| 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 | 35.5 | Very low | 34.1 | Very low | 240 Ų | 240 | 163.4 Ų | 163.4 | 100% | 1.182 | 85% | 0.852 | S | S | * | * | 0 | 97.5 | 0 | -68.3 | 168.9 | 88.6 | 0 | 0 | 106.6 | |||||
| 2 | S | 31.8 | Very low | 34 | Very low | 122 Ų | 122 | 164.9 Ų | 164.9 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | 70.2 | 123 | 111.9 | -162.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 3 | A | 35.1 | Very low | 34.5 | Very low | 82 Ų | 82 | 158.4 Ų | 158.4 | 68% | 0.678 | 85% | 0.845 | S | S | * | * | cis | -155.7 | 131.5 | 36.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 4 | L | 36.7 | Very low | 34.1 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | trans | -70.1 | 137.8 | 153.6 | -79 | 139.8 | 0 | 0 | 0 | 108.7 | ||||
| 5 | R | 32.5 | Very low | 34 | Very low | 238 Ų | 238 | 153.6 Ų | 153.6 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -119.2 | 145.5 | 161.2 | -88.4 | -172.9 | 176.1 | -169.3 | 0.4 | 109.9 | ||||
| 6 | P | 37.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -91.8 | 148 | -148.3 | 34.7 | -33.5 | 0 | 0 | 0 | 113.7 | R8 | P6-R8 PolarHBondContact O-N 3.44Š| ||
| 7 | L | 34.1 | Very low | 33.9 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -57 | 119.7 | 161.8 | -88.2 | 128 | 0 | 0 | 0 | 109.6 | T9 | L7-T9 PolarHBondContact O-N 2.96Š| ||
| 8 | R | 30.4 | Very low | 34.1 | Very low | 231 Ų | 231 | 153.5 Ų | 153.5 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -75.5 | 105.6 | 164.5 | -92.1 | -176.9 | 169.1 | -175.6 | -3.4 | 108.7 | P6 L10 | P6-R8 PolarHBondContact O-N 3.44Å; R8-L10 PolarHBondContact O-N 3.45Å | ||
| 9 | T | 36 | Very low | 34.4 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -62.4 | 106.6 | 159.6 | -37.9 | 0 | 0 | 0 | 0 | 108.4 | L7 L11 | L7-T9 PolarHBondContact O-N 2.96Å; T9-L11 HydrophobicContact CG2-CG 4.41Å | ||
| 10 | L | 31.7 | Very low | 34.8 | Very low | 137 Ų | 137 | 154.1 Ų | 154.1 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | -94.5 | 94.7 | 162.5 | -81.8 | 169.1 | 0 | 0 | 0 | 107.8 | R8 F12 | R8-L10 PolarHBondContact O-N 3.45Å; L10-F12 HydrophobicContact CB-CD2 4.34Å; L10-F12 HydrophobicContact CD2-CE2 4.09Å; L10-F12 PolarHBondContact O-N 3.28Å; L10-F12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | L | 34 | Very low | 35 | Very low | 161 Ų | 161 | 155.9 Ų | 155.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -64.8 | 98.6 | 158 | -76.3 | 160 | 0 | 0 | 0 | 107.7 | T9 | T9-L11 HydrophobicContact CG2-CG 4.41Š| ||
| 12 | F | 32.8 | Very low | 35.6 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -104.2 | 102.9 | 153.6 | -86 | -78.5 | 0 | 0 | 0 | 107.6 | L10 G14 | L10-F12 HydrophobicContact CB-CD2 4.34Å; L10-F12 HydrophobicContact CD2-CE2 4.09Å; L10-F12 PolarHBondContact O-N 3.28Å; L10-F12 VanDerWaalsContact O-N 3.14Å; F12-G14 VanDerWaalsContact C-N 3.29Å; F12-G14 PolarHBondContact O-N 3.32Å | ||
| 13 | G | 40 | Very low | 36.8 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -61.4 | 93.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 14 | G | 28.5 | Very low | 39 | Very low | 50 Ų | 50 | 144.9 Ų | 144.9 | 52% | 0.515 | 75% | 0.753 | S | S | . | * | trans | -81.6 | 113.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | F12 Y16 | F12-G14 VanDerWaalsContact C-N 3.29Å; F12-G14 PolarHBondContact O-N 3.32Å; G14-Y16 PolarHBondContact O-N 2.9Å | ||
| 15 | H | 33.6 | Very low | 41.4 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 90% | 0.903 | 73% | 0.734 | S | S | * | * | trans | -56.3 | 88.7 | 156.3 | -88.2 | -84.4 | 0 | 0 | 0 | 107.3 | S17 | H15-S17 PolarHBondContact O-N 3.25Š| ||
| 16 | Y | 32 | Very low | 44.2 | Very low | 207 Ų | 207 | 134 Ų | 134 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -66.9 | 87.7 | 157.8 | -77.4 | -82 | 0 | 0 | 0 | 105.1 | G14 L18 | G14-Y16 PolarHBondContact O-N 2.9Å; Y16-L18 PolarHBondContact O-N 2.96Å | ||
| 17 | S | 33.9 | Very low | 46.7 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 70% | 0.695 | S | S | * | * | trans | -57.8 | 93.6 | 153.9 | -171.5 | 0 | 0 | 0 | 0 | 105.1 | H15 T19 | H15-S17 PolarHBondContact O-N 3.25Å; S17-T19 PolarHBondContact O-N 3.44Å; S17-T19 PolarHBondContact O-OG1 2.87Å | ||
| 18 | L | 37.7 | Very low | 49.5 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 85% | 0.853 | 66% | 0.66 | S | S | * | * | trans | -64.5 | 68.2 | 159 | -76.9 | 162.4 | 0 | 0 | 0 | 106.1 | Y16 R20 | Y16-L18 PolarHBondContact O-N 2.96Å; L18-R20 PolarHBondContact O-N 2.71Å | ||
| 19 | T | 39 | Very low | 52.5 | Low | 91 Ų | 91 | 118 Ų | 118 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | trans | -65 | 93.1 | 156.1 | 34.5 | 0 | 0 | 0 | 0 | 103.9 | S17 F21 | S17-T19 PolarHBondContact O-N 3.44Å; S17-T19 PolarHBondContact O-OG1 2.87Å; T19-F21 PolarHBondContact O-N 2.85Å | ||
| 20 | R | 42.9 | Very low | 55.3 | Low | 227 Ų | 227 | 121.2 Ų | 121.2 | 86% | 0.857 | 64% | 0.636 | S | S | * | * | trans | -49.2 | 101 | 152.7 | -129.1 | -179.5 | -168.5 | -167.6 | 3.7 | 103.7 | L18 C22 | L18-R20 PolarHBondContact O-N 2.71Å; R20-C22 PolarHBondContact O-N 2.94Å | ||
| 21 | F | 38.7 | Very low | 58.3 | Low | 193 Ų | 193 | 117.8 Ų | 117.8 | 85% | 0.846 | 61% | 0.614 | S | S | * | * | trans | -60 | 91.4 | 162.3 | -84 | -89.8 | 0 | 0 | 0 | 103.8 | T19 S23 | T19-F21 PolarHBondContact O-N 2.85Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 3.47Å | ||
| 22 | C | 48.2 | Very low | 61.2 | Low | 111 Ų | 111 | 111.3 Ų | 111.3 | 75% | 0.75 | 58% | 0.581 | S | S | * | * | trans | -52.6 | 105.3 | 163.1 | -76.4 | 0 | 0 | 0 | 0 | 103.9 | R20 G24 | R20-C22 PolarHBondContact O-N 2.94Å; C22-G24 PolarHBondContact O-N 2.79Å; C22-G24 VanDerWaalsContact O-N 3.13Å | ||
| 23 | S | 56.7 | Low | 64.3 | Low | 66 Ų | 66 | 106.1 Ų | 106.1 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | trans | -43.9 | 124.6 | -173.9 | 168.9 | 0 | 0 | 0 | 0 | 109.1 | F21 F25 V26 | F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 3.47Å; S23-F25 PolarHBondContact O-N 3.07Å; S23-F25 VanDerWaalsContact OG-CB 3.26Å; S23-F25 WeakPolarHBondContact OG-CB 3.43Å; S23-F25 PolarHBondContact OG-N 3.28Å; S23-V26 PolarHBondContact O-N 3.37Å | ||
| 24 | G | 81.8 | Confident | 67 | Low | 35 Ų | 35 | 108 Ų | 108 | 36% | 0.361 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -49.8 | -28.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C22 S27 R28 | C22-G24 PolarHBondContact O-N 2.79Å; C22-G24 VanDerWaalsContact O-N 3.13Å; G24-S27 PolarHBondContact O-N 3.43Å; G24-R28 WeakPolarHBondContact O-CB 3.31Å; G24-R28 VanDerWaalsContact O-CG 3.23Å; G24-R28 WeakPolarHBondContact O-CG 3.41Å; G24-R28 PolarHBondContact O-N 2.85Å |
| 25 | F | 87.6 | Confident | 70.2 | Confident | 120 Ų | 120 | 105.7 Ų | 105.7 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -54.5 | -55.3 | 173.3 | -177.7 | -98.9 | 0 | 0 | 0 | 114 | S23 S27 R28 I29 | S23-F25 PolarHBondContact O-N 3.07Å; S23-F25 VanDerWaalsContact OG-CB 3.26Å; S23-F25 WeakPolarHBondContact OG-CB 3.43Å; S23-F25 PolarHBondContact OG-N 3.28Å; F25-S27 VanDerWaalsContact C-N 3.28Å; F25-S27 PolarHBondContact O-N 3.47Å; F25-R28 PolarHBondContact O-N 3.38Å; F25-I29 HydrophobicContact CD1-CG1 4.24Å; F25-I29 HydrophobicContact CD2-CG1 4.11Å; F25-I29 HydrophobicContact CE1-CG1 3.9Å; F25-I29 HydrophobicContact CE2-CD1 4.02Å; F25-I29 HydrophobicContact CE2-CG1 3.75Å; F25-I29 HydrophobicContact CG-CG1 4.34Å; F25-I29 HydrophobicContact CZ-CD1 4.23Å; F25-I29 HydrophobicContact CZ-CG1 3.64Å; F25-I29 WeakPolarHBondContact O-CG1 3.44Å; F25-I29 PolarHBondContact O-N 3.4Å |
| 26 | V | 90.7 | Very high | 73.3 | Confident | 67 Ų | 67 | 100.7 Ų | 100.7 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | -175.1 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | S23 R30 | S23-V26 PolarHBondContact O-N 3.37Å; V26-R30 HydrophobicContact CG1-CG 4.47Å; V26-R30 WeakPolarHBondContact O-CB 3.21Å; V26-R30 VanDerWaalsContact O-CG 3.32Å; V26-R30 WeakPolarHBondContact O-CG 3Å; V26-R30 PolarHBondContact O-N 3.01Å |
| 27 | S | 90.8 | Very high | 76.3 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 43% | 0.434 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | G24 F25 I29 R30 Y31 | G24-S27 PolarHBondContact O-N 3.43Å; F25-S27 VanDerWaalsContact C-N 3.28Å; F25-S27 PolarHBondContact O-N 3.47Å; S27-I29 PolarHBondContact O-N 3.32Å; S27-R30 PolarHBondContact O-N 2.99Å; S27-Y31 WeakPolarHBondContact O-CB 3.33Å; S27-Y31 PolarHBondContact O-N 3.19Å |
| 28 | R | 92.2 | Very high | 79.3 | Confident | 39 Ų | 39 | 97.1 Ų | 97.1 | 15% | 0.147 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 177.7 | -77 | -170 | -53.7 | -107.1 | 22.9 | 113.1 | G24 F25 R30 Y31 I32 C101 S102 E103 N105 | G24-R28 WeakPolarHBondContact O-CB 3.31Å; G24-R28 VanDerWaalsContact O-CG 3.23Å; G24-R28 WeakPolarHBondContact O-CG 3.41Å; G24-R28 PolarHBondContact O-N 2.85Å; F25-R28 PolarHBondContact O-N 3.38Å; R28-R30 PolarHBondContact O-N 2.99Å; R28-Y31 WeakPolarHBondContact O-CB 3.35Å; R28-Y31 PolarHBondContact O-N 3.36Å; R28-I32 WeakPolarHBondContact O-CG1 3.5Å; R28-I32 PolarHBondContact O-N 2.59Å; R28-C101 VanDerWaalsContact CG-SG 3.59Å; R28-S102 VanDerWaalsContact CD-O 3.23Å; R28-S102 WeakPolarHBondContact CD-O 3.37Å; R28-E103 VanDerWaalsContact CZ-CD 3.44Å; R28-E103 IonicContact CZ-OE1 3.08Å; R28-E103 IonicContact CZ-OE2 3.23Å; R28-E103 VanDerWaalsContact CZ-OE2 3.23Å; R28-E103 IonicContact NE-OE1 3.74Å; R28-E103 IonicContact NH1-OE1 3.33Å; R28-E103 PolarHBondContact NH1-OE1 3.09Å; R28-E103 IonicContact NH1-OE2 2.62Å; R28-E103 PolarHBondContact NH1-OE2 3.24Å; R28-E103 IonicContact NH2-OE1 2.85Å; R28-E103 PolarHBondContact NH2-OE1 3.2Å; R28-E103 IonicContact NH2-OE2 3.27Å; R28-E103 PolarHBondContact NH2-OE2 3.08Å; R28-N105 WeakPolarHBondContact CA-OD1 3.37Å; R28-N105 WeakPolarHBondContact CG-OD1 3.42Å |
