobicContact CG2-CD2 3.85Å; I1802-F1805 HydrophobicContact CG2-CG 3.99Å; I1802-F1805 PolarHBondContact O-N 2.83Å; P1803-F1805 WeakPolarHBondContact O-CD2 2.69Å; P1803-F1805 PolarHBondContact O-N 3.3Å |
| 1806 | I | 50.8 | Low | 51.8 | Low | 22 Ų | 22 | 66 Ų | 66 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 134.4 | 176.1 | -60 | 161.5 | 0 | 0 | 0 | 107.8 | F1723 A1724 K1808 | F1723-I1806 CarbonylContact C-O 3.54Å; F1723-I1806 WeakPolarHBondContact CA-O 3.36Å; A1724-I1806 PolarHBondContact N-O 3.45Å; A1724-I1806 PolarHBondContact O-N 3.16Å; I1806-K1808 PolarHBondContact O-N 3.23Å; I1806-K1808 VanDerWaalsContact O-N 3.14Å |
| 1807 | L | 51.2 | Low | 53.1 | Low | 55 Ų | 55 | 56.6 Ų | 56.6 | 29% | 0.288 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 113.9 | 170.5 | 177.9 | 65.2 | 0 | 0 | 0 | 108.7 | F1721 F1723 I1810 | F1721-L1807 HydrophobicContact CB-CD1 4.14Å; F1721-L1807 HydrophobicContact CD1-CD1 3.94Å; F1721-L1807 HydrophobicContact CD1-CD2 4.4Å; F1723-L1807 HydrophobicContact CD1-CB 3.93Å; F1723-L1807 HydrophobicContact CD1-CD1 4.04Å; F1723-L1807 HydrophobicContact CE1-CB 3.94Å; F1723-L1807 HydrophobicContact CE1-CD1 3.8Å; F1723-L1807 HydrophobicContact CE1-CG 4.42Å; F1723-L1807 HydrophobicContact CE2-CD1 4.38Å; F1723-L1807 HydrophobicContact CG-CD1 4.43Å; F1723-L1807 HydrophobicContact CZ-CD1 3.98Å; L1807-I1810 HydrophobicContact CD1-CG1 4.34Å; L1807-I1810 HydrophobicContact CD2-CD1 4.15Å; L1807-I1810 HydrophobicContact CD2-CG1 4.19Å |
| 1808 | K | 60.5 | Low | 55.2 | Low | 78 Ų | 78 | 60.5 Ų | 60.5 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -44 | -176.6 | -156.1 | -131 | -172.7 | 147.9 | 0 | 112.3 | I1722 A1724 Y1749 I1806 D1828 | I1722-K1808 WeakPolarHBondContact O-CA 3.47Å; I1722-K1808 WeakPolarHBondContact O-CB 3.17Å; I1722-K1808 PolarHBondContact O-N 2.67Å; A1724-K1808 HydrophobicContact CB-CB 4.18Å; A1724-K1808 HydrophobicContact CB-CG 4.32Å; Y1749-K1808 HydrophobicContact CE1-CD 4.02Å; Y1749-K1808 PolarHBondContact OH-NZ 3.33Å; Y1749-K1808 VanDerWaalsContact OH-NZ 3.17Å; I1806-K1808 PolarHBondContact O-N 3.23Å; I1806-K1808 VanDerWaalsContact O-N 3.14Å; K1808-D1828 WeakPolarHBondContact CE-OD1 3.42Å |
| 1809 | S | 66.6 | Low | 56.9 | Low | 8 Ų | 8 | 55.5 Ų | 55.5 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 158.4 | -178.4 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | I1722 H1811 H1824 | I1722-S1809 PolarHBondContact N-O 3.33Å; I1722-S1809 PolarHBondContact O-N 2.82Å; S1809-H1811 PolarHBondContact OG-CE1 2.99Å; S1809-H1824 WeakPolarHBondContact CB-CE1 3.45Å |
| 1810 | I | 65.9 | Low | 58.8 | Low | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.8 | 170 | -51.7 | 172.7 | 0 | 0 | 0 | 108 | K1719 R1720 F1721 L1807 W1825 H1826 | K1719-I1810 HydrophobicContact CB-CG2 4.31Å; R1720-I1810 WeakPolarHBondContact O-CA 3.19Å; F1721-I1810 HydrophobicContact CD1-CD1 3.92Å; F1721-I1810 HydrophobicContact CD1-CG1 3.79Å; F1721-I1810 HydrophobicContact CD2-CG2 4.27Å; F1721-I1810 HydrophobicContact CE1-CD1 3.49Å; F1721-I1810 VanDerWaalsContact CE1-CD1 3.49Å; F1721-I1810 HydrophobicContact CE1-CG1 3.88Å; F1721-I1810 HydrophobicContact CE1-CG2 4.47Å; F1721-I1810 HydrophobicContact CE2-CG2 4.1Å; F1721-I1810 HydrophobicContact CG-CG1 4.28Å; F1721-I1810 HydrophobicContact CZ-CD1 4.01Å; F1721-I1810 HydrophobicContact CZ-CG1 4.43Å; F1721-I1810 HydrophobicContact CZ-CG2 4.21Å; L1807-I1810 HydrophobicContact CD1-CG1 4.34Å; L1807-I1810 HydrophobicContact CD2-CD1 4.15Å; L1807-I1810 HydrophobicContact CD2-CG1 4.19Å; I1810-W1825 HydrophobicContact CB-CB 3.89Å; I1810-W1825 HydrophobicContact CG2-CB 3.96Å; I1810-W1825 PolarHBondContact O-N 2.93Å; I1810-H1826 HydrophobicContact CD1-CB 4.31Å; I1810-H1826 HydrophobicContact CG1-CB 4.49Å |
| 1811 | H | 73.3 | Confident | 60.2 | Low | 33 Ų | 33 | 55.5 Ų | 55.5 | 15% | 0.153 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.2 | 179 | -65.9 | 87.2 | 0 | 0 | 0 | 110.9 | K1719 R1720 S1809 I1819 H1824 | K1719-H1811 CarbonylContact C-O 3.56Å; K1719-H1811 VanDerWaalsContact CA-O 3.28Å; K1719-H1811 WeakPolarHBondContact CA-O 3.44Å; R1720-H1811 PolarHBondContact N-O 3.29Å; R1720-H1811 PolarHBondContact O-N 3.35Å; S1809-H1811 PolarHBondContact OG-CE1 2.99Å; H1811-I1819 HydrophobicContact CB-CD1 4.36Å; H1811-I1819 HydrophobicContact CB-CG1 4.19Å; H1811-I1819 HydrophobicContact CB-CG2 3.99Å; H1811-H1824 AromaticContact CD2-ND1 3.46Å; H1811-H1824 PolarHBondContact CD2-ND1 2.87Å; H1811-H1824 AromaticContact CE1-CE1 3.45Å; H1811-H1824 PolarHBondContact CE1-CE1 3.37Å; H1811-H1824 VanDerWaalsContact CE1-CE1 3.45Å; H1811-H1824 AromaticContact CE1-ND1 3.49Å; H1811-H1824 PolarHBondContact CE1-ND1 3.43Å; H1811-H1824 AromaticContact NE2-CE1 3.37Å; H1811-H1824 PolarHBondContact NE2-CE1 3.18Å; H1811-H1824 AromaticContact NE2-ND1 2.99Å; H1811-H1824 PolarHBondContact NE2-ND1 3.26Å |
| 1812 | S | 76.4 | Confident | 61.4 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 150.7 | 163.7 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | R1718 K1719 I1820 S1823 | R1718-S1812 CarbonylContact O-C 3.6Å; R1718-S1812 WeakPolarHBondContact O-CA 3.41Å; K1719-S1812 WeakPolarHBondContact CE-OG 3.46Å; S1812-I1820 PolarHBondContact O-N 2.94Å; S1812-S1823 WeakPolarHBondContact CB-OG 3.11Å; S1812-S1823 PolarHBondContact N-O 3.39Å; S1812-S1823 VanDerWaalsContact N-O 3.16Å; S1812-S1823 PolarHBondContact N-OG 2.86Å; S1812-S1823 VanDerWaalsContact N-OG 3.11Å; S1812-S1823 PolarHBondContact O-OG 3.17Å; S1812-S1823 VanDerWaalsContact O-OG 3.14Å |
| 1813 | I | 72.9 | Confident | 62.4 | Low | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.4 | -173.4 | -27.7 | 177.7 | 0 | 0 | 0 | 109.6 | R1718 R1720 E1753 G1817 E1818 | R1718-I1813 HydrophobicContact CB-CB 4.34Å; R1718-I1813 HydrophobicContact CG-CB 4.05Å; R1718-I1813 HydrophobicContact CG-CD1 3.85Å; R1718-I1813 HydrophobicContact CG-CG1 4.13Å; R1718-I1813 PolarHBondContact O-N 2.92Å; R1720-I1813 HydrophobicContact CB-CD1 3.58Å; R1720-I1813 HydrophobicContact CB-CG1 3.96Å; R1720-I1813 HydrophobicContact CG-CD1 4.45Å; E1753-I1813 HydrophobicContact CB-CD1 4.48Å; E1753-I1813 HydrophobicContact CG-CD1 3.67Å; E1753-I1813 VanDerWaalsContact OE1-CD1 3.25Å; E1753-I1813 WeakPolarHBondContact OE1-CD1 3.48Å; I1813-G1817 WeakPolarHBondContact CG2-O 3.47Å; I1813-E1818 CarbonylContact C-O 3.5Å; I1813-E1818 WeakPolarHBondContact CA-O 3.43Å; I1813-E1818 WeakPolarHBondContact CG2-O 3.24Å |
| 1814 | S | 76 | Confident | 62.8 | Low | 31 Ų | 31 | 56.5 Ų | 56.5 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | trans | -66.2 | 165.7 | 165.3 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | D1816 G1817 E1818 | S1814-D1816 PolarHBondContact O-N 2.05Å; S1814-D1816 PolarHBondContact OG-N 3.33Å; S1814-G1817 PolarHBondContact O-N 3.07Å; S1814-E1818 PolarHBondContact N-O 3.08Å; S1814-E1818 PolarHBondContact OG-N 2.99Å; S1814-E1818 PolarHBondContact OG-O 2.85Å | ||
| 1815 | S | 66.9 | Low | 63.1 | Low | 39 Ų | 39 | 56.8 Ų | 56.8 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -26.6 | 166.5 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | K1709 Y1710 R1718 | K1709-S1815 WeakPolarHBondContact CA-O 3.37Å; Y1710-S1815 PolarHBondContact N-O 2.78Å; R1718-S1815 PolarHBondContact NH1-O 3.4Å |
| 1816 | D | 67.5 | Low | 63.2 | Low | 63 Ų | 63 | 57.9 Ų | 57.9 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 0.9 | -169.2 | -65 | 25.5 | 0 | 0 | 0 | 112.4 | K1709 S1814 | K1709-D1816 VanDerWaalsContact CE-OD2 3.25Å; K1709-D1816 WeakPolarHBondContact CE-OD2 3.37Å; K1709-D1816 IonicContact NZ-OD1 3.74Å; K1709-D1816 PolarHBondContact NZ-OD1 2.6Å; K1709-D1816 IonicContact NZ-OD2 3.63Å; K1709-D1816 PolarHBondContact NZ-OD2 3.06Å; S1814-D1816 PolarHBondContact O-N 2.05Å; S1814-D1816 PolarHBondContact OG-N 3.33Å |
| 1817 | G | 60.8 | Low | 63 | Low | 13 Ų | 13 | 64.7 Ų | 64.7 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 89.9 | -1.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1720 I1813 S1814 | R1720-G1817 PolarHBondContact NH1-O 2.82Å; R1720-G1817 PolarHBondContact NH2-O 2.9Å; I1813-G1817 WeakPolarHBondContact CG2-O 3.47Å; S1814-G1817 PolarHBondContact O-N 3.07Å |
| 1818 | E | 72.3 | Confident | 62.5 | Low | 142 Ų | 142 | 67.1 Ų | 67.1 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 137.4 | 174.9 | -63 | -171.3 | 160.2 | 0 | 0 | 111.5 | I1813 S1814 I1820 | I1813-E1818 CarbonylContact C-O 3.5Å; I1813-E1818 WeakPolarHBondContact CA-O 3.43Å; I1813-E1818 WeakPolarHBondContact CG2-O 3.24Å; S1814-E1818 PolarHBondContact N-O 3.08Å; S1814-E1818 PolarHBondContact OG-N 2.99Å; S1814-E1818 PolarHBondContact OG-O 2.85Å; E1818-I1820 PolarHBondContact O-N 3.34Å |
| 1819 | I | 68.4 | Low | 61.3 | Low | 72 Ų | 72 | 67 Ų | 67 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 126 | 175 | -71.9 | 170.6 | 0 | 0 | 0 | 108.9 | H1811 P1821 | H1811-I1819 HydrophobicContact CB-CD1 4.36Å; H1811-I1819 HydrophobicContact CB-CG1 4.19Å; H1811-I1819 HydrophobicContact CB-CG2 3.99Å; I1819-P1821 WeakPolarHBondContact O-CD 3.19Å |
| 1820 | I | 73.3 | Confident | 59.9 | Low | 75 Ų | 75 | 73.9 Ų | 73.9 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124 | 177.9 | -60.2 | 172.8 | 0 | 0 | 0 | 108 | S1812 E1818 N1822 S1823 | S1812-I1820 PolarHBondContact O-N 2.94Å; E1818-I1820 PolarHBondContact O-N 3.34Å; I1820-N1822 PolarHBondContact O-N 3.13Å; I1820-S1823 WeakPolarHBondContact O-CB 3.28Å; I1820-S1823 PolarHBondContact O-N 3.35Å; I1820-S1823 PolarHBondContact O-OG 2.84Å |
| 1821 | P | 63.7 | Low | 58.4 | Low | 107 Ų | 107 | 78.8 Ų | 78.8 | 70% | 0.695 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 140.7 | 179.1 | -27.8 | 36 | 0 | 0 | 0 | 112.3 | I1819 S1823 | I1819-P1821 WeakPolarHBondContact O-CD 3.19Å; P1821-S1823 PolarHBondContact O-N 2.9Å |
| 1822 | N | 62.8 | Low | 56.5 | Low | 174 Ų | 174 | 79.3 Ų | 79.3 | 93% | 0.93 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 63.7 | 5.7 | -177.7 | -52.5 | -21.4 | 0 | 0 | 0 | 116.6 | I1820 H1824 | I1820-N1822 PolarHBondContact O-N 3.13Å; N1822-H1824 PolarHBondContact O-N 3.03Å; N1822-H1824 VanDerWaalsContact O-N 3.09Å |
| 1823 | S | 57.7 | Low | 54.4 | Low | 21 Ų | 21 | 81.1 Ų | 81.1 | 15% | 0.147 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 37.9 | -178.8 | 70 | 0 | 0 | 0 | 0 | 115.3 | S1812 I1820 P1821 | S1812-S1823 WeakPolarHBondContact CB-OG 3.11Å; S1812-S1823 PolarHBondContact N-O 3.39Å; S1812-S1823 VanDerWaalsContact N-O 3.16Å; S1812-S1823 PolarHBondContact N-OG 2.86Å; S1812-S1823 VanDerWaalsContact N-OG 3.11Å; S1812-S1823 PolarHBondContact O-OG 3.17Å; S1812-S1823 VanDerWaalsContact O-OG 3.14Å; I1820-S1823 WeakPolarHBondContact O-CB 3.28Å; I1820-S1823 PolarHBondContact O-N 3.35Å; I1820-S1823 PolarHBondContact O-OG 2.84Å; P1821-S1823 PolarHBondContact O-N 2.9Å |
| 1824 | H | 48.5 | Very low | 52.5 | Low | 89 Ų | 89 | 83.4 Ų | 83.4 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.8 | -175.2 | -150 | 89.4 | 0 | 0 | 0 | 110.9 | S1809 H1811 N1822 H1826 | S1809-H1824 WeakPolarHBondContact CB-CE1 3.45Å; H1811-H1824 AromaticContact CD2-ND1 3.46Å; H1811-H1824 PolarHBondContact CD2-ND1 2.87Å; H1811-H1824 AromaticContact CE1-CE1 3.45Å; H1811-H1824 PolarHBondContact CE1-CE1 3.37Å; H1811-H1824 VanDerWaalsContact CE1-CE1 3.45Å; H1811-H1824 AromaticContact CE1-ND1 3.49Å; H1811-H1824 PolarHBondContact CE1-ND1 3.43Å; H1811-H1824 AromaticContact NE2-CE1 3.37Å; H1811-H1824 PolarHBondContact NE2-CE1 3.18Å; H1811-H1824 AromaticContact NE2-ND1 2.99Å; H1811-H1824 PolarHBondContact NE2-ND1 3.26Å; N1822-H1824 PolarHBondContact O-N 3.03Å; N1822-H1824 VanDerWaalsContact O-N 3.09Å; H1824-H1826 PolarHBondContact CD2-O 3.06Å; H1824-H1826 PolarHBondContact NE2-O 2.62Å |
| 1825 | W | 47.6 | Very low | 50.3 | Low | 103 Ų | 103 | 84.7 Ų | 84.7 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | trans | -100.2 | -10.8 | -166.7 | -118.8 | 61.8 | 0 | 0 | 0 | 115.4 | K1719 T1758 M1784 I1810 | K1719-W1825 VanDerWaalsContact NZ-CE2 3.26Å; T1758-W1825 HydrophobicContact CG2-CH2 4Å; T1758-W1825 HydrophobicContact CG2-CZ2 3.95Å; M1784-W1825 HydrophobicContact CE-CE3 3.97Å; M1784-W1825 HydrophobicContact CE-CZ3 3.62Å; I1810-W1825 HydrophobicContact CB-CB 3.89Å; I1810-W1825 HydrophobicContact CG2-CB 3.96Å; I1810-W1825 PolarHBondContact O-N 2.93Å | ||
| 1826 | H | 43.7 | Very low | 48.7 | Very low | 73 Ų | 73 | 87.9 Ų | 87.9 | 34% | 0.338 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -155 | 133.9 | -179.1 | -157.9 | -70 | 0 | 0 | 0 | 110.4 | I1810 H1824 | I1810-H1826 HydrophobicContact CD1-CB 4.31Å; I1810-H1826 HydrophobicContact CG1-CB 4.49Å; H1824-H1826 PolarHBondContact CD2-O 3.06Å; H1824-H1826 PolarHBondContact NE2-O 2.62Å |
| 1827 | E | 47.9 | Very low | 46.9 | Very low | 165 Ų | 165 | 87.2 Ų | 87.2 | 77% | 0.771 | 44% | 0.442 | S | S | * | . | trans | -70.2 | 157.6 | 179.6 | -61.4 | 178.6 | 133.7 | 0 | 0 | 112.5 | V1829 | E1827-V1829 VanDerWaalsContact C-N 3.35Å; E1827-V1829 WeakPolarHBondContact O-CG2 3.29Å; E1827-V1829 PolarHBondContact O-N 2.89Å | ||
| 1828 | D | 38.9 | Very low | 45.6 | Very low | 107 Ų | 107 | 89.3 Ų | 89.3 | 57% | 0.572 | 45% | 0.448 | S | S | * | . | trans | -65.2 | 81.4 | 174.2 | -77.3 | -75.7 | 0 | 0 | 0 | 111.4 | K1808 E1830 | K1808-D1828 WeakPolarHBondContact CE-OD1 3.42Å; D1828-E1830 PolarHBondContact O-N 3.43Å | ||
| 1829 | V | 35.6 | Very low | 43.5 | Very low | 75 Ų | 75 | 83.2 Ų | 83.2 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | trans | -80.7 | 81.9 | -178.7 | -161.4 | 0 | 0 | 0 | 0 | 111.8 | E1827 N1831 H1832 | E1827-V1829 VanDerWaalsContact C-N 3.35Å; E1827-V1829 WeakPolarHBondContact O-CG2 3.29Å; E1827-V1829 PolarHBondContact O-N 2.89Å; V1829-N1831 PolarHBondContact O-N 3.1Å; V1829-H1832 HydrophobicContact CG1-CB 4.46Å; V1829-H1832 PolarHBondContact O-N 2.85Å; V1829-H1832 PolarHBondContact O-ND1 2.9Å | ||
| 1830 | E | 36.9 | Very low | 41.7 | Very low | 153 Ų | 153 | 82.8 Ų | 82.8 | 72% | 0.715 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -27.3 | 110 | 179.9 | -65.4 | -173.4 | 159.1 | 0 | 0 | 115.4 | D1828 H1832 | D1828-E1830 PolarHBondContact O-N 3.43Å; E1830-H1832 PolarHBondContact O-CE1 3.4Å; E1830-H1832 PolarHBondContact O-N 2.68Å; E1830-H1832 PolarHBondContact O-ND1 3.38Å |
| 1831 | N | 35.1 | Very low | 39.5 | Very low | 107 Ų | 107 | 85.4 Ų | 85.4 | 57% | 0.572 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 42.2 | 168.2 | -61.3 | -5.3 | 0 | 0 | 0 | 116.2 | V1829 | V1829-N1831 PolarHBondContact O-N 3.1Š|
| 1832 | H | 34.4 | Very low | 37.9 | Very low | 45 Ų | 45 | 89.8 Ų | 89.8 | 21% | 0.208 | 44% | 0.44 | C | S | . | . | trans | -117.9 | 119.6 | 173.7 | -65.5 | 94.6 | 0 | 0 | 0 | 113.1 | V1829 E1830 V1834 P1852 | V1829-H1832 HydrophobicContact CG1-CB 4.46Å; V1829-H1832 PolarHBondContact O-N 2.85Å; V1829-H1832 PolarHBondContact O-ND1 2.9Å; E1830-H1832 PolarHBondContact O-CE1 3.4Å; E1830-H1832 PolarHBondContact O-N 2.68Å; E1830-H1832 PolarHBondContact O-ND1 3.38Å; H1832-V1834 PolarHBondContact O-N 3.1Å; H1832-P1852 HydrophobicContact CB-CB 3.85Å | ||
| 1833 | V | 32.2 | Very low | 36.4 | Very low | 42 Ų | 42 | 85.8 Ų | 85.8 | 26% | 0.255 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -77.8 | 120.7 | 168.6 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | Y1835 | V1833-Y1835 HydrophobicContact CB-CD2 4.43Å; V1833-Y1835 HydrophobicContact CB-CE2 3.75Å; V1833-Y1835 HydrophobicContact CG1-CD2 4.06Å; V1833-Y1835 HydrophobicContact CG1-CE1 4.38Å; V1833-Y1835 HydrophobicContact CG1-CE2 3.49Å; V1833-Y1835 VanDerWaalsContact CG1-CE2 3.49Å; V1833-Y1835 WeakPolarHBondContact O-CD2 3.43Å |
| 1834 | V | 31.8 | Very low | 35.1 | Very low | 56 Ų | 56 | 89.3 Ų | 89.3 | 34% | 0.339 | 43% | 0.431 | S | S | . | . | trans | -86.7 | 126.5 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | H1832 F1836 | H1832-V1834 PolarHBondContact O-N 3.1Å; V1834-F1836 HydrophobicContact CG1-CD2 4.46Å; V1834-F1836 HydrophobicContact CG1-CE2 3.81Å; V1834-F1836 HydrophobicContact CG1-CZ 3.9Å | ||
| 1835 | Y | 30.8 | Very low | 34.3 | Very low | 57 Ų | 57 | 89.3 Ų | 89.3 | 22% | 0.224 | 44% | 0.438 | C | S | . | . | trans | -112.9 | 130.8 | 177.4 | -67.2 | -96.1 | 0 | 0 | 0 | 110.5 | K1801 V1833 | K1801-Y1835 HydrophobicContact CD-CE1 4.5Å; V1833-Y1835 HydrophobicContact CB-CD2 4.43Å; V1833-Y1835 HydrophobicContact CB-CE2 3.75Å; V1833-Y1835 HydrophobicContact CG1-CD2 4.06Å; V1833-Y1835 HydrophobicContact CG1-CE1 4.38Å; V1833-Y1835 HydrophobicContact CG1-CE2 3.49Å; V1833-Y1835 VanDerWaalsContact CG1-CE2 3.49Å; V1833-Y1835 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1836 | F | 32.4 | Very low | 33.2 | Very low | 106 Ų | 106 | 89.8 Ų | 89.8 | 47% | 0.465 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.8 | 166.6 | -58.1 | -87.9 | 0 | 0 | 0 | 108.2 | P1799 V1834 | P1799-F1836 WeakPolarHBondContact CB-O 3.4Å; V1834-F1836 HydrophobicContact CG1-CD2 4.46Å; V1834-F1836 HydrophobicContact CG1-CE2 3.81Å; V1834-F1836 HydrophobicContact CG1-CZ 3.9Å |
| 1837 | M | 30 | Very low | 32.4 | Very low | 50 Ų | 50 | 87.2 Ų | 87.2 | 25% | 0.246 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 122.6 | 176.4 | -175.4 | 162 | 61.6 | 0 | 0 | 110.7 | L1848 V1850 L1865 | M1837-L1848 PolarHBondContact O-N 2.72Å; M1837-V1850 HydrophobicContact CE-CG2 4.2Å; M1837-L1865 HydrophobicContact CE-CB 4.1Å; M1837-L1865 HydrophobicContact CE-CD1 4.16Å |
| 1838 | Q | 33.3 | Very low | 31.3 | Very low | 57 Ų | 57 | 83.1 Ų | 83.1 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.1 | -176.8 | -166 | 146.6 | -17.7 | 0 | 0 | 109.6 | E1797 L1847 | E1797-Q1838 VanDerWaalsContact CD-CD 3.41Å; E1797-Q1838 PolarHBondContact OE1-NE2 2.84Å; E1797-Q1838 WeakPolarHBondContact OE2-CG 3.28Å; E1797-Q1838 PolarHBondContact OE2-NE2 2.82Å; Q1838-L1847 HydrophobicContact CB-CD2 3.77Å; Q1838-L1847 HydrophobicContact CB-CG 4.1Å; Q1838-L1847 HydrophobicContact CG-CD2 4.22Å; Q1838-L1847 HydrophobicContact CG-CG 3.97Å |
| 1839 | C | 29.5 | Very low | 30.7 | Very low | 14 Ų | 14 | 85.5 Ų | 85.5 | 10% | 0.095 | 42% | 0.42 | C | S | . | . | trans | -112 | 111.2 | 171.1 | -53.3 | 0 | 0 | 0 | 0 | 107.2 | C1866 V1869 T1872 | C1839-C1866 HydrophobicContact CB-CB 3.82Å; C1839-C1866 WeakPolarHBondContact CB-SG 3.19Å; C1839-C1866 WeakPolarHBondContact SG-CA 3.41Å; C1839-C1866 WeakPolarHBondContact SG-CB 3.23Å; C1839-C1866 CovalentContact SG-SG 2.05Å; C1839-C1866 PolarHBondContact SG-SG 3.16Å; C1839-V1869 HydrophobicContact CB-CB 4.46Å; C1839-T1872 HydrophobicContact CB-CG2 4.2Å | ||
| 1840 | C | 29.2 | Very low | 30.5 | Very low | 63 Ų | 63 | 83.6 Ų | 83.6 | 43% | 0.426 | 41% | 0.409 | S | S | . | . | trans | -63 | 135.3 | -174.7 | -74.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1841 | R | 27.4 | Very low | 30.1 | Very low | 129 Ų | 129 | 80.8 Ų | 80.8 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | trans | -144.4 | 139.7 | 168.8 | -152.7 | -178.7 | 79.7 | -165.8 | 4.8 | 108.3 | D1843 K1844 | R1841-D1843 IonicContact CZ-OD1 3.7Å; R1841-D1843 IonicContact CZ-OD2 3.04Å; R1841-D1843 IonicContact NE-OD1 3.72Å; R1841-D1843 PolarHBondContact NE-OD1 2.6Å; R1841-D1843 IonicContact NE-OD2 2.92Å; R1841-D1843 IonicContact NH2-OD1 3.63Å; R1841-D1843 PolarHBondContact NH2-OD1 3.32Å; R1841-D1843 IonicContact NH2-OD2 2.68Å; R1841-D1843 PolarHBondContact NH2-OD2 2.84Å; R1841-D1843 PolarHBondContact O-N 2.9Å; R1841-K1844 PolarHBondContact O-N 3.19Å; R1841-K1844 VanDerWaalsContact O-N 3.14Å | ||
| 1842 | E | 30.5 | Very low | 29.9 | Very low | 200 Ų | 200 | 79.3 Ų | 79.3 | 94% | 0.935 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.5 | -164.4 | -62.1 | 179.2 | 118.8 | 0 | 0 | 115.1 | ||
| 1843 | D | 31.8 | Very low | 29.7 | Very low | 90 Ų | 90 | 78.1 Ų | 78.1 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 22 | 179.6 | 66.6 | -23.9 | 0 | 0 | 0 | 114.8 | R1841 T1845 | R1841-D1843 IonicContact CZ-OD1 3.7Å; R1841-D1843 IonicContact CZ-OD2 3.04Å; R1841-D1843 IonicContact NE-OD1 3.72Å; R1841-D1843 PolarHBondContact NE-OD1 2.6Å; R1841-D1843 IonicContact NE-OD2 2.92Å; R1841-D1843 IonicContact NH2-OD1 3.63Å; R1841-D1843 PolarHBondContact NH2-OD1 3.32Å; R1841-D1843 IonicContact NH2-OD2 2.68Å; R1841-D1843 PolarHBondContact NH2-OD2 2.84Å; R1841-D1843 PolarHBondContact O-N 2.9Å; D1843-T1845 WeakPolarHBondContact O-CG2 3.42Å; D1843-T1845 PolarHBondContact O-N 2.64Å; D1843-T1845 VanDerWaalsContact O-N 3.09Å |
| 1844 | K | 30 | Very low | 29.5 | Very low | 94 Ų | 94 | 82 Ų | 82 | 41% | 0.409 | 41% | 0.41 | S | S | . | . | trans | 63.9 | 5.7 | 153.9 | -54.8 | -166.5 | -179.6 | -170.6 | 0 | 121.1 | G1791 M1792 R1841 | G1791-K1844 PolarHBondContact O-NZ 3.1Å; M1792-K1844 PolarHBondContact O-NZ 3.43Å; R1841-K1844 PolarHBondContact O-N 3.19Å; R1841-K1844 VanDerWaalsContact O-N 3.14Å | ||
| 1845 | T | 30.5 | Very low | 29.3 | Very low | 89 Ų | 89 | 86.3 Ų | 86.3 | 55% | 0.546 | 43% | 0.431 | S | S | . | . | trans | -114.7 | 33.6 | -170.2 | 74.8 | 0 | 0 | 0 | 0 | 118.9 | D1843 | D1843-T1845 WeakPolarHBondContact O-CG2 3.42Å; D1843-T1845 PolarHBondContact O-N 2.64Å; D1843-T1845 VanDerWaalsContact O-N 3.09Å | ||
| 1846 | L | 25.1 | Very low | 29 | Very low | 113 Ų | 113 | 84.6 Ų | 84.6 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | trans | -156.4 | 100 | 171.9 | -154.2 | 80.9 | 0 | 0 | 0 | 117.4 | ||||
| 1847 | L | 26.2 | Very low | 28.5 | Very low | 19 Ų | 19 | 85.7 Ų | 85.7 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 144.9 | 154.5 | -111.1 | 157.4 | 0 | 0 | 0 | 110.1 | N1785 T1786 Q1838 | N1785-L1847 WeakPolarHBondContact O-CD1 3.27Å; T1786-L1847 HydrophobicContact CG2-CB 3.93Å; T1786-L1847 WeakPolarHBondContact O-CB 3.47Å; T1786-L1847 PolarHBondContact O-N 2.83Å; Q1838-L1847 HydrophobicContact CB-CD2 3.77Å; Q1838-L1847 HydrophobicContact CB-CG 4.1Å; Q1838-L1847 HydrophobicContact CG-CD2 4.22Å; Q1838-L1847 HydrophobicContact CG-CG 3.97Å |
| 1848 | L | 26.4 | Very low | 28.2 | Very low | 79 Ų | 79 | 93.9 Ų | 93.9 | 41% | 0.414 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 107.2 | 174.7 | -88.8 | 163.2 | 0 | 0 | 0 | 110.9 | M1837 V1850 | M1837-L1848 PolarHBondContact O-N 2.72Å; L1848-V1850 PolarHBondContact O-N 2.73Å; L1848-V1850 VanDerWaalsContact O-N 3.15Å |
| 1849 | R | 25.6 | Very low | 27.7 | Very low | 157 Ų | 157 | 95.7 Ų | 95.7 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 103.4 | 163.1 | -170.1 | 177 | -171 | 174.4 | 4.4 | 108 | ||
| 1850 | V | 30.5 | Very low | 27.3 | Very low | 36 Ų | 36 | 97.8 Ų | 97.8 | 22% | 0.218 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 137.1 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | M1837 L1848 | M1837-V1850 HydrophobicContact CE-CG2 4.2Å; L1848-V1850 PolarHBondContact O-N 2.73Å; L1848-V1850 VanDerWaalsContact O-N 3.15Å |
| 1851 | P | 29.4 | Very low | 27 | Very low | 93 Ų | 93 | 98.3 Ų | 98.3 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 139.1 | 177.5 | -26.5 | 35.5 | 0 | 0 | 0 | 111.7 | ||
| 1852 | P | 30.3 | Very low | 26.9 | Very low | 76 Ų | 76 | 97.6 Ų | 97.6 | 49% | 0.494 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 139.1 | 178.6 | 26.9 | -34.3 | 0 | 0 | 0 | 110.5 | H1832 | H1832-P1852 HydrophobicContact CB-CB 3.85Š|
| 1853 | S | 30.2 | Very low | 26.6 | Very low | 20 Ų | 20 | 90.4 Ų | 90.4 | 14% | 0.14 | 49% | 0.485 | C | S | . | . | B | Isolated β-bridge | trans | -133.9 | 144 | 180 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1854 | K | 28.4 | Very low | 26.3 | Very low | 125 Ų | 125 | 87.5 Ų | 87.5 | 54% | 0.543 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -78 | -32.2 | 179.4 | -63.6 | -161.3 | 168.1 | -169 | 0 | 112.6 | ||
| 1855 | D | 28.2 | Very low | 26.3 | Very low | 146 Ų | 146 | 86.9 Ų | 86.9 | 78% | 0.781 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -94.4 | -13.7 | -170.2 | -48.3 | -38.2 | 0 | 0 | 0 | 113.3 | ||
| 1856 | G | 24.4 | Very low | 26.3 | Very low | 20 Ų | 20 | 84 Ų | 84 | 21% | 0.206 | 46% | 0.461 | C | S | . | . | trans | 75.3 | 130.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1858 | G1856-Y1858 PolarHBondContact O-N 2.05Š| ||
| 1857 | F | 22.2 | Very low | 26.5 | Very low | 129 Ų | 129 | 82.2 Ų | 82.2 | 57% | 0.566 | 46% | 0.458 | S | S | * | . | trans | -79.6 | 110.1 | 176.1 | -84.3 | -74.5 | 0 | 0 | 0 | 111 | L1859 | F1857-L1859 PolarHBondContact O-N 3.08Å; F1857-L1859 VanDerWaalsContact O-N 3.15Å | ||
| 1858 | Y | 22.7 | Very low | 26.7 | Very low | 223 Ų | 223 | 83.7 Ų | 83.7 | 88% | 0.875 | 47% | 0.469 | S | S | * | . | trans | -69.6 | 100.4 | 159.7 | -72 | -91.7 | 0 | 0 | 0 | 109 | G1856 A1860 | G1856-Y1858 PolarHBondContact O-N 2.05Å; Y1858-A1860 PolarHBondContact O-N 3.35Å | ||
| 1859 | L | 22.5 | Very low | 26.8 | Very low | 94 Ų | 94 | 81.5 Ų | 81.5 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | trans | -78.3 | 112.4 | 168.1 | -70.5 | 176.4 | 0 | 0 | 0 | 108.6 | F1857 S1863 L1865 | F1857-L1859 PolarHBondContact O-N 3.08Å; F1857-L1859 VanDerWaalsContact O-N 3.15Å; L1859-S1863 VanDerWaalsContact C-OG 3.32Å; L1859-S1863 VanDerWaalsContact CA-OG 3.29Å; L1859-S1863 WeakPolarHBondContact CA-OG 3.39Å; L1859-S1863 VanDerWaalsContact CB-OG 3.32Å; L1859-S1863 WeakPolarHBondContact CB-OG 3.3Å; L1859-S1863 WeakPolarHBondContact CD2-OG 3.48Å; L1859-L1865 HydrophobicContact CD2-CD1 3.83Å | ||
| 1860 | A | 21.8 | Very low | 26.8 | Very low | 59 Ų | 59 | 76.7 Ų | 76.7 | 49% | 0.488 | 45% | 0.448 | S | S | . | . | trans | -69.9 | 157.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y1858 S1862 S1863 | Y1858-A1860 PolarHBondContact O-N 3.35Å; A1860-S1862 PolarHBondContact O-N 2.86Å; A1860-S1863 PolarHBondContact N-OG 2.9Å; A1860-S1863 WeakPolarHBondContact O-CB 3.44Å; A1860-S1863 PolarHBondContact O-N 3.42Å; A1860-S1863 PolarHBondContact O-OG 2.95Å | ||
| 1861 | S | 23.3 | Very low | 26.6 | Very low | 74 Ų | 74 | 78.1 Ų | 78.1 | 52% | 0.517 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 17.3 | 179.8 | 52.3 | 0 | 0 | 0 | 0 | 116.4 | E1877 | S1861-E1877 VanDerWaalsContact CA-OE2 3.23Å; S1861-E1877 WeakPolarHBondContact CA-OE2 3.42Å; S1861-E1877 WeakPolarHBondContact CB-OE2 3.03Å |
| 1862 | S | 24 | Very low | 26.3 | Very low | 113 Ų | 113 | 75.4 Ų | 75.4 | 79% | 0.79 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133 | 2.2 | 169.2 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | A1860 G1864 | A1860-S1862 PolarHBondContact O-N 2.86Å; S1862-G1864 PolarHBondContact O-N 2.98Å |
| 1863 | S | 25.3 | Very low | 26 | Very low | 49 Ų | 49 | 78.6 Ų | 78.6 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | trans | -83.3 | 58.3 | 177.5 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | L1859 A1860 L1865 | L1859-S1863 VanDerWaalsContact C-OG 3.32Å; L1859-S1863 VanDerWaalsContact CA-OG 3.29Å; L1859-S1863 WeakPolarHBondContact CA-OG 3.39Å; L1859-S1863 VanDerWaalsContact CB-OG 3.32Å; L1859-S1863 WeakPolarHBondContact CB-OG 3.3Å; L1859-S1863 WeakPolarHBondContact CD2-OG 3.48Å; A1860-S1863 PolarHBondContact N-OG 2.9Å; A1860-S1863 WeakPolarHBondContact O-CB 3.44Å; A1860-S1863 PolarHBondContact O-N 3.42Å; A1860-S1863 PolarHBondContact O-OG 2.95Å; S1863-L1865 VanDerWaalsContact C-N 3.25Å; S1863-L1865 PolarHBondContact O-N 3.14Å | ||
| 1864 | G | 26 | Very low | 25.7 | Very low | 29 Ų | 29 | 82.6 Ų | 82.6 | 30% | 0.299 | 49% | 0.489 | S | S | . | . | trans | -64.3 | 71.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1862 S1867 S1868 | S1862-G1864 PolarHBondContact O-N 2.98Å; G1864-S1867 WeakPolarHBondContact CA-OG 3.35Å; G1864-S1867 CarbonylContact O-C 3.54Å; G1864-S1868 VanDerWaalsContact O-CB 3.25Å; G1864-S1868 WeakPolarHBondContact O-CB 3.23Å; G1864-S1868 PolarHBondContact O-N 3.11Å | ||
| 1865 | L | 29.1 | Very low | 25.5 | Very low | 81 Ų | 81 | 82.9 Ų | 82.9 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -45.7 | 179.4 | -95.8 | 157.8 | 0 | 0 | 0 | 111.1 | M1837 L1859 S1863 S1868 | M1837-L1865 HydrophobicContact CE-CB 4.1Å; M1837-L1865 HydrophobicContact CE-CD1 4.16Å; L1859-L1865 HydrophobicContact CD2-CD1 3.83Å; S1863-L1865 VanDerWaalsContact C-N 3.25Å; S1863-L1865 PolarHBondContact O-N 3.14Å; L1865-S1868 PolarHBondContact O-N 2.63Å; L1865-S1868 PolarHBondContact O-OG 2.98Å |
| 1866 | C | 30.8 | Very low | 25.3 | Very low | 29 Ų | 29 | 86.7 Ų | 86.7 | 20% | 0.196 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -38.2 | 170.2 | -69.6 | 0 | 0 | 0 | 0 | 113.1 | C1839 S1868 V1869 T1872 | C1839-C1866 HydrophobicContact CB-CB 3.82Å; C1839-C1866 WeakPolarHBondContact CB-SG 3.19Å; C1839-C1866 WeakPolarHBondContact SG-CA 3.41Å; C1839-C1866 WeakPolarHBondContact SG-CB 3.23Å; C1839-C1866 CovalentContact SG-SG 2.05Å; C1839-C1866 PolarHBondContact SG-SG 3.16Å; C1866-S1868 PolarHBondContact O-N 3.47Å; C1866-S1868 VanDerWaalsContact O-N 3.1Å; C1866-V1869 CarbonylContact O-C 3.46Å; C1866-V1869 WeakPolarHBondContact O-CA 3.41Å; C1866-V1869 WeakPolarHBondContact O-CB 3.48Å; C1866-V1869 PolarHBondContact O-N 3.03Å; C1866-T1872 HydrophobicContact CB-CG2 4.12Å; C1866-T1872 PolarHBondContact O-OG1 3.17Å |
