| 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 | 35.3 | Very low | 29 | Very low | 250 Ų | 250 | 167.5 Ų | 167.5 | 100% | 1.232 | 87% | 0.872 | S | S | * | * | 0 | 82.9 | 0 | -69.7 | -169.4 | -160.3 | 0 | 0 | 108.2 | |||||
| 2 | M | 28.3 | Very low | 29 | Very low | 165 Ų | 165 | 167 Ų | 167 | 81% | 0.813 | 87% | 0.868 | S | S | * | * | trans | -128.5 | 137.8 | -151 | -150.6 | 160.5 | 64.4 | 0 | 0 | 107.8 | ||||
| 3 | K | 28 | Very low | 28.9 | Very low | 184 Ų | 184 | 166.5 Ų | 166.5 | 80% | 0.8 | 87% | 0.866 | S | S | * | * | trans | 81.6 | 74.1 | 165 | -52.7 | -177.2 | 178.1 | -179.8 | 0 | 118.1 | ||||
| 4 | V | 32.1 | Very low | 28.8 | Very low | 135 Ų | 135 | 163.5 Ų | 163.5 | 82% | 0.818 | 86% | 0.864 | S | S | * | * | trans | -139.5 | 148.9 | 132.8 | -175.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 5 | W | 27.6 | Very low | 28.6 | Very low | 247 Ų | 247 | 169.3 Ų | 169.3 | 94% | 0.936 | 87% | 0.87 | S | S | * | * | trans | 112.3 | 56.6 | -173.8 | -69 | 57.1 | 0 | 0 | 0 | 113.1 | ||||
| 6 | M | 28 | Very low | 28.7 | Very low | 193 Ų | 193 | 168.6 Ų | 168.6 | 95% | 0.951 | 86% | 0.861 | S | S | * | * | trans | -161.7 | 67 | 154.2 | -143.4 | 142.2 | 121.1 | 0 | 0 | 111.2 | ||||
| 7 | A | 26.9 | Very low | 28.6 | Very low | 97 Ų | 97 | 165.3 Ų | 165.3 | 80% | 0.802 | 86% | 0.857 | S | S | * | * | trans | -163.6 | 39.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 8 | I | 29 | Very low | 28.8 | Very low | 164 Ų | 164 | 161.4 Ų | 161.4 | 84% | 0.841 | 85% | 0.847 | S | S | * | * | trans | -147.3 | 89.9 | 167.7 | -53.7 | 178.2 | 0 | 0 | 0 | 108.5 | ||||
| 9 | L | 28.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 159.8 Ų | 159.8 | 89% | 0.885 | 84% | 0.844 | S | S | * | * | trans | 177.9 | 53.4 | 155.8 | -99.9 | 154.7 | 0 | 0 | 0 | 110.6 | ||||
| 10 | I | 29 | Very low | 30 | Very low | 182 Ų | 182 | 163.1 Ų | 163.1 | 93% | 0.933 | 84% | 0.844 | S | S | * | * | trans | -126.8 | 86.9 | 161.7 | -57.3 | 177.1 | 0 | 0 | 0 | 106.3 | ||||
| 11 | G | 26.3 | Very low | 31.2 | Very low | 56 Ų | 56 | 158.1 Ų | 158.1 | 58% | 0.577 | 83% | 0.828 | S | S | * | * | trans | -175.1 | 126 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 12 | I | 29.2 | Very low | 33.1 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 87.8 | 68.6 | -179.4 | -42.4 | 157.2 | 0 | 0 | 0 | 113.8 | ||
| 13 | L | 27.7 | Very low | 36 | Very low | 161 Ų | 161 | 147 Ų | 147 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -160.3 | 48.7 | 142.2 | -125.4 | 117.5 | 0 | 0 | 0 | 112.1 | ||||
| 14 | C | 26.6 | Very low | 38.9 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -110.9 | 63.3 | 166.8 | -77.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 15 | W | 27 | Very low | 41.6 | Very low | 251 Ų | 251 | 137.8 Ų | 137.8 | 95% | 0.951 | 76% | 0.756 | S | S | * | * | trans | -113.7 | 58.1 | 161.9 | -78.5 | 38.8 | 0 | 0 | 0 | 107.6 | S17 | W15-S17 PolarHBondContact O-N 3.38Š| ||
| 16 | Q | 29.1 | Very low | 44.6 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -93.2 | 92.1 | 170.6 | -63.5 | -163.3 | 9.9 | 0 | 0 | 107.8 | S18 | Q16-S18 VanDerWaalsContact C-N 3.35Å; Q16-S18 PolarHBondContact O-N 2.79Å | ||
| 17 | S | 28.3 | Very low | 47.7 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | trans | 25.6 | 61.2 | 147.3 | 58.8 | 0 | 0 | 0 | 0 | 117.1 | W15 V19 | W15-S17 PolarHBondContact O-N 3.38Å; S17-V19 PolarHBondContact O-N 3.5Å | ||
| 18 | S | 32.1 | Very low | 50.7 | Low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | trans | -66.8 | 105.8 | 144.5 | -52.9 | 0 | 0 | 0 | 0 | 104.8 | Q16 W20 | Q16-S18 VanDerWaalsContact C-N 3.35Å; Q16-S18 PolarHBondContact O-N 2.79Å; S18-W20 PolarHBondContact O-N 3.08Å | ||
| 19 | V | 38.8 | Very low | 53.7 | Low | 132 Ų | 132 | 117.9 Ų | 117.9 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | trans | -55.2 | 102.5 | 160.7 | 176.9 | 0 | 0 | 0 | 0 | 104.3 | S17 A21 | S17-V19 PolarHBondContact O-N 3.5Å; V19-A21 VanDerWaalsContact C-N 3.29Å; V19-A21 PolarHBondContact O-N 3.3Å | ||
| 20 | W | 41.4 | Very low | 56.8 | Low | 224 Ų | 224 | 111.8 Ų | 111.8 | 85% | 0.848 | 64% | 0.644 | S | S | * | * | trans | -58.5 | 103.6 | 175 | -77.1 | 70.4 | 0 | 0 | 0 | 104.9 | S18 V22 | S18-W20 PolarHBondContact O-N 3.08Å; W20-V22 WeakPolarHBondContact O-CG2 3.45Å; W20-V22 PolarHBondContact O-N 3.14Å | ||
| 21 | A | 55.3 | Low | 59.9 | Low | 60 Ų | 60 | 103.2 Ų | 103.2 | 50% | 0.496 | 60% | 0.601 | S | S | . | * | trans | -69.4 | 85.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | V19 C23 Q71 | V19-A21 VanDerWaalsContact C-N 3.29Å; V19-A21 PolarHBondContact O-N 3.3Å; A21-C23 PolarHBondContact O-N 3.3Å; A21-Q71 HydrophobicContact CB-CG 4.15Å | ||
| 22 | V | 76.4 | Confident | 63.1 | Low | 115 Ų | 115 | 105.6 Ų | 105.6 | 70% | 0.697 | 60% | 0.596 | S | S | * | * | trans | -57.9 | 114.5 | -173.6 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | W20 | W20-V22 WeakPolarHBondContact O-CG2 3.45Å; W20-V22 PolarHBondContact O-N 3.14Å | ||
| 23 | C | 88 | Confident | 66.2 | Low | 65 Ų | 65 | 102.5 Ų | 102.5 | 44% | 0.439 | 58% | 0.579 | S | S | . | * | trans | -62.1 | 134.9 | 173.9 | -69.1 | 0 | 0 | 0 | 0 | 109 | A21 C75 | A21-C23 PolarHBondContact O-N 3.3Å; C23-C75 WeakPolarHBondContact CA-SG 3.44Å; C23-C75 HydrophobicContact CB-CB 3.58Å; C23-C75 WeakPolarHBondContact CB-SG 3.32Å; C23-C75 VanDerWaalsContact SG-CA 3.52Å; C23-C75 WeakPolarHBondContact SG-CB 3.46Å; C23-C75 CovalentContact SG-SG 2.03Å; C23-C75 PolarHBondContact SG-SG 3.1Å | ||
| 24 | P | 88.8 | Confident | 69.4 | Low | 15 Ų | 15 | 94.9 Ų | 94.9 | 10% | 0.097 | 54% | 0.539 | C | S | . | . | trans | -67.1 | 143.9 | 179.6 | 26.8 | -31.1 | 0 | 0 | 0 | 110.3 | W26 F76 | P24-W26 HydrophobicContact CB-CD2 3.63Å; P24-W26 VanDerWaalsContact CB-CE2 3.44Å; P24-W26 HydrophobicContact CB-CE3 4.2Å; P24-W26 HydrophobicContact CB-CG 3.94Å; P24-W26 HydrophobicContact CB-CH2 4.47Å; P24-W26 HydrophobicContact CB-CZ2 3.9Å; P24-W26 HydrophobicContact CG-CD2 3.59Å; P24-W26 HydrophobicContact CG-CE3 3.61Å; P24-W26 HydrophobicContact CG-CG 4.24Å; P24-W26 HydrophobicContact CG-CH2 4.01Å; P24-W26 HydrophobicContact CG-CZ2 3.94Å; P24-W26 HydrophobicContact CG-CZ3 3.83Å; P24-W26 PolarHBondContact O-N 3.22Å; P24-F76 HydrophobicContact CG-CE2 3.75Å; P24-F76 HydrophobicContact CG-CZ 3.91Å; P24-F76 VanDerWaalsContact O-CZ 3.3Å; P24-F76 WeakPolarHBondContact O-CZ 3.32Å | ||
| 25 | A | 89.1 | Confident | 72.6 | Confident | 112 Ų | 112 | 89.1 Ų | 89.1 | 93% | 0.926 | 50% | 0.5 | S | S | * | . | trans | -81.9 | 63.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 26 | W | 91.6 | Very high | 75.8 | Confident | 32 Ų | 32 | 79.5 Ų | 79.5 | 12% | 0.121 | 47% | 0.47 | C | S | . | . | trans | -96.7 | 153.9 | -179.1 | -62.5 | -22.3 | 0 | 0 | 0 | 112.2 | P24 R30 A31 E34 W72 F76 | P24-W26 HydrophobicContact CB-CD2 3.63Å; P24-W26 VanDerWaalsContact CB-CE2 3.44Å; P24-W26 HydrophobicContact CB-CE3 4.2Å; P24-W26 HydrophobicContact CB-CG 3.94Å; P24-W26 HydrophobicContact CB-CH2 4.47Å; P24-W26 HydrophobicContact CB-CZ2 3.9Å; P24-W26 HydrophobicContact CG-CD2 3.59Å; P24-W26 HydrophobicContact CG-CE3 3.61Å; P24-W26 HydrophobicContact CG-CG 4.24Å; P24-W26 HydrophobicContact CG-CH2 4.01Å; P24-W26 HydrophobicContact CG-CZ2 3.94Å; P24-W26 HydrophobicContact CG-CZ3 3.83Å; P24-W26 PolarHBondContact O-N 3.22Å; W26-R30 HydrophobicContact CB-CB 4.3Å; W26-R30 HydrophobicContact CB-CG 4.21Å; W26-R30 HydrophobicContact CD2-CG 4.32Å; W26-R30 HydrophobicContact CG-CG 4.12Å; W26-R30 VanDerWaalsContact NE1-CZ 3.31Å; W26-A31 HydrophobicContact CE3-CB 4.29Å; W26-E34 HydrophobicContact CE3-CB 4.41Å; W26-E34 HydrophobicContact CE3-CG 4.29Å; W26-E34 HydrophobicContact CH2-CB 4.02Å; W26-E34 HydrophobicContact CH2-CG 3.83Å; W26-E34 HydrophobicContact CZ2-CG 4.41Å; W26-E34 HydrophobicContact CZ3-CB 3.68Å; W26-E34 HydrophobicContact CZ3-CG 3.78Å; W26-W72 AromaticContact CH2-CD2 3.93Å; W26-W72 HydrophobicContact CH2-CD2 3.93Å; W26-W72 AromaticContact CH2-CE2 3.46Å; W26-W72 VanDerWaalsContact CH2-CE2 3.46Å; W26-W72 HydrophobicContact CH2-CE3 4.35Å; W26-W72 HydrophobicContact CH2-CG 4.48Å; W26-W72 HydrophobicContact CH2-CH2 4.03Å; W26-W72 AromaticContact CH2-CZ2 3.56Å; W26-W72 HydrophobicContact CH2-CZ2 3.56Å; W26-W72 HydrophobicContact CH2-CZ3 4.38Å; W26-W72 AromaticContact CH2-NE1 3.73Å; W26-W72 HydrophobicContact CZ2-CZ2 4.4Å; W26-W72 AromaticContact CZ3-CD2 3.94Å; W26-W72 HydrophobicContact CZ3-CD2 3.94Å; W26-W72 AromaticContact CZ3-CE2 3.94Å; W26-W72 HydrophobicContact CZ3-CE3 4.35Å; W26-W72 HydrophobicContact CZ3-CG 4.17Å; W26-W72 HydrophobicContact CZ3-CZ2 4.4Å; W26-F76 HydrophobicContact CB-CE1 4.27Å; W26-F76 HydrophobicContact CB-CZ 3.83Å; W26-F76 HydrophobicContact CD2-CE2 4.5Å; W26-F76 HydrophobicContact CD2-CZ 4.32Å; W26-F76 AromaticContact CE3-CE2 3.71Å; W26-F76 HydrophobicContact CE3-CE2 3.71Å; W26-F76 AromaticContact CE3-CZ 3.92Å; W26-F76 HydrophobicContact CE3-CZ 3.92Å; W26-F76 HydrophobicContact CG-CZ 4.32Å; W26-F76 HydrophobicContact CZ3-CE2 4.32Å | ||
| 27 | S | 92.2 | Very high | 79 | Confident | 65 Ų | 65 | 76.4 Ų | 76.4 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | trans | -66 | 153 | 164.8 | 69.8 | 0 | 0 | 0 | 0 | 110.2 | A29 R30 A31 | S27-A29 PolarHBondContact O-N 3.34Å; S27-R30 PolarHBondContact O-N 3.15Å; S27-R30 VanDerWaalsContact O-N 3.16Å; S27-R30 WeakPolarHBondContact OG-CB 3.33Å; S27-R30 PolarHBondContact OG-N 3.48Å; S27-A31 PolarHBondContact O-N 3.34Å | ||
| 28 | P | 90.8 | Very high | 82.1 | Confident | 112 Ų | 112 | 71 Ų | 71 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -55.3 | -37 | 176.6 | -27.7 | 35.4 | 0 | 0 | 0 | 113.4 | A31 Q32 | P28-A31 PolarHBondContact O-N 3.22Å; P28-Q32 WeakPolarHBondContact O-CB 3.44Å; P28-Q32 PolarHBondContact O-N 3.01Å |
| 29 | A | 92.6 | Very high | 85.1 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 60% | 0.603 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.8 | -47.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S27 A31 Q32 E33 | S27-A29 PolarHBondContact O-N 3.34Å; A29-A31 PolarHBondContact O-N 2.95Å; A29-Q32 PolarHBondContact O-N 3.39Å; A29-E33 PolarHBondContact O-N 3.49Å; A29-E33 VanDerWaalsContact O-N 3.08Å |
| 30 | R | 93.4 | Very high | 87.7 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 16% | 0.158 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.8 | 175.7 | 175.3 | 175.7 | 174.6 | -1.2 | 111.5 | W26 S27 Q32 E33 E34 E387 | W26-R30 HydrophobicContact CB-CB 4.3Å; W26-R30 HydrophobicContact CB-CG 4.21Å; W26-R30 HydrophobicContact CD2-CG 4.32Å; W26-R30 HydrophobicContact CG-CG 4.12Å; W26-R30 VanDerWaalsContact NE1-CZ 3.31Å; S27-R30 PolarHBondContact O-N 3.15Å; S27-R30 VanDerWaalsContact O-N 3.16Å; S27-R30 WeakPolarHBondContact OG-CB 3.33Å; S27-R30 PolarHBondContact OG-N 3.48Å; R30-Q32 VanDerWaalsContact C-N 3.34Å; R30-Q32 PolarHBondContact O-N 3.48Å; R30-E33 PolarHBondContact O-N 2.94Å; R30-E34 HydrophobicContact CG-CG 4.2Å; R30-E34 WeakPolarHBondContact O-CG 3.39Å; R30-E34 PolarHBondContact O-N 3.03Å; R30-E387 WeakPolarHBondContact CD-OE2 3.24Å; R30-E387 IonicContact CZ-OE2 2.8Å; R30-E387 IonicContact NE-OE2 3.58Å; R30-E387 IonicContact NH1-OE2 3.34Å; R30-E387 PolarHBondContact NH1-OE2 2.93Å |
| 31 | A | 93.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.017 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | W26 S27 P28 A29 E33 E34 I35 F76 | W26-A31 HydrophobicContact CE3-CB 4.29Å; S27-A31 PolarHBondContact O-N 3.34Å; P28-A31 PolarHBondContact O-N 3.22Å; A29-A31 PolarHBondContact O-N 2.95Å; A31-E33 VanDerWaalsContact C-N 3.33Å; A31-E33 PolarHBondContact O-N 3.23Å; A31-E34 PolarHBondContact O-N 3.41Å; A31-I35 WeakPolarHBondContact O-CB 3.46Å; A31-I35 WeakPolarHBondContact O-CD1 3.4Å; A31-I35 WeakPolarHBondContact O-CG1 3.16Å; A31-I35 PolarHBondContact O-N 2.88Å; A31-F76 HydrophobicContact CB-CB 4.18Å; A31-F76 HydrophobicContact CB-CD1 3.54Å; A31-F76 HydrophobicContact CB-CD2 3.61Å; A31-F76 HydrophobicContact CB-CE1 3.7Å; A31-F76 HydrophobicContact CB-CE2 3.78Å; A31-F76 HydrophobicContact CB-CG 3.5Å; A31-F76 VanDerWaalsContact CB-CG 3.5Å; A31-F76 HydrophobicContact CB-CZ 3.82Å |
| 32 | Q | 93.3 | Very high | 91.9 | Very high | 105 Ų | 105 | 59.8 Ų | 59.8 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 176.8 | -175.2 | 61 | 41.3 | 0 | 0 | 111.8 | P28 A29 R30 S36 | P28-Q32 WeakPolarHBondContact O-CB 3.44Å; P28-Q32 PolarHBondContact O-N 3.01Å; A29-Q32 PolarHBondContact O-N 3.39Å; R30-Q32 VanDerWaalsContact C-N 3.34Å; R30-Q32 PolarHBondContact O-N 3.48Å; Q32-S36 PolarHBondContact NE2-OG 3.05Å; Q32-S36 VanDerWaalsContact NE2-OG 3.08Å; Q32-S36 VanDerWaalsContact O-CB 3.24Å; Q32-S36 WeakPolarHBondContact O-CB 3.31Å; Q32-S36 PolarHBondContact O-N 3.42Å; Q32-S36 PolarHBondContact O-OG 3.49Å |
| 33 | E | 94.7 | Very high | 92.6 | Very high | 97 Ų | 97 | 60.1 Ų | 60.1 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.5 | -50.2 | 178.8 | -171.3 | -176.5 | 170.2 | 0 | 0 | 112 | A29 R30 A31 I35 S36 R37 A386 | A29-E33 PolarHBondContact O-N 3.49Å; A29-E33 VanDerWaalsContact O-N 3.08Å; R30-E33 PolarHBondContact O-N 2.94Å; A31-E33 VanDerWaalsContact C-N 3.33Å; A31-E33 PolarHBondContact O-N 3.23Å; E33-I35 PolarHBondContact O-N 3.31Å; E33-S36 PolarHBondContact O-N 3.14Å; E33-R37 HydrophobicContact CG-CG 4.41Å; E33-R37 WeakPolarHBondContact O-CB 3.11Å; E33-R37 WeakPolarHBondContact O-CG 3.12Å; E33-R37 PolarHBondContact O-N 2.93Å; E33-A386 HydrophobicContact CG-CB 4.11Å; E33-A386 WeakPolarHBondContact OE1-CB 3.3Å |
| 34 | E | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 179.6 | -71 | -79.7 | -172 | 0 | 0 | 111.5 | W26 R30 A31 L38 W72 W383 G385 A386 | W26-E34 HydrophobicContact CE3-CB 4.41Å; W26-E34 HydrophobicContact CE3-CG 4.29Å; W26-E34 HydrophobicContact CH2-CB 4.02Å; W26-E34 HydrophobicContact CH2-CG 3.83Å; W26-E34 HydrophobicContact CZ2-CG 4.41Å; W26-E34 HydrophobicContact CZ3-CB 3.68Å; W26-E34 HydrophobicContact CZ3-CG 3.78Å; R30-E34 HydrophobicContact CG-CG 4.2Å; R30-E34 WeakPolarHBondContact O-CG 3.39Å; R30-E34 PolarHBondContact O-N 3.03Å; A31-E34 PolarHBondContact O-N 3.41Å; E34-L38 WeakPolarHBondContact O-CB 3.42Å; E34-L38 PolarHBondContact O-N 3.37Å; E34-W72 HydrophobicContact CB-CE3 4.38Å; E34-W72 HydrophobicContact CB-CZ3 4.18Å; E34-W383 PolarHBondContact OE2-NE1 2.7Å; E34-G385 WeakPolarHBondContact OE1-CA 3.44Å; E34-A386 HydrophobicContact CG-CB 4.28Å; E34-A386 PolarHBondContact OE1-N 3.42Å |
| 35 | I | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 178 | -70.4 | 168.7 | 0 | 0 | 0 | 110.2 | A31 E33 L38 Q39 L69 W72 Q73 F76 | A31-I35 WeakPolarHBondContact O-CB 3.46Å; A31-I35 WeakPolarHBondContact O-CD1 3.4Å; A31-I35 WeakPolarHBondContact O-CG1 3.16Å; A31-I35 PolarHBondContact O-N 2.88Å; E33-I35 PolarHBondContact O-N 3.31Å; I35-L38 PolarHBondContact O-N 3.31Å; I35-Q39 WeakPolarHBondContact O-CB 3.27Å; I35-Q39 PolarHBondContact O-N 3Å; I35-L69 HydrophobicContact CB-CD1 4.42Å; I35-L69 HydrophobicContact CG2-CD1 3.94Å; I35-W72 HydrophobicContact CD1-CB 4.21Å; I35-W72 HydrophobicContact CG1-CB 3.83Å; I35-Q73 HydrophobicContact CG2-CG 3.94Å; I35-F76 HydrophobicContact CD1-CB 4.31Å; I35-F76 HydrophobicContact CD1-CD2 4.29Å |
| 36 | S | 93.9 | Very high | 92.6 | Very high | 48 Ų | 48 | 57 Ų | 57 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | -177.1 | -57 | 0 | 0 | 0 | 0 | 111.7 | Q32 E33 Q39 Q40 | Q32-S36 PolarHBondContact NE2-OG 3.05Å; Q32-S36 VanDerWaalsContact NE2-OG 3.08Å; Q32-S36 VanDerWaalsContact O-CB 3.24Å; Q32-S36 WeakPolarHBondContact O-CB 3.31Å; Q32-S36 PolarHBondContact O-N 3.42Å; Q32-S36 PolarHBondContact O-OG 3.49Å; E33-S36 PolarHBondContact O-N 3.14Å; S36-Q39 PolarHBondContact O-N 3.09Å; S36-Q40 WeakPolarHBondContact O-CB 3.11Å; S36-Q40 PolarHBondContact O-N 3.39Å |
| 37 | R | 95.6 | Very high | 92.2 | Very high | 93 Ų | 93 | 56.7 Ų | 56.7 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 178.9 | -72.9 | -179.2 | 58.8 | -153.4 | -14.8 | 111.5 | E33 Q39 Q40 Q41 W383 R384 A386 | E33-R37 HydrophobicContact CG-CG 4.41Å; E33-R37 WeakPolarHBondContact O-CB 3.11Å; E33-R37 WeakPolarHBondContact O-CG 3.12Å; E33-R37 PolarHBondContact O-N 2.93Å; R37-Q39 VanDerWaalsContact C-N 3.34Å; R37-Q40 PolarHBondContact O-N 2.79Å; R37-Q41 PolarHBondContact O-N 2.78Å; R37-W383 VanDerWaalsContact C-CH2 3.47Å; R37-W383 HydrophobicContact CB-CH2 3.7Å; R37-W383 HydrophobicContact CB-CZ2 3.89Å; R37-R384 PolarHBondContact NH2-O 3.1Å; R37-A386 VanDerWaalsContact NH1-CA 3.26Å |
| 38 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 180 | -178.4 | 58 | 0 | 0 | 0 | 111.4 | E34 I35 Q40 Q41 I42 L65 L69 W72 W383 | E34-L38 WeakPolarHBondContact O-CB 3.42Å; E34-L38 PolarHBondContact O-N 3.37Å; I35-L38 PolarHBondContact O-N 3.31Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-Q40 PolarHBondContact O-N 2.86Å; L38-Q41 PolarHBondContact O-N 2.7Å; L38-I42 HydrophobicContact CD1-CD1 4.2Å; L38-I42 HydrophobicContact CD1-CG1 4.36Å; L38-I42 HydrophobicContact CG-CD1 4.05Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.96Å; L38-L65 HydrophobicContact CD1-CB 4.35Å; L38-L69 HydrophobicContact CB-CD1 4.36Å; L38-L69 HydrophobicContact CD2-CB 3.79Å; L38-L69 HydrophobicContact CD2-CD1 4.4Å; L38-L69 HydrophobicContact CG-CB 4.2Å; L38-L69 HydrophobicContact CG-CD1 4.42Å; L38-W72 HydrophobicContact CB-CZ3 4.11Å; L38-W72 HydrophobicContact CD2-CE3 3.78Å; L38-W72 HydrophobicContact CD2-CH2 4.05Å; L38-W72 HydrophobicContact CD2-CZ3 3.36Å; L38-W72 HydrophobicContact CG-CZ3 4.36Å; L38-W383 VanDerWaalsContact CA-CH2 3.47Å; L38-W383 HydrophobicContact CB-CH2 3.91Å; L38-W383 HydrophobicContact CB-CZ2 3.87Å; L38-W383 HydrophobicContact CB-CZ3 4.4Å; L38-W383 HydrophobicContact CD1-CD2 4.13Å; L38-W383 HydrophobicContact CD1-CE3 3.82Å; L38-W383 HydrophobicContact CD1-CH2 4.28Å; L38-W383 HydrophobicContact CD1-CZ3 3.91Å; L38-W383 VanDerWaalsContact N-CH2 3.35Å |
| 39 | Q | 93.8 | Very high | 91.5 | Very high | 60 Ų | 60 | 50.8 Ų | 50.8 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 173.8 | -175.8 | 173 | -7.6 | 0 | 0 | 112 | I35 S36 R37 K43 L69 | I35-Q39 WeakPolarHBondContact O-CB 3.27Å; I35-Q39 PolarHBondContact O-N 3Å; S36-Q39 PolarHBondContact O-N 3.09Å; R37-Q39 VanDerWaalsContact C-N 3.34Å; Q39-K43 WeakPolarHBondContact O-CB 3.27Å; Q39-K43 PolarHBondContact O-N 3.07Å; Q39-L69 HydrophobicContact CB-CD1 4.34Å; Q39-L69 HydrophobicContact CB-CD2 3.93Å; Q39-L69 HydrophobicContact CG-CD2 4.31Å |
| 40 | Q | 93.9 | Very high | 90.5 | Very high | 143 Ų | 143 | 50.7 Ų | 50.7 | 67% | 0.668 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.8 | -41.5 | 175.3 | -174.4 | 176.3 | -0.9 | 0 | 0 | 111.9 | S36 R37 L38 K43 Q44 | S36-Q40 WeakPolarHBondContact O-CB 3.11Å; S36-Q40 PolarHBondContact O-N 3.39Å; R37-Q40 PolarHBondContact O-N 2.79Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-Q40 PolarHBondContact O-N 2.86Å; Q40-K43 PolarHBondContact O-N 2.61Å; Q40-Q44 PolarHBondContact O-N 2.9Å |
| 41 | Q | 94 | Very high | 89.6 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63 | -46.6 | 177.6 | -173.5 | 65.6 | 59.8 | 0 | 0 | 112.1 | R37 L38 K43 Q44 W45 W383 | R37-Q41 PolarHBondContact O-N 2.78Å; L38-Q41 PolarHBondContact O-N 2.7Å; Q41-K43 VanDerWaalsContact C-N 3.31Å; Q41-K43 PolarHBondContact O-N 2.71Å; Q41-Q44 WeakPolarHBondContact O-CB 3.24Å; Q41-Q44 PolarHBondContact O-N 3.01Å; Q41-W45 HydrophobicContact CG-CD2 4.16Å; Q41-W45 HydrophobicContact CG-CE3 4.31Å; Q41-W45 HydrophobicContact CG-CH2 3.68Å; Q41-W45 HydrophobicContact CG-CZ2 3.47Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.47Å; Q41-W45 HydrophobicContact CG-CZ3 4.1Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.31Å; Q41-W45 PolarHBondContact O-N 2.81Å; Q41-W383 HydrophobicContact CB-CZ3 3.91Å; Q41-W383 HydrophobicContact CG-CZ3 4.15Å |
| 42 | I | 92.1 | Very high | 88.8 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 177 | -72.9 | 166.7 | 0 | 0 | 0 | 110.4 | L38 Q44 W45 D46 Y62 L69 | L38-I42 HydrophobicContact CD1-CD1 4.2Å; L38-I42 HydrophobicContact CD1-CG1 4.36Å; L38-I42 HydrophobicContact CG-CD1 4.05Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.96Å; I42-Q44 VanDerWaalsContact C-N 3.3Å; I42-Q44 PolarHBondContact O-N 2.91Å; I42-W45 HydrophobicContact CG1-CE3 4.24Å; I42-W45 HydrophobicContact CG1-CZ3 4.3Å; I42-W45 PolarHBondContact O-N 3.2Å; I42-D46 PolarHBondContact O-N 2.64Å; I42-Y62 HydrophobicContact CG2-CE2 3.98Å; I42-L69 HydrophobicContact CD1-CB 4.04Å; I42-L69 HydrophobicContact CD1-CD2 3.73Å |
| 43 | K | 90.4 | Very high | 87.9 | Confident | 121 Ų | 121 | 54.2 Ų | 54.2 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.6 | -40.4 | 176 | -179.7 | 177.3 | 174.5 | 57.7 | 0 | 112.3 | Q39 Q40 Q41 D46 D47 | Q39-K43 WeakPolarHBondContact O-CB 3.27Å; Q39-K43 PolarHBondContact O-N 3.07Å; Q40-K43 PolarHBondContact O-N 2.61Å; Q41-K43 VanDerWaalsContact C-N 3.31Å; Q41-K43 PolarHBondContact O-N 2.71Å; K43-D46 PolarHBondContact O-N 2.85Å; K43-D47 WeakPolarHBondContact O-CB 3.23Å; K43-D47 PolarHBondContact O-N 3.04Å |
| 44 | Q | 91.2 | Very high | 87.3 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 176.5 | -175.2 | 61.4 | 51.9 | 0 | 0 | 110.7 | Q40 Q41 I42 D46 D47 D48 | Q40-Q44 PolarHBondContact O-N 2.9Å; Q41-Q44 WeakPolarHBondContact O-CB 3.24Å; Q41-Q44 PolarHBondContact O-N 3.01Å; I42-Q44 VanDerWaalsContact C-N 3.3Å; I42-Q44 PolarHBondContact O-N 2.91Å; Q44-D46 VanDerWaalsContact C-N 3.3Å; Q44-D46 PolarHBondContact O-N 3.11Å; Q44-D47 PolarHBondContact O-N 3.45Å; Q44-D47 VanDerWaalsContact O-N 3.11Å; Q44-D48 PolarHBondContact NE2-OD1 3.3Å; Q44-D48 PolarHBondContact O-N 3.46Å |
| 45 | W | 90.2 | Very high | 86.7 | Confident | 20 Ų | 20 | 57 Ų | 57 | 8% | 0.076 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 176.5 | -66.3 | -27.3 | 0 | 0 | 0 | 113 | Q41 I42 Y49 V57 Y62 L65 | Q41-W45 HydrophobicContact CG-CD2 4.16Å; Q41-W45 HydrophobicContact CG-CE3 4.31Å; Q41-W45 HydrophobicContact CG-CH2 3.68Å; Q41-W45 HydrophobicContact CG-CZ2 3.47Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.47Å; Q41-W45 HydrophobicContact CG-CZ3 4.1Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.31Å; Q41-W45 PolarHBondContact O-N 2.81Å; I42-W45 HydrophobicContact CG1-CE3 4.24Å; I42-W45 HydrophobicContact CG1-CZ3 4.3Å; I42-W45 PolarHBondContact O-N 3.2Å; W45-Y49 VanDerWaalsContact O-CB 3.26Å; W45-Y49 WeakPolarHBondContact O-CB 2.98Å; W45-Y49 PolarHBondContact O-N 2.67Å; W45-V57 HydrophobicContact CD2-CG1 4.44Å; W45-V57 HydrophobicContact CD2-CG2 3.66Å; W45-V57 HydrophobicContact CE3-CG2 3.86Å; W45-V57 HydrophobicContact CG-CG2 4.16Å; W45-V57 HydrophobicContact CH2-CG1 3.96Å; W45-V57 HydrophobicContact CH2-CG2 4.19Å; W45-V57 HydrophobicContact CZ2-CB 4.31Å; W45-V57 HydrophobicContact CZ2-CG1 3.37Å; W45-V57 HydrophobicContact CZ2-CG2 4.01Å; W45-V57 HydrophobicContact CZ3-CG2 4.12Å; W45-Y62 HydrophobicContact CB-CD2 4.29Å; W45-Y62 HydrophobicContact CB-CE2 4.39Å; W45-Y62 AromaticContact CE3-CD2 3.94Å; W45-Y62 HydrophobicContact CE3-CD2 3.94Å; W45-L65 HydrophobicContact CH2-CD1 3.57Å; W45-L65 HydrophobicContact CZ3-CD1 3.8Å |
| 46 | D | 84.7 | Confident | 86.2 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 173.5 | -73.4 | -23.7 | 0 | 0 | 0 | 111.1 | I42 K43 Q44 Y49 W50 Y62 | I42-D46 PolarHBondContact O-N 2.64Å; K43-D46 PolarHBondContact O-N 2.85Å; Q44-D46 VanDerWaalsContact C-N 3.3Å; Q44-D46 PolarHBondContact O-N 3.11Å; D46-Y49 PolarHBondContact O-N 3.36Å; D46-W50 WeakPolarHBondContact O-CB 3.4Å; D46-W50 PolarHBondContact O-N 3.15Å; D46-Y62 VanDerWaalsContact OD1-CE2 3.3Å; D46-Y62 WeakPolarHBondContact OD1-CE2 3.43Å; D46-Y62 VanDerWaalsContact OD1-CZ 3.26Å; D46-Y62 PolarHBondContact OD1-OH 3Å |
| 47 | D | 83.4 | Confident | 85.8 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 179.5 | -81.3 | -26.3 | 0 | 0 | 0 | 111.4 | K43 Q44 Y49 W50 K51 | K43-D47 WeakPolarHBondContact O-CB 3.23Å; K43-D47 PolarHBondContact O-N 3.04Å; Q44-D47 PolarHBondContact O-N 3.45Å; Q44-D47 VanDerWaalsContact O-N 3.11Å; D47-Y49 VanDerWaalsContact C-N 3.33Å; D47-Y49 PolarHBondContact O-N 3.01Å; D47-W50 PolarHBondContact O-N 3.31Å; D47-K51 HydrophobicContact CB-CD 4.28Å; D47-K51 WeakPolarHBondContact O-CB 3.25Å; D47-K51 WeakPolarHBondContact O-CG 3.15Å; D47-K51 PolarHBondContact O-N 3.37Å; D47-K51 VanDerWaalsContact OD1-CE 3.22Å; D47-K51 WeakPolarHBondContact OD1-CE 3.21Å; D47-K51 IonicContact OD1-NZ 2.75Å; D47-K51 PolarHBondContact OD1-NZ 3.41Å; D47-K51 IonicContact OD2-NZ 2.76Å; D47-K51 PolarHBondContact OD2-NZ 3.1Å |
| 48 | D | 86 | Confident | 85.2 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.6 | -62.3 | -25.5 | 0 | 0 | 0 | 111.6 | Q44 E52 G53 K54 | Q44-D48 PolarHBondContact NE2-OD1 3.3Å; Q44-D48 PolarHBondContact O-N 3.46Å; D48-E52 CarbonylContact O-C 3.6Å; D48-E52 WeakPolarHBondContact O-CA 3.29Å; D48-E52 VanDerWaalsContact O-CB 3.3Å; D48-E52 WeakPolarHBondContact O-CB 3.37Å; D48-E52 PolarHBondContact O-N 3.07Å; D48-G53 PolarHBondContact O-N 3.08Å; D48-G53 VanDerWaalsContact O-N 3.15Å; D48-K54 CarbonylContact C-O 3.59Å; D48-K54 HydrophobicContact CB-CB 4.45Å; D48-K54 PolarHBondContact O-N 2.89Å; D48-K54 VanDerWaalsContact O-N 3.09Å |
| 49 | Y | 81.4 | Confident | 84.5 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.1 | -50.6 | 178.9 | 178.1 | -96.9 | 0 | 0 | 0 | 111.7 | W45 D46 D47 G53 K54 R200 A201 A204 M208 | W45-Y49 VanDerWaalsContact O-CB 3.26Å; W45-Y49 WeakPolarHBondContact O-CB 2.98Å; W45-Y49 PolarHBondContact O-N 2.67Å; D46-Y49 PolarHBondContact O-N 3.36Å; D47-Y49 VanDerWaalsContact C-N 3.33Å; D47-Y49 PolarHBondContact O-N 3.01Å; Y49-G53 WeakPolarHBondContact O-CA 3.48Å; Y49-G53 PolarHBondContact O-N 2.68Å; Y49-K54 WeakPolarHBondContact CA-O 3.41Å; Y49-K54 PolarHBondContact N-O 3.17Å; Y49-R200 HydrophobicContact CE2-CG 4.01Å; Y49-R200 VanDerWaalsContact OH-CD 3.22Å; Y49-R200 WeakPolarHBondContact OH-CD 3.2Å; Y49-R200 WeakPolarHBondContact OH-CG 3.48Å; Y49-A201 HydrophobicContact CD2-CB 4.48Å; Y49-A201 HydrophobicContact CE2-CB 4.38Å; Y49-A204 HydrophobicContact CE2-CB 4.28Å; Y49-M208 WeakPolarHBondContact O-CE 3.49Å |
| 50 | W | 72.1 | Confident | 83.9 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -79.7 | -28 | -172.7 | -70.4 | 117.4 | 0 | 0 | 0 | 113.9 | D46 D47 M85 P86 L88 | D46-W50 WeakPolarHBondContact O-CB 3.4Å; D46-W50 PolarHBondContact O-N 3.15Å; D47-W50 PolarHBondContact O-N 3.31Å; W50-M85 HydrophobicContact CH2-CE 3.97Å; W50-M85 HydrophobicContact CZ2-CE 3.33Å; W50-P86 HydrophobicContact CB-CG 4.25Å; W50-P86 HydrophobicContact CG-CG 4.33Å; W50-L88 HydrophobicContact CB-CD2 3.93Å; W50-L88 HydrophobicContact CD2-CD1 4.38Å; W50-L88 HydrophobicContact CD2-CD2 3.51Å; W50-L88 HydrophobicContact CD2-CG 4.46Å; W50-L88 HydrophobicContact CE3-CD1 4.16Å; W50-L88 HydrophobicContact CE3-CD2 3.17Å; W50-L88 HydrophobicContact CE3-CG 4.29Å; W50-L88 HydrophobicContact CG-CD2 3.85Å; W50-L88 HydrophobicContact CH2-CD1 4.2Å; W50-L88 HydrophobicContact CZ2-CD1 4.47Å; W50-L88 HydrophobicContact CZ3-CD1 4.04Å; W50-L88 HydrophobicContact CZ3-CD2 3.79Å |
| 51 | K | 74.9 | Confident | 83.7 | Confident | 122 Ų | 122 | 56.2 Ų | 56.2 | 53% | 0.53 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -95.2 | -32.8 | -179.6 | -60 | 172.8 | -171.8 | 161.2 | 0 | 112.7 | D47 | D47-K51 HydrophobicContact CB-CD 4.28Å; D47-K51 WeakPolarHBondContact O-CB 3.25Å; D47-K51 WeakPolarHBondContact O-CG 3.15Å; D47-K51 PolarHBondContact O-N 3.37Å; D47-K51 VanDerWaalsContact OD1-CE 3.22Å; D47-K51 WeakPolarHBondContact OD1-CE 3.21Å; D47-K51 IonicContact OD1-NZ 2.75Å; D47-K51 PolarHBondContact OD1-NZ 3.41Å; D47-K51 IonicContact OD2-NZ 2.76Å; D47-K51 PolarHBondContact OD2-NZ 3.1Å |
| 52 | E | 76.6 | Confident | 83.5 | Confident | 94 Ų | 94 | 56.2 Ų | 56.2 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -118.9 | -9.9 | -172 | -48.9 | -168.5 | -179.9 | 0 | 0 | 113.7 | D48 K54 | D48-E52 CarbonylContact O-C 3.6Å; D48-E52 WeakPolarHBondContact O-CA 3.29Å; D48-E52 VanDerWaalsContact O-CB 3.3Å; D48-E52 WeakPolarHBondContact O-CB 3.37Å; D48-E52 PolarHBondContact O-N 3.07Å; E52-K54 HydrophobicContact CB-CB 4.37Å; E52-K54 HydrophobicContact CB-CD 4.09Å; E52-K54 HydrophobicContact CB-CG 3.98Å; E52-K54 PolarHBondContact O-N 3.24Å; E52-K54 WeakPolarHBondContact OE2-CD 3.42Å; E52-K54 VanDerWaalsContact OE2-CE 3.23Å; E52-K54 WeakPolarHBondContact OE2-CE 3.12Å; E52-K54 IonicContact OE2-NZ 3.55Å; E52-K54 PolarHBondContact OE2-NZ 3Å |
| 53 | G | 74.6 | Confident | 83.2 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | trans | 64 | 28 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D48 Y49 G205 M208 | D48-G53 PolarHBondContact O-N 3.08Å; D48-G53 VanDerWaalsContact O-N 3.15Å; Y49-G53 WeakPolarHBondContact O-CA 3.48Å; Y49-G53 PolarHBondContact O-N 2.68Å; G53-G205 PolarHBondContact O-N 3.47Å; G53-M208 PolarHBondContact N-SD 3.05Å | ||
| 54 | K | 80.7 | Confident | 83.2 | Confident | 122 Ų | 122 | 54.3 Ų | 54.3 | 53% | 0.53 | 26% | 0.262 | S | S | . | . | trans | -104.4 | 146.3 | 178.7 | -68 | -179 | -171.3 | 161.1 | 0 | 110.2 | D48 Y49 E52 | D48-K54 CarbonylContact C-O 3.59Å; D48-K54 HydrophobicContact CB-CB 4.45Å; D48-K54 PolarHBondContact O-N 2.89Å; D48-K54 VanDerWaalsContact O-N 3.09Å; Y49-K54 WeakPolarHBondContact CA-O 3.41Å; Y49-K54 PolarHBondContact N-O 3.17Å; E52-K54 HydrophobicContact CB-CB 4.37Å; E52-K54 HydrophobicContact CB-CD 4.09Å; E52-K54 HydrophobicContact CB-CG 3.98Å; E52-K54 PolarHBondContact O-N 3.24Å; E52-K54 WeakPolarHBondContact OE2-CD 3.42Å; E52-K54 VanDerWaalsContact OE2-CE 3.23Å; E52-K54 WeakPolarHBondContact OE2-CE 3.12Å; E52-K54 IonicContact OE2-NZ 3.55Å; E52-K54 PolarHBondContact OE2-NZ 3Å | ||
| 55 | S | 82.6 | Confident | 83.4 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | trans | -139.4 | 106.4 | 178 | 166.7 | 0 | 0 | 0 | 0 | 107.1 | V57 | S55-V57 VanDerWaalsContact C-N 3.31Å; S55-V57 PolarHBondContact OG-O 3.1Å | ||
| 56 | E | 83.9 | Confident | 83.5 | Confident | 138 Ų | 138 | 50.1 Ų | 50.1 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -77 | -22.3 | -179.6 | -60 | -168.6 | 149.6 | 0 | 0 | 112.3 | ||
| 57 | V | 86.2 | Confident | 83.7 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -126 | 149 | -179.1 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | W45 S55 V61 | W45-V57 HydrophobicContact CD2-CG1 4.44Å; W45-V57 HydrophobicContact CD2-CG2 3.66Å; W45-V57 HydrophobicContact CE3-CG2 3.86Å; W45-V57 HydrophobicContact CG-CG2 4.16Å; W45-V57 HydrophobicContact CH2-CG1 3.96Å; W45-V57 HydrophobicContact CH2-CG2 4.19Å; W45-V57 HydrophobicContact CZ2-CB 4.31Å; W45-V57 HydrophobicContact CZ2-CG1 3.37Å; W45-V57 HydrophobicContact CZ2-CG2 4.01Å; W45-V57 HydrophobicContact CZ3-CG2 4.12Å; S55-V57 VanDerWaalsContact C-N 3.31Å; S55-V57 PolarHBondContact OG-O 3.1Å; V57-V61 HydrophobicContact CB-CB 4.43Å; V57-V61 HydrophobicContact CB-CG1 4.34Å |
| 58 | E | 81.9 | Confident | 84.1 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | trans | -62.4 | 144.8 | 175 | -62.1 | -172.5 | 173.6 | 0 | 0 | 112.3 | G60 V61 Y62 N198 | E58-G60 PolarHBondContact O-N 3.24Å; E58-V61 HydrophobicContact CB-CG2 4.33Å; E58-V61 WeakPolarHBondContact O-CA 3.29Å; E58-V61 WeakPolarHBondContact O-CB 3.46Å; E58-V61 PolarHBondContact O-N 3.41Å; E58-Y62 PolarHBondContact O-N 2.63Å; E58-N198 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 59 | D | 80 | Confident | 84.5 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -50.3 | -37.4 | 178.4 | -83.2 | 23.2 | 0 | 0 | 0 | 112.4 | V61 Y62 D63 R200 | D59-V61 VanDerWaalsContact C-N 3.34Å; D59-V61 PolarHBondContact O-N 2.92Å; D59-Y62 PolarHBondContact O-N 3.03Å; D59-D63 WeakPolarHBondContact O-CB 3.38Å; D59-D63 PolarHBondContact O-N 2.89Å; D59-R200 IonicContact OD2-NH1 3.15Å; D59-R200 PolarHBondContact OD2-NH1 2.91Å; D59-R200 VanDerWaalsContact OD2-NH1 3.08Å |
| 60 | G | 81.7 | Confident | 85 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E58 Q64 | E58-G60 PolarHBondContact O-N 3.24Å; G60-Q64 WeakPolarHBondContact O-CB 3.48Å; G60-Q64 WeakPolarHBondContact O-CG 3.48Å; G60-Q64 PolarHBondContact O-N 2.93Å; G60-Q64 PolarHBondContact O-NE2 3.16Å |
| 61 | V | 89.1 | Confident | 85.9 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72 | -46.8 | 175.4 | 175 | 0 | 0 | 0 | 0 | 109.8 | V57 E58 D59 D63 Q64 L65 L367 V382 | V57-V61 HydrophobicContact CB-CB 4.43Å; V57-V61 HydrophobicContact CB-CG1 4.34Å; E58-V61 HydrophobicContact CB-CG2 4.33Å; E58-V61 WeakPolarHBondContact O-CA 3.29Å; E58-V61 WeakPolarHBondContact O-CB 3.46Å; E58-V61 PolarHBondContact O-N 3.41Å; D59-V61 VanDerWaalsContact C-N 3.34Å; D59-V61 PolarHBondContact O-N 2.92Å; V61-D63 PolarHBondContact O-N 2.96Å; V61-Q64 PolarHBondContact O-N 3.01Å; V61-L65 HydrophobicContact CG1-CD1 3.82Å; V61-L65 HydrophobicContact CG1-CG 4.28Å; V61-L65 WeakPolarHBondContact O-CB 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.48Å; V61-L65 PolarHBondContact O-N 3.05Å; V61-L367 HydrophobicContact CG2-CD1 3.98Å; V61-L367 HydrophobicContact CG2-CD2 3.83Å; V61-L367 HydrophobicContact CG2-CG 4.46Å; V61-V382 HydrophobicContact CG1-CB 3.68Å; V61-V382 HydrophobicContact CG1-CG1 3.62Å; V61-V382 HydrophobicContact CG1-CG2 4.22Å; V61-V382 HydrophobicContact CG2-CG1 4.01Å |
| 62 | Y | 89.7 | Confident | 86.8 | Confident | 64 Ų | 64 | 46.7 Ų | 46.7 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56 | -50.2 | 176.3 | 175.6 | -82.3 | 0 | 0 | 0 | 111.7 | I42 W45 D46 E58 D59 Q64 L65 S66 | I42-Y62 HydrophobicContact CG2-CE2 3.98Å; W45-Y62 HydrophobicContact CB-CD2 4.29Å; W45-Y62 HydrophobicContact CB-CE2 4.39Å; W45-Y62 AromaticContact CE3-CD2 3.94Å; W45-Y62 HydrophobicContact CE3-CD2 3.94Å; D46-Y62 VanDerWaalsContact OD1-CE2 3.3Å; D46-Y62 WeakPolarHBondContact OD1-CE2 3.43Å; D46-Y62 VanDerWaalsContact OD1-CZ 3.26Å; D46-Y62 PolarHBondContact OD1-OH 3Å; E58-Y62 PolarHBondContact O-N 2.63Å; D59-Y62 PolarHBondContact O-N 3.03Å; Y62-Q64 VanDerWaalsContact C-N 3.3Å; Y62-Q64 PolarHBondContact O-N 3.29Å; Y62-L65 PolarHBondContact O-N 3.22Å; Y62-S66 WeakPolarHBondContact CE1-OG 3.43Å; Y62-S66 VanDerWaalsContact O-CB 3.28Å; Y62-S66 WeakPolarHBondContact O-CB 3.22Å; Y62-S66 PolarHBondContact O-N 3.28Å; Y62-S66 PolarHBondContact O-OG 3Å |