| 29 | I | 93.6 | Very high | 82.1 | Confident | 82 Ų | 82 | 93.3 Ų | 93.3 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | -177.5 | -62.5 | -51.4 | 0 | 0 | 0 | 110.9 | F25 S27 I32 N33 | F25-I29 HydrophobicContact CD1-CG1 4.24Å; F25-I29 HydrophobicContact CD2-CG1 4.11Å; F25-I29 HydrophobicContact CE1-CG1 3.9Å; F25-I29 HydrophobicContact CE2-CD1 4.02Å; F25-I29 HydrophobicContact CE2-CG1 3.75Å; F25-I29 HydrophobicContact CG-CG1 4.34Å; F25-I29 HydrophobicContact CZ-CD1 4.23Å; F25-I29 HydrophobicContact CZ-CG1 3.64Å; F25-I29 WeakPolarHBondContact O-CG1 3.44Å; F25-I29 PolarHBondContact O-N 3.4Å; S27-I29 PolarHBondContact O-N 3.32Å; I29-I32 PolarHBondContact O-N 2.64Å; I29-N33 WeakPolarHBondContact O-CB 3.29Å; I29-N33 PolarHBondContact O-N 2.83Å |
| 30 | R | 94.3 | Very high | 84.9 | Confident | 188 Ų | 188 | 92.4 Ų | 92.4 | 71% | 0.709 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 174.4 | -73.3 | 179 | 175.9 | 177.9 | -1.3 | 112.3 | V26 S27 R28 N33 K34 | V26-R30 HydrophobicContact CG1-CG 4.47Å; V26-R30 WeakPolarHBondContact O-CB 3.21Å; V26-R30 VanDerWaalsContact O-CG 3.32Å; V26-R30 WeakPolarHBondContact O-CG 3Å; V26-R30 PolarHBondContact O-N 3.01Å; S27-R30 PolarHBondContact O-N 2.99Å; R28-R30 PolarHBondContact O-N 2.99Å; R30-N33 PolarHBondContact O-N 2.95Å; R30-K34 WeakPolarHBondContact O-CB 3.17Å; R30-K34 PolarHBondContact O-N 3.07Å |
| 31 | Y | 95.3 | Very high | 87.4 | Confident | 65 Ų | 65 | 82.6 Ų | 82.6 | 26% | 0.255 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.5 | -51 | 174.6 | 176.9 | -121.8 | 0 | 0 | 0 | 111.1 | S27 R28 N33 K34 L35 A45 C101 N105 A107 | S27-Y31 WeakPolarHBondContact O-CB 3.33Å; S27-Y31 PolarHBondContact O-N 3.19Å; R28-Y31 WeakPolarHBondContact O-CB 3.35Å; R28-Y31 PolarHBondContact O-N 3.36Å; Y31-N33 VanDerWaalsContact C-N 3.3Å; Y31-N33 PolarHBondContact O-N 2.82Å; Y31-K34 WeakPolarHBondContact O-CB 3.46Å; Y31-K34 PolarHBondContact O-N 2.98Å; Y31-L35 HydrophobicContact CD1-CD1 4.42Å; Y31-L35 HydrophobicContact CD2-CD2 4.48Å; Y31-L35 HydrophobicContact CD2-CG 4.43Å; Y31-L35 HydrophobicContact CE1-CD1 3.86Å; Y31-L35 HydrophobicContact CE2-CD1 4.22Å; Y31-L35 HydrophobicContact CE2-CD2 3.85Å; Y31-L35 HydrophobicContact CE2-CG 4.11Å; Y31-L35 WeakPolarHBondContact O-CG 3.48Å; Y31-L35 PolarHBondContact O-N 3.2Å; Y31-A45 WeakPolarHBondContact OH-CB 3.4Å; Y31-C101 HydrophobicContact CD1-CB 4.17Å; Y31-C101 HydrophobicContact CE1-CB 4.29Å; Y31-N105 HydrophobicContact CD1-CB 4.19Å; Y31-N105 HydrophobicContact CE1-CB 4.42Å; Y31-N105 WeakPolarHBondContact CE1-O 3.35Å; Y31-A107 HydrophobicContact CE1-CB 4.3Å |
| 32 | I | 95.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 73.4 Ų | 73.4 | 13% | 0.133 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58 | -43.3 | 175.4 | -68.1 | 168 | 0 | 0 | 0 | 111 | R28 I29 K34 L35 K36 L98 C101 | R28-I32 WeakPolarHBondContact O-CG1 3.5Å; R28-I32 PolarHBondContact O-N 2.59Å; I29-I32 PolarHBondContact O-N 2.64Å; I32-K34 PolarHBondContact O-N 3.28Å; I32-L35 PolarHBondContact O-N 2.49Å; I32-K36 HydrophobicContact CG2-CD 4.38Å; I32-K36 WeakPolarHBondContact O-CG 3.33Å; I32-K36 PolarHBondContact O-N 2.84Å; I32-K36 VanDerWaalsContact O-N 3.07Å; I32-L98 HydrophobicContact CG2-CD2 4.31Å; I32-C101 HydrophobicContact CD1-CB 4.34Å; I32-C101 HydrophobicContact CG1-CB 4.17Å |
| 33 | N | 96.4 | Very high | 92.4 | Very high | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 178.2 | -163.6 | 67.4 | 0 | 0 | 0 | 111.6 | I29 R30 Y31 L35 K36 E37 | I29-N33 WeakPolarHBondContact O-CB 3.29Å; I29-N33 PolarHBondContact O-N 2.83Å; R30-N33 PolarHBondContact O-N 2.95Å; Y31-N33 VanDerWaalsContact C-N 3.3Å; Y31-N33 PolarHBondContact O-N 2.82Å; N33-L35 VanDerWaalsContact C-N 3.29Å; N33-L35 PolarHBondContact O-N 3.37Å; N33-K36 WeakPolarHBondContact O-CB 3.48Å; N33-K36 PolarHBondContact O-N 3.5Å; N33-E37 PolarHBondContact ND2-OE1 2.96Å; N33-E37 PolarHBondContact ND2-OE2 2.89Å; N33-E37 PolarHBondContact O-N 3.19Å; N33-E37 VanDerWaalsContact O-N 3.12Å |
| 34 | K | 96.9 | Very high | 94.3 | Very high | 119 Ų | 119 | 71.9 Ų | 71.9 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 174.4 | 179.6 | -176.9 | 177.4 | -177.4 | 0 | 111.9 | R30 Y31 I32 K36 E37 N38 | R30-K34 WeakPolarHBondContact O-CB 3.17Å; R30-K34 PolarHBondContact O-N 3.07Å; Y31-K34 WeakPolarHBondContact O-CB 3.46Å; Y31-K34 PolarHBondContact O-N 2.98Å; I32-K34 PolarHBondContact O-N 3.28Å; K34-K36 VanDerWaalsContact C-N 3.29Å; K34-K36 PolarHBondContact O-N 3.49Å; K34-E37 PolarHBondContact O-N 2.77Å; K34-N38 WeakPolarHBondContact O-CB 3.47Å; K34-N38 PolarHBondContact O-N 2.84Å |
| 35 | L | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.1 | -28.7 | 178.1 | -60 | -173.6 | 0 | 0 | 0 | 112.8 | Y31 I32 N33 A41 C42 A45 L98 A107 | Y31-L35 HydrophobicContact CD1-CD1 4.42Å; Y31-L35 HydrophobicContact CD2-CD2 4.48Å; Y31-L35 HydrophobicContact CD2-CG 4.43Å; Y31-L35 HydrophobicContact CE1-CD1 3.86Å; Y31-L35 HydrophobicContact CE2-CD1 4.22Å; Y31-L35 HydrophobicContact CE2-CD2 3.85Å; Y31-L35 HydrophobicContact CE2-CG 4.11Å; Y31-L35 WeakPolarHBondContact O-CG 3.48Å; Y31-L35 PolarHBondContact O-N 3.2Å; I32-L35 PolarHBondContact O-N 2.49Å; N33-L35 VanDerWaalsContact C-N 3.29Å; N33-L35 PolarHBondContact O-N 3.37Å; L35-A41 HydrophobicContact CD2-CB 4.25Å; L35-C42 VanDerWaalsContact O-CB 3.32Å; L35-C42 WeakPolarHBondContact O-CB 3.43Å; L35-A45 HydrophobicContact CD1-CB 3.82Å; L35-A45 HydrophobicContact CD2-CB 3.64Å; L35-A45 HydrophobicContact CG-CB 4.39Å; L35-L98 HydrophobicContact CB-CD2 3.63Å; L35-L98 HydrophobicContact CD1-CD1 3.85Å; L35-L98 HydrophobicContact CD1-CD2 4.14Å; L35-A107 HydrophobicContact CD1-CB 3.83Å |
| 36 | K | 96.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 65 Ų | 65 | 39% | 0.391 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.9 | -34.2 | 175.9 | -69.6 | 174.9 | 177.1 | 179.8 | 0 | 112.9 | I32 N33 K34 L98 N173 A175 | I32-K36 HydrophobicContact CG2-CD 4.38Å; I32-K36 WeakPolarHBondContact O-CG 3.33Å; I32-K36 PolarHBondContact O-N 2.84Å; I32-K36 VanDerWaalsContact O-N 3.07Å; N33-K36 WeakPolarHBondContact O-CB 3.48Å; N33-K36 PolarHBondContact O-N 3.5Å; K34-K36 VanDerWaalsContact C-N 3.29Å; K34-K36 PolarHBondContact O-N 3.49Å; K36-L98 HydrophobicContact CG-CD2 4.25Å; K36-N173 PolarHBondContact O-ND2 2.76Å; K36-A175 HydrophobicContact CG-CB 4.35Å |
| 37 | E | 96.3 | Very high | 95.5 | Very high | 147 Ų | 147 | 66.8 Ų | 66.8 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -90.4 | -21.4 | -174.9 | -68.4 | 172.7 | 177.3 | 0 | 0 | 113.5 | N33 K34 | N33-E37 PolarHBondContact ND2-OE1 2.96Å; N33-E37 PolarHBondContact ND2-OE2 2.89Å; N33-E37 PolarHBondContact O-N 3.19Å; N33-E37 VanDerWaalsContact O-N 3.12Å; K34-E37 PolarHBondContact O-N 2.77Å |
| 38 | N | 97.4 | Very high | 95.6 | Very high | 74 Ų | 74 | 69.9 Ų | 69.9 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | trans | -126.2 | 104.4 | -175.2 | -174.5 | -38.8 | 0 | 0 | 0 | 111.7 | K34 A40 A41 C42 | K34-N38 WeakPolarHBondContact O-CB 3.47Å; K34-N38 PolarHBondContact O-N 2.84Å; N38-A40 VanDerWaalsContact C-N 3.33Å; N38-A40 PolarHBondContact O-N 2.88Å; N38-A40 PolarHBondContact OD1-N 3.27Å; N38-A40 VanDerWaalsContact OD1-N 3.09Å; N38-A41 HydrophobicContact CB-CB 3.94Å; N38-A41 PolarHBondContact O-N 2.88Å; N38-A41 PolarHBondContact OD1-N 3.41Å; N38-C42 PolarHBondContact O-N 3.15Å | ||
| 39 | D | 96.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.3 | -37.2 | -177.7 | -74.3 | -18 | 0 | 0 | 0 | 113.1 | C42 L43 Q174 | D39-C42 WeakPolarHBondContact O-CB 3.32Å; D39-C42 PolarHBondContact O-N 3.39Å; D39-L43 WeakPolarHBondContact O-CB 3.38Å; D39-L43 PolarHBondContact O-N 2.78Å; D39-Q174 HydrophobicContact CB-CB 3.73Å; D39-Q174 WeakPolarHBondContact OD1-CB 3.28Å; D39-Q174 PolarHBondContact OD1-N 3.19Å |
| 40 | A | 96.4 | Very high | 95.8 | Very high | 72 Ų | 72 | 67.2 Ų | 67.2 | 60% | 0.595 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.2 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N38 C42 L43 S44 | N38-A40 VanDerWaalsContact C-N 3.33Å; N38-A40 PolarHBondContact O-N 2.88Å; N38-A40 PolarHBondContact OD1-N 3.27Å; N38-A40 VanDerWaalsContact OD1-N 3.09Å; A40-C42 VanDerWaalsContact C-N 3.34Å; A40-L43 PolarHBondContact O-N 3Å; A40-S44 WeakPolarHBondContact O-CB 3.35Å; A40-S44 PolarHBondContact O-N 3.17Å |
| 41 | A | 96.8 | Very high | 96 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L35 N38 S44 A45 | L35-A41 HydrophobicContact CD2-CB 4.25Å; N38-A41 HydrophobicContact CB-CB 3.94Å; N38-A41 PolarHBondContact O-N 2.88Å; N38-A41 PolarHBondContact OD1-N 3.41Å; A41-S44 PolarHBondContact O-N 3.16Å; A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 3.05Å |