| 1867 | S | 29.2 | Very low | 25.1 | Very low | 76 Ų | 76 | 91.9 Ų | 91.9 | 53% | 0.531 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -6.7 | 172.6 | 35.6 | 0 | 0 | 0 | 0 | 114.5 | G1864 V1869 | G1864-S1867 WeakPolarHBondContact CA-OG 3.35Å; G1864-S1867 CarbonylContact O-C 3.54Å; S1867-V1869 VanDerWaalsContact C-N 3.31Å |
| 1868 | S | 30.1 | Very low | 25 | Very low | 49 Ų | 49 | 95.5 Ų | 95.5 | 34% | 0.343 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.6 | 164.8 | 84 | 0 | 0 | 0 | 0 | 114.3 | G1864 L1865 C1866 | G1864-S1868 VanDerWaalsContact O-CB 3.25Å; G1864-S1868 WeakPolarHBondContact O-CB 3.23Å; G1864-S1868 PolarHBondContact O-N 3.11Å; L1865-S1868 PolarHBondContact O-N 2.63Å; L1865-S1868 PolarHBondContact O-OG 2.98Å; C1866-S1868 PolarHBondContact O-N 3.47Å; C1866-S1868 VanDerWaalsContact O-N 3.1Å |
| 1869 | V | 28.8 | Very low | 24.8 | Very low | 33 Ų | 33 | 90.2 Ų | 90.2 | 20% | 0.2 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -120.2 | 98.8 | 173.9 | -177 | 0 | 0 | 0 | 0 | 108.1 | C1839 C1866 S1867 G1871 | C1839-V1869 HydrophobicContact CB-CB 4.46Å; C1866-V1869 CarbonylContact O-C 3.46Å; C1866-V1869 WeakPolarHBondContact O-CA 3.41Å; C1866-V1869 WeakPolarHBondContact O-CB 3.48Å; C1866-V1869 PolarHBondContact O-N 3.03Å; S1867-V1869 VanDerWaalsContact C-N 3.31Å; V1869-G1871 PolarHBondContact O-N 2.75Å |
| 1870 | P | 25.6 | Very low | 24.7 | Very low | 56 Ų | 56 | 91.8 Ų | 91.8 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 136.2 | -179.1 | -26.9 | 35.2 | 0 | 0 | 0 | 112.9 | A921 | A921-P1870 HydrophobicContact CB-CB 3.98Å; A921-P1870 HydrophobicContact CB-CG 4.22Å |
| 1871 | G | 26.4 | Very low | 24.5 | Very low | 66 Ų | 66 | 94.6 Ų | 94.6 | 68% | 0.68 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 125.9 | -22.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1869 | V1869-G1871 PolarHBondContact O-N 2.75Š|
| 1872 | T | 23.6 | Very low | 24.4 | Very low | 37 Ų | 37 | 101.5 Ų | 101.5 | 23% | 0.227 | 56% | 0.561 | C | S | . | * | trans | -83.6 | 118.1 | 178.3 | 60.7 | 0 | 0 | 0 | 0 | 112.2 | C1839 C1866 | C1839-T1872 HydrophobicContact CB-CG2 4.2Å; C1866-T1872 HydrophobicContact CB-CG2 4.12Å; C1866-T1872 PolarHBondContact O-OG1 3.17Å | ||
| 1873 | V | 24.3 | Very low | 24.2 | Very low | 142 Ų | 142 | 103.4 Ų | 103.4 | 86% | 0.861 | 56% | 0.562 | S | S | * | * | trans | -72.7 | 129.9 | 170 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1874 | L | 24.3 | Very low | 24 | Very low | 105 Ų | 105 | 108.3 Ų | 108.3 | 55% | 0.55 | 59% | 0.59 | S | S | . | * | trans | -140.7 | 110.2 | -179.5 | -91.3 | 164.5 | 0 | 0 | 0 | 110 | ||||
| 1875 | D | 24.2 | Very low | 23.7 | Very low | 130 Ų | 130 | 111.4 Ų | 111.4 | 70% | 0.695 | 61% | 0.607 | S | S | * | * | trans | -113.7 | 107.7 | 173.6 | -142.2 | -33.5 | 0 | 0 | 0 | 108.8 | ||||
| 1876 | R | 23.9 | Very low | 23.4 | Very low | 227 Ų | 227 | 112.2 Ų | 112.2 | 86% | 0.857 | 62% | 0.617 | S | S | * | * | trans | 63.9 | 101.9 | 163.7 | -59.1 | 157.6 | -164.2 | -136.4 | -6.6 | 118.5 | ||||
| 1877 | E | 19.8 | Very low | 22.9 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 60% | 0.598 | 65% | 0.649 | S | S | * | * | trans | -88.4 | 146.8 | 154.3 | -66.4 | -179.3 | -173.9 | 0 | 0 | 111.4 | S1861 | S1861-E1877 VanDerWaalsContact CA-OE2 3.23Å; S1861-E1877 WeakPolarHBondContact CA-OE2 3.42Å; S1861-E1877 WeakPolarHBondContact CB-OE2 3.03Å | ||
| 1878 | K | 20.1 | Very low | 22.6 | Very low | 205 Ų | 205 | 123.2 Ų | 123.2 | 89% | 0.891 | 66% | 0.661 | S | S | * | * | trans | -142 | 148.5 | 161.6 | -92.2 | -169.2 | 173.6 | -175.3 | 0 | 110.3 | ||||
| 1879 | I | 18.7 | Very low | 22.2 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 58% | 0.579 | 68% | 0.684 | S | S | * | * | trans | -130.8 | 134.7 | 176.7 | -61.2 | 177.1 | 0 | 0 | 0 | 108.2 | ||||
| 1880 | T | 18.9 | Very low | 22 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | trans | -136.6 | 138.2 | 168 | 43.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1881 | T | 18.9 | Very low | 21.8 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -109 | 120.4 | -170.3 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1882 | Y | 21.6 | Very low | 21.6 | Very low | 219 Ų | 219 | 137.7 Ų | 137.7 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | -133.1 | 131.2 | 166.5 | -74.2 | -75.7 | 0 | 0 | 0 | 110.9 | ||||
| 1883 | L | 19.9 | Very low | 21.6 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | -144.2 | 123.1 | -178.3 | -75.9 | 171.7 | 0 | 0 | 0 | 109.6 | ||||
| 1884 | T | 20.2 | Very low | 21.6 | Very low | 151 Ų | 151 | 142 Ų | 142 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | -178.3 | 155.9 | 127.9 | 21.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1885 | S | 19.9 | Very low | 21.5 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | -105.5 | 142.8 | -165.4 | -170.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1886 | P | 22.6 | Very low | 21.6 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 153.4 | 175.3 | -18.9 | 32.5 | 0 | 0 | 0 | 114.6 | ||||
| 1887 | L | 21.1 | Very low | 21.7 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -89.8 | 138.8 | 174.5 | -82.5 | 164.8 | 0 | 0 | 0 | 112.5 | ||||
| 1888 | H | 21.6 | Very low | 21.9 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | -113.9 | 101.6 | 178.3 | -169.3 | 85 | 0 | 0 | 0 | 110.8 | N1890 | H1888-N1890 PolarHBondContact O-N 3.27Š| ||
| 1889 | S | 22.6 | Very low | 22.1 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -89.4 | 92.5 | -179.6 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | S1891 | S1889-S1891 PolarHBondContact O-N 3.01Š| ||
| 1890 | N | 24.5 | Very low | 22.3 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -77.4 | 119 | 178.7 | -170.6 | 1 | 0 | 0 | 0 | 111.4 | H1888 | H1888-N1890 PolarHBondContact O-N 3.27Š| ||
| 1891 | S | 21 | Very low | 22.7 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -119.7 | 78 | -177.4 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | S1889 | S1889-S1891 PolarHBondContact O-N 3.01Š| ||
| 1892 | N | 22.1 | Very low | 23 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -160.5 | 140.5 | 159.3 | -99.7 | -46.1 | 0 | 0 | 0 | 111.3 | ||||
| 1893 | A | 23.6 | Very low | 23.2 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | 60.2 | 138.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1894 | M | 25 | Very low | 23.7 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | cis | -127.8 | 148.4 | 15.4 | -74.4 | -171.9 | 173.1 | 0 | 0 | 114.1 | ||||
| 1895 | N | 22.1 | Very low | 24.1 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -87.9 | 102.5 | 157 | 178.2 | 28.1 | 0 | 0 | 0 | 108.9 | ||||
| 1896 | N | 26.1 | Very low | 24.6 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -175.2 | 143.3 | 142.3 | -98.6 | -37.9 | 0 | 0 | 0 | 115.5 | ||||
| 1897 | N | 24.7 | Very low | 24.9 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -55.1 | 122.4 | -179.3 | -56.1 | -56.7 | 0 | 0 | 0 | 115.9 | ||||
| 1898 | R | 24.6 | Very low | 25.3 | Very low | 253 Ų | 253 | 138.9 Ų | 138.9 | 96% | 0.955 | 74% | 0.74 | S | S | * | * | trans | -152.9 | 161.4 | 144.5 | -107.8 | 158.2 | -159.2 | -153.2 | 3.1 | 111 | ||||
| 1899 | K | 24 | Very low | 25.6 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | trans | -89.5 | 143.9 | -158.7 | -68.4 | -178 | 178.7 | 179.8 | 0 | 113.6 | T1901 | K1899-T1901 PolarHBondContact O-N 2.99Š| ||
| 1900 | S | 23.8 | Very low | 25.8 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | -47.6 | 120.3 | 166.6 | 160.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1901 | T | 26.3 | Very low | 25.8 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | -107.7 | 123.8 | 146 | 42.6 | 0 | 0 | 0 | 0 | 107.9 | K1899 L1903 | K1899-T1901 PolarHBondContact O-N 2.99Å; T1901-L1903 PolarHBondContact O-N 3.08Å | ||
| 1902 | V | 26.9 | Very low | 26 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 117.7 | -177.1 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1903 | L | 25 | Very low | 26.1 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 71% | 0.707 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 143.3 | 167.7 | -84.1 | 155.1 | 0 | 0 | 0 | 109.8 | T1901 D1907 | T1901-L1903 PolarHBondContact O-N 3.08Å; L1903-D1907 HydrophobicContact CD2-CB 3.83Å |
| 1904 | S | 29.2 | Very low | 26.2 | Very low | 54 Ų | 54 | 139.5 Ų | 139.5 | 38% | 0.378 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -83.6 | 163.3 | -173.8 | 78.4 | 0 | 0 | 0 | 0 | 112.5 | K1906 D1907 M1908 | S1904-K1906 PolarHBondContact O-N 2.8Å; S1904-K1906 VanDerWaalsContact O-N 3.14Å; S1904-K1906 WeakPolarHBondContact OG-CB 3.38Å; S1904-K1906 PolarHBondContact OG-N 2.86Å; S1904-D1907 WeakPolarHBondContact CA-OD2 3.35Å; S1904-D1907 VanDerWaalsContact CB-OD2 3.27Å; S1904-D1907 WeakPolarHBondContact CB-OD2 3.35Å; S1904-D1907 PolarHBondContact N-OD2 3.09Å; S1904-D1907 PolarHBondContact O-N 3.28Å; S1904-D1907 VanDerWaalsContact OG-CG 3.31Å; S1904-D1907 PolarHBondContact OG-N 3.09Å; S1904-D1907 PolarHBondContact OG-OD2 2.92Å; S1904-M1908 PolarHBondContact O-N 3.16Å |
| 1905 | E | 28.5 | Very low | 26.1 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -57.1 | -27.1 | 171.5 | -66.5 | -172 | 117.2 | 0 | 0 | 112.8 | M1908 L1909 | E1905-M1908 PolarHBondContact O-N 2.92Å; E1905-L1909 PolarHBondContact O-N 3.31Å |
| 1906 | K | 30.6 | Very low | 26.1 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 74% | 0.735 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.7 | -34.4 | 177.4 | -130.4 | 179.6 | -176 | -177.1 | 0 | 112.2 | S1904 L1910 | S1904-K1906 PolarHBondContact O-N 2.8Å; S1904-K1906 VanDerWaalsContact O-N 3.14Å; S1904-K1906 WeakPolarHBondContact OG-CB 3.38Å; S1904-K1906 PolarHBondContact OG-N 2.86Å; K1906-L1910 PolarHBondContact O-N 2.67Å |
| 1907 | D | 30.2 | Very low | 26 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 40% | 0.401 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -75 | -37.5 | 174.7 | -47.7 | -57.1 | 0 | 0 | 0 | 110.1 | L1903 S1904 L1909 L1910 Y1911 | L1903-D1907 HydrophobicContact CD2-CB 3.83Å; S1904-D1907 WeakPolarHBondContact CA-OD2 3.35Å; S1904-D1907 VanDerWaalsContact CB-OD2 3.27Å; S1904-D1907 WeakPolarHBondContact CB-OD2 3.35Å; S1904-D1907 PolarHBondContact N-OD2 3.09Å; S1904-D1907 PolarHBondContact O-N 3.28Å; S1904-D1907 VanDerWaalsContact OG-CG 3.31Å; S1904-D1907 PolarHBondContact OG-N 3.09Å; S1904-D1907 PolarHBondContact OG-OD2 2.92Å; D1907-L1909 VanDerWaalsContact C-N 3.29Å; D1907-L1909 PolarHBondContact O-N 2.81Å; D1907-L1910 PolarHBondContact O-N 2.84Å; D1907-Y1911 WeakPolarHBondContact O-CB 3.35Å; D1907-Y1911 PolarHBondContact O-N 2.82Å |
| 1908 | M | 29.6 | Very low | 25.8 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -62.6 | -31 | 171.9 | -78 | -80.7 | -101 | 0 | 0 | 113.5 | S1904 E1905 R1912 | S1904-M1908 PolarHBondContact O-N 3.16Å; E1905-M1908 PolarHBondContact O-N 2.92Å; M1908-R1912 PolarHBondContact O-N 3.21Å; M1908-R1912 VanDerWaalsContact O-N 3.17Å |
| 1909 | L | 27.7 | Very low | 25.6 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 59% | 0.586 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.2 | -48.3 | 170.7 | -85.3 | 161.1 | 0 | 0 | 0 | 111.4 | E1905 D1907 Y1911 R1912 | E1905-L1909 PolarHBondContact O-N 3.31Å; D1907-L1909 VanDerWaalsContact C-N 3.29Å; D1907-L1909 PolarHBondContact O-N 2.81Å; L1909-Y1911 VanDerWaalsContact C-N 3.27Å; L1909-Y1911 PolarHBondContact O-N 2.89Å; L1909-R1912 VanDerWaalsContact O-CB 3.31Å; L1909-R1912 WeakPolarHBondContact O-CB 3.45Å; L1909-R1912 PolarHBondContact O-N 2.84Å |
| 1910 | L | 26.6 | Very low | 25.4 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 59% | 0.592 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.4 | -32.7 | 176.5 | -163.6 | 68.3 | 0 | 0 | 0 | 112.3 | K1906 D1907 R1912 T1914 | K1906-L1910 PolarHBondContact O-N 2.67Å; D1907-L1910 PolarHBondContact O-N 2.84Å; L1910-R1912 PolarHBondContact O-N 2.91Å; L1910-T1914 WeakPolarHBondContact O-CG2 3.37Å; L1910-T1914 PolarHBondContact O-N 3.33Å; L1910-T1914 PolarHBondContact O-OG1 2.87Å |
| 1911 | Y | 24.1 | Very low | 25.2 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 57% | 0.569 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.8 | -9.3 | 173.1 | -148.4 | -93.5 | 0 | 0 | 0 | 113.7 | D1907 L1909 L1915 | D1907-Y1911 WeakPolarHBondContact O-CB 3.35Å; D1907-Y1911 PolarHBondContact O-N 2.82Å; L1909-Y1911 VanDerWaalsContact C-N 3.27Å; L1909-Y1911 PolarHBondContact O-N 2.89Å; Y1911-L1915 HydrophobicContact CD1-CD1 3.98Å; Y1911-L1915 HydrophobicContact CE1-CD1 3.42Å; Y1911-L1915 VanDerWaalsContact CE1-CD1 3.42Å |
| 1912 | R | 25.7 | Very low | 24.9 | Very low | 182 Ų | 182 | 125.6 Ų | 125.6 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -91.3 | -27.4 | 177.3 | -161.3 | 173.5 | -170.4 | 159.7 | 4.3 | 112.9 | M1908 L1909 L1910 | M1908-R1912 PolarHBondContact O-N 3.21Å; M1908-R1912 VanDerWaalsContact O-N 3.17Å; L1909-R1912 VanDerWaalsContact O-CB 3.31Å; L1909-R1912 WeakPolarHBondContact O-CB 3.45Å; L1909-R1912 PolarHBondContact O-N 2.84Å; L1910-R1912 PolarHBondContact O-N 2.91Å |
| 1913 | E | 24.3 | Very low | 24.6 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -91.5 | -30.4 | -179 | -62.4 | -172.8 | 157.2 | 0 | 0 | 113.1 | ||
| 1914 | T | 25.3 | Very low | 24.3 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 47% | 0.466 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -81.1 | -26.3 | -169.9 | 43.6 | 0 | 0 | 0 | 0 | 115.5 | L1910 A1916 | L1910-T1914 WeakPolarHBondContact O-CG2 3.37Å; L1910-T1914 PolarHBondContact O-N 3.33Å; L1910-T1914 PolarHBondContact O-OG1 2.87Å; T1914-A1916 PolarHBondContact O-N 3.12Å |
| 1915 | L | 23.3 | Very low | 23.7 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 42% | 0.424 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -88.6 | 6.6 | -173.8 | -89.3 | 165.1 | 0 | 0 | 0 | 115.5 | Y1911 Q1917 | Y1911-L1915 HydrophobicContact CD1-CD1 3.98Å; Y1911-L1915 HydrophobicContact CE1-CD1 3.42Å; Y1911-L1915 VanDerWaalsContact CE1-CD1 3.42Å; L1915-Q1917 PolarHBondContact O-N 2.9Å |
| 1916 | A | 22.2 | Very low | 23.3 | Very low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -71.5 | -11.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1914 | T1914-A1916 PolarHBondContact O-N 3.12Š|
| 1917 | Q | 23.1 | Very low | 22.7 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -94.8 | 11.6 | -173.2 | -63.5 | -173.4 | -50.7 | 0 | 0 | 115 | L1915 E1919 | L1915-Q1917 PolarHBondContact O-N 2.9Å; Q1917-E1919 PolarHBondContact O-N 3.37Å |
| 1918 | R | 20.7 | Very low | 22.3 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | trans | -98.3 | 79.9 | 179 | -96.6 | -174.9 | 158.6 | 151.1 | -4.9 | 112.8 | E1729 G1920 | E1729-R1918 IonicContact OE1-CZ 3.86Å; E1729-R1918 IonicContact OE1-NE 3.67Å; E1729-R1918 IonicContact OE1-NH2 3.33Å; E1729-R1918 PolarHBondContact OE1-NH2 2.83Å; R1918-G1920 PolarHBondContact O-N 2.8Å | ||
| 1919 | E | 20.4 | Very low | 21.9 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 57% | 0.57 | 69% | 0.685 | S | S | * | * | trans | -86.3 | 81.1 | 172.4 | -64 | -170.9 | 154.5 | 0 | 0 | 111.6 | R1804 Q1917 | R1804-E1919 IonicContact CZ-OE2 3.44Å; R1804-E1919 IonicContact NE-OE2 3.69Å; R1804-E1919 PolarHBondContact NH1-O 3.02Å; R1804-E1919 PolarHBondContact NH2-O 3.15Å; R1804-E1919 VanDerWaalsContact NH2-O 3.16Å; R1804-E1919 IonicContact NH2-OE2 3.57Å; R1804-E1919 PolarHBondContact NH2-OE2 2.82Å; Q1917-E1919 PolarHBondContact O-N 3.37Å | ||
| 1920 | G | 19.8 | Very low | 21.5 | Very low | 61 Ų | 61 | 137.9 Ų | 137.9 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | -83.7 | 160.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1918 | R1918-G1920 PolarHBondContact O-N 2.8Š| ||
| 1921 | L | 19.8 | Very low | 21.3 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 69% | 0.694 | S | S | * | * | trans | -59.5 | 136.9 | 174.5 | -88.7 | 63.9 | 0 | 0 | 0 | 111.9 | ||||
| 1922 | L | 20.1 | Very low | 21.4 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | trans | -118.2 | 130.2 | 166.2 | -173.4 | 67.9 | 0 | 0 | 0 | 110.2 | ||||
| 1923 | Y | 20.2 | Very low | 21.3 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | trans | -83.2 | 121.7 | 167 | -83.7 | -100.7 | 0 | 0 | 0 | 109.5 | C1925 | Y1923-C1925 VanDerWaalsContact C-N 3.29Å; Y1923-C1925 PolarHBondContact O-N 2.78Å | ||
| 1924 | L | 18.2 | Very low | 21.6 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 90% | 0.895 | 68% | 0.684 | S | S | * | * | trans | -79.2 | 79.4 | 166.8 | -81.5 | 167.4 | 0 | 0 | 0 | 110 | ||||
| 1925 | C | 18.1 | Very low | 21.7 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | trans | -119.4 | 118 | 174.4 | -71.7 | 0 | 0 | 0 | 0 | 111 | Y1923 | Y1923-C1925 VanDerWaalsContact C-N 3.29Å; Y1923-C1925 PolarHBondContact O-N 2.78Å | ||
| 1926 | Y | 19.5 | Very low | 21.9 | Very low | 213 Ų | 213 | 133 Ų | 133 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | trans | 43.2 | 114.2 | 156.7 | -75 | -88.9 | 0 | 0 | 0 | 119.9 | H1928 | Y1926-H1928 PolarHBondContact O-N 2.04Å; Y1926-H1928 VanDerWaalsContact O-N 3.14Å | ||
| 1927 | Y | 18.5 | Very low | 22.3 | Very low | 238 Ų | 238 | 133.2 Ų | 133.2 | 93% | 0.933 | 68% | 0.682 | S | S | * | * | trans | -71.1 | 102.7 | 158.8 | -150.4 | -89 | 0 | 0 | 0 | 109.7 | ||||
| 1928 | H | 20.8 | Very low | 22.5 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -112 | 120.8 | -179.5 | -140.7 | -48.4 | 0 | 0 | 0 | 110.2 | Y1926 A1930 | Y1926-H1928 PolarHBondContact O-N 2.04Å; Y1926-H1928 VanDerWaalsContact O-N 3.14Å; H1928-A1930 PolarHBondContact O-N 3.12Å | ||
| 1929 | P | 21.1 | Very low | 22.8 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | trans | -69.8 | 105 | 176.5 | 26.4 | -33 | 0 | 0 | 0 | 110.3 | K1931 | P1929-K1931 PolarHBondContact O-N 3.34Š| ||
| 1930 | A | 20.6 | Very low | 23.1 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 59% | 0.587 | 67% | 0.673 | S | S | * | * | trans | -71.8 | 87.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1928 G1932 I1933 | H1928-A1930 PolarHBondContact O-N 3.12Å; A1930-G1932 PolarHBondContact O-N 3.11Å; A1930-I1933 HydrophobicContact CB-CD1 4Å; A1930-I1933 HydrophobicContact CB-CG1 4.31Å | ||
| 1931 | K | 21.4 | Very low | 23.3 | Very low | 179 Ų | 179 | 127 Ų | 127 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 104.3 | 169.1 | -73.6 | 170.9 | 178.4 | 163.5 | 0 | 109.5 | P1929 E2001 | P1929-K1931 PolarHBondContact O-N 3.34Å; K1931-E2001 IonicContact NZ-OE1 3.16Å; K1931-E2001 PolarHBondContact NZ-OE1 3.05Å |
| 1932 | G | 26.8 | Very low | 23.5 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.7 | 24.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | A1930 D1934 | A1930-G1932 PolarHBondContact O-N 3.11Å; G1932-D1934 PolarHBondContact O-N 3.18Å |
| 1933 | I | 23.5 | Very low | 23.7 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 49% | 0.487 | 67% | 0.67 | S | S | . | * | trans | -73.7 | 115.8 | 166.1 | -61.3 | 178.4 | 0 | 0 | 0 | 109.2 | A1930 Y1935 | A1930-I1933 HydrophobicContact CB-CD1 4Å; A1930-I1933 HydrophobicContact CB-CG1 4.31Å; I1933-Y1935 HydrophobicContact CB-CE2 4.47Å; I1933-Y1935 HydrophobicContact CG2-CD1 4.22Å; I1933-Y1935 HydrophobicContact CG2-CE1 4.06Å; I1933-Y1935 WeakPolarHBondContact O-CD2 3.08Å; I1933-Y1935 PolarHBondContact O-N 3.01Å | ||
| 1934 | D | 29.4 | Very low | 24 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 50% | 0.503 | 67% | 0.669 | S | S | . | * | trans | -85.5 | 91.1 | 174.4 | -172.8 | -13.6 | 0 | 0 | 0 | 110.5 | G1932 T1936 T1937 | G1932-D1934 PolarHBondContact O-N 3.18Å; D1934-T1936 VanDerWaalsContact CG-OG1 3.3Å; D1934-T1936 PolarHBondContact O-N 3.47Å; D1934-T1936 WeakPolarHBondContact OD1-CB 3.37Å; D1934-T1936 WeakPolarHBondContact OD1-CG2 3.03Å; D1934-T1936 PolarHBondContact OD1-N 3.36Å; D1934-T1936 VanDerWaalsContact OD1-N 3.09Å; D1934-T1936 PolarHBondContact OD1-OG1 2.81Å; D1934-T1936 PolarHBondContact OD2-OG1 3.17Å; D1934-T1937 PolarHBondContact O-N 3.32Å; D1934-T1937 PolarHBondContact O-OG1 2.03Å | ||
| 1935 | Y | 27.5 | Very low | 24.2 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 46% | 0.463 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.1 | -16 | -179 | -62.4 | -80.3 | 0 | 0 | 0 | 114.4 | I1933 T1937 S1938 P1982 | I1933-Y1935 HydrophobicContact CB-CE2 4.47Å; I1933-Y1935 HydrophobicContact CG2-CD1 4.22Å; I1933-Y1935 HydrophobicContact CG2-CE1 4.06Å; I1933-Y1935 WeakPolarHBondContact O-CD2 3.08Å; I1933-Y1935 PolarHBondContact O-N 3.01Å; Y1935-T1937 PolarHBondContact O-N 3.03Å; Y1935-S1938 PolarHBondContact O-N 3.32Å; Y1935-P1982 HydrophobicContact CE2-CG 3.98Å |
| 1936 | T | 29 | Very low | 24.6 | Very low | 92 Ų | 92 | 127 Ų | 127 | 56% | 0.564 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -27.9 | 174.3 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | D1934 | D1934-T1936 VanDerWaalsContact CG-OG1 3.3Å; D1934-T1936 PolarHBondContact O-N 3.47Å; D1934-T1936 WeakPolarHBondContact OD1-CB 3.37Å; D1934-T1936 WeakPolarHBondContact OD1-CG2 3.03Å; D1934-T1936 PolarHBondContact OD1-N 3.36Å; D1934-T1936 VanDerWaalsContact OD1-N 3.09Å; D1934-T1936 PolarHBondContact OD1-OG1 2.81Å; D1934-T1936 PolarHBondContact OD2-OG1 3.17Å |
| 1937 | T | 29.5 | Very low | 24.8 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 57% | 0.571 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -28.4 | 176.8 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | D1934 Y1935 I1939 L1940 | D1934-T1937 PolarHBondContact O-N 3.32Å; D1934-T1937 PolarHBondContact O-OG1 2.03Å; Y1935-T1937 PolarHBondContact O-N 3.03Å; T1937-I1939 VanDerWaalsContact C-N 3.3Å; T1937-I1939 PolarHBondContact O-N 3.46Å; T1937-L1940 PolarHBondContact O-N 3.03Å |
| 1938 | S | 27.5 | Very low | 25.4 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -67.4 | -28.7 | -178.8 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | Y1935 | Y1935-S1938 PolarHBondContact O-N 3.32Š|
| 1939 | I | 27.4 | Very low | 25.8 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 45% | 0.451 | 67% | 0.665 | S | S | . | * | G | 310 helix | trans | -77.1 | -22.5 | -179.5 | -60.6 | 177.2 | 0 | 0 | 0 | 111.7 | T1937 I1950 I1955 | T1937-I1939 VanDerWaalsContact C-N 3.3Å; T1937-I1939 PolarHBondContact O-N 3.46Å; I1939-I1950 HydrophobicContact CG2-CD1 4.07Å; I1939-I1955 HydrophobicContact CD1-CD1 4.22Å |
| 1940 | L | 25.7 | Very low | 26.6 | Very low | 151 Ų | 151 | 118 Ų | 118 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -91.7 | 8.4 | -174.2 | -83.7 | 160.3 | 0 | 0 | 0 | 115 | T1937 | T1937-L1940 PolarHBondContact O-N 3.03Š|
| 1941 | G | 24.1 | Very low | 27.9 | Very low | 66 Ų | 66 | 117.1 Ų | 117.1 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | trans | -74.1 | -30.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1942 | T | 25.3 | Very low | 29.5 | Very low | 102 Ų | 102 | 115.4 Ų | 115.4 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -83.7 | 129.7 | -179.4 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | Y1944 | T1942-Y1944 PolarHBondContact O-N 2.92Š|
| 1943 | R | 24 | Very low | 31 | Very low | 216 Ų | 216 | 119.9 Ų | 119.9 | 82% | 0.815 | 64% | 0.637 | S | S | * | * | trans | -72.2 | 40.1 | -178.9 | -68.4 | -173.5 | 175.9 | 179.2 | -0.2 | 115.3 | S1945 | R1943-S1945 PolarHBondContact O-N 3.34Š| ||
| 1944 | Y | 26.3 | Very low | 32.6 | Very low | 194 Ų | 194 | 118.5 Ų | 118.5 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | trans | -86.6 | 90.2 | 162.6 | -76.3 | -76.4 | 0 | 0 | 0 | 108.8 | T1942 I1946 | T1942-Y1944 PolarHBondContact O-N 2.92Å; Y1944-I1946 PolarHBondContact O-N 3.39Å | ||
| 1945 | S | 22.7 | Very low | 33.9 | Very low | 122 Ų | 122 | 116 Ų | 116 | 85% | 0.853 | 62% | 0.617 | S | S | * | * | trans | -72.5 | 44 | 178.5 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | R1943 | R1943-S1945 PolarHBondContact O-N 3.34Š| ||
| 1946 | I | 26.5 | Very low | 35.6 | Very low | 125 Ų | 125 | 113.8 Ų | 113.8 | 64% | 0.641 | 61% | 0.613 | S | S | * | * | trans | -95.5 | 96.8 | 166.8 | -61 | 179.8 | 0 | 0 | 0 | 106.2 | Y1944 Q1948 | Y1944-I1946 PolarHBondContact O-N 3.39Å; I1946-Q1948 VanDerWaalsContact C-N 3.29Å; I1946-Q1948 HydrophobicContact CG2-CG 4.25Å; I1946-Q1948 PolarHBondContact O-N 2.88Å | ||
| 1947 | S | 23.9 | Very low | 37.3 | Very low | 118 Ų | 118 | 115.4 Ų | 115.4 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | trans | -72.7 | 80.8 | -179.6 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1948 | Q | 29.9 | Very low | 39 | Very low | 154 Ų | 154 | 113.4 Ų | 113.4 | 72% | 0.72 | 60% | 0.599 | S | S | * | * | trans | -101.1 | 126.1 | 162.4 | -76 | 177.4 | -30.3 | 0 | 0 | 108.6 | I1946 I1950 | I1946-Q1948 VanDerWaalsContact C-N 3.29Å; I1946-Q1948 HydrophobicContact CG2-CG 4.25Å; I1946-Q1948 PolarHBondContact O-N 2.88Å; Q1948-I1950 VanDerWaalsContact C-N 3.29Å; Q1948-I1950 PolarHBondContact O-N 2.92Å | ||
| 1949 | N | 30.4 | Very low | 40.8 | Very low | 161 Ų | 161 | 109.8 Ų | 109.8 | 86% | 0.861 | 57% | 0.574 | S | S | * | * | trans | -73.3 | 86.8 | 175.1 | -74.1 | -18.5 | 0 | 0 | 0 | 108.7 | S1951 | N1949-S1951 PolarHBondContact O-N 3.38Š| ||
| 1950 | I | 37.5 | Very low | 42.5 | Very low | 83 Ų | 83 | 114 Ų | 114 | 43% | 0.426 | 58% | 0.584 | S | S | . | * | trans | -58.3 | 106.2 | 170.3 | -63.7 | 176 | 0 | 0 | 0 | 107.2 | I1939 Q1948 D1954 I1955 | I1939-I1950 HydrophobicContact CG2-CD1 4.07Å; Q1948-I1950 VanDerWaalsContact C-N 3.29Å; Q1948-I1950 PolarHBondContact O-N 2.92Å; I1950-D1954 HydrophobicContact CB-CB 4.49Å; I1950-D1954 HydrophobicContact CG2-CB 3.8Å; I1950-I1955 HydrophobicContact CG2-CG1 3.74Å | ||
| 1951 | S | 48.4 | Very low | 44.3 | Very low | 53 Ų | 53 | 113.7 Ų | 113.7 | 37% | 0.371 | 58% | 0.583 | S | S | . | * | trans | -82.1 | 169.4 | 176.8 | 76 | 0 | 0 | 0 | 0 | 110.6 | N1949 K1953 D1954 I1955 | N1949-S1951 PolarHBondContact O-N 3.38Å; S1951-K1953 PolarHBondContact O-N 3.48Å; S1951-K1953 VanDerWaalsContact O-N 3.13Å; S1951-K1953 PolarHBondContact OG-N 3.38Å; S1951-D1954 WeakPolarHBondContact CA-OD2 3.38Å; S1951-D1954 VanDerWaalsContact CB-OD2 3.23Å; S1951-D1954 WeakPolarHBondContact CB-OD2 3.41Å; S1951-D1954 PolarHBondContact N-OD2 3.43Å; S1951-D1954 WeakPolarHBondContact O-CB 3.36Å; S1951-D1954 PolarHBondContact O-N 2.83Å; S1951-D1954 PolarHBondContact OG-OD2 3.25Å; S1951-I1955 PolarHBondContact O-N 3.48Å; S1951-I1955 VanDerWaalsContact O-N 3.12Å | ||
| 1952 | E | 54.3 | Low | 46.4 | Very low | 143 Ų | 143 | 111.9 Ų | 111.9 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.4 | -28.4 | 175.4 | -168.2 | 170.5 | -162.7 | 0 | 0 | 112.5 | D1956 | E1952-D1956 PolarHBondContact O-N 3.31Å |
| 1953 | K | 58.9 | Low | 48.3 | Very low | 169 Ų | 169 | 109.3 Ų | 109.3 | 74% | 0.735 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.7 | -41.7 | 171.5 | -72.4 | -173.3 | 172.5 | -173.6 | 0 | 112.9 | S1951 I1955 D1956 E1957 | S1951-K1953 PolarHBondContact O-N 3.48Å; S1951-K1953 VanDerWaalsContact O-N 3.13Å; S1951-K1953 PolarHBondContact OG-N 3.38Å; K1953-I1955 VanDerWaalsContact C-N 3.28Å; K1953-I1955 PolarHBondContact O-N 3.17Å; K1953-D1956 PolarHBondContact O-N 3.34Å; K1953-E1957 WeakPolarHBondContact O-CB 3.48Å; K1953-E1957 PolarHBondContact O-N 2.94Å |
| 1954 | D | 57.5 | Low | 51 | Low | 67 Ų | 67 | 99.8 Ų | 99.8 | 36% | 0.358 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -33.4 | -179.5 | -55.2 | -76.6 | 0 | 0 | 0 | 110.3 | I1950 S1951 E1957 I1958 | I1950-D1954 HydrophobicContact CB-CB 4.49Å; I1950-D1954 HydrophobicContact CG2-CB 3.8Å; S1951-D1954 WeakPolarHBondContact CA-OD2 3.38Å; S1951-D1954 VanDerWaalsContact CB-OD2 3.23Å; S1951-D1954 WeakPolarHBondContact CB-OD2 3.41Å; S1951-D1954 PolarHBondContact N-OD2 3.43Å; S1951-D1954 WeakPolarHBondContact O-CB 3.36Å; S1951-D1954 PolarHBondContact O-N 2.83Å; S1951-D1954 PolarHBondContact OG-OD2 3.25Å; D1954-E1957 PolarHBondContact O-N 3.13Å; D1954-I1958 WeakPolarHBondContact O-CB 3.19Å; D1954-I1958 WeakPolarHBondContact O-CD1 3.34Å; D1954-I1958 VanDerWaalsContact O-CG1 3.24Å; D1954-I1958 WeakPolarHBondContact O-CG1 3.42Å; D1954-I1958 PolarHBondContact O-N 2.04Å |
| 1955 | I | 55.9 | Low | 53.2 | Low | 42 Ų | 42 | 90.8 Ų | 90.8 | 22% | 0.215 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 171.3 | -58.7 | 176.7 | 0 | 0 | 0 | 111 | I1939 I1950 S1951 K1953 E1957 I1958 A1959 F1969 | I1939-I1955 HydrophobicContact CD1-CD1 4.22Å; I1950-I1955 HydrophobicContact CG2-CG1 3.74Å; S1951-I1955 PolarHBondContact O-N 3.48Å; S1951-I1955 VanDerWaalsContact O-N 3.12Å; K1953-I1955 VanDerWaalsContact C-N 3.28Å; K1953-I1955 PolarHBondContact O-N 3.17Å; I1955-E1957 VanDerWaalsContact C-N 3.32Å; I1955-E1957 PolarHBondContact O-N 3.12Å; I1955-I1958 PolarHBondContact O-N 3.34Å; I1955-A1959 WeakPolarHBondContact O-CB 3.33Å; I1955-A1959 PolarHBondContact O-N 3.15Å; I1955-F1969 HydrophobicContact CG2-CD1 3.52Å; I1955-F1969 HydrophobicContact CG2-CE1 3.95Å |