| 63 | D | 86.4 | Confident | 87.6 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -42.5 | -179.9 | -89 | -17.7 | 0 | 0 | 0 | 110.6 | D59 V61 A67 K103 K305 | D59-D63 WeakPolarHBondContact O-CB 3.38Å; D59-D63 PolarHBondContact O-N 2.89Å; V61-D63 PolarHBondContact O-N 2.96Å; D63-A67 WeakPolarHBondContact O-CB 3.41Å; D63-A67 PolarHBondContact O-N 3.32Å; D63-K103 IonicContact OD1-NZ 2.71Å; D63-K305 IonicContact OD2-NZ 3.71Å; D63-K305 PolarHBondContact OD2-NZ 3.36Å |
| 64 | Q | 91 | Very high | 88.4 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.8 | -39.5 | -178.1 | -72.9 | 176.6 | 75.1 | 0 | 0 | 113.2 | G60 V61 Y62 A67 R68 A310 Q311 V312 | G60-Q64 WeakPolarHBondContact O-CB 3.48Å; G60-Q64 WeakPolarHBondContact O-CG 3.48Å; G60-Q64 PolarHBondContact O-N 2.93Å; G60-Q64 PolarHBondContact O-NE2 3.16Å; V61-Q64 PolarHBondContact O-N 3.01Å; Y62-Q64 VanDerWaalsContact C-N 3.3Å; Y62-Q64 PolarHBondContact O-N 3.29Å; Q64-A67 PolarHBondContact O-N 3.28Å; Q64-R68 WeakPolarHBondContact O-CB 3.3Å; Q64-R68 PolarHBondContact O-N 3.07Å; Q64-A310 PolarHBondContact NE2-O 2.79Å; Q64-Q311 VanDerWaalsContact OE1-CA 3.29Å; Q64-V312 HydrophobicContact CB-CB 4.08Å; Q64-V312 HydrophobicContact CB-CG2 3.75Å; Q64-V312 HydrophobicContact CG-CG2 4.44Å |
| 65 | L | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.8 | -34.9 | 175.7 | -72.6 | -179.4 | 0 | 0 | 0 | 112.1 | L38 W45 V61 Y62 R68 L69 V312 Q365 V382 W383 | L38-L65 HydrophobicContact CD1-CB 4.35Å; W45-L65 HydrophobicContact CH2-CD1 3.57Å; W45-L65 HydrophobicContact CZ3-CD1 3.8Å; V61-L65 HydrophobicContact CG1-CD1 3.82Å; V61-L65 HydrophobicContact CG1-CG 4.28Å; V61-L65 WeakPolarHBondContact O-CB 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.48Å; V61-L65 PolarHBondContact O-N 3.05Å; Y62-L65 PolarHBondContact O-N 3.22Å; L65-R68 WeakPolarHBondContact O-CB 3.43Å; L65-R68 PolarHBondContact O-N 3.27Å; L65-L69 PolarHBondContact O-N 3.46Å; L65-V312 HydrophobicContact CD2-CG1 4.12Å; L65-Q365 HydrophobicContact CD2-CB 4.47Å; L65-Q365 HydrophobicContact CD2-CG 4.41Å; L65-V382 HydrophobicContact CD1-CB 4.3Å; L65-V382 HydrophobicContact CD1-CG2 4.31Å; L65-V382 HydrophobicContact CD2-CG2 4.35Å; L65-W383 HydrophobicContact CD2-CB 4.21Å |
| 66 | S | 92.3 | Very high | 89.4 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 172 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | Y62 R68 L69 T70 | Y62-S66 WeakPolarHBondContact CE1-OG 3.43Å; Y62-S66 VanDerWaalsContact O-CB 3.28Å; Y62-S66 WeakPolarHBondContact O-CB 3.22Å; Y62-S66 PolarHBondContact O-N 3.28Å; Y62-S66 PolarHBondContact O-OG 3Å; S66-R68 VanDerWaalsContact C-N 3.29Å; S66-R68 PolarHBondContact O-N 2.92Å; S66-L69 PolarHBondContact O-N 3.29Å; S66-T70 PolarHBondContact O-N 3.26Å; S66-T70 PolarHBondContact O-OG1 3.49Å |
| 67 | A | 89.8 | Confident | 89.4 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 50% | 0.504 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D63 Q64 T70 Q71 | D63-A67 WeakPolarHBondContact O-CB 3.41Å; D63-A67 PolarHBondContact O-N 3.32Å; Q64-A67 PolarHBondContact O-N 3.28Å; A67-T70 PolarHBondContact O-N 2.88Å; A67-Q71 PolarHBondContact O-N 3.45Å |
| 68 | R | 92.3 | Very high | 88.8 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 15% | 0.151 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 175 | -175.4 | 63.9 | 65 | 141 | 8.7 | 112 | Q64 L65 S66 Q71 W72 E314 | Q64-R68 WeakPolarHBondContact O-CB 3.3Å; Q64-R68 PolarHBondContact O-N 3.07Å; L65-R68 WeakPolarHBondContact O-CB 3.43Å; L65-R68 PolarHBondContact O-N 3.27Å; S66-R68 VanDerWaalsContact C-N 3.29Å; S66-R68 PolarHBondContact O-N 2.92Å; R68-Q71 WeakPolarHBondContact O-CB 3.41Å; R68-Q71 PolarHBondContact O-N 2.98Å; R68-W72 HydrophobicContact CG-CD2 4.06Å; R68-W72 HydrophobicContact CG-CH2 4Å; R68-W72 HydrophobicContact CG-CZ2 3.48Å; R68-W72 VanDerWaalsContact CG-CZ2 3.48Å; R68-W72 HydrophobicContact CG-CZ3 4.49Å; R68-W72 PolarHBondContact O-N 3.42Å; R68-E314 IonicContact NH1-OE2 3.06Å |
| 69 | L | 93.6 | Very high | 88 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 174.9 | 177 | 61.4 | 0 | 0 | 0 | 111 | I35 L38 Q39 I42 L65 S66 Q71 W72 Q73 | I35-L69 HydrophobicContact CB-CD1 4.42Å; I35-L69 HydrophobicContact CG2-CD1 3.94Å; L38-L69 HydrophobicContact CB-CD1 4.36Å; L38-L69 HydrophobicContact CD2-CB 3.79Å; L38-L69 HydrophobicContact CD2-CD1 4.4Å; L38-L69 HydrophobicContact CG-CB 4.2Å; L38-L69 HydrophobicContact CG-CD1 4.42Å; Q39-L69 HydrophobicContact CB-CD1 4.34Å; Q39-L69 HydrophobicContact CB-CD2 3.93Å; Q39-L69 HydrophobicContact CG-CD2 4.31Å; I42-L69 HydrophobicContact CD1-CB 4.04Å; I42-L69 HydrophobicContact CD1-CD2 3.73Å; L65-L69 PolarHBondContact O-N 3.46Å; S66-L69 PolarHBondContact O-N 3.29Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-Q71 PolarHBondContact O-N 3.27Å; L69-W72 PolarHBondContact O-N 2.87Å; L69-W72 VanDerWaalsContact O-N 3.17Å; L69-Q73 HydrophobicContact CD1-CG 4.21Å; L69-Q73 HydrophobicContact CG-CG 4.44Å; L69-Q73 WeakPolarHBondContact O-CB 3.49Å; L69-Q73 WeakPolarHBondContact O-CG 3.33Å; L69-Q73 PolarHBondContact O-N 2.92Å |
| 70 | T | 91.7 | Very high | 87 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | S66 A67 R74 | S66-T70 PolarHBondContact O-N 3.26Å; S66-T70 PolarHBondContact O-OG1 3.49Å; A67-T70 PolarHBondContact O-N 2.88Å; T70-R74 WeakPolarHBondContact O-CB 3.38Å; T70-R74 PolarHBondContact O-N 3.4Å |
| 71 | Q | 91.8 | Very high | 85.6 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 174.8 | -175.8 | -163.7 | -6.1 | 0 | 0 | 111.1 | A21 A67 R68 L69 R74 C75 | A21-Q71 HydrophobicContact CB-CG 4.15Å; A67-Q71 PolarHBondContact O-N 3.45Å; R68-Q71 WeakPolarHBondContact O-CB 3.41Å; R68-Q71 PolarHBondContact O-N 2.98Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-Q71 PolarHBondContact O-N 3.27Å; Q71-R74 PolarHBondContact O-N 3.03Å; Q71-C75 PolarHBondContact O-N 3.13Å; Q71-C75 PolarHBondContact O-SG 3.5Å |
| 72 | W | 93.1 | Very high | 83.7 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 179.8 | -66.7 | -19.3 | 0 | 0 | 0 | 112.1 | W26 E34 I35 L38 R68 L69 R74 C75 F76 W383 | W26-W72 AromaticContact CH2-CD2 3.93Å; W26-W72 HydrophobicContact CH2-CD2 3.93Å; W26-W72 AromaticContact CH2-CE2 3.46Å; W26-W72 VanDerWaalsContact CH2-CE2 3.46Å; W26-W72 HydrophobicContact CH2-CE3 4.35Å; W26-W72 HydrophobicContact CH2-CG 4.48Å; W26-W72 HydrophobicContact CH2-CH2 4.03Å; W26-W72 AromaticContact CH2-CZ2 3.56Å; W26-W72 HydrophobicContact CH2-CZ2 3.56Å; W26-W72 HydrophobicContact CH2-CZ3 4.38Å; W26-W72 AromaticContact CH2-NE1 3.73Å; W26-W72 HydrophobicContact CZ2-CZ2 4.4Å; W26-W72 AromaticContact CZ3-CD2 3.94Å; W26-W72 HydrophobicContact CZ3-CD2 3.94Å; W26-W72 AromaticContact CZ3-CE2 3.94Å; W26-W72 HydrophobicContact CZ3-CE3 4.35Å; W26-W72 HydrophobicContact CZ3-CG 4.17Å; W26-W72 HydrophobicContact CZ3-CZ2 4.4Å; E34-W72 HydrophobicContact CB-CE3 4.38Å; E34-W72 HydrophobicContact CB-CZ3 4.18Å; I35-W72 HydrophobicContact CD1-CB 4.21Å; I35-W72 HydrophobicContact CG1-CB 3.83Å; L38-W72 HydrophobicContact CB-CZ3 4.11Å; L38-W72 HydrophobicContact CD2-CE3 3.78Å; L38-W72 HydrophobicContact CD2-CH2 4.05Å; L38-W72 HydrophobicContact CD2-CZ3 3.36Å; L38-W72 HydrophobicContact CG-CZ3 4.36Å; R68-W72 HydrophobicContact CG-CD2 4.06Å; R68-W72 HydrophobicContact CG-CH2 4Å; R68-W72 HydrophobicContact CG-CZ2 3.48Å; R68-W72 VanDerWaalsContact CG-CZ2 3.48Å; R68-W72 HydrophobicContact CG-CZ3 4.49Å; R68-W72 PolarHBondContact O-N 3.42Å; L69-W72 PolarHBondContact O-N 2.87Å; L69-W72 VanDerWaalsContact O-N 3.17Å; W72-R74 VanDerWaalsContact C-N 3.29Å; W72-R74 PolarHBondContact O-N 2.65Å; W72-C75 WeakPolarHBondContact O-CB 3.46Å; W72-C75 PolarHBondContact O-N 3.35Å; W72-C75 VanDerWaalsContact O-N 3.07Å; W72-F76 VanDerWaalsContact O-CD2 3.3Å; W72-F76 WeakPolarHBondContact O-CD2 3.46Å; W72-F76 PolarHBondContact O-N 2.64Å; W72-F76 VanDerWaalsContact O-N 3.08Å; W72-W383 AromaticContact CH2-NE1 3.84Å |
| 73 | Q | 92.6 | Very high | 81.6 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53.9 | -46.4 | 174.6 | -77.8 | 173.3 | -26.6 | 0 | 0 | 111.7 | I35 L69 C75 F76 G77 S78 | I35-Q73 HydrophobicContact CG2-CG 3.94Å; L69-Q73 HydrophobicContact CD1-CG 4.21Å; L69-Q73 HydrophobicContact CG-CG 4.44Å; L69-Q73 WeakPolarHBondContact O-CB 3.49Å; L69-Q73 WeakPolarHBondContact O-CG 3.33Å; L69-Q73 PolarHBondContact O-N 2.92Å; Q73-C75 PolarHBondContact O-N 3.35Å; Q73-F76 PolarHBondContact O-N 2.88Å; Q73-G77 PolarHBondContact O-N 2.85Å; Q73-S78 CarbonylContact C-O 3.56Å; Q73-S78 WeakPolarHBondContact CB-O 3.46Å; Q73-S78 PolarHBondContact O-N 3.04Å |
| 74 | R | 91.7 | Very high | 79.4 | Confident | 195 Ų | 195 | 72.7 Ų | 72.7 | 74% | 0.736 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 175.4 | -173.8 | -177.9 | -63.8 | 150 | 2.6 | 112.7 | T70 Q71 W72 F76 | T70-R74 WeakPolarHBondContact O-CB 3.38Å; T70-R74 PolarHBondContact O-N 3.4Å; Q71-R74 PolarHBondContact O-N 3.03Å; W72-R74 VanDerWaalsContact C-N 3.29Å; W72-R74 PolarHBondContact O-N 2.65Å; R74-F76 VanDerWaalsContact C-N 3.31Å; R74-F76 PolarHBondContact O-N 2.89Å |
| 75 | C | 92.8 | Very high | 77.4 | Confident | 34 Ų | 34 | 76 Ų | 76 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.6 | -34.5 | -178.6 | -75.1 | 0 | 0 | 0 | 0 | 113.5 | C23 Q71 W72 Q73 | C23-C75 WeakPolarHBondContact CA-SG 3.44Å; C23-C75 HydrophobicContact CB-CB 3.58Å; C23-C75 WeakPolarHBondContact CB-SG 3.32Å; C23-C75 VanDerWaalsContact SG-CA 3.52Å; C23-C75 WeakPolarHBondContact SG-CB 3.46Å; C23-C75 CovalentContact SG-SG 2.03Å; C23-C75 PolarHBondContact SG-SG 3.1Å; Q71-C75 PolarHBondContact O-N 3.13Å; Q71-C75 PolarHBondContact O-SG 3.5Å; W72-C75 WeakPolarHBondContact O-CB 3.46Å; W72-C75 PolarHBondContact O-N 3.35Å; W72-C75 VanDerWaalsContact O-N 3.07Å; Q73-C75 PolarHBondContact O-N 3.35Å |
| 76 | F | 91.9 | Very high | 75 | Confident | 63 Ų | 63 | 77.2 Ų | 77.2 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -111.7 | 10.8 | -174.6 | -61.9 | -77.4 | 0 | 0 | 0 | 113.7 | P24 W26 A31 I35 W72 Q73 R74 S78 | P24-F76 HydrophobicContact CG-CE2 3.75Å; P24-F76 HydrophobicContact CG-CZ 3.91Å; P24-F76 VanDerWaalsContact O-CZ 3.3Å; P24-F76 WeakPolarHBondContact O-CZ 3.32Å; W26-F76 HydrophobicContact CB-CE1 4.27Å; W26-F76 HydrophobicContact CB-CZ 3.83Å; W26-F76 HydrophobicContact CD2-CE2 4.5Å; W26-F76 HydrophobicContact CD2-CZ 4.32Å; W26-F76 AromaticContact CE3-CE2 3.71Å; W26-F76 HydrophobicContact CE3-CE2 3.71Å; W26-F76 AromaticContact CE3-CZ 3.92Å; W26-F76 HydrophobicContact CE3-CZ 3.92Å; W26-F76 HydrophobicContact CG-CZ 4.32Å; W26-F76 HydrophobicContact CZ3-CE2 4.32Å; A31-F76 HydrophobicContact CB-CB 4.18Å; A31-F76 HydrophobicContact CB-CD1 3.54Å; A31-F76 HydrophobicContact CB-CD2 3.61Å; A31-F76 HydrophobicContact CB-CE1 3.7Å; A31-F76 HydrophobicContact CB-CE2 3.78Å; A31-F76 HydrophobicContact CB-CG 3.5Å; A31-F76 VanDerWaalsContact CB-CG 3.5Å; A31-F76 HydrophobicContact CB-CZ 3.82Å; I35-F76 HydrophobicContact CD1-CB 4.31Å; I35-F76 HydrophobicContact CD1-CD2 4.29Å; W72-F76 VanDerWaalsContact O-CD2 3.3Å; W72-F76 WeakPolarHBondContact O-CD2 3.46Å; W72-F76 PolarHBondContact O-N 2.64Å; W72-F76 VanDerWaalsContact O-N 3.08Å; Q73-F76 PolarHBondContact O-N 2.88Å; R74-F76 VanDerWaalsContact C-N 3.31Å; R74-F76 PolarHBondContact O-N 2.89Å; F76-S78 VanDerWaalsContact C-N 3.27Å; F76-S78 PolarHBondContact O-N 2.94Å |
| 77 | G | 84.3 | Confident | 72.8 | Confident | 67 Ų | 67 | 81.5 Ų | 81.5 | 69% | 0.691 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 22.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q73 | Q73-G77 PolarHBondContact O-N 2.85Š|
| 78 | S | 74.1 | Confident | 71.1 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | trans | -79.5 | 121.9 | 167.6 | -68.3 | 0 | 0 | 0 | 0 | 108.7 | Q73 F76 | Q73-S78 CarbonylContact C-O 3.56Å; Q73-S78 WeakPolarHBondContact CB-O 3.46Å; Q73-S78 PolarHBondContact O-N 3.04Å; F76-S78 VanDerWaalsContact C-N 3.27Å; F76-S78 PolarHBondContact O-N 2.94Å | ||
| 79 | E | 64.5 | Low | 69.5 | Low | 175 Ų | 175 | 83.5 Ų | 83.5 | 82% | 0.818 | 44% | 0.439 | S | S | * | . | trans | -59.8 | 133.8 | 172.3 | -75.2 | -159.5 | 158.4 | 0 | 0 | 109.8 | R81 | E79-R81 PolarHBondContact O-N 3.24Š| ||
| 80 | P | 58.3 | Low | 68.2 | Low | 84 Ų | 84 | 84.3 Ų | 84.3 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | trans | -60.7 | 105.4 | 166.7 | -2.8 | 14.8 | 0 | 0 | 0 | 106.2 | D82 | P80-D82 PolarHBondContact O-N 3.45Š| ||
| 81 | R | 53.8 | Low | 67.8 | Low | 198 Ų | 198 | 85.7 Ų | 85.7 | 75% | 0.747 | 47% | 0.468 | S | S | * | . | trans | -61.2 | 112.4 | 163.5 | -79.1 | -171.9 | 175.8 | -175.8 | -0.4 | 105.1 | E79 V83 | E79-R81 PolarHBondContact O-N 3.24Å; R81-V83 PolarHBondContact O-N 3.44Å | ||
| 82 | D | 48.8 | Very low | 67.9 | Low | 153 Ų | 153 | 85.3 Ų | 85.3 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | trans | -45.1 | 113 | 175.6 | -127.2 | -13 | 0 | 0 | 0 | 106.2 | P80 M84 | P80-D82 PolarHBondContact O-N 3.45Å; D82-M84 PolarHBondContact O-N 2.9Å | ||
| 83 | V | 45.7 | Very low | 67.9 | Low | 79 Ų | 79 | 90.5 Ų | 90.5 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | trans | -69.9 | 82.8 | 172.6 | -177.2 | 0 | 0 | 0 | 0 | 103 | R81 M85 | R81-V83 PolarHBondContact O-N 3.44Å; V83-M85 PolarHBondContact O-N 3.35Å | ||
| 84 | M | 40.5 | Very low | 68.1 | Low | 166 Ų | 166 | 90.8 Ų | 90.8 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | trans | -52.4 | 104.4 | 165.5 | -113 | 177.7 | 70.6 | 0 | 0 | 103.3 | D82 P86 | D82-M84 PolarHBondContact O-N 2.9Å; M84-P86 VanDerWaalsContact O-N 3.15Å | ||
| 85 | M | 47.2 | Very low | 68.3 | Low | 103 Ų | 103 | 84.7 Ų | 84.7 | 51% | 0.507 | 48% | 0.481 | S | S | . | . | trans | -43 | 128.7 | 172.4 | -67.3 | -175.9 | 72.1 | 0 | 0 | 105.6 | W50 V83 L88 | W50-M85 HydrophobicContact CH2-CE 3.97Å; W50-M85 HydrophobicContact CZ2-CE 3.33Å; V83-M85 PolarHBondContact O-N 3.35Å; M85-L88 HydrophobicContact CE-CD1 3.79Å | ||
| 86 | P | 43.5 | Very low | 68.5 | Low | 25 Ų | 25 | 83.6 Ų | 83.6 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | trans | -50.1 | 142.5 | -177.2 | 21.2 | -30.8 | 0 | 0 | 0 | 107.6 | W50 M84 L88 | W50-P86 HydrophobicContact CB-CG 4.25Å; W50-P86 HydrophobicContact CG-CG 4.33Å; M84-P86 VanDerWaalsContact O-N 3.15Å; P86-L88 VanDerWaalsContact C-N 3.32Å; P86-L88 WeakPolarHBondContact O-CG 3.37Å; P86-L88 PolarHBondContact O-N 2.98Å | ||
| 87 | P | 46.3 | Very low | 68.7 | Low | 116 Ų | 116 | 81.1 Ų | 81.1 | 75% | 0.753 | 47% | 0.465 | S | S | * | . | trans | -55.3 | 103.6 | -176.5 | 21.6 | -30.8 | 0 | 0 | 0 | 107.6 | N89 | P87-N89 PolarHBondContact O-N 2.84Å; P87-N89 VanDerWaalsContact O-N 3.14Å | ||
| 88 | L | 54.8 | Low | 69.2 | Low | 31 Ų | 31 | 78.1 Ų | 78.1 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | trans | -68.7 | 118.3 | -170.9 | -84.8 | 162.3 | 0 | 0 | 0 | 106.9 | W50 M85 P86 G90 G147 | W50-L88 HydrophobicContact CB-CD2 3.93Å; W50-L88 HydrophobicContact CD2-CD1 4.38Å; W50-L88 HydrophobicContact CD2-CD2 3.51Å; W50-L88 HydrophobicContact CD2-CG 4.46Å; W50-L88 HydrophobicContact CE3-CD1 4.16Å; W50-L88 HydrophobicContact CE3-CD2 3.17Å; W50-L88 HydrophobicContact CE3-CG 4.29Å; W50-L88 HydrophobicContact CG-CD2 3.85Å; W50-L88 HydrophobicContact CH2-CD1 4.2Å; W50-L88 HydrophobicContact CZ2-CD1 4.47Å; W50-L88 HydrophobicContact CZ3-CD1 4.04Å; W50-L88 HydrophobicContact CZ3-CD2 3.79Å; M85-L88 HydrophobicContact CE-CD1 3.79Å; P86-L88 VanDerWaalsContact C-N 3.32Å; P86-L88 WeakPolarHBondContact O-CG 3.37Å; P86-L88 PolarHBondContact O-N 2.98Å; L88-G90 PolarHBondContact O-N 2.88Å; L88-G147 WeakPolarHBondContact CD1-O 3.38Å | ||
| 89 | N | 59.4 | Low | 70.1 | Confident | 111 Ų | 111 | 76.9 Ų | 76.9 | 59% | 0.594 | 42% | 0.424 | S | S | * | . | trans | -54.5 | 137.1 | -178.9 | -69.2 | -29.4 | 0 | 0 | 0 | 109.3 | P87 E153 | P87-N89 PolarHBondContact O-N 2.84Å; P87-N89 VanDerWaalsContact O-N 3.14Å; N89-E153 WeakPolarHBondContact O-CG 3.46Å | ||
| 90 | G | 64.8 | Low | 71.5 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | trans | 144.8 | 114.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L88 G152 | L88-G90 PolarHBondContact O-N 2.88Å; G90-G152 CarbonylContact C-O 3.59Å; G90-G152 VanDerWaalsContact C-O 3.22Å; G90-G152 WeakPolarHBondContact CA-O 3.29Å | ||
| 91 | A | 84.3 | Confident | 73.1 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 77% | 0.769 | 39% | 0.386 | S | S | * | . | trans | -96.1 | -9.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M93 G152 | A91-M93 PolarHBondContact O-N 2.81Å; A91-G152 PolarHBondContact N-O 3.49Å | ||
| 92 | V | 93.1 | Very high | 74.9 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 17% | 0.17 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 117.1 | -171.8 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | I144 K151 G152 D154 | V92-I144 HydrophobicContact CB-CG2 4.12Å; V92-I144 HydrophobicContact CG1-CD1 3.72Å; V92-I144 HydrophobicContact CG1-CG1 3.96Å; V92-I144 HydrophobicContact CG1-CG2 4.25Å; V92-K151 CarbonylContact O-C 3.56Å; V92-K151 WeakPolarHBondContact O-CA 3.32Å; V92-G152 PolarHBondContact N-O 3.03Å; V92-G152 PolarHBondContact O-N 2.94Å; V92-D154 HydrophobicContact CG2-CB 4.04Å |
| 93 | M | 94.6 | Very high | 76.9 | Confident | 111 Ų | 111 | 64.3 Ų | 64.3 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 134.3 | 173.1 | -71.8 | -66.7 | -59.5 | 0 | 0 | 110.9 | A91 K151 | A91-M93 PolarHBondContact O-N 2.81Å; M93-K151 HydrophobicContact CG-CG 4.25Å; M93-K151 HydrophobicContact SD-CD 3.8Å; M93-K151 WeakPolarHBondContact SD-CE 3.26Å; M93-K151 HydrophobicContact SD-CG 3.31Å; M93-K151 WeakPolarHBondContact SD-CG 3.28Å |
| 94 | H | 96.1 | Very high | 79.2 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 7% | 0.065 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 136.7 | 167.9 | -75.3 | -72.4 | 0 | 0 | 0 | 110.5 | V96 H98 T132 I144 S145 R146 L150 | H94-V96 WeakPolarHBondContact CB-O 3.48Å; H94-V96 PolarHBondContact O-N 3.35Å; H94-H98 AromaticContact CE1-CD2 3.73Å; H94-H98 AromaticContact CE1-NE2 3.75Å; H94-H98 AromaticContact ND1-CD2 3.98Å; H94-H98 AromaticContact NE2-CD2 3.84Å; H94-T132 PolarHBondContact CE1-OG1 2.99Å; H94-T132 WeakPolarHBondContact ND1-CB 3.27Å; H94-T132 PolarHBondContact ND1-OG1 2.93Å; H94-I144 WeakPolarHBondContact CE1-CG2 3.29Å; H94-S145 PolarHBondContact CE1-O 2.93Å; H94-S145 PolarHBondContact NE2-O 3.23Å; H94-R146 PolarHBondContact NE2-O 3.13Å; H94-L150 PolarHBondContact N-O 3.12Å |
| 95 | P | 96.1 | Very high | 81.4 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -62.7 | -31.8 | 169.4 | -21.2 | 32.3 | 0 | 0 | 0 | 112.7 | V134 T177 | P95-V134 HydrophobicContact CG-CG2 3.79Å; P95-T177 HydrophobicContact CB-CG2 4.46Å |
| 96 | V | 96 | Very high | 83.4 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -135.3 | 127 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | H94 T177 Q179 P227 W293 | H94-V96 WeakPolarHBondContact CB-O 3.48Å; H94-V96 PolarHBondContact O-N 3.35Å; V96-T177 HydrophobicContact CG2-CG2 4.42Å; V96-Q179 PolarHBondContact O-NE2 2.89Å; V96-P227 HydrophobicContact CB-CG 4.28Å; V96-P227 HydrophobicContact CG1-CB 3.98Å; V96-P227 HydrophobicContact CG1-CG 3.86Å; V96-P227 HydrophobicContact CG2-CB 4.2Å; V96-P227 HydrophobicContact CG2-CG 4.3Å; V96-W293 HydrophobicContact CG1-CB 4.49Å; V96-W293 HydrophobicContact CG1-CD2 4.06Å; V96-W293 HydrophobicContact CG1-CE3 3.53Å; V96-W293 HydrophobicContact CG1-CG 4.49Å; V96-W293 HydrophobicContact CG1-CZ3 4.06Å |
| 97 | A | 96.1 | Very high | 85.8 | Confident | 11 Ų | 11 | 60 Ų | 60 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | trans | -64.5 | 150.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | G149 L150 Q179 W293 | A97-G149 CarbonylContact C-O 3.51Å; A97-G149 WeakPolarHBondContact CA-O 3.04Å; A97-G149 WeakPolarHBondContact CB-O 3.09Å; A97-L150 HydrophobicContact CB-CD2 3.86Å; A97-Q179 PolarHBondContact O-NE2 3.34Å; A97-W293 VanDerWaalsContact CB-O 3.28Å; A97-W293 WeakPolarHBondContact CB-O 3.26Å | ||
| 98 | H | 95.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | trans | -82.8 | 126.6 | 165.5 | -75.3 | -102.6 | 0 | 0 | 0 | 109.9 | H94 T132 R146 G149 W224 P295 | H94-H98 AromaticContact CE1-CD2 3.73Å; H94-H98 AromaticContact CE1-NE2 3.75Å; H94-H98 AromaticContact ND1-CD2 3.98Å; H94-H98 AromaticContact NE2-CD2 3.84Å; H98-T132 PolarHBondContact NE2-OG1 2.89Å; H98-R146 HydrophobicContact CB-CG 4.07Å; H98-G149 PolarHBondContact N-O 2.83Å; H98-W224 AromaticContact CE1-CZ2 3.85Å; H98-W224 AromaticContact ND1-CH2 3.84Å; H98-W224 AromaticContact ND1-CZ2 3.71Å; H98-P295 WeakPolarHBondContact O-CA 3.33Å | ||
| 99 | T | 94 | Very high | 90.1 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | trans | -89.3 | -25.2 | -178.1 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | W293 G296 A298 W300 | T99-W293 HydrophobicContact CG2-CB 3.75Å; T99-W293 HydrophobicContact CG2-CD2 4.14Å; T99-W293 HydrophobicContact CG2-CE3 4.13Å; T99-W293 HydrophobicContact CG2-CG 4Å; T99-G296 WeakPolarHBondContact O-CA 3.32Å; T99-G296 PolarHBondContact O-N 2.87Å; T99-A298 HydrophobicContact CG2-CB 4.24Å; T99-A298 WeakPolarHBondContact OG1-CB 3.35Å; T99-W300 HydrophobicContact CG2-CH2 4.14Å; T99-W300 HydrophobicContact CG2-CZ2 4.04Å | ||
| 100 | G | 91.9 | Very high | 91.9 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | trans | 69.3 | -170.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 101 | V | 92 | Very high | 93.4 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | trans | -136.5 | 139.5 | -174.7 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | L301 A303 | V101-L301 HydrophobicContact CG1-CD2 3.47Å; V101-L301 VanDerWaalsContact CG1-CD2 3.47Å; V101-L301 HydrophobicContact CG1-CG 3.68Å; V101-A303 HydrophobicContact CB-CB 4.16Å; V101-A303 HydrophobicContact CG2-CB 3.66Å | ||
| 102 | R | 91.5 | Very high | 94 | Very high | 136 Ų | 136 | 54.9 Ų | 54.9 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 132 | 172.8 | -171 | 173.2 | 70.4 | 174.1 | 7.6 | 110.4 | M104 V302 A303 | R102-M104 HydrophobicContact CB-CE 4.49Å; R102-M104 HydrophobicContact CG-CE 4.01Å; R102-V302 HydrophobicContact CB-CG1 4.45Å; R102-V302 CarbonylContact O-C 3.5Å; R102-V302 VanDerWaalsContact O-CA 3.31Å; R102-V302 WeakPolarHBondContact O-CA 3.48Å; R102-A303 PolarHBondContact O-N 2.69Å |
| 103 | K | 92 | Very high | 94.1 | Very high | 129 Ų | 129 | 54.1 Ų | 54.1 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.1 | -179.5 | -58.9 | 176.4 | -175.1 | 177.3 | 0 | 110.4 | D63 A303 | D63-K103 IonicContact OD1-NZ 2.71Å; K103-A303 CarbonylContact C-O 3.58Å; K103-A303 WeakPolarHBondContact CA-O 3.45Å |
| 104 | M | 93.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -88 | 129.3 | 168.7 | -62.3 | -64.4 | 98.5 | 0 | 0 | 109.1 | R102 A109 L110 W113 V302 A303 W304 | R102-M104 HydrophobicContact CB-CE 4.49Å; R102-M104 HydrophobicContact CG-CE 4.01Å; M104-A109 HydrophobicContact SD-CB 4.24Å; M104-L110 HydrophobicContact CB-CB 4.49Å; M104-L110 HydrophobicContact CG-CB 4.26Å; M104-L110 HydrophobicContact CG-CD1 4.25Å; M104-W113 HydrophobicContact SD-CB 4.28Å; M104-V302 HydrophobicContact CE-CB 4.05Å; M104-V302 HydrophobicContact CE-CG1 3.66Å; M104-V302 HydrophobicContact CG-CB 3.89Å; M104-V302 HydrophobicContact CG-CG1 4.43Å; M104-V302 HydrophobicContact CG-CG2 4.03Å; M104-V302 HydrophobicContact SD-CB 4.33Å; M104-V302 HydrophobicContact SD-CG1 4.23Å; M104-A303 PolarHBondContact N-O 3.12Å; M104-W304 HydrophobicContact CB-CB 4.41Å |
| 105 | V | 86.4 | Confident | 94 | Very high | 119 Ų | 119 | 58.2 Ų | 58.2 | 72% | 0.721 | 30% | 0.298 | S | S | * | . | trans | -70.7 | -37.8 | -179.5 | -66.6 | 0 | 0 | 0 | 0 | 112 | A109 | V105-A109 HydrophobicContact CG2-CB 3.87Š| ||
| 106 | D | 89.3 | Confident | 93.6 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -155 | -177.3 | -176.3 | 65.9 | 22.6 | 0 | 0 | 0 | 112.1 | N108 A109 L110 | D106-N108 VanDerWaalsContact C-N 3.3Å; D106-N108 PolarHBondContact O-N 2.79Å; D106-N108 WeakPolarHBondContact OD1-CA 3.49Å; D106-N108 WeakPolarHBondContact OD1-CB 3.32Å; D106-N108 PolarHBondContact OD1-N 2.9Å; D106-A109 WeakPolarHBondContact OD1-CB 3.34Å; D106-A109 PolarHBondContact OD1-N 3.35Å; D106-L110 PolarHBondContact O-N 2.84Å |
| 107 | K | 95.1 | Very high | 93.4 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -31.1 | 177.7 | -173.2 | -177.3 | 170.9 | -167.3 | 0 | 112.8 | L110 S111 A258 D259 A262 W304 | K107-L110 PolarHBondContact O-N 2.91Å; K107-S111 WeakPolarHBondContact O-CB 3.38Å; K107-S111 PolarHBondContact O-N 2.8Å; K107-S111 PolarHBondContact O-OG 3.21Å; K107-A258 HydrophobicContact CG-CB 4.15Å; K107-D259 WeakPolarHBondContact CE-OD1 3.16Å; K107-D259 IonicContact NZ-OD1 3.96Å; K107-D259 PolarHBondContact NZ-OD1 3.25Å; K107-A262 HydrophobicContact CD-CB 4.4Å; K107-W304 HydrophobicContact CB-CH2 3.68Å; K107-W304 HydrophobicContact CB-CZ2 3.77Å; K107-W304 HydrophobicContact CD-CH2 4.44Å; K107-W304 HydrophobicContact CG-CH2 3.94Å |
| 108 | N | 95.5 | Very high | 93.2 | Very high | 106 Ų | 106 | 71.1 Ų | 71.1 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.8 | -45.3 | -178.4 | -70.5 | -22.4 | 0 | 0 | 0 | 110.5 | D106 L110 S111 L112 | D106-N108 VanDerWaalsContact C-N 3.3Å; D106-N108 PolarHBondContact O-N 2.79Å; D106-N108 WeakPolarHBondContact OD1-CA 3.49Å; D106-N108 WeakPolarHBondContact OD1-CB 3.32Å; D106-N108 PolarHBondContact OD1-N 2.9Å; N108-L110 VanDerWaalsContact C-N 3.3Å; N108-L110 PolarHBondContact O-N 3.25Å; N108-S111 WeakPolarHBondContact O-CB 3.36Å; N108-S111 PolarHBondContact O-N 2.99Å; N108-S111 VanDerWaalsContact O-N 3.14Å; N108-L112 WeakPolarHBondContact O-CG 3.31Å; N108-L112 PolarHBondContact O-N 2.83Å |
| 109 | A | 95.2 | Very high | 93.2 | Very high | 28 Ų | 28 | 75 Ų | 75 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.8 | -43.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M104 V105 D106 L112 W113 | M104-A109 HydrophobicContact SD-CB 4.24Å; V105-A109 HydrophobicContact CG2-CB 3.87Å; D106-A109 WeakPolarHBondContact OD1-CB 3.34Å; D106-A109 PolarHBondContact OD1-N 3.35Å; A109-L112 PolarHBondContact O-N 2.98Å; A109-W113 PolarHBondContact O-N 3.28Å |
| 110 | L | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 173.7 | 178.6 | 65.6 | 0 | 0 | 0 | 111.6 | M104 D106 K107 N108 L112 W113 M114 A258 V261 V282 V302 W304 | M104-L110 HydrophobicContact CB-CB 4.49Å; M104-L110 HydrophobicContact CG-CB 4.26Å; M104-L110 HydrophobicContact CG-CD1 4.25Å; D106-L110 PolarHBondContact O-N 2.84Å; K107-L110 PolarHBondContact O-N 2.91Å; N108-L110 VanDerWaalsContact C-N 3.3Å; N108-L110 PolarHBondContact O-N 3.25Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L110-L112 PolarHBondContact O-N 3.28Å; L110-W113 HydrophobicContact CD1-CE3 4.08Å; L110-W113 PolarHBondContact O-N 3.11Å; L110-W113 VanDerWaalsContact O-N 3.15Å; L110-M114 HydrophobicContact CD1-CG 4.17Å; L110-M114 HydrophobicContact CD1-SD 4.15Å; L110-M114 HydrophobicContact CD2-SD 4.32Å; L110-M114 HydrophobicContact CG-CG 4.33Å; L110-M114 HydrophobicContact CG-SD 3.89Å; L110-M114 VanDerWaalsContact O-CG 3.29Å; L110-M114 WeakPolarHBondContact O-CG 3.49Å; L110-M114 PolarHBondContact O-N 3.23Å; L110-A258 HydrophobicContact CD2-CB 4.2Å; L110-A258 HydrophobicContact CG-CB 4.3Å; L110-V261 HydrophobicContact CD2-CB 3.86Å; L110-V261 HydrophobicContact CD2-CG1 3.62Å; L110-V261 HydrophobicContact CD2-CG2 4.25Å; L110-V282 HydrophobicContact CD1-CB 4.41Å; L110-V282 HydrophobicContact CD1-CG2 4.07Å; L110-V302 HydrophobicContact CD1-CG2 3.82Å; L110-W304 HydrophobicContact CD2-CD2 4.3Å; L110-W304 HydrophobicContact CD2-CE3 3.53Å; L110-W304 HydrophobicContact CD2-CZ3 3.89Å |
| 111 | S | 97.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 75.1 Ų | 75.1 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.8 | -43.6 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | K107 N108 M114 R115 A258 | K107-S111 WeakPolarHBondContact O-CB 3.38Å; K107-S111 PolarHBondContact O-N 2.8Å; K107-S111 PolarHBondContact O-OG 3.21Å; N108-S111 WeakPolarHBondContact O-CB 3.36Å; N108-S111 PolarHBondContact O-N 2.99Å; N108-S111 VanDerWaalsContact O-N 3.14Å; S111-M114 PolarHBondContact O-N 3.09Å; S111-R115 WeakPolarHBondContact O-CG 3.33Å; S111-R115 PolarHBondContact O-N 3.47Å; S111-A258 WeakPolarHBondContact OG-CB 3.34Å |
| 112 | L | 95.8 | Very high | 94 | Very high | 103 Ų | 103 | 72.3 Ų | 72.3 | 54% | 0.539 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 176 | -71.9 | 168.5 | 0 | 0 | 0 | 111.6 | N108 A109 L110 M114 R115 | N108-L112 WeakPolarHBondContact O-CG 3.31Å; N108-L112 PolarHBondContact O-N 2.83Å; A109-L112 PolarHBondContact O-N 2.98Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L110-L112 PolarHBondContact O-N 3.28Å; L112-M114 VanDerWaalsContact C-N 3.28Å; L112-M114 PolarHBondContact O-N 3.41Å; L112-R115 PolarHBondContact O-N 3.38Å |
| 113 | W | 95.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 5% | 0.045 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 177.2 | 177.6 | 79 | 0 | 0 | 0 | 112.8 | M104 A109 L110 R117 L120 V282 E299 V302 | M104-W113 HydrophobicContact SD-CB 4.28Å; A109-W113 PolarHBondContact O-N 3.28Å; L110-W113 HydrophobicContact CD1-CE3 4.08Å; L110-W113 PolarHBondContact O-N 3.11Å; L110-W113 VanDerWaalsContact O-N 3.15Å; W113-R117 WeakPolarHBondContact O-CD 3.28Å; W113-R117 PolarHBondContact O-NH1 3.43Å; W113-L120 HydrophobicContact CH2-CD2 4.04Å; W113-L120 HydrophobicContact CZ3-CD1 4.49Å; W113-L120 HydrophobicContact CZ3-CD2 4.09Å; W113-V282 HydrophobicContact CH2-CG1 4.29Å; W113-V282 HydrophobicContact CZ3-CB 4.15Å; W113-V282 HydrophobicContact CZ3-CG1 3.73Å; W113-E299 PolarHBondContact NE1-O 3.38Å; W113-V302 HydrophobicContact CD2-CB 4.46Å; W113-V302 HydrophobicContact CD2-CG1 3.76Å; W113-V302 HydrophobicContact CD2-CG2 3.81Å; W113-V302 VanDerWaalsContact CE2-CG1 3.5Å; W113-V302 HydrophobicContact CE3-CG1 4.46Å; W113-V302 HydrophobicContact CE3-CG2 3.65Å; W113-V302 HydrophobicContact CG-CG1 3.97Å; W113-V302 HydrophobicContact CH2-CG2 4Å; W113-V302 HydrophobicContact CZ2-CG1 3.99Å; W113-V302 HydrophobicContact CZ2-CG2 4.15Å; W113-V302 HydrophobicContact CZ3-CG2 3.76Å |
| 114 | M | 96.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.9 | -21.7 | 179.9 | -66.1 | 179.1 | 79.7 | 0 | 0 | 114 | L110 S111 L112 E116 R117 L120 V255 N257 A258 V261 | L110-M114 HydrophobicContact CD1-CG 4.17Å; L110-M114 HydrophobicContact CD1-SD 4.15Å; L110-M114 HydrophobicContact CD2-SD 4.32Å; L110-M114 HydrophobicContact CG-CG 4.33Å; L110-M114 HydrophobicContact CG-SD 3.89Å; L110-M114 VanDerWaalsContact O-CG 3.29Å; L110-M114 WeakPolarHBondContact O-CG 3.49Å; L110-M114 PolarHBondContact O-N 3.23Å; S111-M114 PolarHBondContact O-N 3.09Å; L112-M114 VanDerWaalsContact C-N 3.28Å; L112-M114 PolarHBondContact O-N 3.41Å; M114-E116 VanDerWaalsContact C-N 3.26Å; M114-E116 PolarHBondContact O-N 3.22Å; M114-E116 VanDerWaalsContact O-N 3.16Å; M114-R117 PolarHBondContact O-N 2.97Å; M114-R117 VanDerWaalsContact O-N 3.07Å; M114-R117 VanDerWaalsContact O-O 3.12Å; M114-L120 HydrophobicContact CB-CD1 3.96Å; M114-L120 HydrophobicContact CE-CB 4.46Å; M114-L120 HydrophobicContact CE-CD1 3.35Å; M114-L120 HydrophobicContact CG-CD1 3.77Å; M114-L120 HydrophobicContact SD-CD1 4.4Å; M114-V255 HydrophobicContact CE-CG2 4.46Å; M114-N257 VanDerWaalsContact CE-CA 3.48Å; M114-A258 HydrophobicContact SD-CB 4Å; M114-A258 PolarHBondContact SD-N 3.4Å; M114-A258 VanDerWaalsContact SD-N 3.43Å; M114-V261 HydrophobicContact CE-CG2 3.94Å; M114-V261 HydrophobicContact SD-CG2 4.09Å |
| 115 | R | 93.1 | Very high | 94.7 | Very high | 198 Ų | 198 | 60.9 Ų | 60.9 | 75% | 0.747 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34 | -172.3 | -81.8 | 177.7 | -176.3 | -177.6 | 0.4 | 114.7 | S111 L112 | S111-R115 WeakPolarHBondContact O-CG 3.33Å; S111-R115 PolarHBondContact O-N 3.47Å; L112-R115 PolarHBondContact O-N 3.38Å |
| 116 | E | 87 | Confident | 95.2 | Very high | 177 Ų | 177 | 55.6 Ų | 55.6 | 83% | 0.827 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 14.5 | -176.5 | -61.6 | -178.9 | 166.8 | 0 | 0 | 112.5 | M114 | M114-E116 VanDerWaalsContact C-N 3.26Å; M114-E116 PolarHBondContact O-N 3.22Å; M114-E116 VanDerWaalsContact O-N 3.16Å |
| 117 | R | 93.1 | Very high | 95.3 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | trans | -131.1 | 140.6 | -172.6 | -65.1 | 172.6 | 175.3 | 62.9 | 9.2 | 110.7 | W113 M114 L120 E299 | W113-R117 WeakPolarHBondContact O-CD 3.28Å; W113-R117 PolarHBondContact O-NH1 3.43Å; M114-R117 PolarHBondContact O-N 2.97Å; M114-R117 VanDerWaalsContact O-N 3.07Å; M114-R117 VanDerWaalsContact O-O 3.12Å; R117-L120 HydrophobicContact CB-CD1 4.22Å; R117-L120 HydrophobicContact CB-CD2 3.84Å; R117-L120 HydrophobicContact CB-CG 4.34Å; R117-E299 PolarHBondContact NH2-O 2.9Å | ||
| 118 | S | 91.7 | Very high | 95.3 | Very high | 105 Ų | 105 | 49.1 Ų | 49.1 | 73% | 0.734 | 25% | 0.246 | S | C | * | . | trans | -122.2 | 167.3 | 172.7 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 119 | D | 95.6 | Very high | 95.2 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 55 | 62.8 | 180 | -165.2 | 10.6 | 0 | 0 | 0 | 112.2 | W121 A285 | D119-W121 PolarHBondContact OD1-NE1 3.29Å; D119-A285 HydrophobicContact CB-CB 4.06Å; D119-A285 VanDerWaalsContact CG-CB 3.41Å; D119-A285 WeakPolarHBondContact O-CB 3.44Å; D119-A285 PolarHBondContact O-N 3.25Å; D119-A285 WeakPolarHBondContact OD2-CB 3.34Å |
| 120 | L | 97.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 143.7 | -176.1 | -63.6 | 174.6 | 0 | 0 | 0 | 110.5 | W113 M114 R117 V255 V282 R283 | W113-L120 HydrophobicContact CH2-CD2 4.04Å; W113-L120 HydrophobicContact CZ3-CD1 4.49Å; W113-L120 HydrophobicContact CZ3-CD2 4.09Å; M114-L120 HydrophobicContact CB-CD1 3.96Å; M114-L120 HydrophobicContact CE-CB 4.46Å; M114-L120 HydrophobicContact CE-CD1 3.35Å; M114-L120 HydrophobicContact CG-CD1 3.77Å; M114-L120 HydrophobicContact SD-CD1 4.4Å; R117-L120 HydrophobicContact CB-CD1 4.22Å; R117-L120 HydrophobicContact CB-CD2 3.84Å; R117-L120 HydrophobicContact CB-CG 4.34Å; L120-V255 HydrophobicContact CB-CG2 4Å; L120-V255 WeakPolarHBondContact O-CG2 3.48Å; L120-V255 PolarHBondContact O-N 3.16Å; L120-V282 HydrophobicContact CB-CG1 4.47Å; L120-R283 WeakPolarHBondContact CA-O 3.35Å |