| 42 | C | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 175.5 | -161.8 | 0 | 0 | 0 | 0 | 112 | L35 N38 D39 A40 S44 A45 L46 Q174 | L35-C42 VanDerWaalsContact O-CB 3.32Å; L35-C42 WeakPolarHBondContact O-CB 3.43Å; N38-C42 PolarHBondContact O-N 3.15Å; D39-C42 WeakPolarHBondContact O-CB 3.32Å; D39-C42 PolarHBondContact O-N 3.39Å; A40-C42 VanDerWaalsContact C-N 3.34Å; C42-S44 PolarHBondContact O-N 3.13Å; C42-A45 WeakPolarHBondContact O-CB 3.38Å; C42-A45 PolarHBondContact O-N 3.26Å; C42-L46 PolarHBondContact O-N 2.79Å; C42-Q174 HydrophobicContact CB-CB 4.11Å; C42-Q174 HydrophobicContact CB-CG 3.81Å |
| 43 | L | 95.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 178.8 | -172.7 | 66.1 | 0 | 0 | 0 | 111.7 | D39 A40 A45 L46 Q47 Q174 | D39-L43 WeakPolarHBondContact O-CB 3.38Å; D39-L43 PolarHBondContact O-N 2.78Å; A40-L43 PolarHBondContact O-N 3Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-L46 WeakPolarHBondContact O-CB 3.32Å; L43-L46 PolarHBondContact O-N 3.49Å; L43-Q47 PolarHBondContact O-N 2.95Å; L43-Q174 HydrophobicContact CB-CG 4.38Å |
| 44 | S | 95.5 | Very high | 96.2 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 174.2 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | A40 A41 C42 Q47 N48 | A40-S44 WeakPolarHBondContact O-CB 3.35Å; A40-S44 PolarHBondContact O-N 3.17Å; A41-S44 PolarHBondContact O-N 3.16Å; C42-S44 PolarHBondContact O-N 3.13Å; S44-Q47 PolarHBondContact O-N 2.71Å; S44-N48 PolarHBondContact O-ND2 3.42Å |
| 45 | A | 96.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.1 | -34.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y31 L35 A41 C42 L43 Q47 N48 G49 A107 F109 | Y31-A45 WeakPolarHBondContact OH-CB 3.4Å; L35-A45 HydrophobicContact CD1-CB 3.82Å; L35-A45 HydrophobicContact CD2-CB 3.64Å; L35-A45 HydrophobicContact CG-CB 4.39Å; A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 3.05Å; C42-A45 WeakPolarHBondContact O-CB 3.38Å; C42-A45 PolarHBondContact O-N 3.26Å; L43-A45 VanDerWaalsContact C-N 3.33Å; A45-Q47 VanDerWaalsContact C-N 3.31Å; A45-Q47 PolarHBondContact O-N 2.76Å; A45-N48 CarbonylContact O-C 3.57Å; A45-N48 PolarHBondContact O-N 2.73Å; A45-G49 WeakPolarHBondContact O-CA 3.42Å; A45-G49 PolarHBondContact O-N 2.85Å; A45-A107 HydrophobicContact CB-CB 3.9Å; A45-F109 HydrophobicContact CB-CZ 4.48Å |
| 46 | L | 96.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 176.3 | 177.2 | 61.5 | 0 | 0 | 0 | 112.2 | C42 L43 N48 G49 I51 Y76 F109 | C42-L46 PolarHBondContact O-N 2.79Å; L43-L46 WeakPolarHBondContact O-CB 3.32Å; L43-L46 PolarHBondContact O-N 3.49Å; L46-N48 PolarHBondContact O-N 3.27Å; L46-G49 PolarHBondContact O-N 3.19Å; L46-I51 HydrophobicContact CD1-CD1 3.84Å; L46-I51 HydrophobicContact CD1-CG1 4.03Å; L46-Y76 HydrophobicContact CG-CD2 4.17Å; L46-Y76 HydrophobicContact CG-CE2 4.36Å; L46-F109 VanDerWaalsContact CA-CE2 3.47Å; L46-F109 HydrophobicContact CB-CE1 4.22Å; L46-F109 HydrophobicContact CB-CE2 4.01Å; L46-F109 HydrophobicContact CB-CZ 3.82Å; L46-F109 HydrophobicContact CD1-CB 4.14Å; L46-F109 HydrophobicContact CD1-CD1 3.89Å; L46-F109 HydrophobicContact CD1-CD2 3.71Å; L46-F109 HydrophobicContact CD1-CE1 4.19Å; L46-F109 HydrophobicContact CD1-CE2 4.02Å; L46-F109 HydrophobicContact CD1-CG 3.65Å; L46-F109 HydrophobicContact CD1-CZ 4.25Å |
| 47 | Q | 93.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.9 | -28.2 | 179.6 | -69.1 | 175.6 | -21.5 | 0 | 0 | 113.4 | L43 S44 A45 Y76 | L43-Q47 PolarHBondContact O-N 2.95Å; S44-Q47 PolarHBondContact O-N 2.71Å; A45-Q47 VanDerWaalsContact C-N 3.31Å; A45-Q47 PolarHBondContact O-N 2.76Å; Q47-Y76 WeakPolarHBondContact O-CB 3.1Å |
| 48 | N | 92.4 | Very high | 96.1 | Very high | 126 Ų | 126 | 48.1 Ų | 48.1 | 67% | 0.674 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 6.2 | -178.1 | -59 | -68.9 | 0 | 0 | 0 | 112.7 | S44 A45 L46 | S44-N48 PolarHBondContact O-ND2 3.42Å; A45-N48 CarbonylContact O-C 3.57Å; A45-N48 PolarHBondContact O-N 2.73Å; L46-N48 PolarHBondContact O-N 3.27Å |
| 49 | G | 94 | Very high | 96 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -91.8 | 178.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A45 L46 A107 | A45-G49 WeakPolarHBondContact O-CA 3.42Å; A45-G49 PolarHBondContact O-N 2.85Å; L46-G49 PolarHBondContact O-N 3.19Å; G49-A107 CarbonylContact C-O 3.52Å; G49-A107 WeakPolarHBondContact CA-O 3.37Å |
| 50 | H | 96.5 | Very high | 96 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 29% | 0.292 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 137.7 | 169.1 | -66.2 | -55 | 0 | 0 | 0 | 110.4 | A73 L74 H106 A107 Q108 F109 | H50-A73 HydrophobicContact CB-CB 4.09Å; H50-L74 CarbonylContact C-O 3.54Å; H50-L74 WeakPolarHBondContact CA-O 3.24Å; H50-H106 AromaticContact NE2-ND1 3.8Å; H50-A107 PolarHBondContact N-O 3.42Å; H50-Q108 CarbonylContact O-C 3.52Å; H50-Q108 WeakPolarHBondContact O-CA 3.45Å; H50-F109 PolarHBondContact O-N 3.19Å |
| 51 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.7 | -178.1 | -53.2 | 171.5 | 0 | 0 | 0 | 108.2 | L46 L53 L74 V79 L93 F109 L111 | L46-I51 HydrophobicContact CD1-CD1 3.84Å; L46-I51 HydrophobicContact CD1-CG1 4.03Å; I51-L53 HydrophobicContact CG2-CD2 4.25Å; I51-L74 PolarHBondContact N-O 3.32Å; I51-L74 PolarHBondContact O-N 3.42Å; I51-V79 HydrophobicContact CB-CG2 3.88Å; I51-V79 HydrophobicContact CD1-CB 4.26Å; I51-V79 HydrophobicContact CD1-CG2 3.98Å; I51-V79 HydrophobicContact CG1-CG2 4.49Å; I51-V79 HydrophobicContact CG2-CG2 4.05Å; I51-L93 HydrophobicContact CD1-CD2 3.6Å; I51-F109 CarbonylContact C-O 3.46Å; I51-F109 WeakPolarHBondContact CA-O 3.44Å; I51-F109 HydrophobicContact CG1-CB 4.33Å; I51-L111 HydrophobicContact CG2-CB 4.01Å |
| 52 | F | 97.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.3 | 174.8 | -61.2 | -79.8 | 0 | 0 | 0 | 109.6 | F54 P71 I72 A73 I99 Q108 F109 C110 L111 L146 | F52-F54 HydrophobicContact CB-CE2 4.27Å; F52-P71 HydrophobicContact CD1-CB 3.74Å; F52-P71 HydrophobicContact CD1-CG 4.29Å; F52-P71 HydrophobicContact CE1-CB 3.93Å; F52-P71 HydrophobicContact CE1-CG 3.98Å; F52-I72 WeakPolarHBondContact CD1-O 3.46Å; F52-A73 HydrophobicContact CE1-CB 3.75Å; F52-A73 HydrophobicContact CZ-CB 3.99Å; F52-I99 HydrophobicContact CD2-CD1 3.69Å; F52-I99 HydrophobicContact CE2-CD1 4.15Å; F52-Q108 HydrophobicContact CE2-CB 4.11Å; F52-Q108 HydrophobicContact CE2-CG 4.13Å; F52-F109 WeakPolarHBondContact CD2-O 3.29Å; F52-F109 PolarHBondContact N-O 3.48Å; F52-C110 VanDerWaalsContact O-CA 3.27Å; F52-C110 WeakPolarHBondContact O-CA 3.43Å; F52-L111 PolarHBondContact O-N 3.45Å; F52-L146 HydrophobicContact CD2-CD2 4.48Å; F52-L146 HydrophobicContact CE1-CD2 4.23Å; F52-L146 HydrophobicContact CE2-CD2 3.78Å; F52-L146 HydrophobicContact CZ-CD2 3.62Å |
| 53 | L | 97.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 142.8 | -177.9 | -62.1 | -176.9 | 0 | 0 | 0 | 112 | I51 L60 L74 V79 L111 V113 I121 | I51-L53 HydrophobicContact CG2-CD2 4.25Å; L53-L60 HydrophobicContact CB-CB 4.18Å; L53-L60 HydrophobicContact CB-CD2 4.08Å; L53-L60 HydrophobicContact CD1-CD2 4.23Å; L53-L60 WeakPolarHBondContact O-CB 3.17Å; L53-L60 PolarHBondContact O-N 3.03Å; L53-L74 HydrophobicContact CD1-CD1 3.52Å; L53-L74 HydrophobicContact CG-CD1 3.88Å; L53-V79 HydrophobicContact CD2-CG1 4.11Å; L53-V79 HydrophobicContact CD2-CG2 4.21Å; L53-L111 CarbonylContact C-O 3.56Å; L53-L111 WeakPolarHBondContact CA-O 3.41Å; L53-L111 HydrophobicContact CD2-CB 4.11Å; L53-L111 HydrophobicContact CD2-CD2 4.16Å; L53-L111 HydrophobicContact CD2-CG 4.42Å; L53-V113 HydrophobicContact CD2-CG1 4.41Å; L53-I121 HydrophobicContact CD1-CG2 4.28Å |
| 54 | F | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152.2 | 172.1 | -72.5 | -105.6 | 0 | 0 | 0 | 109.2 | F52 M58 P59 C110 L111 D112 V113 V147 A150 Q151 L154 | F52-F54 HydrophobicContact CB-CE2 4.27Å; F54-M58 CarbonylContact C-O 3.57Å; F54-M58 WeakPolarHBondContact CA-O 3.41Å; F54-P59 HydrophobicContact CD1-CB 4.02Å; F54-P59 HydrophobicContact CE1-CB 3.58Å; F54-P59 HydrophobicContact CE1-CG 4.2Å; F54-P59 HydrophobicContact CZ-CB 3.92Å; F54-C110 HydrophobicContact CD2-CB 4.12Å; F54-C110 HydrophobicContact CE2-CB 3.9Å; F54-L111 PolarHBondContact N-O 3.25Å; F54-D112 HydrophobicContact CB-CB 4.18Å; F54-D112 CarbonylContact O-C 3.52Å; F54-D112 WeakPolarHBondContact O-CA 3.46Å; F54-V113 WeakPolarHBondContact O-CG2 3.3Å; F54-V113 PolarHBondContact O-N 3.45Å; F54-V147 HydrophobicContact CE1-CG1 4.09Å; F54-V147 HydrophobicContact CZ-CG1 3.9Å; F54-A150 HydrophobicContact CE2-CB 3.6Å; F54-A150 HydrophobicContact CZ-CB 3.49Å; F54-A150 VanDerWaalsContact CZ-CB 3.49Å; F54-Q151 HydrophobicContact CE1-CB 3.87Å; F54-Q151 HydrophobicContact CE1-CG 4.37Å; F54-L154 HydrophobicContact CB-CD1 3.79Å; F54-L154 HydrophobicContact CD1-CD1 3.99Å; F54-L154 HydrophobicContact CD2-CD1 3.54Å; F54-L154 HydrophobicContact CE1-CD1 4.5Å; F54-L154 HydrophobicContact CE2-CD1 4.12Å; F54-L154 HydrophobicContact CG-CD1 3.48Å; F54-L154 VanDerWaalsContact CG-CD1 3.48Å |
| 55 | H | 96.5 | Very high | 93.8 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 111.6 | 168 | -172.8 | -77.7 | 0 | 0 | 0 | 108.3 | L57 M58 L116 F129 | H55-L57 VanDerWaalsContact C-N 3.29Å; H55-L57 PolarHBondContact O-N 3.07Å; H55-M58 PolarHBondContact N-O 3.38Å; H55-M58 VanDerWaalsContact O-CB 3.3Å; H55-M58 WeakPolarHBondContact O-CB 3.32Å; H55-M58 PolarHBondContact O-N 2.95Å; H55-L116 PolarHBondContact NE2-O 3.06Å; H55-F129 HydrophobicContact CB-CD1 3.66Å; H55-F129 HydrophobicContact CB-CD2 3.9Å; H55-F129 HydrophobicContact CB-CE1 3.52Å; H55-F129 HydrophobicContact CB-CE2 3.79Å; H55-F129 HydrophobicContact CB-CG 3.84Å; H55-F129 HydrophobicContact CB-CZ 3.6Å |