| 1956 | D | 62.9 | Low | 55.7 | Low | 70 Ų | 70 | 90.1 Ų | 90.1 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -31.2 | 176.1 | -79.9 | -18 | 0 | 0 | 0 | 112.6 | E1952 K1953 R1960 K1981 | E1952-D1956 PolarHBondContact O-N 3.31Å; K1953-D1956 PolarHBondContact O-N 3.34Å; D1956-R1960 WeakPolarHBondContact O-CB 3.35Å; D1956-R1960 PolarHBondContact O-N 3.04Å; D1956-K1981 VanDerWaalsContact OD1-CE 3.24Å; D1956-K1981 WeakPolarHBondContact OD1-CE 3.25Å; D1956-K1981 IonicContact OD1-NZ 3.21Å; D1956-K1981 PolarHBondContact OD1-NZ 3.08Å; D1956-K1981 IonicContact OD2-NZ 2.76Å; D1956-K1981 PolarHBondContact OD2-NZ 3.34Å |
| 1957 | E | 64.9 | Low | 58.1 | Low | 126 Ų | 126 | 86.9 Ų | 86.9 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72.9 | -37.8 | 174.7 | -170.1 | 144.4 | -147.5 | 0 | 0 | 111.7 | K1953 D1954 I1955 R1960 L1961 | K1953-E1957 WeakPolarHBondContact O-CB 3.48Å; K1953-E1957 PolarHBondContact O-N 2.94Å; D1954-E1957 PolarHBondContact O-N 3.13Å; I1955-E1957 VanDerWaalsContact C-N 3.32Å; I1955-E1957 PolarHBondContact O-N 3.12Å; E1957-R1960 PolarHBondContact O-N 2.56Å; E1957-L1961 WeakPolarHBondContact O-CB 3.3Å; E1957-L1961 WeakPolarHBondContact O-CG 3.36Å; E1957-L1961 PolarHBondContact O-N 2.99Å |
| 1958 | I | 65.5 | Low | 60.5 | Low | 52 Ų | 52 | 81.3 Ų | 81.3 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 169.2 | -69.6 | 162.6 | 0 | 0 | 0 | 111 | D1954 I1955 R1960 L1961 C1962 C1970 L1972 | D1954-I1958 WeakPolarHBondContact O-CB 3.19Å; D1954-I1958 WeakPolarHBondContact O-CD1 3.34Å; D1954-I1958 VanDerWaalsContact O-CG1 3.24Å; D1954-I1958 WeakPolarHBondContact O-CG1 3.42Å; D1954-I1958 PolarHBondContact O-N 2.04Å; I1955-I1958 PolarHBondContact O-N 3.34Å; I1958-R1960 VanDerWaalsContact C-N 3.29Å; I1958-R1960 PolarHBondContact O-N 2.76Å; I1958-L1961 PolarHBondContact O-N 2.92Å; I1958-C1962 PolarHBondContact O-N 2.92Å; I1958-C1962 VanDerWaalsContact O-N 3.11Å; I1958-C1962 PolarHBondContact O-SG 2.86Å; I1958-C1970 HydrophobicContact CG2-CB 4.19Å; I1958-L1972 HydrophobicContact CG2-CD1 3.93Å; I1958-L1972 HydrophobicContact CG2-CG 4.28Å |
| 1959 | A | 65.6 | Low | 62.4 | Low | 4 Ų | 4 | 76.5 Ų | 76.5 | 3% | 0.033 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1955 C1962 G1963 C1964 A1968 | I1955-A1959 WeakPolarHBondContact O-CB 3.33Å; I1955-A1959 PolarHBondContact O-N 3.15Å; A1959-C1962 PolarHBondContact O-N 2.88Å; A1959-G1963 PolarHBondContact O-N 2.95Å; A1959-C1964 HydrophobicContact CB-CB 4.46Å; A1959-C1964 WeakPolarHBondContact O-CB 3.15Å; A1959-C1964 PolarHBondContact O-N 3.13Å; A1959-A1968 WeakPolarHBondContact CB-O 3.04Å |
| 1960 | R | 63.2 | Low | 63.9 | Low | 176 Ų | 176 | 69.6 Ų | 69.6 | 66% | 0.664 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.6 | -40.1 | 175.7 | -169.7 | 178.7 | -178.3 | 94.6 | 10.2 | 112.8 | D1956 E1957 I1958 C1962 G1963 | D1956-R1960 WeakPolarHBondContact O-CB 3.35Å; D1956-R1960 PolarHBondContact O-N 3.04Å; E1957-R1960 PolarHBondContact O-N 2.56Å; I1958-R1960 VanDerWaalsContact C-N 3.29Å; I1958-R1960 PolarHBondContact O-N 2.76Å; R1960-C1962 VanDerWaalsContact C-N 3.27Å; R1960-C1962 PolarHBondContact O-N 3.04Å; R1960-G1963 PolarHBondContact O-N 3.19Å; R1960-G1963 VanDerWaalsContact O-N 3.12Å |
| 1961 | L | 61.9 | Low | 65 | Low | 144 Ų | 144 | 69.6 Ų | 69.6 | 75% | 0.754 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.6 | -32.8 | 176.7 | -81.5 | 163.2 | 0 | 0 | 0 | 112.7 | E1957 I1958 G1963 | E1957-L1961 WeakPolarHBondContact O-CB 3.3Å; E1957-L1961 WeakPolarHBondContact O-CG 3.36Å; E1957-L1961 PolarHBondContact O-N 2.99Å; I1958-L1961 PolarHBondContact O-N 2.92Å; L1961-G1963 VanDerWaalsContact C-N 3.32Å |
| 1962 | C | 68.4 | Low | 64.8 | Low | 28 Ų | 28 | 73.5 Ų | 73.5 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -9.2 | 175 | -63 | 0 | 0 | 0 | 0 | 114.7 | I1958 A1959 R1960 C1970 L1972 A1976 | I1958-C1962 PolarHBondContact O-N 2.92Å; I1958-C1962 VanDerWaalsContact O-N 3.11Å; I1958-C1962 PolarHBondContact O-SG 2.86Å; A1959-C1962 PolarHBondContact O-N 2.88Å; R1960-C1962 VanDerWaalsContact C-N 3.27Å; R1960-C1962 PolarHBondContact O-N 3.04Å; C1962-C1970 HydrophobicContact CB-CB 3.45Å; C1962-C1970 VanDerWaalsContact CB-CB 3.45Å; C1962-C1970 WeakPolarHBondContact CB-SG 3.16Å; C1962-C1970 WeakPolarHBondContact SG-CB 3.33Å; C1962-C1970 CovalentContact SG-SG 2.02Å; C1962-C1970 PolarHBondContact SG-SG 3.45Å; C1962-L1972 VanDerWaalsContact SG-CD2 3.6Å; C1962-A1976 HydrophobicContact CB-CB 3.84Å |
| 1963 | G | 65.5 | Low | 64.4 | Low | 48 Ų | 48 | 71.4 Ų | 71.4 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 35.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1959 R1960 L1961 | A1959-G1963 PolarHBondContact O-N 2.95Å; R1960-G1963 PolarHBondContact O-N 3.19Å; R1960-G1963 VanDerWaalsContact O-N 3.12Å; L1961-G1963 VanDerWaalsContact C-N 3.32Å |
| 1964 | C | 80.2 | Confident | 63.4 | Low | 16 Ų | 16 | 71 Ų | 71 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 160.6 | 173.5 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | A1959 A1968 C1978 | A1959-C1964 HydrophobicContact CB-CB 4.46Å; A1959-C1964 WeakPolarHBondContact O-CB 3.15Å; A1959-C1964 PolarHBondContact O-N 3.13Å; C1964-A1968 HydrophobicContact CB-CB 3.96Å; C1964-C1978 WeakPolarHBondContact CA-SG 3.23Å; C1964-C1978 HydrophobicContact CB-CB 3.57Å; C1964-C1978 WeakPolarHBondContact CB-SG 3.09Å; C1964-C1978 VanDerWaalsContact SG-CA 3.55Å; C1964-C1978 WeakPolarHBondContact SG-CB 2.99Å; C1964-C1978 CovalentContact SG-SG 2.03Å; C1964-C1978 PolarHBondContact SG-SG 2.76Å |
| 1965 | A | 73 | Confident | 62.3 | Low | 6 Ų | 6 | 76 Ų | 76 | 5% | 0.05 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -67 | 155.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1967 A1968 G1988 R1989 | A1965-N1967 PolarHBondContact O-N 2.9Å; A1965-A1968 HydrophobicContact CB-CB 4.44Å; A1965-A1968 VanDerWaalsContact O-CB 3.29Å; A1965-A1968 WeakPolarHBondContact O-CB 3.37Å; A1965-A1968 PolarHBondContact O-N 2.92Å; A1965-G1988 VanDerWaalsContact CB-O 3.28Å; A1965-G1988 WeakPolarHBondContact CB-O 3.27Å; A1965-G1988 PolarHBondContact N-O 2.9Å; A1965-R1989 PolarHBondContact N-O 3.49Å |
| 1966 | P | 75.6 | Confident | 61.8 | Low | 108 Ų | 108 | 76 Ų | 76 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 133.1 | 166 | -21 | 33.1 | 0 | 0 | 0 | 110.3 | A1968 | P1966-A1968 VanDerWaalsContact C-N 3.34Š|
| 1967 | N | 78 | Confident | 61.2 | Low | 56 Ų | 56 | 77.6 Ų | 77.6 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 32.9 | -167.2 | -46.2 | -70.9 | 0 | 0 | 0 | 114.5 | A1965 C1980 K1981 Y1984 C1992 | A1965-N1967 PolarHBondContact O-N 2.9Å; N1967-C1980 CarbonylContact O-C 3.51Å; N1967-C1980 WeakPolarHBondContact O-CA 3.39Å; N1967-K1981 HydrophobicContact CB-CD 4.46Å; N1967-K1981 HydrophobicContact CB-CG 4.46Å; N1967-K1981 WeakPolarHBondContact O-CG 3.47Å; N1967-K1981 PolarHBondContact O-N 3.12Å; N1967-Y1984 HydrophobicContact CB-CD1 3.66Å; N1967-Y1984 HydrophobicContact CB-CD2 3.82Å; N1967-Y1984 HydrophobicContact CB-CE1 3.74Å; N1967-Y1984 HydrophobicContact CB-CE2 3.88Å; N1967-Y1984 HydrophobicContact CB-CG 3.73Å; N1967-Y1984 VanDerWaalsContact CG-CE1 3.44Å; N1967-Y1984 VanDerWaalsContact ND2-CE1 3.33Å; N1967-Y1984 WeakPolarHBondContact ND2-CE1 3.33Å; N1967-Y1984 PolarHBondContact OD1-OH 3Å; N1967-C1992 HydrophobicContact CB-CB 4.24Å; N1967-C1992 WeakPolarHBondContact O-CB 3.39Å; N1967-C1992 PolarHBondContact O-SG 2.95Å |
| 1968 | A | 74.1 | Confident | 61.4 | Low | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 164 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1959 C1964 A1965 P1966 I1979 G1988 | A1959-A1968 WeakPolarHBondContact CB-O 3.04Å; C1964-A1968 HydrophobicContact CB-CB 3.96Å; A1965-A1968 HydrophobicContact CB-CB 4.44Å; A1965-A1968 VanDerWaalsContact O-CB 3.29Å; A1965-A1968 WeakPolarHBondContact O-CB 3.37Å; A1965-A1968 PolarHBondContact O-N 2.92Å; P1966-A1968 VanDerWaalsContact C-N 3.34Å; A1968-I1979 CarbonylContact C-O 3.59Å; A1968-I1979 WeakPolarHBondContact CA-O 3.4Å; A1968-I1979 WeakPolarHBondContact CB-O 3.45Å; A1968-G1988 WeakPolarHBondContact CB-O 3.36Å |
| 1969 | F | 68.7 | Low | 61.1 | Low | 54 Ų | 54 | 73.7 Ų | 73.7 | 24% | 0.237 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 150.6 | 162.1 | -53.3 | -60.2 | 0 | 0 | 0 | 109 | I1955 C1978 I1979 K1981 | I1955-F1969 HydrophobicContact CG2-CD1 3.52Å; I1955-F1969 HydrophobicContact CG2-CE1 3.95Å; F1969-C1978 WeakPolarHBondContact O-CA 3.3Å; F1969-I1979 PolarHBondContact N-O 3.23Å; F1969-I1979 PolarHBondContact O-N 3.29Å; F1969-K1981 HydrophobicContact CD1-CD 4.32Å; F1969-K1981 HydrophobicContact CD1-CG 3.96Å; F1969-K1981 HydrophobicContact CD2-CG 4.18Å; F1969-K1981 HydrophobicContact CE1-CD 3.75Å; F1969-K1981 VanDerWaalsContact CE1-CE 3.49Å; F1969-K1981 HydrophobicContact CE1-CG 3.64Å; F1969-K1981 HydrophobicContact CE2-CB 4.23Å; F1969-K1981 HydrophobicContact CE2-CG 3.86Å; F1969-K1981 HydrophobicContact CG-CG 4.25Å; F1969-K1981 HydrophobicContact CZ-CB 4.19Å; F1969-K1981 HydrophobicContact CZ-CD 3.99Å; F1969-K1981 HydrophobicContact CZ-CG 3.59Å |
| 1970 | C | 62.2 | Low | 60.8 | Low | 15 Ų | 15 | 74.5 Ų | 74.5 | 10% | 0.101 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.6 | 167.2 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | I1958 C1962 E1977 | I1958-C1970 HydrophobicContact CG2-CB 4.19Å; C1962-C1970 HydrophobicContact CB-CB 3.45Å; C1962-C1970 VanDerWaalsContact CB-CB 3.45Å; C1962-C1970 WeakPolarHBondContact CB-SG 3.16Å; C1962-C1970 WeakPolarHBondContact SG-CB 3.33Å; C1962-C1970 CovalentContact SG-SG 2.02Å; C1962-C1970 PolarHBondContact SG-SG 3.45Å; C1970-E1977 CarbonylContact C-O 3.49Å; C1970-E1977 WeakPolarHBondContact CA-O 3.12Å |
| 1971 | L | 60.2 | Low | 60.9 | Low | 83 Ų | 83 | 67.1 Ų | 67.1 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 112 | 161.2 | -67 | 173.8 | 0 | 0 | 0 | 108.8 | N1973 E1977 I1979 | L1971-N1973 PolarHBondContact O-N 2.73Å; L1971-E1977 HydrophobicContact CB-CB 4.32Å; L1971-E1977 PolarHBondContact N-O 2.89Å; L1971-E1977 PolarHBondContact O-N 3.42Å; L1971-I1979 HydrophobicContact CD1-CD1 3.68Å |
| 1972 | L | 44.9 | Very low | 60.3 | Low | 135 Ų | 135 | 64.5 Ų | 64.5 | 71% | 0.707 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 74.9 | 177.4 | -75 | 166.4 | 0 | 0 | 0 | 111.2 | I1958 C1962 | I1958-L1972 HydrophobicContact CG2-CD1 3.93Å; I1958-L1972 HydrophobicContact CG2-CG 4.28Å; C1962-L1972 VanDerWaalsContact SG-CD2 3.6Å |
| 1973 | N | 46 | Very low | 59.2 | Low | 99 Ų | 99 | 65.2 Ų | 65.2 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -108.5 | -173.2 | 176.8 | -113.9 | -34.1 | 0 | 0 | 0 | 111.6 | L1971 Q1975 | L1971-N1973 PolarHBondContact O-N 2.73Å; N1973-Q1975 CarbonylContact C-O 3.44Å; N1973-Q1975 VanDerWaalsContact C-O 3.22Å; N1973-Q1975 CarbonylContact O-C 3.49Å; N1973-Q1975 PolarHBondContact O-N 3.09Å |
| 1974 | K | 37.1 | Very low | 58.9 | Low | 161 Ų | 161 | 66.6 Ų | 66.6 | 70% | 0.7 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -55.6 | -23.5 | -176.7 | -74.1 | -176.6 | 177.4 | 177.6 | 0 | 114.6 | ||
| 1975 | Q | 35.4 | Very low | 57.4 | Low | 171 Ų | 171 | 72.7 Ų | 72.7 | 80% | 0.799 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -122.8 | 147.4 | 147.1 | -75.2 | 178.6 | -35.7 | 0 | 0 | 106.6 | N1973 E1977 | N1973-Q1975 CarbonylContact C-O 3.44Å; N1973-Q1975 VanDerWaalsContact C-O 3.22Å; N1973-Q1975 CarbonylContact O-C 3.49Å; N1973-Q1975 PolarHBondContact O-N 3.09Å; Q1975-E1977 PolarHBondContact O-N 2.98Å |
| 1976 | A | 44.1 | Very low | 56.4 | Low | 43 Ų | 43 | 74.7 Ų | 74.7 | 36% | 0.355 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 114.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | C1962 | C1962-A1976 HydrophobicContact CB-CB 3.84Å |
| 1977 | E | 50.7 | Low | 55.4 | Low | 103 Ų | 103 | 73.8 Ų | 73.8 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.9 | -177 | -180 | 176.3 | -157.2 | 0 | 0 | 109.3 | C1970 L1971 Q1975 I1979 | C1970-E1977 CarbonylContact C-O 3.49Å; C1970-E1977 WeakPolarHBondContact CA-O 3.12Å; L1971-E1977 HydrophobicContact CB-CB 4.32Å; L1971-E1977 PolarHBondContact N-O 2.89Å; L1971-E1977 PolarHBondContact O-N 3.42Å; Q1975-E1977 PolarHBondContact O-N 2.98Å; E1977-I1979 HydrophobicContact CG-CD1 4.46Å; E1977-I1979 HydrophobicContact CG-CG1 4.22Å |
| 1978 | C | 69.5 | Low | 54.7 | Low | 18 Ų | 18 | 71.2 Ų | 71.2 | 12% | 0.122 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.5 | -176.3 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | C1964 F1969 G1988 R1989 | C1964-C1978 WeakPolarHBondContact CA-SG 3.23Å; C1964-C1978 HydrophobicContact CB-CB 3.57Å; C1964-C1978 WeakPolarHBondContact CB-SG 3.09Å; C1964-C1978 VanDerWaalsContact SG-CA 3.55Å; C1964-C1978 WeakPolarHBondContact SG-CB 2.99Å; C1964-C1978 CovalentContact SG-SG 2.03Å; C1964-C1978 PolarHBondContact SG-SG 2.76Å; F1969-C1978 WeakPolarHBondContact O-CA 3.3Å; C1978-G1988 VanDerWaalsContact CB-C 3.41Å; C1978-G1988 VanDerWaalsContact CB-O 3.24Å; C1978-G1988 WeakPolarHBondContact CB-O 3.41Å; C1978-R1989 HydrophobicContact CB-CB 4.33Å |
| 1979 | I | 59 | Low | 54.3 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.1 | -178 | -56.5 | -177.4 | 0 | 0 | 0 | 109.4 | A1968 F1969 L1971 E1977 | A1968-I1979 CarbonylContact C-O 3.59Å; A1968-I1979 WeakPolarHBondContact CA-O 3.4Å; A1968-I1979 WeakPolarHBondContact CB-O 3.45Å; F1969-I1979 PolarHBondContact N-O 3.23Å; F1969-I1979 PolarHBondContact O-N 3.29Å; L1971-I1979 HydrophobicContact CD1-CD1 3.68Å; E1977-I1979 HydrophobicContact CG-CD1 4.46Å; E1977-I1979 HydrophobicContact CG-CG1 4.22Å |
| 1980 | C | 59.2 | Low | 54.1 | Low | 22 Ų | 22 | 83.5 Ų | 83.5 | 15% | 0.149 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 140.7 | 179 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | N1967 C1992 | N1967-C1980 CarbonylContact O-C 3.51Å; N1967-C1980 WeakPolarHBondContact O-CA 3.39Å; C1980-C1992 WeakPolarHBondContact CA-SG 3.23Å; C1980-C1992 HydrophobicContact CB-CB 3.85Å; C1980-C1992 WeakPolarHBondContact CB-SG 3.38Å; C1980-C1992 VanDerWaalsContact SG-CA 3.52Å; C1980-C1992 WeakPolarHBondContact SG-CB 3.33Å; C1980-C1992 CovalentContact SG-SG 2.04Å; C1980-C1992 PolarHBondContact SG-SG 3.36Å |
| 1981 | K | 64.9 | Low | 53.7 | Low | 21 Ų | 21 | 86.4 Ų | 86.4 | 9% | 0.091 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 147.4 | 174.1 | -64.5 | -168.6 | -178.1 | -175.1 | 0 | 110 | D1956 N1967 F1969 G1983 Y1984 | D1956-K1981 VanDerWaalsContact OD1-CE 3.24Å; D1956-K1981 WeakPolarHBondContact OD1-CE 3.25Å; D1956-K1981 IonicContact OD1-NZ 3.21Å; D1956-K1981 PolarHBondContact OD1-NZ 3.08Å; D1956-K1981 IonicContact OD2-NZ 2.76Å; D1956-K1981 PolarHBondContact OD2-NZ 3.34Å; N1967-K1981 HydrophobicContact CB-CD 4.46Å; N1967-K1981 HydrophobicContact CB-CG 4.46Å; N1967-K1981 WeakPolarHBondContact O-CG 3.47Å; N1967-K1981 PolarHBondContact O-N 3.12Å; F1969-K1981 HydrophobicContact CD1-CD 4.32Å; F1969-K1981 HydrophobicContact CD1-CG 3.96Å; F1969-K1981 HydrophobicContact CD2-CG 4.18Å; F1969-K1981 HydrophobicContact CE1-CD 3.75Å; F1969-K1981 VanDerWaalsContact CE1-CE 3.49Å; F1969-K1981 HydrophobicContact CE1-CG 3.64Å; F1969-K1981 HydrophobicContact CE2-CB 4.23Å; F1969-K1981 HydrophobicContact CE2-CG 3.86Å; F1969-K1981 HydrophobicContact CG-CG 4.25Å; F1969-K1981 HydrophobicContact CZ-CB 4.19Å; F1969-K1981 HydrophobicContact CZ-CD 3.99Å; F1969-K1981 HydrophobicContact CZ-CG 3.59Å; K1981-G1983 PolarHBondContact O-N 3.41Å; K1981-Y1984 HydrophobicContact CB-CD2 4.16Å; K1981-Y1984 WeakPolarHBondContact O-CB 3.38Å; K1981-Y1984 PolarHBondContact O-N 3.32Å |
| 1982 | P | 50.3 | Low | 53.5 | Low | 89 Ų | 89 | 83.2 Ų | 83.2 | 58% | 0.578 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 132.9 | 174.3 | -28.9 | 35.5 | 0 | 0 | 0 | 112.6 | Y1935 | Y1935-P1982 HydrophobicContact CE2-CG 3.98Š|
| 1983 | G | 44.1 | Very low | 53.5 | Low | 43 Ų | 43 | 78.1 Ų | 78.1 | 44% | 0.443 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1981 I1995 | K1981-G1983 PolarHBondContact O-N 3.41Å; G1983-I1995 WeakPolarHBondContact O-CG1 3.22Å; G1983-I1995 PolarHBondContact O-N 2.9Å |
| 1984 | Y | 58.8 | Low | 53.3 | Low | 77 Ų | 77 | 76.8 Ų | 76.8 | 30% | 0.302 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 151.8 | 173.2 | -62.1 | -101 | 0 | 0 | 0 | 111.4 | N1967 K1981 C1992 A1993 P1994 | N1967-Y1984 HydrophobicContact CB-CD1 3.66Å; N1967-Y1984 HydrophobicContact CB-CD2 3.82Å; N1967-Y1984 HydrophobicContact CB-CE1 3.74Å; N1967-Y1984 HydrophobicContact CB-CE2 3.88Å; N1967-Y1984 HydrophobicContact CB-CG 3.73Å; N1967-Y1984 VanDerWaalsContact CG-CE1 3.44Å; N1967-Y1984 VanDerWaalsContact ND2-CE1 3.33Å; N1967-Y1984 WeakPolarHBondContact ND2-CE1 3.33Å; N1967-Y1984 PolarHBondContact OD1-OH 3Å; K1981-Y1984 HydrophobicContact CB-CD2 4.16Å; K1981-Y1984 WeakPolarHBondContact O-CB 3.38Å; K1981-Y1984 PolarHBondContact O-N 3.32Å; Y1984-C1992 WeakPolarHBondContact CD1-O 3.5Å; Y1984-A1993 CarbonylContact C-O 3.5Å; Y1984-A1993 WeakPolarHBondContact CA-O 3.3Å; Y1984-P1994 HydrophobicContact CD1-CB 4.07Å; Y1984-P1994 HydrophobicContact CE1-CB 3.85Å; Y1984-P1994 HydrophobicContact CE1-CG 4.37Å |
| 1985 | Y | 49.6 | Very low | 53.4 | Low | 143 Ų | 143 | 73.3 Ų | 73.3 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.8 | 176.3 | 77.7 | -80.1 | 0 | 0 | 0 | 111.2 | C1992 A1993 I1995 | Y1985-C1992 CarbonylContact O-C 3.31Å; Y1985-C1992 WeakPolarHBondContact O-CA 3.46Å; Y1985-A1993 HydrophobicContact CD1-CB 4.38Å; Y1985-A1993 WeakPolarHBondContact CD1-O 3.37Å; Y1985-A1993 HydrophobicContact CE1-CB 3.89Å; Y1985-A1993 PolarHBondContact N-O 2.79Å; Y1985-A1993 PolarHBondContact O-N 2.85Å; Y1985-I1995 HydrophobicContact CD1-CG1 3.91Å |
| 1986 | G | 52.3 | Low | 53.4 | Low | 49 Ų | 49 | 68.9 Ų | 68.9 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.2 | -162.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1991 | G1986-V1991 CarbonylContact C-O 3.52Å; G1986-V1991 VanDerWaalsContact CA-O 3.32Å; G1986-V1991 WeakPolarHBondContact CA-O 3.47Å |
| 1987 | D | 54.5 | Low | 53 | Low | 89 Ų | 89 | 71.9 Ų | 71.9 | 48% | 0.476 | 39% | 0.391 | S | S | . | . | trans | -89.6 | -0.3 | -177.2 | 68.7 | 2.5 | 0 | 0 | 0 | 113.8 | R1989 Y1990 V1991 | D1987-R1989 PolarHBondContact O-N 2.74Å; D1987-R1989 PolarHBondContact OD1-N 2.8Å; D1987-R1989 VanDerWaalsContact OD1-N 3.08Å; D1987-Y1990 PolarHBondContact OD1-N 2.77Å; D1987-Y1990 WeakPolarHBondContact OD2-CD2 3.28Å; D1987-V1991 PolarHBondContact N-O 3.09Å; D1987-V1991 VanDerWaalsContact N-O 3.12Å; D1987-V1991 PolarHBondContact OD1-N 3.45Å | ||
| 1988 | G | 63.1 | Low | 52 | Low | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 73.7 | -32.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1965 A1968 C1978 V1991 C1992 | A1965-G1988 VanDerWaalsContact CB-O 3.28Å; A1965-G1988 WeakPolarHBondContact CB-O 3.27Å; A1965-G1988 PolarHBondContact N-O 2.9Å; A1968-G1988 WeakPolarHBondContact CB-O 3.36Å; C1978-G1988 VanDerWaalsContact CB-C 3.41Å; C1978-G1988 VanDerWaalsContact CB-O 3.24Å; C1978-G1988 WeakPolarHBondContact CB-O 3.41Å; G1988-V1991 PolarHBondContact N-O 3.46Å; G1988-C1992 VanDerWaalsContact CA-SG 3.58Å |
| 1989 | R | 66.4 | Low | 50.3 | Low | 142 Ų | 142 | 76.9 Ų | 76.9 | 54% | 0.536 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -92.7 | -40 | -169.4 | -164.8 | 175.5 | -165.7 | 168.2 | 5.2 | 113.4 | A1965 C1978 D1987 | A1965-R1989 PolarHBondContact N-O 3.49Å; C1978-R1989 HydrophobicContact CB-CB 4.33Å; D1987-R1989 PolarHBondContact O-N 2.74Å; D1987-R1989 PolarHBondContact OD1-N 2.8Å; D1987-R1989 VanDerWaalsContact OD1-N 3.08Å |
| 1990 | Y | 63.9 | Low | 49.2 | Very low | 171 Ų | 171 | 78.4 Ų | 78.4 | 67% | 0.671 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -119.5 | -29.4 | -179.4 | -58.1 | -67.8 | 0 | 0 | 0 | 112.3 | D1987 | D1987-Y1990 PolarHBondContact OD1-N 2.77Å; D1987-Y1990 WeakPolarHBondContact OD2-CD2 3.28Å |
| 1991 | V | 53.2 | Low | 48.2 | Very low | 77 Ų | 77 | 83.1 Ų | 83.1 | 47% | 0.467 | 45% | 0.451 | S | S | . | . | trans | -137.8 | 130.6 | -177.7 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | G1986 D1987 G1988 A1993 | G1986-V1991 CarbonylContact C-O 3.52Å; G1986-V1991 VanDerWaalsContact CA-O 3.32Å; G1986-V1991 WeakPolarHBondContact CA-O 3.47Å; D1987-V1991 PolarHBondContact N-O 3.09Å; D1987-V1991 VanDerWaalsContact N-O 3.12Å; D1987-V1991 PolarHBondContact OD1-N 3.45Å; G1988-V1991 PolarHBondContact N-O 3.46Å; V1991-A1993 HydrophobicContact CG1-CB 4.34Å | ||
| 1992 | C | 56.5 | Low | 47.4 | Very low | 15 Ų | 15 | 83.7 Ų | 83.7 | 10% | 0.101 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 102.6 | 156.7 | -68.8 | 0 | 0 | 0 | 0 | 109 | N1967 C1980 Y1984 Y1985 G1988 | N1967-C1992 HydrophobicContact CB-CB 4.24Å; N1967-C1992 WeakPolarHBondContact O-CB 3.39Å; N1967-C1992 PolarHBondContact O-SG 2.95Å; C1980-C1992 WeakPolarHBondContact CA-SG 3.23Å; C1980-C1992 HydrophobicContact CB-CB 3.85Å; C1980-C1992 WeakPolarHBondContact CB-SG 3.38Å; C1980-C1992 VanDerWaalsContact SG-CA 3.52Å; C1980-C1992 WeakPolarHBondContact SG-CB 3.33Å; C1980-C1992 CovalentContact SG-SG 2.04Å; C1980-C1992 PolarHBondContact SG-SG 3.36Å; Y1984-C1992 WeakPolarHBondContact CD1-O 3.5Å; Y1985-C1992 CarbonylContact O-C 3.31Å; Y1985-C1992 WeakPolarHBondContact O-CA 3.46Å; G1988-C1992 VanDerWaalsContact CA-SG 3.58Å |
| 1993 | A | 45.5 | Very low | 47.1 | Very low | 28 Ų | 28 | 80.8 Ų | 80.8 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 142.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1984 Y1985 V1991 | Y1984-A1993 CarbonylContact C-O 3.5Å; Y1984-A1993 WeakPolarHBondContact CA-O 3.3Å; Y1985-A1993 HydrophobicContact CD1-CB 4.38Å; Y1985-A1993 WeakPolarHBondContact CD1-O 3.37Å; Y1985-A1993 HydrophobicContact CE1-CB 3.89Å; Y1985-A1993 PolarHBondContact N-O 2.79Å; Y1985-A1993 PolarHBondContact O-N 2.85Å; V1991-A1993 HydrophobicContact CG1-CB 4.34Å |
| 1994 | P | 41.6 | Very low | 47 | Very low | 72 Ų | 72 | 85.7 Ų | 85.7 | 47% | 0.468 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 138.5 | -179.5 | 26.7 | -33.9 | 0 | 0 | 0 | 111.4 | Y1984 T1996 | Y1984-P1994 HydrophobicContact CD1-CB 4.07Å; Y1984-P1994 HydrophobicContact CE1-CB 3.85Å; Y1984-P1994 HydrophobicContact CE1-CG 4.37Å; P1994-T1996 PolarHBondContact O-N 2.96Å |
| 1995 | I | 39.9 | Very low | 46.4 | Very low | 88 Ų | 88 | 87 Ų | 87 | 45% | 0.451 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 116.8 | 176.3 | -64.2 | 174.2 | 0 | 0 | 0 | 107.9 | G1983 Y1985 T1999 | G1983-I1995 WeakPolarHBondContact O-CG1 3.22Å; G1983-I1995 PolarHBondContact O-N 2.9Å; Y1985-I1995 HydrophobicContact CD1-CG1 3.91Å; I1995-T1999 VanDerWaalsContact CG2-OG1 3.22Å; I1995-T1999 WeakPolarHBondContact CG2-OG1 3.38Å |
| 1996 | T | 35.1 | Very low | 46.9 | Very low | 77 Ų | 77 | 81.4 Ų | 81.4 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | trans | -109.7 | 161.8 | -175.4 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | P1994 L1998 T1999 | P1994-T1996 PolarHBondContact O-N 2.96Å; T1996-L1998 PolarHBondContact O-N 3.48Å; T1996-T1999 PolarHBondContact O-N 3.28Å; T1996-T1999 PolarHBondContact O-OG1 3.4Å | ||
| 1997 | P | 36 | Very low | 47.6 | Very low | 107 Ų | 107 | 80.4 Ų | 80.4 | 70% | 0.695 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -61.6 | -5.3 | -167.3 | -27.5 | 37.1 | 0 | 0 | 0 | 117.8 | T1999 D2000 | P1997-T1999 PolarHBondContact O-N 2.73Å; P1997-T1999 VanDerWaalsContact O-N 3.12Å; P1997-D2000 PolarHBondContact O-N 3.41Å |
| 1998 | L | 28 | Very low | 48.3 | Very low | 129 Ų | 129 | 82 Ų | 82 | 68% | 0.675 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -67.4 | 4.7 | 162.9 | -71.4 | 168.3 | 0 | 0 | 0 | 113.3 | T1996 A2003 | T1996-L1998 PolarHBondContact O-N 3.48Å; L1998-A2003 VanDerWaalsContact C-CB 3.48Å; L1998-A2003 WeakPolarHBondContact O-CB 3.27Å |
| 1999 | T | 34.7 | Very low | 49 | Very low | 96 Ų | 96 | 83.2 Ų | 83.2 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -137.8 | 23.1 | 175.3 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | I1995 T1996 P1997 | I1995-T1999 VanDerWaalsContact CG2-OG1 3.22Å; I1995-T1999 WeakPolarHBondContact CG2-OG1 3.38Å; T1996-T1999 PolarHBondContact O-N 3.28Å; T1996-T1999 PolarHBondContact O-OG1 3.4Å; P1997-T1999 PolarHBondContact O-N 2.73Å; P1997-T1999 VanDerWaalsContact O-N 3.12Å |
| 2000 | D | 35.1 | Very low | 49.4 | Very low | 110 Ų | 110 | 76.7 Ų | 76.7 | 59% | 0.588 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -76.6 | 162.8 | 168.2 | -157.9 | -9.4 | 0 | 0 | 0 | 110.9 | P1997 C2002 A2003 | P1997-D2000 PolarHBondContact O-N 3.41Å; D2000-C2002 PolarHBondContact O-N 3.05Å; D2000-A2003 VanDerWaalsContact O-CB 3.3Å; D2000-A2003 WeakPolarHBondContact O-CB 3.19Å; D2000-A2003 PolarHBondContact O-N 3.36Å |
| 2001 | E | 38.5 | Very low | 49.9 | Very low | 122 Ų | 122 | 70.3 Ų | 70.3 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 1.7 | -170.3 | -67.7 | 178.2 | -179.3 | 0 | 0 | 114.8 | K1931 H2028 | K1931-E2001 IonicContact NZ-OE1 3.16Å; K1931-E2001 PolarHBondContact NZ-OE1 3.05Å; E2001-H2028 IonicContact OE2-CE1 2.67Å; E2001-H2028 IonicContact OE2-ND1 3.7Å; E2001-H2028 PolarHBondContact OE2-ND1 2.89Å |
| 2002 | C | 48.3 | Very low | 50.3 | Low | 33 Ų | 33 | 68 Ų | 68 | 22% | 0.223 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 12.1 | 173.7 | -110.8 | 0 | 0 | 0 | 0 | 113.6 | D2000 D2004 C2012 | D2000-C2002 PolarHBondContact O-N 3.05Å; C2002-D2004 PolarHBondContact O-N 3.23Å; C2002-D2004 VanDerWaalsContact O-N 3.16Å; C2002-C2012 HydrophobicContact CB-CB 3.92Å; C2002-C2012 WeakPolarHBondContact CB-SG 3.19Å; C2002-C2012 WeakPolarHBondContact SG-CB 2.96Å; C2002-C2012 CovalentContact SG-SG 2.05Å; C2002-C2012 PolarHBondContact SG-SG 3.02Å |
| 2003 | A | 43.9 | Very low | 50.6 | Low | 27 Ų | 27 | 68.5 Ų | 68.5 | 22% | 0.223 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 110.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1998 D2000 L2005 | L1998-A2003 VanDerWaalsContact C-CB 3.48Å; L1998-A2003 WeakPolarHBondContact O-CB 3.27Å; D2000-A2003 VanDerWaalsContact O-CB 3.3Å; D2000-A2003 WeakPolarHBondContact O-CB 3.19Å; D2000-A2003 PolarHBondContact O-N 3.36Å; A2003-L2005 PolarHBondContact O-N 3.14Å |
| 2004 | D | 41.7 | Very low | 51.3 | Low | 147 Ų | 147 | 70.5 Ų | 70.5 | 79% | 0.786 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 13.3 | 178 | -65.1 | -10.7 | 0 | 0 | 0 | 117 | C2002 | C2002-D2004 PolarHBondContact O-N 3.23Å; C2002-D2004 VanDerWaalsContact O-N 3.16Å |
| 2005 | L | 45.9 | Very low | 51.7 | Low | 104 Ų | 104 | 71.4 Ų | 71.4 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -35.6 | 175.9 | -67.4 | 176.3 | 0 | 0 | 0 | 112.9 | A2003 F2041 | A2003-L2005 PolarHBondContact O-N 3.14Å; L2005-F2041 HydrophobicContact CB-CD1 4.01Å; L2005-F2041 HydrophobicContact CB-CE1 3.92Å; L2005-F2041 VanDerWaalsContact O-CD1 3.29Å; L2005-F2041 WeakPolarHBondContact O-CD1 3.33Å |
| 2006 | C | 60.2 | Low | 51.9 | Low | 25 Ų | 25 | 70.9 Ų | 70.9 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -73.1 | 143.7 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | A2010 C2030 G2040 | C2006-A2010 HydrophobicContact CB-CB 4.23Å; C2006-C2030 WeakPolarHBondContact CA-SG 3.4Å; C2006-C2030 HydrophobicContact CB-CB 3.73Å; C2006-C2030 WeakPolarHBondContact CB-SG 3.33Å; C2006-C2030 WeakPolarHBondContact SG-CB 3.41Å; C2006-C2030 CovalentContact SG-SG 2.03Å; C2006-C2030 PolarHBondContact SG-SG 3.2Å; C2006-G2040 CarbonylContact C-O 3.52Å; C2006-G2040 WeakPolarHBondContact CA-O 3.29Å |
| 2007 | D | 67.5 | Low | 52 | Low | 29 Ų | 29 | 67.8 Ų | 67.8 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | trans | -54.8 | 143.1 | 171.9 | -168.6 | -74.4 | 0 | 0 | 0 | 110.3 | S2009 A2010 G2040 S2042 C2043 | D2007-S2009 PolarHBondContact O-N 2.94Å; D2007-S2009 WeakPolarHBondContact OD1-CA 3.44Å; D2007-S2009 WeakPolarHBondContact OD1-CB 3.14Å; D2007-S2009 PolarHBondContact OD1-N 3.31Å; D2007-S2009 PolarHBondContact OD1-OG 3.04Å; D2007-A2010 HydrophobicContact CB-CB 4.12Å; D2007-A2010 WeakPolarHBondContact O-CA 3.12Å; D2007-A2010 VanDerWaalsContact O-CB 3.24Å; D2007-A2010 WeakPolarHBondContact O-CB 3.48Å; D2007-A2010 PolarHBondContact O-N 2.92Å; D2007-G2040 PolarHBondContact N-O 3.4Å; D2007-S2042 WeakPolarHBondContact OD2-CA 3.37Å; D2007-C2043 HydrophobicContact CB-CB 3.98Å; D2007-C2043 VanDerWaalsContact CG-N 3.32Å; D2007-C2043 PolarHBondContact OD2-N 3.14Å | ||