| 121 | W | 98.2 | Very high | 95.3 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.2 | -177.8 | -61.5 | 79.8 | 0 | 0 | 0 | 109.9 | D119 M233 T234 L237 T252 R253 A254 V282 R283 | D119-W121 PolarHBondContact OD1-NE1 3.29Å; W121-M233 HydrophobicContact CD2-CB 3.98Å; W121-M233 HydrophobicContact CD2-CG 3.51Å; W121-M233 VanDerWaalsContact CE2-CB 3.45Å; W121-M233 HydrophobicContact CE3-CG 3.84Å; W121-M233 HydrophobicContact CG-CB 4.43Å; W121-M233 HydrophobicContact CG-CE 4.42Å; W121-M233 HydrophobicContact CG-CG 3.91Å; W121-M233 HydrophobicContact CH2-CB 4.2Å; W121-M233 HydrophobicContact CH2-CG 4.18Å; W121-M233 HydrophobicContact CZ2-CB 3.61Å; W121-M233 HydrophobicContact CZ2-CG 3.93Å; W121-M233 HydrophobicContact CZ3-CG 4.14Å; W121-T234 HydrophobicContact CH2-CG2 3.9Å; W121-T234 HydrophobicContact CZ2-CG2 4.44Å; W121-L237 HydrophobicContact CZ3-CD1 4.18Å; W121-T252 HydrophobicContact CB-CG2 4.19Å; W121-T252 HydrophobicContact CD2-CG2 4.48Å; W121-T252 HydrophobicContact CE3-CG2 3.83Å; W121-R253 CarbonylContact C-O 3.48Å; W121-R253 WeakPolarHBondContact CA-O 3.49Å; W121-A254 HydrophobicContact CD2-CB 4.29Å; W121-A254 HydrophobicContact CE3-CB 3.97Å; W121-A254 HydrophobicContact CH2-CB 4.01Å; W121-A254 HydrophobicContact CZ2-CB 4.27Å; W121-A254 HydrophobicContact CZ3-CB 3.85Å; W121-V282 CarbonylContact O-C 3.3Å; W121-V282 WeakPolarHBondContact O-CA 3.44Å; W121-R283 HydrophobicContact CB-CG 3.99Å; W121-R283 PolarHBondContact N-O 3Å; W121-R283 PolarHBondContact O-N 2.98Å |
| 122 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 139.5 | 177.2 | 69.4 | 0 | 0 | 0 | 0 | 110.3 | T252 R253 V255 V261 V264 W268 V280 V281 V282 | V122-T252 WeakPolarHBondContact O-CA 3.47Å; V122-R253 HydrophobicContact CG1-CB 3.95Å; V122-R253 PolarHBondContact N-O 3.22Å; V122-R253 PolarHBondContact O-N 3.49Å; V122-V255 HydrophobicContact CB-CG1 4.11Å; V122-V255 HydrophobicContact CB-CG2 4.2Å; V122-V255 HydrophobicContact CG1-CG1 3.56Å; V122-V255 HydrophobicContact CG1-CG2 4.48Å; V122-V261 HydrophobicContact CG2-CG1 4.2Å; V122-V264 HydrophobicContact CG1-CB 4.11Å; V122-V264 HydrophobicContact CG1-CG1 3.77Å; V122-V264 HydrophobicContact CG1-CG2 4.19Å; V122-W268 HydrophobicContact CG1-CH2 4.25Å; V122-W268 HydrophobicContact CG2-CZ3 4.11Å; V122-V280 HydrophobicContact CG2-CB 3.79Å; V122-V280 HydrophobicContact CG2-CG1 4.18Å; V122-V280 HydrophobicContact CG2-CG2 4.17Å; V122-V281 CarbonylContact C-O 3.53Å; V122-V281 WeakPolarHBondContact CA-O 3.38Å; V122-V282 HydrophobicContact CG2-CG2 4.26Å |
| 123 | Q | 98.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152 | 177.7 | -67.9 | -179.6 | -43.4 | 0 | 0 | 109.7 | F222 T252 V280 V281 | Q123-F222 HydrophobicContact CB-CE1 4.48Å; Q123-F222 HydrophobicContact CB-CZ 4.44Å; Q123-T252 HydrophobicContact CG-CG2 3.85Å; Q123-T252 WeakPolarHBondContact CG-OG1 3.46Å; Q123-T252 PolarHBondContact NE2-OG1 3.49Å; Q123-V280 CarbonylContact O-C 3.57Å; Q123-V280 WeakPolarHBondContact O-CA 3.4Å; Q123-V281 PolarHBondContact N-O 3.26Å; Q123-V281 PolarHBondContact O-N 2.9Å |
| 124 | P | 97.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 139.4 | 171.5 | 28 | -33.7 | 0 | 0 | 0 | 108.9 | V126 F222 Y251 W268 F275 T277 | P124-V126 VanDerWaalsContact C-N 3.34Å; P124-V126 HydrophobicContact CG-CG2 4.31Å; P124-V126 PolarHBondContact O-N 3.16Å; P124-V126 VanDerWaalsContact O-N 3.08Å; P124-F222 HydrophobicContact CG-CE2 4.25Å; P124-F222 HydrophobicContact CG-CZ 4.22Å; P124-Y251 WeakPolarHBondContact CD-O 3.07Å; P124-Y251 HydrophobicContact CG-CG 4.38Å; P124-W268 HydrophobicContact CB-CD2 4.41Å; P124-W268 HydrophobicContact CB-CE3 3.97Å; P124-W268 HydrophobicContact CB-CZ3 4.12Å; P124-F275 HydrophobicContact CB-CE2 3.98Å; P124-F275 HydrophobicContact CB-CZ 4.38Å; P124-F275 HydrophobicContact CG-CE2 3.95Å; P124-F275 HydrophobicContact CG-CZ 3.84Å; P124-T277 HydrophobicContact CB-CG2 3.87Å |
| 125 | K | 96.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 88.7 | 170.3 | -163.2 | 178.7 | 168 | -62.6 | 0 | 107.8 | D127 T277 D278 G279 V281 A303 | K125-D127 PolarHBondContact O-N 3.43Å; K125-T277 CarbonylContact O-C 3.56Å; K125-T277 VanDerWaalsContact O-CA 3.25Å; K125-T277 WeakPolarHBondContact O-CA 3.3Å; K125-T277 WeakPolarHBondContact O-CB 3.39Å; K125-D278 WeakPolarHBondContact CB-OD1 3.36Å; K125-D278 WeakPolarHBondContact CD-OD1 3.45Å; K125-D278 WeakPolarHBondContact CG-OD1 3.47Å; K125-D278 IonicContact NZ-OD1 3.11Å; K125-D278 PolarHBondContact NZ-OD1 2.82Å; K125-D278 IonicContact NZ-OD2 3.82Å; K125-D278 PolarHBondContact NZ-OD2 2.92Å; K125-D278 PolarHBondContact O-N 2.58Å; K125-G279 WeakPolarHBondContact CB-O 3.3Å; K125-G279 PolarHBondContact N-O 3.48Å; K125-V281 HydrophobicContact CB-CG2 3.89Å; K125-V281 HydrophobicContact CD-CG2 4.18Å; K125-V281 HydrophobicContact CG-CG2 3.75Å; K125-A303 HydrophobicContact CD-CB 3.93Å |
| 126 | V | 96.5 | Very high | 95.9 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 131.7 | -179.1 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | P124 G128 E181 F183 F222 F275 | P124-V126 VanDerWaalsContact C-N 3.34Å; P124-V126 HydrophobicContact CG-CG2 4.31Å; P124-V126 PolarHBondContact O-N 3.16Å; P124-V126 VanDerWaalsContact O-N 3.08Å; V126-G128 PolarHBondContact O-N 2.87Å; V126-E181 HydrophobicContact CB-CB 4.41Å; V126-E181 HydrophobicContact CB-CG 4.45Å; V126-E181 HydrophobicContact CG1-CG 4.43Å; V126-F183 HydrophobicContact CG1-CB 3.49Å; V126-F183 VanDerWaalsContact CG1-CB 3.49Å; V126-F183 HydrophobicContact CG1-CD1 3.66Å; V126-F183 HydrophobicContact CG1-CD2 4.48Å; V126-F183 HydrophobicContact CG1-CG 3.63Å; V126-F222 HydrophobicContact CG2-CB 3.94Å; V126-F222 HydrophobicContact CG2-CD1 4.09Å; V126-F222 HydrophobicContact CG2-CD2 4.09Å; V126-F222 HydrophobicContact CG2-CG 3.76Å; V126-F275 HydrophobicContact CG1-CB 4.33Å; V126-F275 HydrophobicContact CG1-CD2 4.27Å; V126-F275 HydrophobicContact CG1-CG 4.16Å; V126-F275 HydrophobicContact CG2-CD2 4Å; V126-F275 HydrophobicContact CG2-CE1 4.32Å; V126-F275 HydrophobicContact CG2-CE2 3.81Å; V126-F275 HydrophobicContact CG2-CG 4.38Å; V126-F275 HydrophobicContact CG2-CZ 3.98Å |
| 127 | D | 91.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | trans | -90 | 94.7 | -179.8 | -169.1 | 42.2 | 0 | 0 | 0 | 111.3 | K125 R200 V276 | K125-D127 PolarHBondContact O-N 3.43Å; D127-R200 WeakPolarHBondContact OD1-CB 3.2Å; D127-R200 IonicContact OD1-CZ 3.22Å; D127-R200 IonicContact OD1-NE 3.56Å; D127-R200 IonicContact OD1-NH1 2.75Å; D127-R200 PolarHBondContact OD1-NH1 3.43Å; D127-R200 IonicContact OD1-NH2 3.03Å; D127-R200 PolarHBondContact OD1-NH2 2.79Å; D127-R200 VanDerWaalsContact OD1-NH2 3.15Å; D127-R200 PolarHBondContact OD2-N 3.03Å; D127-V276 HydrophobicContact CB-CB 4.14Å; D127-V276 HydrophobicContact CB-CG1 3.99Å; D127-V276 PolarHBondContact N-O 3.21Å | ||
| 128 | G | 93.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | -148.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V126 I182 R200 | V126-G128 PolarHBondContact O-N 2.87Å; G128-I182 CarbonylContact C-O 3.59Å; G128-I182 WeakPolarHBondContact CA-O 3.46Å; G128-R200 VanDerWaalsContact O-CG 3.25Å; G128-R200 WeakPolarHBondContact O-CG 3.25Å; G128-R200 PolarHBondContact O-NE 3.2Å |
| 129 | V | 93.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 7% | 0.073 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.3 | 174.1 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | W155 E181 I182 R200 V203 A204 M207 | V129-W155 HydrophobicContact CB-CH2 4.33Å; V129-W155 HydrophobicContact CB-CZ3 4.45Å; V129-W155 HydrophobicContact CG2-CH2 3.89Å; V129-W155 HydrophobicContact CG2-CZ3 3.72Å; V129-E181 PolarHBondContact N-OE1 2.72Å; V129-E181 WeakPolarHBondContact O-CA 3.45Å; V129-I182 HydrophobicContact CG2-CB 4.03Å; V129-I182 PolarHBondContact N-O 2.76Å; V129-I182 PolarHBondContact O-N 3Å; V129-R200 HydrophobicContact CG1-CG 4.35Å; V129-V203 HydrophobicContact CG1-CB 4.45Å; V129-V203 HydrophobicContact CG1-CG1 4.46Å; V129-V203 HydrophobicContact CG2-CB 4.39Å; V129-V203 HydrophobicContact CG2-CG1 3.55Å; V129-A204 HydrophobicContact CG1-CB 3.79Å; V129-M207 HydrophobicContact CG2-CG 4.43Å |
| 130 | A | 96.5 | Very high | 97 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 140.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | R146 G180 E181 | A130-R146 HydrophobicContact CB-CB 3.92Å; A130-R146 HydrophobicContact CB-CG 4.34Å; A130-R146 PolarHBondContact O-N 3.07Å; A130-G180 CarbonylContact C-O 3.53Å; A130-G180 WeakPolarHBondContact CA-O 3.4Å; A130-E181 WeakPolarHBondContact CA-OE2 3.45Å; A130-E181 WeakPolarHBondContact CB-OE2 3.48Å; A130-E181 PolarHBondContact N-OE2 3.13Å |
| 131 | V | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.9 | 179.5 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | L133 A143 I144 V159 Q179 G180 I182 V221 | V131-L133 HydrophobicContact CG1-CD2 4.19Å; V131-L133 HydrophobicContact CG1-CG 4.36Å; V131-L133 HydrophobicContact CG2-CD2 3.92Å; V131-A143 HydrophobicContact CG2-CB 4.25Å; V131-I144 CarbonylContact C-O 3.54Å; V131-I144 WeakPolarHBondContact CA-O 3.02Å; V131-V159 HydrophobicContact CG2-CG2 4.44Å; V131-Q179 WeakPolarHBondContact O-CA 3.42Å; V131-G180 PolarHBondContact N-O 3.16Å; V131-G180 PolarHBondContact O-N 2.95Å; V131-I182 HydrophobicContact CB-CD1 3.9Å; V131-I182 HydrophobicContact CB-CG1 3.97Å; V131-I182 HydrophobicContact CG1-CD1 4.07Å; V131-I182 HydrophobicContact CG1-CG1 3.66Å; V131-I182 HydrophobicContact CG2-CD1 4.03Å; V131-V221 HydrophobicContact CG1-CG2 4.34Å |
| 132 | T | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.1 | 163.3 | -60.4 | 0 | 0 | 0 | 0 | 108.9 | H94 H98 V134 A143 I144 T177 L178 | H94-T132 PolarHBondContact CE1-OG1 2.99Å; H94-T132 WeakPolarHBondContact ND1-CB 3.27Å; H94-T132 PolarHBondContact ND1-OG1 2.93Å; H98-T132 PolarHBondContact NE2-OG1 2.89Å; T132-V134 HydrophobicContact CG2-CG2 4.03Å; T132-A143 CarbonylContact O-C 3.57Å; T132-A143 VanDerWaalsContact O-CA 3.23Å; T132-A143 WeakPolarHBondContact O-CA 3.06Å; T132-I144 PolarHBondContact N-O 2.94Å; T132-I144 PolarHBondContact O-N 2.83Å; T132-T177 HydrophobicContact CG2-CG2 3.57Å; T132-L178 CarbonylContact C-O 3.44Å; T132-L178 WeakPolarHBondContact CA-O 3.47Å |
| 133 | L | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.8 | 171.5 | -51.6 | 177.4 | 0 | 0 | 0 | 108.5 | V131 Y135 L140 A143 V159 V165 T177 L178 V221 F245 | V131-L133 HydrophobicContact CG1-CD2 4.19Å; V131-L133 HydrophobicContact CG1-CG 4.36Å; V131-L133 HydrophobicContact CG2-CD2 3.92Å; L133-Y135 HydrophobicContact CB-CE2 4.01Å; L133-L140 HydrophobicContact CB-CD1 4.15Å; L133-L140 HydrophobicContact CD2-CD1 4.3Å; L133-A143 HydrophobicContact CD2-CB 3.97Å; L133-V159 HydrophobicContact CD2-CG1 3.68Å; L133-V165 HydrophobicContact CD1-CG1 4.22Å; L133-T177 WeakPolarHBondContact O-CA 3.08Å; L133-L178 HydrophobicContact CB-CB 4.29Å; L133-L178 PolarHBondContact N-O 3.43Å; L133-L178 PolarHBondContact O-N 3.36Å; L133-V221 HydrophobicContact CD1-CG2 4.47Å; L133-F245 HydrophobicContact CD1-CE1 4.23Å; L133-F245 HydrophobicContact CD1-CZ 4.16Å |
| 134 | V | 98.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.9 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | P95 T132 R136 N141 K142 | P95-V134 HydrophobicContact CG-CG2 3.79Å; T132-V134 HydrophobicContact CG2-CG2 4.03Å; V134-R136 HydrophobicContact CG1-CG 4.34Å; V134-N141 WeakPolarHBondContact O-CB 3.29Å; V134-N141 PolarHBondContact O-N 3.36Å; V134-K142 HydrophobicContact CB-CB 4.15Å; V134-K142 HydrophobicContact CG2-CB 4.25Å; V134-K142 PolarHBondContact N-O 2.81Å; V134-K142 PolarHBondContact O-N 2.92Å |
| 135 | Y | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.2 | 172.3 | -71 | -90 | 0 | 0 | 0 | 109.8 | L133 K139 L140 P166 V169 L173 A174 N175 S176 L178 F245 | L133-Y135 HydrophobicContact CB-CE2 4.01Å; Y135-K139 VanDerWaalsContact CA-O 3.29Å; Y135-K139 WeakPolarHBondContact CA-O 3.49Å; Y135-L140 HydrophobicContact CD1-CB 4.31Å; Y135-L140 HydrophobicContact CE1-CB 3.85Å; Y135-L140 HydrophobicContact CE1-CD1 4.3Å; Y135-L140 HydrophobicContact CE2-CD1 4.26Å; Y135-P166 VanDerWaalsContact CE1-O 3.3Å; Y135-P166 WeakPolarHBondContact CE1-O 3.18Å; Y135-P166 PolarHBondContact OH-O 2.87Å; Y135-V169 HydrophobicContact CD1-CB 4.29Å; Y135-V169 HydrophobicContact CD1-CG1 4.02Å; Y135-V169 HydrophobicContact CD1-CG2 3.35Å; Y135-V169 HydrophobicContact CD2-CG2 4.41Å; Y135-V169 HydrophobicContact CE1-CB 4.37Å; Y135-V169 HydrophobicContact CE1-CG1 3.62Å; Y135-V169 HydrophobicContact CE1-CG2 3.89Å; Y135-V169 HydrophobicContact CG-CG2 3.65Å; Y135-L173 WeakPolarHBondContact CB-O 3.36Å; Y135-A174 CarbonylContact C-O 3.55Å; Y135-N175 WeakPolarHBondContact O-CA 3.38Å; Y135-S176 PolarHBondContact N-O 3.15Å; Y135-S176 PolarHBondContact O-N 2.96Å; Y135-L178 HydrophobicContact CD2-CD1 4.33Å; Y135-L178 HydrophobicContact CE2-CD1 3.99Å; Y135-F245 HydrophobicContact CE2-CZ 4.28Å |
| 136 | R | 97.9 | Very high | 96.7 | Very high | 106 Ų | 106 | 35.3 Ų | 35.3 | 40% | 0.4 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.7 | 173.7 | -63 | -65.4 | -176.6 | -151.9 | 0.3 | 108.6 | V134 G138 K139 N141 A174 | V134-R136 HydrophobicContact CG1-CG 4.34Å; R136-G138 PolarHBondContact O-N 2.81Å; R136-G138 VanDerWaalsContact O-N 3.09Å; R136-K139 PolarHBondContact N-O 3.5Å; R136-K139 PolarHBondContact O-N 2.94Å; R136-N141 HydrophobicContact CB-CB 3.93Å; R136-N141 HydrophobicContact CG-CB 3.76Å; R136-A174 CarbonylContact C-O 3.49Å; R136-A174 VanDerWaalsContact C-O 3.3Å; R136-A174 WeakPolarHBondContact CA-O 3.38Å; R136-A174 PolarHBondContact N-O 2.92Å |
| 137 | D | 97.4 | Very high | 96.3 | Very high | 136 Ų | 136 | 35.3 Ų | 35.3 | 73% | 0.727 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 39.7 | -178.2 | -55 | -44.6 | 0 | 0 | 0 | 113.1 | K139 A174 N175 | D137-K139 VanDerWaalsContact C-N 3.31Å; D137-K139 PolarHBondContact O-N 2.81Å; D137-A174 PolarHBondContact N-O 3.47Å; D137-N175 PolarHBondContact N-OD1 3.32Å; D137-N175 VanDerWaalsContact N-OD1 3.08Å |
| 138 | G | 97.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 7.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | R136 T168 V169 A174 | R136-G138 PolarHBondContact O-N 2.81Å; R136-G138 VanDerWaalsContact O-N 3.09Å; G138-T168 CarbonylContact O-C 3.59Å; G138-T168 WeakPolarHBondContact O-CA 3.34Å; G138-V169 WeakPolarHBondContact CA-O 3.23Å; G138-V169 PolarHBondContact O-N 2.72Å; G138-A174 PolarHBondContact N-O 3.36Å |
| 139 | K | 98.2 | Very high | 96 | Very high | 143 Ų | 143 | 38.7 Ų | 38.7 | 62% | 0.622 | 19% | 0.187 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146 | 179.2 | -63.6 | -177.2 | -178.6 | 178.9 | 0 | 111.6 | Y135 R136 D137 N141 Q167 T168 | Y135-K139 VanDerWaalsContact CA-O 3.29Å; Y135-K139 WeakPolarHBondContact CA-O 3.49Å; R136-K139 PolarHBondContact N-O 3.5Å; R136-K139 PolarHBondContact O-N 2.94Å; D137-K139 VanDerWaalsContact C-N 3.31Å; D137-K139 PolarHBondContact O-N 2.81Å; K139-N141 PolarHBondContact O-N 2.88Å; K139-Q167 WeakPolarHBondContact CA-O 3.5Å; K139-T168 HydrophobicContact CG-CG2 4.38Å |
| 140 | L | 98.3 | Very high | 96 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 106.5 | 169.6 | -179.1 | 65.5 | 0 | 0 | 0 | 108.9 | L133 Y135 V159 V165 Q167 | L133-L140 HydrophobicContact CB-CD1 4.15Å; L133-L140 HydrophobicContact CD2-CD1 4.3Å; Y135-L140 HydrophobicContact CD1-CB 4.31Å; Y135-L140 HydrophobicContact CE1-CB 3.85Å; Y135-L140 HydrophobicContact CE1-CD1 4.3Å; Y135-L140 HydrophobicContact CE2-CD1 4.26Å; L140-V159 HydrophobicContact CD2-CG1 4.31Å; L140-V165 HydrophobicContact CD2-CG1 3.98Å; L140-Q167 PolarHBondContact N-O 2.56Å |
| 141 | N | 97.7 | Very high | 95.9 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -42.4 | -176.8 | 177 | -106.2 | 0 | 0 | 0 | 111.8 | V134 R136 K139 | V134-N141 WeakPolarHBondContact O-CB 3.29Å; V134-N141 PolarHBondContact O-N 3.36Å; R136-N141 HydrophobicContact CB-CB 3.93Å; R136-N141 HydrophobicContact CG-CB 3.76Å; K139-N141 PolarHBondContact O-N 2.88Å |
| 142 | K | 97.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 148.7 | 177.8 | -75.5 | -172.5 | 176.4 | -171.3 | 0 | 111.9 | V134 I144 T156 | V134-K142 HydrophobicContact CB-CB 4.15Å; V134-K142 HydrophobicContact CG2-CB 4.25Å; V134-K142 PolarHBondContact N-O 2.81Å; V134-K142 PolarHBondContact O-N 2.92Å; K142-I144 HydrophobicContact CB-CG1 4.41Å; K142-T156 WeakPolarHBondContact CA-OG1 3.32Å |
| 143 | A | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V131 T132 L133 W155 T156 V159 | V131-A143 HydrophobicContact CG2-CB 4.25Å; T132-A143 CarbonylContact O-C 3.57Å; T132-A143 VanDerWaalsContact O-CA 3.23Å; T132-A143 WeakPolarHBondContact O-CA 3.06Å; L133-A143 HydrophobicContact CD2-CB 3.97Å; A143-W155 PolarHBondContact O-N 2.75Å; A143-T156 PolarHBondContact N-OG1 3.08Å; A143-T156 PolarHBondContact O-N 2.71Å; A143-V159 HydrophobicContact CB-CB 3.53Å; A143-V159 HydrophobicContact CB-CG1 3.65Å; A143-V159 HydrophobicContact CB-CG2 3.64Å |
| 144 | I | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 129.2 | -172 | -46 | 167 | 0 | 0 | 0 | 108.9 | V92 H94 V131 T132 K142 E153 | V92-I144 HydrophobicContact CB-CG2 4.12Å; V92-I144 HydrophobicContact CG1-CD1 3.72Å; V92-I144 HydrophobicContact CG1-CG1 3.96Å; V92-I144 HydrophobicContact CG1-CG2 4.25Å; H94-I144 WeakPolarHBondContact CE1-CG2 3.29Å; V131-I144 CarbonylContact C-O 3.54Å; V131-I144 WeakPolarHBondContact CA-O 3.02Å; T132-I144 PolarHBondContact N-O 2.94Å; T132-I144 PolarHBondContact O-N 2.83Å; K142-I144 HydrophobicContact CB-CG1 4.41Å; I144-E153 CarbonylContact C-O 3.54Å; I144-E153 VanDerWaalsContact CA-O 3.31Å; I144-E153 WeakPolarHBondContact CA-O 3.32Å |
| 145 | S | 94.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 159.8 | 171.6 | 84.5 | 0 | 0 | 0 | 0 | 110.8 | H94 G147 G152 E153 W155 | H94-S145 PolarHBondContact CE1-O 2.93Å; H94-S145 PolarHBondContact NE2-O 3.23Å; S145-G147 VanDerWaalsContact C-N 3.33Å; S145-G147 PolarHBondContact O-N 2.84Å; S145-G152 WeakPolarHBondContact O-CA 3.24Å; S145-E153 PolarHBondContact N-O 3.34Å; S145-E153 PolarHBondContact OG-N 3.08Å; S145-W155 VanDerWaalsContact CB-CZ2 3.44Å |
| 146 | R | 93.8 | Very high | 94.8 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | trans | -57.5 | -44.4 | 178.5 | -177.5 | 178.1 | 167.1 | -170.5 | -5.2 | 113.2 | H94 H98 A130 N148 G149 | H94-R146 PolarHBondContact NE2-O 3.13Å; H98-R146 HydrophobicContact CB-CG 4.07Å; A130-R146 HydrophobicContact CB-CB 3.92Å; A130-R146 HydrophobicContact CB-CG 4.34Å; A130-R146 PolarHBondContact O-N 3.07Å; R146-N148 PolarHBondContact O-N 3.09Å; R146-G149 WeakPolarHBondContact O-CA 3.38Å; R146-G149 PolarHBondContact O-N 3.09Å | ||
| 147 | G | 89.8 | Confident | 94.5 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -129.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L88 S145 G149 K151 | L88-G147 WeakPolarHBondContact CD1-O 3.38Å; S145-G147 VanDerWaalsContact C-N 3.33Å; S145-G147 PolarHBondContact O-N 2.84Å; G147-G149 PolarHBondContact O-N 3.27Å; G147-K151 CarbonylContact C-O 3.39Å; G147-K151 VanDerWaalsContact CA-O 3.29Å; G147-K151 WeakPolarHBondContact CA-O 3.32Å |
| 148 | N | 87.1 | Confident | 94.3 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 43% | 0.428 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4.6 | 177.1 | 71.2 | 8.8 | 0 | 0 | 0 | 113.9 | R146 L150 K151 | R146-N148 PolarHBondContact O-N 3.09Å; N148-L150 VanDerWaalsContact C-N 3.31Å; N148-L150 PolarHBondContact O-N 3.36Å; N148-L150 WeakPolarHBondContact OD1-CA 3.37Å; N148-L150 WeakPolarHBondContact OD1-CB 3.35Å; N148-L150 PolarHBondContact OD1-N 3.05Å; N148-K151 PolarHBondContact N-O 2.88Å; N148-K151 PolarHBondContact OD1-N 2.87Å; N148-K151 PolarHBondContact OD1-O 3.17Å |
| 149 | G | 92 | Very high | 94.2 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 86.6 | -16.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A97 H98 R146 G147 | A97-G149 CarbonylContact C-O 3.51Å; A97-G149 WeakPolarHBondContact CA-O 3.04Å; A97-G149 WeakPolarHBondContact CB-O 3.09Å; H98-G149 PolarHBondContact N-O 2.83Å; R146-G149 WeakPolarHBondContact O-CA 3.38Å; R146-G149 PolarHBondContact O-N 3.09Å; G147-G149 PolarHBondContact O-N 3.27Å |
| 150 | L | 93.4 | Very high | 94 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 38% | 0.377 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -100 | -37.1 | 169.2 | -64.2 | 172.5 | 0 | 0 | 0 | 111.6 | H94 A97 N148 L294 P295 | H94-L150 PolarHBondContact N-O 3.12Å; A97-L150 HydrophobicContact CB-CD2 3.86Å; N148-L150 VanDerWaalsContact C-N 3.31Å; N148-L150 PolarHBondContact O-N 3.36Å; N148-L150 WeakPolarHBondContact OD1-CA 3.37Å; N148-L150 WeakPolarHBondContact OD1-CB 3.35Å; N148-L150 PolarHBondContact OD1-N 3.05Å; L150-L294 HydrophobicContact CD2-CD2 4.18Å; L150-P295 HydrophobicContact CD2-CG 4.34Å; L150-P295 HydrophobicContact CG-CG 4.02Å |
| 151 | K | 93.6 | Very high | 93.8 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 40% | 0.404 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.7 | 176.6 | -66.1 | 177 | -179.4 | 177.7 | 0 | 110.5 | V92 M93 G147 N148 | V92-K151 CarbonylContact O-C 3.56Å; V92-K151 WeakPolarHBondContact O-CA 3.32Å; M93-K151 HydrophobicContact CG-CG 4.25Å; M93-K151 HydrophobicContact SD-CD 3.8Å; M93-K151 WeakPolarHBondContact SD-CE 3.26Å; M93-K151 HydrophobicContact SD-CG 3.31Å; M93-K151 WeakPolarHBondContact SD-CG 3.28Å; G147-K151 CarbonylContact C-O 3.39Å; G147-K151 VanDerWaalsContact CA-O 3.29Å; G147-K151 WeakPolarHBondContact CA-O 3.32Å; N148-K151 PolarHBondContact N-O 2.88Å; N148-K151 PolarHBondContact OD1-N 2.87Å; N148-K151 PolarHBondContact OD1-O 3.17Å |
| 152 | G | 93.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -172.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G90 A91 V92 S145 | G90-G152 CarbonylContact C-O 3.59Å; G90-G152 VanDerWaalsContact C-O 3.22Å; G90-G152 WeakPolarHBondContact CA-O 3.29Å; A91-G152 PolarHBondContact N-O 3.49Å; V92-G152 PolarHBondContact N-O 3.03Å; V92-G152 PolarHBondContact O-N 2.94Å; S145-G152 WeakPolarHBondContact O-CA 3.24Å |
| 153 | E | 91.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | trans | -86.9 | 148.5 | 179.4 | -57.7 | -174.6 | 135.5 | 0 | 0 | 110.9 | N89 I144 S145 W155 | N89-E153 WeakPolarHBondContact O-CG 3.46Å; I144-E153 CarbonylContact C-O 3.54Å; I144-E153 VanDerWaalsContact CA-O 3.31Å; I144-E153 WeakPolarHBondContact CA-O 3.32Å; S145-E153 PolarHBondContact N-O 3.34Å; S145-E153 PolarHBondContact OG-N 3.08Å; E153-W155 PolarHBondContact O-N 3.18Å; E153-W155 PolarHBondContact OE2-NE1 3.39Å; E153-W155 VanDerWaalsContact OE2-NE1 3.16Å | ||
| 154 | D | 93.3 | Very high | 93.3 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -75.8 | 112.6 | 171.1 | -162.3 | -33.5 | 0 | 0 | 0 | 109.8 | V92 T156 | V92-D154 HydrophobicContact CG2-CB 4.04Å; D154-T156 WeakPolarHBondContact OD1-CB 3.33Å; D154-T156 PolarHBondContact OD1-N 2.94Å; D154-T156 PolarHBondContact OD1-OG1 3.16Å |
| 155 | W | 94.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 47 Ų | 47 | 8% | 0.076 | 25% | 0.249 | C | C | . | . | trans | -108.9 | 11.5 | 176.2 | -74.7 | -3 | 0 | 0 | 0 | 112.4 | V129 A143 S145 E153 Q157 K158 V159 I182 M207 | V129-W155 HydrophobicContact CB-CH2 4.33Å; V129-W155 HydrophobicContact CB-CZ3 4.45Å; V129-W155 HydrophobicContact CG2-CH2 3.89Å; V129-W155 HydrophobicContact CG2-CZ3 3.72Å; A143-W155 PolarHBondContact O-N 2.75Å; S145-W155 VanDerWaalsContact CB-CZ2 3.44Å; E153-W155 PolarHBondContact O-N 3.18Å; E153-W155 PolarHBondContact OE2-NE1 3.39Å; E153-W155 VanDerWaalsContact OE2-NE1 3.16Å; W155-Q157 VanDerWaalsContact C-N 3.3Å; W155-Q157 PolarHBondContact O-N 3.38Å; W155-K158 PolarHBondContact O-N 2.9Å; W155-V159 HydrophobicContact CB-CG2 3.94Å; W155-V159 WeakPolarHBondContact O-CB 3.45Å; W155-V159 WeakPolarHBondContact O-CG2 3.4Å; W155-V159 PolarHBondContact O-N 2.81Å; W155-I182 HydrophobicContact CE3-CD1 4.29Å; W155-I182 HydrophobicContact CZ3-CD1 4.44Å; W155-M207 HydrophobicContact CB-CE 3.84Å; W155-M207 HydrophobicContact CD2-CB 4.15Å; W155-M207 HydrophobicContact CD2-CE 3.58Å; W155-M207 HydrophobicContact CE3-CB 4.25Å; W155-M207 HydrophobicContact CE3-CE 3.52Å; W155-M207 HydrophobicContact CE3-CG 4.22Å; W155-M207 HydrophobicContact CG-CE 3.79Å; W155-M207 HydrophobicContact CH2-CB 3.71Å; W155-M207 HydrophobicContact CH2-CG 4.11Å; W155-M207 HydrophobicContact CZ2-CB 3.6Å; W155-M207 HydrophobicContact CZ2-CG 4.45Å; W155-M207 HydrophobicContact CZ3-CB 4.05Å; W155-M207 HydrophobicContact CZ3-CE 4.24Å; W155-M207 HydrophobicContact CZ3-CG 4Å | ||
| 156 | T | 94.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.1 | -46 | -172.2 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | K142 A143 D154 K158 V159 S160 | K142-T156 WeakPolarHBondContact CA-OG1 3.32Å; A143-T156 PolarHBondContact N-OG1 3.08Å; A143-T156 PolarHBondContact O-N 2.71Å; D154-T156 WeakPolarHBondContact OD1-CB 3.33Å; D154-T156 PolarHBondContact OD1-N 2.94Å; D154-T156 PolarHBondContact OD1-OG1 3.16Å; T156-K158 VanDerWaalsContact C-N 3.33Å; T156-K158 PolarHBondContact O-N 3.07Å; T156-V159 PolarHBondContact O-N 2.96Å; T156-S160 WeakPolarHBondContact O-CB 3.29Å; T156-S160 PolarHBondContact O-N 2.86Å; T156-S160 PolarHBondContact O-OG 3.41Å |
| 157 | Q | 92.4 | Very high | 93.5 | Very high | 139 Ų | 139 | 46.6 Ų | 46.6 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.2 | -35.8 | -179.2 | -171.4 | -176.6 | 11.7 | 0 | 0 | 113.3 | W155 S160 L161 | W155-Q157 VanDerWaalsContact C-N 3.3Å; W155-Q157 PolarHBondContact O-N 3.38Å; Q157-S160 PolarHBondContact O-OG 3.12Å; Q157-L161 WeakPolarHBondContact O-CG 3.49Å |
| 158 | K | 93 | Very high | 93.9 | Very high | 30 Ų | 30 | 51 Ų | 51 | 13% | 0.13 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -81.4 | -42.1 | 179.9 | -69.7 | -177.6 | -177.2 | 178.8 | 0 | 111.3 | W155 T156 S160 L161 M207 R209 L216 | W155-K158 PolarHBondContact O-N 2.9Å; T156-K158 VanDerWaalsContact C-N 3.33Å; T156-K158 PolarHBondContact O-N 3.07Å; K158-S160 VanDerWaalsContact C-N 3.27Å; K158-S160 PolarHBondContact O-N 2.87Å; K158-L161 WeakPolarHBondContact O-CB 3.32Å; K158-L161 PolarHBondContact O-N 2.79Å; K158-L161 VanDerWaalsContact O-N 3.09Å; K158-M207 HydrophobicContact CB-CE 3.72Å; K158-M207 HydrophobicContact CB-SD 4.38Å; K158-M207 HydrophobicContact CD-CE 4.26Å; K158-M207 WeakPolarHBondContact CD-O 3.27Å; K158-M207 PolarHBondContact NZ-O 2.95Å; K158-R209 WeakPolarHBondContact CE-O 3.27Å; K158-R209 PolarHBondContact NZ-O 3.39Å; K158-L216 HydrophobicContact CB-CD1 4.3Å |
| 159 | V | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -32 | -178.9 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | V131 L133 L140 A143 W155 T156 L161 I162 V165 I182 M207 | V131-V159 HydrophobicContact CG2-CG2 4.44Å; L133-V159 HydrophobicContact CD2-CG1 3.68Å; L140-V159 HydrophobicContact CD2-CG1 4.31Å; A143-V159 HydrophobicContact CB-CB 3.53Å; A143-V159 HydrophobicContact CB-CG1 3.65Å; A143-V159 HydrophobicContact CB-CG2 3.64Å; W155-V159 HydrophobicContact CB-CG2 3.94Å; W155-V159 WeakPolarHBondContact O-CB 3.45Å; W155-V159 WeakPolarHBondContact O-CG2 3.4Å; W155-V159 PolarHBondContact O-N 2.81Å; T156-V159 PolarHBondContact O-N 2.96Å; V159-L161 PolarHBondContact O-N 2.87Å; V159-I162 HydrophobicContact CG2-CD1 4.41Å; V159-I162 WeakPolarHBondContact O-CB 3.32Å; V159-I162 PolarHBondContact O-N 2.85Å; V159-I162 VanDerWaalsContact O-N 3.11Å; V159-V165 HydrophobicContact CG1-CB 4.44Å; V159-V165 HydrophobicContact CG1-CG1 4.11Å; V159-V165 HydrophobicContact CG1-CG2 3.98Å; V159-I182 HydrophobicContact CG2-CD1 3.76Å; V159-M207 HydrophobicContact CG2-CE 3.74Å |
| 160 | S | 94 | Very high | 94.5 | Very high | 44 Ų | 44 | 52 Ų | 52 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.8 | 173.8 | 64.9 | 0 | 0 | 0 | 0 | 114.1 | T156 Q157 K158 Q167 | T156-S160 WeakPolarHBondContact O-CB 3.29Å; T156-S160 PolarHBondContact O-N 2.86Å; T156-S160 PolarHBondContact O-OG 3.41Å; Q157-S160 PolarHBondContact O-OG 3.12Å; K158-S160 VanDerWaalsContact C-N 3.27Å; K158-S160 PolarHBondContact O-N 2.87Å; S160-Q167 PolarHBondContact O-NE2 2.62Å |
| 161 | L | 93.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 51.3 Ų | 51.3 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -9.1 | 175.9 | -58.4 | 173.1 | 0 | 0 | 0 | 113 | Q157 K158 V159 S163 N212 L216 | Q157-L161 WeakPolarHBondContact O-CG 3.49Å; K158-L161 WeakPolarHBondContact O-CB 3.32Å; K158-L161 PolarHBondContact O-N 2.79Å; K158-L161 VanDerWaalsContact O-N 3.09Å; V159-L161 PolarHBondContact O-N 2.87Å; L161-S163 PolarHBondContact O-N 2.83Å; L161-N212 HydrophobicContact CD1-CB 3.68Å; L161-N212 WeakPolarHBondContact CD1-ND2 3.25Å; L161-N212 WeakPolarHBondContact CD1-OD1 3.49Å; L161-L216 HydrophobicContact CB-CD1 4.05Å; L161-L216 HydrophobicContact CD1-CD1 4.04Å |
| 162 | I | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | trans | -78 | 111.5 | 175.9 | -59.8 | 175.8 | 0 | 0 | 0 | 107.7 | V159 A164 V165 I182 M207 L219 | V159-I162 HydrophobicContact CG2-CD1 4.41Å; V159-I162 WeakPolarHBondContact O-CB 3.32Å; V159-I162 PolarHBondContact O-N 2.85Å; V159-I162 VanDerWaalsContact O-N 3.11Å; I162-A164 HydrophobicContact CG2-CB 4.31Å; I162-A164 PolarHBondContact O-N 2.92Å; I162-A164 VanDerWaalsContact O-N 3.1Å; I162-V165 HydrophobicContact CB-CG2 3.96Å; I162-V165 HydrophobicContact CG2-CG2 3.97Å; I162-V165 WeakPolarHBondContact O-CB 3.43Å; I162-V165 PolarHBondContact O-N 2.62Å; I162-I182 HydrophobicContact CD1-CD1 4.09Å; I162-I182 HydrophobicContact CD1-CG2 3.91Å; I162-M207 HydrophobicContact CD1-SD 4.46Å; I162-L219 HydrophobicContact CD1-CB 4.1Å; I162-L219 HydrophobicContact CD1-CD1 4.05Å; I162-L219 HydrophobicContact CG1-CB 4.27Å; I162-L219 HydrophobicContact CG1-CD1 4.49Å; I162-L219 HydrophobicContact CG2-CB 4.15Å; I162-L219 WeakPolarHBondContact CG2-O 3.45Å | ||
| 163 | S | 92.8 | Very high | 94.7 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 62% | 0.615 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.8 | -173.2 | -1.3 | 0 | 0 | 0 | 0 | 113.4 | L161 V165 N217 | L161-S163 PolarHBondContact O-N 2.83Å; S163-V165 VanDerWaalsContact C-N 3.25Å; S163-V165 PolarHBondContact O-N 2.9Å; S163-N217 PolarHBondContact OG-OD1 3.34Å |
| 164 | A | 94.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 34% | 0.339 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -6.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I162 P166 A220 | I162-A164 HydrophobicContact CG2-CB 4.31Å; I162-A164 PolarHBondContact O-N 2.92Å; I162-A164 VanDerWaalsContact O-N 3.1Å; A164-P166 WeakPolarHBondContact O-CD 3.34Å; A164-A220 HydrophobicContact CB-CB 3.76Å |
| 165 | V | 97.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -97.7 | 111.4 | 177 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | L133 L140 V159 I162 S163 Q167 V221 | L133-V165 HydrophobicContact CD1-CG1 4.22Å; L140-V165 HydrophobicContact CD2-CG1 3.98Å; V159-V165 HydrophobicContact CG1-CB 4.44Å; V159-V165 HydrophobicContact CG1-CG1 4.11Å; V159-V165 HydrophobicContact CG1-CG2 3.98Å; I162-V165 HydrophobicContact CB-CG2 3.96Å; I162-V165 HydrophobicContact CG2-CG2 3.97Å; I162-V165 WeakPolarHBondContact O-CB 3.43Å; I162-V165 PolarHBondContact O-N 2.62Å; S163-V165 VanDerWaalsContact C-N 3.25Å; S163-V165 PolarHBondContact O-N 2.9Å; V165-Q167 PolarHBondContact O-N 3.04Å; V165-Q167 PolarHBondContact O-NE2 3.21Å; V165-V221 HydrophobicContact CG2-CB 4.24Å; V165-V221 HydrophobicContact CG2-CG1 3.89Å |
| 166 | P | 96.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | trans | -58.7 | 124.2 | 175.3 | -21.7 | 32.8 | 0 | 0 | 0 | 110.6 | Y135 A164 T168 V169 A243 F245 | Y135-P166 VanDerWaalsContact CE1-O 3.3Å; Y135-P166 WeakPolarHBondContact CE1-O 3.18Å; Y135-P166 PolarHBondContact OH-O 2.87Å; A164-P166 WeakPolarHBondContact O-CD 3.34Å; P166-T168 VanDerWaalsContact C-N 3.29Å; P166-V169 HydrophobicContact CB-CG1 4.02Å; P166-A243 WeakPolarHBondContact CG-O 3.42Å; P166-F245 VanDerWaalsContact CD-CE1 3.42Å; P166-F245 VanDerWaalsContact CD-CZ 3.47Å; P166-F245 HydrophobicContact CG-CE1 4.15Å; P166-F245 HydrophobicContact CG-CE2 4.17Å; P166-F245 HydrophobicContact CG-CZ 3.94Å | ||
| 167 | Q | 96.9 | Very high | 95.3 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -75.2 | -26.9 | 176.6 | -60.5 | -52.3 | -60.8 | 0 | 0 | 111.8 | K139 L140 S160 V165 | K139-Q167 WeakPolarHBondContact CA-O 3.5Å; L140-Q167 PolarHBondContact N-O 2.56Å; S160-Q167 PolarHBondContact O-NE2 2.62Å; V165-Q167 PolarHBondContact O-N 3.04Å; V165-Q167 PolarHBondContact O-NE2 3.21Å |
| 168 | T | 97.5 | Very high | 95.6 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 61% | 0.613 | 26% | 0.256 | S | S | * | . | B | Isolated β-bridge | trans | -126.3 | 141.7 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | G138 K139 P166 | G138-T168 CarbonylContact O-C 3.59Å; G138-T168 WeakPolarHBondContact O-CA 3.34Å; K139-T168 HydrophobicContact CG-CG2 4.38Å; P166-T168 VanDerWaalsContact C-N 3.29Å |
| 169 | V | 97.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.085 | 25% | 0.25 | C | C | . | . | trans | -136.3 | 161.2 | 174.7 | -60.5 | 0 | 0 | 0 | 0 | 108.7 | Y135 G138 P166 L173 A243 | Y135-V169 HydrophobicContact CD1-CB 4.29Å; Y135-V169 HydrophobicContact CD1-CG1 4.02Å; Y135-V169 HydrophobicContact CD1-CG2 3.35Å; Y135-V169 HydrophobicContact CD2-CG2 4.41Å; Y135-V169 HydrophobicContact CE1-CB 4.37Å; Y135-V169 HydrophobicContact CE1-CG1 3.62Å; Y135-V169 HydrophobicContact CE1-CG2 3.89Å; Y135-V169 HydrophobicContact CG-CG2 3.65Å; G138-V169 WeakPolarHBondContact CA-O 3.23Å; G138-V169 PolarHBondContact O-N 2.72Å; P166-V169 HydrophobicContact CB-CG1 4.02Å; V169-L173 HydrophobicContact CB-CB 4.04Å; V169-L173 HydrophobicContact CG2-CB 3.82Å; V169-L173 WeakPolarHBondContact CG2-O 3.42Å; V169-A243 HydrophobicContact CG1-CB 4.23Å | ||
| 170 | S | 95.5 | Very high | 96 | Very high | 89 Ų | 89 | 38 Ų | 38 | 62% | 0.622 | 25% | 0.25 | S | C | * | . | trans | -130.7 | 177.6 | -178.1 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | L173 | S170-L173 PolarHBondContact O-N 3.42Š| ||