| 56 | R | 95.4 | Very high | 92.8 | Very high | 178 Ų | 178 | 45.9 Ų | 45.9 | 67% | 0.672 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 51.4 | -176.5 | -59.4 | 179.1 | -180 | -175.6 | -1.9 | 111.3 | M58 D112 G114 | R56-M58 PolarHBondContact O-N 3.27Å; R56-M58 VanDerWaalsContact O-N 3.17Å; R56-D112 PolarHBondContact N-OD1 3.31Å; R56-D112 PolarHBondContact N-OD2 3.21Å; R56-G114 PolarHBondContact NE-O 3.31Å |
| 57 | L | 95.2 | Very high | 91.7 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 2.9 | -177.2 | -53 | 178.1 | 0 | 0 | 0 | 116.2 | H55 P59 D112 Q151 L154 R155 | H55-L57 VanDerWaalsContact C-N 3.29Å; H55-L57 PolarHBondContact O-N 3.07Å; L57-P59 WeakPolarHBondContact O-CD 3.39Å; L57-D112 PolarHBondContact N-OD2 2.9Å; L57-Q151 HydrophobicContact CB-CG 4Å; L57-Q151 VanDerWaalsContact O-CG 3.3Å; L57-Q151 WeakPolarHBondContact O-CG 3.29Å; L57-L154 HydrophobicContact CD2-CB 3.59Å; L57-R155 HydrophobicContact CD1-CB 3.88Å; L57-R155 HydrophobicContact CD1-CG 4.12Å; L57-R155 VanDerWaalsContact CD1-NH2 3.29Å; L57-R155 HydrophobicContact CD2-CB 4.17Å |
| 58 | M | 96.1 | Very high | 91.2 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.4 | 172.5 | -61.6 | -171.7 | 177 | 0 | 0 | 110.2 | F54 H55 R56 F129 M130 | F54-M58 CarbonylContact C-O 3.57Å; F54-M58 WeakPolarHBondContact CA-O 3.41Å; H55-M58 PolarHBondContact N-O 3.38Å; H55-M58 VanDerWaalsContact O-CB 3.3Å; H55-M58 WeakPolarHBondContact O-CB 3.32Å; H55-M58 PolarHBondContact O-N 2.95Å; R56-M58 PolarHBondContact O-N 3.27Å; R56-M58 VanDerWaalsContact O-N 3.17Å; M58-F129 HydrophobicContact CB-CB 4.08Å; M58-F129 VanDerWaalsContact O-CD1 3.29Å; M58-F129 WeakPolarHBondContact O-CD1 3.42Å; M58-M130 WeakPolarHBondContact CB-O 3.42Å |
| 59 | P | 96.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 144.4 | 176.9 | 26 | -38.7 | 0 | 0 | 0 | 113.2 | F54 L57 L61 F129 M130 L132 V147 | F54-P59 HydrophobicContact CD1-CB 4.02Å; F54-P59 HydrophobicContact CE1-CB 3.58Å; F54-P59 HydrophobicContact CE1-CG 4.2Å; F54-P59 HydrophobicContact CZ-CB 3.92Å; L57-P59 WeakPolarHBondContact O-CD 3.39Å; P59-L61 HydrophobicContact CB-CD2 3.92Å; P59-L61 HydrophobicContact CB-CG 4.25Å; P59-L61 HydrophobicContact CG-CD1 4.37Å; P59-L61 HydrophobicContact CG-CD2 4.25Å; P59-L61 HydrophobicContact CG-CG 4.25Å; P59-L61 PolarHBondContact O-N 2.69Å; P59-F129 WeakPolarHBondContact O-CA 3.44Å; P59-M130 WeakPolarHBondContact CD-O 3.47Å; P59-M130 PolarHBondContact O-N 2.81Å; P59-M130 VanDerWaalsContact O-N 3.15Å; P59-L132 HydrophobicContact CG-CD1 4.1Å; P59-V147 HydrophobicContact CB-CG1 3.53Å; P59-V147 HydrophobicContact CG-CG1 3.61Å |
| 60 | L | 96.4 | Very high | 91 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 112.8 | 167.2 | -177.7 | 62.7 | 0 | 0 | 0 | 110.3 | L53 I72 L122 C125 F129 | L53-L60 HydrophobicContact CB-CB 4.18Å; L53-L60 HydrophobicContact CB-CD2 4.08Å; L53-L60 HydrophobicContact CD1-CD2 4.23Å; L53-L60 WeakPolarHBondContact O-CB 3.17Å; L53-L60 PolarHBondContact O-N 3.03Å; L60-I72 HydrophobicContact CD1-CD1 4.39Å; L60-I72 HydrophobicContact CD2-CB 4.45Å; L60-I72 HydrophobicContact CD2-CD1 4.05Å; L60-I72 HydrophobicContact CG-CD1 3.84Å; L60-I72 HydrophobicContact CG-CG1 4.25Å; L60-I72 PolarHBondContact O-N 2.88Å; L60-L122 HydrophobicContact CD1-CD2 3.48Å; L60-L122 VanDerWaalsContact CD1-CD2 3.48Å; L60-C125 HydrophobicContact CD2-CB 3.72Å; L60-F129 HydrophobicContact CB-CD1 3.99Å; L60-F129 HydrophobicContact CB-CE1 3.64Å; L60-F129 HydrophobicContact CB-CZ 4.4Å; L60-F129 HydrophobicContact CD1-CD1 4.3Å; L60-F129 HydrophobicContact CD1-CE1 4.1Å; L60-F129 HydrophobicContact CD1-CZ 4.21Å; L60-F129 HydrophobicContact CG-CE1 4.36Å |
| 61 | L | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150 | -178.1 | -53.9 | -178.2 | 0 | 0 | 0 | 111.1 | P59 F69 R70 P71 G127 T128 M130 A135 L139 | P59-L61 HydrophobicContact CB-CD2 3.92Å; P59-L61 HydrophobicContact CB-CG 4.25Å; P59-L61 HydrophobicContact CG-CD1 4.37Å; P59-L61 HydrophobicContact CG-CD2 4.25Å; P59-L61 HydrophobicContact CG-CG 4.25Å; P59-L61 PolarHBondContact O-N 2.69Å; L61-F69 HydrophobicContact CB-CB 4.22Å; L61-F69 HydrophobicContact CB-CD1 3.89Å; L61-F69 HydrophobicContact CB-CG 4.5Å; L61-F69 HydrophobicContact CD1-CB 4.16Å; L61-R70 CarbonylContact C-O 3.52Å; L61-R70 WeakPolarHBondContact CA-O 3.26Å; L61-P71 HydrophobicContact CD2-CB 4.04Å; L61-G127 CarbonylContact O-C 3.5Å; L61-G127 WeakPolarHBondContact O-CA 3.28Å; L61-T128 PolarHBondContact N-O 3.07Å; L61-T128 PolarHBondContact O-N 2.83Å; L61-M130 HydrophobicContact CD1-CB 3.95Å; L61-M130 HydrophobicContact CD1-CE 4.41Å; L61-M130 HydrophobicContact CD1-SD 4.09Å; L61-A135 HydrophobicContact CD1-CB 3.73Å; L61-L139 HydrophobicContact CD1-CD2 4.06Å; L61-L139 HydrophobicContact CD1-CG 4.47Å; L61-L139 HydrophobicContact CD2-CD2 3.89Å |
| 62 | Q | 92.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 144.9 | 169.5 | 62.6 | -174.6 | -16.1 | 0 | 0 | 110.1 | S64 F69 R70 I72 | Q62-S64 PolarHBondContact O-N 2.81Å; Q62-F69 WeakPolarHBondContact O-CA 3.28Å; Q62-R70 HydrophobicContact CG-CG 3.56Å; Q62-R70 PolarHBondContact N-O 2.84Å; Q62-R70 PolarHBondContact O-N 3.03Å; Q62-I72 HydrophobicContact CB-CD1 3.87Å; Q62-I72 HydrophobicContact CB-CG1 3.87Å; Q62-I72 HydrophobicContact CG-CD1 4.39Å; Q62-I72 HydrophobicContact CG-CG1 3.87Å |
| 63 | C | 88.4 | Confident | 90.6 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 123.3 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 109 | A65 F69 | C63-A65 PolarHBondContact SG-O 2.78Å; C63-F69 HydrophobicContact CB-CE1 4.35Å |
| 64 | S | 80.3 | Confident | 90.5 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -37 | 177.8 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | Q62 T68 | Q62-S64 PolarHBondContact O-N 2.81Å; S64-T68 PolarHBondContact N-O 3.22Å; S64-T68 PolarHBondContact OG-O 3.33Å; S64-T68 PolarHBondContact OG-OG1 3.06Å; S64-T68 VanDerWaalsContact OG-OG1 3.09Å |
| 65 | A | 77.7 | Confident | 90.4 | Very high | 45 Ų | 45 | 53.5 Ų | 53.5 | 37% | 0.372 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 175.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | C63 E67 T68 | C63-A65 PolarHBondContact SG-O 2.78Å; A65-E67 PolarHBondContact O-N 2.83Å; A65-E67 VanDerWaalsContact O-N 3.08Å; A65-T68 VanDerWaalsContact CB-OG1 3.26Å; A65-T68 WeakPolarHBondContact CB-OG1 3.34Å; A65-T68 PolarHBondContact N-OG1 2.92Å; A65-T68 VanDerWaalsContact N-OG1 3.13Å; A65-T68 PolarHBondContact O-N 3.18Å; A65-T68 VanDerWaalsContact O-N 3.07Å; A65-T68 PolarHBondContact O-OG1 3.1Å |
| 66 | P | 76.2 | Confident | 90.4 | Very high | 124 Ų | 124 | 55.7 Ų | 55.7 | 81% | 0.805 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 120.9 | 174.7 | -24.6 | 34.6 | 0 | 0 | 0 | 110.7 | T68 | P66-T68 PolarHBondContact O-N 3.01Š|
| 67 | E | 72.9 | Confident | 90.4 | Very high | 162 Ų | 162 | 50.9 Ų | 50.9 | 76% | 0.757 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 8.8 | 179.4 | -50.7 | -176.9 | 163.9 | 0 | 0 | 116.4 | A65 L138 | A65-E67 PolarHBondContact O-N 2.83Å; A65-E67 VanDerWaalsContact O-N 3.08Å; E67-L138 WeakPolarHBondContact O-CD2 3.5Å |
| 68 | T | 83.6 | Confident | 90.4 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 24% | 0.239 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.1 | 174.3 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | S64 A65 P66 L138 | S64-T68 PolarHBondContact N-O 3.22Å; S64-T68 PolarHBondContact OG-O 3.33Å; S64-T68 PolarHBondContact OG-OG1 3.06Å; S64-T68 VanDerWaalsContact OG-OG1 3.09Å; A65-T68 VanDerWaalsContact CB-OG1 3.26Å; A65-T68 WeakPolarHBondContact CB-OG1 3.34Å; A65-T68 PolarHBondContact N-OG1 2.92Å; A65-T68 VanDerWaalsContact N-OG1 3.13Å; A65-T68 PolarHBondContact O-N 3.18Å; A65-T68 VanDerWaalsContact O-N 3.07Å; A65-T68 PolarHBondContact O-OG1 3.1Å; P66-T68 PolarHBondContact O-N 3.01Å; T68-L138 WeakPolarHBondContact CA-O 3.34Å |
| 69 | F | 90 | Very high | 90.3 | Very high | 38 Ų | 38 | 51 Ų | 51 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.3 | -178.2 | -75.6 | -100.7 | 0 | 0 | 0 | 110.4 | L61 Q62 C63 T128 M130 L138 L139 | L61-F69 HydrophobicContact CB-CB 4.22Å; L61-F69 HydrophobicContact CB-CD1 3.89Å; L61-F69 HydrophobicContact CB-CG 4.5Å; L61-F69 HydrophobicContact CD1-CB 4.16Å; Q62-F69 WeakPolarHBondContact O-CA 3.28Å; C63-F69 HydrophobicContact CB-CE1 4.35Å; F69-T128 HydrophobicContact CE1-CG2 3.92Å; F69-M130 HydrophobicContact CD1-CE 3.77Å; F69-M130 HydrophobicContact CD2-CE 4.09Å; F69-M130 HydrophobicContact CE1-CE 3.6Å; F69-M130 HydrophobicContact CE2-CE 3.93Å; F69-M130 HydrophobicContact CG-CE 4.01Å; F69-M130 HydrophobicContact CZ-CE 3.68Å; F69-L138 HydrophobicContact CD2-CB 3.84Å; F69-L138 HydrophobicContact CD2-CD1 4.1Å; F69-L138 HydrophobicContact CD2-CG 4.49Å; F69-L138 HydrophobicContact CE2-CD1 4.05Å; F69-L138 PolarHBondContact N-O 3.44Å; F69-L139 WeakPolarHBondContact O-CD2 3.44Å |
| 70 | R | 92.1 | Very high | 90.2 | Very high | 114 Ų | 114 | 54.5 Ų | 54.5 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.5 | 172.3 | 63.3 | 180 | -175.9 | 168.2 | 6.5 | 112.4 | L61 Q62 E143 | L61-R70 CarbonylContact C-O 3.52Å; L61-R70 WeakPolarHBondContact CA-O 3.26Å; Q62-R70 HydrophobicContact CG-CG 3.56Å; Q62-R70 PolarHBondContact N-O 2.84Å; Q62-R70 PolarHBondContact O-N 3.03Å; R70-E143 WeakPolarHBondContact CA-OE2 3.39Å; R70-E143 VanDerWaalsContact CB-OE1 3.24Å; R70-E143 WeakPolarHBondContact CB-OE1 3.18Å; R70-E143 WeakPolarHBondContact CB-OE2 3.38Å |