| 2008 | P | 70 | Confident | 51.9 | Low | 121 Ų | 121 | 69 Ų | 69 | 79% | 0.786 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28.5 | 173.4 | -27.9 | 36.3 | 0 | 0 | 0 | 113.8 | A2010 R2033 | P2008-A2010 PolarHBondContact O-N 3.08Å; P2008-R2033 PolarHBondContact O-NE 3.09Å |
| 2009 | S | 76.1 | Confident | 52.1 | Low | 27 Ų | 27 | 66.7 Ų | 66.7 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 12.8 | 175.6 | -24.1 | 0 | 0 | 0 | 0 | 113.1 | D2007 R2033 | D2007-S2009 PolarHBondContact O-N 2.94Å; D2007-S2009 WeakPolarHBondContact OD1-CA 3.44Å; D2007-S2009 WeakPolarHBondContact OD1-CB 3.14Å; D2007-S2009 PolarHBondContact OD1-N 3.31Å; D2007-S2009 PolarHBondContact OD1-OG 3.04Å; S2009-R2033 VanDerWaalsContact O-CB 3.24Å; S2009-R2033 WeakPolarHBondContact O-CB 3.42Å; S2009-R2033 WeakPolarHBondContact O-CD 3.44Å; S2009-R2033 WeakPolarHBondContact O-CG 3.4Å; S2009-R2033 PolarHBondContact O-N 2.87Å |
| 2010 | A | 75.9 | Confident | 52.1 | Low | 6 Ų | 6 | 70.1 Ų | 70.1 | 5% | 0.05 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -177.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C2006 D2007 P2008 I2031 R2033 G2040 | C2006-A2010 HydrophobicContact CB-CB 4.23Å; D2007-A2010 HydrophobicContact CB-CB 4.12Å; D2007-A2010 WeakPolarHBondContact O-CA 3.12Å; D2007-A2010 VanDerWaalsContact O-CB 3.24Å; D2007-A2010 WeakPolarHBondContact O-CB 3.48Å; D2007-A2010 PolarHBondContact O-N 2.92Å; P2008-A2010 PolarHBondContact O-N 3.08Å; A2010-I2031 CarbonylContact C-O 3.36Å; A2010-I2031 WeakPolarHBondContact CA-O 3.09Å; A2010-I2031 WeakPolarHBondContact CB-O 3.25Å; A2010-R2033 PolarHBondContact O-NE 3.01Å; A2010-R2033 PolarHBondContact O-NH2 3.12Å; A2010-R2033 VanDerWaalsContact O-NH2 3.1Å; A2010-G2040 WeakPolarHBondContact CB-O 3.04Å |
| 2011 | V | 73.6 | Confident | 52.2 | Low | 36 Ų | 36 | 74.8 Ų | 74.8 | 22% | 0.218 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 126.9 | 175.6 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | I2031 R2033 | V2011-I2031 PolarHBondContact N-O 2.89Å; V2011-I2031 PolarHBondContact O-N 3.19Å; V2011-R2033 HydrophobicContact CG2-CG 4.15Å |
| 2012 | C | 61.4 | Low | 51.8 | Low | 30 Ų | 30 | 76.3 Ų | 76.3 | 20% | 0.203 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.5 | 169.9 | 179 | 0 | 0 | 0 | 0 | 110.5 | C2002 M2029 | C2002-C2012 HydrophobicContact CB-CB 3.92Å; C2002-C2012 WeakPolarHBondContact CB-SG 3.19Å; C2002-C2012 WeakPolarHBondContact SG-CB 2.96Å; C2002-C2012 CovalentContact SG-SG 2.05Å; C2002-C2012 PolarHBondContact SG-SG 3.02Å; C2012-M2029 CarbonylContact C-O 3.57Å; C2012-M2029 WeakPolarHBondContact CA-O 3.29Å |
| 2013 | A | 64.2 | Low | 51.1 | Low | 25 Ų | 25 | 81.6 Ų | 81.6 | 21% | 0.207 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | H2028 M2029 I2031 | A2013-H2028 WeakPolarHBondContact O-CA 3.3Å; A2013-M2029 PolarHBondContact N-O 3.15Å; A2013-M2029 PolarHBondContact O-N 3.08Å; A2013-I2031 HydrophobicContact CB-CD1 3.69Å; A2013-I2031 HydrophobicContact CB-CG1 4.27Å |
| 2014 | E | 58.8 | Low | 50.5 | Low | 70 Ų | 70 | 86.3 Ų | 86.3 | 33% | 0.327 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.3 | -178.5 | -80.5 | 175 | -151.7 | 0 | 0 | 112.8 | K201 L2016 L2025 | K201-E2014 IonicContact NZ-OE1 2.71Å; K201-E2014 PolarHBondContact NZ-OE1 2.86Å; K201-E2014 IonicContact NZ-OE2 3.13Å; K201-E2014 PolarHBondContact NZ-OE2 3.15Å; E2014-L2016 PolarHBondContact O-N 3.13Å; E2014-L2025 HydrophobicContact CB-CD1 3.64Å; E2014-L2025 HydrophobicContact CG-CD1 3.69Å |
| 2015 | H | 50.5 | Low | 50.2 | Low | 91 Ų | 91 | 83.5 Ų | 83.5 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 99.4 | 173.1 | -159 | 85.5 | 0 | 0 | 0 | 111.4 | G2017 L2026 S2027 M2029 | H2015-G2017 PolarHBondContact O-N 3.18Å; H2015-L2026 PolarHBondContact O-N 2.88Å; H2015-S2027 PolarHBondContact N-O 2.87Å; H2015-M2029 HydrophobicContact CB-CE 4.18Å |
| 2016 | L | 44.2 | Very low | 50.2 | Low | 77 Ų | 77 | 84.3 Ų | 84.3 | 40% | 0.403 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 81.9 | 177.1 | -77.1 | 160 | 0 | 0 | 0 | 111 | E2014 L2025 | E2014-L2016 PolarHBondContact O-N 3.13Å; L2016-L2025 HydrophobicContact CD2-CB 4.11Å; L2016-L2025 HydrophobicContact CD2-CD1 4.13Å; L2016-L2025 HydrophobicContact CG-CD1 4.21Å |
| 2017 | G | 37.8 | Very low | 49.4 | Very low | 12 Ų | 12 | 85.6 Ų | 85.6 | 12% | 0.124 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 137.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H2015 S2019 Q2024 | H2015-G2017 PolarHBondContact O-N 3.18Å; G2017-S2019 PolarHBondContact O-N 3.31Å; G2017-S2019 VanDerWaalsContact O-N 3.16Å; G2017-Q2024 PolarHBondContact N-O 2.75Å |
| 2018 | V | 34.4 | Very low | 48.9 | Very low | 131 Ų | 131 | 87.1 Ų | 87.1 | 79% | 0.794 | 46% | 0.462 | S | S | * | . | trans | -92.2 | 73.7 | -170.8 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2019 | S | 31.8 | Very low | 48.2 | Very low | 81 Ų | 81 | 85 Ų | 85 | 57% | 0.566 | 44% | 0.442 | S | S | * | . | trans | -81.1 | 135.9 | 164.9 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | G2017 K2021 K2022 | G2017-S2019 PolarHBondContact O-N 3.31Å; G2017-S2019 VanDerWaalsContact O-N 3.16Å; S2019-K2021 PolarHBondContact O-N 3.37Å; S2019-K2022 PolarHBondContact O-N 3.35Å | ||
| 2020 | L | 34.9 | Very low | 47.7 | Very low | 169 Ų | 169 | 84.2 Ų | 84.2 | 89% | 0.885 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 3.2 | -152.8 | -124.3 | 158.2 | 0 | 0 | 0 | 116.4 | ||
| 2021 | K | 36 | Very low | 47.8 | Very low | 207 Ų | 207 | 87.9 Ų | 87.9 | 90% | 0.9 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | -15.3 | 176.3 | -72.3 | -169.7 | 177.2 | 177.9 | 0 | 116.7 | S2019 | S2019-K2021 PolarHBondContact O-N 3.37Š|
| 2022 | K | 30.3 | Very low | 48.1 | Very low | 154 Ų | 154 | 87.3 Ų | 87.3 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | trans | -147.4 | 133.9 | 168.5 | -70.8 | -171.5 | 179.1 | 179.3 | 0 | 109.1 | S2019 Q2024 | S2019-K2022 PolarHBondContact O-N 3.35Å; K2022-Q2024 PolarHBondContact O-N 2.91Å | ||
| 2023 | K | 33.7 | Very low | 48.9 | Very low | 145 Ų | 145 | 90 Ų | 90 | 63% | 0.63 | 46% | 0.458 | S | S | * | . | trans | -73.1 | 111.1 | 167.9 | -72.8 | -170.9 | 172.5 | -166.2 | 0 | 108.3 | ||||
| 2024 | Q | 31.4 | Very low | 49.3 | Very low | 126 Ų | 126 | 94.2 Ų | 94.2 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.2 | 164.6 | -78.5 | 169.5 | -97.5 | 0 | 0 | 108.5 | G2017 K2022 | G2017-Q2024 PolarHBondContact N-O 2.75Å; K2022-Q2024 PolarHBondContact O-N 2.91Å |
| 2025 | L | 34.8 | Very low | 49.6 | Very low | 87 Ų | 87 | 91.6 Ų | 91.6 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 124.9 | 157.3 | -178.9 | 65 | 0 | 0 | 0 | 106.3 | E2014 L2016 | E2014-L2025 HydrophobicContact CB-CD1 3.64Å; E2014-L2025 HydrophobicContact CG-CD1 3.69Å; L2016-L2025 HydrophobicContact CD2-CB 4.11Å; L2016-L2025 HydrophobicContact CD2-CD1 4.13Å; L2016-L2025 HydrophobicContact CG-CD1 4.21Å |
| 2026 | L | 46.5 | Very low | 50.7 | Low | 121 Ų | 121 | 89.7 Ų | 89.7 | 63% | 0.634 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -40.5 | -173.6 | -93.5 | 146.9 | 0 | 0 | 0 | 112.3 | H2015 | H2015-L2026 PolarHBondContact O-N 2.88Å |
| 2027 | S | 43.5 | Very low | 51.7 | Low | 52 Ų | 52 | 88.9 Ų | 88.9 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 165.5 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | H2015 | H2015-S2027 PolarHBondContact N-O 2.87Å |
| 2028 | H | 57.1 | Low | 53.1 | Low | 62 Ų | 62 | 91.1 Ų | 91.1 | 29% | 0.287 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 149.1 | 158 | -57.9 | 103.9 | 0 | 0 | 0 | 108.8 | E2001 A2013 | E2001-H2028 IonicContact OE2-CE1 2.67Å; E2001-H2028 IonicContact OE2-ND1 3.7Å; E2001-H2028 PolarHBondContact OE2-ND1 2.89Å; A2013-H2028 WeakPolarHBondContact O-CA 3.3Å |
| 2029 | M | 55.6 | Low | 54.5 | Low | 75 Ų | 75 | 89.8 Ų | 89.8 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 147.4 | 174.6 | 57 | 170.1 | 50.2 | 0 | 0 | 111 | C2012 A2013 H2015 I2031 | C2012-M2029 CarbonylContact C-O 3.57Å; C2012-M2029 WeakPolarHBondContact CA-O 3.29Å; A2013-M2029 PolarHBondContact N-O 3.15Å; A2013-M2029 PolarHBondContact O-N 3.08Å; H2015-M2029 HydrophobicContact CB-CE 4.18Å; M2029-I2031 HydrophobicContact CG-CD1 4.46Å; M2029-I2031 HydrophobicContact CG-CG1 4.35Å; M2029-I2031 HydrophobicContact SD-CD1 4.15Å; M2029-I2031 HydrophobicContact SD-CG1 4.31Å |
| 2030 | C | 65.1 | Low | 56 | Low | 11 Ų | 11 | 86 Ų | 86 | 7% | 0.074 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 143.4 | 170.9 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | C2006 G2040 F2041 | C2006-C2030 WeakPolarHBondContact CA-SG 3.4Å; C2006-C2030 HydrophobicContact CB-CB 3.73Å; C2006-C2030 WeakPolarHBondContact CB-SG 3.33Å; C2006-C2030 WeakPolarHBondContact SG-CB 3.41Å; C2006-C2030 CovalentContact SG-SG 2.03Å; C2006-C2030 PolarHBondContact SG-SG 3.2Å; C2030-G2040 WeakPolarHBondContact CB-O 3.02Å; C2030-F2041 HydrophobicContact CB-CD2 4.29Å; C2030-F2041 HydrophobicContact CB-CE2 4.15Å; C2030-F2041 HydrophobicContact CB-CZ 4.3Å; C2030-F2041 VanDerWaalsContact SG-CE1 3.52Å |
| 2031 | I | 78.2 | Confident | 56.9 | Low | 84 Ų | 84 | 83.1 Ų | 83.1 | 43% | 0.431 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 126.4 | 178.3 | -54.4 | -179.1 | 0 | 0 | 0 | 109.2 | A2010 V2011 A2013 M2029 | A2010-I2031 CarbonylContact C-O 3.36Å; A2010-I2031 WeakPolarHBondContact CA-O 3.09Å; A2010-I2031 WeakPolarHBondContact CB-O 3.25Å; V2011-I2031 PolarHBondContact N-O 2.89Å; V2011-I2031 PolarHBondContact O-N 3.19Å; A2013-I2031 HydrophobicContact CB-CD1 3.69Å; A2013-I2031 HydrophobicContact CB-CG1 4.27Å; M2029-I2031 HydrophobicContact CG-CD1 4.46Å; M2029-I2031 HydrophobicContact CG-CG1 4.35Å; M2029-I2031 HydrophobicContact SD-CD1 4.15Å; M2029-I2031 HydrophobicContact SD-CG1 4.31Å |
| 2032 | C | 79.9 | Confident | 57.7 | Low | 24 Ų | 24 | 76.1 Ų | 76.1 | 16% | 0.162 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 145.5 | 177.4 | -62 | 0 | 0 | 0 | 0 | 112.7 | F2036 C2043 | C2032-F2036 HydrophobicContact CB-CB 4.23Å; C2032-C2043 WeakPolarHBondContact CA-SG 3.29Å; C2032-C2043 HydrophobicContact CB-CB 3.92Å; C2032-C2043 WeakPolarHBondContact CB-SG 3.04Å; C2032-C2043 WeakPolarHBondContact SG-CB 3.44Å; C2032-C2043 CovalentContact SG-SG 2.04Å; C2032-C2043 PolarHBondContact SG-SG 3.19Å |
| 2033 | R | 78.8 | Confident | 59.7 | Low | 85 Ų | 85 | 69.1 Ų | 69.1 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 151.7 | 175.3 | -69.7 | 166.5 | -173.1 | -84.5 | -21.1 | 111 | P2008 S2009 A2010 V2011 G2035 F2036 | P2008-R2033 PolarHBondContact O-NE 3.09Å; S2009-R2033 VanDerWaalsContact O-CB 3.24Å; S2009-R2033 WeakPolarHBondContact O-CB 3.42Å; S2009-R2033 WeakPolarHBondContact O-CD 3.44Å; S2009-R2033 WeakPolarHBondContact O-CG 3.4Å; S2009-R2033 PolarHBondContact O-N 2.87Å; A2010-R2033 PolarHBondContact O-NE 3.01Å; A2010-R2033 PolarHBondContact O-NH2 3.12Å; A2010-R2033 VanDerWaalsContact O-NH2 3.1Å; V2011-R2033 HydrophobicContact CG2-CG 4.15Å; R2033-G2035 PolarHBondContact O-N 3Å; R2033-F2036 HydrophobicContact CB-CD2 4.4Å; R2033-F2036 WeakPolarHBondContact O-CB 3.35Å; R2033-F2036 PolarHBondContact O-N 3.44Å |
| 2034 | P | 71.5 | Confident | 61.6 | Low | 114 Ų | 114 | 68.3 Ų | 68.3 | 74% | 0.74 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 131.8 | 175.3 | -28.3 | 35.9 | 0 | 0 | 0 | 113.1 | F2036 G2065 | P2034-F2036 VanDerWaalsContact C-N 3.33Å; P2034-G2065 WeakPolarHBondContact O-CA 3.45Å |
| 2035 | G | 64.9 | Low | 63.6 | Low | 16 Ų | 16 | 64 Ų | 64 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -6.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | R2033 D2046 H2060 G2065 | R2033-G2035 PolarHBondContact O-N 3Å; G2035-D2046 WeakPolarHBondContact O-CB 3.44Å; G2035-D2046 PolarHBondContact O-N 3.24Å; G2035-H2060 PolarHBondContact O-CE1 2.77Å; G2035-H2060 PolarHBondContact O-ND1 3.48Å; G2035-G2065 WeakPolarHBondContact CA-O 3.03Å; G2035-G2065 PolarHBondContact N-O 2.92Å |
| 2036 | F | 74.5 | Confident | 65.4 | Low | 51 Ų | 51 | 61.8 Ų | 61.8 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.3 | 169.9 | -63.3 | -104.5 | 0 | 0 | 0 | 110.1 | C2032 R2033 P2034 C2043 K2044 H2060 | C2032-F2036 HydrophobicContact CB-CB 4.23Å; R2033-F2036 HydrophobicContact CB-CD2 4.4Å; R2033-F2036 WeakPolarHBondContact O-CB 3.35Å; R2033-F2036 PolarHBondContact O-N 3.44Å; P2034-F2036 VanDerWaalsContact C-N 3.33Å; F2036-C2043 HydrophobicContact CB-CB 4.17Å; F2036-K2044 CarbonylContact C-O 3.54Å; F2036-K2044 WeakPolarHBondContact CA-O 3.01Å; F2036-H2060 AromaticContact CE2-CE1 3.99Å; F2036-H2060 AromaticContact CE2-NE2 3.67Å; F2036-H2060 AromaticContact CZ-NE2 3.67Å |
| 2037 | V | 65.2 | Low | 66.6 | Low | 59 Ų | 59 | 57.5 Ų | 57.5 | 36% | 0.358 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.9 | -178.4 | -68 | 0 | 0 | 0 | 0 | 110.2 | K2044 D2046 A2049 | V2037-K2044 PolarHBondContact N-O 2.92Å; V2037-K2044 PolarHBondContact O-N 2.83Å; V2037-D2046 HydrophobicContact CG1-CB 4.44Å; V2037-A2049 HydrophobicContact CG2-CB 4.11Å |
| 2038 | G | 68.1 | Low | 67.5 | Low | 59 Ų | 59 | 59.8 Ų | 59.8 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 150.8 | -169.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S2042 | G2038-S2042 WeakPolarHBondContact CA-O 3.05Å |
| 2039 | D | 62.3 | Low | 67.6 | Low | 104 Ų | 104 | 60.3 Ų | 60.3 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -90 | -4.3 | -178 | 61.7 | 7.4 | 0 | 0 | 0 | 113.7 | F2041 S2042 | D2039-F2041 VanDerWaalsContact C-N 3.34Å; D2039-F2041 WeakPolarHBondContact OD1-CA 3.3Å; D2039-F2041 PolarHBondContact OD1-N 3.18Å; D2039-S2042 PolarHBondContact N-O 2.92Å; D2039-S2042 PolarHBondContact OD1-N 2.79Å |
| 2040 | G | 63.5 | Low | 68.2 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 91.5 | -16.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | C2006 D2007 A2010 C2030 | C2006-G2040 CarbonylContact C-O 3.52Å; C2006-G2040 WeakPolarHBondContact CA-O 3.29Å; D2007-G2040 PolarHBondContact N-O 3.4Å; A2010-G2040 WeakPolarHBondContact CB-O 3.04Å; C2030-G2040 WeakPolarHBondContact CB-O 3.02Å |
| 2041 | F | 53.8 | Low | 68 | Low | 109 Ų | 109 | 69.7 Ų | 69.7 | 48% | 0.478 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -94.8 | -27.6 | 172.2 | -59.2 | -93.4 | 0 | 0 | 0 | 110.8 | L2005 C2030 D2039 | L2005-F2041 HydrophobicContact CB-CD1 4.01Å; L2005-F2041 HydrophobicContact CB-CE1 3.92Å; L2005-F2041 VanDerWaalsContact O-CD1 3.29Å; L2005-F2041 WeakPolarHBondContact O-CD1 3.33Å; C2030-F2041 HydrophobicContact CB-CD2 4.29Å; C2030-F2041 HydrophobicContact CB-CE2 4.15Å; C2030-F2041 HydrophobicContact CB-CZ 4.3Å; C2030-F2041 VanDerWaalsContact SG-CE1 3.52Å; D2039-F2041 VanDerWaalsContact C-N 3.34Å; D2039-F2041 WeakPolarHBondContact OD1-CA 3.3Å; D2039-F2041 PolarHBondContact OD1-N 3.18Å |
| 2042 | S | 53.5 | Low | 67.4 | Low | 60 Ų | 60 | 67.4 Ų | 67.4 | 42% | 0.42 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -131.5 | 134.2 | 157.8 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | D2007 G2038 D2039 | D2007-S2042 WeakPolarHBondContact OD2-CA 3.37Å; G2038-S2042 WeakPolarHBondContact CA-O 3.05Å; D2039-S2042 PolarHBondContact N-O 2.92Å; D2039-S2042 PolarHBondContact OD1-N 2.79Å |
| 2043 | C | 71.2 | Confident | 67 | Low | 8 Ų | 8 | 70.1 Ų | 70.1 | 5% | 0.054 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 113.5 | -177.7 | -67.9 | 0 | 0 | 0 | 0 | 111 | D2007 C2032 F2036 | D2007-C2043 HydrophobicContact CB-CB 3.98Å; D2007-C2043 VanDerWaalsContact CG-N 3.32Å; D2007-C2043 PolarHBondContact OD2-N 3.14Å; C2032-C2043 WeakPolarHBondContact CA-SG 3.29Å; C2032-C2043 HydrophobicContact CB-CB 3.92Å; C2032-C2043 WeakPolarHBondContact CB-SG 3.04Å; C2032-C2043 WeakPolarHBondContact SG-CB 3.44Å; C2032-C2043 CovalentContact SG-SG 2.04Å; C2032-C2043 PolarHBondContact SG-SG 3.19Å; F2036-C2043 HydrophobicContact CB-CB 4.17Å |
| 2044 | K | 74.5 | Confident | 65.9 | Low | 128 Ų | 128 | 70.5 Ų | 70.5 | 56% | 0.557 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 157.2 | 177.6 | -64.4 | 178.5 | -177.3 | 174.5 | 0 | 110.3 | F2036 V2037 V2048 | F2036-K2044 CarbonylContact C-O 3.54Å; F2036-K2044 WeakPolarHBondContact CA-O 3.01Å; V2037-K2044 PolarHBondContact N-O 2.92Å; V2037-K2044 PolarHBondContact O-N 2.83Å; K2044-V2048 HydrophobicContact CB-CB 4.48Å; K2044-V2048 HydrophobicContact CB-CG2 4.09Å; K2044-V2048 HydrophobicContact CD-CG1 4.45Å |
| 2045 | S | 72.3 | Confident | 65.3 | Low | 34 Ų | 34 | 70.2 Ų | 70.2 | 24% | 0.238 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 141.5 | 175.2 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | C2047 V2048 | S2045-C2047 PolarHBondContact O-N 2.99Å; S2045-V2048 WeakPolarHBondContact O-CB 3.42Å; S2045-V2048 WeakPolarHBondContact O-CG2 3.21Å; S2045-V2048 PolarHBondContact O-N 3.46Å |
| 2046 | D | 74.3 | Confident | 65.5 | Low | 42 Ų | 42 | 70.4 Ų | 70.4 | 23% | 0.225 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -52.5 | -21.4 | 178.8 | 168.5 | 79.4 | 0 | 0 | 0 | 114.4 | G2035 V2037 V2048 A2049 R2050 T2067 | G2035-D2046 WeakPolarHBondContact O-CB 3.44Å; G2035-D2046 PolarHBondContact O-N 3.24Å; V2037-D2046 HydrophobicContact CG1-CB 4.44Å; D2046-V2048 PolarHBondContact O-N 2.69Å; D2046-A2049 PolarHBondContact O-N 2.68Å; D2046-R2050 VanDerWaalsContact O-CB 3.26Å; D2046-R2050 WeakPolarHBondContact O-CB 2.89Å; D2046-R2050 PolarHBondContact O-N 3.04Å; D2046-R2050 VanDerWaalsContact O-N 3.09Å; D2046-R2050 VanDerWaalsContact OD2-CD 3.25Å; D2046-R2050 WeakPolarHBondContact OD2-CD 3.49Å; D2046-T2067 HydrophobicContact CB-CG2 3.7Å; D2046-T2067 WeakPolarHBondContact OD2-CB 3.44Å; D2046-T2067 WeakPolarHBondContact OD2-CG2 3.32Å; D2046-T2067 PolarHBondContact OD2-OG1 2.9Å |
| 2047 | C | 70.7 | Confident | 65.4 | Low | 30 Ų | 30 | 74.3 Ų | 74.3 | 20% | 0.203 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -60 | -14.2 | 169.9 | -78.2 | 0 | 0 | 0 | 0 | 115.3 | S2045 C2058 I2059 H2060 T2067 | S2045-C2047 PolarHBondContact O-N 2.99Å; C2047-C2058 WeakPolarHBondContact CA-SG 3.48Å; C2047-C2058 HydrophobicContact CB-CB 3.57Å; C2047-C2058 WeakPolarHBondContact CB-SG 3.38Å; C2047-C2058 VanDerWaalsContact SG-C 3.51Å; C2047-C2058 WeakPolarHBondContact SG-CB 3.44Å; C2047-C2058 CovalentContact SG-SG 2.03Å; C2047-C2058 PolarHBondContact SG-SG 3.44Å; C2047-I2059 VanDerWaalsContact SG-C 3.55Å; C2047-H2060 HydrophobicContact CB-CB 4.42Å; C2047-H2060 PolarHBondContact SG-N 3.49Å; C2047-H2060 VanDerWaalsContact SG-N 3.38Å; C2047-T2067 HydrophobicContact CB-CG2 4.45Å; C2047-T2067 VanDerWaalsContact SG-CG2 3.56Å |
| 2048 | V | 62 | Low | 65.8 | Low | 100 Ų | 100 | 73.2 Ų | 73.2 | 61% | 0.606 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -77.5 | -26.9 | 171.8 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | K2044 S2045 D2046 | K2044-V2048 HydrophobicContact CB-CB 4.48Å; K2044-V2048 HydrophobicContact CB-CG2 4.09Å; K2044-V2048 HydrophobicContact CD-CG1 4.45Å; S2045-V2048 WeakPolarHBondContact O-CB 3.42Å; S2045-V2048 WeakPolarHBondContact O-CG2 3.21Å; S2045-V2048 PolarHBondContact O-N 3.46Å; D2046-V2048 PolarHBondContact O-N 2.69Å |
| 2049 | A | 59.8 | Low | 66.2 | Low | 74 Ų | 74 | 73.2 Ų | 73.2 | 61% | 0.612 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -2.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V2037 D2046 | V2037-A2049 HydrophobicContact CG2-CB 4.11Å; D2046-A2049 PolarHBondContact O-N 2.68Å |
| 2050 | R | 67.3 | Low | 66.4 | Low | 93 Ų | 93 | 69.8 Ų | 69.8 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | trans | -113.9 | 99.1 | -168.3 | -172 | 167.7 | -176.2 | -123.7 | 37.2 | 112.6 | D2046 C2052 T2067 | D2046-R2050 VanDerWaalsContact O-CB 3.26Å; D2046-R2050 WeakPolarHBondContact O-CB 2.89Å; D2046-R2050 PolarHBondContact O-N 3.04Å; D2046-R2050 VanDerWaalsContact O-N 3.09Å; D2046-R2050 VanDerWaalsContact OD2-CD 3.25Å; D2046-R2050 WeakPolarHBondContact OD2-CD 3.49Å; R2050-C2052 PolarHBondContact O-N 2.82Å; R2050-T2067 WeakPolarHBondContact CD-OG1 3.43Å; R2050-T2067 VanDerWaalsContact CZ-O 3.22Å; R2050-T2067 VanDerWaalsContact CZ-OG1 3.22Å; R2050-T2067 PolarHBondContact NE-OG1 2.86Å; R2050-T2067 PolarHBondContact NH1-O 2.83Å; R2050-T2067 PolarHBondContact NH1-OG1 2.81Å; R2050-T2067 PolarHBondContact NH2-O 3.37Å | ||
| 2051 | E | 61.2 | Low | 66.4 | Low | 190 Ų | 190 | 71.7 Ų | 71.7 | 89% | 0.888 | 38% | 0.375 | S | S | * | . | trans | -55.4 | 129.9 | 170.3 | -63.7 | 179.8 | 165.9 | 0 | 0 | 111.2 | ||||
| 2052 | C | 67 | Low | 66.3 | Low | 36 Ų | 36 | 72.3 Ų | 72.3 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | trans | -111.8 | 154.6 | 169.9 | -69 | 0 | 0 | 0 | 0 | 109.3 | R2050 S2056 C2058 C2069 | R2050-C2052 PolarHBondContact O-N 2.82Å; C2052-S2056 WeakPolarHBondContact CB-OG 3.32Å; C2052-C2058 VanDerWaalsContact SG-CA 3.54Å; C2052-C2058 WeakPolarHBondContact SG-CB 3.19Å; C2052-C2069 VanDerWaalsContact CA-SG 3.52Å; C2052-C2069 HydrophobicContact CB-CB 3.71Å; C2052-C2069 WeakPolarHBondContact CB-SG 3.42Å; C2052-C2069 WeakPolarHBondContact SG-CB 3.36Å; C2052-C2069 CovalentContact SG-SG 2.04Å; C2052-C2069 PolarHBondContact SG-SG 2.78Å | ||
| 2053 | Q | 70.2 | Confident | 66 | Low | 80 Ų | 80 | 74.6 Ų | 74.6 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | trans | -69.2 | 157.8 | -175 | -53.9 | -161.5 | 15.2 | 0 | 0 | 110.9 | S2056 T2080 | Q2053-S2056 PolarHBondContact N-OG 2.67Å; Q2053-S2056 WeakPolarHBondContact O-CB 3.38Å; Q2053-S2056 PolarHBondContact O-N 2.87Å; Q2053-S2056 VanDerWaalsContact O-N 3.08Å; Q2053-S2056 PolarHBondContact O-OG 3.07Å; Q2053-T2080 PolarHBondContact OE1-O 3Å; Q2053-T2080 VanDerWaalsContact OE1-O 3.05Å; Q2053-T2080 PolarHBondContact OE1-OG1 2.82Å | ||
| 2054 | P | 56.5 | Low | 65.1 | Low | 93 Ų | 93 | 80.9 Ų | 80.9 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 146.3 | 178.5 | -30.2 | 36.7 | 0 | 0 | 0 | 112.7 | S2056 | P2054-S2056 PolarHBondContact O-N 3.48Š|
| 2055 | F | 57.6 | Low | 64.1 | Low | 108 Ų | 108 | 75.7 Ų | 75.7 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 18.3 | -174 | -56.3 | -73.4 | 0 | 0 | 0 | 115.7 | I2072 T2075 C2082 L2084 | F2055-I2072 WeakPolarHBondContact O-CG1 3.39Å; F2055-I2072 PolarHBondContact O-N 3.25Å; F2055-T2075 HydrophobicContact CB-CG2 3.86Å; F2055-T2075 HydrophobicContact CD1-CG2 4.02Å; F2055-T2075 HydrophobicContact CG-CG2 4.19Å; F2055-T2075 PolarHBondContact O-OG1 2.68Å; F2055-C2082 HydrophobicContact CB-CB 3.74Å; F2055-C2082 WeakPolarHBondContact CD2-O 3.4Å; F2055-C2082 VanDerWaalsContact O-CB 3.31Å; F2055-C2082 WeakPolarHBondContact O-CB 3.35Å; F2055-L2084 HydrophobicContact CE1-CD1 4.32Å |
| 2056 | S | 70.1 | Confident | 63.7 | Low | 20 Ų | 20 | 78.6 Ų | 78.6 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 147.8 | 172.7 | 78.5 | 0 | 0 | 0 | 0 | 112.3 | C2052 Q2053 P2054 V2070 C2082 | C2052-S2056 WeakPolarHBondContact CB-OG 3.32Å; Q2053-S2056 PolarHBondContact N-OG 2.67Å; Q2053-S2056 WeakPolarHBondContact O-CB 3.38Å; Q2053-S2056 PolarHBondContact O-N 2.87Å; Q2053-S2056 VanDerWaalsContact O-N 3.08Å; Q2053-S2056 PolarHBondContact O-OG 3.07Å; P2054-S2056 PolarHBondContact O-N 3.48Å; S2056-V2070 CarbonylContact C-O 3.41Å; S2056-V2070 VanDerWaalsContact CA-O 3.32Å; S2056-V2070 WeakPolarHBondContact CA-O 3.49Å; S2056-V2070 WeakPolarHBondContact CB-O 3Å; S2056-C2082 VanDerWaalsContact CB-SG 3.55Å |
| 2057 | R | 71.9 | Confident | 63.3 | Low | 133 Ų | 133 | 77 Ų | 77 | 50% | 0.502 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 146.2 | 174.7 | 63.4 | 176.8 | -180 | 179.7 | -2.2 | 110.8 | I2059 V2070 I2072 | R2057-I2059 HydrophobicContact CG-CG1 4.27Å; R2057-V2070 PolarHBondContact N-O 2.77Å; R2057-V2070 PolarHBondContact O-N 2.84Å; R2057-I2072 HydrophobicContact CB-CG1 4.32Å |
| 2058 | C | 74.3 | Confident | 63.6 | Low | 36 Ų | 36 | 78.6 Ų | 78.6 | 24% | 0.243 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.2 | 169.4 | -165.5 | 0 | 0 | 0 | 0 | 110.3 | C2047 C2052 | C2047-C2058 WeakPolarHBondContact CA-SG 3.48Å; C2047-C2058 HydrophobicContact CB-CB 3.57Å; C2047-C2058 WeakPolarHBondContact CB-SG 3.38Å; C2047-C2058 VanDerWaalsContact SG-C 3.51Å; C2047-C2058 WeakPolarHBondContact SG-CB 3.44Å; C2047-C2058 CovalentContact SG-SG 2.03Å; C2047-C2058 PolarHBondContact SG-SG 3.44Å; C2052-C2058 VanDerWaalsContact SG-CA 3.54Å; C2052-C2058 WeakPolarHBondContact SG-CB 3.19Å |
| 2059 | I | 75.7 | Confident | 64.3 | Low | 60 Ų | 60 | 76.4 Ų | 76.4 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.8 | 173.1 | -55.3 | -174.5 | 0 | 0 | 0 | 108.3 | C2047 R2057 N2061 T2067 E2068 V2070 | C2047-I2059 VanDerWaalsContact SG-C 3.55Å; R2057-I2059 HydrophobicContact CG-CG1 4.27Å; I2059-N2061 PolarHBondContact O-N 3.14Å; I2059-T2067 WeakPolarHBondContact O-CA 3.44Å; I2059-E2068 PolarHBondContact N-O 3.15Å; I2059-E2068 PolarHBondContact O-N 2.81Å; I2059-V2070 HydrophobicContact CD1-CB 3.95Å; I2059-V2070 HydrophobicContact CD1-CG2 3.85Å; I2059-V2070 HydrophobicContact CG1-CB 4.48Å; I2059-V2070 HydrophobicContact CG1-CG2 4.28Å |
| 2060 | H | 67.6 | Low | 65.2 | Low | 32 Ų | 32 | 75.7 Ų | 75.7 | 15% | 0.148 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.5 | 174.9 | 174.4 | 77.3 | 0 | 0 | 0 | 109.9 | G2035 F2036 C2047 I2062 T2067 | G2035-H2060 PolarHBondContact O-CE1 2.77Å; G2035-H2060 PolarHBondContact O-ND1 3.48Å; F2036-H2060 AromaticContact CE2-CE1 3.99Å; F2036-H2060 AromaticContact CE2-NE2 3.67Å; F2036-H2060 AromaticContact CZ-NE2 3.67Å; C2047-H2060 HydrophobicContact CB-CB 4.42Å; C2047-H2060 PolarHBondContact SG-N 3.49Å; C2047-H2060 VanDerWaalsContact SG-N 3.38Å; H2060-I2062 VanDerWaalsContact CD2-CG1 3.44Å; H2060-I2062 WeakPolarHBondContact CD2-CG1 3.49Å; H2060-I2062 PolarHBondContact O-N 3.27Å; H2060-I2062 VanDerWaalsContact O-N 3.13Å; H2060-T2067 HydrophobicContact CB-CG2 4.1Å |
| 2061 | N | 62.1 | Low | 65.4 | Low | 39 Ų | 39 | 72.4 Ų | 72.4 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 78.8 | -175.1 | -156.7 | -38.1 | 0 | 0 | 0 | 109.3 | I2059 P2063 R2064 G2065 I2066 E2068 | I2059-N2061 PolarHBondContact O-N 3.14Å; N2061-P2063 VanDerWaalsContact C-N 3.32Å; N2061-P2063 VanDerWaalsContact O-N 3.11Å; N2061-R2064 PolarHBondContact O-N 3.35Å; N2061-G2065 PolarHBondContact O-N 3.37Å; N2061-I2066 WeakPolarHBondContact CA-O 3.27Å; N2061-I2066 WeakPolarHBondContact CB-O 3.25Å; N2061-I2066 PolarHBondContact N-O 3.19Å; N2061-E2068 PolarHBondContact ND2-OE1 2.81Å |
| 2062 | I | 53.6 | Low | 65.5 | Low | 122 Ų | 122 | 67.2 Ų | 67.2 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -41.1 | -48.6 | -172.7 | -56.4 | 164.5 | 0 | 0 | 0 | 113.2 | H2060 R2064 G2065 | H2060-I2062 VanDerWaalsContact CD2-CG1 3.44Å; H2060-I2062 WeakPolarHBondContact CD2-CG1 3.49Å; H2060-I2062 PolarHBondContact O-N 3.27Å; H2060-I2062 VanDerWaalsContact O-N 3.13Å; I2062-R2064 PolarHBondContact O-N 3.45Å; I2062-G2065 PolarHBondContact O-N 2.83Å |
| 2063 | P | 46.3 | Very low | 65.1 | Low | 109 Ų | 109 | 72 Ų | 72 | 71% | 0.708 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -67.6 | -7.4 | -177.3 | -19.7 | 34.3 | 0 | 0 | 0 | 115.5 | N2061 | N2061-P2063 VanDerWaalsContact C-N 3.32Å; N2061-P2063 VanDerWaalsContact O-N 3.11Å |
| 2064 | R | 51.2 | Low | 64.2 | Low | 139 Ų | 139 | 68.6 Ų | 68.6 | 53% | 0.525 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -114.6 | -14 | 176.8 | -71.6 | -174.6 | 170.9 | -171.7 | -3.9 | 113.7 | N2061 I2062 I2066 | N2061-R2064 PolarHBondContact O-N 3.35Å; I2062-R2064 PolarHBondContact O-N 3.45Å; R2064-I2066 HydrophobicContact CB-CB 4.1Å; R2064-I2066 HydrophobicContact CB-CD1 4.17Å; R2064-I2066 HydrophobicContact CB-CG1 4.12Å; R2064-I2066 PolarHBondContact O-N 2.92Å |
| 2065 | G | 53.8 | Low | 64.2 | Low | 19 Ų | 19 | 65.1 Ų | 65.1 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 20.5 | -166 | 0 | 0 | 0 | 0 | 0 | 113.6 | P2034 G2035 N2061 I2062 | P2034-G2065 WeakPolarHBondContact O-CA 3.45Å; G2035-G2065 WeakPolarHBondContact CA-O 3.03Å; G2035-G2065 PolarHBondContact N-O 2.92Å; N2061-G2065 PolarHBondContact O-N 3.37Å; I2062-G2065 PolarHBondContact O-N 2.83Å |
| 2066 | I | 63.9 | Low | 64 | Low | 95 Ų | 95 | 62.1 Ų | 62.1 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.3 | -176.9 | -64.7 | 171.5 | 0 | 0 | 0 | 109.7 | N2061 R2064 | N2061-I2066 WeakPolarHBondContact CA-O 3.27Å; N2061-I2066 WeakPolarHBondContact CB-O 3.25Å; N2061-I2066 PolarHBondContact N-O 3.19Å; R2064-I2066 HydrophobicContact CB-CB 4.1Å; R2064-I2066 HydrophobicContact CB-CD1 4.17Å; R2064-I2066 HydrophobicContact CB-CG1 4.12Å; R2064-I2066 PolarHBondContact O-N 2.92Å |