| 171 | G | 94.1 | Very high | 96.2 | Very high | 57 Ų | 57 | 37.1 Ų | 37.1 | 59% | 0.588 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | 62.4 | -142.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L173 A174 | G171-L173 PolarHBondContact O-N 3.49Å; G171-L173 VanDerWaalsContact O-N 3.14Å; G171-A174 VanDerWaalsContact O-CB 3.27Å; G171-A174 WeakPolarHBondContact O-CB 3.43Å; G171-A174 PolarHBondContact O-N 3.14Å |
| 172 | P | 92.7 | Very high | 96.4 | Very high | 78 Ų | 78 | 33.7 Ų | 33.7 | 51% | 0.506 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -62.9 | -21.7 | -176.2 | -18.9 | 30.6 | 0 | 0 | 0 | 113.9 | A174 W226 | P172-A174 VanDerWaalsContact C-N 3.3Å; P172-A174 PolarHBondContact O-N 2.85Å; P172-W226 HydrophobicContact CB-CH2 3.92Å; P172-W226 HydrophobicContact CB-CZ2 4.1Å |
| 173 | L | 95.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -76.8 | -15.1 | 177.1 | -77.1 | 88.2 | 0 | 0 | 0 | 113.5 | Y135 V169 S170 G171 N175 S176 L178 W226 E239 L240 A243 F245 | Y135-L173 WeakPolarHBondContact CB-O 3.36Å; V169-L173 HydrophobicContact CB-CB 4.04Å; V169-L173 HydrophobicContact CG2-CB 3.82Å; V169-L173 WeakPolarHBondContact CG2-O 3.42Å; S170-L173 PolarHBondContact O-N 3.42Å; G171-L173 PolarHBondContact O-N 3.49Å; G171-L173 VanDerWaalsContact O-N 3.14Å; L173-N175 PolarHBondContact O-N 3.19Å; L173-S176 WeakPolarHBondContact CA-OG 3.35Å; L173-S176 WeakPolarHBondContact O-CB 3.12Å; L173-S176 PolarHBondContact O-N 2.93Å; L173-S176 PolarHBondContact O-OG 3.07Å; L173-L178 HydrophobicContact CD2-CD1 4.16Å; L173-W226 HydrophobicContact CD1-CH2 3.27Å; L173-W226 HydrophobicContact CD1-CZ2 4.02Å; L173-W226 HydrophobicContact CD1-CZ3 3.59Å; L173-W226 HydrophobicContact CG-CH2 3.67Å; L173-W226 HydrophobicContact CG-CZ2 3.92Å; L173-W226 HydrophobicContact CG-CZ3 4.05Å; L173-E239 HydrophobicContact CD1-CB 4.02Å; L173-L240 HydrophobicContact CD2-CD2 4.14Å; L173-A243 HydrophobicContact CD1-CB 4.36Å; L173-A243 HydrophobicContact CD2-CB 3.62Å; L173-F245 HydrophobicContact CD2-CD2 4.38Å; L173-F245 HydrophobicContact CD2-CE2 4.25Å |
| 174 | A | 96.5 | Very high | 96.6 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -57.2 | -29.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y135 R136 D137 G138 G171 P172 | Y135-A174 CarbonylContact C-O 3.55Å; R136-A174 CarbonylContact C-O 3.49Å; R136-A174 VanDerWaalsContact C-O 3.3Å; R136-A174 WeakPolarHBondContact CA-O 3.38Å; R136-A174 PolarHBondContact N-O 2.92Å; D137-A174 PolarHBondContact N-O 3.47Å; G138-A174 PolarHBondContact N-O 3.36Å; G171-A174 VanDerWaalsContact O-CB 3.27Å; G171-A174 WeakPolarHBondContact O-CB 3.43Å; G171-A174 PolarHBondContact O-N 3.14Å; P172-A174 VanDerWaalsContact C-N 3.3Å; P172-A174 PolarHBondContact O-N 2.85Å |
| 175 | N | 96.7 | Very high | 96.6 | Very high | 82 Ų | 82 | 31.3 Ų | 31.3 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -129.7 | 72.8 | 174.5 | -74.2 | -61.7 | 0 | 0 | 0 | 109.5 | Y135 D137 L173 | Y135-N175 WeakPolarHBondContact O-CA 3.38Å; D137-N175 PolarHBondContact N-OD1 3.32Å; D137-N175 VanDerWaalsContact N-OD1 3.08Å; L173-N175 PolarHBondContact O-N 3.19Å |
| 176 | S | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -133.5 | 158.1 | -173.3 | 64.5 | 0 | 0 | 0 | 0 | 112.7 | Y135 L173 | Y135-S176 PolarHBondContact N-O 3.15Å; Y135-S176 PolarHBondContact O-N 2.96Å; L173-S176 WeakPolarHBondContact CA-OG 3.35Å; L173-S176 WeakPolarHBondContact O-CB 3.12Å; L173-S176 PolarHBondContact O-N 2.93Å; L173-S176 PolarHBondContact O-OG 3.07Å | ||
| 177 | T | 97.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.8 | 165.5 | -58.8 | 0 | 0 | 0 | 0 | 108.2 | P95 V96 T132 L133 P227 | P95-T177 HydrophobicContact CB-CG2 4.46Å; V96-T177 HydrophobicContact CG2-CG2 4.42Å; T132-T177 HydrophobicContact CG2-CG2 3.57Å; L133-T177 WeakPolarHBondContact O-CA 3.08Å; T177-P227 WeakPolarHBondContact O-CD 3.22Å |
| 178 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.2 | 174.8 | -51.8 | -179.8 | 0 | 0 | 0 | 109.1 | T132 L133 Y135 L173 V223 W226 L240 F245 | T132-L178 CarbonylContact C-O 3.44Å; T132-L178 WeakPolarHBondContact CA-O 3.47Å; L133-L178 HydrophobicContact CB-CB 4.29Å; L133-L178 PolarHBondContact N-O 3.43Å; L133-L178 PolarHBondContact O-N 3.36Å; Y135-L178 HydrophobicContact CD2-CD1 4.33Å; Y135-L178 HydrophobicContact CE2-CD1 3.99Å; L173-L178 HydrophobicContact CD2-CD1 4.16Å; L178-V223 HydrophobicContact CB-CG1 4.1Å; L178-V223 HydrophobicContact CD1-CG1 4.46Å; L178-V223 HydrophobicContact CD1-CG2 4.31Å; L178-V223 HydrophobicContact CD2-CG1 4.48Å; L178-W226 HydrophobicContact CD2-CB 3.78Å; L178-W226 HydrophobicContact CD2-CD2 3.95Å; L178-W226 HydrophobicContact CD2-CG 3.52Å; L178-L240 HydrophobicContact CD1-CD2 4.19Å; L178-L240 HydrophobicContact CD2-CD2 4.12Å; L178-F245 HydrophobicContact CD1-CD2 4.11Å; L178-F245 HydrophobicContact CD1-CE2 3.43Å; L178-F245 VanDerWaalsContact CD1-CE2 3.43Å; L178-F245 HydrophobicContact CD1-CZ 3.8Å |
| 179 | Q | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133 | 168.6 | -64.4 | 177.2 | -23.8 | 0 | 0 | 108.9 | V96 A97 V131 W224 A225 | V96-Q179 PolarHBondContact O-NE2 2.89Å; A97-Q179 PolarHBondContact O-NE2 3.34Å; V131-Q179 WeakPolarHBondContact O-CA 3.42Å; Q179-W224 HydrophobicContact CB-CD2 4.46Å; Q179-W224 HydrophobicContact CB-CE3 4.29Å; Q179-W224 HydrophobicContact CB-CH2 3.37Å; Q179-W224 HydrophobicContact CB-CZ2 3.58Å; Q179-W224 HydrophobicContact CB-CZ3 3.76Å; Q179-W224 HydrophobicContact CG-CH2 4.16Å; Q179-W224 PolarHBondContact O-N 2.77Å; Q179-W224 VanDerWaalsContact OE1-CZ3 3.31Å; Q179-A225 HydrophobicContact CB-CB 4.34Å; Q179-A225 PolarHBondContact N-O 3.05Å; Q179-A225 PolarHBondContact O-N 2.97Å |
| 180 | G | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A130 V131 F222 W224 | A130-G180 CarbonylContact C-O 3.53Å; A130-G180 WeakPolarHBondContact CA-O 3.4Å; V131-G180 PolarHBondContact N-O 3.16Å; V131-G180 PolarHBondContact O-N 2.95Å; G180-F222 CarbonylContact C-O 3.58Å; G180-F222 WeakPolarHBondContact CA-O 3.43Å; G180-W224 VanDerWaalsContact C-CD1 3.47Å; G180-W224 VanDerWaalsContact CA-CD1 3.47Å; G180-W224 VanDerWaalsContact CA-NE1 3.34Å; G180-W224 PolarHBondContact O-NE1 2.95Å |
| 181 | E | 98 | Very high | 95.4 | Very high | 24 Ų | 24 | 31.4 Ų | 31.4 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.9 | 174.8 | -156.5 | 80.3 | 173.6 | 0 | 0 | 108.4 | V126 V129 A130 R200 V221 F222 | V126-E181 HydrophobicContact CB-CB 4.41Å; V126-E181 HydrophobicContact CB-CG 4.45Å; V126-E181 HydrophobicContact CG1-CG 4.43Å; V129-E181 PolarHBondContact N-OE1 2.72Å; V129-E181 WeakPolarHBondContact O-CA 3.45Å; A130-E181 WeakPolarHBondContact CA-OE2 3.45Å; A130-E181 WeakPolarHBondContact CB-OE2 3.48Å; A130-E181 PolarHBondContact N-OE2 3.13Å; E181-R200 IonicContact OE1-NH2 3.04Å; E181-V221 CarbonylContact O-C 3.54Å; E181-V221 WeakPolarHBondContact O-CA 3.34Å; E181-F222 PolarHBondContact N-O 2.77Å; E181-F222 PolarHBondContact O-N 3.37Å |
| 182 | I | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126.8 | 165.4 | -58.2 | 174.4 | 0 | 0 | 0 | 107 | G128 V129 V131 W155 V159 I162 V203 M207 L219 A220 | G128-I182 CarbonylContact C-O 3.59Å; G128-I182 WeakPolarHBondContact CA-O 3.46Å; V129-I182 HydrophobicContact CG2-CB 4.03Å; V129-I182 PolarHBondContact N-O 2.76Å; V129-I182 PolarHBondContact O-N 3Å; V131-I182 HydrophobicContact CB-CD1 3.9Å; V131-I182 HydrophobicContact CB-CG1 3.97Å; V131-I182 HydrophobicContact CG1-CD1 4.07Å; V131-I182 HydrophobicContact CG1-CG1 3.66Å; V131-I182 HydrophobicContact CG2-CD1 4.03Å; W155-I182 HydrophobicContact CE3-CD1 4.29Å; W155-I182 HydrophobicContact CZ3-CD1 4.44Å; V159-I182 HydrophobicContact CG2-CD1 3.76Å; I162-I182 HydrophobicContact CD1-CD1 4.09Å; I162-I182 HydrophobicContact CD1-CG2 3.91Å; I182-V203 HydrophobicContact CB-CG1 4.19Å; I182-V203 HydrophobicContact CG2-CG1 3.71Å; I182-M207 HydrophobicContact CD1-CE 4.11Å; I182-M207 HydrophobicContact CD1-SD 4.42Å; I182-L219 HydrophobicContact CG2-CB 4.07Å; I182-L219 HydrophobicContact CG2-CD1 3.98Å; I182-L219 HydrophobicContact CG2-CG 4.44Å; I182-A220 CarbonylContact C-O 3.58Å; I182-A220 WeakPolarHBondContact CA-O 3.31Å |
| 183 | F | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 160.7 | -176.5 | 68.3 | -94.9 | 0 | 0 | 0 | 111.7 | V126 Q185 L219 A220 F222 L247 F275 | V126-F183 HydrophobicContact CG1-CB 3.49Å; V126-F183 VanDerWaalsContact CG1-CB 3.49Å; V126-F183 HydrophobicContact CG1-CD1 3.66Å; V126-F183 HydrophobicContact CG1-CD2 4.48Å; V126-F183 HydrophobicContact CG1-CG 3.63Å; F183-Q185 HydrophobicContact CE2-CG 4.16Å; F183-L219 CarbonylContact O-C 3.48Å; F183-L219 VanDerWaalsContact O-CA 3.28Å; F183-L219 WeakPolarHBondContact O-CA 3.47Å; F183-A220 HydrophobicContact CD2-CB 4.46Å; F183-A220 HydrophobicContact CE1-CB 3.87Å; F183-A220 HydrophobicContact CE2-CB 3.73Å; F183-A220 HydrophobicContact CZ-CB 3.4Å; F183-A220 PolarHBondContact N-O 2.82Å; F183-A220 PolarHBondContact O-N 3.03Å; F183-F222 HydrophobicContact CD1-CB 4.16Å; F183-F222 HydrophobicContact CE1-CB 3.96Å; F183-L247 HydrophobicContact CE1-CD1 3.92Å; F183-L247 HydrophobicContact CZ-CD1 3.58Å; F183-F275 HydrophobicContact CD2-CB 3.43Å; F183-F275 VanDerWaalsContact CD2-CB 3.43Å; F183-F275 HydrophobicContact CD2-CD1 4.25Å; F183-F275 HydrophobicContact CD2-CG 4.25Å; F183-F275 HydrophobicContact CE1-CD1 4.13Å; F183-F275 HydrophobicContact CE2-CB 3.57Å; F183-F275 AromaticContact CE2-CD1 3.71Å; F183-F275 HydrophobicContact CE2-CD1 3.71Å; F183-F275 HydrophobicContact CE2-CG 4.11Å; F183-F275 HydrophobicContact CG-CB 4.13Å; F183-F275 HydrophobicContact CZ-CB 4.34Å; F183-F275 AromaticContact CZ-CD1 3.63Å; F183-F275 HydrophobicContact CZ-CD1 3.63Å; F183-F275 HydrophobicContact CZ-CE1 4.46Å; F183-F275 HydrophobicContact CZ-CG 4.41Å |
| 184 | L | 94.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.2 | 175.9 | -178 | 62.2 | 0 | 0 | 0 | 109.9 | R186 K202 V203 S218 L219 | L184-R186 VanDerWaalsContact CD2-NH2 3.26Å; L184-R186 VanDerWaalsContact CG-NH1 3.3Å; L184-R186 PolarHBondContact O-N 3.05Å; L184-K202 HydrophobicContact CD2-CB 4.07Å; L184-K202 HydrophobicContact CD2-CD 3.9Å; L184-V203 HydrophobicContact CB-CG2 3.75Å; L184-S218 WeakPolarHBondContact CD1-OG 3.44Å; L184-L219 HydrophobicContact CB-CD2 4.46Å; L184-L219 HydrophobicContact CD1-CD2 4.16Å |
| 185 | Q | 95.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 33% | 0.332 | 20% | 0.199 | S | C | . | . | trans | -62.5 | 127.8 | 178.4 | -64.9 | -178.8 | 67.6 | 0 | 0 | 110.3 | F183 N217 S218 L219 A220 | F183-Q185 HydrophobicContact CE2-CG 4.16Å; Q185-N217 PolarHBondContact NE2-O 3.49Å; Q185-S218 VanDerWaalsContact CB-O 3.31Å; Q185-S218 WeakPolarHBondContact CB-O 3.5Å; Q185-S218 WeakPolarHBondContact CG-O 3.33Å; Q185-S218 PolarHBondContact N-O 3.17Å; Q185-L219 PolarHBondContact NE2-O 3.19Å; Q185-A220 HydrophobicContact CG-CB 3.6Å | ||
| 186 | R | 93.7 | Very high | 92.2 | Very high | 89 Ų | 89 | 37.3 Ų | 37.3 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | trans | -144.4 | 71.1 | -177.7 | -72.7 | -65.8 | 179.7 | -96.7 | 12.3 | 109.6 | L184 G188 H189 I197 P274 V276 | L184-R186 VanDerWaalsContact CD2-NH2 3.26Å; L184-R186 VanDerWaalsContact CG-NH1 3.3Å; L184-R186 PolarHBondContact O-N 3.05Å; R186-G188 PolarHBondContact O-N 2.97Å; R186-H189 HydrophobicContact CB-CB 4.03Å; R186-H189 VanDerWaalsContact O-CB 3.32Å; R186-H189 WeakPolarHBondContact O-CB 3.49Å; R186-H189 PolarHBondContact O-N 3.48Å; R186-H189 VanDerWaalsContact O-N 3.13Å; R186-I197 HydrophobicContact CG-CD1 3.84Å; R186-P274 CarbonylContact C-O 3.59Å; R186-P274 PolarHBondContact N-O 2.91Å; R186-P274 CarbonylContact O-C 3.56Å; R186-V276 HydrophobicContact CG-CG2 4.35Å | ||
| 187 | E | 93.1 | Very high | 91.4 | Very high | 146 Ų | 146 | 39.4 Ų | 39.4 | 68% | 0.682 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 128.3 | 177.2 | -68.1 | -57.7 | 146.4 | 0 | 0 | 111.8 | P274 | E187-P274 WeakPolarHBondContact OE1-CB 3.4Š|
| 188 | G | 93.5 | Very high | 90.5 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 9.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R186 I190 L273 | R186-G188 PolarHBondContact O-N 2.97Å; G188-I190 PolarHBondContact O-N 3.15Å; G188-L273 PolarHBondContact N-O 3.1Å; G188-L273 VanDerWaalsContact N-O 3.15Å |
| 189 | H | 93.2 | Very high | 90 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -64.3 | 130.7 | 176.9 | -176.6 | -85.5 | 0 | 0 | 0 | 111 | R186 Q191 G195 K272 L273 | R186-H189 HydrophobicContact CB-CB 4.03Å; R186-H189 VanDerWaalsContact O-CB 3.32Å; R186-H189 WeakPolarHBondContact O-CB 3.49Å; R186-H189 PolarHBondContact O-N 3.48Å; R186-H189 VanDerWaalsContact O-N 3.13Å; H189-Q191 PolarHBondContact CE1-OE1 3.46Å; H189-G195 PolarHBondContact CE1-O 2.71Å; H189-G195 PolarHBondContact NE2-O 2.82Å; H189-G195 VanDerWaalsContact NE2-O 3.16Å; H189-K272 WeakPolarHBondContact O-CA 3.35Å; H189-L273 PolarHBondContact N-O 2.94Å; H189-L273 VanDerWaalsContact N-O 3.12Å; H189-L273 PolarHBondContact O-N 3.42Å |
| 190 | I | 92.9 | Very high | 89.5 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | trans | -118.9 | 105.5 | 176.3 | -59.1 | 171.1 | 0 | 0 | 0 | 108.1 | G188 Q192 Q193 M194 K270 K272 | G188-I190 PolarHBondContact O-N 3.15Å; I190-Q192 VanDerWaalsContact C-N 3.32Å; I190-Q192 HydrophobicContact CG2-CB 4.48Å; I190-Q192 PolarHBondContact O-N 2.86Å; I190-Q193 HydrophobicContact CB-CB 4.38Å; I190-Q193 HydrophobicContact CG2-CB 4.17Å; I190-Q193 HydrophobicContact CG2-CG 3.93Å; I190-Q193 PolarHBondContact O-N 3.33Å; I190-Q193 VanDerWaalsContact O-N 3.09Å; I190-M194 WeakPolarHBondContact O-CB 3.39Å; I190-M194 PolarHBondContact O-N 3.36Å; I190-K270 WeakPolarHBondContact CG2-O 3.09Å; I190-K272 HydrophobicContact CD1-CG 3.76Å; I190-K272 HydrophobicContact CG1-CB 4.49Å; I190-K272 HydrophobicContact CG1-CG 3.67Å | ||
| 191 | Q | 90.4 | Very high | 88.7 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | -173.4 | -174.9 | 67.3 | 34.4 | 0 | 0 | 113.6 | H189 Q193 G195 T277 Y306 | H189-Q191 PolarHBondContact CE1-OE1 3.46Å; Q191-Q193 VanDerWaalsContact C-N 3.28Å; Q191-Q193 PolarHBondContact O-N 3.21Å; Q191-G195 VanDerWaalsContact NE2-C 3.31Å; Q191-G195 PolarHBondContact NE2-O 2.83Å; Q191-G195 WeakPolarHBondContact O-CA 3.18Å; Q191-G195 PolarHBondContact O-N 2.82Å; Q191-T277 VanDerWaalsContact CG-O 3.29Å; Q191-T277 WeakPolarHBondContact CG-O 3.23Å; Q191-T277 PolarHBondContact OE1-O 2.98Å; Q191-Y306 HydrophobicContact CB-CE2 4.27Å; Q191-Y306 HydrophobicContact CG-CD2 3.6Å; Q191-Y306 HydrophobicContact CG-CE2 3.76Å |
| 192 | Q | 87.9 | Confident | 88.2 | Confident | 67 Ų | 67 | 46.4 Ų | 46.4 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.4 | -37.2 | 177.9 | -176.6 | -176.3 | 48 | 0 | 0 | 112.8 | I190 W269 | I190-Q192 VanDerWaalsContact C-N 3.32Å; I190-Q192 HydrophobicContact CG2-CB 4.48Å; I190-Q192 PolarHBondContact O-N 2.86Å; Q192-W269 HydrophobicContact CB-CD2 3.97Å; Q192-W269 HydrophobicContact CB-CG 4.15Å; Q192-W269 HydrophobicContact CB-CZ2 4.22Å; Q192-W269 VanDerWaalsContact CB-O 3.28Å; Q192-W269 WeakPolarHBondContact CB-O 3.09Å; Q192-W269 HydrophobicContact CG-CD2 4.19Å; Q192-W269 HydrophobicContact CG-CE3 4.46Å; Q192-W269 HydrophobicContact CG-CH2 4.1Å; Q192-W269 HydrophobicContact CG-CZ2 3.79Å; Q192-W269 HydrophobicContact CG-CZ3 4.43Å; Q192-W269 PolarHBondContact N-O 2.8Å |
| 193 | Q | 84.1 | Confident | 87.9 | Confident | 145 Ų | 145 | 46.3 Ų | 46.3 | 68% | 0.678 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -94.2 | -38.7 | -172.9 | -65 | 179.9 | -7.6 | 0 | 0 | 112.3 | I190 Q191 | I190-Q193 HydrophobicContact CB-CB 4.38Å; I190-Q193 HydrophobicContact CG2-CB 4.17Å; I190-Q193 HydrophobicContact CG2-CG 3.93Å; I190-Q193 PolarHBondContact O-N 3.33Å; I190-Q193 VanDerWaalsContact O-N 3.09Å; Q191-Q193 VanDerWaalsContact C-N 3.28Å; Q191-Q193 PolarHBondContact O-N 3.21Å |
| 194 | M | 82.7 | Confident | 87.5 | Confident | 107 Ų | 107 | 46.3 Ų | 46.3 | 53% | 0.527 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -97.8 | -16.1 | -170.6 | -58.3 | 179.8 | 73.9 | 0 | 0 | 113.1 | I190 | I190-M194 WeakPolarHBondContact O-CB 3.39Å; I190-M194 PolarHBondContact O-N 3.36Å |
| 195 | G | 78.4 | Confident | 87.2 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | trans | 62.7 | -162 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H189 Q191 | H189-G195 PolarHBondContact CE1-O 2.71Å; H189-G195 PolarHBondContact NE2-O 2.82Å; H189-G195 VanDerWaalsContact NE2-O 3.16Å; Q191-G195 VanDerWaalsContact NE2-C 3.31Å; Q191-G195 PolarHBondContact NE2-O 2.83Å; Q191-G195 WeakPolarHBondContact O-CA 3.18Å; Q191-G195 PolarHBondContact O-N 2.82Å | ||
| 196 | G | 75 | Confident | 86.9 | Confident | 30 Ų | 30 | 44 Ų | 44 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | trans | -74.4 | 149.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 197 | I | 80 | Confident | 86.7 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 22% | 0.221 | 21% | 0.211 | C | C | . | . | trans | -123.9 | 23.7 | 175 | 62.5 | 163.4 | 0 | 0 | 0 | 112.3 | R186 A199 K202 V276 | R186-I197 HydrophobicContact CG-CD1 3.84Å; I197-A199 HydrophobicContact CD1-CB 4.49Å; I197-A199 HydrophobicContact CG1-CB 4.06Å; I197-A199 PolarHBondContact O-N 2.89Å; I197-K202 WeakPolarHBondContact O-CE 3.05Å; I197-K202 PolarHBondContact O-NZ 3.36Å; I197-V276 HydrophobicContact CD1-CG2 3.9Å; I197-V276 HydrophobicContact CG1-CG2 3.75Å | ||
| 198 | N | 79.6 | Confident | 86.3 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | trans | 49.1 | 44.8 | -169.7 | -64.9 | -7 | 0 | 0 | 0 | 112 | E58 A201 K202 | E58-N198 WeakPolarHBondContact CA-OD1 3.47Å; N198-A201 HydrophobicContact CB-CB 4.32Å; N198-A201 PolarHBondContact O-N 3.3Å; N198-K202 WeakPolarHBondContact O-CG 3.28Å; N198-K202 PolarHBondContact O-N 3.17Å | ||
| 199 | A | 86.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -47.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | I197 A201 K202 V203 V276 | I197-A199 HydrophobicContact CD1-CB 4.49Å; I197-A199 HydrophobicContact CG1-CB 4.06Å; I197-A199 PolarHBondContact O-N 2.89Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-A201 PolarHBondContact O-N 2.96Å; A199-K202 WeakPolarHBondContact O-CB 3.47Å; A199-K202 PolarHBondContact O-N 3.15Å; A199-K202 VanDerWaalsContact O-N 3.15Å; A199-V203 WeakPolarHBondContact O-CG2 3.44Å; A199-V203 PolarHBondContact O-N 3.41Å; A199-V276 HydrophobicContact CB-CB 4.01Å; A199-V276 HydrophobicContact CB-CG1 4.48Å; A199-V276 HydrophobicContact CB-CG2 3.76Å |
| 200 | R | 86.8 | Confident | 84.8 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -49.6 | -52.4 | 173.4 | 164.9 | 177.2 | -73.2 | 121 | 13.1 | 112.4 | Y49 D59 D127 G128 V129 E181 K202 V203 A204 | Y49-R200 HydrophobicContact CE2-CG 4.01Å; Y49-R200 VanDerWaalsContact OH-CD 3.22Å; Y49-R200 WeakPolarHBondContact OH-CD 3.2Å; Y49-R200 WeakPolarHBondContact OH-CG 3.48Å; D59-R200 IonicContact OD2-NH1 3.15Å; D59-R200 PolarHBondContact OD2-NH1 2.91Å; D59-R200 VanDerWaalsContact OD2-NH1 3.08Å; D127-R200 WeakPolarHBondContact OD1-CB 3.2Å; D127-R200 IonicContact OD1-CZ 3.22Å; D127-R200 IonicContact OD1-NE 3.56Å; D127-R200 IonicContact OD1-NH1 2.75Å; D127-R200 PolarHBondContact OD1-NH1 3.43Å; D127-R200 IonicContact OD1-NH2 3.03Å; D127-R200 PolarHBondContact OD1-NH2 2.79Å; D127-R200 VanDerWaalsContact OD1-NH2 3.15Å; D127-R200 PolarHBondContact OD2-N 3.03Å; G128-R200 VanDerWaalsContact O-CG 3.25Å; G128-R200 WeakPolarHBondContact O-CG 3.25Å; G128-R200 PolarHBondContact O-NE 3.2Å; V129-R200 HydrophobicContact CG1-CG 4.35Å; E181-R200 IonicContact OE1-NH2 3.04Å; R200-K202 VanDerWaalsContact C-N 3.34Å; R200-K202 PolarHBondContact O-N 3.06Å; R200-V203 PolarHBondContact O-N 2.85Å; R200-V203 VanDerWaalsContact O-N 3.17Å; R200-A204 WeakPolarHBondContact O-CB 3.33Å; R200-A204 PolarHBondContact O-N 3.31Å |
| 201 | A | 82 | Confident | 83.8 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y49 N198 A199 V203 A204 G205 | Y49-A201 HydrophobicContact CD2-CB 4.48Å; Y49-A201 HydrophobicContact CE2-CB 4.38Å; N198-A201 HydrophobicContact CB-CB 4.32Å; N198-A201 PolarHBondContact O-N 3.3Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-A201 PolarHBondContact O-N 2.96Å; A201-V203 VanDerWaalsContact C-N 3.32Å; A201-V203 PolarHBondContact O-N 3.22Å; A201-A204 PolarHBondContact O-N 2.93Å; A201-G205 PolarHBondContact O-N 3.37Å |
| 202 | K | 87.9 | Confident | 82.5 | Confident | 97 Ų | 97 | 55.4 Ų | 55.4 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 174.3 | -72.5 | 167.5 | -179.9 | 161.4 | 0 | 111.7 | L184 I197 N198 A199 R200 L206 | L184-K202 HydrophobicContact CD2-CB 4.07Å; L184-K202 HydrophobicContact CD2-CD 3.9Å; I197-K202 WeakPolarHBondContact O-CE 3.05Å; I197-K202 PolarHBondContact O-NZ 3.36Å; N198-K202 WeakPolarHBondContact O-CG 3.28Å; N198-K202 PolarHBondContact O-N 3.17Å; A199-K202 WeakPolarHBondContact O-CB 3.47Å; A199-K202 PolarHBondContact O-N 3.15Å; A199-K202 VanDerWaalsContact O-N 3.15Å; R200-K202 VanDerWaalsContact C-N 3.34Å; R200-K202 PolarHBondContact O-N 3.06Å; K202-L206 VanDerWaalsContact O-CG 3.27Å; K202-L206 WeakPolarHBondContact O-CG 3.39Å; K202-L206 PolarHBondContact O-N 3.43Å |
| 203 | V | 91.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 176.9 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | V129 I182 L184 A199 R200 A201 G205 L206 M207 L219 | V129-V203 HydrophobicContact CG1-CB 4.45Å; V129-V203 HydrophobicContact CG1-CG1 4.46Å; V129-V203 HydrophobicContact CG2-CB 4.39Å; V129-V203 HydrophobicContact CG2-CG1 3.55Å; I182-V203 HydrophobicContact CB-CG1 4.19Å; I182-V203 HydrophobicContact CG2-CG1 3.71Å; L184-V203 HydrophobicContact CB-CG2 3.75Å; A199-V203 WeakPolarHBondContact O-CG2 3.44Å; A199-V203 PolarHBondContact O-N 3.41Å; R200-V203 PolarHBondContact O-N 2.85Å; R200-V203 VanDerWaalsContact O-N 3.17Å; A201-V203 VanDerWaalsContact C-N 3.32Å; A201-V203 PolarHBondContact O-N 3.22Å; V203-G205 VanDerWaalsContact C-N 3.33Å; V203-G205 PolarHBondContact O-N 2.89Å; V203-L206 WeakPolarHBondContact O-CB 3.31Å; V203-L206 PolarHBondContact O-N 2.91Å; V203-L206 VanDerWaalsContact O-N 3.14Å; V203-M207 HydrophobicContact CG1-CG 4.25Å; V203-M207 WeakPolarHBondContact O-CG 3.44Å; V203-M207 PolarHBondContact O-N 3.14Å; V203-L219 HydrophobicContact CB-CD2 4.43Å; V203-L219 HydrophobicContact CG1-CD1 4.38Å; V203-L219 HydrophobicContact CG1-CD2 4.06Å; V203-L219 HydrophobicContact CG2-CD2 3.9Å |
| 204 | A | 88.7 | Confident | 81 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.2 | -49.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y49 V129 R200 A201 L206 M207 M208 | Y49-A204 HydrophobicContact CE2-CB 4.28Å; V129-A204 HydrophobicContact CG1-CB 3.79Å; R200-A204 WeakPolarHBondContact O-CB 3.33Å; R200-A204 PolarHBondContact O-N 3.31Å; A201-A204 PolarHBondContact O-N 2.93Å; A204-L206 PolarHBondContact O-N 3.44Å; A204-M207 CarbonylContact O-C 3.55Å; A204-M207 PolarHBondContact O-N 3.03Å; A204-M207 VanDerWaalsContact O-N 3.15Å; A204-M208 HydrophobicContact CB-CE 3.67Å; A204-M208 WeakPolarHBondContact O-CG 3.37Å; A204-M208 PolarHBondContact O-N 3.04Å |
| 205 | G | 86.8 | Confident | 81.1 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G53 A201 V203 M207 M208 R209 | G53-G205 PolarHBondContact O-N 3.47Å; A201-G205 PolarHBondContact O-N 3.37Å; V203-G205 VanDerWaalsContact C-N 3.33Å; V203-G205 PolarHBondContact O-N 2.89Å; G205-M207 VanDerWaalsContact C-N 3.33Å; G205-M207 PolarHBondContact O-N 3.28Å; G205-M208 PolarHBondContact O-N 3.49Å; G205-R209 VanDerWaalsContact O-CG 3.27Å; G205-R209 WeakPolarHBondContact O-CG 3.44Å; G205-R209 PolarHBondContact O-N 3.15Å |
| 206 | L | 90 | Very high | 81.5 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 174.3 | -71.4 | 175.8 | 0 | 0 | 0 | 112.1 | K202 V203 A204 M208 T215 L219 | K202-L206 VanDerWaalsContact O-CG 3.27Å; K202-L206 WeakPolarHBondContact O-CG 3.39Å; K202-L206 PolarHBondContact O-N 3.43Å; V203-L206 WeakPolarHBondContact O-CB 3.31Å; V203-L206 PolarHBondContact O-N 2.91Å; V203-L206 VanDerWaalsContact O-N 3.14Å; A204-L206 PolarHBondContact O-N 3.44Å; L206-M208 VanDerWaalsContact C-N 3.3Å; L206-M208 PolarHBondContact O-N 3.42Å; L206-T215 WeakPolarHBondContact CD2-OG1 3.37Å; L206-L219 HydrophobicContact CB-CD1 4.49Å; L206-L219 HydrophobicContact CD1-CD1 4.45Å; L206-L219 HydrophobicContact CD1-CD2 3.94Å; L206-L219 HydrophobicContact CD1-CG 4.36Å |
| 207 | M | 90.4 | Very high | 82.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74 | -17.9 | 178.3 | -64.2 | -52.3 | -65.7 | 0 | 0 | 113.5 | V129 W155 K158 V159 I162 I182 V203 A204 G205 L216 L219 | V129-M207 HydrophobicContact CG2-CG 4.43Å; W155-M207 HydrophobicContact CB-CE 3.84Å; W155-M207 HydrophobicContact CD2-CB 4.15Å; W155-M207 HydrophobicContact CD2-CE 3.58Å; W155-M207 HydrophobicContact CE3-CB 4.25Å; W155-M207 HydrophobicContact CE3-CE 3.52Å; W155-M207 HydrophobicContact CE3-CG 4.22Å; W155-M207 HydrophobicContact CG-CE 3.79Å; W155-M207 HydrophobicContact CH2-CB 3.71Å; W155-M207 HydrophobicContact CH2-CG 4.11Å; W155-M207 HydrophobicContact CZ2-CB 3.6Å; W155-M207 HydrophobicContact CZ2-CG 4.45Å; W155-M207 HydrophobicContact CZ3-CB 4.05Å; W155-M207 HydrophobicContact CZ3-CE 4.24Å; W155-M207 HydrophobicContact CZ3-CG 4Å; K158-M207 HydrophobicContact CB-CE 3.72Å; K158-M207 HydrophobicContact CB-SD 4.38Å; K158-M207 HydrophobicContact CD-CE 4.26Å; K158-M207 WeakPolarHBondContact CD-O 3.27Å; K158-M207 PolarHBondContact NZ-O 2.95Å; V159-M207 HydrophobicContact CG2-CE 3.74Å; I162-M207 HydrophobicContact CD1-SD 4.46Å; I182-M207 HydrophobicContact CD1-CE 4.11Å; I182-M207 HydrophobicContact CD1-SD 4.42Å; V203-M207 HydrophobicContact CG1-CG 4.25Å; V203-M207 WeakPolarHBondContact O-CG 3.44Å; V203-M207 PolarHBondContact O-N 3.14Å; A204-M207 CarbonylContact O-C 3.55Å; A204-M207 PolarHBondContact O-N 3.03Å; A204-M207 VanDerWaalsContact O-N 3.15Å; G205-M207 VanDerWaalsContact C-N 3.33Å; G205-M207 PolarHBondContact O-N 3.28Å; M207-L216 HydrophobicContact SD-CD2 4.27Å; M207-L219 HydrophobicContact SD-CD1 4Å |
| 208 | M | 84 | Confident | 82.8 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -95.4 | -27 | 177 | -70.4 | -177.4 | -125.9 | 0 | 0 | 114.4 | Y49 G53 A204 G205 L206 | Y49-M208 WeakPolarHBondContact O-CE 3.49Å; G53-M208 PolarHBondContact N-SD 3.05Å; A204-M208 HydrophobicContact CB-CE 3.67Å; A204-M208 WeakPolarHBondContact O-CG 3.37Å; A204-M208 PolarHBondContact O-N 3.04Å; G205-M208 PolarHBondContact O-N 3.49Å; L206-M208 VanDerWaalsContact C-N 3.3Å; L206-M208 PolarHBondContact O-N 3.42Å |
| 209 | R | 82.7 | Confident | 83.5 | Confident | 167 Ų | 167 | 53.5 Ų | 53.5 | 63% | 0.63 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -58.4 | 141.4 | -178.9 | -80.8 | 171 | -169.9 | -163.4 | 2.3 | 113.5 | K158 G205 | K158-R209 WeakPolarHBondContact CE-O 3.27Å; K158-R209 PolarHBondContact NZ-O 3.39Å; G205-R209 VanDerWaalsContact O-CG 3.27Å; G205-R209 WeakPolarHBondContact O-CG 3.44Å; G205-R209 PolarHBondContact O-N 3.15Å |
| 210 | Q | 73.3 | Confident | 84 | Confident | 195 Ų | 195 | 53.7 Ų | 53.7 | 91% | 0.911 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -70.7 | 133.9 | 171.6 | -68.4 | -72.6 | -22.3 | 0 | 0 | 110.2 | ||
| 211 | G | 70.3 | Confident | 84.6 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 98.7 | 167.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 212 | N | 64.5 | Low | 85.3 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | trans | -100.6 | 96.1 | -179.8 | -66.5 | -21.6 | 0 | 0 | 0 | 108.6 | L161 | L161-N212 HydrophobicContact CD1-CB 3.68Å; L161-N212 WeakPolarHBondContact CD1-ND2 3.25Å; L161-N212 WeakPolarHBondContact CD1-OD1 3.49Å | ||
| 213 | S | 66.2 | Low | 85.8 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | trans | -85.5 | 142.8 | 177 | 79.8 | 0 | 0 | 0 | 0 | 110.7 | T215 L216 | S213-T215 PolarHBondContact O-N 2.63Å; S213-T215 PolarHBondContact OG-N 3.16Å; S213-T215 PolarHBondContact OG-OG1 2.6Å; S213-L216 PolarHBondContact O-N 2.78Å | ||
| 214 | D | 74.1 | Confident | 86 | Confident | 145 Ų | 145 | 49.9 Ų | 49.9 | 78% | 0.775 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -52 | -20.1 | 171.2 | -65.4 | -31.4 | 0 | 0 | 0 | 113.3 | L216 N217 | D214-L216 PolarHBondContact O-N 3.15Å; D214-N217 PolarHBondContact O-N 3.4Å |
| 215 | T | 83.5 | Confident | 86.3 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 41% | 0.405 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -68.7 | -12.4 | 177.6 | 72.5 | 0 | 0 | 0 | 0 | 114.2 | L206 S213 N217 S218 | L206-T215 WeakPolarHBondContact CD2-OG1 3.37Å; S213-T215 PolarHBondContact O-N 2.63Å; S213-T215 PolarHBondContact OG-N 3.16Å; S213-T215 PolarHBondContact OG-OG1 2.6Å; T215-N217 PolarHBondContact O-N 2.99Å; T215-S218 WeakPolarHBondContact O-CB 3.37Å; T215-S218 PolarHBondContact O-N 3.3Å; T215-S218 PolarHBondContact O-OG 3.48Å |
| 216 | L | 88.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -62.9 | -25.8 | 172.3 | -67.7 | 178.4 | 0 | 0 | 0 | 112.5 | K158 L161 M207 S213 D214 S218 L219 | K158-L216 HydrophobicContact CB-CD1 4.3Å; L161-L216 HydrophobicContact CB-CD1 4.05Å; L161-L216 HydrophobicContact CD1-CD1 4.04Å; M207-L216 HydrophobicContact SD-CD2 4.27Å; S213-L216 PolarHBondContact O-N 2.78Å; D214-L216 PolarHBondContact O-N 3.15Å; L216-S218 PolarHBondContact O-N 3.47Å; L216-L219 HydrophobicContact CD2-CD1 3.72Å; L216-L219 WeakPolarHBondContact O-CB 3.44Å; L216-L219 PolarHBondContact O-N 2.85Å |
| 217 | N | 87.9 | Confident | 86.9 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 49% | 0.492 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -66.1 | -16.2 | 172.9 | -70.4 | -40.9 | 0 | 0 | 0 | 113.2 | S163 Q185 D214 T215 L219 | S163-N217 PolarHBondContact OG-OD1 3.34Å; Q185-N217 PolarHBondContact NE2-O 3.49Å; D214-N217 PolarHBondContact O-N 3.4Å; T215-N217 PolarHBondContact O-N 2.99Å; N217-L219 VanDerWaalsContact C-N 3.25Å |
| 218 | S | 92.5 | Very high | 86.8 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -82 | -4.4 | 172.3 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | L184 Q185 T215 L216 | L184-S218 WeakPolarHBondContact CD1-OG 3.44Å; Q185-S218 VanDerWaalsContact CB-O 3.31Å; Q185-S218 WeakPolarHBondContact CB-O 3.5Å; Q185-S218 WeakPolarHBondContact CG-O 3.33Å; Q185-S218 PolarHBondContact N-O 3.17Å; T215-S218 WeakPolarHBondContact O-CB 3.37Å; T215-S218 PolarHBondContact O-N 3.3Å; T215-S218 PolarHBondContact O-OG 3.48Å; L216-S218 PolarHBondContact O-N 3.47Å |
| 219 | L | 96.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 152.5 | 176.9 | -56.8 | -177.3 | 0 | 0 | 0 | 110.8 | I162 I182 F183 L184 Q185 V203 L206 M207 L216 N217 | I162-L219 HydrophobicContact CD1-CB 4.1Å; I162-L219 HydrophobicContact CD1-CD1 4.05Å; I162-L219 HydrophobicContact CG1-CB 4.27Å; I162-L219 HydrophobicContact CG1-CD1 4.49Å; I162-L219 HydrophobicContact CG2-CB 4.15Å; I162-L219 WeakPolarHBondContact CG2-O 3.45Å; I182-L219 HydrophobicContact CG2-CB 4.07Å; I182-L219 HydrophobicContact CG2-CD1 3.98Å; I182-L219 HydrophobicContact CG2-CG 4.44Å; F183-L219 CarbonylContact O-C 3.48Å; F183-L219 VanDerWaalsContact O-CA 3.28Å; F183-L219 WeakPolarHBondContact O-CA 3.47Å; L184-L219 HydrophobicContact CB-CD2 4.46Å; L184-L219 HydrophobicContact CD1-CD2 4.16Å; Q185-L219 PolarHBondContact NE2-O 3.19Å; V203-L219 HydrophobicContact CB-CD2 4.43Å; V203-L219 HydrophobicContact CG1-CD1 4.38Å; V203-L219 HydrophobicContact CG1-CD2 4.06Å; V203-L219 HydrophobicContact CG2-CD2 3.9Å; L206-L219 HydrophobicContact CB-CD1 4.49Å; L206-L219 HydrophobicContact CD1-CD1 4.45Å; L206-L219 HydrophobicContact CD1-CD2 3.94Å; L206-L219 HydrophobicContact CD1-CG 4.36Å; M207-L219 HydrophobicContact SD-CD1 4Å; L216-L219 HydrophobicContact CD2-CD1 3.72Å; L216-L219 WeakPolarHBondContact O-CB 3.44Å; L216-L219 PolarHBondContact O-N 2.85Å; N217-L219 VanDerWaalsContact C-N 3.25Å |
| 220 | A | 97.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 177.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | A164 I182 F183 Q185 | A164-A220 HydrophobicContact CB-CB 3.76Å; I182-A220 CarbonylContact C-O 3.58Å; I182-A220 WeakPolarHBondContact CA-O 3.31Å; F183-A220 HydrophobicContact CD2-CB 4.46Å; F183-A220 HydrophobicContact CE1-CB 3.87Å; F183-A220 HydrophobicContact CE2-CB 3.73Å; F183-A220 HydrophobicContact CZ-CB 3.4Å; F183-A220 PolarHBondContact N-O 2.82Å; F183-A220 PolarHBondContact O-N 3.03Å; Q185-A220 HydrophobicContact CG-CB 3.6Å |
| 221 | V | 97.9 | Very high | 88.4 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.9 | -178.5 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | V131 L133 V165 E181 F245 | V131-V221 HydrophobicContact CG1-CG2 4.34Å; L133-V221 HydrophobicContact CD1-CG2 4.47Å; V165-V221 HydrophobicContact CG2-CB 4.24Å; V165-V221 HydrophobicContact CG2-CG1 3.89Å; E181-V221 CarbonylContact O-C 3.54Å; E181-V221 WeakPolarHBondContact O-CA 3.34Å; V221-F245 HydrophobicContact CG1-CD1 3.93Å; V221-F245 HydrophobicContact CG1-CE1 3.77Å |
| 222 | F | 98.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 108.3 | 169.7 | -174.3 | -87.2 | 0 | 0 | 0 | 108.8 | Q123 P124 V126 G180 E181 F183 W224 L247 F275 | Q123-F222 HydrophobicContact CB-CE1 4.48Å; Q123-F222 HydrophobicContact CB-CZ 4.44Å; P124-F222 HydrophobicContact CG-CE2 4.25Å; P124-F222 HydrophobicContact CG-CZ 4.22Å; V126-F222 HydrophobicContact CG2-CB 3.94Å; V126-F222 HydrophobicContact CG2-CD1 4.09Å; V126-F222 HydrophobicContact CG2-CD2 4.09Å; V126-F222 HydrophobicContact CG2-CG 3.76Å; G180-F222 CarbonylContact C-O 3.58Å; G180-F222 WeakPolarHBondContact CA-O 3.43Å; E181-F222 PolarHBondContact N-O 2.77Å; E181-F222 PolarHBondContact O-N 3.37Å; F183-F222 HydrophobicContact CD1-CB 4.16Å; F183-F222 HydrophobicContact CE1-CB 3.96Å; F222-W224 HydrophobicContact CD1-CB 4.18Å; F222-W224 HydrophobicContact CE1-CB 4.15Å; F222-W224 PolarHBondContact O-N 3.32Å; F222-L247 HydrophobicContact CD2-CB 3.89Å; F222-L247 HydrophobicContact CE2-CB 4.29Å; F222-F275 HydrophobicContact CD2-CE1 4.39Å |