| 71 | P | 93.7 | Very high | 90.1 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 147.2 | 174.6 | 31.8 | -34.3 | 0 | 0 | 0 | 110.7 | F52 L61 E143 V147 | F52-P71 HydrophobicContact CD1-CB 3.74Å; F52-P71 HydrophobicContact CD1-CG 4.29Å; F52-P71 HydrophobicContact CE1-CB 3.93Å; F52-P71 HydrophobicContact CE1-CG 3.98Å; L61-P71 HydrophobicContact CD2-CB 4.04Å; P71-E143 VanDerWaalsContact CD-OE2 3.25Å; P71-E143 WeakPolarHBondContact CD-OE2 3.31Å; P71-E143 HydrophobicContact CG-CB 4.18Å; P71-E143 HydrophobicContact CG-CG 4.4Å; P71-V147 HydrophobicContact CB-CG2 3.87Å; P71-V147 HydrophobicContact CG-CG2 3.98Å |
| 72 | I | 94.1 | Very high | 90 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | trans | -89 | 113.7 | 177.5 | -51.3 | -174.5 | 0 | 0 | 0 | 108.7 | F52 L60 Q62 L74 | F52-I72 WeakPolarHBondContact CD1-O 3.46Å; L60-I72 HydrophobicContact CD1-CD1 4.39Å; L60-I72 HydrophobicContact CD2-CB 4.45Å; L60-I72 HydrophobicContact CD2-CD1 4.05Å; L60-I72 HydrophobicContact CG-CD1 3.84Å; L60-I72 HydrophobicContact CG-CG1 4.25Å; L60-I72 PolarHBondContact O-N 2.88Å; Q62-I72 HydrophobicContact CB-CD1 3.87Å; Q62-I72 HydrophobicContact CB-CG1 3.87Å; Q62-I72 HydrophobicContact CG-CD1 4.39Å; Q62-I72 HydrophobicContact CG-CG1 3.87Å; I72-L74 HydrophobicContact CG2-CD2 3.71Å; I72-L74 HydrophobicContact CG2-CG 4.03Å | ||
| 73 | A | 94.4 | Very high | 90.1 | Very high | 49 Ų | 49 | 55 Ų | 55 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | H50 F52 | H50-A73 HydrophobicContact CB-CB 4.09Å; F52-A73 HydrophobicContact CE1-CB 3.75Å; F52-A73 HydrophobicContact CZ-CB 3.99Å |
| 74 | L | 95.7 | Very high | 90.3 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 145.6 | 177.9 | -61.4 | 173.8 | 0 | 0 | 0 | 110.6 | H50 I51 L53 I72 E78 V79 | H50-L74 CarbonylContact C-O 3.54Å; H50-L74 WeakPolarHBondContact CA-O 3.24Å; I51-L74 PolarHBondContact N-O 3.32Å; I51-L74 PolarHBondContact O-N 3.42Å; L53-L74 HydrophobicContact CD1-CD1 3.52Å; L53-L74 HydrophobicContact CG-CD1 3.88Å; I72-L74 HydrophobicContact CG2-CD2 3.71Å; I72-L74 HydrophobicContact CG2-CG 4.03Å; L74-E78 HydrophobicContact CB-CB 4.25Å; L74-E78 HydrophobicContact CD2-CB 4.31Å; L74-V79 HydrophobicContact CB-CG2 3.6Å; L74-V79 HydrophobicContact CD1-CG2 3.93Å; L74-V79 HydrophobicContact CG-CG2 4.43Å |
| 75 | S | 95.9 | Very high | 90.8 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | trans | -74.3 | 165.3 | 167.6 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | S77 E78 V79 | S75-S77 VanDerWaalsContact C-N 3.32Å; S75-S77 PolarHBondContact O-N 3.42Å; S75-S77 PolarHBondContact OG-OG 3.14Å; S75-E78 WeakPolarHBondContact CB-OE2 3.19Å; S75-E78 PolarHBondContact N-OE2 2.96Å; S75-E78 PolarHBondContact O-N 2.94Å; S75-E78 VanDerWaalsContact OG-CD 3.3Å; S75-E78 VanDerWaalsContact OG-CG 3.27Å; S75-E78 WeakPolarHBondContact OG-CG 3.33Å; S75-E78 PolarHBondContact OG-N 3.33Å; S75-E78 PolarHBondContact OG-OE2 2.85Å; S75-V79 PolarHBondContact O-N 3.37Å | ||
| 76 | Y | 95.5 | Very high | 91.3 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.4 | -45.9 | 176.5 | -175.9 | -86.6 | 0 | 0 | 0 | 112.8 | L46 Q47 V79 Q80 L93 | L46-Y76 HydrophobicContact CG-CD2 4.17Å; L46-Y76 HydrophobicContact CG-CE2 4.36Å; Q47-Y76 WeakPolarHBondContact O-CB 3.1Å; Y76-V79 PolarHBondContact O-N 2.82Å; Y76-Q80 WeakPolarHBondContact O-CB 3.34Å; Y76-Q80 PolarHBondContact O-N 3.32Å; Y76-L93 HydrophobicContact CD2-CD2 4.09Å; Y76-L93 HydrophobicContact CE1-CD1 4.29Å; Y76-L93 HydrophobicContact CE2-CB 4.33Å; Y76-L93 HydrophobicContact CE2-CD1 4.01Å; Y76-L93 HydrophobicContact CE2-CD2 4.05Å; Y76-L93 HydrophobicContact CE2-CG 4.37Å |
| 77 | S | 95.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 54% | 0.538 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.6 | -35.5 | -178.5 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | S75 Q80 S81 | S75-S77 VanDerWaalsContact C-N 3.32Å; S75-S77 PolarHBondContact O-N 3.42Å; S75-S77 PolarHBondContact OG-OG 3.14Å; S77-Q80 PolarHBondContact O-N 2.95Å; S77-S81 WeakPolarHBondContact O-CB 3.26Å; S77-S81 PolarHBondContact O-N 3.2Å |
| 78 | E | 95.3 | Very high | 92.5 | Very high | 95 Ų | 95 | 49.1 Ų | 49.1 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 174 | -73.7 | 168.1 | 131.9 | 0 | 0 | 111.2 | L74 S75 Q80 S81 V82 | L74-E78 HydrophobicContact CB-CB 4.25Å; L74-E78 HydrophobicContact CD2-CB 4.31Å; S75-E78 WeakPolarHBondContact CB-OE2 3.19Å; S75-E78 PolarHBondContact N-OE2 2.96Å; S75-E78 PolarHBondContact O-N 2.94Å; S75-E78 VanDerWaalsContact OG-CD 3.3Å; S75-E78 VanDerWaalsContact OG-CG 3.27Å; S75-E78 WeakPolarHBondContact OG-CG 3.33Å; S75-E78 PolarHBondContact OG-N 3.33Å; S75-E78 PolarHBondContact OG-OE2 2.85Å; E78-Q80 VanDerWaalsContact C-N 3.34Å; E78-Q80 PolarHBondContact O-N 3.06Å; E78-S81 WeakPolarHBondContact O-CB 3.4Å; E78-S81 PolarHBondContact O-N 2.95Å; E78-V82 VanDerWaalsContact O-CG2 3.27Å; E78-V82 WeakPolarHBondContact O-CG2 3.38Å; E78-V82 PolarHBondContact O-N 3.23Å |
| 79 | V | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 111 | I51 L53 L74 S75 Y76 S81 V82 L83 L93 L111 | I51-V79 HydrophobicContact CB-CG2 3.88Å; I51-V79 HydrophobicContact CD1-CB 4.26Å; I51-V79 HydrophobicContact CD1-CG2 3.98Å; I51-V79 HydrophobicContact CG1-CG2 4.49Å; I51-V79 HydrophobicContact CG2-CG2 4.05Å; L53-V79 HydrophobicContact CD2-CG1 4.11Å; L53-V79 HydrophobicContact CD2-CG2 4.21Å; L74-V79 HydrophobicContact CB-CG2 3.6Å; L74-V79 HydrophobicContact CD1-CG2 3.93Å; L74-V79 HydrophobicContact CG-CG2 4.43Å; S75-V79 PolarHBondContact O-N 3.37Å; Y76-V79 PolarHBondContact O-N 2.82Å; V79-S81 VanDerWaalsContact C-N 3.31Å; V79-S81 PolarHBondContact O-N 2.9Å; V79-V82 PolarHBondContact O-N 3.49Å; V79-L83 HydrophobicContact CG1-CD1 4.08Å; V79-L83 HydrophobicContact CG1-CG 4.16Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.43Å; V79-L83 PolarHBondContact O-N 3.46Å; V79-L93 HydrophobicContact CB-CD2 3.96Å; V79-L93 HydrophobicContact CG1-CD2 3.55Å; V79-L93 HydrophobicContact CG1-CG 4.02Å; V79-L111 HydrophobicContact CG1-CD2 4.08Å |
| 80 | Q | 94.8 | Very high | 92.4 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 176.9 | -169.7 | 175.8 | 20.7 | 0 | 0 | 111.9 | Y76 S77 E78 L83 H84 L93 | Y76-Q80 WeakPolarHBondContact O-CB 3.34Å; Y76-Q80 PolarHBondContact O-N 3.32Å; S77-Q80 PolarHBondContact O-N 2.95Å; E78-Q80 VanDerWaalsContact C-N 3.34Å; E78-Q80 PolarHBondContact O-N 3.06Å; Q80-L83 PolarHBondContact O-N 2.93Å; Q80-H84 PolarHBondContact O-CD2 3.49Å; Q80-H84 PolarHBondContact O-N 3.37Å; Q80-L93 HydrophobicContact CB-CD1 3.75Å; Q80-L93 HydrophobicContact CG-CD1 4.16Å |
| 81 | S | 93.9 | Very high | 92.2 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | S77 E78 V79 K85 | S77-S81 WeakPolarHBondContact O-CB 3.26Å; S77-S81 PolarHBondContact O-N 3.2Å; E78-S81 WeakPolarHBondContact O-CB 3.4Å; E78-S81 PolarHBondContact O-N 2.95Å; V79-S81 VanDerWaalsContact C-N 3.31Å; V79-S81 PolarHBondContact O-N 2.9Å; S81-K85 WeakPolarHBondContact O-CB 3.15Å; S81-K85 VanDerWaalsContact O-CG 3.27Å; S81-K85 WeakPolarHBondContact O-CG 3.5Å; S81-K85 PolarHBondContact O-N 2.88Å |
| 82 | V | 93.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | E78 V79 K85 S86 I121 N124 | E78-V82 VanDerWaalsContact O-CG2 3.27Å; E78-V82 WeakPolarHBondContact O-CG2 3.38Å; E78-V82 PolarHBondContact O-N 3.23Å; V79-V82 PolarHBondContact O-N 3.49Å; V82-K85 PolarHBondContact O-N 2.89Å; V82-S86 WeakPolarHBondContact O-CB 3.33Å; V82-S86 PolarHBondContact O-N 3.22Å; V82-S86 VanDerWaalsContact O-N 3.08Å; V82-S86 PolarHBondContact O-OG 3.45Å; V82-I121 HydrophobicContact CG1-CB 4.4Å; V82-I121 HydrophobicContact CG1-CG1 4.24Å; V82-I121 HydrophobicContact CG1-CG2 4.02Å; V82-N124 HydrophobicContact CG2-CB 3.9Å |
| 83 | L | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 179 | -70.5 | -179.9 | 0 | 0 | 0 | 111.7 | V79 Q80 K85 S86 G87 S88 L92 L93 V113 L116 | V79-L83 HydrophobicContact CG1-CD1 4.08Å; V79-L83 HydrophobicContact CG1-CG 4.16Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.43Å; V79-L83 PolarHBondContact O-N 3.46Å; Q80-L83 PolarHBondContact O-N 2.93Å; L83-K85 PolarHBondContact O-N 3.46Å; L83-S86 CarbonylContact O-C 3.54Å; L83-S86 PolarHBondContact O-N 2.84Å; L83-G87 PolarHBondContact O-N 3Å; L83-S88 WeakPolarHBondContact O-CB 3.32Å; L83-S88 PolarHBondContact O-N 3.37Å; L83-L92 HydrophobicContact CD1-CB 4.17Å; L83-L92 HydrophobicContact CD2-CB 4.41Å; L83-L92 HydrophobicContact CD2-CD1 4.19Å; L83-L93 HydrophobicContact CD1-CB 4.48Å; L83-L93 HydrophobicContact CD1-CD1 4.04Å; L83-L93 HydrophobicContact CD1-CG 3.7Å; L83-V113 HydrophobicContact CD2-CG1 3.89Å; L83-L116 HydrophobicContact CD2-CD1 3.52Å |
| 84 | H | 92.7 | Very high | 91.9 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 46% | 0.458 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 178 | -77 | -49.1 | 0 | 0 | 0 | 112.6 | Q80 S86 G87 S88 | Q80-H84 PolarHBondContact O-CD2 3.49Å; Q80-H84 PolarHBondContact O-N 3.37Å; H84-S86 PolarHBondContact O-N 3.48Å; H84-G87 PolarHBondContact O-N 3.24Å; H84-G87 VanDerWaalsContact O-N 3.12Å; H84-S88 WeakPolarHBondContact CA-O 3.35Å; H84-S88 PolarHBondContact ND1-O 2.88Å; H84-S88 VanDerWaalsContact ND1-O 3.16Å |