| 2067 | T | 66.4 | Low | 63.5 | Low | 10 Ų | 10 | 66.7 Ų | 66.7 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 137.2 | 170.1 | 48.7 | 0 | 0 | 0 | 0 | 110.9 | D2046 C2047 R2050 I2059 H2060 | D2046-T2067 HydrophobicContact CB-CG2 3.7Å; D2046-T2067 WeakPolarHBondContact OD2-CB 3.44Å; D2046-T2067 WeakPolarHBondContact OD2-CG2 3.32Å; D2046-T2067 PolarHBondContact OD2-OG1 2.9Å; C2047-T2067 HydrophobicContact CB-CG2 4.45Å; C2047-T2067 VanDerWaalsContact SG-CG2 3.56Å; R2050-T2067 WeakPolarHBondContact CD-OG1 3.43Å; R2050-T2067 VanDerWaalsContact CZ-O 3.22Å; R2050-T2067 VanDerWaalsContact CZ-OG1 3.22Å; R2050-T2067 PolarHBondContact NE-OG1 2.86Å; R2050-T2067 PolarHBondContact NH1-O 2.83Å; R2050-T2067 PolarHBondContact NH1-OG1 2.81Å; R2050-T2067 PolarHBondContact NH2-O 3.37Å; I2059-T2067 WeakPolarHBondContact O-CA 3.44Å; H2060-T2067 HydrophobicContact CB-CG2 4.1Å |
| 2068 | E | 76.8 | Confident | 62.3 | Low | 62 Ų | 62 | 61.1 Ų | 61.1 | 29% | 0.29 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.2 | 172.7 | 58.3 | -169 | 149.5 | 0 | 0 | 110.1 | K296 I2059 N2061 V2070 | K296-E2068 IonicContact NZ-OE1 2.82Å; K296-E2068 PolarHBondContact NZ-OE1 3.05Å; K296-E2068 IonicContact NZ-OE2 2.78Å; K296-E2068 PolarHBondContact NZ-OE2 3.47Å; I2059-E2068 PolarHBondContact N-O 3.15Å; I2059-E2068 PolarHBondContact O-N 2.81Å; N2061-E2068 PolarHBondContact ND2-OE1 2.81Å; E2068-V2070 HydrophobicContact CG-CG2 4.14Å |
| 2069 | C | 77.4 | Confident | 61.6 | Low | 55 Ų | 55 | 62.7 Ų | 62.7 | 37% | 0.372 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130.7 | 172.4 | -63.4 | 0 | 0 | 0 | 0 | 108.7 | C2052 | C2052-C2069 VanDerWaalsContact CA-SG 3.52Å; C2052-C2069 HydrophobicContact CB-CB 3.71Å; C2052-C2069 WeakPolarHBondContact CB-SG 3.42Å; C2052-C2069 WeakPolarHBondContact SG-CB 3.36Å; C2052-C2069 CovalentContact SG-SG 2.04Å; C2052-C2069 PolarHBondContact SG-SG 2.78Å |
| 2070 | V | 77.7 | Confident | 60.6 | Low | 59 Ų | 59 | 64.8 Ų | 64.8 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 138.6 | -174.7 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | S2056 R2057 I2059 E2068 | S2056-V2070 CarbonylContact C-O 3.41Å; S2056-V2070 VanDerWaalsContact CA-O 3.32Å; S2056-V2070 WeakPolarHBondContact CA-O 3.49Å; S2056-V2070 WeakPolarHBondContact CB-O 3Å; R2057-V2070 PolarHBondContact N-O 2.77Å; R2057-V2070 PolarHBondContact O-N 2.84Å; I2059-V2070 HydrophobicContact CD1-CB 3.95Å; I2059-V2070 HydrophobicContact CD1-CG2 3.85Å; I2059-V2070 HydrophobicContact CG1-CB 4.48Å; I2059-V2070 HydrophobicContact CG1-CG2 4.28Å; E2068-V2070 HydrophobicContact CG-CG2 4.14Å |
| 2071 | C | 72 | Confident | 60 | Low | 23 Ų | 23 | 70.6 Ų | 70.6 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 145.5 | 176.5 | -58 | 0 | 0 | 0 | 0 | 112.2 | T2075 L2077 C2082 | C2071-T2075 WeakPolarHBondContact CB-OG1 3.5Å; C2071-L2077 WeakPolarHBondContact SG-CA 3.36Å; C2071-L2077 VanDerWaalsContact SG-CB 3.52Å; C2071-C2082 WeakPolarHBondContact CA-SG 3.23Å; C2071-C2082 HydrophobicContact CB-CB 3.77Å; C2071-C2082 WeakPolarHBondContact CB-SG 3.48Å; C2071-C2082 WeakPolarHBondContact SG-CB 3.07Å; C2071-C2082 CovalentContact SG-SG 2.03Å; C2071-C2082 PolarHBondContact SG-SG 3.37Å |
| 2072 | I | 64.3 | Low | 59.7 | Low | 81 Ų | 81 | 69.1 Ų | 69.1 | 42% | 0.415 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -70 | 157.4 | 172.6 | -58.1 | 169.2 | 0 | 0 | 0 | 108.1 | F2055 R2057 T2075 | F2055-I2072 WeakPolarHBondContact O-CG1 3.39Å; F2055-I2072 PolarHBondContact O-N 3.25Å; R2057-I2072 HydrophobicContact CB-CG1 4.32Å; I2072-T2075 PolarHBondContact N-OG1 2.87Å; I2072-T2075 PolarHBondContact O-N 3.17Å; I2072-T2075 PolarHBondContact O-OG1 3.42Å; I2072-T2075 VanDerWaalsContact O-OG1 3.07Å |
| 2073 | E | 58.8 | Low | 59.6 | Low | 136 Ų | 136 | 65.3 Ų | 65.3 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 143 | 172 | -67.4 | -152.5 | 77.3 | 0 | 0 | 110.8 | K2088 | E2073-K2088 IonicContact OE1-NZ 3.2Å; E2073-K2088 PolarHBondContact OE1-NZ 3.13Å |
| 2074 | G | 51.3 | Low | 59.8 | Low | 10 Ų | 10 | 63.9 Ų | 63.9 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 6.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D2085 | G2074-D2085 VanDerWaalsContact O-CB 3.3Å; G2074-D2085 WeakPolarHBondContact O-CB 3.38Å; G2074-D2085 PolarHBondContact O-N 2.84Å |
| 2075 | T | 55.5 | Low | 59.7 | Low | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.9 | 174.2 | 76.7 | 0 | 0 | 0 | 0 | 113.2 | F2055 C2071 I2072 H2083 L2084 | F2055-T2075 HydrophobicContact CB-CG2 3.86Å; F2055-T2075 HydrophobicContact CD1-CG2 4.02Å; F2055-T2075 HydrophobicContact CG-CG2 4.19Å; F2055-T2075 PolarHBondContact O-OG1 2.68Å; C2071-T2075 WeakPolarHBondContact CB-OG1 3.5Å; I2072-T2075 PolarHBondContact N-OG1 2.87Å; I2072-T2075 PolarHBondContact O-N 3.17Å; I2072-T2075 PolarHBondContact O-OG1 3.42Å; I2072-T2075 VanDerWaalsContact O-OG1 3.07Å; T2075-H2083 CarbonylContact C-O 3.53Å; T2075-H2083 WeakPolarHBondContact CA-O 3.21Å; T2075-H2083 WeakPolarHBondContact CB-O 3.23Å; T2075-L2084 HydrophobicContact CG2-CD1 4.13Å |
| 2076 | I | 53.5 | Low | 59.2 | Low | 45 Ų | 45 | 60.1 Ų | 60.1 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.7 | -175.7 | -33 | 177 | 0 | 0 | 0 | 110.1 | S2078 C2082 H2083 D2085 N2199 | I2076-S2078 PolarHBondContact O-N 3.34Å; I2076-C2082 CarbonylContact O-C 3.57Å; I2076-C2082 VanDerWaalsContact O-CA 3.3Å; I2076-C2082 WeakPolarHBondContact O-CA 3.22Å; I2076-H2083 PolarHBondContact N-O 2.98Å; I2076-H2083 PolarHBondContact O-N 3.16Å; I2076-D2085 HydrophobicContact CD1-CB 4.06Å; I2076-D2085 HydrophobicContact CG1-CB 3.51Å; I2076-N2199 HydrophobicContact CD1-CB 4.34Å; I2076-N2199 WeakPolarHBondContact CD1-O 3.45Å |
| 2077 | L | 60.3 | Low | 58.1 | Low | 115 Ų | 115 | 59.5 Ų | 59.5 | 60% | 0.602 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 108.3 | 173.1 | -173 | 67.9 | 0 | 0 | 0 | 111.1 | C2071 | C2071-L2077 WeakPolarHBondContact SG-CA 3.36Å; C2071-L2077 VanDerWaalsContact SG-CB 3.52Å |
| 2078 | S | 45.6 | Very low | 57.1 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 11% | 0.112 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 98.4 | 176.3 | -168.6 | 0 | 0 | 0 | 0 | 110.3 | I2076 T2080 R2081 V2198 | I2076-S2078 PolarHBondContact O-N 3.34Å; S2078-T2080 PolarHBondContact O-N 2.66Å; S2078-R2081 PolarHBondContact N-O 2.7Å; S2078-R2081 PolarHBondContact O-N 3.28Å; S2078-R2081 VanDerWaalsContact O-N 3.15Å; S2078-V2198 WeakPolarHBondContact OG-CG2 3.4Å |
| 2079 | G | 58.9 | Low | 55.5 | Low | 70 Ų | 70 | 60.6 Ų | 60.6 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | -95.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 2080 | T | 55.9 | Low | 53.8 | Low | 104 Ų | 104 | 59 Ų | 59 | 64% | 0.638 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -12.4 | 175.4 | 67 | 0 | 0 | 0 | 0 | 113.7 | Q2053 S2078 | Q2053-T2080 PolarHBondContact OE1-O 3Å; Q2053-T2080 VanDerWaalsContact OE1-O 3.05Å; Q2053-T2080 PolarHBondContact OE1-OG1 2.82Å; S2078-T2080 PolarHBondContact O-N 2.66Å |
| 2081 | R | 54 | Low | 52.1 | Low | 154 Ų | 154 | 63.5 Ų | 63.5 | 58% | 0.581 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 158.2 | -177.9 | -75.1 | 179.9 | 177.7 | 176.9 | -2 | 110.1 | S2078 H2083 | S2078-R2081 PolarHBondContact N-O 2.7Å; S2078-R2081 PolarHBondContact O-N 3.28Å; S2078-R2081 VanDerWaalsContact O-N 3.15Å; R2081-H2083 VanDerWaalsContact CB-NE2 3.34Å; R2081-H2083 WeakPolarHBondContact CB-NE2 3.13Å |
| 2082 | C | 56.9 | Low | 50.7 | Low | 7 Ų | 7 | 68.4 Ų | 68.4 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.4 | 168.8 | -59.9 | 0 | 0 | 0 | 0 | 108.9 | F2055 S2056 C2071 I2076 | F2055-C2082 HydrophobicContact CB-CB 3.74Å; F2055-C2082 WeakPolarHBondContact CD2-O 3.4Å; F2055-C2082 VanDerWaalsContact O-CB 3.31Å; F2055-C2082 WeakPolarHBondContact O-CB 3.35Å; S2056-C2082 VanDerWaalsContact CB-SG 3.55Å; C2071-C2082 WeakPolarHBondContact CA-SG 3.23Å; C2071-C2082 HydrophobicContact CB-CB 3.77Å; C2071-C2082 WeakPolarHBondContact CB-SG 3.48Å; C2071-C2082 WeakPolarHBondContact SG-CB 3.07Å; C2071-C2082 CovalentContact SG-SG 2.03Å; C2071-C2082 PolarHBondContact SG-SG 3.37Å; I2076-C2082 CarbonylContact O-C 3.57Å; I2076-C2082 VanDerWaalsContact O-CA 3.3Å; I2076-C2082 WeakPolarHBondContact O-CA 3.22Å |
| 2083 | H | 52 | Low | 49.6 | Very low | 42 Ų | 42 | 70.8 Ų | 70.8 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 147.3 | -173.1 | -68.1 | -125.4 | 0 | 0 | 0 | 109.2 | T2075 I2076 R2081 D2085 E2201 | T2075-H2083 CarbonylContact C-O 3.53Å; T2075-H2083 WeakPolarHBondContact CA-O 3.21Å; T2075-H2083 WeakPolarHBondContact CB-O 3.23Å; I2076-H2083 PolarHBondContact N-O 2.98Å; I2076-H2083 PolarHBondContact O-N 3.16Å; R2081-H2083 VanDerWaalsContact CB-NE2 3.34Å; R2081-H2083 WeakPolarHBondContact CB-NE2 3.13Å; H2083-D2085 PolarHBondContact O-N 2.93Å; H2083-E2201 HydrophobicContact CB-CG 4.02Å; H2083-E2201 IonicContact CE1-OE1 2.81Å; H2083-E2201 IonicContact CE1-OE2 3.59Å; H2083-E2201 PolarHBondContact CE1-OE2 2.89Å; H2083-E2201 IonicContact CG-OE1 3.67Å; H2083-E2201 IonicContact ND1-OE1 3.19Å; H2083-E2201 PolarHBondContact ND1-OE1 2.85Å; H2083-E2201 IonicContact ND1-OE2 3.77Å; H2083-E2201 PolarHBondContact ND1-OE2 3.05Å |
| 2084 | L | 48.7 | Very low | 48.7 | Very low | 79 Ų | 79 | 72.1 Ų | 72.1 | 41% | 0.414 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 129.2 | -173.1 | -156.1 | 78.9 | 0 | 0 | 0 | 111.9 | F2055 T2075 V2086 | F2055-L2084 HydrophobicContact CE1-CD1 4.32Å; T2075-L2084 HydrophobicContact CG2-CD1 4.13Å; L2084-V2086 HydrophobicContact CD2-CG2 4.15Å; L2084-V2086 PolarHBondContact O-N 2.99Å |
| 2085 | D | 49.3 | Very low | 48.1 | Very low | 43 Ų | 43 | 76.9 Ų | 76.9 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | trans | -87.9 | 77.4 | 175.9 | -166.4 | -12.3 | 0 | 0 | 0 | 108.9 | G2074 I2076 H2083 Y2087 K2088 T2089 | G2074-D2085 VanDerWaalsContact O-CB 3.3Å; G2074-D2085 WeakPolarHBondContact O-CB 3.38Å; G2074-D2085 PolarHBondContact O-N 2.84Å; I2076-D2085 HydrophobicContact CD1-CB 4.06Å; I2076-D2085 HydrophobicContact CG1-CB 3.51Å; H2083-D2085 PolarHBondContact O-N 2.93Å; D2085-Y2087 PolarHBondContact O-N 2.92Å; D2085-K2088 HydrophobicContact CB-CB 4.08Å; D2085-K2088 WeakPolarHBondContact O-CA 3.23Å; D2085-K2088 PolarHBondContact O-N 2.7Å; D2085-T2089 PolarHBondContact O-N 3.5Å; D2085-T2089 PolarHBondContact O-OG1 2.8Å | ||
| 2086 | V | 44.3 | Very low | 47.5 | Very low | 36 Ų | 36 | 77.2 Ų | 77.2 | 22% | 0.218 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -53.9 | -31.9 | -171.7 | 169.1 | 0 | 0 | 0 | 0 | 112.8 | L2084 T2089 L2090 G2200 | L2084-V2086 HydrophobicContact CD2-CG2 4.15Å; L2084-V2086 PolarHBondContact O-N 2.99Å; V2086-T2089 PolarHBondContact O-N 2.98Å; V2086-L2090 HydrophobicContact CG1-CD1 3.83Å; V2086-L2090 HydrophobicContact CG1-CG 4.26Å; V2086-L2090 WeakPolarHBondContact O-CB 3.42Å; V2086-L2090 WeakPolarHBondContact O-CD1 3.44Å; V2086-L2090 WeakPolarHBondContact O-CG 3.39Å; V2086-L2090 PolarHBondContact O-N 3.12Å; V2086-G2200 WeakPolarHBondContact CG2-O 3.45Å |
| 2087 | Y | 41.5 | Very low | 47.3 | Very low | 82 Ų | 82 | 77.5 Ų | 77.5 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 173.2 | -74.8 | -78.3 | 0 | 0 | 0 | 112.9 | D2085 L2090 E2091 K2122 Y2123 | D2085-Y2087 PolarHBondContact O-N 2.92Å; Y2087-L2090 PolarHBondContact O-N 3.27Å; Y2087-E2091 PolarHBondContact O-N 3.45Å; Y2087-K2122 PolarHBondContact OH-O 3.48Å; Y2087-Y2123 HydrophobicContact CE2-CD1 4.11Å; Y2087-Y2123 HydrophobicContact CE2-CE1 4.23Å; Y2087-Y2123 WeakPolarHBondContact OH-CA 3.2Å; Y2087-Y2123 WeakPolarHBondContact OH-CD1 3.23Å |
| 2088 | K | 45.1 | Very low | 46.7 | Very low | 58 Ų | 58 | 76.6 Ų | 76.6 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.3 | -32.5 | 178.6 | -151.8 | -167.6 | -178.7 | -147.4 | 0 | 111.5 | E2073 D2085 E2091 Q2092 | E2073-K2088 IonicContact OE1-NZ 3.2Å; E2073-K2088 PolarHBondContact OE1-NZ 3.13Å; D2085-K2088 HydrophobicContact CB-CB 4.08Å; D2085-K2088 WeakPolarHBondContact O-CA 3.23Å; D2085-K2088 PolarHBondContact O-N 2.7Å; K2088-E2091 PolarHBondContact O-N 3.18Å; K2088-Q2092 WeakPolarHBondContact O-CB 3.29Å; K2088-Q2092 VanDerWaalsContact O-CG 3.26Å; K2088-Q2092 WeakPolarHBondContact O-CG 3.29Å; K2088-Q2092 PolarHBondContact O-N 2.76Å; K2088-Q2092 VanDerWaalsContact O-N 3.08Å |
| 2089 | T | 43.2 | Very low | 47.1 | Very low | 37 Ų | 37 | 78.8 Ų | 78.8 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63 | -48.9 | 169.8 | -46.7 | 0 | 0 | 0 | 0 | 110.7 | D2085 V2086 E2091 Q2092 E2093 | D2085-T2089 PolarHBondContact O-N 3.5Å; D2085-T2089 PolarHBondContact O-OG1 2.8Å; V2086-T2089 PolarHBondContact O-N 2.98Å; T2089-E2091 VanDerWaalsContact C-N 3.33Å; T2089-E2091 PolarHBondContact O-N 3.44Å; T2089-Q2092 PolarHBondContact O-N 3.03Å; T2089-E2093 PolarHBondContact O-N 3.49Å |
| 2090 | L | 41.8 | Very low | 47 | Very low | 21 Ų | 21 | 76.2 Ų | 76.2 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 175.8 | -72.6 | 167.3 | 0 | 0 | 0 | 113.2 | V2086 Y2087 K2094 L2096 L2118 | V2086-L2090 HydrophobicContact CG1-CD1 3.83Å; V2086-L2090 HydrophobicContact CG1-CG 4.26Å; V2086-L2090 WeakPolarHBondContact O-CB 3.42Å; V2086-L2090 WeakPolarHBondContact O-CD1 3.44Å; V2086-L2090 WeakPolarHBondContact O-CG 3.39Å; V2086-L2090 PolarHBondContact O-N 3.12Å; Y2087-L2090 PolarHBondContact O-N 3.27Å; L2090-K2094 VanDerWaalsContact O-CA 3.23Å; L2090-K2094 WeakPolarHBondContact O-CA 3.45Å; L2090-K2094 PolarHBondContact O-N 3.44Å; L2090-K2094 VanDerWaalsContact O-N 3.16Å; L2090-L2096 HydrophobicContact CD2-CB 4.43Å; L2090-L2096 HydrophobicContact CD2-CD1 3.62Å; L2090-L2096 HydrophobicContact CD2-CG 3.93Å; L2090-L2118 HydrophobicContact CB-CD2 4.29Å |
| 2091 | E | 41.8 | Very low | 47.4 | Very low | 154 Ų | 154 | 74.7 Ų | 74.7 | 72% | 0.72 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69 | -32.1 | 172.5 | -82.5 | -165.9 | 140.1 | 0 | 0 | 113.4 | Y2087 K2088 T2089 | Y2087-E2091 PolarHBondContact O-N 3.45Å; K2088-E2091 PolarHBondContact O-N 3.18Å; T2089-E2091 VanDerWaalsContact C-N 3.33Å; T2089-E2091 PolarHBondContact O-N 3.44Å |
| 2092 | Q | 42.4 | Very low | 47.8 | Very low | 126 Ų | 126 | 71.6 Ų | 71.6 | 59% | 0.589 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -88.8 | -40.3 | -172.4 | -74.3 | -169.2 | -116.2 | 0 | 0 | 113.6 | K2088 T2089 | K2088-Q2092 WeakPolarHBondContact O-CB 3.29Å; K2088-Q2092 VanDerWaalsContact O-CG 3.26Å; K2088-Q2092 WeakPolarHBondContact O-CG 3.29Å; K2088-Q2092 PolarHBondContact O-N 2.76Å; K2088-Q2092 VanDerWaalsContact O-N 3.08Å; T2089-Q2092 PolarHBondContact O-N 3.03Å |
| 2093 | E | 41.7 | Very low | 48.4 | Very low | 131 Ų | 131 | 72.9 Ų | 72.9 | 61% | 0.612 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -97.6 | -20.6 | -179.7 | -66.1 | -179 | 150.6 | 0 | 0 | 112.2 | T2089 D2095 | T2089-E2093 PolarHBondContact O-N 3.49Å; E2093-D2095 PolarHBondContact O-N 3.44Å |
| 2094 | K | 39.6 | Very low | 49.2 | Very low | 164 Ų | 164 | 71.6 Ų | 71.6 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | trans | 62.9 | -24.4 | -168.1 | -61.5 | 179.6 | 177.4 | 174.5 | 0 | 115.5 | L2090 L2096 | L2090-K2094 VanDerWaalsContact O-CA 3.23Å; L2090-K2094 WeakPolarHBondContact O-CA 3.45Å; L2090-K2094 PolarHBondContact O-N 3.44Å; L2090-K2094 VanDerWaalsContact O-N 3.16Å; K2094-L2096 PolarHBondContact O-N 3.12Å | ||
| 2095 | D | 37.8 | Very low | 50.6 | Low | 111 Ų | 111 | 74.1 Ų | 74.1 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 124.4 | 178.9 | -58.5 | -38.6 | 0 | 0 | 0 | 110 | E2093 | E2093-D2095 PolarHBondContact O-N 3.44Š|
| 2096 | L | 42.9 | Very low | 51.8 | Low | 26 Ų | 26 | 72.3 Ų | 72.3 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 153.4 | 164.3 | -102.1 | 69.8 | 0 | 0 | 0 | 108.8 | L2090 K2094 Q2098 I2100 I2101 L2115 | L2090-L2096 HydrophobicContact CD2-CB 4.43Å; L2090-L2096 HydrophobicContact CD2-CD1 3.62Å; L2090-L2096 HydrophobicContact CD2-CG 3.93Å; K2094-L2096 PolarHBondContact O-N 3.12Å; L2096-Q2098 PolarHBondContact O-N 3.11Å; L2096-Q2098 VanDerWaalsContact O-N 3.14Å; L2096-I2100 HydrophobicContact CD2-CB 4.02Å; L2096-I2100 HydrophobicContact CD2-CG2 3.73Å; L2096-I2101 HydrophobicContact CB-CD1 3.91Å; L2096-I2101 HydrophobicContact CB-CG1 3.43Å; L2096-I2101 VanDerWaalsContact CB-CG1 3.43Å; L2096-I2101 WeakPolarHBondContact O-CD1 3.38Å; L2096-L2115 HydrophobicContact CD2-CB 4.05Å; L2096-L2115 HydrophobicContact CD2-CD1 3.94Å; L2096-L2115 HydrophobicContact CD2-CD2 4.03Å; L2096-L2115 HydrophobicContact CD2-CG 4.2Å |
| 2097 | P | 49.6 | Very low | 53.4 | Low | 52 Ų | 52 | 71 Ų | 71 | 34% | 0.338 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 124.8 | 166 | -24.3 | 33.3 | 0 | 0 | 0 | 109.9 | F2099 I2100 | P2097-F2099 HydrophobicContact CB-CD1 3.86Å; P2097-F2099 HydrophobicContact CB-CE1 3.67Å; P2097-F2099 PolarHBondContact O-N 3.46Å; P2097-I2100 HydrophobicContact CB-CD1 4.27Å; P2097-I2100 HydrophobicContact CB-CG1 4.36Å; P2097-I2100 HydrophobicContact CG-CD1 4.11Å; P2097-I2100 WeakPolarHBondContact O-CB 3.45Å; P2097-I2100 PolarHBondContact O-N 3.41Å |
| 2098 | Q | 48.3 | Very low | 55.3 | Low | 96 Ų | 96 | 69.3 Ų | 69.3 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -47.8 | -42.7 | -165.1 | -155.6 | 76.2 | -21.4 | 0 | 0 | 113.4 | L2096 I2100 I2101 D2102 | L2096-Q2098 PolarHBondContact O-N 3.11Å; L2096-Q2098 VanDerWaalsContact O-N 3.14Å; Q2098-I2100 PolarHBondContact O-N 2.87Å; Q2098-I2101 CarbonylContact O-C 3.52Å; Q2098-I2101 WeakPolarHBondContact O-CA 3.34Å; Q2098-I2101 WeakPolarHBondContact O-CB 3.43Å; Q2098-I2101 PolarHBondContact O-N 2.02Å; Q2098-D2102 PolarHBondContact O-N 3.31Å; Q2098-D2102 VanDerWaalsContact O-OD2 3.12Å |
| 2099 | F | 53.7 | Low | 56.7 | Low | 62 Ų | 62 | 72.3 Ų | 72.3 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.9 | -25.9 | 178.5 | 83 | -87.5 | 0 | 0 | 0 | 114.7 | P2097 H2103 I2126 | P2097-F2099 HydrophobicContact CB-CD1 3.86Å; P2097-F2099 HydrophobicContact CB-CE1 3.67Å; P2097-F2099 PolarHBondContact O-N 3.46Å; F2099-H2103 WeakPolarHBondContact O-CB 3.26Å; F2099-H2103 PolarHBondContact O-N 3.25Å; F2099-H2103 PolarHBondContact O-ND1 2.8Å; F2099-I2126 HydrophobicContact CE2-CD1 4.38Å; F2099-I2126 HydrophobicContact CE2-CG2 4.19Å; F2099-I2126 HydrophobicContact CZ-CD1 3.91Å; F2099-I2126 HydrophobicContact CZ-CG2 4.08Å |
| 2100 | I | 57.5 | Low | 58 | Low | 16 Ų | 16 | 77.2 Ų | 77.2 | 8% | 0.082 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -84.6 | -27.6 | 174.4 | -45.3 | 178.7 | 0 | 0 | 0 | 110.7 | L2096 P2097 Q2098 H2103 D2104 L2107 L2115 I2126 | L2096-I2100 HydrophobicContact CD2-CB 4.02Å; L2096-I2100 HydrophobicContact CD2-CG2 3.73Å; P2097-I2100 HydrophobicContact CB-CD1 4.27Å; P2097-I2100 HydrophobicContact CB-CG1 4.36Å; P2097-I2100 HydrophobicContact CG-CD1 4.11Å; P2097-I2100 WeakPolarHBondContact O-CB 3.45Å; P2097-I2100 PolarHBondContact O-N 3.41Å; Q2098-I2100 PolarHBondContact O-N 2.87Å; I2100-H2103 CarbonylContact O-C 3.57Å; I2100-D2104 VanDerWaalsContact O-CA 3.31Å; I2100-D2104 WeakPolarHBondContact O-CA 3.39Å; I2100-D2104 WeakPolarHBondContact O-CB 3.29Å; I2100-D2104 PolarHBondContact O-N 2.93Å; I2100-L2107 HydrophobicContact CG2-CD1 4.11Å; I2100-L2115 HydrophobicContact CG2-CD1 3.96Å; I2100-I2126 HydrophobicContact CD1-CD1 3.54Å; I2100-I2126 HydrophobicContact CG1-CD1 4.38Å |
| 2101 | I | 62.6 | Low | 59.4 | Low | 72 Ų | 72 | 76.2 Ų | 76.2 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.5 | -53.3 | 170.9 | -57.4 | -176.5 | 0 | 0 | 0 | 109.5 | L2096 Q2098 H2103 D2104 | L2096-I2101 HydrophobicContact CB-CD1 3.91Å; L2096-I2101 HydrophobicContact CB-CG1 3.43Å; L2096-I2101 VanDerWaalsContact CB-CG1 3.43Å; L2096-I2101 WeakPolarHBondContact O-CD1 3.38Å; Q2098-I2101 CarbonylContact O-C 3.52Å; Q2098-I2101 WeakPolarHBondContact O-CA 3.34Å; Q2098-I2101 WeakPolarHBondContact O-CB 3.43Å; Q2098-I2101 PolarHBondContact O-N 2.02Å; I2101-H2103 PolarHBondContact O-N 2.86Å; I2101-H2103 VanDerWaalsContact O-N 3.15Å; I2101-D2104 WeakPolarHBondContact O-CB 3.43Å; I2101-D2104 PolarHBondContact O-N 3.3Å |
| 2102 | D | 62.4 | Low | 60.8 | Low | 89 Ų | 89 | 70.4 Ų | 70.4 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.4 | -40 | 178.9 | -57.9 | -35.2 | 0 | 0 | 0 | 111.3 | Q2098 H2105 | Q2098-D2102 PolarHBondContact O-N 3.31Å; Q2098-D2102 VanDerWaalsContact O-OD2 3.12Å; D2102-H2105 PolarHBondContact O-CE1 2.88Å; D2102-H2105 PolarHBondContact O-ND1 2.89Å |
| 2103 | H | 69.9 | Low | 61.9 | Low | 34 Ų | 34 | 68.8 Ų | 68.8 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 16 | -178 | -57.5 | 94.3 | 0 | 0 | 0 | 114.3 | F2099 I2100 I2101 H2105 C2106 V2139 | F2099-H2103 WeakPolarHBondContact O-CB 3.26Å; F2099-H2103 PolarHBondContact O-N 3.25Å; F2099-H2103 PolarHBondContact O-ND1 2.8Å; I2100-H2103 CarbonylContact O-C 3.57Å; I2101-H2103 PolarHBondContact O-N 2.86Å; I2101-H2103 VanDerWaalsContact O-N 3.15Å; H2103-H2105 PolarHBondContact O-N 3.44Å; H2103-C2106 HydrophobicContact CB-CB 4.33Å; H2103-C2106 WeakPolarHBondContact O-CA 3.28Å; H2103-C2106 WeakPolarHBondContact O-CB 3.41Å; H2103-C2106 PolarHBondContact O-N 3.16Å; H2103-V2139 HydrophobicContact CB-CG1 4.04Å; H2103-V2139 HydrophobicContact CB-CG2 3.78Å |
| 2104 | D | 70.2 | Confident | 62.9 | Low | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.08 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -56.6 | -40.4 | 175.9 | -178.9 | 53 | 0 | 0 | 0 | 109.7 | I2100 I2101 C2106 L2107 Q2112 R2116 | I2100-D2104 VanDerWaalsContact O-CA 3.31Å; I2100-D2104 WeakPolarHBondContact O-CA 3.39Å; I2100-D2104 WeakPolarHBondContact O-CB 3.29Å; I2100-D2104 PolarHBondContact O-N 2.93Å; I2101-D2104 WeakPolarHBondContact O-CB 3.43Å; I2101-D2104 PolarHBondContact O-N 3.3Å; D2104-C2106 PolarHBondContact O-N 3.17Å; D2104-C2106 VanDerWaalsContact O-N 3.09Å; D2104-L2107 PolarHBondContact O-N 3.39Å; D2104-Q2112 VanDerWaalsContact O-CG 3.3Å; D2104-Q2112 WeakPolarHBondContact O-CG 3.38Å; D2104-Q2112 PolarHBondContact O-NE2 3.26Å; D2104-Q2112 WeakPolarHBondContact OD1-CG 3.44Å; D2104-R2116 IonicContact OD2-CZ 2.67Å; D2104-R2116 IonicContact OD2-NE 2.61Å; D2104-R2116 PolarHBondContact OD2-NE 3.06Å; D2104-R2116 IonicContact OD2-NH2 3.1Å; D2104-R2116 PolarHBondContact OD2-NH2 2.86Å |
| 2105 | H | 76.3 | Confident | 63.9 | Low | 131 Ų | 131 | 56.3 Ų | 56.3 | 61% | 0.606 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -58 | -21.3 | 174.6 | 77.7 | -89 | 0 | 0 | 0 | 114.6 | D2102 H2103 C2136 | D2102-H2105 PolarHBondContact O-CE1 2.88Å; D2102-H2105 PolarHBondContact O-ND1 2.89Å; H2103-H2105 PolarHBondContact O-N 3.44Å; H2105-C2136 PolarHBondContact NE2-SG 2.87Å; H2105-C2136 VanDerWaalsContact NE2-SG 3.4Å |
| 2106 | C | 75.8 | Confident | 65.1 | Low | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -79.9 | -28.7 | 175.7 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | H2103 D2104 C2136 V2139 K2140 | H2103-C2106 HydrophobicContact CB-CB 4.33Å; H2103-C2106 WeakPolarHBondContact O-CA 3.28Å; H2103-C2106 WeakPolarHBondContact O-CB 3.41Å; H2103-C2106 PolarHBondContact O-N 3.16Å; D2104-C2106 PolarHBondContact O-N 3.17Å; D2104-C2106 VanDerWaalsContact O-N 3.09Å; C2106-C2136 VanDerWaalsContact CA-SG 3.59Å; C2106-C2136 HydrophobicContact CB-CB 3.52Å; C2106-C2136 WeakPolarHBondContact CB-SG 3.42Å; C2106-C2136 WeakPolarHBondContact SG-CA 3.45Å; C2106-C2136 WeakPolarHBondContact SG-CB 2.96Å; C2106-C2136 CovalentContact SG-SG 2.04Å; C2106-C2136 PolarHBondContact SG-SG 2.9Å; C2106-V2139 HydrophobicContact CB-CB 4.45Å; C2106-V2139 HydrophobicContact CB-CG1 4.33Å; C2106-K2140 WeakPolarHBondContact O-CE 3.25Å |
| 2107 | L | 78.4 | Confident | 65.8 | Low | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -75.8 | 157.4 | -172.4 | -59.5 | 175.2 | 0 | 0 | 0 | 112.2 | I2100 D2104 T2111 Q2112 L2115 V2139 I2143 | I2100-L2107 HydrophobicContact CG2-CD1 4.11Å; D2104-L2107 PolarHBondContact O-N 3.39Å; L2107-T2111 HydrophobicContact CB-CG2 4.23Å; L2107-T2111 HydrophobicContact CD1-CG2 4.17Å; L2107-Q2112 HydrophobicContact CB-CG 4.12Å; L2107-Q2112 PolarHBondContact O-NE2 3.11Å; L2107-Q2112 VanDerWaalsContact O-NE2 3.15Å; L2107-L2115 HydrophobicContact CD1-CD1 3.53Å; L2107-V2139 HydrophobicContact CD2-CG1 4.27Å; L2107-I2143 HydrophobicContact CD2-CD1 4.11Å |
| 2108 | S | 79.7 | Confident | 65.8 | Low | 46 Ų | 46 | 63.9 Ų | 63.9 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | trans | -61.1 | 146.6 | 171.6 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | E2110 T2111 Q2112 E2169 | S2108-E2110 VanDerWaalsContact C-N 3.26Å; S2108-E2110 PolarHBondContact O-N 3.37Å; S2108-T2111 CarbonylContact O-C 3.42Å; S2108-T2111 WeakPolarHBondContact O-CA 3.35Å; S2108-T2111 WeakPolarHBondContact O-CB 3.42Å; S2108-T2111 PolarHBondContact O-N 3.13Å; S2108-T2111 WeakPolarHBondContact OG-CB 3.14Å; S2108-T2111 PolarHBondContact OG-OG1 3.16Å; S2108-T2111 VanDerWaalsContact OG-OG1 3.12Å; S2108-Q2112 PolarHBondContact O-N 3.44Å; S2108-E2169 WeakPolarHBondContact CB-OE2 3.23Å; S2108-E2169 PolarHBondContact N-OE2 3.44Å; S2108-E2169 VanDerWaalsContact OG-CD 3.31Å; S2108-E2169 PolarHBondContact OG-OE1 2.97Å; S2108-E2169 PolarHBondContact OG-OE2 2.7Å | ||
| 2109 | L | 74.4 | Confident | 65.8 | Low | 120 Ų | 120 | 64.9 Ų | 64.9 | 63% | 0.628 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.5 | -36.6 | -175.3 | -176.3 | 66.5 | 0 | 0 | 0 | 113 | T2111 Q2112 L2113 | L2109-T2111 PolarHBondContact O-N 2.61Å; L2109-Q2112 PolarHBondContact O-N 3.34Å; L2109-L2113 HydrophobicContact CG-CD1 4.13Å; L2109-L2113 VanDerWaalsContact O-CB 3.32Å; L2109-L2113 WeakPolarHBondContact O-CB 3.39Å; L2109-L2113 WeakPolarHBondContact O-CD1 3.31Å; L2109-L2113 VanDerWaalsContact O-CG 3.27Å; L2109-L2113 WeakPolarHBondContact O-CG 3.44Å; L2109-L2113 PolarHBondContact O-N 3.36Å |
| 2110 | E | 71.3 | Confident | 65.5 | Low | 141 Ų | 141 | 67 Ų | 67 | 66% | 0.659 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.2 | -19 | 175.8 | -157.8 | -151.4 | -146.4 | 0 | 0 | 112.4 | S2108 K2122 | S2108-E2110 VanDerWaalsContact C-N 3.26Å; S2108-E2110 PolarHBondContact O-N 3.37Å; E2110-K2122 PolarHBondContact O-NZ 3.17Å; E2110-K2122 WeakPolarHBondContact OE2-CE 3.37Å; E2110-K2122 IonicContact OE2-NZ 2.67Å; E2110-K2122 PolarHBondContact OE2-NZ 3.16Å |
| 2111 | T | 70.9 | Confident | 65.1 | Low | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -91.5 | -42.2 | 176.1 | -67.4 | 0 | 0 | 0 | 0 | 110.5 | L2107 S2108 L2109 L2113 A2114 L2115 K2122 F2124 V2145 E2169 | L2107-T2111 HydrophobicContact CB-CG2 4.23Å; L2107-T2111 HydrophobicContact CD1-CG2 4.17Å; S2108-T2111 CarbonylContact O-C 3.42Å; S2108-T2111 WeakPolarHBondContact O-CA 3.35Å; S2108-T2111 WeakPolarHBondContact O-CB 3.42Å; S2108-T2111 PolarHBondContact O-N 3.13Å; S2108-T2111 WeakPolarHBondContact OG-CB 3.14Å; S2108-T2111 PolarHBondContact OG-OG1 3.16Å; S2108-T2111 VanDerWaalsContact OG-OG1 3.12Å; L2109-T2111 PolarHBondContact O-N 2.61Å; T2111-L2113 VanDerWaalsContact C-N 3.33Å; T2111-L2113 PolarHBondContact O-N 3.15Å; T2111-A2114 PolarHBondContact O-N 3.44Å; T2111-A2114 VanDerWaalsContact O-N 3.16Å; T2111-L2115 WeakPolarHBondContact O-CG 3.32Å; T2111-L2115 PolarHBondContact O-N 2.98Å; T2111-L2115 VanDerWaalsContact O-N 3.08Å; T2111-K2122 PolarHBondContact OG1-NZ 2.97Å; T2111-F2124 HydrophobicContact CG2-CE1 3.61Å; T2111-F2124 HydrophobicContact CG2-CZ 4.21Å; T2111-V2145 HydrophobicContact CG2-CG2 3.97Å; T2111-E2169 WeakPolarHBondContact CB-OE1 3.29Å; T2111-E2169 PolarHBondContact OG1-OE1 2.98Å |
| 2112 | Q | 71 | Confident | 64.9 | Low | 32 Ų | 32 | 67.3 Ų | 67.3 | 15% | 0.15 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.4 | -47.7 | 167.6 | -64.1 | 177.6 | -8.8 | 0 | 0 | 111.7 | D2104 L2107 S2108 L2109 A2114 L2115 R2116 | D2104-Q2112 VanDerWaalsContact O-CG 3.3Å; D2104-Q2112 WeakPolarHBondContact O-CG 3.38Å; D2104-Q2112 PolarHBondContact O-NE2 3.26Å; D2104-Q2112 WeakPolarHBondContact OD1-CG 3.44Å; L2107-Q2112 HydrophobicContact CB-CG 4.12Å; L2107-Q2112 PolarHBondContact O-NE2 3.11Å; L2107-Q2112 VanDerWaalsContact O-NE2 3.15Å; S2108-Q2112 PolarHBondContact O-N 3.44Å; L2109-Q2112 PolarHBondContact O-N 3.34Å; Q2112-A2114 VanDerWaalsContact C-N 3.32Å; Q2112-A2114 PolarHBondContact O-N 2.91Å; Q2112-L2115 PolarHBondContact O-N 2.98Å; Q2112-R2116 WeakPolarHBondContact O-CB 3.35Å; Q2112-R2116 VanDerWaalsContact O-CG 3.31Å; Q2112-R2116 WeakPolarHBondContact O-CG 3.27Å; Q2112-R2116 PolarHBondContact O-N 2.95Å |
| 2113 | L | 66.2 | Low | 64.9 | Low | 92 Ų | 92 | 65 Ų | 65 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 178.4 | -78.8 | 166.8 | 0 | 0 | 0 | 112.5 | L2109 T2111 T2117 | L2109-L2113 HydrophobicContact CG-CD1 4.13Å; L2109-L2113 VanDerWaalsContact O-CB 3.32Å; L2109-L2113 WeakPolarHBondContact O-CB 3.39Å; L2109-L2113 WeakPolarHBondContact O-CD1 3.31Å; L2109-L2113 VanDerWaalsContact O-CG 3.27Å; L2109-L2113 WeakPolarHBondContact O-CG 3.44Å; L2109-L2113 PolarHBondContact O-N 3.36Å; T2111-L2113 VanDerWaalsContact C-N 3.33Å; T2111-L2113 PolarHBondContact O-N 3.15Å; L2113-T2117 VanDerWaalsContact O-CB 3.32Å; L2113-T2117 WeakPolarHBondContact O-CB 3.36Å; L2113-T2117 VanDerWaalsContact O-CG2 3.26Å; L2113-T2117 WeakPolarHBondContact O-CG2 3.33Å; L2113-T2117 PolarHBondContact O-N 3.03Å; L2113-T2117 PolarHBondContact O-OG1 2.99Å |