| 223 | V | 98.2 | Very high | 91 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 115.6 | 178.2 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | L178 L240 F245 T248 | L178-V223 HydrophobicContact CB-CG1 4.1Å; L178-V223 HydrophobicContact CD1-CG1 4.46Å; L178-V223 HydrophobicContact CD1-CG2 4.31Å; L178-V223 HydrophobicContact CD2-CG1 4.48Å; V223-L240 HydrophobicContact CB-CD2 4.36Å; V223-L240 HydrophobicContact CG1-CD1 4.2Å; V223-L240 HydrophobicContact CG1-CD2 3.87Å; V223-F245 HydrophobicContact CG2-CB 4.25Å; V223-F245 HydrophobicContact CG2-CD1 3.51Å; V223-F245 HydrophobicContact CG2-CD2 4.28Å; V223-F245 HydrophobicContact CG2-CE1 3.79Å; V223-F245 HydrophobicContact CG2-CG 3.76Å; V223-F245 HydrophobicContact CG2-CZ 4.27Å; V223-T248 PolarHBondContact N-OG1 2.7Å; V223-T248 WeakPolarHBondContact O-CB 3.29Å; V223-T248 WeakPolarHBondContact O-CG2 3.19Å; V223-T248 PolarHBondContact O-OG1 3.5Å |
| 224 | W | 95.5 | Very high | 92.4 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -19 | -180 | 50.9 | -106.4 | 0 | 0 | 0 | 112.7 | H98 Q179 G180 F222 R283 | H98-W224 AromaticContact CE1-CZ2 3.85Å; H98-W224 AromaticContact ND1-CH2 3.84Å; H98-W224 AromaticContact ND1-CZ2 3.71Å; Q179-W224 HydrophobicContact CB-CD2 4.46Å; Q179-W224 HydrophobicContact CB-CE3 4.29Å; Q179-W224 HydrophobicContact CB-CH2 3.37Å; Q179-W224 HydrophobicContact CB-CZ2 3.58Å; Q179-W224 HydrophobicContact CB-CZ3 3.76Å; Q179-W224 HydrophobicContact CG-CH2 4.16Å; Q179-W224 PolarHBondContact O-N 2.77Å; Q179-W224 VanDerWaalsContact OE1-CZ3 3.31Å; G180-W224 VanDerWaalsContact C-CD1 3.47Å; G180-W224 VanDerWaalsContact CA-CD1 3.47Å; G180-W224 VanDerWaalsContact CA-NE1 3.34Å; G180-W224 PolarHBondContact O-NE1 2.95Å; F222-W224 HydrophobicContact CD1-CB 4.18Å; F222-W224 HydrophobicContact CE1-CB 4.15Å; F222-W224 PolarHBondContact O-N 3.32Å; W224-R283 PolarHBondContact O-NH1 3.23Å |
| 225 | A | 95.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q179 W293 | Q179-A225 HydrophobicContact CB-CB 4.34Å; Q179-A225 PolarHBondContact N-O 3.05Å; Q179-A225 PolarHBondContact O-N 2.97Å; A225-W293 HydrophobicContact CB-CH2 4.36Å |
| 226 | W | 95.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | trans | -133.1 | 89.8 | 168.5 | -179.2 | 5.5 | 0 | 0 | 0 | 106.7 | P172 L173 L178 D228 G229 P230 E239 L240 | P172-W226 HydrophobicContact CB-CH2 3.92Å; P172-W226 HydrophobicContact CB-CZ2 4.1Å; L173-W226 HydrophobicContact CD1-CH2 3.27Å; L173-W226 HydrophobicContact CD1-CZ2 4.02Å; L173-W226 HydrophobicContact CD1-CZ3 3.59Å; L173-W226 HydrophobicContact CG-CH2 3.67Å; L173-W226 HydrophobicContact CG-CZ2 3.92Å; L173-W226 HydrophobicContact CG-CZ3 4.05Å; L178-W226 HydrophobicContact CD2-CB 3.78Å; L178-W226 HydrophobicContact CD2-CD2 3.95Å; L178-W226 HydrophobicContact CD2-CG 3.52Å; W226-D228 PolarHBondContact NE1-OD1 2.77Å; W226-D228 PolarHBondContact O-N 3.04Å; W226-G229 VanDerWaalsContact CD2-CA 3.44Å; W226-G229 PolarHBondContact O-N 3.46Å; W226-G229 VanDerWaalsContact O-N 3.1Å; W226-P230 HydrophobicContact CH2-CG 4.45Å; W226-P230 HydrophobicContact CZ3-CG 4.35Å; W226-E239 HydrophobicContact CH2-CB 4.27Å; W226-E239 HydrophobicContact CZ3-CB 3.81Å; W226-L240 HydrophobicContact CE3-CD2 4.34Å; W226-L240 HydrophobicContact CE3-CG 4.15Å | ||
| 227 | P | 92.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 13% | 0.13 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -25.6 | -165.8 | -22.3 | 35.1 | 0 | 0 | 0 | 114.4 | V96 T177 W293 | V96-P227 HydrophobicContact CB-CG 4.28Å; V96-P227 HydrophobicContact CG1-CB 3.98Å; V96-P227 HydrophobicContact CG1-CG 3.86Å; V96-P227 HydrophobicContact CG2-CB 4.2Å; V96-P227 HydrophobicContact CG2-CG 4.3Å; T177-P227 WeakPolarHBondContact O-CD 3.22Å; P227-W293 HydrophobicContact CB-CH2 3.78Å; P227-W293 HydrophobicContact CB-CZ2 4.21Å; P227-W293 HydrophobicContact CB-CZ3 4.01Å; P227-W293 HydrophobicContact CG-CE3 4.48Å; P227-W293 HydrophobicContact CG-CH2 3.79Å; P227-W293 HydrophobicContact CG-CZ3 3.68Å |
| 228 | D | 88 | Confident | 94.9 | Very high | 85 Ų | 85 | 39.4 Ų | 39.4 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 17.2 | 177.1 | 56.9 | -16.4 | 0 | 0 | 0 | 113.1 | W226 | W226-D228 PolarHBondContact NE1-OD1 2.77Å; W226-D228 PolarHBondContact O-N 3.04Å |
| 229 | G | 92.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -79.1 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W226 | W226-G229 VanDerWaalsContact CD2-CA 3.44Å; W226-G229 PolarHBondContact O-N 3.46Å; W226-G229 VanDerWaalsContact O-N 3.1Å |
| 230 | P | 92.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 23% | 0.234 | 21% | 0.209 | C | C | . | . | trans | -48.8 | 148 | 175.3 | -28.2 | 33.2 | 0 | 0 | 0 | 113.2 | W226 D235 R236 | W226-P230 HydrophobicContact CH2-CG 4.45Å; W226-P230 HydrophobicContact CZ3-CG 4.35Å; P230-D235 HydrophobicContact CB-CB 3.8Å; P230-D235 HydrophobicContact CG-CB 4.28Å; P230-R236 HydrophobicContact CB-CG 4.17Å; P230-R236 HydrophobicContact CG-CG 4.42Å; P230-R236 VanDerWaalsContact O-CG 3.27Å; P230-R236 WeakPolarHBondContact O-CG 3.24Å; P230-R236 VanDerWaalsContact O-CZ 3.25Å; P230-R236 PolarHBondContact O-NE 3.1Å; P230-R236 PolarHBondContact O-NH2 2.56Å; P230-R236 VanDerWaalsContact O-NH2 3.07Å | ||
| 231 | Q | 89.7 | Confident | 95.1 | Very high | 149 Ų | 149 | 41.1 Ų | 41.1 | 70% | 0.696 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -67.5 | -39.9 | 179.9 | -74.1 | -68 | -24.8 | 0 | 0 | 112.6 | ||
| 232 | L | 94 | Very high | 95 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 52% | 0.518 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -76.5 | 126.9 | 178.7 | -67 | 174.1 | 0 | 0 | 0 | 110.5 | T234 D235 R236 | L232-T234 PolarHBondContact O-N 2.94Å; L232-D235 HydrophobicContact CB-CB 4.34Å; L232-D235 PolarHBondContact O-N 3.45Å; L232-D235 VanDerWaalsContact O-N 3.14Å; L232-R236 PolarHBondContact O-N 2.85Å; L232-R236 VanDerWaalsContact O-N 3.1Å |
| 233 | M | 94.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -38.4 | 177.5 | -176 | 61.2 | 67.4 | 0 | 0 | 111.6 | W121 D235 R236 L237 R283 | W121-M233 HydrophobicContact CD2-CB 3.98Å; W121-M233 HydrophobicContact CD2-CG 3.51Å; W121-M233 VanDerWaalsContact CE2-CB 3.45Å; W121-M233 HydrophobicContact CE3-CG 3.84Å; W121-M233 HydrophobicContact CG-CB 4.43Å; W121-M233 HydrophobicContact CG-CE 4.42Å; W121-M233 HydrophobicContact CG-CG 3.91Å; W121-M233 HydrophobicContact CH2-CB 4.2Å; W121-M233 HydrophobicContact CH2-CG 4.18Å; W121-M233 HydrophobicContact CZ2-CB 3.61Å; W121-M233 HydrophobicContact CZ2-CG 3.93Å; W121-M233 HydrophobicContact CZ3-CG 4.14Å; M233-D235 VanDerWaalsContact C-N 3.26Å; M233-D235 PolarHBondContact O-N 2.88Å; M233-R236 WeakPolarHBondContact O-CB 3.45Å; M233-R236 PolarHBondContact O-N 3.07Å; M233-R236 HydrophobicContact SD-CB 4.44Å; M233-L237 HydrophobicContact CG-CD1 4.13Å; M233-L237 HydrophobicContact CG-CG 4.16Å; M233-L237 VanDerWaalsContact O-CG 3.24Å; M233-L237 WeakPolarHBondContact O-CG 3.42Å; M233-L237 PolarHBondContact O-N 3.08Å; M233-L237 HydrophobicContact SD-CD2 4.26Å; M233-L237 HydrophobicContact SD-CG 4.24Å; M233-R283 HydrophobicContact CE-CG 4.45Å |
| 234 | T | 95.8 | Very high | 94.8 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57 | -40.7 | 177.5 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | W121 L232 L237 K238 | W121-T234 HydrophobicContact CH2-CG2 3.9Å; W121-T234 HydrophobicContact CZ2-CG2 4.44Å; L232-T234 PolarHBondContact O-N 2.94Å; T234-L237 PolarHBondContact O-N 3.36Å; T234-K238 WeakPolarHBondContact O-CB 3.27Å; T234-K238 PolarHBondContact O-N 2.9Å; T234-K238 VanDerWaalsContact O-N 3.08Å |
| 235 | D | 95.9 | Very high | 94.9 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.7 | -43.8 | 179 | -61.7 | -15.9 | 0 | 0 | 0 | 110.2 | P230 L232 M233 L237 K238 E239 | P230-D235 HydrophobicContact CB-CB 3.8Å; P230-D235 HydrophobicContact CG-CB 4.28Å; L232-D235 HydrophobicContact CB-CB 4.34Å; L232-D235 PolarHBondContact O-N 3.45Å; L232-D235 VanDerWaalsContact O-N 3.14Å; M233-D235 VanDerWaalsContact C-N 3.26Å; M233-D235 PolarHBondContact O-N 2.88Å; D235-L237 VanDerWaalsContact C-N 3.31Å; D235-L237 PolarHBondContact O-N 2.67Å; D235-K238 PolarHBondContact O-N 3.39Å; D235-E239 WeakPolarHBondContact O-CB 3.37Å; D235-E239 WeakPolarHBondContact O-CG 3.48Å; D235-E239 PolarHBondContact O-N 2.92Å |
| 236 | R | 96 | Very high | 95 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.2 | -50.2 | 172.4 | -68.9 | -177.2 | -173.6 | 157.3 | 14.4 | 111.4 | P230 L232 M233 K238 E239 L240 E287 | P230-R236 HydrophobicContact CB-CG 4.17Å; P230-R236 HydrophobicContact CG-CG 4.42Å; P230-R236 VanDerWaalsContact O-CG 3.27Å; P230-R236 WeakPolarHBondContact O-CG 3.24Å; P230-R236 VanDerWaalsContact O-CZ 3.25Å; P230-R236 PolarHBondContact O-NE 3.1Å; P230-R236 PolarHBondContact O-NH2 2.56Å; P230-R236 VanDerWaalsContact O-NH2 3.07Å; L232-R236 PolarHBondContact O-N 2.85Å; L232-R236 VanDerWaalsContact O-N 3.1Å; M233-R236 WeakPolarHBondContact O-CB 3.45Å; M233-R236 PolarHBondContact O-N 3.07Å; M233-R236 HydrophobicContact SD-CB 4.44Å; R236-K238 PolarHBondContact O-N 3.06Å; R236-E239 PolarHBondContact O-N 3.26Å; R236-L240 VanDerWaalsContact O-CB 3.31Å; R236-L240 WeakPolarHBondContact O-CB 3.4Å; R236-L240 VanDerWaalsContact O-CG 3.24Å; R236-L240 WeakPolarHBondContact O-CG 3.03Å; R236-L240 PolarHBondContact O-N 2.96Å; R236-E287 IonicContact NH1-OE2 3.62Å |
| 237 | L | 96.7 | Very high | 95 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | -177.4 | -65.2 | 178.4 | 0 | 0 | 0 | 111.8 | W121 M233 T234 D235 A241 T248 Q249 T252 | W121-L237 HydrophobicContact CZ3-CD1 4.18Å; M233-L237 HydrophobicContact CG-CD1 4.13Å; M233-L237 HydrophobicContact CG-CG 4.16Å; M233-L237 VanDerWaalsContact O-CG 3.24Å; M233-L237 WeakPolarHBondContact O-CG 3.42Å; M233-L237 PolarHBondContact O-N 3.08Å; M233-L237 HydrophobicContact SD-CD2 4.26Å; M233-L237 HydrophobicContact SD-CG 4.24Å; T234-L237 PolarHBondContact O-N 3.36Å; D235-L237 VanDerWaalsContact C-N 3.31Å; D235-L237 PolarHBondContact O-N 2.67Å; L237-A241 WeakPolarHBondContact O-CB 3.23Å; L237-A241 PolarHBondContact O-N 3.24Å; L237-T248 HydrophobicContact CD2-CG2 3.68Å; L237-Q249 HydrophobicContact CB-CB 4.18Å; L237-Q249 HydrophobicContact CB-CG 4.12Å; L237-T252 HydrophobicContact CD1-CG2 3.92Å; L237-T252 HydrophobicContact CD2-CG2 4Å |
| 238 | K | 96.8 | Very high | 95.2 | Very high | 127 Ų | 127 | 49.9 Ų | 49.9 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.4 | -46.2 | 178.9 | -178.3 | -178.1 | 170.3 | -173.7 | 0 | 111.8 | T234 D235 R236 A241 T242 | T234-K238 WeakPolarHBondContact O-CB 3.27Å; T234-K238 PolarHBondContact O-N 2.9Å; T234-K238 VanDerWaalsContact O-N 3.08Å; D235-K238 PolarHBondContact O-N 3.39Å; R236-K238 PolarHBondContact O-N 3.06Å; K238-A241 PolarHBondContact O-N 3.48Å; K238-T242 WeakPolarHBondContact O-CB 3.22Å; K238-T242 PolarHBondContact O-N 3.37Å; K238-T242 PolarHBondContact O-OG1 3.12Å |
| 239 | E | 96.9 | Very high | 95.7 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 29% | 0.29 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 178.9 | -70.4 | -64 | 155.6 | 0 | 0 | 111.4 | L173 W226 D235 R236 A241 T242 A243 | L173-E239 HydrophobicContact CD1-CB 4.02Å; W226-E239 HydrophobicContact CH2-CB 4.27Å; W226-E239 HydrophobicContact CZ3-CB 3.81Å; D235-E239 WeakPolarHBondContact O-CB 3.37Å; D235-E239 WeakPolarHBondContact O-CG 3.48Å; D235-E239 PolarHBondContact O-N 2.92Å; R236-E239 PolarHBondContact O-N 3.26Å; E239-A241 VanDerWaalsContact C-N 3.35Å; E239-A241 PolarHBondContact O-N 3.45Å; E239-T242 PolarHBondContact O-N 3.42Å; E239-A243 PolarHBondContact O-N 2.81Å |
| 240 | L | 97.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 173.9 | -76.9 | 169.4 | 0 | 0 | 0 | 111.9 | L173 L178 V223 W226 R236 T242 A243 G244 F245 T248 | L173-L240 HydrophobicContact CD2-CD2 4.14Å; L178-L240 HydrophobicContact CD1-CD2 4.19Å; L178-L240 HydrophobicContact CD2-CD2 4.12Å; V223-L240 HydrophobicContact CB-CD2 4.36Å; V223-L240 HydrophobicContact CG1-CD1 4.2Å; V223-L240 HydrophobicContact CG1-CD2 3.87Å; W226-L240 HydrophobicContact CE3-CD2 4.34Å; W226-L240 HydrophobicContact CE3-CG 4.15Å; R236-L240 VanDerWaalsContact O-CB 3.31Å; R236-L240 WeakPolarHBondContact O-CB 3.4Å; R236-L240 VanDerWaalsContact O-CG 3.24Å; R236-L240 WeakPolarHBondContact O-CG 3.03Å; R236-L240 PolarHBondContact O-N 2.96Å; L240-T242 VanDerWaalsContact C-N 3.34Å; L240-T242 PolarHBondContact O-N 2.8Å; L240-A243 PolarHBondContact O-N 2.85Å; L240-G244 PolarHBondContact O-N 3.38Å; L240-F245 HydrophobicContact CB-CB 4.22Å; L240-F245 HydrophobicContact CD2-CB 4.39Å; L240-F245 HydrophobicContact CD2-CD2 3.94Å; L240-F245 HydrophobicContact CD2-CG 4.47Å; L240-F245 WeakPolarHBondContact O-CA 3.46Å; L240-F245 WeakPolarHBondContact O-CB 3.4Å; L240-F245 PolarHBondContact O-N 3.04Å; L240-T248 HydrophobicContact CD1-CG2 4.02Å |
| 241 | A | 97 | Very high | 96.1 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L237 K238 E239 A243 G244 Q249 | L237-A241 WeakPolarHBondContact O-CB 3.23Å; L237-A241 PolarHBondContact O-N 3.24Å; K238-A241 PolarHBondContact O-N 3.48Å; E239-A241 VanDerWaalsContact C-N 3.35Å; E239-A241 PolarHBondContact O-N 3.45Å; A241-A243 VanDerWaalsContact C-N 3.27Å; A241-A243 PolarHBondContact O-N 3.15Å; A241-G244 PolarHBondContact O-N 3.34Å; A241-Q249 HydrophobicContact CB-CB 4Å |
| 242 | T | 96.1 | Very high | 96.5 | Very high | 105 Ų | 105 | 50.3 Ų | 50.3 | 64% | 0.644 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.4 | -35.9 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | K238 E239 L240 G244 | K238-T242 WeakPolarHBondContact O-CB 3.22Å; K238-T242 PolarHBondContact O-N 3.37Å; K238-T242 PolarHBondContact O-OG1 3.12Å; E239-T242 PolarHBondContact O-N 3.42Å; L240-T242 VanDerWaalsContact C-N 3.34Å; L240-T242 PolarHBondContact O-N 2.8Å; T242-G244 PolarHBondContact O-N 3.25Å |
| 243 | A | 96 | Very high | 96.7 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -4.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P166 V169 L173 E239 L240 A241 F245 | P166-A243 WeakPolarHBondContact CG-O 3.42Å; V169-A243 HydrophobicContact CG1-CB 4.23Å; L173-A243 HydrophobicContact CD1-CB 4.36Å; L173-A243 HydrophobicContact CD2-CB 3.62Å; E239-A243 PolarHBondContact O-N 2.81Å; L240-A243 PolarHBondContact O-N 2.85Å; A241-A243 VanDerWaalsContact C-N 3.27Å; A241-A243 PolarHBondContact O-N 3.15Å; A243-F245 HydrophobicContact CB-CD2 4.33Å |
| 244 | G | 96.1 | Very high | 96.9 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.3 | -8.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L240 A241 T242 T246 | L240-G244 PolarHBondContact O-N 3.38Å; A241-G244 PolarHBondContact O-N 3.34Å; T242-G244 PolarHBondContact O-N 3.25Å; G244-T246 PolarHBondContact O-N 3.11Å |
| 245 | F | 96.8 | Very high | 97 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | trans | -82 | 58.7 | 176.7 | -58.3 | -70 | 0 | 0 | 0 | 112.2 | L133 Y135 P166 L173 L178 V221 V223 L240 A243 L247 T248 | L133-F245 HydrophobicContact CD1-CE1 4.23Å; L133-F245 HydrophobicContact CD1-CZ 4.16Å; Y135-F245 HydrophobicContact CE2-CZ 4.28Å; P166-F245 VanDerWaalsContact CD-CE1 3.42Å; P166-F245 VanDerWaalsContact CD-CZ 3.47Å; P166-F245 HydrophobicContact CG-CE1 4.15Å; P166-F245 HydrophobicContact CG-CE2 4.17Å; P166-F245 HydrophobicContact CG-CZ 3.94Å; L173-F245 HydrophobicContact CD2-CD2 4.38Å; L173-F245 HydrophobicContact CD2-CE2 4.25Å; L178-F245 HydrophobicContact CD1-CD2 4.11Å; L178-F245 HydrophobicContact CD1-CE2 3.43Å; L178-F245 VanDerWaalsContact CD1-CE2 3.43Å; L178-F245 HydrophobicContact CD1-CZ 3.8Å; V221-F245 HydrophobicContact CG1-CD1 3.93Å; V221-F245 HydrophobicContact CG1-CE1 3.77Å; V223-F245 HydrophobicContact CG2-CB 4.25Å; V223-F245 HydrophobicContact CG2-CD1 3.51Å; V223-F245 HydrophobicContact CG2-CD2 4.28Å; V223-F245 HydrophobicContact CG2-CE1 3.79Å; V223-F245 HydrophobicContact CG2-CG 3.76Å; V223-F245 HydrophobicContact CG2-CZ 4.27Å; L240-F245 HydrophobicContact CB-CB 4.22Å; L240-F245 HydrophobicContact CD2-CB 4.39Å; L240-F245 HydrophobicContact CD2-CD2 3.94Å; L240-F245 HydrophobicContact CD2-CG 4.47Å; L240-F245 WeakPolarHBondContact O-CA 3.46Å; L240-F245 WeakPolarHBondContact O-CB 3.4Å; L240-F245 PolarHBondContact O-N 3.04Å; A243-F245 HydrophobicContact CB-CD2 4.33Å; F245-L247 VanDerWaalsContact C-N 3.32Å; F245-L247 PolarHBondContact O-N 2.85Å; F245-T248 PolarHBondContact O-N 2.77Å | ||
| 246 | T | 96.7 | Very high | 97 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67 | -27.2 | -169.8 | 60 | 0 | 0 | 0 | 0 | 114.5 | G244 T248 Q249 R250 | G244-T246 PolarHBondContact O-N 3.11Å; T246-T248 VanDerWaalsContact C-N 3.31Å; T246-T248 PolarHBondContact O-N 2.81Å; T246-Q249 PolarHBondContact O-N 2.83Å; T246-R250 PolarHBondContact O-N 2.89Å; T246-R250 VanDerWaalsContact O-N 3.15Å |
| 247 | L | 97.1 | Very high | 97 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | -178.3 | -65.5 | 176.8 | 0 | 0 | 0 | 112.3 | F183 F222 F245 Q249 R250 Y251 P274 F275 | F183-L247 HydrophobicContact CE1-CD1 3.92Å; F183-L247 HydrophobicContact CZ-CD1 3.58Å; F222-L247 HydrophobicContact CD2-CB 3.89Å; F222-L247 HydrophobicContact CE2-CB 4.29Å; F245-L247 VanDerWaalsContact C-N 3.32Å; F245-L247 PolarHBondContact O-N 2.85Å; L247-Q249 PolarHBondContact O-N 2.83Å; L247-R250 PolarHBondContact O-N 3.42Å; L247-Y251 HydrophobicContact CD2-CD2 4.41Å; L247-Y251 HydrophobicContact CD2-CE2 3.97Å; L247-Y251 WeakPolarHBondContact O-CD2 3.06Å; L247-Y251 PolarHBondContact O-N 3.21Å; L247-P274 HydrophobicContact CD2-CG 4.34Å; L247-F275 HydrophobicContact CD1-CE1 4.48Å |
| 248 | T | 96.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | -179 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | V223 L237 L240 F245 T246 T252 | V223-T248 PolarHBondContact N-OG1 2.7Å; V223-T248 WeakPolarHBondContact O-CB 3.29Å; V223-T248 WeakPolarHBondContact O-CG2 3.19Å; V223-T248 PolarHBondContact O-OG1 3.5Å; L237-T248 HydrophobicContact CD2-CG2 3.68Å; L240-T248 HydrophobicContact CD1-CG2 4.02Å; F245-T248 PolarHBondContact O-N 2.77Å; T246-T248 VanDerWaalsContact C-N 3.31Å; T246-T248 PolarHBondContact O-N 2.81Å; T248-T252 VanDerWaalsContact O-CB 3.23Å; T248-T252 WeakPolarHBondContact O-CB 3.07Å; T248-T252 PolarHBondContact O-N 3.23Å; T248-T252 VanDerWaalsContact O-N 3.11Å; T248-T252 PolarHBondContact O-OG1 2.88Å |
| 249 | Q | 97.4 | Very high | 97.1 | Very high | 91 Ų | 91 | 53.5 Ų | 53.5 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 176 | -175 | -179.4 | 43.1 | 0 | 0 | 112 | L237 A241 T246 L247 Y251 | L237-Q249 HydrophobicContact CB-CB 4.18Å; L237-Q249 HydrophobicContact CB-CG 4.12Å; A241-Q249 HydrophobicContact CB-CB 4Å; T246-Q249 PolarHBondContact O-N 2.83Å; L247-Q249 PolarHBondContact O-N 2.83Å; Q249-Y251 VanDerWaalsContact C-N 3.29Å; Q249-Y251 PolarHBondContact O-N 3.31Å |
| 250 | R | 97.3 | Very high | 97.2 | Very high | 160 Ų | 160 | 52.7 Ų | 52.7 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.6 | -34.7 | -177.3 | -174.8 | 175.3 | -67.1 | 170.6 | 1.5 | 113.3 | T246 L247 | T246-R250 PolarHBondContact O-N 2.89Å; T246-R250 VanDerWaalsContact O-N 3.15Å; L247-R250 PolarHBondContact O-N 3.42Å |
| 251 | Y | 97.7 | Very high | 97.2 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -115.1 | 12.5 | -172.1 | -63.7 | -73.6 | 0 | 0 | 0 | 114.5 | P124 L247 Q249 W268 L273 P274 F275 | P124-Y251 WeakPolarHBondContact CD-O 3.07Å; P124-Y251 HydrophobicContact CG-CG 4.38Å; L247-Y251 HydrophobicContact CD2-CD2 4.41Å; L247-Y251 HydrophobicContact CD2-CE2 3.97Å; L247-Y251 WeakPolarHBondContact O-CD2 3.06Å; L247-Y251 PolarHBondContact O-N 3.21Å; Q249-Y251 VanDerWaalsContact C-N 3.29Å; Q249-Y251 PolarHBondContact O-N 3.31Å; Y251-W268 HydrophobicContact CD1-CZ2 4.46Å; Y251-W268 AromaticContact CD1-NE1 3.93Å; Y251-W268 WeakPolarHBondContact O-CH2 3.31Å; Y251-W268 VanDerWaalsContact O-CZ2 3.25Å; Y251-W268 WeakPolarHBondContact O-CZ2 3.47Å; Y251-L273 HydrophobicContact CD1-CD2 4.4Å; Y251-L273 HydrophobicContact CE1-CD2 3.63Å; Y251-P274 HydrophobicContact CE2-CG 4.16Å; Y251-P274 VanDerWaalsContact OH-CD 3.29Å; Y251-P274 WeakPolarHBondContact OH-CD 3.33Å; Y251-F275 HydrophobicContact CD2-CE1 4.25Å; Y251-F275 HydrophobicContact CD2-CZ 4.04Å; Y251-F275 HydrophobicContact CE2-CE1 4.18Å; Y251-F275 HydrophobicContact CE2-CZ 4.18Å; Y251-F275 HydrophobicContact CG-CZ 4.38Å |
| 252 | T | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | trans | -101.7 | 123.8 | 171.2 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | W121 V122 Q123 L237 T248 | W121-T252 HydrophobicContact CB-CG2 4.19Å; W121-T252 HydrophobicContact CD2-CG2 4.48Å; W121-T252 HydrophobicContact CE3-CG2 3.83Å; V122-T252 WeakPolarHBondContact O-CA 3.47Å; Q123-T252 HydrophobicContact CG-CG2 3.85Å; Q123-T252 WeakPolarHBondContact CG-OG1 3.46Å; Q123-T252 PolarHBondContact NE2-OG1 3.49Å; L237-T252 HydrophobicContact CD1-CG2 3.92Å; L237-T252 HydrophobicContact CD2-CG2 4Å; T248-T252 VanDerWaalsContact O-CB 3.23Å; T248-T252 WeakPolarHBondContact O-CB 3.07Å; T248-T252 PolarHBondContact O-N 3.23Å; T248-T252 VanDerWaalsContact O-N 3.11Å; T248-T252 PolarHBondContact O-OG1 2.88Å | ||
| 253 | R | 97.9 | Very high | 97.4 | Very high | 83 Ų | 83 | 55 Ų | 55 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.3 | -177.9 | -61.6 | -176.3 | -179.2 | 176.4 | 4 | 111.4 | W121 V122 E267 | W121-R253 CarbonylContact C-O 3.48Å; W121-R253 WeakPolarHBondContact CA-O 3.49Å; V122-R253 HydrophobicContact CG1-CB 3.95Å; V122-R253 PolarHBondContact N-O 3.22Å; V122-R253 PolarHBondContact O-N 3.49Å; R253-E267 IonicContact CZ-OE1 3.93Å; R253-E267 VanDerWaalsContact CZ-OE1 3.3Å; R253-E267 IonicContact CZ-OE2 3.47Å; R253-E267 IonicContact NH1-OE1 2.7Å; R253-E267 PolarHBondContact NH1-OE1 2.67Å; R253-E267 IonicContact NH1-OE2 3.26Å; R253-E267 PolarHBondContact NH1-OE2 2.87Å; R253-E267 IonicContact NH2-OE1 3.17Å; R253-E267 PolarHBondContact NH2-OE1 3.43Å; R253-E267 IonicContact NH2-OE2 3.9Å |
| 254 | A | 97.9 | Very high | 97.5 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | W121 | W121-A254 HydrophobicContact CD2-CB 4.29Å; W121-A254 HydrophobicContact CE3-CB 3.97Å; W121-A254 HydrophobicContact CH2-CB 4.01Å; W121-A254 HydrophobicContact CZ2-CB 4.27Å; W121-A254 HydrophobicContact CZ3-CB 3.85Å |
| 255 | V | 98 | Very high | 97.5 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.3 | 179.9 | -73.2 | 0 | 0 | 0 | 0 | 110.6 | M114 L120 V122 E260 V261 V282 | M114-V255 HydrophobicContact CE-CG2 4.46Å; L120-V255 HydrophobicContact CB-CG2 4Å; L120-V255 WeakPolarHBondContact O-CG2 3.48Å; L120-V255 PolarHBondContact O-N 3.16Å; V122-V255 HydrophobicContact CB-CG1 4.11Å; V122-V255 HydrophobicContact CB-CG2 4.2Å; V122-V255 HydrophobicContact CG1-CG1 3.56Å; V122-V255 HydrophobicContact CG1-CG2 4.48Å; V255-E260 WeakPolarHBondContact CA-OE2 3.34Å; V255-E260 HydrophobicContact CB-CB 4.2Å; V255-E260 HydrophobicContact CG1-CB 4.01Å; V255-V261 HydrophobicContact CB-CG2 4.03Å; V255-V261 HydrophobicContact CG1-CG2 4.18Å; V255-V261 HydrophobicContact CG2-CG2 3.82Å; V255-V282 HydrophobicContact CG2-CG1 4.5Å |
| 256 | K | 96.6 | Very high | 97.5 | Very high | 176 Ų | 176 | 56.8 Ų | 56.8 | 77% | 0.765 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -106.4 | -26.4 | -176.8 | -61.9 | 178.8 | -177.8 | 178.2 | 0 | 113.9 | E260 | K256-E260 PolarHBondContact N-OE2 3.05Š|
| 257 | N | 96.7 | Very high | 97.5 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -156.3 | 171.1 | -175.7 | 59.5 | 57.8 | 0 | 0 | 0 | 111.1 | M114 D259 E260 V261 | M114-N257 VanDerWaalsContact CE-CA 3.48Å; N257-D259 PolarHBondContact O-N 2.91Å; N257-D259 WeakPolarHBondContact OD1-CA 3.31Å; N257-D259 VanDerWaalsContact OD1-CB 3.28Å; N257-D259 WeakPolarHBondContact OD1-CB 3.32Å; N257-D259 PolarHBondContact OD1-N 3.39Å; N257-E260 PolarHBondContact O-N 3.25Å; N257-E260 VanDerWaalsContact O-N 3.16Å; N257-E260 WeakPolarHBondContact OD1-CG 3.42Å; N257-E260 PolarHBondContact OD1-N 3.36Å; N257-V261 PolarHBondContact O-N 3.11Å |
| 258 | A | 97.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -22.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K107 L110 S111 M114 A262 | K107-A258 HydrophobicContact CG-CB 4.15Å; L110-A258 HydrophobicContact CD2-CB 4.2Å; L110-A258 HydrophobicContact CG-CB 4.3Å; S111-A258 WeakPolarHBondContact OG-CB 3.34Å; M114-A258 HydrophobicContact SD-CB 4Å; M114-A258 PolarHBondContact SD-N 3.4Å; M114-A258 VanDerWaalsContact SD-N 3.43Å; A258-A262 VanDerWaalsContact O-CB 3.27Å; A258-A262 WeakPolarHBondContact O-CB 3.38Å; A258-A262 PolarHBondContact O-N 3.06Å |
| 259 | D | 98 | Very high | 97.4 | Very high | 79 Ų | 79 | 58 Ų | 58 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 173.1 | -63.2 | -49.9 | 0 | 0 | 0 | 111.1 | K107 N257 V261 A262 R263 | K107-D259 WeakPolarHBondContact CE-OD1 3.16Å; K107-D259 IonicContact NZ-OD1 3.96Å; K107-D259 PolarHBondContact NZ-OD1 3.25Å; N257-D259 PolarHBondContact O-N 2.91Å; N257-D259 WeakPolarHBondContact OD1-CA 3.31Å; N257-D259 VanDerWaalsContact OD1-CB 3.28Å; N257-D259 WeakPolarHBondContact OD1-CB 3.32Å; N257-D259 PolarHBondContact OD1-N 3.39Å; D259-V261 VanDerWaalsContact C-N 3.35Å; D259-A262 PolarHBondContact O-N 2.84Å; D259-R263 WeakPolarHBondContact O-CG 3.4Å; D259-R263 PolarHBondContact O-N 2.92Å |
| 260 | E | 98.3 | Very high | 97.2 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.1 | -37.9 | -154.7 | 140.3 | 0 | 0 | 111 | V255 K256 N257 A262 R263 V264 | V255-E260 WeakPolarHBondContact CA-OE2 3.34Å; V255-E260 HydrophobicContact CB-CB 4.2Å; V255-E260 HydrophobicContact CG1-CB 4.01Å; K256-E260 PolarHBondContact N-OE2 3.05Å; N257-E260 PolarHBondContact O-N 3.25Å; N257-E260 VanDerWaalsContact O-N 3.16Å; N257-E260 WeakPolarHBondContact OD1-CG 3.42Å; N257-E260 PolarHBondContact OD1-N 3.36Å; E260-A262 VanDerWaalsContact C-N 3.33Å; E260-A262 PolarHBondContact O-N 3.45Å; E260-R263 VanDerWaalsContact CG-NH2 3.31Å; E260-R263 PolarHBondContact O-N 3.46Å; E260-R263 IonicContact OE1-NH2 3.53Å; E260-V264 WeakPolarHBondContact O-CG2 3.5Å; E260-V264 PolarHBondContact O-N 2.88Å |
| 261 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | L110 M114 V122 V255 N257 D259 R263 V264 R265 V280 V282 W304 | L110-V261 HydrophobicContact CD2-CB 3.86Å; L110-V261 HydrophobicContact CD2-CG1 3.62Å; L110-V261 HydrophobicContact CD2-CG2 4.25Å; M114-V261 HydrophobicContact CE-CG2 3.94Å; M114-V261 HydrophobicContact SD-CG2 4.09Å; V122-V261 HydrophobicContact CG2-CG1 4.2Å; V255-V261 HydrophobicContact CB-CG2 4.03Å; V255-V261 HydrophobicContact CG1-CG2 4.18Å; V255-V261 HydrophobicContact CG2-CG2 3.82Å; N257-V261 PolarHBondContact O-N 3.11Å; D259-V261 VanDerWaalsContact C-N 3.35Å; V261-R263 VanDerWaalsContact C-N 3.31Å; V261-R263 PolarHBondContact O-N 2.77Å; V261-V264 PolarHBondContact O-N 3.5Å; V261-R265 VanDerWaalsContact O-CB 3.24Å; V261-R265 WeakPolarHBondContact O-CB 3.28Å; V261-R265 PolarHBondContact O-N 3.5Å; V261-V280 HydrophobicContact CG1-CG2 3.98Å; V261-V282 HydrophobicContact CB-CG2 4.48Å; V261-V282 HydrophobicContact CG1-CG2 3.63Å; V261-V282 HydrophobicContact CG2-CG1 4.46Å; V261-V282 HydrophobicContact CG2-CG2 3.98Å; V261-W304 HydrophobicContact CG1-CE3 3.97Å; V261-W304 HydrophobicContact CG1-CZ3 4.24Å |
| 262 | A | 97.7 | Very high | 97.1 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K107 A258 D259 E260 N266 W304 | K107-A262 HydrophobicContact CD-CB 4.4Å; A258-A262 VanDerWaalsContact O-CB 3.27Å; A258-A262 WeakPolarHBondContact O-CB 3.38Å; A258-A262 PolarHBondContact O-N 3.06Å; D259-A262 PolarHBondContact O-N 2.84Å; E260-A262 VanDerWaalsContact C-N 3.33Å; E260-A262 PolarHBondContact O-N 3.45Å; A262-N266 VanDerWaalsContact O-CB 3.32Å; A262-N266 WeakPolarHBondContact O-CB 3.45Å; A262-N266 PolarHBondContact O-N 2.85Å; A262-W304 HydrophobicContact CB-CH2 3.79Å; A262-W304 HydrophobicContact CB-CZ3 3.81Å |
| 263 | R | 98.2 | Very high | 97.1 | Very high | 150 Ų | 150 | 58.1 Ų | 58.1 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.4 | -51.3 | 174.2 | -74 | -169.4 | -58.7 | -99.1 | 6.3 | 111.4 | D259 E260 V261 R265 N266 E267 | D259-R263 WeakPolarHBondContact O-CG 3.4Å; D259-R263 PolarHBondContact O-N 2.92Å; E260-R263 VanDerWaalsContact CG-NH2 3.31Å; E260-R263 PolarHBondContact O-N 3.46Å; E260-R263 IonicContact OE1-NH2 3.53Å; V261-R263 VanDerWaalsContact C-N 3.31Å; V261-R263 PolarHBondContact O-N 2.77Å; R263-R265 PolarHBondContact O-N 3.46Å; R263-N266 PolarHBondContact O-N 3.18Å; R263-E267 WeakPolarHBondContact O-CB 3.38Å; R263-E267 PolarHBondContact O-N 3.14Å |
| 264 | V | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | V122 E260 V261 N266 E267 W268 | V122-V264 HydrophobicContact CG1-CB 4.11Å; V122-V264 HydrophobicContact CG1-CG1 3.77Å; V122-V264 HydrophobicContact CG1-CG2 4.19Å; E260-V264 WeakPolarHBondContact O-CG2 3.5Å; E260-V264 PolarHBondContact O-N 2.88Å; V261-V264 PolarHBondContact O-N 3.5Å; V264-N266 PolarHBondContact O-N 3.01Å; V264-E267 WeakPolarHBondContact O-CB 3.49Å; V264-E267 PolarHBondContact O-N 3.09Å; V264-W268 HydrophobicContact CG1-CD2 3.8Å; V264-W268 HydrophobicContact CG1-CE3 3.69Å; V264-W268 HydrophobicContact CG1-CH2 3.47Å; V264-W268 VanDerWaalsContact CG1-CH2 3.47Å; V264-W268 HydrophobicContact CG1-CZ2 3.6Å; V264-W268 HydrophobicContact CG1-CZ3 3.51Å; V264-W268 PolarHBondContact O-N 3.4Å |
| 265 | R | 97.2 | Very high | 96.9 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 174.7 | -179.6 | -178.4 | 168.5 | -80.2 | 15.6 | 111.1 | V261 R263 W269 V280 W304 K305 Y306 | V261-R265 VanDerWaalsContact O-CB 3.24Å; V261-R265 WeakPolarHBondContact O-CB 3.28Å; V261-R265 PolarHBondContact O-N 3.5Å; R263-R265 PolarHBondContact O-N 3.46Å; R265-W269 WeakPolarHBondContact O-CB 3.48Å; R265-W269 PolarHBondContact O-N 2.95Å; R265-V280 HydrophobicContact CB-CG1 3.83Å; R265-V280 HydrophobicContact CB-CG2 4.02Å; R265-V280 HydrophobicContact CG-CG1 4.06Å; R265-V280 HydrophobicContact CG-CG2 4.12Å; R265-W304 VanDerWaalsContact CD-CE3 3.48Å; R265-K305 PolarHBondContact NE-O 3.11Å; R265-K305 VanDerWaalsContact NE-O 3.13Å; R265-K305 PolarHBondContact NH2-O 2.97Å; R265-Y306 HydrophobicContact CG-CD1 3.94Å; R265-Y306 HydrophobicContact CG-CE1 3.57Å; R265-Y306 VanDerWaalsContact NH2-CA 3.27Å; R265-Y306 WeakPolarHBondContact O-CE1 3.47Å |
| 266 | N | 96 | Very high | 96.7 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.1 | -34.4 | 179.3 | -179.1 | 67.8 | 0 | 0 | 0 | 112.7 | A262 R263 V264 K270 | A262-N266 VanDerWaalsContact O-CB 3.32Å; A262-N266 WeakPolarHBondContact O-CB 3.45Å; A262-N266 PolarHBondContact O-N 2.85Å; R263-N266 PolarHBondContact O-N 3.18Å; V264-N266 PolarHBondContact O-N 3.01Å; N266-K270 WeakPolarHBondContact O-CG 3.43Å; N266-K270 PolarHBondContact O-N 2.88Å; N266-K270 WeakPolarHBondContact OD1-CE 3.2Å |
| 267 | E | 97.4 | Very high | 96.6 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 40% | 0.402 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.1 | -54.6 | 173.1 | -177.5 | -170.3 | 144.6 | 0 | 0 | 110.9 | R253 R263 V264 W269 K270 A271 | R253-E267 IonicContact CZ-OE1 3.93Å; R253-E267 VanDerWaalsContact CZ-OE1 3.3Å; R253-E267 IonicContact CZ-OE2 3.47Å; R253-E267 IonicContact NH1-OE1 2.7Å; R253-E267 PolarHBondContact NH1-OE1 2.67Å; R253-E267 IonicContact NH1-OE2 3.26Å; R253-E267 PolarHBondContact NH1-OE2 2.87Å; R253-E267 IonicContact NH2-OE1 3.17Å; R253-E267 PolarHBondContact NH2-OE1 3.43Å; R253-E267 IonicContact NH2-OE2 3.9Å; R263-E267 WeakPolarHBondContact O-CB 3.38Å; R263-E267 PolarHBondContact O-N 3.14Å; V264-E267 WeakPolarHBondContact O-CB 3.49Å; V264-E267 PolarHBondContact O-N 3.09Å; E267-W269 VanDerWaalsContact C-N 3.28Å; E267-W269 PolarHBondContact O-N 3.05Å; E267-K270 PolarHBondContact O-N 3.38Å; E267-K270 VanDerWaalsContact O-N 3.13Å; E267-A271 VanDerWaalsContact O-CB 3.29Å; E267-A271 WeakPolarHBondContact O-CB 3.26Å; E267-A271 PolarHBondContact O-N 3.02Å |
| 268 | W | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.5 | -28.1 | 179.8 | -70.8 | -23.3 | 0 | 0 | 0 | 113.8 | V122 P124 Y251 V264 K270 L273 V280 | V122-W268 HydrophobicContact CG1-CH2 4.25Å; V122-W268 HydrophobicContact CG2-CZ3 4.11Å; P124-W268 HydrophobicContact CB-CD2 4.41Å; P124-W268 HydrophobicContact CB-CE3 3.97Å; P124-W268 HydrophobicContact CB-CZ3 4.12Å; Y251-W268 HydrophobicContact CD1-CZ2 4.46Å; Y251-W268 AromaticContact CD1-NE1 3.93Å; Y251-W268 WeakPolarHBondContact O-CH2 3.31Å; Y251-W268 VanDerWaalsContact O-CZ2 3.25Å; Y251-W268 WeakPolarHBondContact O-CZ2 3.47Å; V264-W268 HydrophobicContact CG1-CD2 3.8Å; V264-W268 HydrophobicContact CG1-CE3 3.69Å; V264-W268 HydrophobicContact CG1-CH2 3.47Å; V264-W268 VanDerWaalsContact CG1-CH2 3.47Å; V264-W268 HydrophobicContact CG1-CZ2 3.6Å; V264-W268 HydrophobicContact CG1-CZ3 3.51Å; V264-W268 PolarHBondContact O-N 3.4Å; W268-K270 PolarHBondContact O-N 3.26Å; W268-L273 HydrophobicContact CB-CD1 4.16Å; W268-V280 HydrophobicContact CE3-CG1 3.55Å; W268-V280 HydrophobicContact CZ3-CG1 3.71Å |
| 269 | W | 94 | Very high | 96.1 | Very high | 37 Ų | 37 | 41 Ų | 41 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -32.7 | 173.9 | -170.6 | 40.4 | 0 | 0 | 0 | 112.7 | Q192 R265 E267 Y306 | Q192-W269 HydrophobicContact CB-CD2 3.97Å; Q192-W269 HydrophobicContact CB-CG 4.15Å; Q192-W269 HydrophobicContact CB-CZ2 4.22Å; Q192-W269 VanDerWaalsContact CB-O 3.28Å; Q192-W269 WeakPolarHBondContact CB-O 3.09Å; Q192-W269 HydrophobicContact CG-CD2 4.19Å; Q192-W269 HydrophobicContact CG-CE3 4.46Å; Q192-W269 HydrophobicContact CG-CH2 4.1Å; Q192-W269 HydrophobicContact CG-CZ2 3.79Å; Q192-W269 HydrophobicContact CG-CZ3 4.43Å; Q192-W269 PolarHBondContact N-O 2.8Å; R265-W269 WeakPolarHBondContact O-CB 3.48Å; R265-W269 PolarHBondContact O-N 2.95Å; E267-W269 VanDerWaalsContact C-N 3.28Å; E267-W269 PolarHBondContact O-N 3.05Å; W269-Y306 HydrophobicContact CB-CD1 3.95Å; W269-Y306 HydrophobicContact CB-CE1 3.58Å; W269-Y306 AromaticContact CD1-CD1 3.75Å; W269-Y306 AromaticContact CD1-CD2 3.92Å; W269-Y306 AromaticContact CD1-CG 3.68Å; W269-Y306 AromaticContact CG-CD1 3.86Å; W269-Y306 HydrophobicContact CG-CD1 3.86Å; W269-Y306 HydrophobicContact CG-CE1 4Å; W269-Y306 HydrophobicContact CG-CG 4.26Å; W269-Y306 PolarHBondContact N-OH 3.18Å |