| 85 | K | 91.1 | Very high | 91.8 | Very high | 132 Ų | 132 | 57.5 Ų | 57.5 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67 | -17.8 | 176.3 | -70.1 | 176.2 | -178 | 175.2 | 0 | 113.6 | S81 V82 L83 N124 | S81-K85 WeakPolarHBondContact O-CB 3.15Å; S81-K85 VanDerWaalsContact O-CG 3.27Å; S81-K85 WeakPolarHBondContact O-CG 3.5Å; S81-K85 PolarHBondContact O-N 2.88Å; V82-K85 PolarHBondContact O-N 2.89Å; L83-K85 PolarHBondContact O-N 3.46Å; K85-N124 WeakPolarHBondContact CD-OD1 3.33Å; K85-N124 PolarHBondContact NZ-OD1 2.9Å |
| 86 | S | 87.9 | Confident | 91.8 | Very high | 21 Ų | 21 | 55.8 Ų | 55.8 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.7 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 112.6 | V82 L83 H84 | V82-S86 WeakPolarHBondContact O-CB 3.33Å; V82-S86 PolarHBondContact O-N 3.22Å; V82-S86 VanDerWaalsContact O-N 3.08Å; V82-S86 PolarHBondContact O-OG 3.45Å; L83-S86 CarbonylContact O-C 3.54Å; L83-S86 PolarHBondContact O-N 2.84Å; H84-S86 PolarHBondContact O-N 3.48Å |
| 87 | G | 86.1 | Confident | 92 | Very high | 74 Ų | 74 | 53 Ų | 53 | 76% | 0.763 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 10.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L83 H84 | L83-G87 PolarHBondContact O-N 3Å; H84-G87 PolarHBondContact O-N 3.24Å; H84-G87 VanDerWaalsContact O-N 3.12Å |
| 88 | S | 89.5 | Confident | 92.1 | Very high | 15 Ų | 15 | 50 Ų | 50 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | trans | -92.4 | 147 | 174.3 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | L83 H84 G90 | L83-S88 WeakPolarHBondContact O-CB 3.32Å; L83-S88 PolarHBondContact O-N 3.37Å; H84-S88 WeakPolarHBondContact CA-O 3.35Å; H84-S88 PolarHBondContact ND1-O 2.88Å; H84-S88 VanDerWaalsContact ND1-O 3.16Å; S88-G90 PolarHBondContact O-N 2.83Å; S88-G90 PolarHBondContact OG-N 2.72Å | ||
| 89 | D | 86.5 | Confident | 92.1 | Very high | 118 Ų | 118 | 45.6 Ų | 45.6 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | trans | -75.5 | 0.1 | 173.8 | 69.1 | -14.1 | 0 | 0 | 0 | 113.5 | S91 | D89-S91 VanDerWaalsContact C-N 3.3Å; D89-S91 WeakPolarHBondContact OD1-CB 3.43Å; D89-S91 PolarHBondContact OD1-N 2.83Å; D89-S91 PolarHBondContact OD1-OG 3.14Å | ||
| 90 | G | 83.9 | Confident | 92.1 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 83.8 | -1.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S88 L92 L93 | S88-G90 PolarHBondContact O-N 2.83Å; S88-G90 PolarHBondContact OG-N 2.72Å; G90-L92 PolarHBondContact O-N 3.25Å; G90-L93 WeakPolarHBondContact O-CB 3.37Å; G90-L93 PolarHBondContact O-N 3.36Å; G90-L93 VanDerWaalsContact O-N 3.07Å |
| 91 | S | 88.8 | Confident | 92 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -58.2 | -31.4 | 177.8 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | D89 L93 K94 | D89-S91 VanDerWaalsContact C-N 3.3Å; D89-S91 WeakPolarHBondContact OD1-CB 3.43Å; D89-S91 PolarHBondContact OD1-N 2.83Å; D89-S91 PolarHBondContact OD1-OG 3.14Å; S91-L93 PolarHBondContact O-N 3.3Å; S91-L93 VanDerWaalsContact O-N 3.15Å; S91-K94 WeakPolarHBondContact O-CB 3.3Å; S91-K94 PolarHBondContact O-N 3.15Å |
| 92 | L | 91.3 | Very high | 91.8 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -56.3 | -27.2 | 175.7 | -72.1 | 174.2 | 0 | 0 | 0 | 113.5 | L83 G90 K94 E95 L111 L116 | L83-L92 HydrophobicContact CD1-CB 4.17Å; L83-L92 HydrophobicContact CD2-CB 4.41Å; L83-L92 HydrophobicContact CD2-CD1 4.19Å; G90-L92 PolarHBondContact O-N 3.25Å; L92-K94 PolarHBondContact O-N 3.07Å; L92-K94 VanDerWaalsContact O-N 3.15Å; L92-E95 WeakPolarHBondContact O-CA 3.4Å; L92-E95 VanDerWaalsContact O-CB 3.3Å; L92-E95 WeakPolarHBondContact O-CB 3.32Å; L92-E95 PolarHBondContact O-N 3.24Å; L92-L111 WeakPolarHBondContact O-CD1 3.32Å; L92-L116 HydrophobicContact CD1-CD1 4.02Å; L92-L116 HydrophobicContact CD1-CD2 4.27Å; L92-L116 HydrophobicContact CD1-CG 4.15Å |
| 93 | L | 93.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -57.8 | -31 | 175.8 | -91.1 | 159.3 | 0 | 0 | 0 | 112.6 | I51 Y76 V79 Q80 L83 G90 S91 E95 S96 | I51-L93 HydrophobicContact CD1-CD2 3.6Å; Y76-L93 HydrophobicContact CD2-CD2 4.09Å; Y76-L93 HydrophobicContact CE1-CD1 4.29Å; Y76-L93 HydrophobicContact CE2-CB 4.33Å; Y76-L93 HydrophobicContact CE2-CD1 4.01Å; Y76-L93 HydrophobicContact CE2-CD2 4.05Å; Y76-L93 HydrophobicContact CE2-CG 4.37Å; V79-L93 HydrophobicContact CB-CD2 3.96Å; V79-L93 HydrophobicContact CG1-CD2 3.55Å; V79-L93 HydrophobicContact CG1-CG 4.02Å; Q80-L93 HydrophobicContact CB-CD1 3.75Å; Q80-L93 HydrophobicContact CG-CD1 4.16Å; L83-L93 HydrophobicContact CD1-CB 4.48Å; L83-L93 HydrophobicContact CD1-CD1 4.04Å; L83-L93 HydrophobicContact CD1-CG 3.7Å; G90-L93 WeakPolarHBondContact O-CB 3.37Å; G90-L93 PolarHBondContact O-N 3.36Å; G90-L93 VanDerWaalsContact O-N 3.07Å; S91-L93 PolarHBondContact O-N 3.3Å; S91-L93 VanDerWaalsContact O-N 3.15Å; L93-E95 PolarHBondContact O-N 2.89Å; L93-S96 VanDerWaalsContact O-CB 3.3Å; L93-S96 WeakPolarHBondContact O-CB 3.22Å; L93-S96 PolarHBondContact O-N 2.84Å; L93-S96 VanDerWaalsContact O-N 3.16Å; L93-S96 PolarHBondContact O-OG 3.16Å |
| 94 | K | 90.2 | Very high | 91 | Very high | 136 Ų | 136 | 53.7 Ų | 53.7 | 59% | 0.591 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -64.5 | -26.4 | 176.7 | -62.6 | 179.1 | -178.9 | 176.2 | 0 | 111.5 | S91 L92 S96 R172 | S91-K94 WeakPolarHBondContact O-CB 3.3Å; S91-K94 PolarHBondContact O-N 3.15Å; L92-K94 PolarHBondContact O-N 3.07Å; L92-K94 VanDerWaalsContact O-N 3.15Å; K94-S96 PolarHBondContact O-N 3.49Å; K94-R172 VanDerWaalsContact C-NH2 3.32Å; K94-R172 PolarHBondContact O-NH1 3.22Å; K94-R172 PolarHBondContact O-NH2 2.98Å |
| 95 | E | 93.9 | Very high | 90.6 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -74.7 | 2.2 | 176 | -58.3 | -52.2 | 117.8 | 0 | 0 | 114.8 | L92 L93 L111 R172 | L92-E95 WeakPolarHBondContact O-CA 3.4Å; L92-E95 VanDerWaalsContact O-CB 3.3Å; L92-E95 WeakPolarHBondContact O-CB 3.32Å; L92-E95 PolarHBondContact O-N 3.24Å; L93-E95 PolarHBondContact O-N 2.89Å; E95-L111 HydrophobicContact CB-CD1 4.01Å; E95-R172 VanDerWaalsContact CA-NH2 3.28Å; E95-R172 IonicContact OE1-CZ 2.86Å; E95-R172 IonicContact OE1-NE 3.74Å; E95-R172 IonicContact OE1-NH2 3.96Å; E95-R172 PolarHBondContact OE1-NH2 2.8Å; E95-R172 IonicContact OE2-CZ 3.08Å; E95-R172 VanDerWaalsContact OE2-CZ 3.28Å; E95-R172 IonicContact OE2-NE 3.82Å; E95-R172 PolarHBondContact OE2-NE 2.88Å; E95-R172 IonicContact OE2-NH2 2.84Å; E95-R172 PolarHBondContact OE2-NH2 3.35Å; E95-R172 VanDerWaalsContact OE2-NH2 3.08Å |
| 96 | S | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -62 | 139.2 | 173.4 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | L93 K94 C110 R172 | L93-S96 VanDerWaalsContact O-CB 3.3Å; L93-S96 WeakPolarHBondContact O-CB 3.22Å; L93-S96 PolarHBondContact O-N 2.84Å; L93-S96 VanDerWaalsContact O-N 3.16Å; L93-S96 PolarHBondContact O-OG 3.16Å; K94-S96 PolarHBondContact O-N 3.49Å; S96-C110 CarbonylContact C-O 3.56Å; S96-C110 VanDerWaalsContact CA-O 3.3Å; S96-C110 WeakPolarHBondContact CA-O 3.38Å; S96-R172 PolarHBondContact O-NH1 3.47Å | ||
| 97 | I | 98 | Very high | 90.9 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.2 | -179.4 | -68.4 | 149.4 | 0 | 0 | 0 | 109.3 | I99 F109 C110 L153 L154 H157 | I97-I99 PolarHBondContact O-N 2.82Å; I97-F109 CarbonylContact O-C 3.48Å; I97-F109 WeakPolarHBondContact O-CA 3.34Å; I97-C110 PolarHBondContact N-O 2.81Å; I97-C110 PolarHBondContact O-N 3.03Å; I97-L153 HydrophobicContact CG2-CB 4.19Å; I97-L153 HydrophobicContact CG2-CD1 4.2Å; I97-L154 HydrophobicContact CD1-CD2 3.66Å; I97-L154 HydrophobicContact CD1-CG 4.47Å; I97-H157 HydrophobicContact CD1-CB 4.48Å; I97-H157 WeakPolarHBondContact CD1-CD2 3.42Å |
| 98 | L | 98 | Very high | 91.5 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 121.8 | 178.4 | -179.1 | 73.4 | 0 | 0 | 0 | 110 | I32 L35 K36 A107 F109 A175 | I32-L98 HydrophobicContact CG2-CD2 4.31Å; L35-L98 HydrophobicContact CB-CD2 3.63Å; L35-L98 HydrophobicContact CD1-CD1 3.85Å; L35-L98 HydrophobicContact CD1-CD2 4.14Å; K36-L98 HydrophobicContact CG-CD2 4.25Å; L98-A107 HydrophobicContact CD1-CB 4.23Å; L98-F109 HydrophobicContact CB-CD1 4.08Å; L98-F109 HydrophobicContact CB-CE1 3.86Å; L98-F109 HydrophobicContact CD1-CD1 4.3Å; L98-F109 HydrophobicContact CD1-CE1 3.83Å; L98-F109 HydrophobicContact CD1-CE2 4.14Å; L98-F109 HydrophobicContact CD1-CZ 3.74Å; L98-F109 HydrophobicContact CG-CE1 4.46Å; L98-A175 HydrophobicContact CB-CB 4.08Å; L98-A175 WeakPolarHBondContact CB-O 3.41Å; L98-A175 HydrophobicContact CD2-CB 4.24Å; L98-A175 PolarHBondContact N-O 3.19Å |
| 99 | I | 96.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -19.9 | 178.6 | 64.3 | 173.7 | 0 | 0 | 0 | 112.8 | F52 I97 Q108 C110 L146 K149 A150 L153 | F52-I99 HydrophobicContact CD2-CD1 3.69Å; F52-I99 HydrophobicContact CE2-CD1 4.15Å; I97-I99 PolarHBondContact O-N 2.82Å; I99-Q108 HydrophobicContact CD1-CB 4.39Å; I99-Q108 HydrophobicContact CG1-CB 3.86Å; I99-Q108 VanDerWaalsContact CG1-O 3.28Å; I99-Q108 WeakPolarHBondContact CG1-O 3.43Å; I99-Q108 PolarHBondContact N-O 2.82Å; I99-C110 HydrophobicContact CD1-CB 4.46Å; I99-C110 HydrophobicContact CG2-CB 3.95Å; I99-C110 WeakPolarHBondContact CG2-SG 3.29Å; I99-L146 HydrophobicContact CD1-CD1 3.52Å; I99-L146 HydrophobicContact CD1-CG 4.02Å; I99-L146 HydrophobicContact CG1-CD1 4.06Å; I99-K149 WeakPolarHBondContact O-CD 3.41Å; I99-K149 WeakPolarHBondContact O-CE 3.37Å; I99-K149 PolarHBondContact O-NZ 3.38Å; I99-A150 HydrophobicContact CD1-CB 4.01Å; I99-A150 HydrophobicContact CG2-CB 3.97Å; I99-L153 HydrophobicContact CG2-CD1 4.12Å |