| 2114 | A | 63.1 | Low | 64.5 | Low | 20 Ų | 20 | 65.4 Ų | 65.4 | 17% | 0.165 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.7 | -36.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2111 Q2112 K2122 | T2111-A2114 PolarHBondContact O-N 3.44Å; T2111-A2114 VanDerWaalsContact O-N 3.16Å; Q2112-A2114 VanDerWaalsContact C-N 3.32Å; Q2112-A2114 PolarHBondContact O-N 2.91Å; A2114-K2122 HydrophobicContact CB-CB 4.11Å; A2114-K2122 HydrophobicContact CB-CD 3.66Å; A2114-K2122 HydrophobicContact CB-CG 4.28Å |
| 2115 | L | 60.5 | Low | 64.2 | Low | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66 | -53 | 172.3 | -67.3 | 169.1 | 0 | 0 | 0 | 110.8 | L2096 I2100 L2107 T2111 Q2112 T2117 F2124 | L2096-L2115 HydrophobicContact CD2-CB 4.05Å; L2096-L2115 HydrophobicContact CD2-CD1 3.94Å; L2096-L2115 HydrophobicContact CD2-CD2 4.03Å; L2096-L2115 HydrophobicContact CD2-CG 4.2Å; I2100-L2115 HydrophobicContact CG2-CD1 3.96Å; L2107-L2115 HydrophobicContact CD1-CD1 3.53Å; T2111-L2115 WeakPolarHBondContact O-CG 3.32Å; T2111-L2115 PolarHBondContact O-N 2.98Å; T2111-L2115 VanDerWaalsContact O-N 3.08Å; Q2112-L2115 PolarHBondContact O-N 2.98Å; L2115-T2117 PolarHBondContact O-N 3.17Å; L2115-F2124 HydrophobicContact CD1-CE1 4.17Å; L2115-F2124 HydrophobicContact CD1-CZ 4.4Å; L2115-F2124 HydrophobicContact CD2-CD1 4.39Å; L2115-F2124 HydrophobicContact CD2-CD2 4.47Å; L2115-F2124 HydrophobicContact CD2-CE1 3.66Å; L2115-F2124 HydrophobicContact CD2-CE2 3.79Å; L2115-F2124 HydrophobicContact CD2-CZ 3.35Å; L2115-F2124 HydrophobicContact CG-CE1 3.94Å; L2115-F2124 HydrophobicContact CG-CZ 3.67Å |
| 2116 | R | 61.8 | Low | 63.6 | Low | 180 Ų | 180 | 59.3 Ų | 59.3 | 68% | 0.679 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68 | -25.3 | -175.6 | -67.4 | 174.7 | -179.9 | -147.7 | 3.2 | 115 | D2104 Q2112 | D2104-R2116 IonicContact OD2-CZ 2.67Å; D2104-R2116 IonicContact OD2-NE 2.61Å; D2104-R2116 PolarHBondContact OD2-NE 3.06Å; D2104-R2116 IonicContact OD2-NH2 3.1Å; D2104-R2116 PolarHBondContact OD2-NH2 2.86Å; Q2112-R2116 WeakPolarHBondContact O-CB 3.35Å; Q2112-R2116 VanDerWaalsContact O-CG 3.31Å; Q2112-R2116 WeakPolarHBondContact O-CG 3.27Å; Q2112-R2116 PolarHBondContact O-N 2.95Å |
| 2117 | T | 59.2 | Low | 63 | Low | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -97.2 | -10.5 | -177.4 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | L2113 L2115 N2119 | L2113-T2117 VanDerWaalsContact O-CB 3.32Å; L2113-T2117 WeakPolarHBondContact O-CB 3.36Å; L2113-T2117 VanDerWaalsContact O-CG2 3.26Å; L2113-T2117 WeakPolarHBondContact O-CG2 3.33Å; L2113-T2117 PolarHBondContact O-N 3.03Å; L2113-T2117 PolarHBondContact O-OG1 2.99Å; L2115-T2117 PolarHBondContact O-N 3.17Å; T2117-N2119 PolarHBondContact O-N 2.95Å; T2117-N2119 PolarHBondContact O-ND2 3.37Å; T2117-N2119 VanDerWaalsContact O-ND2 3.14Å |
| 2118 | L | 48.1 | Very low | 61.8 | Low | 92 Ų | 92 | 60.4 Ų | 60.4 | 48% | 0.482 | 31% | 0.314 | S | S | . | . | trans | 46.1 | 29 | -178.3 | -65.1 | 171.1 | 0 | 0 | 0 | 114 | L2090 | L2090-L2118 HydrophobicContact CB-CD2 4.29Š| ||
| 2119 | N | 49.7 | Very low | 60.6 | Low | 118 Ų | 118 | 58.7 Ų | 58.7 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | trans | -113.2 | 153.3 | -178.7 | -99.3 | -83.4 | 0 | 0 | 0 | 111.5 | T2117 | T2117-N2119 PolarHBondContact O-N 2.95Å; T2117-N2119 PolarHBondContact O-ND2 3.37Å; T2117-N2119 VanDerWaalsContact O-ND2 3.14Å | ||
| 2120 | P | 46 | Very low | 59.2 | Low | 106 Ų | 106 | 57.3 Ų | 57.3 | 69% | 0.688 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -84.2 | 160.2 | -149.9 | 31.1 | -37.6 | 0 | 0 | 0 | 115 | ||
| 2121 | P | 49.1 | Very low | 58.2 | Low | 62 Ų | 62 | 53.1 Ų | 53.1 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | cis | -138.4 | 84 | -19.1 | 35.2 | -13.7 | 0 | 0 | 0 | 111.1 | Y2123 | P2121-Y2123 HydrophobicContact CB-CE2 3.78Å; P2121-Y2123 HydrophobicContact CG-CE2 4.3Å; P2121-Y2123 WeakPolarHBondContact O-CD2 3.34Å; P2121-Y2123 WeakPolarHBondContact O-CE2 3.43Å | ||
| 2122 | K | 59.9 | Low | 57.3 | Low | 32 Ų | 32 | 60.3 Ų | 60.3 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 126.7 | 168.3 | -88.7 | -177.8 | 163.6 | -174.8 | 0 | 109.7 | Y2087 E2110 T2111 A2114 F2124 V2145 R2146 | Y2087-K2122 PolarHBondContact OH-O 3.48Å; E2110-K2122 PolarHBondContact O-NZ 3.17Å; E2110-K2122 WeakPolarHBondContact OE2-CE 3.37Å; E2110-K2122 IonicContact OE2-NZ 2.67Å; E2110-K2122 PolarHBondContact OE2-NZ 3.16Å; T2111-K2122 PolarHBondContact OG1-NZ 2.97Å; A2114-K2122 HydrophobicContact CB-CB 4.11Å; A2114-K2122 HydrophobicContact CB-CD 3.66Å; A2114-K2122 HydrophobicContact CB-CG 4.28Å; K2122-F2124 HydrophobicContact CB-CE2 4Å; K2122-F2124 HydrophobicContact CB-CZ 4.24Å; K2122-F2124 WeakPolarHBondContact O-CD2 3.4Å; K2122-F2124 VanDerWaalsContact O-CE2 3.27Å; K2122-F2124 WeakPolarHBondContact O-CE2 3.46Å; K2122-V2145 HydrophobicContact CB-CG1 4.01Å; K2122-V2145 HydrophobicContact CD-CG1 3.67Å; K2122-V2145 HydrophobicContact CG-CG1 3.91Å; K2122-R2146 CarbonylContact C-O 3.57Å; K2122-R2146 WeakPolarHBondContact CA-O 3.34Å |
| 2123 | Y | 61.1 | Low | 56.7 | Low | 42 Ų | 42 | 60 Ų | 60 | 17% | 0.165 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.6 | 179.4 | -64.3 | -92.3 | 0 | 0 | 0 | 109.8 | Y2087 P2121 V2145 R2146 P2149 | Y2087-Y2123 HydrophobicContact CE2-CD1 4.11Å; Y2087-Y2123 HydrophobicContact CE2-CE1 4.23Å; Y2087-Y2123 WeakPolarHBondContact OH-CA 3.2Å; Y2087-Y2123 WeakPolarHBondContact OH-CD1 3.23Å; P2121-Y2123 HydrophobicContact CB-CE2 3.78Å; P2121-Y2123 HydrophobicContact CG-CE2 4.3Å; P2121-Y2123 WeakPolarHBondContact O-CD2 3.34Å; P2121-Y2123 WeakPolarHBondContact O-CE2 3.43Å; Y2123-V2145 WeakPolarHBondContact O-CA 3.35Å; Y2123-R2146 PolarHBondContact N-O 3.46Å; Y2123-R2146 PolarHBondContact O-N 2.81Å; Y2123-P2149 HydrophobicContact CD1-CB 4.02Å; Y2123-P2149 HydrophobicContact CD2-CB 4.34Å; Y2123-P2149 VanDerWaalsContact CD2-N 3.31Å; Y2123-P2149 HydrophobicContact CE1-CB 3.67Å; Y2123-P2149 HydrophobicContact CE1-CG 4.34Å; Y2123-P2149 HydrophobicContact CE2-CB 4.01Å; Y2123-P2149 HydrophobicContact CE2-CG 4.1Å; Y2123-P2149 HydrophobicContact CG-CB 4.34Å |
| 2124 | F | 62.6 | Low | 56.4 | Low | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 140 | -177.6 | -60.3 | -100.1 | 0 | 0 | 0 | 109.8 | T2111 L2115 K2122 V2144 V2145 | T2111-F2124 HydrophobicContact CG2-CE1 3.61Å; T2111-F2124 HydrophobicContact CG2-CZ 4.21Å; L2115-F2124 HydrophobicContact CD1-CE1 4.17Å; L2115-F2124 HydrophobicContact CD1-CZ 4.4Å; L2115-F2124 HydrophobicContact CD2-CD1 4.39Å; L2115-F2124 HydrophobicContact CD2-CD2 4.47Å; L2115-F2124 HydrophobicContact CD2-CE1 3.66Å; L2115-F2124 HydrophobicContact CD2-CE2 3.79Å; L2115-F2124 HydrophobicContact CD2-CZ 3.35Å; L2115-F2124 HydrophobicContact CG-CE1 3.94Å; L2115-F2124 HydrophobicContact CG-CZ 3.67Å; K2122-F2124 HydrophobicContact CB-CE2 4Å; K2122-F2124 HydrophobicContact CB-CZ 4.24Å; K2122-F2124 WeakPolarHBondContact O-CD2 3.4Å; K2122-F2124 VanDerWaalsContact O-CE2 3.27Å; K2122-F2124 WeakPolarHBondContact O-CE2 3.46Å; F2124-V2144 CarbonylContact C-O 3.49Å; F2124-V2144 WeakPolarHBondContact CA-O 3.24Å; F2124-V2145 HydrophobicContact CD1-CG2 4.05Å; F2124-V2145 HydrophobicContact CE1-CG1 4.4Å; F2124-V2145 HydrophobicContact CE1-CG2 4.17Å |
| 2125 | Y | 64.2 | Low | 56.9 | Low | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.027 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.3 | 169.5 | -50.5 | -93.6 | 0 | 0 | 0 | 107.5 | V2144 R2146 L2150 | Y2125-V2144 HydrophobicContact CD2-CB 4.43Å; Y2125-V2144 HydrophobicContact CD2-CG1 4.04Å; Y2125-V2144 PolarHBondContact N-O 3.45Å; Y2125-V2144 PolarHBondContact O-N 2.97Å; Y2125-R2146 HydrophobicContact CE2-CG 4.43Å; Y2125-L2150 WeakPolarHBondContact OH-CB 3.22Å; Y2125-L2150 PolarHBondContact OH-N 3.46Å |
| 2126 | I | 62.8 | Low | 57.5 | Low | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.3 | -169.9 | -52.1 | -174.1 | 0 | 0 | 0 | 109.5 | F2099 I2100 V2128 H2142 I2143 L2202 Y2203 | F2099-I2126 HydrophobicContact CE2-CD1 4.38Å; F2099-I2126 HydrophobicContact CE2-CG2 4.19Å; F2099-I2126 HydrophobicContact CZ-CD1 3.91Å; F2099-I2126 HydrophobicContact CZ-CG2 4.08Å; I2100-I2126 HydrophobicContact CD1-CD1 3.54Å; I2100-I2126 HydrophobicContact CG1-CD1 4.38Å; I2126-V2128 HydrophobicContact CG2-CG2 4.04Å; I2126-H2142 WeakPolarHBondContact CA-O 3.27Å; I2126-I2143 HydrophobicContact CD1-CD1 4.48Å; I2126-I2143 HydrophobicContact CD1-CG1 4.45Å; I2126-I2143 HydrophobicContact CG1-CG1 4.16Å; I2126-I2143 HydrophobicContact CG2-CG1 4.12Å; I2126-L2202 HydrophobicContact CB-CD1 3.92Å; I2126-L2202 HydrophobicContact CB-CG 4.34Å; I2126-L2202 HydrophobicContact CD1-CD1 4.06Å; I2126-L2202 HydrophobicContact CG1-CD1 4.32Å; I2126-L2202 HydrophobicContact CG2-CD1 4.44Å; I2126-Y2203 PolarHBondContact O-N 2.9Å |
| 2127 | F | 63.9 | Low | 58 | Low | 9 Ų | 9 | 58.2 Ų | 58.2 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 75.8 | -171.9 | -66.3 | -91 | 0 | 0 | 0 | 110.6 | P2129 H2142 V2144 L2166 I2174 L2183 Y2203 L2205 | F2127-P2129 WeakPolarHBondContact O-CD 3.41Å; F2127-H2142 HydrophobicContact CB-CB 4.43Å; F2127-H2142 PolarHBondContact N-O 2.98Å; F2127-H2142 WeakPolarHBondContact O-CB 3.42Å; F2127-H2142 PolarHBondContact O-CD2 3.46Å; F2127-V2144 HydrophobicContact CD2-CG2 4.45Å; F2127-V2144 HydrophobicContact CE2-CB 4.48Å; F2127-V2144 HydrophobicContact CE2-CG2 3.81Å; F2127-L2166 HydrophobicContact CE2-CD1 4.49Å; F2127-L2166 HydrophobicContact CZ-CD1 3.99Å; F2127-I2174 HydrophobicContact CD1-CD1 4.27Å; F2127-I2174 HydrophobicContact CD2-CD1 3.84Å; F2127-I2174 HydrophobicContact CE1-CD1 4.04Å; F2127-I2174 HydrophobicContact CE1-CG2 4.43Å; F2127-I2174 HydrophobicContact CE2-CD1 3.59Å; F2127-I2174 HydrophobicContact CG-CD1 4.18Å; F2127-I2174 HydrophobicContact CZ-CD1 3.7Å; F2127-I2174 HydrophobicContact CZ-CG2 4.36Å; F2127-L2183 HydrophobicContact CE1-CD1 4.44Å; F2127-Y2203 CarbonylContact C-O 3.59Å; F2127-Y2203 VanDerWaalsContact CA-O 3.32Å; F2127-Y2203 WeakPolarHBondContact CA-O 3.15Å; F2127-L2205 HydrophobicContact CB-CD1 3.81Å; F2127-L2205 HydrophobicContact CB-CG 4.07Å; F2127-L2205 HydrophobicContact CD1-CD1 4.41Å; F2127-L2205 HydrophobicContact CD1-CD2 4.38Å; F2127-L2205 HydrophobicContact CD1-CG 4.35Å |
| 2128 | V | 52.7 | Low | 58.4 | Low | 30 Ų | 30 | 56.9 Ų | 56.9 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 116.5 | -172.6 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | I2126 L2202 Y2203 Y2204 L2205 | I2126-V2128 HydrophobicContact CG2-CG2 4.04Å; V2128-L2202 HydrophobicContact CG2-CD2 3.79Å; V2128-L2202 HydrophobicContact CG2-CG 4.24Å; V2128-Y2203 PolarHBondContact N-O 3.29Å; V2128-Y2204 HydrophobicContact CB-CD1 3.93Å; V2128-Y2204 HydrophobicContact CB-CE1 4.2Å; V2128-Y2204 HydrophobicContact CG1-CD1 4.13Å; V2128-Y2204 HydrophobicContact CG1-CE1 4.18Å; V2128-Y2204 CarbonylContact O-C 3.6Å; V2128-Y2204 VanDerWaalsContact O-CA 3.31Å; V2128-Y2204 WeakPolarHBondContact O-CA 3.25Å; V2128-L2205 PolarHBondContact O-N 3.33Å |
| 2129 | P | 53.8 | Low | 59.5 | Low | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | trans | -75.3 | 166.4 | 175.3 | 30.9 | -30 | 0 | 0 | 0 | 112.3 | F2127 S2131 I2133 L2205 P2208 | F2127-P2129 WeakPolarHBondContact O-CD 3.41Å; P2129-S2131 VanDerWaalsContact C-N 3.31Å; P2129-S2131 PolarHBondContact O-N 3.48Å; P2129-I2133 HydrophobicContact CG-CD1 4.36Å; P2129-I2133 HydrophobicContact CG-CG1 3.79Å; P2129-L2205 CarbonylContact C-O 3.51Å; P2129-L2205 VanDerWaalsContact CA-O 3.32Å; P2129-L2205 WeakPolarHBondContact CA-O 3.21Å; P2129-P2208 HydrophobicContact CB-CB 4.16Å; P2129-P2208 HydrophobicContact CG-CB 4.49Å | ||
| 2130 | S | 46.5 | Very low | 60.7 | Low | 91 Ų | 91 | 50.5 Ų | 50.5 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -70.3 | -24.8 | 179.1 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | L2205 S2206 | S2130-L2205 PolarHBondContact N-O 2.83Å; S2130-S2206 WeakPolarHBondContact CB-O 3.28Å; S2130-S2206 PolarHBondContact OG-O 2.72Å |
| 2131 | S | 49.3 | Very low | 61.8 | Low | 54 Ų | 54 | 46 Ų | 46 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -86.5 | 139.8 | 169.2 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | P2129 I2133 | P2129-S2131 VanDerWaalsContact C-N 3.31Å; P2129-S2131 PolarHBondContact O-N 3.48Å; S2131-I2133 PolarHBondContact O-N 3.18Å |
| 2132 | I | 52.9 | Low | 62.8 | Low | 150 Ų | 150 | 43.1 Ų | 43.1 | 77% | 0.769 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -55.1 | 128.6 | 174.5 | -60.5 | 175.1 | 0 | 0 | 0 | 109.7 | T2134 | I2132-T2134 HydrophobicContact CB-CG2 4.4Å; I2132-T2134 HydrophobicContact CG2-CG2 3.94Å; I2132-T2134 PolarHBondContact O-N 3.14Å |
| 2133 | I | 57.2 | Low | 63.4 | Low | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 117.2 | 172.1 | -56.3 | -179.2 | 0 | 0 | 0 | 107.2 | P2129 S2131 D2138 V2139 H2142 | P2129-I2133 HydrophobicContact CG-CD1 4.36Å; P2129-I2133 HydrophobicContact CG-CG1 3.79Å; S2131-I2133 PolarHBondContact O-N 3.18Å; I2133-D2138 HydrophobicContact CG2-CB 3.54Å; I2133-V2139 HydrophobicContact CG2-CB 4.34Å; I2133-V2139 HydrophobicContact CG2-CG2 3.51Å; I2133-H2142 HydrophobicContact CD1-CB 4.35Å |
| 2134 | T | 61.1 | Low | 64 | Low | 113 Ų | 113 | 39.9 Ų | 39.9 | 69% | 0.693 | 23% | 0.23 | S | C | * | . | trans | -123.2 | -10.8 | -173.7 | 52.3 | 0 | 0 | 0 | 0 | 115 | I2132 | I2132-T2134 HydrophobicContact CB-CG2 4.4Å; I2132-T2134 HydrophobicContact CG2-CG2 3.94Å; I2132-T2134 PolarHBondContact O-N 3.14Å | ||
| 2135 | S | 72.4 | Confident | 64.5 | Low | 37 Ų | 37 | 39.4 Ų | 39.4 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -119.7 | 150.6 | 174.7 | 77.3 | 0 | 0 | 0 | 0 | 112.7 | T2137 D2138 V2139 | S2135-T2137 WeakPolarHBondContact CB-OG1 2.9Å; S2135-T2137 PolarHBondContact O-N 3.19Å; S2135-T2137 VanDerWaalsContact O-N 3.13Å; S2135-T2137 PolarHBondContact OG-OG1 3.41Å; S2135-D2138 VanDerWaalsContact CB-OD2 3.32Å; S2135-D2138 WeakPolarHBondContact CB-OD2 3.44Å; S2135-D2138 PolarHBondContact N-OD2 2.94Å; S2135-D2138 WeakPolarHBondContact O-CB 3.27Å; S2135-D2138 PolarHBondContact O-N 3.18Å; S2135-D2138 PolarHBondContact OG-N 3.46Å; S2135-D2138 PolarHBondContact OG-OD2 2.83Å; S2135-V2139 WeakPolarHBondContact O-CG2 3.49Å; S2135-V2139 PolarHBondContact O-N 3.02Å |
| 2136 | C | 72.3 | Confident | 64.8 | Low | 43 Ų | 43 | 42.2 Ų | 42.2 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.8 | -26.8 | 171.8 | -74.6 | 0 | 0 | 0 | 0 | 113.5 | H2105 C2106 K2140 | H2105-C2136 PolarHBondContact NE2-SG 2.87Å; H2105-C2136 VanDerWaalsContact NE2-SG 3.4Å; C2106-C2136 VanDerWaalsContact CA-SG 3.59Å; C2106-C2136 HydrophobicContact CB-CB 3.52Å; C2106-C2136 WeakPolarHBondContact CB-SG 3.42Å; C2106-C2136 WeakPolarHBondContact SG-CA 3.45Å; C2106-C2136 WeakPolarHBondContact SG-CB 2.96Å; C2106-C2136 CovalentContact SG-SG 2.04Å; C2106-C2136 PolarHBondContact SG-SG 2.9Å; C2136-K2140 WeakPolarHBondContact O-CG 3.32Å; C2136-K2140 PolarHBondContact O-N 2.79Å; C2136-K2140 VanDerWaalsContact O-N 3.11Å |
| 2137 | T | 72.5 | Confident | 65.1 | Low | 74 Ų | 74 | 46 Ų | 46 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.1 | -49.8 | 171.8 | 14.3 | 0 | 0 | 0 | 0 | 111.1 | S2135 V2139 K2140 E2141 | S2135-T2137 WeakPolarHBondContact CB-OG1 2.9Å; S2135-T2137 PolarHBondContact O-N 3.19Å; S2135-T2137 VanDerWaalsContact O-N 3.13Å; S2135-T2137 PolarHBondContact OG-OG1 3.41Å; T2137-V2139 VanDerWaalsContact C-N 3.34Å; T2137-V2139 PolarHBondContact O-N 2.71Å; T2137-K2140 PolarHBondContact O-N 3.42Å; T2137-E2141 WeakPolarHBondContact O-CG 3.24Å; T2137-E2141 PolarHBondContact O-N 2.77Å |
| 2138 | D | 68.4 | Low | 65.3 | Low | 46 Ų | 46 | 52.6 Ų | 52.6 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.4 | -52.3 | -53.8 | 0 | 0 | 0 | 110.7 | I2133 S2135 K2140 E2141 H2142 | I2133-D2138 HydrophobicContact CG2-CB 3.54Å; S2135-D2138 VanDerWaalsContact CB-OD2 3.32Å; S2135-D2138 WeakPolarHBondContact CB-OD2 3.44Å; S2135-D2138 PolarHBondContact N-OD2 2.94Å; S2135-D2138 WeakPolarHBondContact O-CB 3.27Å; S2135-D2138 PolarHBondContact O-N 3.18Å; S2135-D2138 PolarHBondContact OG-N 3.46Å; S2135-D2138 PolarHBondContact OG-OD2 2.83Å; D2138-K2140 VanDerWaalsContact C-N 3.34Å; D2138-K2140 PolarHBondContact O-N 3.15Å; D2138-E2141 PolarHBondContact O-N 3.42Å; D2138-H2142 PolarHBondContact O-N 2.85Å; D2138-H2142 VanDerWaalsContact O-N 3.1Å; D2138-H2142 PolarHBondContact O-ND1 3.49Å |
| 2139 | V | 71.2 | Confident | 65.7 | Low | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.1 | -47.7 | 178.5 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | H2103 C2106 L2107 I2133 S2135 T2137 E2141 H2142 I2143 | H2103-V2139 HydrophobicContact CB-CG1 4.04Å; H2103-V2139 HydrophobicContact CB-CG2 3.78Å; C2106-V2139 HydrophobicContact CB-CB 4.45Å; C2106-V2139 HydrophobicContact CB-CG1 4.33Å; L2107-V2139 HydrophobicContact CD2-CG1 4.27Å; I2133-V2139 HydrophobicContact CG2-CB 4.34Å; I2133-V2139 HydrophobicContact CG2-CG2 3.51Å; S2135-V2139 WeakPolarHBondContact O-CG2 3.49Å; S2135-V2139 PolarHBondContact O-N 3.02Å; T2137-V2139 VanDerWaalsContact C-N 3.34Å; T2137-V2139 PolarHBondContact O-N 2.71Å; V2139-E2141 PolarHBondContact O-N 2.97Å; V2139-H2142 PolarHBondContact O-N 3.17Å; V2139-I2143 HydrophobicContact CG1-CD1 3.76Å; V2139-I2143 WeakPolarHBondContact O-CG1 3.33Å; V2139-I2143 PolarHBondContact O-N 3.36Å |
| 2140 | K | 75 | Confident | 66 | Low | 71 Ų | 71 | 53.9 Ų | 53.9 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 179.6 | -73.2 | -178.6 | -178.9 | -174.7 | 0 | 113.2 | C2106 C2136 T2137 D2138 H2142 T2168 E2169 N2170 | C2106-K2140 WeakPolarHBondContact O-CE 3.25Å; C2136-K2140 WeakPolarHBondContact O-CG 3.32Å; C2136-K2140 PolarHBondContact O-N 2.79Å; C2136-K2140 VanDerWaalsContact O-N 3.11Å; T2137-K2140 PolarHBondContact O-N 3.42Å; D2138-K2140 VanDerWaalsContact C-N 3.34Å; D2138-K2140 PolarHBondContact O-N 3.15Å; K2140-H2142 VanDerWaalsContact C-N 3.31Å; K2140-T2168 WeakPolarHBondContact O-CB 3.32Å; K2140-E2169 HydrophobicContact CB-CB 4.17Å; K2140-E2169 HydrophobicContact CG-CB 4.17Å; K2140-E2169 PolarHBondContact O-N 2.8Å; K2140-N2170 HydrophobicContact CB-CB 3.81Å; K2140-N2170 PolarHBondContact O-N 3.33Å |
| 2141 | E | 68.9 | Low | 66.7 | Low | 13 Ų | 13 | 52.1 Ų | 52.1 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.7 | -29 | 176.6 | -74.4 | -175.2 | -175.1 | 0 | 0 | 112.5 | T2137 D2138 V2139 T2168 N2170 L2209 H2211 | T2137-E2141 WeakPolarHBondContact O-CG 3.24Å; T2137-E2141 PolarHBondContact O-N 2.77Å; D2138-E2141 PolarHBondContact O-N 3.42Å; V2139-E2141 PolarHBondContact O-N 2.97Å; E2141-T2168 WeakPolarHBondContact O-CB 3.25Å; E2141-T2168 WeakPolarHBondContact O-CG2 2.93Å; E2141-N2170 HydrophobicContact CB-CB 4.44Å; E2141-N2170 HydrophobicContact CG-CB 3.55Å; E2141-N2170 VanDerWaalsContact CG-ND2 3.32Å; E2141-N2170 WeakPolarHBondContact CG-ND2 3.21Å; E2141-N2170 PolarHBondContact OE1-ND2 3.18Å; E2141-L2209 WeakPolarHBondContact O-CD1 3.5Å; E2141-H2211 IonicContact OE1-ND1 3.34Å |
| 2142 | H | 70.1 | Confident | 66.9 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -101.4 | 5 | -174 | -63.7 | 91.1 | 0 | 0 | 0 | 114.5 | I2126 F2127 I2133 D2138 V2139 K2140 L2209 | I2126-H2142 WeakPolarHBondContact CA-O 3.27Å; F2127-H2142 HydrophobicContact CB-CB 4.43Å; F2127-H2142 PolarHBondContact N-O 2.98Å; F2127-H2142 WeakPolarHBondContact O-CB 3.42Å; F2127-H2142 PolarHBondContact O-CD2 3.46Å; I2133-H2142 HydrophobicContact CD1-CB 4.35Å; D2138-H2142 PolarHBondContact O-N 2.85Å; D2138-H2142 VanDerWaalsContact O-N 3.1Å; D2138-H2142 PolarHBondContact O-ND1 3.49Å; V2139-H2142 PolarHBondContact O-N 3.17Å; K2140-H2142 VanDerWaalsContact C-N 3.31Å; H2142-L2209 PolarHBondContact NE2-N 2.81Å |
| 2143 | I | 73.2 | Confident | 67.3 | Low | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.7 | 179.3 | -63.4 | 177.5 | 0 | 0 | 0 | 111.6 | L2107 I2126 V2139 V2145 T2168 E2169 | L2107-I2143 HydrophobicContact CD2-CD1 4.11Å; I2126-I2143 HydrophobicContact CD1-CD1 4.48Å; I2126-I2143 HydrophobicContact CD1-CG1 4.45Å; I2126-I2143 HydrophobicContact CG1-CG1 4.16Å; I2126-I2143 HydrophobicContact CG2-CG1 4.12Å; V2139-I2143 HydrophobicContact CG1-CD1 3.76Å; V2139-I2143 WeakPolarHBondContact O-CG1 3.33Å; V2139-I2143 PolarHBondContact O-N 3.36Å; I2143-V2145 HydrophobicContact CG2-CG2 4.05Å; I2143-T2168 CarbonylContact O-C 3.51Å; I2143-T2168 WeakPolarHBondContact O-CA 3.34Å; I2143-T2168 WeakPolarHBondContact O-CB 3.46Å; I2143-E2169 PolarHBondContact O-N 3.35Å |
| 2144 | V | 72.9 | Confident | 67.6 | Low | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.2 | 173.7 | 170.4 | 0 | 0 | 0 | 0 | 109.9 | F2124 Y2125 F2127 L2166 I2167 T2168 I2174 | F2124-V2144 CarbonylContact C-O 3.49Å; F2124-V2144 WeakPolarHBondContact CA-O 3.24Å; Y2125-V2144 HydrophobicContact CD2-CB 4.43Å; Y2125-V2144 HydrophobicContact CD2-CG1 4.04Å; Y2125-V2144 PolarHBondContact N-O 3.45Å; Y2125-V2144 PolarHBondContact O-N 2.97Å; F2127-V2144 HydrophobicContact CD2-CG2 4.45Å; F2127-V2144 HydrophobicContact CE2-CB 4.48Å; F2127-V2144 HydrophobicContact CE2-CG2 3.81Å; V2144-L2166 HydrophobicContact CG1-CB 4.11Å; V2144-L2166 HydrophobicContact CG1-CD2 4.37Å; V2144-L2166 HydrophobicContact CG2-CB 4.13Å; V2144-I2167 WeakPolarHBondContact CG1-O 3.49Å; V2144-T2168 HydrophobicContact CG2-CG2 3.61Å; V2144-I2174 HydrophobicContact CG2-CD1 4.44Å |
| 2145 | V | 74.2 | Confident | 67.4 | Low | 33 Ų | 33 | 50.9 Ų | 50.9 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.3 | -179.8 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | T2111 K2122 Y2123 F2124 I2143 E2169 | T2111-V2145 HydrophobicContact CG2-CG2 3.97Å; K2122-V2145 HydrophobicContact CB-CG1 4.01Å; K2122-V2145 HydrophobicContact CD-CG1 3.67Å; K2122-V2145 HydrophobicContact CG-CG1 3.91Å; Y2123-V2145 WeakPolarHBondContact O-CA 3.35Å; F2124-V2145 HydrophobicContact CD1-CG2 4.05Å; F2124-V2145 HydrophobicContact CE1-CG1 4.4Å; F2124-V2145 HydrophobicContact CE1-CG2 4.17Å; I2143-V2145 HydrophobicContact CG2-CG2 4.05Å; V2145-E2169 HydrophobicContact CG2-CG 4.08Å |
| 2146 | R | 70.7 | Confident | 66.5 | Low | 66 Ų | 66 | 56.8 Ų | 56.8 | 25% | 0.249 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.3 | 174.6 | -69.1 | -172.1 | 74.7 | 177 | -1 | 111.5 | K2122 Y2123 Y2125 K2148 L2150 E2154 | K2122-R2146 CarbonylContact C-O 3.57Å; K2122-R2146 WeakPolarHBondContact CA-O 3.34Å; Y2123-R2146 PolarHBondContact N-O 3.46Å; Y2123-R2146 PolarHBondContact O-N 2.81Å; Y2125-R2146 HydrophobicContact CE2-CG 4.43Å; R2146-K2148 WeakPolarHBondContact CB-O 3.13Å; R2146-K2148 PolarHBondContact O-N 3.24Å; R2146-L2150 VanDerWaalsContact NH1-CD1 3.33Å; R2146-L2150 VanDerWaalsContact NH1-CG 3.31Å; R2146-E2154 IonicContact CZ-OE2 3.57Å; R2146-E2154 IonicContact NH1-OE2 3.78Å; R2146-E2154 PolarHBondContact NH1-OE2 3.38Å; R2146-E2154 IonicContact NH2-OE1 2.82Å; R2146-E2154 PolarHBondContact NH2-OE1 2.82Å; R2146-E2154 IonicContact NH2-OE2 3.23Å; R2146-E2154 PolarHBondContact NH2-OE2 2.94Å |
| 2147 | S | 68.1 | Low | 66 | Low | 88 Ų | 88 | 62.8 Ų | 62.8 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -76.6 | 2.7 | 173.5 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 2148 | K | 67.2 | Low | 65.3 | Low | 148 Ų | 148 | 59.7 Ų | 59.7 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -148 | 147.8 | -179.8 | -68.3 | -175.2 | -178.5 | 172.3 | 0 | 109.8 | R2146 | R2146-K2148 WeakPolarHBondContact CB-O 3.13Å; R2146-K2148 PolarHBondContact O-N 3.24Å |
| 2149 | P | 60.9 | Low | 64.9 | Low | 50 Ų | 50 | 59.7 Ų | 59.7 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | trans | -68.3 | 142 | 177.3 | 28.8 | -30.5 | 0 | 0 | 0 | 108.9 | Y2123 P2151 | Y2123-P2149 HydrophobicContact CD1-CB 4.02Å; Y2123-P2149 HydrophobicContact CD2-CB 4.34Å; Y2123-P2149 VanDerWaalsContact CD2-N 3.31Å; Y2123-P2149 HydrophobicContact CE1-CB 3.67Å; Y2123-P2149 HydrophobicContact CE1-CG 4.34Å; Y2123-P2149 HydrophobicContact CE2-CB 4.01Å; Y2123-P2149 HydrophobicContact CE2-CG 4.1Å; Y2123-P2149 HydrophobicContact CG-CB 4.34Å; P2149-P2151 WeakPolarHBondContact O-CD 3.38Å; P2149-P2151 VanDerWaalsContact O-N 3.11Å | ||
| 2150 | L | 60.9 | Low | 64.4 | Low | 16 Ų | 16 | 63.5 Ų | 63.5 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -65.7 | 107.8 | 174.6 | -160.4 | 144.4 | 0 | 0 | 0 | 109.5 | Y2125 R2146 E2154 L2155 I2164 L2166 F2197 | Y2125-L2150 WeakPolarHBondContact OH-CB 3.22Å; Y2125-L2150 PolarHBondContact OH-N 3.46Å; R2146-L2150 VanDerWaalsContact NH1-CD1 3.33Å; R2146-L2150 VanDerWaalsContact NH1-CG 3.31Å; L2150-E2154 HydrophobicContact CD2-CB 4.42Å; L2150-L2155 HydrophobicContact CD2-CD1 3.36Å; L2150-I2164 HydrophobicContact CD1-CG2 3.89Å; L2150-I2164 HydrophobicContact CD2-CD1 4.32Å; L2150-L2166 HydrophobicContact CD1-CD2 3.64Å; L2150-F2197 HydrophobicContact CD1-CD1 4.04Å; L2150-F2197 HydrophobicContact CD1-CE1 3.7Å; L2150-F2197 HydrophobicContact CD1-CZ 4.46Å; L2150-F2197 HydrophobicContact CD2-CD1 4.2Å; L2150-F2197 HydrophobicContact CD2-CE1 4.3Å | ||
| 2151 | P | 61.6 | Low | 63.8 | Low | 55 Ų | 55 | 69.2 Ų | 69.2 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | trans | -76.5 | 145.3 | -166.8 | 31.2 | -34.3 | 0 | 0 | 0 | 110.9 | P2149 N2153 E2154 L2155 | P2149-P2151 WeakPolarHBondContact O-CD 3.38Å; P2149-P2151 VanDerWaalsContact O-N 3.11Å; P2151-N2153 PolarHBondContact O-N 3.45Å; P2151-E2154 VanDerWaalsContact CD-CD 3.42Å; P2151-E2154 WeakPolarHBondContact CD-OE2 3.32Å; P2151-E2154 HydrophobicContact CG-CB 3.93Å; P2151-E2154 HydrophobicContact CG-CG 3.68Å; P2151-E2154 WeakPolarHBondContact O-CB 3.17Å; P2151-E2154 PolarHBondContact O-N 3.44Å; P2151-L2155 PolarHBondContact O-N 2.83Å | ||
| 2152 | M | 54.1 | Low | 63.8 | Low | 119 Ų | 119 | 71.1 Ų | 71.1 | 59% | 0.586 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.3 | -16.3 | 177.7 | -156.9 | 62.6 | 147.5 | 0 | 0 | 113.9 | L2155 K2156 | M2152-L2155 HydrophobicContact SD-CB 4.45Å; M2152-L2155 HydrophobicContact SD-CD2 4.11Å; M2152-K2156 WeakPolarHBondContact O-CG 3.34Å; M2152-K2156 PolarHBondContact O-N 3.35Å; M2152-K2156 VanDerWaalsContact O-N 3.14Å |
| 2153 | N | 60 | Low | 63.7 | Low | 95 Ų | 95 | 72.6 Ų | 72.6 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -78.9 | -38.5 | 170.9 | -74.4 | -6.1 | 0 | 0 | 0 | 113.3 | P2151 L2155 K2156 Y2157 | P2151-N2153 PolarHBondContact O-N 3.45Å; N2153-L2155 PolarHBondContact O-N 3.44Å; N2153-K2156 PolarHBondContact O-N 2.88Å; N2153-Y2157 HydrophobicContact CB-CD2 4.11Å; N2153-Y2157 HydrophobicContact CB-CE2 4Å; N2153-Y2157 WeakPolarHBondContact O-CB 3.39Å; N2153-Y2157 WeakPolarHBondContact O-CD2 3.34Å; N2153-Y2157 PolarHBondContact O-N 3.26Å |
| 2154 | E | 64.1 | Low | 63.5 | Low | 74 Ų | 74 | 72.9 Ų | 72.9 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.7 | -41.1 | 168.5 | -84.1 | 174.7 | -157.7 | 0 | 0 | 109 | R2146 L2150 P2151 K2156 Y2157 A2158 | R2146-E2154 IonicContact CZ-OE2 3.57Å; R2146-E2154 IonicContact NH1-OE2 3.78Å; R2146-E2154 PolarHBondContact NH1-OE2 3.38Å; R2146-E2154 IonicContact NH2-OE1 2.82Å; R2146-E2154 PolarHBondContact NH2-OE1 2.82Å; R2146-E2154 IonicContact NH2-OE2 3.23Å; R2146-E2154 PolarHBondContact NH2-OE2 2.94Å; L2150-E2154 HydrophobicContact CD2-CB 4.42Å; P2151-E2154 VanDerWaalsContact CD-CD 3.42Å; P2151-E2154 WeakPolarHBondContact CD-OE2 3.32Å; P2151-E2154 HydrophobicContact CG-CB 3.93Å; P2151-E2154 HydrophobicContact CG-CG 3.68Å; P2151-E2154 WeakPolarHBondContact O-CB 3.17Å; P2151-E2154 PolarHBondContact O-N 3.44Å; E2154-K2156 PolarHBondContact O-N 3.33Å; E2154-Y2157 PolarHBondContact O-N 2.88Å; E2154-A2158 VanDerWaalsContact O-CB 3.29Å; E2154-A2158 WeakPolarHBondContact O-CB 3.41Å; E2154-A2158 PolarHBondContact O-N 3.12Å |
| 2155 | L | 56 | Low | 63.5 | Low | 29 Ų | 29 | 78 Ų | 78 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175 | -122.3 | 77.9 | 0 | 0 | 0 | 114.7 | L2150 P2151 M2152 N2153 I2164 F2197 | L2150-L2155 HydrophobicContact CD2-CD1 3.36Å; P2151-L2155 PolarHBondContact O-N 2.83Å; M2152-L2155 HydrophobicContact SD-CB 4.45Å; M2152-L2155 HydrophobicContact SD-CD2 4.11Å; N2153-L2155 PolarHBondContact O-N 3.44Å; L2155-I2164 HydrophobicContact CD1-CD1 3.52Å; L2155-I2164 HydrophobicContact CG-CD1 4.23Å; L2155-F2197 HydrophobicContact CD1-CB 4.2Å; L2155-F2197 HydrophobicContact CD1-CD2 3.45Å; L2155-F2197 VanDerWaalsContact CD1-CD2 3.45Å; L2155-F2197 HydrophobicContact CD1-CE2 3.75Å; L2155-F2197 HydrophobicContact CD1-CG 3.9Å; L2155-F2197 HydrophobicContact CD1-CZ 4.42Å; L2155-F2197 HydrophobicContact CD2-CD2 4.2Å; L2155-F2197 HydrophobicContact CG-CD2 4.28Å |
| 2156 | K | 53.7 | Low | 63.4 | Low | 161 Ų | 161 | 76.6 Ų | 76.6 | 70% | 0.7 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -77.9 | -27.1 | -179.1 | -82.3 | -176.9 | 174.8 | -179.6 | 0 | 114.1 | M2152 N2153 E2154 | M2152-K2156 WeakPolarHBondContact O-CG 3.34Å; M2152-K2156 PolarHBondContact O-N 3.35Å; M2152-K2156 VanDerWaalsContact O-N 3.14Å; N2153-K2156 PolarHBondContact O-N 2.88Å; E2154-K2156 PolarHBondContact O-N 3.33Å |