| 270 | K | 94.5 | Very high | 96.1 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 45% | 0.452 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -100.8 | -17.8 | -177.3 | -60.3 | -174.1 | -178.4 | -172.6 | 0 | 113.7 | I190 N266 E267 W268 | I190-K270 WeakPolarHBondContact CG2-O 3.09Å; N266-K270 WeakPolarHBondContact O-CG 3.43Å; N266-K270 PolarHBondContact O-N 2.88Å; N266-K270 WeakPolarHBondContact OD1-CE 3.2Å; E267-K270 PolarHBondContact O-N 3.38Å; E267-K270 VanDerWaalsContact O-N 3.13Å; W268-K270 PolarHBondContact O-N 3.26Å |
| 271 | A | 95.5 | Very high | 96.1 | Very high | 29 Ų | 29 | 36 Ų | 36 | 24% | 0.24 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -75.5 | 153.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E267 L273 | E267-A271 VanDerWaalsContact O-CB 3.29Å; E267-A271 WeakPolarHBondContact O-CB 3.26Å; E267-A271 PolarHBondContact O-N 3.02Å; A271-L273 HydrophobicContact CB-CD2 4.38Å; A271-L273 PolarHBondContact O-N 3.2Å |
| 272 | K | 96.5 | Very high | 96 | Very high | 156 Ų | 156 | 36 Ų | 36 | 68% | 0.678 | 17% | 0.17 | S | C | * | . | trans | -73.5 | 116.5 | 163.1 | -74.1 | -177.2 | -178.1 | -177.9 | 0 | 108.6 | H189 I190 | H189-K272 WeakPolarHBondContact O-CA 3.35Å; I190-K272 HydrophobicContact CD1-CG 3.76Å; I190-K272 HydrophobicContact CG1-CB 4.49Å; I190-K272 HydrophobicContact CG1-CG 3.67Å | ||
| 273 | L | 96.8 | Very high | 96 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -114.6 | 158.5 | 178.2 | -65.2 | 179.1 | 0 | 0 | 0 | 110.7 | G188 H189 Y251 W268 A271 F275 T277 | G188-L273 PolarHBondContact N-O 3.1Å; G188-L273 VanDerWaalsContact N-O 3.15Å; H189-L273 PolarHBondContact N-O 2.94Å; H189-L273 VanDerWaalsContact N-O 3.12Å; H189-L273 PolarHBondContact O-N 3.42Å; Y251-L273 HydrophobicContact CD1-CD2 4.4Å; Y251-L273 HydrophobicContact CE1-CD2 3.63Å; W268-L273 HydrophobicContact CB-CD1 4.16Å; A271-L273 HydrophobicContact CB-CD2 4.38Å; A271-L273 PolarHBondContact O-N 3.2Å; L273-F275 HydrophobicContact CB-CD2 4.49Å; L273-F275 HydrophobicContact CB-CE2 4.5Å; L273-F275 HydrophobicContact CD1-CE2 4.27Å; L273-F275 PolarHBondContact O-N 3.41Å; L273-T277 HydrophobicContact CD1-CG2 3.69Å |
| 274 | P | 96.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 7% | 0.071 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -78.9 | 0.8 | 176.3 | 31.4 | -33.2 | 0 | 0 | 0 | 112.8 | R186 E187 L247 Y251 | R186-P274 CarbonylContact C-O 3.59Å; R186-P274 PolarHBondContact N-O 2.91Å; R186-P274 CarbonylContact O-C 3.56Å; E187-P274 WeakPolarHBondContact OE1-CB 3.4Å; L247-P274 HydrophobicContact CD2-CG 4.34Å; Y251-P274 HydrophobicContact CE2-CG 4.16Å; Y251-P274 VanDerWaalsContact OH-CD 3.29Å; Y251-P274 WeakPolarHBondContact OH-CD 3.33Å |
| 275 | F | 96.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -152.9 | 164 | -176.1 | 45.6 | -111.9 | 0 | 0 | 0 | 111.4 | P124 V126 F183 F222 L247 Y251 L273 T277 | P124-F275 HydrophobicContact CB-CE2 3.98Å; P124-F275 HydrophobicContact CB-CZ 4.38Å; P124-F275 HydrophobicContact CG-CE2 3.95Å; P124-F275 HydrophobicContact CG-CZ 3.84Å; V126-F275 HydrophobicContact CG1-CB 4.33Å; V126-F275 HydrophobicContact CG1-CD2 4.27Å; V126-F275 HydrophobicContact CG1-CG 4.16Å; V126-F275 HydrophobicContact CG2-CD2 4Å; V126-F275 HydrophobicContact CG2-CE1 4.32Å; V126-F275 HydrophobicContact CG2-CE2 3.81Å; V126-F275 HydrophobicContact CG2-CG 4.38Å; V126-F275 HydrophobicContact CG2-CZ 3.98Å; F183-F275 HydrophobicContact CD2-CB 3.43Å; F183-F275 VanDerWaalsContact CD2-CB 3.43Å; F183-F275 HydrophobicContact CD2-CD1 4.25Å; F183-F275 HydrophobicContact CD2-CG 4.25Å; F183-F275 HydrophobicContact CE1-CD1 4.13Å; F183-F275 HydrophobicContact CE2-CB 3.57Å; F183-F275 AromaticContact CE2-CD1 3.71Å; F183-F275 HydrophobicContact CE2-CD1 3.71Å; F183-F275 HydrophobicContact CE2-CG 4.11Å; F183-F275 HydrophobicContact CG-CB 4.13Å; F183-F275 HydrophobicContact CZ-CB 4.34Å; F183-F275 AromaticContact CZ-CD1 3.63Å; F183-F275 HydrophobicContact CZ-CD1 3.63Å; F183-F275 HydrophobicContact CZ-CE1 4.46Å; F183-F275 HydrophobicContact CZ-CG 4.41Å; F222-F275 HydrophobicContact CD2-CE1 4.39Å; L247-F275 HydrophobicContact CD1-CE1 4.48Å; Y251-F275 HydrophobicContact CD2-CE1 4.25Å; Y251-F275 HydrophobicContact CD2-CZ 4.04Å; Y251-F275 HydrophobicContact CE2-CE1 4.18Å; Y251-F275 HydrophobicContact CE2-CZ 4.18Å; Y251-F275 HydrophobicContact CG-CZ 4.38Å; L273-F275 HydrophobicContact CB-CD2 4.49Å; L273-F275 HydrophobicContact CB-CE2 4.5Å; L273-F275 HydrophobicContact CD1-CE2 4.27Å; L273-F275 PolarHBondContact O-N 3.41Å; F275-T277 HydrophobicContact CD2-CG2 3.38Å; F275-T277 HydrophobicContact CE2-CG2 3.34Å |
| 276 | V | 94 | Very high | 94.9 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | trans | -76.7 | 140.8 | 171.4 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | D127 R186 I197 A199 | D127-V276 HydrophobicContact CB-CB 4.14Å; D127-V276 HydrophobicContact CB-CG1 3.99Å; D127-V276 PolarHBondContact N-O 3.21Å; R186-V276 HydrophobicContact CG-CG2 4.35Å; I197-V276 HydrophobicContact CD1-CG2 3.9Å; I197-V276 HydrophobicContact CG1-CG2 3.75Å; A199-V276 HydrophobicContact CB-CB 4.01Å; A199-V276 HydrophobicContact CB-CG1 4.48Å; A199-V276 HydrophobicContact CB-CG2 3.76Å | ||
| 277 | T | 93.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | P124 K125 Q191 L273 F275 Y306 | P124-T277 HydrophobicContact CB-CG2 3.87Å; K125-T277 CarbonylContact O-C 3.56Å; K125-T277 VanDerWaalsContact O-CA 3.25Å; K125-T277 WeakPolarHBondContact O-CA 3.3Å; K125-T277 WeakPolarHBondContact O-CB 3.39Å; Q191-T277 VanDerWaalsContact CG-O 3.29Å; Q191-T277 WeakPolarHBondContact CG-O 3.23Å; Q191-T277 PolarHBondContact OE1-O 2.98Å; L273-T277 HydrophobicContact CD1-CG2 3.69Å; F275-T277 HydrophobicContact CD2-CG2 3.38Å; F275-T277 HydrophobicContact CE2-CG2 3.34Å; T277-Y306 WeakPolarHBondContact O-CD2 3.3Å; T277-Y306 VanDerWaalsContact O-CE2 3.29Å; T277-Y306 WeakPolarHBondContact O-CE2 3.45Å; T277-Y306 VanDerWaalsContact OG1-CE2 3.26Å; T277-Y306 WeakPolarHBondContact OG1-CE2 3.33Å; T277-Y306 PolarHBondContact OG1-OH 2.9Å |
| 278 | D | 89.1 | Confident | 94.4 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 6.7 | 177.1 | 74.1 | -31.7 | 0 | 0 | 0 | 112.9 | K125 K305 Y306 | K125-D278 WeakPolarHBondContact CB-OD1 3.36Å; K125-D278 WeakPolarHBondContact CD-OD1 3.45Å; K125-D278 WeakPolarHBondContact CG-OD1 3.47Å; K125-D278 IonicContact NZ-OD1 3.11Å; K125-D278 PolarHBondContact NZ-OD1 2.82Å; K125-D278 IonicContact NZ-OD2 3.82Å; K125-D278 PolarHBondContact NZ-OD2 2.92Å; K125-D278 PolarHBondContact O-N 2.58Å; D278-K305 CarbonylContact O-C 3.22Å; D278-K305 WeakPolarHBondContact O-CA 3.43Å; D278-K305 WeakPolarHBondContact O-CB 3.09Å; D278-K305 VanDerWaalsContact OD2-CE 3.24Å; D278-K305 WeakPolarHBondContact OD2-CE 3.39Å; D278-K305 IonicContact OD2-NZ 2.65Å; D278-Y306 VanDerWaalsContact C-CD2 3.47Å; D278-Y306 PolarHBondContact O-N 3.42Å |
| 279 | G | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.8 | -146.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | K125 W304 Y306 | K125-G279 WeakPolarHBondContact CB-O 3.3Å; K125-G279 PolarHBondContact N-O 3.48Å; G279-W304 WeakPolarHBondContact CA-O 3.28Å; G279-Y306 VanDerWaalsContact N-CE2 3.31Å |
| 280 | V | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 155.1 | 173.3 | -63 | 0 | 0 | 0 | 0 | 111.6 | V122 Q123 V261 R265 W268 A303 W304 | V122-V280 HydrophobicContact CG2-CB 3.79Å; V122-V280 HydrophobicContact CG2-CG1 4.18Å; V122-V280 HydrophobicContact CG2-CG2 4.17Å; Q123-V280 CarbonylContact O-C 3.57Å; Q123-V280 WeakPolarHBondContact O-CA 3.4Å; V261-V280 HydrophobicContact CG1-CG2 3.98Å; R265-V280 HydrophobicContact CB-CG1 3.83Å; R265-V280 HydrophobicContact CB-CG2 4.02Å; R265-V280 HydrophobicContact CG-CG1 4.06Å; R265-V280 HydrophobicContact CG-CG2 4.12Å; W268-V280 HydrophobicContact CE3-CG1 3.55Å; W268-V280 HydrophobicContact CZ3-CG1 3.71Å; V280-A303 CarbonylContact O-C 3.5Å; V280-A303 WeakPolarHBondContact O-CA 3.41Å; V280-W304 HydrophobicContact CG2-CB 4.09Å; V280-W304 PolarHBondContact N-O 2.87Å; V280-W304 PolarHBondContact O-N 3.03Å |
| 281 | V | 98.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.3 | 168.4 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | V122 Q123 K125 L301 V302 A303 | V122-V281 CarbonylContact C-O 3.53Å; V122-V281 WeakPolarHBondContact CA-O 3.38Å; Q123-V281 PolarHBondContact N-O 3.26Å; Q123-V281 PolarHBondContact O-N 2.9Å; K125-V281 HydrophobicContact CB-CG2 3.89Å; K125-V281 HydrophobicContact CD-CG2 4.18Å; K125-V281 HydrophobicContact CG-CG2 3.75Å; V281-L301 HydrophobicContact CG1-CD1 3.24Å; V281-L301 HydrophobicContact CG1-CG 3.89Å; V281-V302 CarbonylContact C-O 3.58Å; V281-V302 WeakPolarHBondContact CA-O 3.42Å; V281-A303 HydrophobicContact CG2-CB 4.46Å |
| 282 | V | 98 | Very high | 94 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.2 | 172.8 | -170.3 | 0 | 0 | 0 | 0 | 108 | L110 W113 L120 W121 V122 V255 V261 V302 | L110-V282 HydrophobicContact CD1-CB 4.41Å; L110-V282 HydrophobicContact CD1-CG2 4.07Å; W113-V282 HydrophobicContact CH2-CG1 4.29Å; W113-V282 HydrophobicContact CZ3-CB 4.15Å; W113-V282 HydrophobicContact CZ3-CG1 3.73Å; L120-V282 HydrophobicContact CB-CG1 4.47Å; W121-V282 CarbonylContact O-C 3.3Å; W121-V282 WeakPolarHBondContact O-CA 3.44Å; V122-V282 HydrophobicContact CG2-CG2 4.26Å; V255-V282 HydrophobicContact CG2-CG1 4.5Å; V261-V282 HydrophobicContact CB-CG2 4.48Å; V261-V282 HydrophobicContact CG1-CG2 3.63Å; V261-V282 HydrophobicContact CG2-CG1 4.46Å; V261-V282 HydrophobicContact CG2-CG2 3.98Å; V282-V302 HydrophobicContact CB-CG2 3.98Å; V282-V302 PolarHBondContact N-O 3.08Å; V282-V302 PolarHBondContact O-N 2.87Å |
| 283 | R | 96 | Very high | 93.9 | Very high | 10 Ų | 10 | 38 Ų | 38 | 4% | 0.038 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.9 | -179 | 76.9 | -175.3 | -65.3 | -177.6 | 7 | 111.6 | L120 W121 W224 M233 E287 W300 L301 | L120-R283 WeakPolarHBondContact CA-O 3.35Å; W121-R283 HydrophobicContact CB-CG 3.99Å; W121-R283 PolarHBondContact N-O 3Å; W121-R283 PolarHBondContact O-N 2.98Å; W224-R283 PolarHBondContact O-NH1 3.23Å; M233-R283 HydrophobicContact CE-CG 4.45Å; R283-E287 IonicContact CZ-OE1 3.74Å; R283-E287 VanDerWaalsContact CZ-OE1 3.22Å; R283-E287 IonicContact NE-OE1 3.9Å; R283-E287 PolarHBondContact NE-OE1 3.34Å; R283-E287 IonicContact NH2-OE1 2.7Å; R283-E287 PolarHBondContact NH2-OE1 2.92Å; R283-E287 IonicContact NH2-OE2 3.1Å; R283-E287 PolarHBondContact NH2-OE2 3.01Å; R283-W300 CarbonylContact C-O 3.46Å; R283-W300 VanDerWaalsContact CA-O 3.32Å; R283-W300 WeakPolarHBondContact CA-O 3.37Å; R283-L301 HydrophobicContact CB-CD1 3.37Å |
| 284 | G | 94.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 145.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K286 W300 | G284-K286 VanDerWaalsContact C-N 3.33Å; G284-W300 PolarHBondContact N-O 2.89Å |
| 285 | A | 89.8 | Confident | 93.5 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -68.7 | -35 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D119 | D119-A285 HydrophobicContact CB-CB 4.06Å; D119-A285 VanDerWaalsContact CG-CB 3.41Å; D119-A285 WeakPolarHBondContact O-CB 3.44Å; D119-A285 PolarHBondContact O-N 3.25Å; D119-A285 WeakPolarHBondContact OD2-CB 3.34Å |
| 286 | K | 87.3 | Confident | 93.2 | Very high | 186 Ų | 186 | 46.6 Ų | 46.6 | 81% | 0.809 | 25% | 0.245 | S | C | * | . | trans | -82.4 | 115.4 | 174.8 | -170.4 | 175.2 | -178.4 | 179.3 | 0 | 110.1 | G284 | G284-K286 VanDerWaalsContact C-N 3.33Š| ||
| 287 | E | 91 | Very high | 93.1 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | trans | -123.5 | 150.3 | -177.7 | -55 | -174.7 | 147.7 | 0 | 0 | 109 | R236 R283 W293 W300 | R236-E287 IonicContact NH1-OE2 3.62Å; R283-E287 IonicContact CZ-OE1 3.74Å; R283-E287 VanDerWaalsContact CZ-OE1 3.22Å; R283-E287 IonicContact NE-OE1 3.9Å; R283-E287 PolarHBondContact NE-OE1 3.34Å; R283-E287 IonicContact NH2-OE1 2.7Å; R283-E287 PolarHBondContact NH2-OE1 2.92Å; R283-E287 IonicContact NH2-OE2 3.1Å; R283-E287 PolarHBondContact NH2-OE2 3.01Å; E287-W293 HydrophobicContact CB-CZ2 4.46Å; E287-W300 HydrophobicContact CB-CG 4.44Å; E287-W300 HydrophobicContact CG-CG 4.13Å; E287-W300 VanDerWaalsContact OE1-CD1 3.28Å; E287-W300 PolarHBondContact OE1-NE1 3.23Å | ||
| 288 | P | 91.8 | Very high | 93 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | trans | -65.7 | 155.7 | 171 | 28.1 | -31.2 | 0 | 0 | 0 | 110 | S290 W293 W300 | P288-S290 PolarHBondContact O-N 3.38Å; P288-W293 PolarHBondContact O-NE1 2.83Å; P288-W300 HydrophobicContact CG-CD2 4.18Å; P288-W300 HydrophobicContact CG-CE3 3.57Å; P288-W300 HydrophobicContact CG-CH2 3.45Å; P288-W300 VanDerWaalsContact CG-CH2 3.45Å; P288-W300 HydrophobicContact CG-CZ2 4.07Å; P288-W300 HydrophobicContact CG-CZ3 3.18Å | ||
| 289 | E | 92.6 | Very high | 93.1 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 51% | 0.514 | 30% | 0.297 | S | S | . | . | trans | -53.3 | 135.3 | 176.2 | -63.7 | -179.3 | 168.8 | 0 | 0 | 111.1 | R291 H292 | E289-R291 HydrophobicContact CB-CG 4.18Å; E289-R291 PolarHBondContact O-N 2.79Å; E289-R291 VanDerWaalsContact O-N 3.08Å; E289-R291 IonicContact OE2-CZ 3.3Å; E289-R291 IonicContact OE2-NE 3.01Å; E289-R291 PolarHBondContact OE2-NE 2.81Å; E289-R291 IonicContact OE2-NH2 2.71Å; E289-R291 PolarHBondContact OE2-NH2 2.87Å; E289-H292 PolarHBondContact O-N 2.9Å; E289-H292 IonicContact OE2-CE1 3.38Å; E289-H292 IonicContact OE2-ND1 2.8Å | ||
| 290 | S | 93 | Very high | 93.1 | Very high | 29 Ų | 29 | 59 Ų | 59 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -56.2 | -29 | -172.7 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | P288 H292 W293 | P288-S290 PolarHBondContact O-N 3.38Å; S290-H292 PolarHBondContact O-N 2.88Å; S290-W293 WeakPolarHBondContact O-CB 3.45Å; S290-W293 PolarHBondContact O-N 2.89Å; S290-W293 VanDerWaalsContact O-N 3.09Å |
| 291 | R | 92.9 | Very high | 92.9 | Very high | 188 Ų | 188 | 59.6 Ų | 59.6 | 71% | 0.709 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -62.3 | -19.5 | 174.6 | 65.9 | 175.2 | 172.7 | 153.5 | -0.7 | 114.5 | E289 | E289-R291 HydrophobicContact CB-CG 4.18Å; E289-R291 PolarHBondContact O-N 2.79Å; E289-R291 VanDerWaalsContact O-N 3.08Å; E289-R291 IonicContact OE2-CZ 3.3Å; E289-R291 IonicContact OE2-NE 3.01Å; E289-R291 PolarHBondContact OE2-NE 2.81Å; E289-R291 IonicContact OE2-NH2 2.71Å; E289-R291 PolarHBondContact OE2-NH2 2.87Å |
| 292 | H | 93.5 | Very high | 92.9 | Very high | 104 Ų | 104 | 58.8 Ų | 58.8 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -97.7 | 1.7 | 177.9 | -56 | 115.8 | 0 | 0 | 0 | 112.7 | E289 S290 L294 | E289-H292 PolarHBondContact O-N 2.9Å; E289-H292 IonicContact OE2-CE1 3.38Å; E289-H292 IonicContact OE2-ND1 2.8Å; S290-H292 PolarHBondContact O-N 2.88Å; H292-L294 PolarHBondContact O-N 3.41Å |
| 293 | W | 94.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 4% | 0.038 | 30% | 0.3 | C | S | . | . | trans | -70.5 | 134.2 | -180 | -69.7 | 14.6 | 0 | 0 | 0 | 110.2 | V96 A97 T99 A225 P227 E287 P288 S290 W300 | V96-W293 HydrophobicContact CG1-CB 4.49Å; V96-W293 HydrophobicContact CG1-CD2 4.06Å; V96-W293 HydrophobicContact CG1-CE3 3.53Å; V96-W293 HydrophobicContact CG1-CG 4.49Å; V96-W293 HydrophobicContact CG1-CZ3 4.06Å; A97-W293 VanDerWaalsContact CB-O 3.28Å; A97-W293 WeakPolarHBondContact CB-O 3.26Å; T99-W293 HydrophobicContact CG2-CB 3.75Å; T99-W293 HydrophobicContact CG2-CD2 4.14Å; T99-W293 HydrophobicContact CG2-CE3 4.13Å; T99-W293 HydrophobicContact CG2-CG 4Å; A225-W293 HydrophobicContact CB-CH2 4.36Å; P227-W293 HydrophobicContact CB-CH2 3.78Å; P227-W293 HydrophobicContact CB-CZ2 4.21Å; P227-W293 HydrophobicContact CB-CZ3 4.01Å; P227-W293 HydrophobicContact CG-CE3 4.48Å; P227-W293 HydrophobicContact CG-CH2 3.79Å; P227-W293 HydrophobicContact CG-CZ3 3.68Å; E287-W293 HydrophobicContact CB-CZ2 4.46Å; P288-W293 PolarHBondContact O-NE1 2.83Å; S290-W293 WeakPolarHBondContact O-CB 3.45Å; S290-W293 PolarHBondContact O-N 2.89Å; S290-W293 VanDerWaalsContact O-N 3.09Å; W293-W300 AromaticContact CD1-CH2 3.75Å; W293-W300 AromaticContact CD1-CZ2 3.84Å; W293-W300 AromaticContact CD2-CZ2 3.98Å; W293-W300 HydrophobicContact CD2-CZ2 3.98Å; W293-W300 AromaticContact CE2-CZ2 3.63Å; W293-W300 HydrophobicContact CG-CH2 4.19Å; W293-W300 HydrophobicContact CG-CZ2 4.12Å; W293-W300 HydrophobicContact CZ2-CZ2 4.13Å; W293-W300 AromaticContact NE1-CH2 3.85Å; W293-W300 AromaticContact NE1-CZ2 3.54Å | ||
| 294 | L | 93.5 | Very high | 92.8 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 38% | 0.382 | 30% | 0.302 | S | S | . | . | trans | -138.3 | 149 | 177.4 | -72.2 | 174.3 | 0 | 0 | 0 | 110.6 | L150 H292 G296 Q297 | L150-L294 HydrophobicContact CD2-CD2 4.18Å; H292-L294 PolarHBondContact O-N 3.41Å; L294-G296 PolarHBondContact O-N 2.57Å; L294-Q297 HydrophobicContact CB-CB 4.34Å; L294-Q297 HydrophobicContact CB-CG 4.06Å; L294-Q297 PolarHBondContact O-N 2.8Å | ||
| 295 | P | 92.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 130.4 | 174 | -25.8 | 34.6 | 0 | 0 | 0 | 112 | H98 L150 Q297 | H98-P295 WeakPolarHBondContact O-CA 3.33Å; L150-P295 HydrophobicContact CD2-CG 4.34Å; L150-P295 HydrophobicContact CG-CG 4.02Å; P295-Q297 VanDerWaalsContact C-N 3.34Å; P295-Q297 PolarHBondContact O-N 3.46Å |
| 296 | G | 89.7 | Confident | 92.7 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 77% | 0.773 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -4.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116 | T99 L294 | T99-G296 WeakPolarHBondContact O-CA 3.32Å; T99-G296 PolarHBondContact O-N 2.87Å; L294-G296 PolarHBondContact O-N 2.57Å |
| 297 | Q | 91.2 | Very high | 92.2 | Very high | 113 Ų | 113 | 58.4 Ų | 58.4 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | trans | -106.3 | 17.4 | -168.9 | -58.5 | -172.1 | 11.6 | 0 | 0 | 115.2 | L294 P295 E299 W300 | L294-Q297 HydrophobicContact CB-CB 4.34Å; L294-Q297 HydrophobicContact CB-CG 4.06Å; L294-Q297 PolarHBondContact O-N 2.8Å; P295-Q297 VanDerWaalsContact C-N 3.34Å; P295-Q297 PolarHBondContact O-N 3.46Å; Q297-E299 PolarHBondContact O-N 3.18Å; Q297-E299 VanDerWaalsContact O-N 3.16Å; Q297-W300 WeakPolarHBondContact O-CZ3 3.39Å | ||
| 298 | A | 91.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | trans | -82.1 | 92.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T99 W300 L301 | T99-A298 HydrophobicContact CG2-CB 4.24Å; T99-A298 WeakPolarHBondContact OG1-CB 3.35Å; A298-W300 VanDerWaalsContact C-N 3.34Å; A298-W300 HydrophobicContact CB-CD2 4.33Å; A298-W300 HydrophobicContact CB-CE3 4.45Å; A298-W300 HydrophobicContact CB-CH2 4.13Å; A298-W300 HydrophobicContact CB-CZ2 4.01Å; A298-W300 HydrophobicContact CB-CZ3 4.33Å; A298-L301 HydrophobicContact CB-CB 4.03Å | ||
| 299 | E | 92.2 | Very high | 90.5 | Very high | 136 Ų | 136 | 59.7 Ų | 59.7 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19 | 174.7 | -62.2 | -166.6 | 163 | 0 | 0 | 114.2 | W113 R117 Q297 L301 | W113-E299 PolarHBondContact NE1-O 3.38Å; R117-E299 PolarHBondContact NH2-O 2.9Å; Q297-E299 PolarHBondContact O-N 3.18Å; Q297-E299 VanDerWaalsContact O-N 3.16Å; E299-L301 VanDerWaalsContact C-N 3.31Å |
| 300 | W | 93.6 | Very high | 90.3 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 0.1 | 179.6 | 61.9 | 96 | 0 | 0 | 0 | 113.1 | T99 R283 G284 E287 P288 W293 Q297 A298 | T99-W300 HydrophobicContact CG2-CH2 4.14Å; T99-W300 HydrophobicContact CG2-CZ2 4.04Å; R283-W300 CarbonylContact C-O 3.46Å; R283-W300 VanDerWaalsContact CA-O 3.32Å; R283-W300 WeakPolarHBondContact CA-O 3.37Å; G284-W300 PolarHBondContact N-O 2.89Å; E287-W300 HydrophobicContact CB-CG 4.44Å; E287-W300 HydrophobicContact CG-CG 4.13Å; E287-W300 VanDerWaalsContact OE1-CD1 3.28Å; E287-W300 PolarHBondContact OE1-NE1 3.23Å; P288-W300 HydrophobicContact CG-CD2 4.18Å; P288-W300 HydrophobicContact CG-CE3 3.57Å; P288-W300 HydrophobicContact CG-CH2 3.45Å; P288-W300 VanDerWaalsContact CG-CH2 3.45Å; P288-W300 HydrophobicContact CG-CZ2 4.07Å; P288-W300 HydrophobicContact CG-CZ3 3.18Å; W293-W300 AromaticContact CD1-CH2 3.75Å; W293-W300 AromaticContact CD1-CZ2 3.84Å; W293-W300 AromaticContact CD2-CZ2 3.98Å; W293-W300 HydrophobicContact CD2-CZ2 3.98Å; W293-W300 AromaticContact CE2-CZ2 3.63Å; W293-W300 HydrophobicContact CG-CH2 4.19Å; W293-W300 HydrophobicContact CG-CZ2 4.12Å; W293-W300 HydrophobicContact CZ2-CZ2 4.13Å; W293-W300 AromaticContact NE1-CH2 3.85Å; W293-W300 AromaticContact NE1-CZ2 3.54Å; Q297-W300 WeakPolarHBondContact O-CZ3 3.39Å; A298-W300 VanDerWaalsContact C-N 3.34Å; A298-W300 HydrophobicContact CB-CD2 4.33Å; A298-W300 HydrophobicContact CB-CE3 4.45Å; A298-W300 HydrophobicContact CB-CH2 4.13Å; A298-W300 HydrophobicContact CB-CZ2 4.01Å; A298-W300 HydrophobicContact CB-CZ3 4.33Å |
| 301 | L | 94.5 | Very high | 90.1 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 125.1 | -171.8 | -165.7 | 63.7 | 0 | 0 | 0 | 111.6 | V101 V281 R283 A298 E299 | V101-L301 HydrophobicContact CG1-CD2 3.47Å; V101-L301 VanDerWaalsContact CG1-CD2 3.47Å; V101-L301 HydrophobicContact CG1-CG 3.68Å; V281-L301 HydrophobicContact CG1-CD1 3.24Å; V281-L301 HydrophobicContact CG1-CG 3.89Å; R283-L301 HydrophobicContact CB-CD1 3.37Å; A298-L301 HydrophobicContact CB-CB 4.03Å; E299-L301 VanDerWaalsContact C-N 3.31Å |
| 302 | V | 96.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | R102 M104 L110 W113 V281 V282 | R102-V302 HydrophobicContact CB-CG1 4.45Å; R102-V302 CarbonylContact O-C 3.5Å; R102-V302 VanDerWaalsContact O-CA 3.31Å; R102-V302 WeakPolarHBondContact O-CA 3.48Å; M104-V302 HydrophobicContact CE-CB 4.05Å; M104-V302 HydrophobicContact CE-CG1 3.66Å; M104-V302 HydrophobicContact CG-CB 3.89Å; M104-V302 HydrophobicContact CG-CG1 4.43Å; M104-V302 HydrophobicContact CG-CG2 4.03Å; M104-V302 HydrophobicContact SD-CB 4.33Å; M104-V302 HydrophobicContact SD-CG1 4.23Å; L110-V302 HydrophobicContact CD1-CG2 3.82Å; W113-V302 HydrophobicContact CD2-CB 4.46Å; W113-V302 HydrophobicContact CD2-CG1 3.76Å; W113-V302 HydrophobicContact CD2-CG2 3.81Å; W113-V302 VanDerWaalsContact CE2-CG1 3.5Å; W113-V302 HydrophobicContact CE3-CG1 4.46Å; W113-V302 HydrophobicContact CE3-CG2 3.65Å; W113-V302 HydrophobicContact CG-CG1 3.97Å; W113-V302 HydrophobicContact CH2-CG2 4Å; W113-V302 HydrophobicContact CZ2-CG1 3.99Å; W113-V302 HydrophobicContact CZ2-CG2 4.15Å; W113-V302 HydrophobicContact CZ3-CG2 3.76Å; V281-V302 CarbonylContact C-O 3.58Å; V281-V302 WeakPolarHBondContact CA-O 3.42Å; V282-V302 HydrophobicContact CB-CG2 3.98Å; V282-V302 PolarHBondContact N-O 3.08Å; V282-V302 PolarHBondContact O-N 2.87Å |
| 303 | A | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V101 R102 K103 M104 K125 V280 V281 | V101-A303 HydrophobicContact CB-CB 4.16Å; V101-A303 HydrophobicContact CG2-CB 3.66Å; R102-A303 PolarHBondContact O-N 2.69Å; K103-A303 CarbonylContact C-O 3.58Å; K103-A303 WeakPolarHBondContact CA-O 3.45Å; M104-A303 PolarHBondContact N-O 3.12Å; K125-A303 HydrophobicContact CD-CB 3.93Å; V280-A303 CarbonylContact O-C 3.5Å; V280-A303 WeakPolarHBondContact O-CA 3.41Å; V281-A303 HydrophobicContact CG2-CB 4.46Å |
| 304 | W | 96.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 99.7 | 171 | -174 | 24.7 | 0 | 0 | 0 | 109.6 | M104 K107 L110 V261 A262 R265 G279 V280 | M104-W304 HydrophobicContact CB-CB 4.41Å; K107-W304 HydrophobicContact CB-CH2 3.68Å; K107-W304 HydrophobicContact CB-CZ2 3.77Å; K107-W304 HydrophobicContact CD-CH2 4.44Å; K107-W304 HydrophobicContact CG-CH2 3.94Å; L110-W304 HydrophobicContact CD2-CD2 4.3Å; L110-W304 HydrophobicContact CD2-CE3 3.53Å; L110-W304 HydrophobicContact CD2-CZ3 3.89Å; V261-W304 HydrophobicContact CG1-CE3 3.97Å; V261-W304 HydrophobicContact CG1-CZ3 4.24Å; A262-W304 HydrophobicContact CB-CH2 3.79Å; A262-W304 HydrophobicContact CB-CZ3 3.81Å; R265-W304 VanDerWaalsContact CD-CE3 3.48Å; G279-W304 WeakPolarHBondContact CA-O 3.28Å; V280-W304 HydrophobicContact CG2-CB 4.09Å; V280-W304 PolarHBondContact N-O 2.87Å; V280-W304 PolarHBondContact O-N 3.03Å |
| 305 | K | 91.9 | Very high | 90.5 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 157.5 | -176.3 | -75.2 | -164.7 | 173.6 | -165.9 | 0 | 112.3 | D63 R265 D278 | D63-K305 IonicContact OD2-NZ 3.71Å; D63-K305 PolarHBondContact OD2-NZ 3.36Å; R265-K305 PolarHBondContact NE-O 3.11Å; R265-K305 VanDerWaalsContact NE-O 3.13Å; R265-K305 PolarHBondContact NH2-O 2.97Å; D278-K305 CarbonylContact O-C 3.22Å; D278-K305 WeakPolarHBondContact O-CA 3.43Å; D278-K305 WeakPolarHBondContact O-CB 3.09Å; D278-K305 VanDerWaalsContact OD2-CE 3.24Å; D278-K305 WeakPolarHBondContact OD2-CE 3.39Å; D278-K305 IonicContact OD2-NZ 2.65Å |
| 306 | Y | 89.2 | Confident | 90.7 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 158.4 | 165 | -59.5 | -51.7 | 0 | 0 | 0 | 111.4 | Q191 R265 W269 T277 D278 G279 | Q191-Y306 HydrophobicContact CB-CE2 4.27Å; Q191-Y306 HydrophobicContact CG-CD2 3.6Å; Q191-Y306 HydrophobicContact CG-CE2 3.76Å; R265-Y306 HydrophobicContact CG-CD1 3.94Å; R265-Y306 HydrophobicContact CG-CE1 3.57Å; R265-Y306 VanDerWaalsContact NH2-CA 3.27Å; R265-Y306 WeakPolarHBondContact O-CE1 3.47Å; W269-Y306 HydrophobicContact CB-CD1 3.95Å; W269-Y306 HydrophobicContact CB-CE1 3.58Å; W269-Y306 AromaticContact CD1-CD1 3.75Å; W269-Y306 AromaticContact CD1-CD2 3.92Å; W269-Y306 AromaticContact CD1-CG 3.68Å; W269-Y306 AromaticContact CG-CD1 3.86Å; W269-Y306 HydrophobicContact CG-CD1 3.86Å; W269-Y306 HydrophobicContact CG-CE1 4Å; W269-Y306 HydrophobicContact CG-CG 4.26Å; W269-Y306 PolarHBondContact N-OH 3.18Å; T277-Y306 WeakPolarHBondContact O-CD2 3.3Å; T277-Y306 VanDerWaalsContact O-CE2 3.29Å; T277-Y306 WeakPolarHBondContact O-CE2 3.45Å; T277-Y306 VanDerWaalsContact OG1-CE2 3.26Å; T277-Y306 WeakPolarHBondContact OG1-CE2 3.33Å; T277-Y306 PolarHBondContact OG1-OH 2.9Å; D278-Y306 VanDerWaalsContact C-CD2 3.47Å; D278-Y306 PolarHBondContact O-N 3.42Å; G279-Y306 VanDerWaalsContact N-CE2 3.31Å |
| 307 | Q | 77.2 | Confident | 91 | Very high | 107 Ų | 107 | 39.2 Ų | 39.2 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 132.1 | 165.3 | -72.6 | -62.2 | -23.7 | 0 | 0 | 108 | V309 | Q307-V309 PolarHBondContact O-N 3.34Š|
| 308 | P | 72.1 | Confident | 91.4 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -55.8 | 137.7 | 173.4 | -23.9 | 32.5 | 0 | 0 | 0 | 111 | A310 | P308-A310 VanDerWaalsContact CB-O 3.22Å; P308-A310 WeakPolarHBondContact CB-O 3.16Å; P308-A310 PolarHBondContact O-N 2.8Å |
| 309 | V | 76.3 | Confident | 91.6 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -65 | -28.8 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | Q307 S369 | Q307-V309 PolarHBondContact O-N 3.34Å; V309-S369 WeakPolarHBondContact O-CB 3.48Å |
| 310 | A | 86.5 | Confident | 91.8 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q64 P308 L367 V368 | Q64-A310 PolarHBondContact NE2-O 2.79Å; P308-A310 VanDerWaalsContact CB-O 3.22Å; P308-A310 WeakPolarHBondContact CB-O 3.16Å; P308-A310 PolarHBondContact O-N 2.8Å; A310-L367 HydrophobicContact CB-CD1 3.55Å; A310-L367 HydrophobicContact CB-CD2 4.09Å; A310-L367 HydrophobicContact CB-CG 3.65Å; A310-V368 CarbonylContact C-O 3.52Å; A310-V368 VanDerWaalsContact CA-O 3.23Å; A310-V368 WeakPolarHBondContact CA-O 3.22Å |
| 311 | Q | 90.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.6 | -178.2 | -64.6 | -81.2 | -28.6 | 0 | 0 | 110.6 | Q64 A313 V337 M338 L339 V368 | Q64-Q311 VanDerWaalsContact OE1-CA 3.29Å; Q311-A313 PolarHBondContact O-N 2.81Å; Q311-V337 HydrophobicContact CB-CG2 3.45Å; Q311-V337 VanDerWaalsContact CB-CG2 3.45Å; Q311-V337 HydrophobicContact CG-CG2 4.08Å; Q311-M338 WeakPolarHBondContact CG-O 3.45Å; Q311-L339 HydrophobicContact CB-CD2 3.74Å; Q311-L339 HydrophobicContact CB-CG 4.34Å; Q311-L339 HydrophobicContact CG-CD2 3.46Å; Q311-L339 VanDerWaalsContact CG-CD2 3.46Å; Q311-L339 HydrophobicContact CG-CG 4.21Å; Q311-V368 PolarHBondContact N-O 2.78Å; Q311-V368 PolarHBondContact O-N 2.78Å |
| 312 | V | 94.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.3 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | Q64 L65 Q365 I366 L367 V382 | Q64-V312 HydrophobicContact CB-CB 4.08Å; Q64-V312 HydrophobicContact CB-CG2 3.75Å; Q64-V312 HydrophobicContact CG-CG2 4.44Å; L65-V312 HydrophobicContact CD2-CG1 4.12Å; V312-Q365 HydrophobicContact CG1-CB 3.61Å; V312-Q365 HydrophobicContact CG1-CG 4.34Å; V312-I366 CarbonylContact C-O 3.55Å; V312-I366 WeakPolarHBondContact CA-O 3.4Å; V312-L367 HydrophobicContact CG2-CD1 4.06Å; V312-V382 HydrophobicContact CG1-CG2 3.81Å; V312-V382 HydrophobicContact CG2-CG2 3.98Å |
| 313 | A | 95.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q311 L334 V337 Q365 I366 V368 | Q311-A313 PolarHBondContact O-N 2.81Å; A313-L334 HydrophobicContact CB-CB 4.29Å; A313-L334 HydrophobicContact CB-CD1 4.01Å; A313-L334 HydrophobicContact CB-CD2 4.5Å; A313-L334 HydrophobicContact CB-CG 4.5Å; A313-V337 HydrophobicContact CB-CB 4.34Å; A313-V337 HydrophobicContact CB-CG1 4.02Å; A313-Q365 WeakPolarHBondContact O-CA 3.49Å; A313-I366 PolarHBondContact N-O 2.82Å; A313-I366 PolarHBondContact O-N 3.27Å; A313-V368 HydrophobicContact CB-CG2 4.06Å |
| 314 | E | 95.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 130.8 | 173.7 | -179.4 | -171.1 | 154.8 | 0 | 0 | 109.7 | R68 K316 L334 A335 | R68-E314 IonicContact NH1-OE2 3.06Å; E314-K316 PolarHBondContact O-N 3.35Å; E314-K316 WeakPolarHBondContact OE1-CE 3.37Å; E314-K316 IonicContact OE1-NZ 3.7Å; E314-K316 PolarHBondContact OE1-NZ 3.07Å; E314-K316 IonicContact OE2-NZ 2.77Å; E314-K316 PolarHBondContact OE2-NZ 3.05Å; E314-K316 VanDerWaalsContact OE2-NZ 3.1Å; E314-L334 CarbonylContact O-C 3.57Å; E314-L334 VanDerWaalsContact O-CA 3.29Å; E314-L334 WeakPolarHBondContact O-CA 3.37Å; E314-A335 HydrophobicContact CB-CB 3.92Å; E314-A335 PolarHBondContact O-N 2.88Å |
| 315 | V | 97.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 114.5 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | I318 A332 L334 I360 P362 G363 D364 I366 | V315-I318 HydrophobicContact CG1-CD1 3.71Å; V315-I318 HydrophobicContact CG1-CG1 4.34Å; V315-A332 HydrophobicContact CG1-CB 4.33Å; V315-L334 HydrophobicContact CG2-CD2 4.11Å; V315-I360 HydrophobicContact CB-CG2 4.46Å; V315-I360 HydrophobicContact CG1-CG2 4.16Å; V315-I360 HydrophobicContact CG2-CG2 3.86Å; V315-P362 WeakPolarHBondContact O-CA 3.42Å; V315-G363 PolarHBondContact O-N 3.2Å; V315-D364 PolarHBondContact N-O 2.94Å; V315-I366 HydrophobicContact CG2-CB 4.46Å; V315-I366 HydrophobicContact CG2-CD1 3.92Å; V315-I366 HydrophobicContact CG2-CG1 3.88Å; V315-I366 HydrophobicContact CG2-CG2 3.77Å |
| 316 | K | 95.8 | Very high | 89.6 | Confident | 101 Ų | 101 | 41.5 Ų | 41.5 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -39.7 | 178.3 | -69.7 | -66.9 | -177.8 | -167.4 | 0 | 112.7 | E314 S333 A335 | E314-K316 PolarHBondContact O-N 3.35Å; E314-K316 WeakPolarHBondContact OE1-CE 3.37Å; E314-K316 IonicContact OE1-NZ 3.7Å; E314-K316 PolarHBondContact OE1-NZ 3.07Å; E314-K316 IonicContact OE2-NZ 2.77Å; E314-K316 PolarHBondContact OE2-NZ 3.05Å; E314-K316 VanDerWaalsContact OE2-NZ 3.1Å; K316-S333 PolarHBondContact N-O 3.18Å; K316-A335 HydrophobicContact CG-CB 4.43Å |
| 317 | A | 96.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 156.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S333 | A317-S333 PolarHBondContact N-O 3.4Å; A317-S333 PolarHBondContact O-N 3.41Å |
| 318 | I | 98 | Very high | 90.5 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.8 | 169.8 | -59.3 | -60.9 | 0 | 0 | 0 | 107.9 | V315 F320 V330 A332 I349 W355 I360 P362 P391 | V315-I318 HydrophobicContact CG1-CD1 3.71Å; V315-I318 HydrophobicContact CG1-CG1 4.34Å; I318-F320 HydrophobicContact CG2-CE1 4.38Å; I318-F320 HydrophobicContact CG2-CE2 4.39Å; I318-F320 HydrophobicContact CG2-CZ 4.02Å; I318-V330 HydrophobicContact CG2-CG1 3.45Å; I318-V330 VanDerWaalsContact CG2-CG1 3.45Å; I318-A332 HydrophobicContact CD1-CB 3.78Å; I318-I349 HydrophobicContact CD1-CD1 3.79Å; I318-W355 HydrophobicContact CG2-CZ2 4.32Å; I318-I360 HydrophobicContact CD1-CG2 4.04Å; I318-P362 HydrophobicContact CG1-CG 4.49Å; I318-P391 HydrophobicContact CB-CG 3.74Å; I318-P391 HydrophobicContact CG2-CG 4.16Å |
| 319 | Q | 96.9 | Very high | 91.5 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 43% | 0.425 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143.2 | -178.1 | -67.4 | 167.6 | -2.6 | 0 | 0 | 109.7 | V330 V331 S333 | Q319-V330 WeakPolarHBondContact O-CA 3.38Å; Q319-V331 PolarHBondContact N-O 3.22Å; Q319-V331 PolarHBondContact O-N 2.93Å; Q319-S333 PolarHBondContact NE2-OG 3.05Å; Q319-S333 VanDerWaalsContact NE2-OG 3.09Å |
| 320 | F | 95.7 | Very high | 92.6 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.4 | 177 | -57.5 | -80.7 | 0 | 0 | 0 | 109.1 | I318 I328 S329 V330 V352 W355 P391 P393 P394 | I318-F320 HydrophobicContact CG2-CE1 4.38Å; I318-F320 HydrophobicContact CG2-CE2 4.39Å; I318-F320 HydrophobicContact CG2-CZ 4.02Å; F320-I328 HydrophobicContact CB-CG2 4Å; F320-I328 HydrophobicContact CD1-CG2 4Å; F320-I328 HydrophobicContact CG-CG2 4.45Å; F320-S329 WeakPolarHBondContact CA-O 3.29Å; F320-V330 HydrophobicContact CD1-CG1 4.32Å; F320-V330 HydrophobicContact CD1-CG2 3.84Å; F320-V330 HydrophobicContact CE1-CG1 4.06Å; F320-V330 HydrophobicContact CE1-CG2 3.85Å; F320-V352 HydrophobicContact CD1-CG2 4.35Å; F320-V352 HydrophobicContact CE1-CG2 4.41Å; F320-W355 AromaticContact CE1-CE3 3.97Å; F320-W355 HydrophobicContact CE1-CE3 3.97Å; F320-W355 AromaticContact CE1-CZ3 3.97Å; F320-W355 HydrophobicContact CE1-CZ3 3.97Å; F320-W355 HydrophobicContact CZ-CE3 4.14Å; F320-W355 AromaticContact CZ-CH2 3.94Å; F320-W355 HydrophobicContact CZ-CH2 3.94Å; F320-W355 AromaticContact CZ-CZ3 3.74Å; F320-W355 HydrophobicContact CZ-CZ3 3.74Å; F320-P391 HydrophobicContact CE2-CB 4.01Å; F320-P391 HydrophobicContact CE2-CG 3.85Å; F320-P391 HydrophobicContact CZ-CG 4.22Å; F320-P393 HydrophobicContact CD1-CB 4.04Å; F320-P393 HydrophobicContact CE1-CB 3.66Å; F320-P393 HydrophobicContact CE2-CB 4.45Å; F320-P393 HydrophobicContact CZ-CB 3.89Å; F320-P394 VanDerWaalsContact CB-CD 3.47Å; F320-P394 HydrophobicContact CB-CG 3.89Å; F320-P394 VanDerWaalsContact CG-CD 3.45Å; F320-P394 HydrophobicContact CG-CG 4.4Å |