| 100 | G | 94.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | -155.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q108 | G100-Q108 PolarHBondContact N-O 3.22Å; G100-Q108 PolarHBondContact O-N 3.39Å |
| 101 | C | 93.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 154.8 | 168 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | R28 Y31 I32 H106 | R28-C101 VanDerWaalsContact CG-SG 3.59Å; Y31-C101 HydrophobicContact CD1-CB 4.17Å; Y31-C101 HydrophobicContact CE1-CB 4.29Å; I32-C101 HydrophobicContact CD1-CB 4.34Å; I32-C101 HydrophobicContact CG1-CB 4.17Å; C101-H106 CarbonylContact C-O 3.54Å; C101-H106 WeakPolarHBondContact CA-O 3.47Å; C101-H106 WeakPolarHBondContact CB-O 3.28Å |
| 102 | S | 89.2 | Confident | 93.5 | Very high | 18 Ų | 18 | 38.7 Ų | 38.7 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | trans | -68.6 | 172.3 | 173.4 | 72.6 | 0 | 0 | 0 | 0 | 112.3 | R28 Q104 N105 H106 | R28-S102 VanDerWaalsContact CD-O 3.23Å; R28-S102 WeakPolarHBondContact CD-O 3.37Å; S102-Q104 PolarHBondContact O-N 3.38Å; S102-Q104 PolarHBondContact OG-N 3.15Å; S102-Q104 PolarHBondContact OG-OE1 2.87Å; S102-N105 PolarHBondContact O-N 2.93Å; S102-H106 PolarHBondContact N-O 2.86Å; S102-H106 WeakPolarHBondContact OG-CB 3.31Å; S102-H106 PolarHBondContact OG-N 3.08Å; S102-H106 VanDerWaalsContact OG-N 3.12Å | ||
| 103 | E | 85.3 | Confident | 93.7 | Very high | 128 Ų | 128 | 36.8 Ų | 36.8 | 60% | 0.598 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.4 | 171.6 | -69 | -64.4 | 125.6 | 0 | 0 | 112.5 | R28 N105 | R28-E103 VanDerWaalsContact CZ-CD 3.44Å; R28-E103 IonicContact CZ-OE1 3.08Å; R28-E103 IonicContact CZ-OE2 3.23Å; R28-E103 VanDerWaalsContact CZ-OE2 3.23Å; R28-E103 IonicContact NE-OE1 3.74Å; R28-E103 IonicContact NH1-OE1 3.33Å; R28-E103 PolarHBondContact NH1-OE1 3.09Å; R28-E103 IonicContact NH1-OE2 2.62Å; R28-E103 PolarHBondContact NH1-OE2 3.24Å; R28-E103 IonicContact NH2-OE1 2.85Å; R28-E103 PolarHBondContact NH2-OE1 3.2Å; R28-E103 IonicContact NH2-OE2 3.27Å; R28-E103 PolarHBondContact NH2-OE2 3.08Å; E103-N105 VanDerWaalsContact C-N 3.35Å |
| 104 | Q | 84.6 | Confident | 93.6 | Very high | 137 Ų | 137 | 37.1 Ų | 37.1 | 64% | 0.64 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 13 | 177.9 | -57.7 | 77.6 | 15 | 0 | 0 | 113.8 | S102 H106 | S102-Q104 PolarHBondContact O-N 3.38Å; S102-Q104 PolarHBondContact OG-N 3.15Å; S102-Q104 PolarHBondContact OG-OE1 2.87Å; Q104-H106 VanDerWaalsContact C-N 3.3Å; Q104-H106 PolarHBondContact O-N 3.39Å |
| 105 | N | 83.4 | Confident | 93.5 | Very high | 53 Ų | 53 | 39.1 Ų | 39.1 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | trans | 62.1 | 26.5 | -176 | -62.3 | -55.6 | 0 | 0 | 0 | 115 | R28 Y31 S102 E103 A107 | R28-N105 WeakPolarHBondContact CA-OD1 3.37Å; R28-N105 WeakPolarHBondContact CG-OD1 3.42Å; Y31-N105 HydrophobicContact CD1-CB 4.19Å; Y31-N105 HydrophobicContact CE1-CB 4.42Å; Y31-N105 WeakPolarHBondContact CE1-O 3.35Å; S102-N105 PolarHBondContact O-N 2.93Å; E103-N105 VanDerWaalsContact C-N 3.35Å; N105-A107 PolarHBondContact O-N 3.1Å | ||
| 106 | H | 91 | Very high | 93.4 | Very high | 92 Ų | 92 | 35.8 Ų | 35.8 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | trans | -79.8 | 122.1 | 168.3 | -64.9 | 175.7 | 0 | 0 | 0 | 109.3 | H50 C101 S102 Q104 | H50-H106 AromaticContact NE2-ND1 3.8Å; C101-H106 CarbonylContact C-O 3.54Å; C101-H106 WeakPolarHBondContact CA-O 3.47Å; C101-H106 WeakPolarHBondContact CB-O 3.28Å; S102-H106 PolarHBondContact N-O 2.86Å; S102-H106 WeakPolarHBondContact OG-CB 3.31Å; S102-H106 PolarHBondContact OG-N 3.08Å; S102-H106 VanDerWaalsContact OG-N 3.12Å; Q104-H106 VanDerWaalsContact C-N 3.3Å; Q104-H106 PolarHBondContact O-N 3.39Å | ||
| 107 | A | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 138.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y31 L35 A45 G49 H50 L98 N105 F109 | Y31-A107 HydrophobicContact CE1-CB 4.3Å; L35-A107 HydrophobicContact CD1-CB 3.83Å; A45-A107 HydrophobicContact CB-CB 3.9Å; G49-A107 CarbonylContact C-O 3.52Å; G49-A107 WeakPolarHBondContact CA-O 3.37Å; H50-A107 PolarHBondContact N-O 3.42Å; L98-A107 HydrophobicContact CD1-CB 4.23Å; N105-A107 PolarHBondContact O-N 3.1Å; A107-F109 HydrophobicContact CB-CD2 4.31Å; A107-F109 HydrophobicContact CB-CE2 3.49Å; A107-F109 VanDerWaalsContact CB-CE2 3.49Å; A107-F109 HydrophobicContact CB-CZ 4.14Å |
| 108 | Q | 97.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.8 | -179.8 | -69.9 | 173.6 | -37.4 | 0 | 0 | 108.8 | H50 F52 I99 G100 | H50-Q108 CarbonylContact O-C 3.52Å; H50-Q108 WeakPolarHBondContact O-CA 3.45Å; F52-Q108 HydrophobicContact CE2-CB 4.11Å; F52-Q108 HydrophobicContact CE2-CG 4.13Å; I99-Q108 HydrophobicContact CD1-CB 4.39Å; I99-Q108 HydrophobicContact CG1-CB 3.86Å; I99-Q108 VanDerWaalsContact CG1-O 3.28Å; I99-Q108 WeakPolarHBondContact CG1-O 3.43Å; I99-Q108 PolarHBondContact N-O 2.82Å; G100-Q108 PolarHBondContact N-O 3.22Å; G100-Q108 PolarHBondContact O-N 3.39Å |
| 109 | F | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 158.3 | -178.2 | -64.2 | -97 | 0 | 0 | 0 | 110.9 | A45 L46 H50 I51 F52 I97 L98 A107 | A45-F109 HydrophobicContact CB-CZ 4.48Å; L46-F109 VanDerWaalsContact CA-CE2 3.47Å; L46-F109 HydrophobicContact CB-CE1 4.22Å; L46-F109 HydrophobicContact CB-CE2 4.01Å; L46-F109 HydrophobicContact CB-CZ 3.82Å; L46-F109 HydrophobicContact CD1-CB 4.14Å; L46-F109 HydrophobicContact CD1-CD1 3.89Å; L46-F109 HydrophobicContact CD1-CD2 3.71Å; L46-F109 HydrophobicContact CD1-CE1 4.19Å; L46-F109 HydrophobicContact CD1-CE2 4.02Å; L46-F109 HydrophobicContact CD1-CG 3.65Å; L46-F109 HydrophobicContact CD1-CZ 4.25Å; H50-F109 PolarHBondContact O-N 3.19Å; I51-F109 CarbonylContact C-O 3.46Å; I51-F109 WeakPolarHBondContact CA-O 3.44Å; I51-F109 HydrophobicContact CG1-CB 4.33Å; F52-F109 WeakPolarHBondContact CD2-O 3.29Å; F52-F109 PolarHBondContact N-O 3.48Å; I97-F109 CarbonylContact O-C 3.48Å; I97-F109 WeakPolarHBondContact O-CA 3.34Å; L98-F109 HydrophobicContact CB-CD1 4.08Å; L98-F109 HydrophobicContact CB-CE1 3.86Å; L98-F109 HydrophobicContact CD1-CD1 4.3Å; L98-F109 HydrophobicContact CD1-CE1 3.83Å; L98-F109 HydrophobicContact CD1-CE2 4.14Å; L98-F109 HydrophobicContact CD1-CZ 3.74Å; L98-F109 HydrophobicContact CG-CE1 4.46Å; A107-F109 HydrophobicContact CB-CD2 4.31Å; A107-F109 HydrophobicContact CB-CE2 3.49Å; A107-F109 VanDerWaalsContact CB-CE2 3.49Å; A107-F109 HydrophobicContact CB-CZ 4.14Å |
| 110 | C | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 152.4 | 165.6 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | F52 F54 S96 I97 I99 A150 L154 | F52-C110 VanDerWaalsContact O-CA 3.27Å; F52-C110 WeakPolarHBondContact O-CA 3.43Å; F54-C110 HydrophobicContact CD2-CB 4.12Å; F54-C110 HydrophobicContact CE2-CB 3.9Å; S96-C110 CarbonylContact C-O 3.56Å; S96-C110 VanDerWaalsContact CA-O 3.3Å; S96-C110 WeakPolarHBondContact CA-O 3.38Å; I97-C110 PolarHBondContact N-O 2.81Å; I97-C110 PolarHBondContact O-N 3.03Å; I99-C110 HydrophobicContact CD1-CB 4.46Å; I99-C110 HydrophobicContact CG2-CB 3.95Å; I99-C110 WeakPolarHBondContact CG2-SG 3.29Å; C110-A150 HydrophobicContact CB-CB 3.65Å; C110-L154 HydrophobicContact CB-CD1 4.16Å |
| 111 | L | 97.6 | Very high | 92 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 125.6 | 177 | 175.8 | 63.6 | 0 | 0 | 0 | 109.7 | I51 F52 L53 F54 V79 L92 E95 V113 | I51-L111 HydrophobicContact CG2-CB 4.01Å; F52-L111 PolarHBondContact O-N 3.45Å; L53-L111 CarbonylContact C-O 3.56Å; L53-L111 WeakPolarHBondContact CA-O 3.41Å; L53-L111 HydrophobicContact CD2-CB 4.11Å; L53-L111 HydrophobicContact CD2-CD2 4.16Å; L53-L111 HydrophobicContact CD2-CG 4.42Å; F54-L111 PolarHBondContact N-O 3.25Å; V79-L111 HydrophobicContact CG1-CD2 4.08Å; L92-L111 WeakPolarHBondContact O-CD1 3.32Å; E95-L111 HydrophobicContact CB-CD1 4.01Å; L111-V113 HydrophobicContact CD2-CG1 3.95Å; L111-V113 HydrophobicContact CG-CG1 3.96Å |
| 112 | D | 96.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 120.9 | 170.8 | -165.9 | -31.2 | 0 | 0 | 0 | 109.8 | F54 R56 L57 G114 L154 Q158 | F54-D112 HydrophobicContact CB-CB 4.18Å; F54-D112 CarbonylContact O-C 3.52Å; F54-D112 WeakPolarHBondContact O-CA 3.46Å; R56-D112 PolarHBondContact N-OD1 3.31Å; R56-D112 PolarHBondContact N-OD2 3.21Å; L57-D112 PolarHBondContact N-OD2 2.9Å; D112-G114 WeakPolarHBondContact OD1-CA 3.3Å; D112-G114 PolarHBondContact OD1-N 3.17Å; D112-L154 HydrophobicContact CB-CD1 4.18Å; D112-L154 HydrophobicContact CB-CD2 3.88Å; D112-Q158 PolarHBondContact OD2-NE2 3.16Å; D112-Q158 VanDerWaalsContact OD2-NE2 3.15Å |
| 113 | V | 95.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | trans | -107.1 | 28.2 | -179.4 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | L53 F54 L83 L111 E115 L116 I121 | L53-V113 HydrophobicContact CD2-CG1 4.41Å; F54-V113 WeakPolarHBondContact O-CG2 3.3Å; F54-V113 PolarHBondContact O-N 3.45Å; L83-V113 HydrophobicContact CD2-CG1 3.89Å; L111-V113 HydrophobicContact CD2-CG1 3.95Å; L111-V113 HydrophobicContact CG-CG1 3.96Å; V113-E115 PolarHBondContact O-N 3.4Å; V113-L116 HydrophobicContact CB-CD1 4.12Å; V113-L116 HydrophobicContact CB-CG 4.42Å; V113-L116 HydrophobicContact CG1-CD1 4.41Å; V113-L116 WeakPolarHBondContact O-CB 3.45Å; V113-L116 PolarHBondContact O-N 3Å; V113-I121 HydrophobicContact CB-CD1 4.12Å; V113-I121 HydrophobicContact CG2-CD1 3.35Å; V113-I121 HydrophobicContact CG2-CG1 4.41Å | ||