| 2157 | Y | 61.7 | Low | 63.7 | Low | 170 Ų | 170 | 77.4 Ų | 77.4 | 67% | 0.667 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -98.1 | -11.2 | -178.3 | -64.6 | -55.9 | 0 | 0 | 0 | 113.6 | N2153 E2154 | N2153-Y2157 HydrophobicContact CB-CD2 4.11Å; N2153-Y2157 HydrophobicContact CB-CE2 4Å; N2153-Y2157 WeakPolarHBondContact O-CB 3.39Å; N2153-Y2157 WeakPolarHBondContact O-CD2 3.34Å; N2153-Y2157 PolarHBondContact O-N 3.26Å; E2154-Y2157 PolarHBondContact O-N 2.88Å |
| 2158 | A | 58.9 | Low | 64.3 | Low | 8 Ų | 8 | 73.6 Ų | 73.6 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | trans | -69.2 | 132.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E2154 S2162 I2164 P2178 | E2154-A2158 VanDerWaalsContact O-CB 3.29Å; E2154-A2158 WeakPolarHBondContact O-CB 3.41Å; E2154-A2158 PolarHBondContact O-N 3.12Å; A2158-S2162 CarbonylContact C-O 3.16Å; A2158-S2162 WeakPolarHBondContact CA-O 3.31Å; A2158-S2162 WeakPolarHBondContact CB-O 3.44Å; A2158-I2164 HydrophobicContact CB-CD1 3.97Å; A2158-I2164 HydrophobicContact CB-CG1 3.4Å; A2158-I2164 VanDerWaalsContact CB-CG1 3.4Å; A2158-P2178 HydrophobicContact CB-CG 3.76Å | ||
| 2159 | T | 60.7 | Low | 64.6 | Low | 47 Ų | 47 | 68.6 Ų | 68.6 | 29% | 0.288 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -131.5 | 175.8 | -174.5 | 72.3 | 0 | 0 | 0 | 0 | 110.5 | Q2161 S2162 | T2159-Q2161 PolarHBondContact O-N 2.95Å; T2159-Q2161 VanDerWaalsContact O-N 3.1Å; T2159-Q2161 PolarHBondContact OG1-N 3.14Å; T2159-Q2161 VanDerWaalsContact OG1-N 3.15Å; T2159-S2162 PolarHBondContact N-O 3.46Å; T2159-S2162 PolarHBondContact N-OG 3.29Å; T2159-S2162 CarbonylContact O-C 3.53Å; T2159-S2162 PolarHBondContact O-N 3.09Å; T2159-S2162 PolarHBondContact OG1-N 2.97Å; T2159-S2162 PolarHBondContact OG1-OG 3.18Å |
| 2160 | V | 59.4 | Low | 65.3 | Low | 85 Ų | 85 | 69.2 Ų | 69.2 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20 | 172.5 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 2161 | Q | 62.7 | Low | 65.9 | Low | 190 Ų | 190 | 72 Ų | 72 | 89% | 0.888 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -5.5 | 174.7 | -64.9 | -179.8 | -19.1 | 0 | 0 | 113.6 | T2159 | T2159-Q2161 PolarHBondContact O-N 2.95Å; T2159-Q2161 VanDerWaalsContact O-N 3.1Å; T2159-Q2161 PolarHBondContact OG1-N 3.14Å; T2159-Q2161 VanDerWaalsContact OG1-N 3.15Å |
| 2162 | S | 69 | Low | 66.2 | Low | 54 Ų | 54 | 69.8 Ų | 69.8 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -149.3 | 72.3 | -175.4 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | A2158 T2159 | A2158-S2162 CarbonylContact C-O 3.16Å; A2158-S2162 WeakPolarHBondContact CA-O 3.31Å; A2158-S2162 WeakPolarHBondContact CB-O 3.44Å; T2159-S2162 PolarHBondContact N-O 3.46Å; T2159-S2162 PolarHBondContact N-OG 3.29Å; T2159-S2162 CarbonylContact O-C 3.53Å; T2159-S2162 PolarHBondContact O-N 3.09Å; T2159-S2162 PolarHBondContact OG1-N 2.97Å; T2159-S2162 PolarHBondContact OG1-OG 3.18Å |
| 2163 | P | 67.1 | Low | 66.9 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | trans | -67.4 | 160.7 | 176.6 | 30.2 | -36.5 | 0 | 0 | 0 | 111.9 | K2165 E2175 V2176 Y2177 | P2163-K2165 PolarHBondContact O-N 3.28Å; P2163-E2175 HydrophobicContact CB-CB 4.1Å; P2163-E2175 HydrophobicContact CG-CB 4.25Å; P2163-E2175 HydrophobicContact CG-CG 4.17Å; P2163-V2176 WeakPolarHBondContact CA-O 3.31Å; P2163-V2176 WeakPolarHBondContact CB-O 3.09Å; P2163-Y2177 HydrophobicContact CB-CD1 4.01Å; P2163-Y2177 HydrophobicContact CB-CD2 4.02Å; P2163-Y2177 HydrophobicContact CB-CE1 3.78Å; P2163-Y2177 HydrophobicContact CB-CE2 3.75Å; P2163-Y2177 HydrophobicContact CB-CG 4.15Å; P2163-Y2177 HydrophobicContact CG-CE1 3.98Å; P2163-Y2177 HydrophobicContact CG-CE2 4.21Å | ||
| 2164 | I | 70 | Confident | 67.4 | Low | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.1 | 174 | -51.6 | 177.6 | 0 | 0 | 0 | 107.8 | L2150 L2155 A2158 E2175 V2176 P2178 F2197 | L2150-I2164 HydrophobicContact CD1-CG2 3.89Å; L2150-I2164 HydrophobicContact CD2-CD1 4.32Å; L2155-I2164 HydrophobicContact CD1-CD1 3.52Å; L2155-I2164 HydrophobicContact CG-CD1 4.23Å; A2158-I2164 HydrophobicContact CB-CD1 3.97Å; A2158-I2164 HydrophobicContact CB-CG1 3.4Å; A2158-I2164 VanDerWaalsContact CB-CG1 3.4Å; I2164-E2175 CarbonylContact O-C 3.54Å; I2164-E2175 WeakPolarHBondContact O-CA 3.28Å; I2164-V2176 HydrophobicContact CB-CB 4.22Å; I2164-V2176 PolarHBondContact N-O 3.18Å; I2164-V2176 PolarHBondContact O-N 3.24Å; I2164-P2178 HydrophobicContact CD1-CG 4.16Å; I2164-F2197 HydrophobicContact CD1-CE2 4.17Å; I2164-F2197 HydrophobicContact CD1-CZ 4.17Å |
| 2165 | K | 72.2 | Confident | 67.7 | Low | 107 Ų | 107 | 58.2 Ų | 58.2 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 121.5 | 174.5 | -77.3 | 174.2 | 173.5 | -71.8 | 0 | 110.6 | P2163 V2173 E2175 | P2163-K2165 PolarHBondContact O-N 3.28Å; K2165-V2173 HydrophobicContact CG-CG1 4.33Å; K2165-E2175 WeakPolarHBondContact CE-OE1 3.37Å; K2165-E2175 HydrophobicContact CG-CG 3.87Å; K2165-E2175 IonicContact NZ-OE1 2.59Å; K2165-E2175 PolarHBondContact NZ-OE1 2.85Å |
| 2166 | L | 73.4 | Confident | 68.3 | Low | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 155.5 | 162.8 | -55.6 | 176.4 | 0 | 0 | 0 | 109.3 | F2127 V2144 L2150 V2173 I2174 F2197 | F2127-L2166 HydrophobicContact CE2-CD1 4.49Å; F2127-L2166 HydrophobicContact CZ-CD1 3.99Å; V2144-L2166 HydrophobicContact CG1-CB 4.11Å; V2144-L2166 HydrophobicContact CG1-CD2 4.37Å; V2144-L2166 HydrophobicContact CG2-CB 4.13Å; L2150-L2166 HydrophobicContact CD1-CD2 3.64Å; L2166-V2173 WeakPolarHBondContact O-CA 3Å; L2166-I2174 HydrophobicContact CB-CB 4.23Å; L2166-I2174 PolarHBondContact N-O 3.49Å; L2166-I2174 PolarHBondContact O-N 2.96Å; L2166-F2197 HydrophobicContact CD1-CE1 4.19Å |
| 2167 | I | 76.3 | Confident | 68.8 | Low | 83 Ų | 83 | 51.6 Ų | 51.6 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.8 | 178.8 | -54.9 | 179.5 | 0 | 0 | 0 | 107.5 | V2144 N2171 T2172 | V2144-I2167 WeakPolarHBondContact CG1-O 3.49Å; I2167-N2171 HydrophobicContact CG2-CB 4.36Å; I2167-T2172 WeakPolarHBondContact CA-O 3.19Å |
| 2168 | T | 80 | Confident | 68.5 | Low | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 171 | -176.6 | 66.4 | 0 | 0 | 0 | 0 | 111.5 | K2140 E2141 I2143 V2144 N2170 N2171 T2172 I2174 | K2140-T2168 WeakPolarHBondContact O-CB 3.32Å; E2141-T2168 WeakPolarHBondContact O-CB 3.25Å; E2141-T2168 WeakPolarHBondContact O-CG2 2.93Å; I2143-T2168 CarbonylContact O-C 3.51Å; I2143-T2168 WeakPolarHBondContact O-CA 3.34Å; I2143-T2168 WeakPolarHBondContact O-CB 3.46Å; V2144-T2168 HydrophobicContact CG2-CG2 3.61Å; T2168-N2170 PolarHBondContact O-N 2.86Å; T2168-N2170 PolarHBondContact OG1-N 3.1Å; T2168-N2171 PolarHBondContact O-N 3.04Å; T2168-N2171 PolarHBondContact OG1-N 3.34Å; T2168-T2172 PolarHBondContact N-O 3.16Å; T2168-T2172 VanDerWaalsContact N-O 3.13Å; T2168-T2172 WeakPolarHBondContact OG1-CB 3.28Å; T2168-T2172 PolarHBondContact OG1-N 3.34Å; T2168-T2172 PolarHBondContact OG1-OG1 3.46Å; T2168-I2174 HydrophobicContact CG2-CD1 3.99Å |
| 2169 | E | 74.1 | Confident | 68.2 | Low | 43 Ų | 43 | 52.2 Ų | 52.2 | 20% | 0.201 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.4 | 173.7 | -70.9 | -119.9 | 162.4 | 0 | 0 | 113 | S2108 T2111 K2140 I2143 V2145 | S2108-E2169 WeakPolarHBondContact CB-OE2 3.23Å; S2108-E2169 PolarHBondContact N-OE2 3.44Å; S2108-E2169 VanDerWaalsContact OG-CD 3.31Å; S2108-E2169 PolarHBondContact OG-OE1 2.97Å; S2108-E2169 PolarHBondContact OG-OE2 2.7Å; T2111-E2169 WeakPolarHBondContact CB-OE1 3.29Å; T2111-E2169 PolarHBondContact OG1-OE1 2.98Å; K2140-E2169 HydrophobicContact CB-CB 4.17Å; K2140-E2169 HydrophobicContact CG-CB 4.17Å; K2140-E2169 PolarHBondContact O-N 2.8Å; I2143-E2169 PolarHBondContact O-N 3.35Å; V2145-E2169 HydrophobicContact CG2-CG 4.08Å |
| 2170 | N | 74.9 | Confident | 67.7 | Low | 63 Ų | 63 | 54.3 Ų | 54.3 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 15 | 166.9 | -149.8 | 28.6 | 0 | 0 | 0 | 114.2 | K2140 E2141 T2168 T2172 | K2140-N2170 HydrophobicContact CB-CB 3.81Å; K2140-N2170 PolarHBondContact O-N 3.33Å; E2141-N2170 HydrophobicContact CB-CB 4.44Å; E2141-N2170 HydrophobicContact CG-CB 3.55Å; E2141-N2170 VanDerWaalsContact CG-ND2 3.32Å; E2141-N2170 WeakPolarHBondContact CG-ND2 3.21Å; E2141-N2170 PolarHBondContact OE1-ND2 3.18Å; T2168-N2170 PolarHBondContact O-N 2.86Å; T2168-N2170 PolarHBondContact OG1-N 3.1Å; N2170-T2172 PolarHBondContact O-N 3.17Å |
| 2171 | N | 73.4 | Confident | 67.2 | Low | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | trans | 62.8 | 15.7 | -177.6 | -58.9 | -75.2 | 0 | 0 | 0 | 116.7 | I2167 T2168 | I2167-N2171 HydrophobicContact CG2-CB 4.36Å; T2168-N2171 PolarHBondContact O-N 3.04Å; T2168-N2171 PolarHBondContact OG1-N 3.34Å | ||
| 2172 | T | 69.1 | Low | 66.9 | Low | 10 Ų | 10 | 43.6 Ų | 43.6 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | trans | -62.9 | 136.9 | 170.7 | -26.6 | 0 | 0 | 0 | 0 | 109.9 | I2167 T2168 N2170 I2185 D2186 L2209 | I2167-T2172 WeakPolarHBondContact CA-O 3.19Å; T2168-T2172 PolarHBondContact N-O 3.16Å; T2168-T2172 VanDerWaalsContact N-O 3.13Å; T2168-T2172 WeakPolarHBondContact OG1-CB 3.28Å; T2168-T2172 PolarHBondContact OG1-N 3.34Å; T2168-T2172 PolarHBondContact OG1-OG1 3.46Å; N2170-T2172 PolarHBondContact O-N 3.17Å; T2172-I2185 HydrophobicContact CG2-CG2 3.93Å; T2172-D2186 WeakPolarHBondContact CG2-OD2 3.31Å; T2172-L2209 HydrophobicContact CG2-CD1 4.27Å | ||
| 2173 | V | 69.3 | Low | 66.4 | Low | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.3 | -172.7 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | K2165 L2166 E2175 D2186 Y2214 | K2165-V2173 HydrophobicContact CG-CG1 4.33Å; L2166-V2173 WeakPolarHBondContact O-CA 3Å; V2173-E2175 HydrophobicContact CG1-CG 4.43Å; V2173-D2186 PolarHBondContact N-OD1 3.12Å; V2173-D2186 PolarHBondContact O-N 3.11Å; V2173-Y2214 HydrophobicContact CG2-CD1 3.81Å; V2173-Y2214 HydrophobicContact CG2-CD2 4.18Å; V2173-Y2214 HydrophobicContact CG2-CE1 4.48Å; V2173-Y2214 HydrophobicContact CG2-CG 3.64Å |
| 2174 | I | 69.7 | Low | 66.3 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 109.7 | 179.3 | -57.5 | 171 | 0 | 0 | 0 | 108.5 | F2127 V2144 L2166 T2168 V2176 L2183 I2185 | F2127-I2174 HydrophobicContact CD1-CD1 4.27Å; F2127-I2174 HydrophobicContact CD2-CD1 3.84Å; F2127-I2174 HydrophobicContact CE1-CD1 4.04Å; F2127-I2174 HydrophobicContact CE1-CG2 4.43Å; F2127-I2174 HydrophobicContact CE2-CD1 3.59Å; F2127-I2174 HydrophobicContact CG-CD1 4.18Å; F2127-I2174 HydrophobicContact CZ-CD1 3.7Å; F2127-I2174 HydrophobicContact CZ-CG2 4.36Å; V2144-I2174 HydrophobicContact CG2-CD1 4.44Å; L2166-I2174 HydrophobicContact CB-CB 4.23Å; L2166-I2174 PolarHBondContact N-O 3.49Å; L2166-I2174 PolarHBondContact O-N 2.96Å; T2168-I2174 HydrophobicContact CG2-CD1 3.99Å; I2174-V2176 HydrophobicContact CG2-CG2 4.22Å; I2174-L2183 HydrophobicContact CG2-CD2 3.92Å; I2174-I2185 HydrophobicContact CB-CG1 4.5Å; I2174-I2185 HydrophobicContact CG1-CB 4.45Å; I2174-I2185 HydrophobicContact CG1-CG1 3.95Å; I2174-I2185 HydrophobicContact CG1-CG2 3.88Å; I2174-I2185 HydrophobicContact CG2-CG1 4.22Å |
| 2175 | E | 70.4 | Confident | 65.8 | Low | 36 Ų | 36 | 42.6 Ų | 42.6 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.3 | 176.2 | -75.5 | -174.7 | 156.8 | 0 | 0 | 111.2 | P2163 I2164 K2165 V2173 Y2177 M2184 | P2163-E2175 HydrophobicContact CB-CB 4.1Å; P2163-E2175 HydrophobicContact CG-CB 4.25Å; P2163-E2175 HydrophobicContact CG-CG 4.17Å; I2164-E2175 CarbonylContact O-C 3.54Å; I2164-E2175 WeakPolarHBondContact O-CA 3.28Å; K2165-E2175 WeakPolarHBondContact CE-OE1 3.37Å; K2165-E2175 HydrophobicContact CG-CG 3.87Å; K2165-E2175 IonicContact NZ-OE1 2.59Å; K2165-E2175 PolarHBondContact NZ-OE1 2.85Å; V2173-E2175 HydrophobicContact CG1-CG 4.43Å; E2175-Y2177 HydrophobicContact CB-CE2 3.87Å; E2175-Y2177 PolarHBondContact OE2-OH 2.63Å; E2175-M2184 HydrophobicContact CB-CB 4.19Å; E2175-M2184 PolarHBondContact N-O 3.46Å; E2175-M2184 PolarHBondContact O-N 2.95Å |
| 2176 | V | 67.9 | Low | 65 | Low | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.5 | -176.4 | -163.7 | 0 | 0 | 0 | 0 | 111.6 | P2163 I2164 I2174 P2178 L2183 F2197 | P2163-V2176 WeakPolarHBondContact CA-O 3.31Å; P2163-V2176 WeakPolarHBondContact CB-O 3.09Å; I2164-V2176 HydrophobicContact CB-CB 4.22Å; I2164-V2176 PolarHBondContact N-O 3.18Å; I2164-V2176 PolarHBondContact O-N 3.24Å; I2174-V2176 HydrophobicContact CG2-CG2 4.22Å; V2176-P2178 WeakPolarHBondContact O-CD 3.46Å; V2176-L2183 HydrophobicContact CB-CD2 3.91Å; V2176-L2183 HydrophobicContact CG1-CD2 3.64Å; V2176-L2183 HydrophobicContact CG2-CD2 3.36Å; V2176-F2197 HydrophobicContact CB-CE2 4.15Å; V2176-F2197 HydrophobicContact CB-CZ 3.81Å; V2176-F2197 HydrophobicContact CG1-CE2 3.61Å; V2176-F2197 HydrophobicContact CG1-CZ 3.75Å; V2176-F2197 HydrophobicContact CG2-CE2 4.42Å; V2176-F2197 HydrophobicContact CG2-CZ 3.66Å |
| 2177 | Y | 64.4 | Low | 64.2 | Low | 39 Ų | 39 | 41.2 Ų | 41.2 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 94.6 | -174.5 | -68.2 | -98.9 | 0 | 0 | 0 | 111.3 | P2163 E2175 M2179 N2180 G2181 T2182 M2184 | P2163-Y2177 HydrophobicContact CB-CD1 4.01Å; P2163-Y2177 HydrophobicContact CB-CD2 4.02Å; P2163-Y2177 HydrophobicContact CB-CE1 3.78Å; P2163-Y2177 HydrophobicContact CB-CE2 3.75Å; P2163-Y2177 HydrophobicContact CB-CG 4.15Å; P2163-Y2177 HydrophobicContact CG-CE1 3.98Å; P2163-Y2177 HydrophobicContact CG-CE2 4.21Å; E2175-Y2177 HydrophobicContact CB-CE2 3.87Å; E2175-Y2177 PolarHBondContact OE2-OH 2.63Å; Y2177-M2179 VanDerWaalsContact C-N 3.31Å; Y2177-M2179 PolarHBondContact O-N 3.12Å; Y2177-M2179 VanDerWaalsContact O-N 3.16Å; Y2177-N2180 PolarHBondContact O-N 2.97Å; Y2177-G2181 PolarHBondContact O-N 2.79Å; Y2177-T2182 WeakPolarHBondContact CB-O 3.48Å; Y2177-T2182 PolarHBondContact N-O 2.78Å; Y2177-T2182 VanDerWaalsContact N-O 3.13Å; Y2177-M2184 HydrophobicContact CD2-CG 4.16Å; Y2177-M2184 HydrophobicContact CE2-CB 4.03Å; Y2177-M2184 HydrophobicContact CE2-CG 3.68Å |
| 2178 | P | 55.9 | Low | 63 | Low | 52 Ų | 52 | 43.9 Ų | 43.9 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -27.3 | -165.1 | -22.5 | 33.1 | 0 | 0 | 0 | 115.4 | A2158 I2164 V2176 N2180 | A2158-P2178 HydrophobicContact CB-CG 3.76Å; I2164-P2178 HydrophobicContact CD1-CG 4.16Å; V2176-P2178 WeakPolarHBondContact O-CD 3.46Å; P2178-N2180 VanDerWaalsContact C-N 3.31Å; P2178-N2180 PolarHBondContact O-N 2.98Å |
| 2179 | M | 51.7 | Low | 61.5 | Low | 139 Ų | 139 | 48.5 Ų | 48.5 | 69% | 0.685 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -19.4 | -177.5 | -68.2 | -169.7 | 175 | 0 | 0 | 113.8 | Y2177 | Y2177-M2179 VanDerWaalsContact C-N 3.31Å; Y2177-M2179 PolarHBondContact O-N 3.12Å; Y2177-M2179 VanDerWaalsContact O-N 3.16Å |
| 2180 | N | 50.5 | Low | 60.3 | Low | 92 Ų | 92 | 47.5 Ų | 47.5 | 49% | 0.492 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -7.6 | -173.6 | -66.1 | 10.9 | 0 | 0 | 0 | 113.3 | Y2177 P2178 T2182 | Y2177-N2180 PolarHBondContact O-N 2.97Å; P2178-N2180 VanDerWaalsContact C-N 3.31Å; P2178-N2180 PolarHBondContact O-N 2.98Å; N2180-T2182 HydrophobicContact CB-CG2 4.14Å; N2180-T2182 PolarHBondContact O-N 3.41Å |
| 2181 | G | 50.2 | Low | 58.6 | Low | 16 Ų | 16 | 51.8 Ų | 51.8 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 10.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y2177 T2194 | Y2177-G2181 PolarHBondContact O-N 2.79Å; G2181-T2194 PolarHBondContact O-N 3.21Å |
| 2182 | T | 56.5 | Low | 57.1 | Low | 33 Ų | 33 | 55.2 Ų | 55.2 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.3 | -173.9 | 53 | 0 | 0 | 0 | 0 | 112.1 | Y2177 N2180 L2189 | Y2177-T2182 WeakPolarHBondContact CB-O 3.48Å; Y2177-T2182 PolarHBondContact N-O 2.78Å; Y2177-T2182 VanDerWaalsContact N-O 3.13Å; N2180-T2182 HydrophobicContact CB-CG2 4.14Å; N2180-T2182 PolarHBondContact O-N 3.41Å; T2182-L2189 HydrophobicContact CG2-CD1 3.9Å; T2182-L2189 HydrophobicContact CG2-CG 4.44Å |
| 2183 | L | 56.8 | Low | 55.5 | Low | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 148.6 | 157.5 | -65.8 | 172.4 | 0 | 0 | 0 | 110.1 | F2127 I2174 V2176 I2185 A2190 T2194 L2205 | F2127-L2183 HydrophobicContact CE1-CD1 4.44Å; I2174-L2183 HydrophobicContact CG2-CD2 3.92Å; V2176-L2183 HydrophobicContact CB-CD2 3.91Å; V2176-L2183 HydrophobicContact CG1-CD2 3.64Å; V2176-L2183 HydrophobicContact CG2-CD2 3.36Å; L2183-I2185 HydrophobicContact CB-CD1 4.38Å; L2183-A2190 HydrophobicContact CB-CB 3.82Å; L2183-A2190 PolarHBondContact O-N 3.05Å; L2183-T2194 HydrophobicContact CD1-CG2 4.3Å; L2183-T2194 VanDerWaalsContact CD1-OG1 3.25Å; L2183-T2194 WeakPolarHBondContact CD1-OG1 3.47Å; L2183-T2194 WeakPolarHBondContact CG-OG1 3.34Å; L2183-L2205 HydrophobicContact CD1-CD2 4.42Å |
| 2184 | M | 64.9 | Low | 54 | Low | 42 Ų | 42 | 63.8 Ų | 63.8 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118 | 161.4 | -69.6 | -99.8 | -75.6 | 0 | 0 | 107.2 | E2175 Y2177 G2187 H2188 L2189 | E2175-M2184 HydrophobicContact CB-CB 4.19Å; E2175-M2184 PolarHBondContact N-O 3.46Å; E2175-M2184 PolarHBondContact O-N 2.95Å; Y2177-M2184 HydrophobicContact CD2-CG 4.16Å; Y2177-M2184 HydrophobicContact CE2-CB 4.03Å; Y2177-M2184 HydrophobicContact CE2-CG 3.68Å; M2184-G2187 WeakPolarHBondContact CE-O 3.27Å; M2184-H2188 CarbonylContact C-O 3.5Å; M2184-H2188 VanDerWaalsContact CA-O 3.26Å; M2184-H2188 WeakPolarHBondContact CA-O 3.45Å; M2184-L2189 HydrophobicContact CG-CD1 3.98Å; M2184-L2189 HydrophobicContact SD-CB 3.82Å; M2184-L2189 HydrophobicContact SD-CD1 3.69Å; M2184-L2189 HydrophobicContact SD-CG 4.4Å; M2184-L2189 PolarHBondContact SD-N 2.69Å; M2184-L2189 VanDerWaalsContact SD-N 3.43Å |
| 2185 | I | 59.5 | Low | 52.4 | Low | 21 Ų | 21 | 67.7 Ų | 67.7 | 11% | 0.108 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.8 | 172.4 | -50 | 96.3 | 0 | 0 | 0 | 108.4 | T2172 I2174 L2183 G2187 H2188 A2190 L2209 | T2172-I2185 HydrophobicContact CG2-CG2 3.93Å; I2174-I2185 HydrophobicContact CB-CG1 4.5Å; I2174-I2185 HydrophobicContact CG1-CB 4.45Å; I2174-I2185 HydrophobicContact CG1-CG1 3.95Å; I2174-I2185 HydrophobicContact CG1-CG2 3.88Å; I2174-I2185 HydrophobicContact CG2-CG1 4.22Å; L2183-I2185 HydrophobicContact CB-CD1 4.38Å; I2185-G2187 PolarHBondContact O-N 2.76Å; I2185-H2188 PolarHBondContact N-O 2.96Å; I2185-H2188 PolarHBondContact O-N 2.86Å; I2185-A2190 HydrophobicContact CD1-CB 4.38Å; I2185-L2209 HydrophobicContact CB-CD2 3.95Å; I2185-L2209 HydrophobicContact CD1-CD2 4.04Å; I2185-L2209 HydrophobicContact CG1-CD2 3.82Å; I2185-L2209 HydrophobicContact CG2-CD1 4.14Å; I2185-L2209 HydrophobicContact CG2-CD2 3.72Å; I2185-L2209 HydrophobicContact CG2-CG 4.47Å |
| 2186 | D | 56.4 | Low | 51 | Low | 40 Ų | 40 | 72.8 Ų | 72.8 | 21% | 0.214 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 26.9 | -172.9 | -62.3 | -20.7 | 0 | 0 | 0 | 114.9 | T2172 V2173 T2212 | T2172-D2186 WeakPolarHBondContact CG2-OD2 3.31Å; V2173-D2186 PolarHBondContact N-OD1 3.12Å; V2173-D2186 PolarHBondContact O-N 3.11Å; D2186-T2212 WeakPolarHBondContact CB-OG1 3.39Å; D2186-T2212 PolarHBondContact OD2-OG1 3.17Å |
| 2187 | G | 56.9 | Low | 49.3 | Very low | 42 Ų | 42 | 73.7 Ų | 73.7 | 43% | 0.433 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 0.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | M2184 I2185 | M2184-G2187 WeakPolarHBondContact CE-O 3.27Å; I2185-G2187 PolarHBondContact O-N 2.76Å |
| 2188 | H | 50.2 | Low | 48 | Very low | 139 Ų | 139 | 73.8 Ų | 73.8 | 64% | 0.644 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.4 | 174.1 | -70.7 | -73.2 | 0 | 0 | 0 | 112.1 | M2184 I2185 A2190 | M2184-H2188 CarbonylContact C-O 3.5Å; M2184-H2188 VanDerWaalsContact CA-O 3.26Å; M2184-H2188 WeakPolarHBondContact CA-O 3.45Å; I2185-H2188 PolarHBondContact N-O 2.96Å; I2185-H2188 PolarHBondContact O-N 2.86Å; H2188-A2190 PolarHBondContact O-N 3.29Å |
| 2189 | L | 49.2 | Very low | 47 | Very low | 104 Ų | 104 | 74.4 Ų | 74.4 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 125.8 | 179.9 | -163 | 85.1 | 0 | 0 | 0 | 111.2 | T2182 M2184 | T2182-L2189 HydrophobicContact CG2-CD1 3.9Å; T2182-L2189 HydrophobicContact CG2-CG 4.44Å; M2184-L2189 HydrophobicContact CG-CD1 3.98Å; M2184-L2189 HydrophobicContact SD-CB 3.82Å; M2184-L2189 HydrophobicContact SD-CD1 3.69Å; M2184-L2189 HydrophobicContact SD-CG 4.4Å; M2184-L2189 PolarHBondContact SD-N 2.69Å; M2184-L2189 VanDerWaalsContact SD-N 3.43Å |
| 2190 | A | 47.9 | Very low | 46.4 | Very low | 22 Ų | 22 | 68.3 Ų | 68.3 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 136.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | L2183 I2185 H2188 F2192 | L2183-A2190 HydrophobicContact CB-CB 3.82Å; L2183-A2190 PolarHBondContact O-N 3.05Å; I2185-A2190 HydrophobicContact CD1-CB 4.38Å; H2188-A2190 PolarHBondContact O-N 3.29Å; A2190-F2192 VanDerWaalsContact C-N 3.29Å; A2190-F2192 PolarHBondContact O-N 3.17Å |
| 2191 | Q | 41 | Very low | 45.7 | Very low | 153 Ų | 153 | 64.7 Ų | 64.7 | 72% | 0.715 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -78.6 | -6.8 | -168 | -67.9 | -176.8 | -15.3 | 0 | 0 | 114.9 | ||
| 2192 | F | 40.9 | Very low | 45.2 | Very low | 147 Ų | 147 | 67.1 Ų | 67.1 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -139.4 | 151.8 | -179.2 | -63.4 | -79.9 | 0 | 0 | 0 | 111.4 | A2190 T2194 | A2190-F2192 VanDerWaalsContact C-N 3.29Å; A2190-F2192 PolarHBondContact O-N 3.17Å; F2192-T2194 PolarHBondContact O-N 3.17Å |
| 2193 | E | 35.8 | Very low | 44.5 | Very low | 159 Ų | 159 | 67.5 Ų | 67.5 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | trans | -61.5 | 129.7 | 179.4 | -71.8 | -169.6 | 127.3 | 0 | 0 | 111.8 | V2195 | E2193-V2195 HydrophobicContact CB-CG2 4.21Š| ||
| 2194 | T | 38.1 | Very low | 43.6 | Very low | 40 Ų | 40 | 74.9 Ų | 74.9 | 25% | 0.245 | 38% | 0.375 | C | S | . | . | trans | -131.3 | 112.2 | 179.3 | 30.8 | 0 | 0 | 0 | 0 | 108.3 | G2181 L2183 F2192 | G2181-T2194 PolarHBondContact O-N 3.21Å; L2183-T2194 HydrophobicContact CD1-CG2 4.3Å; L2183-T2194 VanDerWaalsContact CD1-OG1 3.25Å; L2183-T2194 WeakPolarHBondContact CD1-OG1 3.47Å; L2183-T2194 WeakPolarHBondContact CG-OG1 3.34Å; F2192-T2194 PolarHBondContact O-N 3.17Å | ||
| 2195 | V | 36 | Very low | 42.5 | Very low | 82 Ų | 82 | 73.8 Ų | 73.8 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | trans | -129.3 | 126.9 | -153.7 | 177.8 | 0 | 0 | 0 | 0 | 113.3 | E2193 | E2193-V2195 HydrophobicContact CB-CG2 4.21Š| ||
| 2196 | K | 40 | Very low | 41.5 | Very low | 143 Ų | 143 | 75.5 Ų | 75.5 | 62% | 0.622 | 38% | 0.384 | S | S | * | . | trans | 67.6 | 99.7 | 165.5 | -75 | 173 | -179.9 | 171.2 | 0 | 118.4 | Y2203 | K2196-Y2203 PolarHBondContact O-OH 2.71Å; K2196-Y2203 VanDerWaalsContact O-OH 3.07Å | ||
| 2197 | F | 32.5 | Very low | 40.7 | Very low | 30 Ų | 30 | 78.1 Ų | 78.1 | 13% | 0.132 | 40% | 0.398 | C | S | . | . | trans | -54.2 | 128.1 | 156.3 | -49.5 | -113 | 0 | 0 | 0 | 113.9 | L2150 L2155 I2164 L2166 V2176 Y2203 | L2150-F2197 HydrophobicContact CD1-CD1 4.04Å; L2150-F2197 HydrophobicContact CD1-CE1 3.7Å; L2150-F2197 HydrophobicContact CD1-CZ 4.46Å; L2150-F2197 HydrophobicContact CD2-CD1 4.2Å; L2150-F2197 HydrophobicContact CD2-CE1 4.3Å; L2155-F2197 HydrophobicContact CD1-CB 4.2Å; L2155-F2197 HydrophobicContact CD1-CD2 3.45Å; L2155-F2197 VanDerWaalsContact CD1-CD2 3.45Å; L2155-F2197 HydrophobicContact CD1-CE2 3.75Å; L2155-F2197 HydrophobicContact CD1-CG 3.9Å; L2155-F2197 HydrophobicContact CD1-CZ 4.42Å; L2155-F2197 HydrophobicContact CD2-CD2 4.2Å; L2155-F2197 HydrophobicContact CG-CD2 4.28Å; I2164-F2197 HydrophobicContact CD1-CE2 4.17Å; I2164-F2197 HydrophobicContact CD1-CZ 4.17Å; L2166-F2197 HydrophobicContact CD1-CE1 4.19Å; V2176-F2197 HydrophobicContact CB-CE2 4.15Å; V2176-F2197 HydrophobicContact CB-CZ 3.81Å; V2176-F2197 HydrophobicContact CG1-CE2 3.61Å; V2176-F2197 HydrophobicContact CG1-CZ 3.75Å; V2176-F2197 HydrophobicContact CG2-CE2 4.42Å; V2176-F2197 HydrophobicContact CG2-CZ 3.66Å; F2197-Y2203 WeakPolarHBondContact CA-OH 3.16Å | ||
| 2198 | V | 37 | Very low | 40.2 | Very low | 41 Ų | 41 | 78.1 Ų | 78.1 | 25% | 0.248 | 39% | 0.391 | C | S | . | . | trans | -139.9 | 158 | 138.2 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | S2078 G2200 E2201 | S2078-V2198 WeakPolarHBondContact OG-CG2 3.4Å; V2198-G2200 PolarHBondContact O-N 3.32Å; V2198-E2201 PolarHBondContact N-OE1 3.14Å | ||
| 2199 | N | 35.6 | Very low | 40.1 | Very low | 65 Ų | 65 | 72.4 Ų | 72.4 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -26.8 | 115.1 | 177.2 | -57.2 | -13.5 | 0 | 0 | 0 | 115.9 | I2076 | I2076-N2199 HydrophobicContact CD1-CB 4.34Å; I2076-N2199 WeakPolarHBondContact CD1-O 3.45Å |
| 2200 | G | 38.3 | Very low | 39.9 | Very low | 11 Ų | 11 | 75.9 Ų | 75.9 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 1.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | V2086 V2198 | V2086-G2200 WeakPolarHBondContact CG2-O 3.45Å; V2198-G2200 PolarHBondContact O-N 3.32Å |
| 2201 | E | 36.9 | Very low | 39.6 | Very low | 16 Ų | 16 | 82.2 Ų | 82.2 | 8% | 0.075 | 40% | 0.401 | C | S | . | . | trans | -68.9 | 132.6 | 179.3 | -69.6 | 177.6 | -142.3 | 0 | 0 | 113.3 | H2083 V2198 Y2203 | H2083-E2201 HydrophobicContact CB-CG 4.02Å; H2083-E2201 IonicContact CE1-OE1 2.81Å; H2083-E2201 IonicContact CE1-OE2 3.59Å; H2083-E2201 PolarHBondContact CE1-OE2 2.89Å; H2083-E2201 IonicContact CG-OE1 3.67Å; H2083-E2201 IonicContact ND1-OE1 3.19Å; H2083-E2201 PolarHBondContact ND1-OE1 2.85Å; H2083-E2201 IonicContact ND1-OE2 3.77Å; H2083-E2201 PolarHBondContact ND1-OE2 3.05Å; V2198-E2201 PolarHBondContact N-OE1 3.14Å; E2201-Y2203 HydrophobicContact CB-CE1 4.25Å; E2201-Y2203 HydrophobicContact CB-CE2 3.8Å; E2201-Y2203 VanDerWaalsContact CB-OH 3.31Å; E2201-Y2203 WeakPolarHBondContact CB-OH 3.34Å; E2201-Y2203 VanDerWaalsContact CD-OH 3.27Å; E2201-Y2203 WeakPolarHBondContact O-CE2 3.47Å; E2201-Y2203 PolarHBondContact OE2-OH 2.89Å | ||
| 2202 | L | 38.3 | Very low | 39.2 | Very low | 66 Ų | 66 | 78.4 Ų | 78.4 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 133.1 | 167.5 | -137.1 | 85.4 | 0 | 0 | 0 | 109.3 | I2126 V2128 | I2126-L2202 HydrophobicContact CB-CD1 3.92Å; I2126-L2202 HydrophobicContact CB-CG 4.34Å; I2126-L2202 HydrophobicContact CD1-CD1 4.06Å; I2126-L2202 HydrophobicContact CG1-CD1 4.32Å; I2126-L2202 HydrophobicContact CG2-CD1 4.44Å; V2128-L2202 HydrophobicContact CG2-CD2 3.79Å; V2128-L2202 HydrophobicContact CG2-CG 4.24Å |
| 2203 | Y | 41.5 | Very low | 38.8 | Very low | 41 Ų | 41 | 77.7 Ų | 77.7 | 16% | 0.161 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.6 | 178.5 | -65.9 | -72.2 | 0 | 0 | 0 | 111.2 | I2126 F2127 V2128 K2196 F2197 E2201 | I2126-Y2203 PolarHBondContact O-N 2.9Å; F2127-Y2203 CarbonylContact C-O 3.59Å; F2127-Y2203 VanDerWaalsContact CA-O 3.32Å; F2127-Y2203 WeakPolarHBondContact CA-O 3.15Å; V2128-Y2203 PolarHBondContact N-O 3.29Å; K2196-Y2203 PolarHBondContact O-OH 2.71Å; K2196-Y2203 VanDerWaalsContact O-OH 3.07Å; F2197-Y2203 WeakPolarHBondContact CA-OH 3.16Å; E2201-Y2203 HydrophobicContact CB-CE1 4.25Å; E2201-Y2203 HydrophobicContact CB-CE2 3.8Å; E2201-Y2203 VanDerWaalsContact CB-OH 3.31Å; E2201-Y2203 WeakPolarHBondContact CB-OH 3.34Å; E2201-Y2203 VanDerWaalsContact CD-OH 3.27Å; E2201-Y2203 WeakPolarHBondContact O-CE2 3.47Å; E2201-Y2203 PolarHBondContact OE2-OH 2.89Å |
| 2204 | Y | 38.6 | Very low | 38.6 | Very low | 168 Ų | 168 | 75.7 Ų | 75.7 | 66% | 0.659 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131 | 176.1 | -65.3 | -89.2 | 0 | 0 | 0 | 110.7 | V2128 | V2128-Y2204 HydrophobicContact CB-CD1 3.93Å; V2128-Y2204 HydrophobicContact CB-CE1 4.2Å; V2128-Y2204 HydrophobicContact CG1-CD1 4.13Å; V2128-Y2204 HydrophobicContact CG1-CE1 4.18Å; V2128-Y2204 CarbonylContact O-C 3.6Å; V2128-Y2204 VanDerWaalsContact O-CA 3.31Å; V2128-Y2204 WeakPolarHBondContact O-CA 3.25Å |
| 2205 | L | 41.1 | Very low | 38.1 | Very low | 19 Ų | 19 | 80.1 Ų | 80.1 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | trans | -100.3 | 144.4 | 166.6 | -66.5 | -178.6 | 0 | 0 | 0 | 109.5 | F2127 V2128 P2129 S2130 L2183 N2207 L2209 | F2127-L2205 HydrophobicContact CB-CD1 3.81Å; F2127-L2205 HydrophobicContact CB-CG 4.07Å; F2127-L2205 HydrophobicContact CD1-CD1 4.41Å; F2127-L2205 HydrophobicContact CD1-CD2 4.38Å; F2127-L2205 HydrophobicContact CD1-CG 4.35Å; V2128-L2205 PolarHBondContact O-N 3.33Å; P2129-L2205 CarbonylContact C-O 3.51Å; P2129-L2205 VanDerWaalsContact CA-O 3.32Å; P2129-L2205 WeakPolarHBondContact CA-O 3.21Å; S2130-L2205 PolarHBondContact N-O 2.83Å; L2183-L2205 HydrophobicContact CD1-CD2 4.42Å; L2205-N2207 VanDerWaalsContact C-N 3.3Å; L2205-N2207 PolarHBondContact O-N 3.45Å; L2205-L2209 HydrophobicContact CD1-CD1 4.44Å; L2205-L2209 HydrophobicContact CD1-CD2 3.63Å; L2205-L2209 HydrophobicContact CD1-CG 3.97Å | ||