| 321 | A | 90.1 | Very high | 93.1 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 41% | 0.405 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S329 | A321-S329 PolarHBondContact N-O 3.48Å; A321-S329 PolarHBondContact O-N 3.33Å; A321-S329 PolarHBondContact O-OG 2.77Å |
| 322 | V | 88.6 | Confident | 93.4 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 26% | 0.261 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 116.2 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 108 | I328 F398 | V322-I328 HydrophobicContact CG2-CG1 4.24Å; V322-F398 HydrophobicContact CB-CD2 4.42Å; V322-F398 HydrophobicContact CG1-CB 4.34Å; V322-F398 HydrophobicContact CG1-CD2 3.48Å; V322-F398 VanDerWaalsContact CG1-CD2 3.48Å; V322-F398 HydrophobicContact CG1-CE2 4.13Å; V322-F398 HydrophobicContact CG1-CG 4.26Å; V322-F398 HydrophobicContact CG2-CD2 4.28Å; V322-F398 HydrophobicContact CG2-CE2 4.39Å |
| 323 | G | 87.1 | Confident | 93.6 | Very high | 26 Ų | 26 | 40 Ų | 40 | 27% | 0.268 | 22% | 0.22 | S | C | . | . | trans | -81.3 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S325 G326 K327 Q413 | G323-S325 PolarHBondContact O-N 3.23Å; G323-G326 WeakPolarHBondContact O-CA 3.46Å; G323-G326 PolarHBondContact O-N 3.14Å; G323-K327 PolarHBondContact N-O 3.48Å; G323-Q413 PolarHBondContact O-NE2 3.47Å | ||
| 324 | K | 86.6 | Confident | 93.6 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 41% | 0.413 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -25.8 | 175 | -67.6 | -179.1 | -179.2 | 177.8 | 0 | 115.8 | S416 E434 | K324-S416 VanDerWaalsContact O-CB 3.26Å; K324-S416 WeakPolarHBondContact O-CB 3.45Å; K324-S416 PolarHBondContact O-OG 3.19Å; K324-E434 IonicContact NZ-OE1 3.98Å; K324-E434 PolarHBondContact NZ-OE1 3.31Å; K324-E434 IonicContact NZ-OE2 2.53Å; K324-E434 PolarHBondContact NZ-OE2 3.37Å |
| 325 | S | 85 | Confident | 93.6 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -9.9 | 177.3 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | G323 K327 R417 | G323-S325 PolarHBondContact O-N 3.23Å; S325-K327 VanDerWaalsContact C-N 3.31Å; S325-K327 WeakPolarHBondContact OG-CG 3.32Å; S325-K327 PolarHBondContact OG-N 3.09Å; S325-R417 PolarHBondContact O-NH2 3.29Å |
| 326 | G | 86.9 | Confident | 93.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 90.2 | -13 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G323 I328 F398 | G323-G326 WeakPolarHBondContact O-CA 3.46Å; G323-G326 PolarHBondContact O-N 3.14Å; G326-I328 PolarHBondContact O-N 2.83Å; G326-F398 CarbonylContact C-O 3.59Å; G326-F398 WeakPolarHBondContact CA-O 3.46Å |
| 327 | K | 90.7 | Very high | 93.2 | Very high | 158 Ų | 158 | 39.9 Ų | 39.9 | 69% | 0.687 | 23% | 0.232 | S | C | * | . | P | Polyproline II helix | trans | -66 | 133.9 | 178.2 | -66.9 | -179.4 | -178.6 | 178.8 | 0 | 111.2 | G323 S325 | G323-K327 PolarHBondContact N-O 3.48Å; S325-K327 VanDerWaalsContact C-N 3.31Å; S325-K327 WeakPolarHBondContact OG-CG 3.32Å; S325-K327 PolarHBondContact OG-N 3.09Å |
| 328 | I | 93.4 | Very high | 92.8 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.8 | 173.5 | -57.3 | 162.1 | 0 | 0 | 0 | 109.1 | F320 V322 G326 V352 P394 N396 | F320-I328 HydrophobicContact CB-CG2 4Å; F320-I328 HydrophobicContact CD1-CG2 4Å; F320-I328 HydrophobicContact CG-CG2 4.45Å; V322-I328 HydrophobicContact CG2-CG1 4.24Å; G326-I328 PolarHBondContact O-N 2.83Å; I328-V352 HydrophobicContact CB-CG2 3.87Å; I328-V352 HydrophobicContact CG2-CG2 3.59Å; I328-P394 HydrophobicContact CD1-CG 4.01Å; I328-P394 VanDerWaalsContact CD1-O 3.23Å; I328-P394 WeakPolarHBondContact CD1-O 3.06Å; I328-P394 HydrophobicContact CG1-CG 4.36Å; I328-P394 HydrophobicContact CG2-CG 4.24Å; I328-N396 HydrophobicContact CD1-CB 4.41Å |
| 329 | S | 94.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 146.3 | 169.4 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | F320 A321 G350 | F320-S329 WeakPolarHBondContact CA-O 3.29Å; A321-S329 PolarHBondContact N-O 3.48Å; A321-S329 PolarHBondContact O-N 3.33Å; A321-S329 PolarHBondContact O-OG 2.77Å; S329-G350 CarbonylContact C-O 3.5Å; S329-G350 WeakPolarHBondContact CA-O 3.28Å |
| 330 | V | 97.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.7 | -179.9 | -168.2 | 0 | 0 | 0 | 0 | 109.4 | I318 Q319 F320 N348 I349 G350 V352 W355 | I318-V330 HydrophobicContact CG2-CG1 3.45Å; I318-V330 VanDerWaalsContact CG2-CG1 3.45Å; Q319-V330 WeakPolarHBondContact O-CA 3.38Å; F320-V330 HydrophobicContact CD1-CG1 4.32Å; F320-V330 HydrophobicContact CD1-CG2 3.84Å; F320-V330 HydrophobicContact CE1-CG1 4.06Å; F320-V330 HydrophobicContact CE1-CG2 3.85Å; V330-N348 PolarHBondContact O-OD1 2.9Å; V330-I349 HydrophobicContact CB-CB 4.22Å; V330-I349 HydrophobicContact CB-CD1 4.49Å; V330-I349 HydrophobicContact CG1-CB 4.4Å; V330-I349 HydrophobicContact CG1-CD1 3.76Å; V330-I349 PolarHBondContact O-N 3.43Å; V330-G350 PolarHBondContact N-O 2.87Å; V330-G350 PolarHBondContact O-N 3.38Å; V330-V352 HydrophobicContact CG2-CB 4.39Å; V330-V352 HydrophobicContact CG2-CG2 3.9Å; V330-W355 HydrophobicContact CB-CB 4.14Å; V330-W355 HydrophobicContact CG1-CB 3.96Å; V330-W355 HydrophobicContact CG1-CD2 4.27Å; V330-W355 HydrophobicContact CG1-CG 3.85Å; V330-W355 HydrophobicContact CG2-CB 4Å |
| 331 | V | 97.3 | Very high | 90.2 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 17% | 0.17 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.3 | 178.1 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | Q319 Q346 | Q319-V331 PolarHBondContact N-O 3.22Å; Q319-V331 PolarHBondContact O-N 2.93Å; V331-Q346 HydrophobicContact CG1-CB 4.16Å; V331-Q346 HydrophobicContact CG1-CG 4.5Å |
| 332 | A | 97.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V315 I318 L334 Q346 V347 I349 | V315-A332 HydrophobicContact CG1-CB 4.33Å; I318-A332 HydrophobicContact CD1-CB 3.78Å; A332-L334 HydrophobicContact CB-CD2 4.08Å; A332-Q346 VanDerWaalsContact O-CA 3.3Å; A332-Q346 WeakPolarHBondContact O-CA 3.33Å; A332-V347 HydrophobicContact CB-CG1 3.87Å; A332-V347 PolarHBondContact N-O 2.78Å; A332-V347 PolarHBondContact O-N 2.95Å; A332-I349 HydrophobicContact CB-CD1 3.77Å; A332-I349 HydrophobicContact CB-CG1 4.19Å |
| 333 | S | 97.6 | Very high | 89.9 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.9 | 164 | -69.8 | 0 | 0 | 0 | 0 | 109.1 | K316 A317 Q319 | K316-S333 PolarHBondContact N-O 3.18Å; A317-S333 PolarHBondContact N-O 3.4Å; A317-S333 PolarHBondContact O-N 3.41Å; Q319-S333 PolarHBondContact NE2-OG 3.05Å; Q319-S333 VanDerWaalsContact NE2-OG 3.09Å |
| 334 | L | 96.8 | Very high | 90.2 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 151.1 | -172.3 | -52.5 | -179.9 | 0 | 0 | 0 | 111.1 | A313 E314 V315 A332 V344 Q345 V347 I366 V368 | A313-L334 HydrophobicContact CB-CB 4.29Å; A313-L334 HydrophobicContact CB-CD1 4.01Å; A313-L334 HydrophobicContact CB-CD2 4.5Å; A313-L334 HydrophobicContact CB-CG 4.5Å; E314-L334 CarbonylContact O-C 3.57Å; E314-L334 VanDerWaalsContact O-CA 3.29Å; E314-L334 WeakPolarHBondContact O-CA 3.37Å; V315-L334 HydrophobicContact CG2-CD2 4.11Å; A332-L334 HydrophobicContact CB-CD2 4.08Å; L334-V344 HydrophobicContact CD1-CG1 4.31Å; L334-Q345 PolarHBondContact N-O 2.92Å; L334-V347 HydrophobicContact CD1-CB 4.13Å; L334-V347 HydrophobicContact CD1-CG1 3.79Å; L334-V347 HydrophobicContact CD2-CG1 4.07Å; L334-V347 HydrophobicContact CG-CG1 4.15Å; L334-I366 HydrophobicContact CD2-CD1 3.65Å; L334-I366 HydrophobicContact CD2-CG1 4.2Å; L334-V368 HydrophobicContact CD1-CG2 3.99Å |
| 335 | A | 94.5 | Very high | 90.7 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 134.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | E314 K316 V337 | E314-A335 HydrophobicContact CB-CB 3.92Å; E314-A335 PolarHBondContact O-N 2.88Å; K316-A335 HydrophobicContact CG-CB 4.43Å; A335-V337 PolarHBondContact O-N 3.17Å |
| 336 | P | 94.4 | Very high | 91.2 | Very high | 77 Ų | 77 | 55.2 Ų | 55.2 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 126.6 | -176.2 | -20.6 | 28.8 | 0 | 0 | 0 | 112.1 | K343 Q345 | P336-K343 VanDerWaalsContact CB-CE 3.42Å; P336-K343 HydrophobicContact CB-CG 4.36Å; P336-Q345 HydrophobicContact CB-CG 3.86Å; P336-Q345 HydrophobicContact CG-CG 3.98Å |
| 337 | V | 91.3 | Very high | 91.7 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143 | 178.5 | 69.8 | 0 | 0 | 0 | 0 | 109.8 | Q311 A313 A335 L339 V344 | Q311-V337 HydrophobicContact CB-CG2 3.45Å; Q311-V337 VanDerWaalsContact CB-CG2 3.45Å; Q311-V337 HydrophobicContact CG-CG2 4.08Å; A313-V337 HydrophobicContact CB-CB 4.34Å; A313-V337 HydrophobicContact CB-CG1 4.02Å; A335-V337 PolarHBondContact O-N 3.17Å; V337-L339 HydrophobicContact CG1-CD1 4.47Å; V337-V344 HydrophobicContact CG1-CB 4.11Å; V337-V344 PolarHBondContact N-O 2.83Å; V337-V344 PolarHBondContact O-N 2.93Å |
| 338 | M | 87.5 | Confident | 91.9 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 51% | 0.507 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121.1 | 174.3 | -67.6 | -58.5 | -59.7 | 0 | 0 | 109.1 | Q311 K342 K343 | Q311-M338 WeakPolarHBondContact CG-O 3.45Å; M338-K342 WeakPolarHBondContact CA-O 3.47Å; M338-K343 HydrophobicContact SD-CB 3.71Å; M338-K343 HydrophobicContact SD-CG 4.13Å |
| 339 | L | 85.1 | Confident | 92.1 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 108.4 | 171.2 | -77.8 | 166.6 | 0 | 0 | 0 | 107.7 | Q311 V337 D341 K342 V344 V368 L370 | Q311-L339 HydrophobicContact CB-CD2 3.74Å; Q311-L339 HydrophobicContact CB-CG 4.34Å; Q311-L339 HydrophobicContact CG-CD2 3.46Å; Q311-L339 VanDerWaalsContact CG-CD2 3.46Å; Q311-L339 HydrophobicContact CG-CG 4.21Å; V337-L339 HydrophobicContact CG1-CD1 4.47Å; L339-D341 PolarHBondContact O-N 3.26Å; L339-K342 PolarHBondContact N-O 2.97Å; L339-K342 PolarHBondContact O-N 2.86Å; L339-V344 HydrophobicContact CB-CG2 4.24Å; L339-V344 HydrophobicContact CD1-CB 4.21Å; L339-V344 HydrophobicContact CD1-CG2 3.86Å; L339-V344 HydrophobicContact CG-CG2 4.49Å; L339-V368 HydrophobicContact CD1-CB 4.18Å; L339-V368 HydrophobicContact CD1-CG1 3.75Å; L339-V368 WeakPolarHBondContact CD2-O 3.32Å; L339-L370 HydrophobicContact CB-CD1 4.03Å; L339-L370 HydrophobicContact CB-CD2 4.35Å; L339-L370 HydrophobicContact CB-CG 3.95Å; L339-L370 HydrophobicContact CD1-CD2 4.33Å; L339-L370 HydrophobicContact CD1-CG 4.41Å |
| 340 | D | 75.9 | Confident | 92.1 | Very high | 118 Ų | 118 | 50.8 Ų | 50.8 | 63% | 0.631 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | -119.5 | -168.7 | -159.9 | 13.9 | 0 | 0 | 0 | 111.4 | L370 | D340-L370 HydrophobicContact CB-CD1 4.45Š|
| 341 | D | 75.2 | Confident | 92 | Very high | 124 Ų | 124 | 53.4 Ų | 53.4 | 66% | 0.663 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1 | 175.8 | 65.6 | -26.1 | 0 | 0 | 0 | 113.5 | L339 | L339-D341 PolarHBondContact O-N 3.26Š|
| 342 | K | 80.9 | Confident | 91.9 | Very high | 82 Ų | 82 | 53.3 Ų | 53.3 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.4 | -175.1 | -55.8 | -169.8 | -173.3 | -171.9 | 0 | 112.4 | M338 L339 L370 Q373 G374 | M338-K342 WeakPolarHBondContact CA-O 3.47Å; L339-K342 PolarHBondContact N-O 2.97Å; L339-K342 PolarHBondContact O-N 2.86Å; K342-L370 HydrophobicContact CD-CD1 4.19Å; K342-Q373 PolarHBondContact NZ-O 2.76Å; K342-G374 PolarHBondContact NZ-O 3.05Å; K342-G374 VanDerWaalsContact NZ-O 3.15Å |
| 343 | K | 91.6 | Very high | 91.8 | Very high | 130 Ų | 130 | 61.7 Ų | 61.7 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 111.1 | 167 | -173.8 | 178.7 | 177.2 | -176.3 | 0 | 109.5 | P336 M338 | P336-K343 VanDerWaalsContact CB-CE 3.42Å; P336-K343 HydrophobicContact CB-CG 4.36Å; M338-K343 HydrophobicContact SD-CB 3.71Å; M338-K343 HydrophobicContact SD-CG 4.13Å |
| 344 | V | 93.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128 | -180 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | L334 V337 L339 L370 P376 | L334-V344 HydrophobicContact CD1-CG1 4.31Å; V337-V344 HydrophobicContact CG1-CB 4.11Å; V337-V344 PolarHBondContact N-O 2.83Å; V337-V344 PolarHBondContact O-N 2.93Å; L339-V344 HydrophobicContact CB-CG2 4.24Å; L339-V344 HydrophobicContact CD1-CB 4.21Å; L339-V344 HydrophobicContact CD1-CG2 3.86Å; L339-V344 HydrophobicContact CG-CG2 4.49Å; V344-L370 HydrophobicContact CG2-CD2 4.32Å; V344-P376 HydrophobicContact CB-CG 4.46Å; V344-P376 HydrophobicContact CG1-CB 3.81Å; V344-P376 HydrophobicContact CG1-CG 3.68Å; V344-P376 HydrophobicContact CG2-CG 3.89Å |
| 345 | Q | 96.4 | Very high | 91.7 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | -6.8 | 177.9 | -66.2 | -177.3 | -105.8 | 0 | 0 | 112.7 | L334 P336 | L334-Q345 PolarHBondContact N-O 2.92Å; P336-Q345 HydrophobicContact CB-CG 3.86Å; P336-Q345 HydrophobicContact CG-CG 3.98Å |
| 346 | Q | 96.4 | Very high | 91.8 | Very high | 109 Ų | 109 | 71.3 Ų | 71.3 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 145.3 | 179.4 | -68.9 | -174 | -17 | 0 | 0 | 109.6 | V331 A332 | V331-Q346 HydrophobicContact CG1-CB 4.16Å; V331-Q346 HydrophobicContact CG1-CG 4.5Å; A332-Q346 VanDerWaalsContact O-CA 3.3Å; A332-Q346 WeakPolarHBondContact O-CA 3.33Å |
| 347 | V | 96.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 135.7 | 173.3 | 64.7 | 0 | 0 | 0 | 0 | 109.9 | A332 L334 I366 P376 I378 | A332-V347 HydrophobicContact CB-CG1 3.87Å; A332-V347 PolarHBondContact N-O 2.78Å; A332-V347 PolarHBondContact O-N 2.95Å; L334-V347 HydrophobicContact CD1-CB 4.13Å; L334-V347 HydrophobicContact CD1-CG1 3.79Å; L334-V347 HydrophobicContact CD2-CG1 4.07Å; L334-V347 HydrophobicContact CG-CG1 4.15Å; V347-I366 HydrophobicContact CG1-CD1 3.97Å; V347-P376 HydrophobicContact CB-CB 4.28Å; V347-P376 HydrophobicContact CG2-CB 4.04Å; V347-I378 HydrophobicContact CB-CG1 4.4Å; V347-I378 HydrophobicContact CG1-CD1 3.92Å; V347-I378 HydrophobicContact CG1-CG1 3.81Å; V347-I378 HydrophobicContact CG2-CD1 4.43Å; V347-I378 HydrophobicContact CG2-CG1 3.66Å |
| 348 | N | 95.9 | Very high | 92.2 | Very high | 99 Ų | 99 | 75.8 Ų | 75.8 | 53% | 0.529 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 123.8 | 177.8 | -168.8 | -30.6 | 0 | 0 | 0 | 109.5 | V330 G350 | V330-N348 PolarHBondContact O-OD1 2.9Å; N348-G350 WeakPolarHBondContact OD1-CA 3.37Å; N348-G350 PolarHBondContact OD1-N 2.91Å |
| 349 | I | 96.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -30.5 | 176.1 | -62.1 | 160.7 | 0 | 0 | 0 | 110.7 | I318 V330 A332 R354 W355 I360 I378 | I318-I349 HydrophobicContact CD1-CD1 3.79Å; V330-I349 HydrophobicContact CB-CB 4.22Å; V330-I349 HydrophobicContact CB-CD1 4.49Å; V330-I349 HydrophobicContact CG1-CB 4.4Å; V330-I349 HydrophobicContact CG1-CD1 3.76Å; V330-I349 PolarHBondContact O-N 3.43Å; A332-I349 HydrophobicContact CB-CD1 3.77Å; A332-I349 HydrophobicContact CB-CG1 4.19Å; I349-R354 WeakPolarHBondContact O-CD 3.48Å; I349-R354 WeakPolarHBondContact O-CG 3.32Å; I349-R354 PolarHBondContact O-NE 3.33Å; I349-W355 HydrophobicContact CD1-CG 4.44Å; I349-W355 HydrophobicContact CG2-CB 3.69Å; I349-W355 HydrophobicContact CG2-CG 4.49Å; I349-I360 HydrophobicContact CD1-CD1 4.47Å; I349-I360 HydrophobicContact CG1-CD1 4.49Å; I349-I378 HydrophobicContact CB-CD1 4.44Å; I349-I378 HydrophobicContact CG1-CD1 3.56Å |
| 350 | G | 95 | Very high | 93.2 | Very high | 24 Ų | 24 | 72.9 Ų | 72.9 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.3 | -125.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | S329 V330 N348 | S329-G350 CarbonylContact C-O 3.5Å; S329-G350 WeakPolarHBondContact CA-O 3.28Å; V330-G350 PolarHBondContact N-O 2.87Å; V330-G350 PolarHBondContact O-N 3.38Å; N348-G350 WeakPolarHBondContact OD1-CA 3.37Å; N348-G350 PolarHBondContact OD1-N 2.91Å |
| 351 | S | 94.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 162 | -179.2 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | R353 R354 W355 | S351-R353 PolarHBondContact O-N 2.81Å; S351-R354 PolarHBondContact O-N 2.85Å; S351-R354 VanDerWaalsContact O-N 3.1Å; S351-R354 WeakPolarHBondContact OG-CB 3.34Å; S351-R354 PolarHBondContact OG-N 3Å; S351-R354 VanDerWaalsContact OG-N 3.12Å; S351-W355 PolarHBondContact O-N 3.11Å |
| 352 | V | 95.7 | Very high | 95.3 | Very high | 25 Ų | 25 | 63 Ų | 63 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.5 | -42.4 | 171.1 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | F320 I328 V330 R354 W355 Q356 P393 | F320-V352 HydrophobicContact CD1-CG2 4.35Å; F320-V352 HydrophobicContact CE1-CG2 4.41Å; I328-V352 HydrophobicContact CB-CG2 3.87Å; I328-V352 HydrophobicContact CG2-CG2 3.59Å; V330-V352 HydrophobicContact CG2-CB 4.39Å; V330-V352 HydrophobicContact CG2-CG2 3.9Å; V352-R354 PolarHBondContact O-N 2.9Å; V352-W355 HydrophobicContact CG1-CE3 4.27Å; V352-W355 PolarHBondContact O-N 2.84Å; V352-Q356 WeakPolarHBondContact O-CG 3.47Å; V352-Q356 PolarHBondContact O-N 2.7Å; V352-P393 HydrophobicContact CG1-CB 3.88Å; V352-P393 HydrophobicContact CG1-CG 3.92Å; V352-P393 HydrophobicContact CG2-CB 4.13Å |
| 353 | R | 95.6 | Very high | 95.9 | Very high | 176 Ų | 176 | 59.4 Ų | 59.4 | 66% | 0.664 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -57.7 | -49.1 | 174.8 | 176.3 | -179.6 | 168.6 | 173.1 | 1.7 | 111.7 | S351 W355 Q356 E357 | S351-R353 PolarHBondContact O-N 2.81Å; R353-W355 VanDerWaalsContact C-N 3.31Å; R353-W355 PolarHBondContact O-N 3.17Å; R353-Q356 WeakPolarHBondContact O-CB 3.42Å; R353-Q356 PolarHBondContact O-N 3.1Å; R353-E357 WeakPolarHBondContact CG-OE1 3.46Å; R353-E357 IonicContact CZ-OE1 4Å; R353-E357 IonicContact NE-OE1 2.82Å; R353-E357 PolarHBondContact NE-OE1 2.89Å; R353-E357 IonicContact NH2-OE1 2.71Å; R353-E357 PolarHBondContact NH2-OE1 2.67Å; R353-E357 WeakPolarHBondContact O-CG 3.44Å; R353-E357 PolarHBondContact O-N 2.94Å |
| 354 | R | 96.4 | Very high | 96.2 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 179.3 | 179.9 | 164.9 | 172.9 | 167.2 | 5.3 | 111.1 | I349 S351 V352 Q356 E357 W358 | I349-R354 WeakPolarHBondContact O-CD 3.48Å; I349-R354 WeakPolarHBondContact O-CG 3.32Å; I349-R354 PolarHBondContact O-NE 3.33Å; S351-R354 PolarHBondContact O-N 2.85Å; S351-R354 VanDerWaalsContact O-N 3.1Å; S351-R354 WeakPolarHBondContact OG-CB 3.34Å; S351-R354 PolarHBondContact OG-N 3Å; S351-R354 VanDerWaalsContact OG-N 3.12Å; V352-R354 PolarHBondContact O-N 2.9Å; R354-Q356 VanDerWaalsContact C-N 3.33Å; R354-Q356 PolarHBondContact O-N 3.33Å; R354-E357 PolarHBondContact O-N 3.37Å; R354-W358 PolarHBondContact O-N 2.99Å |
| 355 | W | 97.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 174.5 | 167.9 | 58.9 | 0 | 0 | 0 | 113 | I318 F320 V330 I349 S351 V352 R353 W358 D359 I360 K390 P391 P393 | I318-W355 HydrophobicContact CG2-CZ2 4.32Å; F320-W355 AromaticContact CE1-CE3 3.97Å; F320-W355 HydrophobicContact CE1-CE3 3.97Å; F320-W355 AromaticContact CE1-CZ3 3.97Å; F320-W355 HydrophobicContact CE1-CZ3 3.97Å; F320-W355 HydrophobicContact CZ-CE3 4.14Å; F320-W355 AromaticContact CZ-CH2 3.94Å; F320-W355 HydrophobicContact CZ-CH2 3.94Å; F320-W355 AromaticContact CZ-CZ3 3.74Å; F320-W355 HydrophobicContact CZ-CZ3 3.74Å; V330-W355 HydrophobicContact CB-CB 4.14Å; V330-W355 HydrophobicContact CG1-CB 3.96Å; V330-W355 HydrophobicContact CG1-CD2 4.27Å; V330-W355 HydrophobicContact CG1-CG 3.85Å; V330-W355 HydrophobicContact CG2-CB 4Å; I349-W355 HydrophobicContact CD1-CG 4.44Å; I349-W355 HydrophobicContact CG2-CB 3.69Å; I349-W355 HydrophobicContact CG2-CG 4.49Å; S351-W355 PolarHBondContact O-N 3.11Å; V352-W355 HydrophobicContact CG1-CE3 4.27Å; V352-W355 PolarHBondContact O-N 2.84Å; R353-W355 VanDerWaalsContact C-N 3.31Å; R353-W355 PolarHBondContact O-N 3.17Å; W355-W358 PolarHBondContact O-N 2.94Å; W355-D359 PolarHBondContact O-N 3.32Å; W355-I360 PolarHBondContact NE1-O 3.47Å; W355-K390 HydrophobicContact CH2-CB 4.23Å; W355-K390 HydrophobicContact CZ2-CB 4.09Å; W355-K390 HydrophobicContact CZ2-CD 4.16Å; W355-K390 HydrophobicContact CZ2-CG 4.3Å; W355-P391 VanDerWaalsContact CH2-O 3.26Å; W355-P391 WeakPolarHBondContact CH2-O 3.44Å; W355-P393 HydrophobicContact CZ3-CG 4.46Å |
| 356 | Q | 96.2 | Very high | 96.3 | Very high | 113 Ų | 113 | 48.2 Ų | 48.2 | 53% | 0.528 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 174.6 | -70.6 | 168.7 | -30 | 0 | 0 | 112.1 | V352 R353 R354 D359 | V352-Q356 WeakPolarHBondContact O-CG 3.47Å; V352-Q356 PolarHBondContact O-N 2.7Å; R353-Q356 WeakPolarHBondContact O-CB 3.42Å; R353-Q356 PolarHBondContact O-N 3.1Å; R354-Q356 VanDerWaalsContact C-N 3.33Å; R354-Q356 PolarHBondContact O-N 3.33Å; Q356-D359 WeakPolarHBondContact O-CA 3.47Å; Q356-D359 PolarHBondContact O-N 3.04Å; Q356-D359 VanDerWaalsContact O-N 3.08Å |
| 357 | E | 96.9 | Very high | 96.3 | Very high | 121 Ų | 121 | 43.6 Ų | 43.6 | 57% | 0.565 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.7 | -43.2 | 175.9 | -72.6 | 167.9 | 178.6 | 0 | 0 | 112 | R353 R354 D359 | R353-E357 WeakPolarHBondContact CG-OE1 3.46Å; R353-E357 IonicContact CZ-OE1 4Å; R353-E357 IonicContact NE-OE1 2.82Å; R353-E357 PolarHBondContact NE-OE1 2.89Å; R353-E357 IonicContact NH2-OE1 2.71Å; R353-E357 PolarHBondContact NH2-OE1 2.67Å; R353-E357 WeakPolarHBondContact O-CG 3.44Å; R353-E357 PolarHBondContact O-N 2.94Å; R354-E357 PolarHBondContact O-N 3.37Å; E357-D359 PolarHBondContact O-N 3.19Å |
| 358 | W | 96.6 | Very high | 96.2 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 25% | 0.25 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.2 | -19.5 | 172.6 | -82.5 | 102.8 | 0 | 0 | 0 | 113.1 | R354 W355 I360 I378 D379 V381 R384 | R354-W358 PolarHBondContact O-N 2.99Å; W355-W358 PolarHBondContact O-N 2.94Å; W358-I360 VanDerWaalsContact C-N 3.33Å; W358-I360 HydrophobicContact CB-CD1 3.68Å; W358-I360 HydrophobicContact CB-CG1 3.84Å; W358-I360 HydrophobicContact CG-CD1 4.19Å; W358-I360 PolarHBondContact O-N 2.98Å; W358-I378 HydrophobicContact CZ3-CG2 4.46Å; W358-D379 WeakPolarHBondContact CH2-O 3.37Å; W358-V381 HydrophobicContact CE3-CG2 3.87Å; W358-V381 HydrophobicContact CZ3-CG2 4.39Å; W358-R384 PolarHBondContact O-NH2 2.95Å; W358-R384 VanDerWaalsContact O-NH2 3.1Å |
| 359 | D | 96.9 | Very high | 96 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 43.8 | -179.1 | -175.6 | 56.6 | 0 | 0 | 0 | 111.4 | W355 Q356 E357 R384 R388 K390 | W355-D359 PolarHBondContact O-N 3.32Å; Q356-D359 WeakPolarHBondContact O-CA 3.47Å; Q356-D359 PolarHBondContact O-N 3.04Å; Q356-D359 VanDerWaalsContact O-N 3.08Å; E357-D359 PolarHBondContact O-N 3.19Å; D359-R384 PolarHBondContact O-NH1 3.45Å; D359-R384 IonicContact OD2-CZ 3.84Å; D359-R384 IonicContact OD2-NE 2.77Å; D359-R384 IonicContact OD2-NH1 3.75Å; D359-R384 PolarHBondContact OD2-NH1 3.27Å; D359-R384 IonicContact OD2-NH2 3.15Å; D359-R388 PolarHBondContact O-NH2 3.27Å; D359-R388 IonicContact OD1-NH1 3.78Å; D359-R388 IonicContact OD2-CZ 3.62Å; D359-R388 IonicContact OD2-NH1 3.51Å; D359-R388 PolarHBondContact OD2-NH1 2.95Å; D359-R388 IonicContact OD2-NH2 2.7Å; D359-R388 PolarHBondContact OD2-NH2 3.07Å; D359-R388 VanDerWaalsContact OD2-NH2 3.11Å; D359-K390 IonicContact OD1-NZ 2.9Å; D359-K390 PolarHBondContact OD1-NZ 3.33Å |
| 360 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -87.5 | 134.6 | -174.1 | -65.5 | 162.3 | 0 | 0 | 0 | 111.4 | V315 I318 I349 W355 W358 I366 I378 V381 | V315-I360 HydrophobicContact CB-CG2 4.46Å; V315-I360 HydrophobicContact CG1-CG2 4.16Å; V315-I360 HydrophobicContact CG2-CG2 3.86Å; I318-I360 HydrophobicContact CD1-CG2 4.04Å; I349-I360 HydrophobicContact CD1-CD1 4.47Å; I349-I360 HydrophobicContact CG1-CD1 4.49Å; W355-I360 PolarHBondContact NE1-O 3.47Å; W358-I360 VanDerWaalsContact C-N 3.33Å; W358-I360 HydrophobicContact CB-CD1 3.68Å; W358-I360 HydrophobicContact CB-CG1 3.84Å; W358-I360 HydrophobicContact CG-CD1 4.19Å; W358-I360 PolarHBondContact O-N 2.98Å; I360-I366 HydrophobicContact CD1-CG2 4.4Å; I360-I366 HydrophobicContact CG1-CG2 4.42Å; I360-I366 HydrophobicContact CG2-CG2 4.48Å; I360-I378 HydrophobicContact CD1-CD1 3.78Å; I360-V381 HydrophobicContact CD1-CG2 4.2Å; I360-V381 HydrophobicContact CG1-CG2 3.67Å | ||
| 361 | A | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -123.2 | 155 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G363 D364 R388 K390 | A361-G363 PolarHBondContact O-N 3.02Å; A361-D364 PolarHBondContact N-OD2 3.47Å; A361-D364 VanDerWaalsContact O-CB 3.27Å; A361-D364 WeakPolarHBondContact O-CB 3.46Å; A361-D364 PolarHBondContact O-N 3.36Å; A361-D364 VanDerWaalsContact O-N 3.16Å; A361-R388 HydrophobicContact CB-CB 3.88Å; A361-R388 HydrophobicContact CB-CG 4.39Å; A361-K390 HydrophobicContact CB-CG 3.8Å | ||
| 362 | P | 96.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 21% | 0.214 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 138 | 164.2 | -24.5 | 35 | 0 | 0 | 0 | 111.7 | V315 I318 D364 T389 | V315-P362 WeakPolarHBondContact O-CA 3.42Å; I318-P362 HydrophobicContact CG1-CG 4.49Å; P362-D364 VanDerWaalsContact C-N 3.35Å; P362-T389 WeakPolarHBondContact CD-O 3.37Å |
| 363 | G | 94.2 | Very high | 92.3 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -20.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V315 A361 | V315-G363 PolarHBondContact O-N 3.2Å; A361-G363 PolarHBondContact O-N 3.02Å |
| 364 | D | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -63.5 | 150.5 | 173.7 | -66.7 | -13.4 | 0 | 0 | 0 | 110.4 | V315 A361 P362 V381 W383 R384 G385 R388 | V315-D364 PolarHBondContact N-O 2.94Å; A361-D364 PolarHBondContact N-OD2 3.47Å; A361-D364 VanDerWaalsContact O-CB 3.27Å; A361-D364 WeakPolarHBondContact O-CB 3.46Å; A361-D364 PolarHBondContact O-N 3.36Å; A361-D364 VanDerWaalsContact O-N 3.16Å; P362-D364 VanDerWaalsContact C-N 3.35Å; D364-V381 HydrophobicContact CB-CG1 4.34Å; D364-W383 CarbonylContact C-O 3.56Å; D364-W383 WeakPolarHBondContact CA-O 3.36Å; D364-W383 WeakPolarHBondContact CB-O 3.33Å; D364-R384 VanDerWaalsContact OD1-CA 3.31Å; D364-R384 WeakPolarHBondContact OD1-CA 3.33Å; D364-R384 IonicContact OD2-NH1 3.54Å; D364-G385 PolarHBondContact OD1-N 2.79Å; D364-R388 IonicContact OD1-CZ 2.94Å; D364-R388 IonicContact OD1-NE 2.67Å; D364-R388 PolarHBondContact OD1-NE 3.5Å; D364-R388 IonicContact OD1-NH2 2.77Å; D364-R388 IonicContact OD2-CZ 3.08Å; D364-R388 IonicContact OD2-NE 3.87Å; D364-R388 IonicContact OD2-NH2 3.71Å; D364-R388 PolarHBondContact OD2-NH2 3.42Å | ||
| 365 | Q | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.7 | 169.3 | -48.4 | -73.3 | -47.8 | 0 | 0 | 108.9 | L65 V312 A313 V382 W383 | L65-Q365 HydrophobicContact CD2-CB 4.47Å; L65-Q365 HydrophobicContact CD2-CG 4.41Å; V312-Q365 HydrophobicContact CG1-CB 3.61Å; V312-Q365 HydrophobicContact CG1-CG 4.34Å; A313-Q365 WeakPolarHBondContact O-CA 3.49Å; Q365-V382 HydrophobicContact CB-CG2 4.09Å; Q365-V382 WeakPolarHBondContact O-CG2 3.48Å; Q365-V382 PolarHBondContact O-N 2.95Å; Q365-W383 HydrophobicContact CB-CB 3.74Å; Q365-W383 HydrophobicContact CG-CB 3.76Å; Q365-W383 HydrophobicContact CG-CG 4.23Å; Q365-W383 PolarHBondContact N-O 3.48Å; Q365-W383 PolarHBondContact O-N 3.28Å; Q365-W383 VanDerWaalsContact O-N 3.11Å |
| 366 | I | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.9 | -179.5 | 61.6 | 166.9 | 0 | 0 | 0 | 110.7 | V312 A313 V315 L334 V347 I360 V368 I378 D380 V381 | V312-I366 CarbonylContact C-O 3.55Å; V312-I366 WeakPolarHBondContact CA-O 3.4Å; A313-I366 PolarHBondContact N-O 2.82Å; A313-I366 PolarHBondContact O-N 3.27Å; V315-I366 HydrophobicContact CG2-CB 4.46Å; V315-I366 HydrophobicContact CG2-CD1 3.92Å; V315-I366 HydrophobicContact CG2-CG1 3.88Å; V315-I366 HydrophobicContact CG2-CG2 3.77Å; L334-I366 HydrophobicContact CD2-CD1 3.65Å; L334-I366 HydrophobicContact CD2-CG1 4.2Å; V347-I366 HydrophobicContact CG1-CD1 3.97Å; I360-I366 HydrophobicContact CD1-CG2 4.4Å; I360-I366 HydrophobicContact CG1-CG2 4.42Å; I360-I366 HydrophobicContact CG2-CG2 4.48Å; I366-V368 HydrophobicContact CD1-CG2 3.73Å; I366-V368 HydrophobicContact CG1-CG2 3.74Å; I366-I378 HydrophobicContact CB-CG2 4.38Å; I366-I378 HydrophobicContact CD1-CD1 4Å; I366-I378 HydrophobicContact CD1-CG1 4.05Å; I366-I378 HydrophobicContact CD1-CG2 4.42Å; I366-D380 CarbonylContact C-O 3.53Å; I366-D380 WeakPolarHBondContact CA-O 3.45Å; I366-V381 HydrophobicContact CG2-CB 4.49Å; I366-V381 HydrophobicContact CG2-CG1 4.31Å; I366-V381 HydrophobicContact CG2-CG2 4.08Å |
| 367 | L | 95.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.9 | 172.2 | -170.6 | 63.6 | 0 | 0 | 0 | 108.8 | V61 A310 V312 D379 D380 V382 | V61-L367 HydrophobicContact CG2-CD1 3.98Å; V61-L367 HydrophobicContact CG2-CD2 3.83Å; V61-L367 HydrophobicContact CG2-CG 4.46Å; A310-L367 HydrophobicContact CB-CD1 3.55Å; A310-L367 HydrophobicContact CB-CD2 4.09Å; A310-L367 HydrophobicContact CB-CG 3.65Å; V312-L367 HydrophobicContact CG2-CD1 4.06Å; L367-D379 HydrophobicContact CB-CB 4.37Å; L367-D379 HydrophobicContact CD2-CB 4.16Å; L367-D379 HydrophobicContact CG-CB 4.22Å; L367-D379 PolarHBondContact O-N 3.46Å; L367-D380 HydrophobicContact CB-CB 4.24Å; L367-D380 PolarHBondContact N-O 2.93Å; L367-V382 HydrophobicContact CB-CG1 3.85Å |
| 368 | V | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.8 | -176.1 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | A310 Q311 A313 L334 L339 I366 P376 R377 | A310-V368 CarbonylContact C-O 3.52Å; A310-V368 VanDerWaalsContact CA-O 3.23Å; A310-V368 WeakPolarHBondContact CA-O 3.22Å; Q311-V368 PolarHBondContact N-O 2.78Å; Q311-V368 PolarHBondContact O-N 2.78Å; A313-V368 HydrophobicContact CB-CG2 4.06Å; L334-V368 HydrophobicContact CD1-CG2 3.99Å; L339-V368 HydrophobicContact CD1-CB 4.18Å; L339-V368 HydrophobicContact CD1-CG1 3.75Å; L339-V368 WeakPolarHBondContact CD2-O 3.32Å; I366-V368 HydrophobicContact CD1-CG2 3.73Å; I366-V368 HydrophobicContact CG1-CG2 3.74Å; V368-P376 HydrophobicContact CG1-CB 4.24Å; V368-R377 VanDerWaalsContact CA-O 3.28Å; V368-R377 WeakPolarHBondContact CA-O 3.41Å; V368-R377 VanDerWaalsContact CG1-O 3.31Å; V368-R377 WeakPolarHBondContact CG1-O 3.44Å |
| 369 | S | 91.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 177.3 | 171.4 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | V309 P376 R377 D379 | V309-S369 WeakPolarHBondContact O-CB 3.48Å; S369-P376 CarbonylContact O-C 3.53Å; S369-P376 WeakPolarHBondContact O-CA 2.98Å; S369-R377 PolarHBondContact N-O 3.17Å; S369-R377 PolarHBondContact O-N 3.17Å; S369-R377 PolarHBondContact OG-NE 3.03Å; S369-R377 PolarHBondContact OG-NH2 3.02Å; S369-D379 WeakPolarHBondContact CB-OD2 3.46Å; S369-D379 PolarHBondContact OG-OD1 3.49Å; S369-D379 PolarHBondContact OG-OD2 3.43Å |
| 370 | L | 86.2 | Confident | 90.5 | Very high | 45 Ų | 45 | 40.1 Ų | 40.1 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.6 | 175 | -67.4 | -177.4 | 0 | 0 | 0 | 110.2 | L339 D340 K342 V344 P376 | L339-L370 HydrophobicContact CB-CD1 4.03Å; L339-L370 HydrophobicContact CB-CD2 4.35Å; L339-L370 HydrophobicContact CB-CG 3.95Å; L339-L370 HydrophobicContact CD1-CD2 4.33Å; L339-L370 HydrophobicContact CD1-CG 4.41Å; D340-L370 HydrophobicContact CB-CD1 4.45Å; K342-L370 HydrophobicContact CD-CD1 4.19Å; V344-L370 HydrophobicContact CG2-CD2 4.32Å; L370-P376 HydrophobicContact CD2-CG 4.16Å |
| 371 | A | 81 | Confident | 90.4 | Very high | 29 Ų | 29 | 40.9 Ų | 40.9 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 141.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q373 G374 I375 R377 | A371-Q373 PolarHBondContact O-N 2.94Å; A371-Q373 VanDerWaalsContact O-N 3.1Å; A371-G374 PolarHBondContact O-N 3.31Å; A371-I375 PolarHBondContact N-O 3.26Å; A371-I375 PolarHBondContact O-N 3.1Å; A371-R377 HydrophobicContact CB-CG 4.13Å |
| 372 | G | 70.8 | Confident | 90.3 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 91% | 0.907 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | -113.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G374 | G372-G374 PolarHBondContact O-N 3.08Š|
| 373 | Q | 67.9 | Low | 90.3 | Very high | 188 Ų | 188 | 40.9 Ų | 40.9 | 88% | 0.879 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 18.8 | 179.2 | -62.4 | -179.5 | -9 | 0 | 0 | 113.8 | K342 A371 | K342-Q373 PolarHBondContact NZ-O 2.76Å; A371-Q373 PolarHBondContact O-N 2.94Å; A371-Q373 VanDerWaalsContact O-N 3.1Å |
| 374 | G | 80 | Confident | 90.4 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 40.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | K342 A371 G372 | K342-G374 PolarHBondContact NZ-O 3.05Å; K342-G374 VanDerWaalsContact NZ-O 3.15Å; A371-G374 PolarHBondContact O-N 3.31Å; G372-G374 PolarHBondContact O-N 3.08Å |
| 375 | I | 86.6 | Confident | 90.2 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 60% | 0.595 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.2 | 169.1 | -61 | 174.9 | 0 | 0 | 0 | 107.9 | A371 R377 | A371-I375 PolarHBondContact N-O 3.26Å; A371-I375 PolarHBondContact O-N 3.1Å; I375-R377 PolarHBondContact O-N 2.98Å |
| 376 | P | 93.1 | Very high | 90 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 136 | 174.7 | -23.9 | 34.3 | 0 | 0 | 0 | 111.9 | V344 V347 V368 S369 L370 | V344-P376 HydrophobicContact CB-CG 4.46Å; V344-P376 HydrophobicContact CG1-CB 3.81Å; V344-P376 HydrophobicContact CG1-CG 3.68Å; V344-P376 HydrophobicContact CG2-CG 3.89Å; V347-P376 HydrophobicContact CB-CB 4.28Å; V347-P376 HydrophobicContact CG2-CB 4.04Å; V368-P376 HydrophobicContact CG1-CB 4.24Å; S369-P376 CarbonylContact O-C 3.53Å; S369-P376 WeakPolarHBondContact O-CA 2.98Å; L370-P376 HydrophobicContact CD2-CG 4.16Å |
| 377 | R | 93.8 | Very high | 89.7 | Confident | 122 Ų | 122 | 50.7 Ų | 50.7 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154 | 172.6 | 67.2 | 163 | -174.6 | -139.9 | -3.4 | 111.2 | V368 S369 A371 I375 D379 | V368-R377 VanDerWaalsContact CA-O 3.28Å; V368-R377 WeakPolarHBondContact CA-O 3.41Å; V368-R377 VanDerWaalsContact CG1-O 3.31Å; V368-R377 WeakPolarHBondContact CG1-O 3.44Å; S369-R377 PolarHBondContact N-O 3.17Å; S369-R377 PolarHBondContact O-N 3.17Å; S369-R377 PolarHBondContact OG-NE 3.03Å; S369-R377 PolarHBondContact OG-NH2 3.02Å; A371-R377 HydrophobicContact CB-CG 4.13Å; I375-R377 PolarHBondContact O-N 2.98Å; R377-D379 WeakPolarHBondContact CD-OD1 2.99Å; R377-D379 IonicContact CZ-OD1 3.19Å; R377-D379 IonicContact NE-OD1 2.58Å; R377-D379 PolarHBondContact NE-OD1 2.03Å; R377-D379 IonicContact NH2-OD1 3.71Å |