| 2206 | S | 39.7 | Very low | 37.8 | Very low | 58 Ų | 58 | 84.1 Ų | 84.1 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -78.4 | -12 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | S2130 | S2130-S2206 WeakPolarHBondContact CB-O 3.28Å; S2130-S2206 PolarHBondContact OG-O 2.72Å |
| 2207 | N | 39.1 | Very low | 37.3 | Very low | 95 Ų | 95 | 86.6 Ų | 86.6 | 51% | 0.508 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -145.7 | 152.8 | 179.1 | -76.1 | -55.9 | 0 | 0 | 0 | 109.6 | L2205 | L2205-N2207 VanDerWaalsContact C-N 3.3Å; L2205-N2207 PolarHBondContact O-N 3.45Å |
| 2208 | P | 47.1 | Very low | 37.1 | Very low | 42 Ų | 42 | 92.6 Ų | 92.6 | 27% | 0.273 | 45% | 0.453 | S | S | . | . | trans | -62.6 | 146.7 | 168.6 | 28.2 | -34.9 | 0 | 0 | 0 | 111.2 | P2129 | P2129-P2208 HydrophobicContact CB-CB 4.16Å; P2129-P2208 HydrophobicContact CG-CB 4.49Å | ||
| 2209 | L | 48.5 | Very low | 37 | Very low | 18 Ų | 18 | 96.2 Ų | 96.2 | 9% | 0.094 | 47% | 0.471 | C | S | . | . | trans | -61.2 | 149.5 | 167.3 | -59 | -178.6 | 0 | 0 | 0 | 109.6 | E2141 H2142 T2172 I2185 L2205 | E2141-L2209 WeakPolarHBondContact O-CD1 3.5Å; H2142-L2209 PolarHBondContact NE2-N 2.81Å; T2172-L2209 HydrophobicContact CG2-CD1 4.27Å; I2185-L2209 HydrophobicContact CB-CD2 3.95Å; I2185-L2209 HydrophobicContact CD1-CD2 4.04Å; I2185-L2209 HydrophobicContact CG1-CD2 3.82Å; I2185-L2209 HydrophobicContact CG2-CD1 4.14Å; I2185-L2209 HydrophobicContact CG2-CD2 3.72Å; I2185-L2209 HydrophobicContact CG2-CG 4.47Å; L2205-L2209 HydrophobicContact CD1-CD1 4.44Å; L2205-L2209 HydrophobicContact CD1-CD2 3.63Å; L2205-L2209 HydrophobicContact CD1-CG 3.97Å | ||
| 2210 | K | 44.8 | Very low | 37 | Very low | 178 Ų | 178 | 97.3 Ų | 97.3 | 77% | 0.774 | 48% | 0.484 | S | S | * | . | trans | -131.2 | 132.9 | -177.5 | -74.6 | -164.9 | 173.6 | -170.6 | 0 | 111 | T2212 | K2210-T2212 PolarHBondContact O-N 3.36Š| ||
| 2211 | H | 40.6 | Very low | 36.9 | Very low | 154 Ų | 154 | 105.4 Ų | 105.4 | 71% | 0.713 | 51% | 0.513 | S | S | * | . | trans | -30.7 | 114.3 | -176.4 | -69.8 | -40.5 | 0 | 0 | 0 | 117 | E2141 | E2141-H2211 IonicContact OE1-ND1 3.34Š| ||
| 2212 | T | 33.6 | Very low | 37.2 | Very low | 74 Ų | 74 | 108.1 Ų | 108.1 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | trans | -144 | 109.9 | 144.5 | 24.8 | 0 | 0 | 0 | 0 | 109.7 | D2186 K2210 Y2214 | D2186-T2212 WeakPolarHBondContact CB-OG1 3.39Å; D2186-T2212 PolarHBondContact OD2-OG1 3.17Å; K2210-T2212 PolarHBondContact O-N 3.36Å; T2212-Y2214 PolarHBondContact O-N 2.98Å | ||
| 2213 | V | 31 | Very low | 37.2 | Very low | 131 Ų | 131 | 112 Ų | 112 | 79% | 0.794 | 54% | 0.544 | S | S | * | . | trans | -71 | 117 | -178.4 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | I2215 | V2213-I2215 PolarHBondContact O-N 3.19Š| ||
| 2214 | Y | 32 | Very low | 37.5 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 46% | 0.459 | 56% | 0.558 | S | S | . | * | trans | -79.1 | 105.6 | 177.3 | -176.2 | -99.6 | 0 | 0 | 0 | 112 | V2173 T2212 | V2173-Y2214 HydrophobicContact CG2-CD1 3.81Å; V2173-Y2214 HydrophobicContact CG2-CD2 4.18Å; V2173-Y2214 HydrophobicContact CG2-CE1 4.48Å; V2173-Y2214 HydrophobicContact CG2-CG 3.64Å; T2212-Y2214 PolarHBondContact O-N 2.98Å | ||
| 2215 | I | 28.4 | Very low | 37.8 | Very low | 134 Ų | 134 | 110.8 Ų | 110.8 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | trans | -81 | 128.5 | 179 | -58.8 | 176.3 | 0 | 0 | 0 | 111 | V2213 K2217 | V2213-I2215 PolarHBondContact O-N 3.19Å; I2215-K2217 PolarHBondContact O-N 3.07Å; I2215-K2217 VanDerWaalsContact O-N 3.12Å | ||
| 2216 | Y | 29.4 | Very low | 38.2 | Very low | 166 Ų | 166 | 113.9 Ų | 113.9 | 65% | 0.651 | 57% | 0.566 | S | S | * | * | trans | -58.7 | 107.7 | -179 | -85.8 | -102.1 | 0 | 0 | 0 | 113.7 | L2218 | Y2216-L2218 PolarHBondContact O-N 2.74Š| ||
| 2217 | K | 29.8 | Very low | 38.7 | Very low | 194 Ų | 194 | 113.6 Ų | 113.6 | 84% | 0.843 | 56% | 0.563 | S | S | * | * | trans | -90.6 | 78.3 | 163.6 | -93 | 179.8 | 176.2 | 168.8 | 0 | 112.3 | I2215 N2219 | I2215-K2217 PolarHBondContact O-N 3.07Å; I2215-K2217 VanDerWaalsContact O-N 3.12Å; K2217-N2219 PolarHBondContact O-N 3.42Å; K2217-N2219 VanDerWaalsContact O-N 3.13Å | ||
| 2218 | L | 28 | Very low | 39.8 | Very low | 156 Ų | 156 | 113.2 Ų | 113.2 | 82% | 0.817 | 56% | 0.559 | S | S | * | * | trans | -59.1 | 104 | 169.7 | -172.7 | 87.8 | 0 | 0 | 0 | 111.2 | Y2216 | Y2216-L2218 PolarHBondContact O-N 2.74Š| ||
| 2219 | N | 34.2 | Very low | 40.6 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | trans | -161 | 5.6 | 167.7 | -112.6 | -48.1 | 0 | 0 | 0 | 118.4 | K2217 Y2221 V2222 | K2217-N2219 PolarHBondContact O-N 3.42Å; K2217-N2219 VanDerWaalsContact O-N 3.13Å; N2219-Y2221 VanDerWaalsContact C-N 3.31Å; N2219-Y2221 PolarHBondContact O-N 3.43Å; N2219-V2222 PolarHBondContact O-N 3.41Å; N2219-V2222 WeakPolarHBondContact OD1-CG2 3.5Å | ||
| 2220 | S | 35.9 | Very low | 41.1 | Very low | 88 Ų | 88 | 117.6 Ų | 117.6 | 62% | 0.615 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65 | -31.3 | -178.3 | -170.7 | 0 | 0 | 0 | 0 | 113.8 | V2222 F2223 I2224 | S2220-V2222 VanDerWaalsContact C-N 3.25Å; S2220-V2222 PolarHBondContact O-N 2.77Å; S2220-F2223 PolarHBondContact O-N 3.17Å; S2220-I2224 PolarHBondContact O-N 3.19Å; S2220-I2224 VanDerWaalsContact O-N 3.13Å |
| 2221 | Y | 36 | Very low | 41.7 | Very low | 182 Ų | 182 | 115 Ų | 115 | 71% | 0.714 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.8 | -33.9 | -178.6 | -144 | -84.9 | 0 | 0 | 0 | 112.8 | N2219 I2224 L2225 | N2219-Y2221 VanDerWaalsContact C-N 3.31Å; N2219-Y2221 PolarHBondContact O-N 3.43Å; Y2221-I2224 PolarHBondContact O-N 3.3Å; Y2221-L2225 HydrophobicContact CD1-CD1 3.85Å; Y2221-L2225 HydrophobicContact CD1-CG 4.19Å; Y2221-L2225 HydrophobicContact CE1-CD1 4.14Å; Y2221-L2225 HydrophobicContact CE1-CG 4.37Å; Y2221-L2225 WeakPolarHBondContact O-CG 3.28Å; Y2221-L2225 PolarHBondContact O-N 2.97Å |
| 2222 | V | 43.6 | Very low | 43 | Very low | 73 Ų | 73 | 112.5 Ų | 112.5 | 44% | 0.442 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.1 | -40.4 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | N2219 S2220 L2225 I2226 | N2219-V2222 PolarHBondContact O-N 3.41Å; N2219-V2222 WeakPolarHBondContact OD1-CG2 3.5Å; S2220-V2222 VanDerWaalsContact C-N 3.25Å; S2220-V2222 PolarHBondContact O-N 2.77Å; V2222-L2225 PolarHBondContact O-N 3.38Å; V2222-I2226 HydrophobicContact CG1-CD1 3.73Å; V2222-I2226 HydrophobicContact CG1-CG1 4.39Å; V2222-I2226 WeakPolarHBondContact O-CB 3.16Å; V2222-I2226 VanDerWaalsContact O-CG1 3.27Å; V2222-I2226 WeakPolarHBondContact O-CG1 3.34Å; V2222-I2226 PolarHBondContact O-N 2.78Å |
| 2223 | F | 39.3 | Very low | 44.3 | Very low | 147 Ų | 147 | 114 Ų | 114 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.2 | -34.3 | 179.7 | -146.3 | -87 | 0 | 0 | 0 | 112.5 | S2220 T2227 | S2220-F2223 PolarHBondContact O-N 3.17Å; F2223-T2227 HydrophobicContact CD1-CG2 3.77Å; F2223-T2227 HydrophobicContact CE1-CG2 3.72Å; F2223-T2227 WeakPolarHBondContact O-CB 3.21Å; F2223-T2227 WeakPolarHBondContact O-CG2 3.32Å; F2223-T2227 PolarHBondContact O-N 2.97Å; F2223-T2227 PolarHBondContact O-OG1 3.27Å |
| 2224 | I | 46.2 | Very low | 45.4 | Very low | 87 Ų | 87 | 110.5 Ų | 110.5 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.7 | -45.5 | 173.2 | -64.7 | 173.7 | 0 | 0 | 0 | 110.5 | S2220 Y2221 I2226 T2227 I2228 | S2220-I2224 PolarHBondContact O-N 3.19Å; S2220-I2224 VanDerWaalsContact O-N 3.13Å; Y2221-I2224 PolarHBondContact O-N 3.3Å; I2224-I2226 PolarHBondContact O-N 3.5Å; I2224-T2227 WeakPolarHBondContact CA-OG1 3.14Å; I2224-T2227 PolarHBondContact O-N 3.29Å; I2224-T2227 PolarHBondContact O-OG1 3.27Å; I2224-T2227 VanDerWaalsContact O-OG1 3.12Å; I2224-I2228 HydrophobicContact CG2-CD1 3.75Å; I2224-I2228 HydrophobicContact CG2-CG1 4.46Å; I2224-I2228 WeakPolarHBondContact O-CB 3.46Å; I2224-I2228 VanDerWaalsContact O-CG1 3.29Å; I2224-I2228 WeakPolarHBondContact O-CG1 2.98Å; I2224-I2228 PolarHBondContact O-N 2.83Å |
| 2225 | L | 45.3 | Very low | 46.7 | Very low | 97 Ų | 97 | 107 Ų | 107 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -40.4 | 175.9 | -72.1 | 171.9 | 0 | 0 | 0 | 112.6 | Y2221 V2222 S2229 | Y2221-L2225 HydrophobicContact CD1-CD1 3.85Å; Y2221-L2225 HydrophobicContact CD1-CG 4.19Å; Y2221-L2225 HydrophobicContact CE1-CD1 4.14Å; Y2221-L2225 HydrophobicContact CE1-CG 4.37Å; Y2221-L2225 WeakPolarHBondContact O-CG 3.28Å; Y2221-L2225 PolarHBondContact O-N 2.97Å; V2222-L2225 PolarHBondContact O-N 3.38Å; L2225-S2229 VanDerWaalsContact O-CB 3.3Å; L2225-S2229 WeakPolarHBondContact O-CB 3.39Å; L2225-S2229 PolarHBondContact O-N 3.21Å; L2225-S2229 PolarHBondContact O-OG 3.21Å |
| 2226 | I | 50.6 | Low | 48 | Very low | 83 Ų | 83 | 105.9 Ų | 105.9 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 175.7 | -72.4 | 171.8 | 0 | 0 | 0 | 111.1 | V2222 I2224 S2229 I2230 | V2222-I2226 HydrophobicContact CG1-CD1 3.73Å; V2222-I2226 HydrophobicContact CG1-CG1 4.39Å; V2222-I2226 WeakPolarHBondContact O-CB 3.16Å; V2222-I2226 VanDerWaalsContact O-CG1 3.27Å; V2222-I2226 WeakPolarHBondContact O-CG1 3.34Å; V2222-I2226 PolarHBondContact O-N 2.78Å; I2224-I2226 PolarHBondContact O-N 3.5Å; I2226-S2229 PolarHBondContact O-N 3.36Å; I2226-I2230 HydrophobicContact CG2-CD1 3.63Å; I2226-I2230 HydrophobicContact CG2-CG1 4.36Å; I2226-I2230 WeakPolarHBondContact O-CB 3.42Å; I2226-I2230 VanDerWaalsContact O-CG1 3.3Å; I2226-I2230 WeakPolarHBondContact O-CG1 3.37Å; I2226-I2230 PolarHBondContact O-N 2.97Å |
| 2227 | T | 49.1 | Very low | 49.3 | Very low | 53 Ų | 53 | 101.4 Ų | 101.4 | 33% | 0.325 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | -179.9 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | F2223 I2224 I2230 L2231 | F2223-T2227 HydrophobicContact CD1-CG2 3.77Å; F2223-T2227 HydrophobicContact CE1-CG2 3.72Å; F2223-T2227 WeakPolarHBondContact O-CB 3.21Å; F2223-T2227 WeakPolarHBondContact O-CG2 3.32Å; F2223-T2227 PolarHBondContact O-N 2.97Å; F2223-T2227 PolarHBondContact O-OG1 3.27Å; I2224-T2227 WeakPolarHBondContact CA-OG1 3.14Å; I2224-T2227 PolarHBondContact O-N 3.29Å; I2224-T2227 PolarHBondContact O-OG1 3.27Å; I2224-T2227 VanDerWaalsContact O-OG1 3.12Å; T2227-I2230 PolarHBondContact O-N 3.4Å; T2227-L2231 WeakPolarHBondContact O-CB 3.46Å; T2227-L2231 VanDerWaalsContact O-CG 3.23Å; T2227-L2231 WeakPolarHBondContact O-CG 3.34Å; T2227-L2231 PolarHBondContact O-N 3.04Å |
| 2228 | I | 62.2 | Low | 50.5 | Low | 86 Ų | 86 | 95.6 Ų | 95.6 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 171.4 | -69.3 | 170.4 | 0 | 0 | 0 | 110.8 | I2224 I2230 L2231 I2232 | I2224-I2228 HydrophobicContact CG2-CD1 3.75Å; I2224-I2228 HydrophobicContact CG2-CG1 4.46Å; I2224-I2228 WeakPolarHBondContact O-CB 3.46Å; I2224-I2228 VanDerWaalsContact O-CG1 3.29Å; I2224-I2228 WeakPolarHBondContact O-CG1 2.98Å; I2224-I2228 PolarHBondContact O-N 2.83Å; I2228-I2230 PolarHBondContact O-N 3.12Å; I2228-L2231 PolarHBondContact O-N 2.84Å; I2228-I2232 HydrophobicContact CG2-CD1 3.8Å; I2228-I2232 HydrophobicContact CG2-CG1 4.5Å; I2228-I2232 VanDerWaalsContact O-CG1 3.32Å; I2228-I2232 WeakPolarHBondContact O-CG1 3.46Å; I2228-I2232 PolarHBondContact O-N 3.21Å |
| 2229 | S | 63.7 | Low | 51.4 | Low | 64 Ų | 64 | 93.7 Ų | 93.7 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 112 | L2225 I2226 I2232 I2233 | L2225-S2229 VanDerWaalsContact O-CB 3.3Å; L2225-S2229 WeakPolarHBondContact O-CB 3.39Å; L2225-S2229 PolarHBondContact O-N 3.21Å; L2225-S2229 PolarHBondContact O-OG 3.21Å; I2226-S2229 PolarHBondContact O-N 3.36Å; S2229-I2232 PolarHBondContact O-N 2.88Å; S2229-I2233 WeakPolarHBondContact O-CD1 3.46Å; S2229-I2233 VanDerWaalsContact O-CG1 3.31Å; S2229-I2233 WeakPolarHBondContact O-CG1 3.42Å; S2229-I2233 PolarHBondContact O-N 3.37Å |
| 2230 | I | 60.2 | Low | 52.1 | Low | 89 Ų | 89 | 91.2 Ų | 91.2 | 46% | 0.456 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.7 | -69.6 | 169.4 | 0 | 0 | 0 | 110.8 | I2226 T2227 I2228 I2232 I2233 C2234 | I2226-I2230 HydrophobicContact CG2-CD1 3.63Å; I2226-I2230 HydrophobicContact CG2-CG1 4.36Å; I2226-I2230 WeakPolarHBondContact O-CB 3.42Å; I2226-I2230 VanDerWaalsContact O-CG1 3.3Å; I2226-I2230 WeakPolarHBondContact O-CG1 3.37Å; I2226-I2230 PolarHBondContact O-N 2.97Å; T2227-I2230 PolarHBondContact O-N 3.4Å; I2228-I2230 PolarHBondContact O-N 3.12Å; I2230-I2232 PolarHBondContact O-N 3.43Å; I2230-I2233 PolarHBondContact O-N 2.63Å; I2230-C2234 VanDerWaalsContact O-CB 3.28Å; I2230-C2234 WeakPolarHBondContact O-CB 3.31Å; I2230-C2234 PolarHBondContact O-N 3.47Å; I2230-C2234 PolarHBondContact O-SG 3.42Å; I2230-C2234 VanDerWaalsContact O-SG 3.34Å |
| 2231 | L | 56.4 | Low | 52.4 | Low | 124 Ų | 124 | 92 Ų | 92 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -37.5 | 178 | -75.5 | 167.7 | 0 | 0 | 0 | 112.5 | T2227 I2228 G2235 | T2227-L2231 WeakPolarHBondContact O-CB 3.46Å; T2227-L2231 VanDerWaalsContact O-CG 3.23Å; T2227-L2231 WeakPolarHBondContact O-CG 3.34Å; T2227-L2231 PolarHBondContact O-N 3.04Å; I2228-L2231 PolarHBondContact O-N 2.84Å; L2231-G2235 PolarHBondContact O-N 3.14Å |
| 2232 | I | 68.3 | Low | 52.7 | Low | 101 Ų | 101 | 91.4 Ų | 91.4 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 173.8 | -69.2 | 166.5 | 0 | 0 | 0 | 110.6 | I2228 S2229 I2230 G2235 L2236 | I2228-I2232 HydrophobicContact CG2-CD1 3.8Å; I2228-I2232 HydrophobicContact CG2-CG1 4.5Å; I2228-I2232 VanDerWaalsContact O-CG1 3.32Å; I2228-I2232 WeakPolarHBondContact O-CG1 3.46Å; I2228-I2232 PolarHBondContact O-N 3.21Å; S2229-I2232 PolarHBondContact O-N 2.88Å; I2230-I2232 PolarHBondContact O-N 3.43Å; I2232-G2235 PolarHBondContact O-N 3.28Å; I2232-L2236 HydrophobicContact CG2-CD1 4.1Å; I2232-L2236 WeakPolarHBondContact O-CG 3.36Å; I2232-L2236 PolarHBondContact O-N 3.06Å |
| 2233 | I | 61.3 | Low | 52.4 | Low | 104 Ų | 104 | 96.8 Ų | 96.8 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 176.8 | -69.7 | 162.7 | 0 | 0 | 0 | 110.8 | S2229 I2230 G2235 L2236 T2237 | S2229-I2233 WeakPolarHBondContact O-CD1 3.46Å; S2229-I2233 VanDerWaalsContact O-CG1 3.31Å; S2229-I2233 WeakPolarHBondContact O-CG1 3.42Å; S2229-I2233 PolarHBondContact O-N 3.37Å; I2230-I2233 PolarHBondContact O-N 2.63Å; I2233-G2235 VanDerWaalsContact C-N 3.33Å; I2233-G2235 PolarHBondContact O-N 2.82Å; I2233-L2236 PolarHBondContact O-N 3.36Å; I2233-T2237 WeakPolarHBondContact O-CG2 3.49Å; I2233-T2237 PolarHBondContact O-N 3.29Å; I2233-T2237 PolarHBondContact O-OG1 3.09Å |
| 2234 | C | 54.3 | Low | 52.3 | Low | 58 Ų | 58 | 92.2 Ų | 92.2 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 176.7 | -73.7 | 0 | 0 | 0 | 0 | 112.8 | I2230 T2237 S2238 | I2230-C2234 VanDerWaalsContact O-CB 3.28Å; I2230-C2234 WeakPolarHBondContact O-CB 3.31Å; I2230-C2234 PolarHBondContact O-N 3.47Å; I2230-C2234 PolarHBondContact O-SG 3.42Å; I2230-C2234 VanDerWaalsContact O-SG 3.34Å; C2234-T2237 WeakPolarHBondContact CA-OG1 3.46Å; C2234-T2237 PolarHBondContact O-OG1 2.64Å; C2234-S2238 WeakPolarHBondContact O-CB 3.49Å; C2234-S2238 PolarHBondContact O-N 3.26Å; C2234-S2238 PolarHBondContact O-OG 3.41Å |
| 2235 | G | 58.3 | Low | 51.6 | Low | 43 Ų | 43 | 93.5 Ų | 93.5 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2231 I2232 I2233 S2238 L2239 | L2231-G2235 PolarHBondContact O-N 3.14Å; I2232-G2235 PolarHBondContact O-N 3.28Å; I2233-G2235 VanDerWaalsContact C-N 3.33Å; I2233-G2235 PolarHBondContact O-N 2.82Å; G2235-S2238 PolarHBondContact O-N 2.75Å; G2235-L2239 WeakPolarHBondContact O-CB 3.48Å; G2235-L2239 PolarHBondContact O-N 2.85Å |
| 2236 | L | 57.1 | Low | 50.9 | Low | 112 Ų | 112 | 95.3 Ų | 95.3 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.1 | -41.9 | 178.4 | -70.3 | 168.7 | 0 | 0 | 0 | 112.6 | I2232 I2233 L2239 A2240 | I2232-L2236 HydrophobicContact CG2-CD1 4.1Å; I2232-L2236 WeakPolarHBondContact O-CG 3.36Å; I2232-L2236 PolarHBondContact O-N 3.06Å; I2233-L2236 PolarHBondContact O-N 3.36Å; L2236-L2239 PolarHBondContact O-N 3.03Å; L2236-A2240 PolarHBondContact O-N 2.84Å |
| 2237 | T | 55.9 | Low | 49.7 | Very low | 71 Ų | 71 | 102 Ų | 102 | 44% | 0.436 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 174.5 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | I2233 C2234 A2240 L2241 | I2233-T2237 WeakPolarHBondContact O-CG2 3.49Å; I2233-T2237 PolarHBondContact O-N 3.29Å; I2233-T2237 PolarHBondContact O-OG1 3.09Å; C2234-T2237 WeakPolarHBondContact CA-OG1 3.46Å; C2234-T2237 PolarHBondContact O-OG1 2.64Å; T2237-A2240 PolarHBondContact O-N 3.38Å; T2237-L2241 WeakPolarHBondContact O-CB 3.36Å; T2237-L2241 WeakPolarHBondContact O-CG 3.26Å; T2237-L2241 PolarHBondContact O-N 2.87Å |
| 2238 | S | 53.8 | Low | 48.5 | Very low | 72 Ų | 72 | 109.5 Ų | 109.5 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.8 | -40.6 | 172.5 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | C2234 G2235 A2240 L2241 Y2242 | C2234-S2238 WeakPolarHBondContact O-CB 3.49Å; C2234-S2238 PolarHBondContact O-N 3.26Å; C2234-S2238 PolarHBondContact O-OG 3.41Å; G2235-S2238 PolarHBondContact O-N 2.75Å; S2238-A2240 VanDerWaalsContact C-N 3.35Å; S2238-L2241 PolarHBondContact O-N 3.49Å; S2238-Y2242 VanDerWaalsContact O-CB 3.23Å; S2238-Y2242 WeakPolarHBondContact O-CB 3.4Å; S2238-Y2242 PolarHBondContact O-N 3.11Å |
| 2239 | L | 47.7 | Very low | 46.5 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.2 | -35.2 | 177 | -162.7 | 72.9 | 0 | 0 | 0 | 112.2 | G2235 L2236 K2243 | G2235-L2239 WeakPolarHBondContact O-CB 3.48Å; G2235-L2239 PolarHBondContact O-N 2.85Å; L2236-L2239 PolarHBondContact O-N 3.03Å; L2239-K2243 PolarHBondContact O-N 3.04Å |
| 2240 | A | 48.2 | Very low | 44.7 | Very low | 65 Ų | 65 | 118.8 Ų | 118.8 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.2 | -47.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | L2236 T2237 S2238 Y2242 K2243 G2244 | L2236-A2240 PolarHBondContact O-N 2.84Å; T2237-A2240 PolarHBondContact O-N 3.38Å; S2238-A2240 VanDerWaalsContact C-N 3.35Å; A2240-Y2242 PolarHBondContact O-N 3.29Å; A2240-K2243 PolarHBondContact O-N 2.6Å; A2240-G2244 PolarHBondContact O-N 2.85Å |
| 2241 | L | 42.2 | Very low | 43 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 54% | 0.539 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.9 | -34.1 | 178.6 | -73.8 | 164.9 | 0 | 0 | 0 | 112.5 | T2237 S2238 K2243 G2244 I2245 | T2237-L2241 WeakPolarHBondContact O-CB 3.36Å; T2237-L2241 WeakPolarHBondContact O-CG 3.26Å; T2237-L2241 PolarHBondContact O-N 2.87Å; S2238-L2241 PolarHBondContact O-N 3.49Å; L2241-K2243 PolarHBondContact O-N 2.96Å; L2241-G2244 PolarHBondContact O-N 3.19Å; L2241-I2245 HydrophobicContact CB-CD1 4.22Å; L2241-I2245 HydrophobicContact CD2-CD1 4.15Å; L2241-I2245 WeakPolarHBondContact O-CB 3.27Å; L2241-I2245 WeakPolarHBondContact O-CG1 3.46Å; L2241-I2245 PolarHBondContact O-N 3.26Å |
| 2242 | Y | 43.8 | Very low | 41.4 | Very low | 171 Ų | 171 | 118.5 Ų | 118.5 | 67% | 0.671 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.7 | -31.9 | 174 | -170.3 | -97.8 | 0 | 0 | 0 | 112.5 | S2238 A2240 | S2238-Y2242 VanDerWaalsContact O-CB 3.23Å; S2238-Y2242 WeakPolarHBondContact O-CB 3.4Å; S2238-Y2242 PolarHBondContact O-N 3.11Å; A2240-Y2242 PolarHBondContact O-N 3.29Å |
| 2243 | K | 36.7 | Very low | 39.3 | Very low | 185 Ų | 185 | 120.2 Ų | 120.2 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.5 | -18.3 | 171.1 | -75.1 | -170.3 | 174.4 | -176.5 | 0 | 114.1 | L2239 A2240 L2241 | L2239-K2243 PolarHBondContact O-N 3.04Å; A2240-K2243 PolarHBondContact O-N 2.6Å; L2241-K2243 PolarHBondContact O-N 2.96Å |
| 2244 | G | 36.8 | Very low | 37.3 | Very low | 51 Ų | 51 | 124.5 Ų | 124.5 | 53% | 0.526 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -89.4 | -36.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A2240 L2241 | A2240-G2244 PolarHBondContact O-N 2.85Å; L2241-G2244 PolarHBondContact O-N 3.19Å |
| 2245 | I | 32.1 | Very low | 35.8 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 59% | 0.59 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -91.2 | -3.5 | -163.2 | -66.1 | 174.7 | 0 | 0 | 0 | 114.1 | L2241 W2247 Y2248 | L2241-I2245 HydrophobicContact CB-CD1 4.22Å; L2241-I2245 HydrophobicContact CD2-CD1 4.15Å; L2241-I2245 WeakPolarHBondContact O-CB 3.27Å; L2241-I2245 WeakPolarHBondContact O-CG1 3.46Å; L2241-I2245 PolarHBondContact O-N 3.26Å; I2245-W2247 PolarHBondContact O-N 3.47Å; I2245-Y2248 PolarHBondContact O-N 3.03Å |
| 2246 | Q | 29.4 | Very low | 34.1 | Very low | 135 Ų | 135 | 135 Ų | 135 | 63% | 0.631 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -59 | -5.7 | 168.7 | -91.2 | -77.1 | -13.2 | 0 | 0 | 114.6 | ||
| 2247 | W | 25.3 | Very low | 32.4 | Very low | 224 Ų | 224 | 136.1 Ų | 136.1 | 85% | 0.848 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -99.5 | -6.1 | -178 | -131.8 | 59.3 | 0 | 0 | 0 | 116.5 | I2245 | I2245-W2247 PolarHBondContact O-N 3.47Š|
| 2248 | Y | 24.9 | Very low | 30.9 | Very low | 209 Ų | 209 | 141.8 Ų | 141.8 | 82% | 0.82 | 69% | 0.69 | S | S | * | * | trans | -122.5 | 88.3 | 172.4 | -100.7 | -88.9 | 0 | 0 | 0 | 112.7 | I2245 | I2245-Y2248 PolarHBondContact O-N 3.03Š| ||
| 2249 | R | 21.1 | Very low | 29.5 | Very low | 206 Ų | 206 | 145.6 Ų | 145.6 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | trans | -80.9 | 166.5 | 163 | -75.6 | 178.4 | 164 | -174.9 | -4.9 | 111 | ||||
| 2250 | T | 25.5 | Very low | 28.9 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | trans | 89.8 | 146.7 | 161 | 76.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2251 | A | 25.1 | Very low | 27.6 | Very low | 98 Ų | 98 | 152.5 Ų | 152.5 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | 66.5 | 144.7 | 175 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2252 | S | 22.1 | Very low | 26.6 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | cis | -165 | 157.8 | -30.5 | -147.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2253 | M | 23.1 | Very low | 25.6 | Very low | 138 Ų | 138 | 152 Ų | 152 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | trans | 52.6 | 103 | 151.7 | -66.6 | -76.8 | -110.8 | 0 | 0 | 121.9 | ||||
| 2254 | R | 21.2 | Very low | 24.9 | Very low | 194 Ų | 194 | 152 Ų | 152 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | 53.5 | 141.4 | 111.6 | -68.4 | -172.1 | -173.7 | 168.8 | -0.1 | 123.1 | |||||
| 2255 | Q | 21.7 | Very low | 24.1 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | trans | 74.4 | 150.4 | 138.6 | -77.4 | 169.1 | -52 | 0 | 0 | 119 | ||||
| 2256 | F | 21.6 | Very low | 23.5 | Very low | 164 Ų | 164 | 157 Ų | 157 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | cis | -172.7 | 166.1 | -26.4 | -139.8 | -114.8 | 0 | 0 | 0 | 107.9 | ||||
| 2257 | H | 22.7 | Very low | 23.1 | Very low | 134 Ų | 134 | 160.7 Ų | 160.7 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | trans | 66.2 | 158.9 | 161.9 | -79 | -14.8 | 0 | 0 | 0 | 118.8 | ||||
| 2258 | R | 23.7 | Very low | 22.8 | Very low | 190 Ų | 190 | 154.1 Ų | 154.1 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | cis | -167.8 | 156.8 | -27.2 | -125.2 | 179 | 178.1 | 169 | -2.4 | 111.7 | ||||
| 2259 | L | 25.5 | Very low | 22.6 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 72.4 | 158.9 | 150.2 | -69.3 | 167.4 | 0 | 0 | 0 | 120.6 | ||||
| 2260 | P | 33.7 | Very low | 22.6 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -125.9 | 179.2 | -164.1 | 44.6 | -31.5 | 0 | 0 | 0 | 115.1 | ||||
| 2261 | R | 21.1 | Very low | 22.4 | Very low | 220 Ų | 220 | 152.7 Ų | 152.7 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | trans | -175.2 | 146.7 | 136.4 | -107.8 | 164.3 | 173.9 | -175.8 | -0.2 | 116.1 | ||||
| 2262 | Q | 22 | Very low | 22.3 | Very low | 149 Ų | 149 | 156 Ų | 156 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | trans | 67.8 | 102.4 | 138.8 | -77.2 | 165.1 | -55.2 | 0 | 0 | 124 | ||||
| 2263 | V | 21.4 | Very low | 22.3 | Very low | 114 Ų | 114 | 159.1 Ų | 159.1 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | 81.5 | 133.8 | 100.4 | 162.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 2264 | F | 22.3 | Very low | 22.2 | Very low | 186 Ų | 186 | 157.1 Ų | 157.1 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | trans | 89.2 | 127.2 | 150.6 | -82.8 | -29.2 | 0 | 0 | 0 | 124.9 | ||||
| 2265 | I | 20.9 | Very low | 22.2 | Very low | 128 Ų | 128 | 154.2 Ų | 154.2 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | 103.3 | 117 | 124.6 | -78.8 | 169.6 | 0 | 0 | 0 | 123.2 | |||||
| 2266 | H | 19.7 | Very low | 22.3 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | trans | 76.6 | 112.1 | 141.6 | -78.2 | 2 | 0 | 0 | 0 | 126.8 | ||||
| 2267 | R | 19.9 | Very low | 22.5 | Very low | 213 Ų | 213 | 152.4 Ų | 152.4 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | 68.4 | 121 | 113.1 | -72.5 | 179.2 | 163.7 | 172.1 | -7.8 | 123.9 | |||||
| 2268 | A | 20.4 | Very low | 22.5 | Very low | 86 Ų | 86 | 153.6 Ų | 153.6 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 80.4 | 137.9 | 130.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 2269 | F | 20.2 | Very low | 22.6 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | 165.1 | 126 | 120.8 | -105.4 | -115.5 | 0 | 0 | 0 | 113.7 | |||||
| 2270 | W | 21.2 | Very low | 22.6 | Very low | 204 Ų | 204 | 152.5 Ų | 152.5 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | 65.1 | 162.5 | 139.8 | -72.4 | 39.2 | 0 | 0 | 0 | 120.5 | ||||
| 2271 | K | 20.7 | Very low | 22.2 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | cis | -169.9 | 128.9 | -24.8 | 173.5 | 177.5 | -179.1 | -176.5 | 0 | 112.1 | ||||
| 2272 | Q | 22.8 | Very low | 22.2 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 7.1 | 129.3 | 149.8 | -175 | -175.5 | 25.5 | 0 | 0 | 122.1 | ||||
| 2273 | Q | 22.8 | Very low | 22.3 | Very low | 174 Ų | 174 | 152.6 Ų | 152.6 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -173.5 | 133.4 | 142.6 | -110.3 | -171.7 | -85.3 | 0 | 0 | 115.1 | ||||
| 2274 | T | 21.7 | Very low | 22.5 | Very low | 96 Ų | 96 | 155 Ų | 155 | 59% | 0.589 | 76% | 0.763 | S | S | * | * | trans | 26.1 | 148.5 | 136.1 | 61.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2275 | D | 20.8 | Very low | 22.7 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | cis | -172.1 | -176.2 | -12.3 | -88.8 | -30.3 | 0 | 0 | 0 | 108.5 | ||||
| 2276 | D | 23.6 | Very low | 22.8 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 80.2 | 139.4 | 151.4 | -74.6 | -31.7 | 0 | 0 | 0 | 125.3 | ||||
| 2277 | I | 25.4 | Very low | 23 | Very low | 143 Ų | 143 | 151.7 Ų | 151.7 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 66.3 | 110.8 | 148.8 | -65.2 | 161.5 | 0 | 0 | 0 | 118 | ||||
| 2278 | L | 22.3 | Very low | 23.4 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 65.1 | 120.6 | 64.1 | -77 | 168.8 | 0 | 0 | 0 | 116.8 | |||||
| 2279 | V | 27 | Very low | 23.6 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | 174.5 | 149.3 | 136.2 | 146.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2280 | E | 23.8 | Very low | 23.7 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -123.4 | 136.8 | -176 | 163.5 | -174 | -130.8 | 0 | 0 | 108.2 | ||||
| 2281 | E | 26.8 | Very low | 23.9 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -155.3 | 106.2 | 167.6 | -127 | 163.9 | -144.7 | 0 | 0 | 113.8 | ||||
| 2282 | T | 21.4 | Very low | 24.1 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | trans | 15.7 | 137.5 | 151.7 | 54.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2283 | E | 23.6 | Very low | 24.1 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -55.9 | 146.9 | 151.3 | -53.5 | 175.6 | 123.4 | 0 | 0 | 111.6 | ||||
| 2284 | D | 26 | Very low | 24.2 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -139.6 | 138.8 | 161.3 | -155.5 | -5.5 | 0 | 0 | 0 | 110.9 | ||||
| 2285 | H | 25.1 | Very low | 24.4 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 73% | 0.731 | 84% | 0.836 | S | S | * | * | trans | -95.6 | 133.5 | -164.4 | -91.6 | -66.8 | 0 | 0 | 0 | 113.1 | ||||
| 2286 | S | 22.8 | Very low | 24.7 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 78% | 0.776 | 85% | 0.845 | S | S | * | * | trans | 46.8 | 99 | 148.7 | 61.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2287 | S | 24.5 | Very low | 24.8 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 81% | 0.811 | 85% | 0.853 | S | S | * | * | trans | -145.7 | 140.9 | 144.9 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2288 | S | 28.9 | Very low | 24.7 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 100% | 1.371 | 86% | 0.864 | S | S | * | * | trans | 52.7 | 0 | -180 | 71.1 | 0 | 0 | 0 | 0 | 118.5 |
Retrieved 2,288 of 2,288 residues in 1697.1 ms
(Link to these results)