| 378 | I | 95.5 | Very high | 89.6 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124.8 | 172.4 | -51.6 | -178.7 | 0 | 0 | 0 | 107.9 | V347 I349 W358 I360 I366 | V347-I378 HydrophobicContact CB-CG1 4.4Å; V347-I378 HydrophobicContact CG1-CD1 3.92Å; V347-I378 HydrophobicContact CG1-CG1 3.81Å; V347-I378 HydrophobicContact CG2-CD1 4.43Å; V347-I378 HydrophobicContact CG2-CG1 3.66Å; I349-I378 HydrophobicContact CB-CD1 4.44Å; I349-I378 HydrophobicContact CG1-CD1 3.56Å; W358-I378 HydrophobicContact CZ3-CG2 4.46Å; I360-I378 HydrophobicContact CD1-CD1 3.78Å; I366-I378 HydrophobicContact CB-CG2 4.38Å; I366-I378 HydrophobicContact CD1-CD1 4Å; I366-I378 HydrophobicContact CD1-CG1 4.05Å; I366-I378 HydrophobicContact CD1-CG2 4.42Å |
| 379 | D | 93.1 | Very high | 89.5 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -40 | 176.5 | -63.7 | -34.4 | 0 | 0 | 0 | 111.4 | W358 L367 S369 R377 | W358-D379 WeakPolarHBondContact CH2-O 3.37Å; L367-D379 HydrophobicContact CB-CB 4.37Å; L367-D379 HydrophobicContact CD2-CB 4.16Å; L367-D379 HydrophobicContact CG-CB 4.22Å; L367-D379 PolarHBondContact O-N 3.46Å; S369-D379 WeakPolarHBondContact CB-OD2 3.46Å; S369-D379 PolarHBondContact OG-OD1 3.49Å; S369-D379 PolarHBondContact OG-OD2 3.43Å; R377-D379 WeakPolarHBondContact CD-OD1 2.99Å; R377-D379 IonicContact CZ-OD1 3.19Å; R377-D379 IonicContact NE-OD1 2.58Å; R377-D379 PolarHBondContact NE-OD1 2.03Å; R377-D379 IonicContact NH2-OD1 3.71Å |
| 380 | D | 95 | Very high | 89.7 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 165.7 | 179.9 | -156.6 | 3.9 | 0 | 0 | 0 | 113.3 | I366 L367 V382 | I366-D380 CarbonylContact C-O 3.53Å; I366-D380 WeakPolarHBondContact CA-O 3.45Å; L367-D380 HydrophobicContact CB-CB 4.24Å; L367-D380 PolarHBondContact N-O 2.93Å; D380-V382 HydrophobicContact CB-CG1 4.22Å |
| 381 | V | 96.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 97.4 | 166.4 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | W358 I360 D364 I366 R384 | W358-V381 HydrophobicContact CE3-CG2 3.87Å; W358-V381 HydrophobicContact CZ3-CG2 4.39Å; I360-V381 HydrophobicContact CD1-CG2 4.2Å; I360-V381 HydrophobicContact CG1-CG2 3.67Å; D364-V381 HydrophobicContact CB-CG1 4.34Å; I366-V381 HydrophobicContact CG2-CB 4.49Å; I366-V381 HydrophobicContact CG2-CG1 4.31Å; I366-V381 HydrophobicContact CG2-CG2 4.08Å; V381-R384 HydrophobicContact CG1-CG 4.07Å |
| 382 | V | 95.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 67.1 Ų | 67.1 | 11% | 0.109 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -18.2 | -169.7 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | V61 L65 V312 Q365 L367 D380 | V61-V382 HydrophobicContact CG1-CB 3.68Å; V61-V382 HydrophobicContact CG1-CG1 3.62Å; V61-V382 HydrophobicContact CG1-CG2 4.22Å; V61-V382 HydrophobicContact CG2-CG1 4.01Å; L65-V382 HydrophobicContact CD1-CB 4.3Å; L65-V382 HydrophobicContact CD1-CG2 4.31Å; L65-V382 HydrophobicContact CD2-CG2 4.35Å; V312-V382 HydrophobicContact CG1-CG2 3.81Å; V312-V382 HydrophobicContact CG2-CG2 3.98Å; Q365-V382 HydrophobicContact CB-CG2 4.09Å; Q365-V382 WeakPolarHBondContact O-CG2 3.48Å; Q365-V382 PolarHBondContact O-N 2.95Å; L367-V382 HydrophobicContact CB-CG1 3.85Å; D380-V382 HydrophobicContact CB-CG1 4.22Å |
| 383 | W | 96.1 | Very high | 91.8 | Very high | 14 Ų | 14 | 64.7 Ų | 64.7 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 133.6 | 173.2 | -176.2 | -109.4 | 0 | 0 | 0 | 110.9 | E34 R37 L38 Q41 L65 W72 D364 Q365 | E34-W383 PolarHBondContact OE2-NE1 2.7Å; R37-W383 VanDerWaalsContact C-CH2 3.47Å; R37-W383 HydrophobicContact CB-CH2 3.7Å; R37-W383 HydrophobicContact CB-CZ2 3.89Å; L38-W383 VanDerWaalsContact CA-CH2 3.47Å; L38-W383 HydrophobicContact CB-CH2 3.91Å; L38-W383 HydrophobicContact CB-CZ2 3.87Å; L38-W383 HydrophobicContact CB-CZ3 4.4Å; L38-W383 HydrophobicContact CD1-CD2 4.13Å; L38-W383 HydrophobicContact CD1-CE3 3.82Å; L38-W383 HydrophobicContact CD1-CH2 4.28Å; L38-W383 HydrophobicContact CD1-CZ3 3.91Å; L38-W383 VanDerWaalsContact N-CH2 3.35Å; Q41-W383 HydrophobicContact CB-CZ3 3.91Å; Q41-W383 HydrophobicContact CG-CZ3 4.15Å; L65-W383 HydrophobicContact CD2-CB 4.21Å; W72-W383 AromaticContact CH2-NE1 3.84Å; D364-W383 CarbonylContact C-O 3.56Å; D364-W383 WeakPolarHBondContact CA-O 3.36Å; D364-W383 WeakPolarHBondContact CB-O 3.33Å; Q365-W383 HydrophobicContact CB-CB 3.74Å; Q365-W383 HydrophobicContact CG-CB 3.76Å; Q365-W383 HydrophobicContact CG-CG 4.23Å; Q365-W383 PolarHBondContact N-O 3.48Å; Q365-W383 PolarHBondContact O-N 3.28Å; Q365-W383 VanDerWaalsContact O-N 3.11Å |
| 384 | R | 96.2 | Very high | 92.9 | Very high | 83 Ų | 83 | 58 Ų | 58 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | trans | -106.6 | 118.6 | 174.3 | -62.4 | -172.5 | 179.1 | -73.1 | 6 | 109.5 | R37 W358 D359 D364 V381 | R37-R384 PolarHBondContact NH2-O 3.1Å; W358-R384 PolarHBondContact O-NH2 2.95Å; W358-R384 VanDerWaalsContact O-NH2 3.1Å; D359-R384 PolarHBondContact O-NH1 3.45Å; D359-R384 IonicContact OD2-CZ 3.84Å; D359-R384 IonicContact OD2-NE 2.77Å; D359-R384 IonicContact OD2-NH1 3.75Å; D359-R384 PolarHBondContact OD2-NH1 3.27Å; D359-R384 IonicContact OD2-NH2 3.15Å; D364-R384 VanDerWaalsContact OD1-CA 3.31Å; D364-R384 WeakPolarHBondContact OD1-CA 3.33Å; D364-R384 IonicContact OD2-NH1 3.54Å; V381-R384 HydrophobicContact CG1-CG 4.07Å | ||
| 385 | G | 92.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | trans | -59.6 | 159.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E34 D364 R388 | E34-G385 WeakPolarHBondContact OE1-CA 3.44Å; D364-G385 PolarHBondContact OD1-N 2.79Å; G385-R388 WeakPolarHBondContact O-CD 3.22Å; G385-R388 WeakPolarHBondContact O-CG 3.41Å | ||
| 386 | A | 92.1 | Very high | 93.1 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -66.9 | -47.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E33 E34 R37 | E33-A386 HydrophobicContact CG-CB 4.11Å; E33-A386 WeakPolarHBondContact OE1-CB 3.3Å; E34-A386 HydrophobicContact CG-CB 4.28Å; E34-A386 PolarHBondContact OE1-N 3.42Å; R37-A386 VanDerWaalsContact NH1-CA 3.26Å |
| 387 | E | 90.7 | Very high | 92.7 | Very high | 102 Ų | 102 | 69.9 Ų | 69.9 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | trans | -98 | 105.6 | -179.4 | -169 | -177.1 | 177.9 | 0 | 0 | 110.3 | R30 | R30-E387 WeakPolarHBondContact CD-OE2 3.24Å; R30-E387 IonicContact CZ-OE2 2.8Å; R30-E387 IonicContact NE-OE2 3.58Å; R30-E387 IonicContact NH1-OE2 3.34Å; R30-E387 PolarHBondContact NH1-OE2 2.93Å | ||
| 388 | R | 93.4 | Very high | 92.2 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | trans | -116 | 65.2 | -170.6 | -55.7 | -174.5 | 75.3 | -139.8 | -4.9 | 112.6 | D359 A361 D364 G385 K390 | D359-R388 PolarHBondContact O-NH2 3.27Å; D359-R388 IonicContact OD1-NH1 3.78Å; D359-R388 IonicContact OD2-CZ 3.62Å; D359-R388 IonicContact OD2-NH1 3.51Å; D359-R388 PolarHBondContact OD2-NH1 2.95Å; D359-R388 IonicContact OD2-NH2 2.7Å; D359-R388 PolarHBondContact OD2-NH2 3.07Å; D359-R388 VanDerWaalsContact OD2-NH2 3.11Å; A361-R388 HydrophobicContact CB-CB 3.88Å; A361-R388 HydrophobicContact CB-CG 4.39Å; D364-R388 IonicContact OD1-CZ 2.94Å; D364-R388 IonicContact OD1-NE 2.67Å; D364-R388 PolarHBondContact OD1-NE 3.5Å; D364-R388 IonicContact OD1-NH2 2.77Å; D364-R388 IonicContact OD2-CZ 3.08Å; D364-R388 IonicContact OD2-NE 3.87Å; D364-R388 IonicContact OD2-NH2 3.71Å; D364-R388 PolarHBondContact OD2-NH2 3.42Å; G385-R388 WeakPolarHBondContact O-CD 3.22Å; G385-R388 WeakPolarHBondContact O-CG 3.41Å; R388-K390 PolarHBondContact O-N 3.29Å | ||
| 389 | T | 92.5 | Very high | 91.7 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 63% | 0.632 | 35% | 0.346 | S | S | * | . | trans | -79.1 | 108 | 174.3 | -53 | 0 | 0 | 0 | 0 | 110.1 | P362 | P362-T389 WeakPolarHBondContact CD-O 3.37Š| ||
| 390 | K | 95.3 | Very high | 91.1 | Very high | 81 Ų | 81 | 69.1 Ų | 69.1 | 35% | 0.352 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 138.4 | 178 | -65.6 | -179.3 | -169.1 | 163.7 | 0 | 111.1 | W355 D359 A361 R388 | W355-K390 HydrophobicContact CH2-CB 4.23Å; W355-K390 HydrophobicContact CZ2-CB 4.09Å; W355-K390 HydrophobicContact CZ2-CD 4.16Å; W355-K390 HydrophobicContact CZ2-CG 4.3Å; D359-K390 IonicContact OD1-NZ 2.9Å; D359-K390 PolarHBondContact OD1-NZ 3.33Å; A361-K390 HydrophobicContact CB-CG 3.8Å; R388-K390 PolarHBondContact O-N 3.29Å |
| 391 | P | 95.3 | Very high | 90.7 | Very high | 46 Ų | 46 | 71.8 Ų | 71.8 | 30% | 0.299 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 149.8 | 173.1 | 30.6 | -32.8 | 0 | 0 | 0 | 111 | I318 F320 W355 | I318-P391 HydrophobicContact CB-CG 3.74Å; I318-P391 HydrophobicContact CG2-CG 4.16Å; F320-P391 HydrophobicContact CE2-CB 4.01Å; F320-P391 HydrophobicContact CE2-CG 3.85Å; F320-P391 HydrophobicContact CZ-CG 4.22Å; W355-P391 VanDerWaalsContact CH2-O 3.26Å; W355-P391 WeakPolarHBondContact CH2-O 3.44Å |
| 392 | T | 94.4 | Very high | 90.3 | Very high | 129 Ų | 129 | 73 Ų | 73 | 79% | 0.791 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 127.5 | 175.5 | -52.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 393 | P | 93 | Very high | 90 | Very high | 38 Ų | 38 | 72.8 Ų | 72.8 | 25% | 0.247 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 145.5 | 173.5 | 26.1 | -32.4 | 0 | 0 | 0 | 110.2 | F320 V352 W355 | F320-P393 HydrophobicContact CD1-CB 4.04Å; F320-P393 HydrophobicContact CE1-CB 3.66Å; F320-P393 HydrophobicContact CE2-CB 4.45Å; F320-P393 HydrophobicContact CZ-CB 3.89Å; V352-P393 HydrophobicContact CG1-CB 3.88Å; V352-P393 HydrophobicContact CG1-CG 3.92Å; V352-P393 HydrophobicContact CG2-CB 4.13Å; W355-P393 HydrophobicContact CZ3-CG 4.46Å |
| 394 | P | 90.4 | Very high | 89.6 | Confident | 48 Ų | 48 | 77.4 Ų | 77.4 | 31% | 0.312 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 152.1 | 175.9 | 26.8 | -33 | 0 | 0 | 0 | 110.6 | F320 I328 | F320-P394 VanDerWaalsContact CB-CD 3.47Å; F320-P394 HydrophobicContact CB-CG 3.89Å; F320-P394 VanDerWaalsContact CG-CD 3.45Å; F320-P394 HydrophobicContact CG-CG 4.4Å; I328-P394 HydrophobicContact CD1-CG 4.01Å; I328-P394 VanDerWaalsContact CD1-O 3.23Å; I328-P394 WeakPolarHBondContact CD1-O 3.06Å; I328-P394 HydrophobicContact CG1-CG 4.36Å; I328-P394 HydrophobicContact CG2-CG 4.24Å |
| 395 | E | 86.8 | Confident | 89.2 | Confident | 154 Ų | 154 | 81.7 Ų | 81.7 | 72% | 0.72 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 140.6 | 174 | -69.1 | -175.3 | 174.8 | 0 | 0 | 111.3 | R397 | E395-R397 HydrophobicContact CB-CG 4.02Å; E395-R397 PolarHBondContact O-N 3Å |
| 396 | N | 84.2 | Confident | 89 | Confident | 109 Ų | 109 | 85.4 Ų | 85.4 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | trans | -77.4 | 67.5 | -180 | -169.4 | 21.8 | 0 | 0 | 0 | 111.7 | I328 F398 | I328-N396 HydrophobicContact CD1-CB 4.41Å; N396-F398 VanDerWaalsContact C-N 3.28Å; N396-F398 PolarHBondContact O-N 3.46Å; N396-F398 PolarHBondContact OD1-O 3Å | ||
| 397 | R | 84.4 | Confident | 88.9 | Confident | 152 Ų | 152 | 86.7 Ų | 86.7 | 57% | 0.574 | 46% | 0.457 | S | S | * | . | trans | -75.8 | -15.3 | -177.3 | -65.7 | -176.1 | -77.3 | 166.1 | -4.9 | 113.7 | E395 T402 | E395-R397 HydrophobicContact CB-CG 4.02Å; E395-R397 PolarHBondContact O-N 3Å; R397-T402 PolarHBondContact O-OG1 3.38Å | ||
| 398 | F | 84.3 | Confident | 88.7 | Confident | 24 Ų | 24 | 89.2 Ų | 89.2 | 11% | 0.105 | 47% | 0.474 | C | S | . | . | trans | -117.7 | 115.8 | -170.7 | -51.7 | -62.9 | 0 | 0 | 0 | 111 | V322 G326 N396 T402 C403 V409 Q413 | V322-F398 HydrophobicContact CB-CD2 4.42Å; V322-F398 HydrophobicContact CG1-CB 4.34Å; V322-F398 HydrophobicContact CG1-CD2 3.48Å; V322-F398 VanDerWaalsContact CG1-CD2 3.48Å; V322-F398 HydrophobicContact CG1-CE2 4.13Å; V322-F398 HydrophobicContact CG1-CG 4.26Å; V322-F398 HydrophobicContact CG2-CD2 4.28Å; V322-F398 HydrophobicContact CG2-CE2 4.39Å; G326-F398 CarbonylContact C-O 3.59Å; G326-F398 WeakPolarHBondContact CA-O 3.46Å; N396-F398 VanDerWaalsContact C-N 3.28Å; N396-F398 PolarHBondContact O-N 3.46Å; N396-F398 PolarHBondContact OD1-O 3Å; F398-T402 WeakPolarHBondContact CA-OG1 3.43Å; F398-C403 WeakPolarHBondContact CD1-SG 3.37Å; F398-V409 HydrophobicContact CE1-CG1 3.97Å; F398-V409 HydrophobicContact CZ-CG1 3.64Å; F398-Q413 HydrophobicContact CB-CG 4.36Å | ||
| 399 | N | 83.5 | Confident | 88.4 | Confident | 65 Ų | 65 | 90.2 Ų | 90.2 | 35% | 0.348 | 49% | 0.488 | S | S | . | . | trans | -139.6 | -173.6 | -179.6 | 64 | 53.2 | 0 | 0 | 0 | 110.9 | L401 T402 R417 | N399-L401 PolarHBondContact O-N 3.04Å; N399-L401 VanDerWaalsContact O-N 3.17Å; N399-L401 WeakPolarHBondContact OD1-CA 2.99Å; N399-L401 WeakPolarHBondContact OD1-CB 3.37Å; N399-L401 PolarHBondContact OD1-N 3.29Å; N399-T402 PolarHBondContact N-OG1 3.19Å; N399-T402 PolarHBondContact O-N 3Å; N399-T402 PolarHBondContact OD1-N 3.47Å; N399-R417 PolarHBondContact O-NH2 2.97Å | ||
| 400 | S | 81.9 | Confident | 88.1 | Confident | 83 Ų | 83 | 86.1 Ų | 86.1 | 58% | 0.58 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.8 | -179.6 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | Y404 | S400-Y404 PolarHBondContact O-OH 2.8Š|
| 401 | L | 85.2 | Confident | 87.8 | Confident | 139 Ų | 139 | 86.4 Ų | 86.4 | 73% | 0.728 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 7.1 | -178.3 | -55.6 | 179.4 | 0 | 0 | 0 | 113.1 | N399 | N399-L401 PolarHBondContact O-N 3.04Å; N399-L401 VanDerWaalsContact O-N 3.17Å; N399-L401 WeakPolarHBondContact OD1-CA 2.99Å; N399-L401 WeakPolarHBondContact OD1-CB 3.37Å; N399-L401 PolarHBondContact OD1-N 3.29Å |
| 402 | T | 88.3 | Confident | 87.4 | Confident | 43 Ų | 43 | 88.6 Ų | 88.6 | 26% | 0.264 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -121.9 | 170 | 178.8 | 65.6 | 0 | 0 | 0 | 0 | 112.7 | R397 F398 N399 | R397-T402 PolarHBondContact O-OG1 3.38Å; F398-T402 WeakPolarHBondContact CA-OG1 3.43Å; N399-T402 PolarHBondContact N-OG1 3.19Å; N399-T402 PolarHBondContact O-N 3Å; N399-T402 PolarHBondContact OD1-N 3.47Å |
| 403 | C | 88.6 | Confident | 87.2 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 8% | 0.081 | 44% | 0.436 | C | S | . | . | trans | 62.1 | 43.8 | 179.8 | -62.7 | 0 | 0 | 0 | 0 | 115.4 | F398 C410 Q413 F414 | F398-C403 WeakPolarHBondContact CD1-SG 3.37Å; C403-C410 WeakPolarHBondContact CA-SG 3.16Å; C403-C410 HydrophobicContact CB-CB 3.45Å; C403-C410 VanDerWaalsContact CB-CB 3.45Å; C403-C410 WeakPolarHBondContact CB-SG 3.34Å; C403-C410 WeakPolarHBondContact SG-CB 3.34Å; C403-C410 CovalentContact SG-SG 2.04Å; C403-C410 PolarHBondContact SG-SG 3.5Å; C403-Q413 HydrophobicContact CB-CB 3.76Å; C403-F414 WeakPolarHBondContact O-CA 3.26Å; C403-F414 WeakPolarHBondContact O-CD2 3.31Å | ||
| 404 | Y | 88.1 | Confident | 87.1 | Confident | 112 Ų | 112 | 83 Ų | 83 | 44% | 0.439 | 43% | 0.434 | S | S | . | . | trans | -89.1 | 0.7 | 172.4 | -72 | -77.2 | 0 | 0 | 0 | 114.4 | S400 F414 R417 | S400-Y404 PolarHBondContact O-OH 2.8Å; Y404-F414 VanDerWaalsContact O-CE2 3.32Å; Y404-F414 WeakPolarHBondContact O-CE2 3.06Å; Y404-R417 HydrophobicContact CD1-CB 4.45Å; Y404-R417 HydrophobicContact CE1-CB 4.32Å; Y404-R417 HydrophobicContact CE1-CG 4.23Å | ||
| 405 | F | 88.5 | Confident | 87 | Confident | 173 Ų | 173 | 81.9 Ų | 81.9 | 76% | 0.759 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -124.5 | 144.4 | 175.4 | -60 | -81.7 | 0 | 0 | 0 | 109.1 | S407 | F405-S407 PolarHBondContact O-N 2.87Š|
| 406 | A | 87.6 | Confident | 87.1 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 65% | 0.645 | 40% | 0.398 | S | S | * | . | trans | -62.3 | 123.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F414 | A406-F414 HydrophobicContact CB-CD1 3.99Å; A406-F414 HydrophobicContact CB-CE1 3.67Å; A406-F414 HydrophobicContact CB-CZ 4.11Å | ||
| 407 | S | 89.4 | Confident | 87.3 | Confident | 55 Ų | 55 | 72 Ų | 72 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | trans | -154.8 | 154.5 | 168.5 | 72.3 | 0 | 0 | 0 | 0 | 109.1 | F405 V409 C410 Q411 | F405-S407 PolarHBondContact O-N 2.87Å; S407-V409 PolarHBondContact O-N 2.04Å; S407-C410 CarbonylContact O-C 3.51Å; S407-C410 PolarHBondContact O-N 3.16Å; S407-C410 WeakPolarHBondContact OG-CB 3.27Å; S407-C410 PolarHBondContact OG-N 2.98Å; S407-Q411 PolarHBondContact O-N 3.48Å | ||
| 408 | D | 86.8 | Confident | 87.5 | Confident | 156 Ų | 156 | 67 Ų | 67 | 83% | 0.834 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -56.6 | -36.9 | -178.9 | -59.5 | -16.9 | 0 | 0 | 0 | 111.9 | C410 | D408-C410 VanDerWaalsContact C-N 3.33Å; D408-C410 PolarHBondContact O-N 2.97Å |
| 409 | V | 87 | Confident | 87.6 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 58% | 0.576 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -72.5 | -26.6 | -179.4 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | F398 S407 | F398-V409 HydrophobicContact CE1-CG1 3.97Å; F398-V409 HydrophobicContact CZ-CG1 3.64Å; S407-V409 PolarHBondContact O-N 2.04Å |
| 410 | C | 87.5 | Confident | 87.8 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -107.4 | 3.5 | -174.9 | -85.2 | 0 | 0 | 0 | 0 | 113.9 | C403 S407 D408 E412 Q413 F414 | C403-C410 WeakPolarHBondContact CA-SG 3.16Å; C403-C410 HydrophobicContact CB-CB 3.45Å; C403-C410 VanDerWaalsContact CB-CB 3.45Å; C403-C410 WeakPolarHBondContact CB-SG 3.34Å; C403-C410 WeakPolarHBondContact SG-CB 3.34Å; C403-C410 CovalentContact SG-SG 2.04Å; C403-C410 PolarHBondContact SG-SG 3.5Å; S407-C410 CarbonylContact O-C 3.51Å; S407-C410 PolarHBondContact O-N 3.16Å; S407-C410 WeakPolarHBondContact OG-CB 3.27Å; S407-C410 PolarHBondContact OG-N 2.98Å; D408-C410 VanDerWaalsContact C-N 3.33Å; D408-C410 PolarHBondContact O-N 2.97Å; C410-E412 PolarHBondContact O-N 3.44Å; C410-Q413 PolarHBondContact O-N 2.92Å; C410-F414 WeakPolarHBondContact O-CB 3.22Å; C410-F414 PolarHBondContact O-N 2.83Å |
| 411 | Q | 88.6 | Confident | 88.1 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 41% | 0.407 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53 | -49.9 | -163.3 | -169.4 | -179.3 | 7 | 0 | 0 | 113.6 | S407 Q413 F414 I415 | S407-Q411 PolarHBondContact O-N 3.48Å; Q411-Q413 PolarHBondContact O-N 3Å; Q411-F414 PolarHBondContact O-N 3.48Å; Q411-I415 HydrophobicContact CG-CD1 4.16Å; Q411-I415 VanDerWaalsContact O-CG1 3.32Å; Q411-I415 WeakPolarHBondContact O-CG1 3.4Å; Q411-I415 PolarHBondContact O-N 2.8Å |
| 412 | E | 87.1 | Confident | 88.3 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 179.9 | -66.6 | -162.5 | 165.3 | 0 | 0 | 112.9 | C410 S416 | C410-E412 PolarHBondContact O-N 3.44Å; E412-S416 VanDerWaalsContact O-CB 3.28Å; E412-S416 WeakPolarHBondContact O-CB 3.35Å; E412-S416 PolarHBondContact O-N 3.34Å; E412-S416 VanDerWaalsContact O-N 3.14Å |
| 413 | Q | 90.7 | Very high | 88.3 | Confident | 9 Ų | 9 | 64 Ų | 64 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.1 | -41.2 | -179.9 | -65.4 | 73.2 | 29.4 | 0 | 0 | 110.6 | G323 F398 C403 C410 Q411 S416 R417 | G323-Q413 PolarHBondContact O-NE2 3.47Å; F398-Q413 HydrophobicContact CB-CG 4.36Å; C403-Q413 HydrophobicContact CB-CB 3.76Å; C410-Q413 PolarHBondContact O-N 2.92Å; Q411-Q413 PolarHBondContact O-N 3Å; Q413-S416 CarbonylContact O-C 3.51Å; Q413-S416 WeakPolarHBondContact O-CB 3.3Å; Q413-S416 PolarHBondContact O-N 2.8Å; Q413-R417 WeakPolarHBondContact O-CG 3.23Å; Q413-R417 PolarHBondContact O-N 2.92Å |
| 414 | F | 90.8 | Very high | 88.3 | Confident | 42 Ų | 42 | 72 Ų | 72 | 18% | 0.184 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 177.2 | 175.8 | -111 | 0 | 0 | 0 | 111.5 | C403 Y404 A406 C410 Q411 S416 R417 L418 | C403-F414 WeakPolarHBondContact O-CA 3.26Å; C403-F414 WeakPolarHBondContact O-CD2 3.31Å; Y404-F414 VanDerWaalsContact O-CE2 3.32Å; Y404-F414 WeakPolarHBondContact O-CE2 3.06Å; A406-F414 HydrophobicContact CB-CD1 3.99Å; A406-F414 HydrophobicContact CB-CE1 3.67Å; A406-F414 HydrophobicContact CB-CZ 4.11Å; C410-F414 WeakPolarHBondContact O-CB 3.22Å; C410-F414 PolarHBondContact O-N 2.83Å; Q411-F414 PolarHBondContact O-N 3.48Å; F414-S416 VanDerWaalsContact C-N 3.27Å; F414-S416 PolarHBondContact O-N 3.11Å; F414-R417 PolarHBondContact O-N 3.3Å; F414-R417 VanDerWaalsContact O-N 3.08Å; F414-L418 HydrophobicContact CD1-CD1 3.97Å; F414-L418 HydrophobicContact CE1-CD1 3.37Å; F414-L418 HydrophobicContact CE1-CG 4.1Å; F414-L418 HydrophobicContact CE2-CD1 4.23Å; F414-L418 HydrophobicContact CE2-CD2 4.24Å; F414-L418 HydrophobicContact CE2-CG 4.09Å; F414-L418 HydrophobicContact CZ-CD1 3.54Å; F414-L418 HydrophobicContact CZ-CD2 4.07Å; F414-L418 HydrophobicContact CZ-CG 3.88Å; F414-L418 PolarHBondContact O-N 3.49Å |
| 415 | I | 88.3 | Confident | 88.3 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 174.4 | -68.9 | 169.3 | 0 | 0 | 0 | 110.4 | Q411 R417 L418 V419 H437 | Q411-I415 HydrophobicContact CG-CD1 4.16Å; Q411-I415 VanDerWaalsContact O-CG1 3.32Å; Q411-I415 WeakPolarHBondContact O-CG1 3.4Å; Q411-I415 PolarHBondContact O-N 2.8Å; I415-R417 VanDerWaalsContact C-N 3.34Å; I415-R417 PolarHBondContact O-N 2.83Å; I415-L418 PolarHBondContact O-N 2.71Å; I415-V419 HydrophobicContact CG2-CG2 4.33Å; I415-V419 WeakPolarHBondContact O-CG2 3.47Å; I415-V419 PolarHBondContact O-N 2.59Å; I415-H437 HydrophobicContact CD1-CB 4.07Å; I415-H437 HydrophobicContact CG1-CB 4.14Å; I415-H437 HydrophobicContact CG2-CB 4.1Å |
| 416 | S | 88.4 | Confident | 88.3 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 176.6 | 167.8 | 0 | 0 | 0 | 0 | 113.1 | K324 E412 Q413 F414 W420 | K324-S416 VanDerWaalsContact O-CB 3.26Å; K324-S416 WeakPolarHBondContact O-CB 3.45Å; K324-S416 PolarHBondContact O-OG 3.19Å; E412-S416 VanDerWaalsContact O-CB 3.28Å; E412-S416 WeakPolarHBondContact O-CB 3.35Å; E412-S416 PolarHBondContact O-N 3.34Å; E412-S416 VanDerWaalsContact O-N 3.14Å; Q413-S416 CarbonylContact O-C 3.51Å; Q413-S416 WeakPolarHBondContact O-CB 3.3Å; Q413-S416 PolarHBondContact O-N 2.8Å; F414-S416 VanDerWaalsContact C-N 3.27Å; F414-S416 PolarHBondContact O-N 3.11Å; S416-W420 WeakPolarHBondContact O-CB 3.34Å; S416-W420 PolarHBondContact O-N 2.91Å; S416-W420 VanDerWaalsContact O-N 3.11Å |
| 417 | R | 87.9 | Confident | 88.5 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 173.5 | -63.2 | -58 | 172.6 | -107.8 | -2.1 | 111.9 | S325 N399 Y404 Q413 F414 I415 W420 L421 | S325-R417 PolarHBondContact O-NH2 3.29Å; N399-R417 PolarHBondContact O-NH2 2.97Å; Y404-R417 HydrophobicContact CD1-CB 4.45Å; Y404-R417 HydrophobicContact CE1-CB 4.32Å; Y404-R417 HydrophobicContact CE1-CG 4.23Å; Q413-R417 WeakPolarHBondContact O-CG 3.23Å; Q413-R417 PolarHBondContact O-N 2.92Å; F414-R417 PolarHBondContact O-N 3.3Å; F414-R417 VanDerWaalsContact O-N 3.08Å; I415-R417 VanDerWaalsContact C-N 3.34Å; I415-R417 PolarHBondContact O-N 2.83Å; R417-W420 PolarHBondContact O-N 2.53Å; R417-L421 WeakPolarHBondContact O-CB 3.33Å; R417-L421 PolarHBondContact O-N 2.97Å |
| 418 | L | 88.5 | Confident | 88.4 | Confident | 48 Ų | 48 | 69.6 Ų | 69.6 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 176.3 | -74.7 | 178.4 | 0 | 0 | 0 | 111.8 | F414 I415 W420 L421 G422 I432 | F414-L418 HydrophobicContact CD1-CD1 3.97Å; F414-L418 HydrophobicContact CE1-CD1 3.37Å; F414-L418 HydrophobicContact CE1-CG 4.1Å; F414-L418 HydrophobicContact CE2-CD1 4.23Å; F414-L418 HydrophobicContact CE2-CD2 4.24Å; F414-L418 HydrophobicContact CE2-CG 4.09Å; F414-L418 HydrophobicContact CZ-CD1 3.54Å; F414-L418 HydrophobicContact CZ-CD2 4.07Å; F414-L418 HydrophobicContact CZ-CG 3.88Å; F414-L418 PolarHBondContact O-N 3.49Å; I415-L418 PolarHBondContact O-N 2.71Å; L418-W420 VanDerWaalsContact C-N 3.3Å; L418-W420 PolarHBondContact O-N 2.75Å; L418-L421 PolarHBondContact O-N 3.32Å; L418-L421 VanDerWaalsContact O-N 3.16Å; L418-G422 PolarHBondContact O-N 2.76Å; L418-I432 HydrophobicContact CB-CG2 4.47Å |
| 419 | V | 87.6 | Confident | 88.2 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 22% | 0.218 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | I415 G422 S423 E434 | I415-V419 HydrophobicContact CG2-CG2 4.33Å; I415-V419 WeakPolarHBondContact O-CG2 3.47Å; I415-V419 PolarHBondContact O-N 2.59Å; V419-G422 PolarHBondContact O-N 2.77Å; V419-S423 PolarHBondContact O-N 2.94Å; V419-E434 HydrophobicContact CG2-CG 3.96Å |
| 420 | W | 87.9 | Confident | 87.8 | Confident | 150 Ų | 150 | 68.8 Ų | 68.8 | 57% | 0.568 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 175 | 175.1 | 77.8 | 0 | 0 | 0 | 112.4 | S416 R417 L418 G422 S423 V426 | S416-W420 WeakPolarHBondContact O-CB 3.34Å; S416-W420 PolarHBondContact O-N 2.91Å; S416-W420 VanDerWaalsContact O-N 3.11Å; R417-W420 PolarHBondContact O-N 2.53Å; L418-W420 VanDerWaalsContact C-N 3.3Å; L418-W420 PolarHBondContact O-N 2.75Å; W420-G422 PolarHBondContact O-N 3.48Å; W420-S423 VanDerWaalsContact O-CB 3.27Å; W420-S423 WeakPolarHBondContact O-CB 3.5Å; W420-S423 PolarHBondContact O-N 3.45Å; W420-S423 PolarHBondContact O-OG 3.49Å; W420-V426 HydrophobicContact CD2-CG2 4.28Å; W420-V426 HydrophobicContact CH2-CG1 4.41Å; W420-V426 HydrophobicContact CH2-CG2 4.28Å; W420-V426 HydrophobicContact CZ2-CG2 3.84Å; W420-V426 HydrophobicContact CZ3-CG1 4.49Å; W420-V426 WeakPolarHBondContact O-CG2 3.35Å |
| 421 | L | 88 | Confident | 87.2 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 38% | 0.377 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 178.8 | -172.2 | 72.2 | 0 | 0 | 0 | 112 | R417 L418 S423 V426 L427 | R417-L421 WeakPolarHBondContact O-CB 3.33Å; R417-L421 PolarHBondContact O-N 2.97Å; L418-L421 PolarHBondContact O-N 3.32Å; L418-L421 VanDerWaalsContact O-N 3.16Å; L421-S423 VanDerWaalsContact C-N 3.27Å; L421-S423 PolarHBondContact O-N 3.27Å; L421-V426 HydrophobicContact CD1-CG1 3.96Å; L421-V426 WeakPolarHBondContact O-CB 3.39Å; L421-L427 HydrophobicContact CD1-CD1 3.93Å; L421-L427 HydrophobicContact CD1-CG 4.18Å; L421-L427 HydrophobicContact CD2-CD1 4.07Å; L421-L427 HydrophobicContact CG-CD1 3.64Å; L421-L427 HydrophobicContact CG-CG 4.19Å; L421-L427 WeakPolarHBondContact O-CB 3.35Å; L421-L427 WeakPolarHBondContact O-CG 3.24Å; L421-L427 PolarHBondContact O-N 3.08Å |
| 422 | G | 88.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.8 | -17.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L418 V419 W420 L429 | L418-G422 PolarHBondContact O-N 2.76Å; V419-G422 PolarHBondContact O-N 2.77Å; W420-G422 PolarHBondContact O-N 3.48Å; G422-L429 PolarHBondContact O-N 2.98Å |
| 423 | S | 89.4 | Confident | 85.4 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 20% | 0.203 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -56.5 | 152 | -177.5 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | V419 W420 L421 Q425 V426 L427 G428 | V419-S423 PolarHBondContact O-N 2.94Å; W420-S423 VanDerWaalsContact O-CB 3.27Å; W420-S423 WeakPolarHBondContact O-CB 3.5Å; W420-S423 PolarHBondContact O-N 3.45Å; W420-S423 PolarHBondContact O-OG 3.49Å; L421-S423 VanDerWaalsContact C-N 3.27Å; L421-S423 PolarHBondContact O-N 3.27Å; S423-Q425 PolarHBondContact O-N 3.47Å; S423-Q425 VanDerWaalsContact O-N 3.1Å; S423-V426 PolarHBondContact O-N 2.66Å; S423-L427 PolarHBondContact O-N 3.08Å; S423-G428 PolarHBondContact O-N 3.08Å |
| 424 | K | 87.3 | Confident | 84.2 | Confident | 179 Ų | 179 | 69.9 Ų | 69.9 | 78% | 0.778 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.2 | 178.7 | -75.6 | -169.4 | 177.3 | -174.9 | 0 | 114.2 | V426 | K424-V426 VanDerWaalsContact C-N 3.3Š|
| 425 | Q | 88.2 | Confident | 82.8 | Confident | 173 Ų | 173 | 72 Ų | 72 | 81% | 0.808 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -13.8 | 179.1 | -60.8 | 96.3 | 1.1 | 0 | 0 | 113.5 | S423 | S423-Q425 PolarHBondContact O-N 3.47Å; S423-Q425 VanDerWaalsContact O-N 3.1Å |
| 426 | V | 89.5 | Confident | 81.4 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -76.5 | -174.9 | -172 | 0 | 0 | 0 | 0 | 110.9 | W420 L421 S423 K424 | W420-V426 HydrophobicContact CD2-CG2 4.28Å; W420-V426 HydrophobicContact CH2-CG1 4.41Å; W420-V426 HydrophobicContact CH2-CG2 4.28Å; W420-V426 HydrophobicContact CZ2-CG2 3.84Å; W420-V426 HydrophobicContact CZ3-CG1 4.49Å; W420-V426 WeakPolarHBondContact O-CG2 3.35Å; L421-V426 HydrophobicContact CD1-CG1 3.96Å; L421-V426 WeakPolarHBondContact O-CB 3.39Å; S423-V426 PolarHBondContact O-N 2.66Å; K424-V426 VanDerWaalsContact C-N 3.3Å |
| 427 | L | 91.1 | Very high | 79.9 | Confident | 102 Ų | 102 | 78.1 Ų | 78.1 | 53% | 0.534 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -18.2 | 178.2 | -60.9 | -176.4 | 0 | 0 | 0 | 114.1 | L421 S423 L429 | L421-L427 HydrophobicContact CD1-CD1 3.93Å; L421-L427 HydrophobicContact CD1-CG 4.18Å; L421-L427 HydrophobicContact CD2-CD1 4.07Å; L421-L427 HydrophobicContact CG-CD1 3.64Å; L421-L427 HydrophobicContact CG-CG 4.19Å; L421-L427 WeakPolarHBondContact O-CB 3.35Å; L421-L427 WeakPolarHBondContact O-CG 3.24Å; L421-L427 PolarHBondContact O-N 3.08Å; S423-L427 PolarHBondContact O-N 3.08Å; L427-L429 HydrophobicContact CB-CD1 4.11Å; L427-L429 HydrophobicContact CB-CG 3.88Å; L427-L429 HydrophobicContact CD1-CD1 4Å |
| 428 | G | 86.7 | Confident | 78.2 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 38% | 0.381 | 44% | 0.441 | S | S | . | . | trans | 62.3 | 44.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S423 | S423-G428 PolarHBondContact O-N 3.08Š| ||
| 429 | L | 84.3 | Confident | 76.2 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | trans | -90.8 | 117.3 | 176.9 | -59.8 | 174.9 | 0 | 0 | 0 | 109.3 | G422 L427 I432 | G422-L429 PolarHBondContact O-N 2.98Å; L427-L429 HydrophobicContact CB-CD1 4.11Å; L427-L429 HydrophobicContact CB-CG 3.88Å; L427-L429 HydrophobicContact CD1-CD1 4Å; L429-I432 HydrophobicContact CB-CD1 3.73Å; L429-I432 HydrophobicContact CB-CG1 4.28Å; L429-I432 HydrophobicContact CD1-CD1 3.7Å; L429-I432 HydrophobicContact CG-CD1 4.38Å | ||
| 430 | D | 77.1 | Confident | 74.3 | Confident | 146 Ų | 146 | 84.8 Ų | 84.8 | 78% | 0.781 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 142.1 | 173.5 | -67.1 | -39.3 | 0 | 0 | 0 | 110.2 | ||
| 431 | G | 74.9 | Confident | 72.4 | Confident | 52 Ų | 52 | 85 Ų | 85 | 54% | 0.536 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 32 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E436 | G431-E436 WeakPolarHBondContact CA-OE1 3.48Å; G431-E436 WeakPolarHBondContact CA-OE2 3.49Å; G431-E436 VanDerWaalsContact O-CD 3.32Å |
| 432 | I | 72.2 | Confident | 69.9 | Low | 52 Ų | 52 | 90.8 Ų | 90.8 | 27% | 0.267 | 51% | 0.51 | S | S | . | . | trans | -123 | 69 | 168.1 | -51.9 | -176.2 | 0 | 0 | 0 | 109.2 | L418 L429 E436 | L418-I432 HydrophobicContact CB-CG2 4.47Å; L429-I432 HydrophobicContact CB-CD1 3.73Å; L429-I432 HydrophobicContact CB-CG1 4.28Å; L429-I432 HydrophobicContact CD1-CD1 3.7Å; L429-I432 HydrophobicContact CG-CD1 4.38Å; I432-E436 PolarHBondContact N-OE2 3.44Å | ||
| 433 | G | 65.5 | Low | 67.2 | Low | 28 Ų | 28 | 102.8 Ų | 102.8 | 29% | 0.289 | 56% | 0.561 | S | S | . | * | trans | -105.7 | 159.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A435 E436 | G433-A435 PolarHBondContact O-N 3.3Å; G433-A435 VanDerWaalsContact O-N 3.11Å; G433-E436 PolarHBondContact N-OE2 3Å; G433-E436 PolarHBondContact O-N 3.22Å; G433-E436 VanDerWaalsContact O-N 3.12Å | ||
| 434 | E | 65.5 | Low | 66.1 | Low | 95 Ų | 95 | 106.5 Ų | 106.5 | 44% | 0.444 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57 | -29.8 | 178.7 | -69.9 | -171.5 | 161.2 | 0 | 0 | 113.5 | K324 V419 | K324-E434 IonicContact NZ-OE1 3.98Å; K324-E434 PolarHBondContact NZ-OE1 3.31Å; K324-E434 IonicContact NZ-OE2 2.53Å; K324-E434 PolarHBondContact NZ-OE2 3.37Å; V419-E434 HydrophobicContact CG2-CG 3.96Å |
| 435 | A | 61.7 | Low | 65 | Low | 87 Ų | 87 | 102.6 Ų | 102.6 | 72% | 0.719 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -30.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G433 A438 | G433-A435 PolarHBondContact O-N 3.3Å; G433-A435 VanDerWaalsContact O-N 3.11Å; A435-A438 PolarHBondContact O-N 3.27Å |
| 436 | E | 58.7 | Low | 63.7 | Low | 114 Ų | 114 | 98.7 Ų | 98.7 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -28.3 | -178.5 | -73 | 157.6 | 150.7 | 0 | 0 | 111.7 | G431 I432 G433 | G431-E436 WeakPolarHBondContact CA-OE1 3.48Å; G431-E436 WeakPolarHBondContact CA-OE2 3.49Å; G431-E436 VanDerWaalsContact O-CD 3.32Å; I432-E436 PolarHBondContact N-OE2 3.44Å; G433-E436 PolarHBondContact N-OE2 3Å; G433-E436 PolarHBondContact O-N 3.22Å; G433-E436 VanDerWaalsContact O-N 3.12Å |
| 437 | H | 58 | Low | 62.2 | Low | 62 Ų | 62 | 101.2 Ų | 101.2 | 29% | 0.287 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -6.2 | 176 | -64.1 | -55.7 | 0 | 0 | 0 | 114.1 | I415 | I415-H437 HydrophobicContact CD1-CB 4.07Å; I415-H437 HydrophobicContact CG1-CB 4.14Å; I415-H437 HydrophobicContact CG2-CB 4.1Å |
| 438 | A | 52.1 | Low | 60.4 | Low | 55 Ų | 55 | 101.2 Ų | 101.2 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | -21.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | A435 D440 R441 | A435-A438 PolarHBondContact O-N 3.27Å; A438-D440 VanDerWaalsContact C-N 3.27Å; A438-D440 PolarHBondContact O-N 3.16Å; A438-R441 PolarHBondContact O-N 2.96Å |
| 439 | G | 45.7 | Very low | 58.6 | Low | 60 Ų | 60 | 105.5 Ų | 105.5 | 62% | 0.619 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -68.4 | -14 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 440 | D | 49.1 | Very low | 56.8 | Low | 140 Ų | 140 | 106.7 Ų | 106.7 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -91 | 6.8 | 178.4 | -83.9 | -23.2 | 0 | 0 | 0 | 113.9 | A438 | A438-D440 VanDerWaalsContact C-N 3.27Å; A438-D440 PolarHBondContact O-N 3.16Å |
| 441 | R | 47.1 | Very low | 55.2 | Low | 154 Ų | 154 | 103.7 Ų | 103.7 | 58% | 0.581 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -88.7 | -2.5 | 177 | -69.2 | -171.3 | -160.9 | -159.8 | 2.8 | 115 | A438 | A438-R441 PolarHBondContact O-N 2.96Š|
| 442 | E | 35.6 | Very low | 53.6 | Low | 194 Ų | 194 | 108 Ų | 108 | 91% | 0.907 | 58% | 0.58 | S | S | * | * | trans | -115.5 | 18 | -175.4 | -110.2 | 179.9 | 179.2 | 0 | 0 | 114.6 | ||||
| 443 | K | 31.6 | Very low | 51.9 | Low | 255 Ų | 255 | 113.1 Ų | 113.1 | 100% | 1.109 | 61% | 0.608 | S | S | * | * | trans | -125.2 | 0 | 166.7 | -74.7 | -175.6 | 179.6 | 175.9 | 0 | 110 |
Retrieved 443 of 443 residues in 218.9 ms
(Link to these results)