| 114 | G | 90.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | R56 D112 | R56-G114 PolarHBondContact NE-O 3.31Å; D112-G114 WeakPolarHBondContact OD1-CA 3.3Å; D112-G114 PolarHBondContact OD1-N 3.17Å |
| 115 | E | 88.2 | Confident | 91.9 | Very high | 178 Ų | 178 | 42.9 Ų | 42.9 | 83% | 0.832 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -16.3 | 173.7 | -59.2 | -56.3 | 144.8 | 0 | 0 | 113 | V113 | V113-E115 PolarHBondContact O-N 3.4Š|
| 116 | L | 92 | Very high | 91.9 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -90.3 | 158.1 | 179.7 | -55.4 | -176.2 | 0 | 0 | 0 | 111.4 | H55 L83 L92 V113 P118 I121 | H55-L116 PolarHBondContact NE2-O 3.06Å; L83-L116 HydrophobicContact CD2-CD1 3.52Å; L92-L116 HydrophobicContact CD1-CD1 4.02Å; L92-L116 HydrophobicContact CD1-CD2 4.27Å; L92-L116 HydrophobicContact CD1-CG 4.15Å; V113-L116 HydrophobicContact CB-CD1 4.12Å; V113-L116 HydrophobicContact CB-CG 4.42Å; V113-L116 HydrophobicContact CG1-CD1 4.41Å; V113-L116 WeakPolarHBondContact O-CB 3.45Å; V113-L116 PolarHBondContact O-N 3Å; L116-P118 WeakPolarHBondContact O-CD 3.33Å; L116-I121 HydrophobicContact CB-CD1 4.01Å |
| 117 | D | 91.4 | Very high | 92 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | trans | -63.5 | 116.3 | 172.3 | 171.2 | 24 | 0 | 0 | 0 | 110.2 | A119 A120 I121 | D117-A119 PolarHBondContact O-N 3.45Å; D117-A119 WeakPolarHBondContact OD1-CB 3.45Å; D117-A119 PolarHBondContact OD1-N 3.32Å; D117-A120 HydrophobicContact CB-CB 4.14Å; D117-A120 WeakPolarHBondContact O-CB 3.29Å; D117-A120 PolarHBondContact O-N 3.01Å; D117-A120 VanDerWaalsContact O-N 3.15Å; D117-A120 PolarHBondContact OD2-N 3.5Å; D117-I121 PolarHBondContact O-N 2.78Å | ||
| 118 | P | 92.7 | Very high | 91.9 | Very high | 48 Ų | 48 | 50 Ų | 50 | 31% | 0.312 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -32 | 179.1 | 25.3 | -33.1 | 0 | 0 | 0 | 111.8 | L116 A120 I121 L122 F129 | L116-P118 WeakPolarHBondContact O-CD 3.33Å; P118-A120 VanDerWaalsContact C-N 3.32Å; P118-A120 PolarHBondContact O-N 3.36Å; P118-I121 PolarHBondContact O-N 3.48Å; P118-L122 VanDerWaalsContact O-CG 3.27Å; P118-L122 WeakPolarHBondContact O-CG 3.46Å; P118-L122 PolarHBondContact O-N 3.39Å; P118-F129 HydrophobicContact CB-CD2 4.04Å; P118-F129 HydrophobicContact CB-CE2 3.99Å |
| 119 | A | 90.5 | Very high | 91.8 | Very high | 44 Ų | 44 | 49.8 Ų | 49.8 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D117 R123 | D117-A119 PolarHBondContact O-N 3.45Å; D117-A119 WeakPolarHBondContact OD1-CB 3.45Å; D117-A119 PolarHBondContact OD1-N 3.32Å; A119-R123 WeakPolarHBondContact O-CG 3.24Å; A119-R123 PolarHBondContact O-N 3.17Å; A119-R123 PolarHBondContact O-NH1 2.91Å |
| 120 | A | 89.2 | Confident | 91.6 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D117 P118 R123 N124 | D117-A120 HydrophobicContact CB-CB 4.14Å; D117-A120 WeakPolarHBondContact O-CB 3.29Å; D117-A120 PolarHBondContact O-N 3.01Å; D117-A120 VanDerWaalsContact O-N 3.15Å; D117-A120 PolarHBondContact OD2-N 3.5Å; P118-A120 VanDerWaalsContact C-N 3.32Å; P118-A120 PolarHBondContact O-N 3.36Å; A120-R123 VanDerWaalsContact CA-NH2 3.27Å; A120-N124 PolarHBondContact O-ND2 3.19Å |
| 121 | I | 90.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -48.5 | 177.1 | -62.9 | 154.9 | 0 | 0 | 0 | 110.3 | L53 V82 V113 L116 D117 P118 R123 N124 C125 F129 | L53-I121 HydrophobicContact CD1-CG2 4.28Å; V82-I121 HydrophobicContact CG1-CB 4.4Å; V82-I121 HydrophobicContact CG1-CG1 4.24Å; V82-I121 HydrophobicContact CG1-CG2 4.02Å; V113-I121 HydrophobicContact CB-CD1 4.12Å; V113-I121 HydrophobicContact CG2-CD1 3.35Å; V113-I121 HydrophobicContact CG2-CG1 4.41Å; L116-I121 HydrophobicContact CB-CD1 4.01Å; D117-I121 PolarHBondContact O-N 2.78Å; P118-I121 PolarHBondContact O-N 3.48Å; I121-R123 VanDerWaalsContact C-N 3.29Å; I121-R123 PolarHBondContact O-N 3.05Å; I121-N124 PolarHBondContact O-N 3.11Å; I121-C125 PolarHBondContact O-N 2.99Å; I121-F129 HydrophobicContact CB-CE2 4.36Å; I121-F129 HydrophobicContact CB-CZ 4.4Å; I121-F129 HydrophobicContact CD1-CZ 4.36Å; I121-F129 HydrophobicContact CG2-CE2 4.23Å; I121-F129 HydrophobicContact CG2-CZ 3.87Å |
| 122 | L | 91.9 | Very high | 90.9 | Very high | 55 Ų | 55 | 54 Ų | 54 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -27.9 | -178.5 | -64.6 | -179.4 | 0 | 0 | 0 | 113.5 | L60 P118 N124 C125 G127 F129 | L60-L122 HydrophobicContact CD1-CD2 3.48Å; L60-L122 VanDerWaalsContact CD1-CD2 3.48Å; P118-L122 VanDerWaalsContact O-CG 3.27Å; P118-L122 WeakPolarHBondContact O-CG 3.46Å; P118-L122 PolarHBondContact O-N 3.39Å; L122-N124 PolarHBondContact O-N 3.27Å; L122-C125 CarbonylContact C-O 3.58Å; L122-C125 CarbonylContact O-C 3.51Å; L122-C125 PolarHBondContact O-N 2.92Å; L122-G127 WeakPolarHBondContact CD2-O 3.5Å; L122-F129 HydrophobicContact CD1-CD2 4.29Å; L122-F129 HydrophobicContact CD2-CD2 3.89Å; L122-F129 HydrophobicContact CD2-CE2 3.87Å; L122-F129 HydrophobicContact CG-CD2 4.13Å; L122-F129 HydrophobicContact CG-CE2 4.07Å |
| 123 | R | 87.2 | Confident | 90.4 | Very high | 177 Ų | 177 | 59.7 Ų | 59.7 | 67% | 0.668 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.6 | -28.3 | 171.2 | -77.6 | -172.7 | -61.2 | -89.6 | 8.8 | 112.8 | A119 A120 I121 | A119-R123 WeakPolarHBondContact O-CG 3.24Å; A119-R123 PolarHBondContact O-N 3.17Å; A119-R123 PolarHBondContact O-NH1 2.91Å; A120-R123 VanDerWaalsContact CA-NH2 3.27Å; I121-R123 VanDerWaalsContact C-N 3.29Å; I121-R123 PolarHBondContact O-N 3.05Å |
| 124 | N | 86.4 | Confident | 89.9 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -99.3 | -19.4 | -178 | -68.4 | -75.2 | 0 | 0 | 0 | 113 | V82 K85 A120 I121 L122 | V82-N124 HydrophobicContact CG2-CB 3.9Å; K85-N124 WeakPolarHBondContact CD-OD1 3.33Å; K85-N124 PolarHBondContact NZ-OD1 2.9Å; A120-N124 PolarHBondContact O-ND2 3.19Å; I121-N124 PolarHBondContact O-N 3.11Å; L122-N124 PolarHBondContact O-N 3.27Å |
| 125 | C | 84.6 | Confident | 89.7 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -122.2 | 115.2 | 178.7 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | L60 I121 L122 G127 | L60-C125 HydrophobicContact CD2-CB 3.72Å; I121-C125 PolarHBondContact O-N 2.99Å; L122-C125 CarbonylContact C-O 3.58Å; L122-C125 CarbonylContact O-C 3.51Å; L122-C125 PolarHBondContact O-N 2.92Å; C125-G127 PolarHBondContact O-N 2.79Å |
| 126 | K | 84.6 | Confident | 89.4 | Confident | 204 Ų | 204 | 57.5 Ų | 57.5 | 89% | 0.887 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -67.2 | 76.8 | 179.2 | -65.5 | -178.7 | 179.8 | 179.3 | 0 | 111.7 | ||
| 127 | G | 91.7 | Very high | 88.7 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -161.3 | -165.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L61 L122 C125 | L61-G127 CarbonylContact O-C 3.5Å; L61-G127 WeakPolarHBondContact O-CA 3.28Å; L122-G127 WeakPolarHBondContact CD2-O 3.5Å; C125-G127 PolarHBondContact O-N 2.79Å |
| 128 | T | 94.5 | Very high | 88.4 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 37% | 0.368 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146.4 | 177.8 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | L61 F69 M130 | L61-T128 PolarHBondContact N-O 3.07Å; L61-T128 PolarHBondContact O-N 2.83Å; F69-T128 HydrophobicContact CE1-CG2 3.92Å; T128-M130 HydrophobicContact CG2-CE 4.32Å |
| 129 | F | 95.8 | Very high | 88 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 129.5 | 169 | -68.4 | -67.2 | 0 | 0 | 0 | 109.3 | H55 M58 P59 L60 P118 I121 L122 | H55-F129 HydrophobicContact CB-CD1 3.66Å; H55-F129 HydrophobicContact CB-CD2 3.9Å; H55-F129 HydrophobicContact CB-CE1 3.52Å; H55-F129 HydrophobicContact CB-CE2 3.79Å; H55-F129 HydrophobicContact CB-CG 3.84Å; H55-F129 HydrophobicContact CB-CZ 3.6Å; M58-F129 HydrophobicContact CB-CB 4.08Å; M58-F129 VanDerWaalsContact O-CD1 3.29Å; M58-F129 WeakPolarHBondContact O-CD1 3.42Å; P59-F129 WeakPolarHBondContact O-CA 3.44Å; L60-F129 HydrophobicContact CB-CD1 3.99Å; L60-F129 HydrophobicContact CB-CE1 3.64Å; L60-F129 HydrophobicContact CB-CZ 4.4Å; L60-F129 HydrophobicContact CD1-CD1 4.3Å; L60-F129 HydrophobicContact CD1-CE1 4.1Å; L60-F129 HydrophobicContact CD1-CZ 4.21Å; L60-F129 HydrophobicContact CG-CE1 4.36Å; P118-F129 HydrophobicContact CB-CD2 4.04Å; P118-F129 HydrophobicContact CB-CE2 3.99Å; I121-F129 HydrophobicContact CB-CE2 4.36Å; I121-F129 HydrophobicContact CB-CZ 4.4Å; I121-F129 HydrophobicContact CD1-CZ 4.36Å; I121-F129 HydrophobicContact CG2-CE2 4.23Å; I121-F129 HydrophobicContact CG2-CZ 3.87Å; L122-F129 HydrophobicContact CD1-CD2 4.29Å; L122-F129 HydrophobicContact CD2-CD2 3.89Å; L122-F129 HydrophobicContact CD2-CE2 3.87Å; L122-F129 HydrophobicContact CG-CD2 4.13Å; L122-F129 HydrophobicContact CG-CE2 4.07Å |
| 130 | M | 94 | Very high | 87.4 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | trans | -126.7 | 138.7 | -175.1 | -167.8 | 177.6 | -64.5 | 0 | 0 | 111.3 | M58 P59 L61 F69 T128 L132 K134 A135 L138 | M58-M130 WeakPolarHBondContact CB-O 3.42Å; P59-M130 WeakPolarHBondContact CD-O 3.47Å; P59-M130 PolarHBondContact O-N 2.81Å; P59-M130 VanDerWaalsContact O-N 3.15Å; L61-M130 HydrophobicContact CD1-CB 3.95Å; L61-M130 HydrophobicContact CD1-CE 4.41Å; L61-M130 HydrophobicContact CD1-SD 4.09Å; F69-M130 HydrophobicContact CD1-CE 3.77Å; F69-M130 HydrophobicContact CD2-CE 4.09Å; F69-M130 HydrophobicContact CE1-CE 3.6Å; F69-M130 HydrophobicContact CE2-CE 3.93Å; F69-M130 HydrophobicContact CG-CE 4.01Å; F69-M130 HydrophobicContact CZ-CE 3.68Å; T128-M130 HydrophobicContact CG2-CE 4.32Å; M130-L132 PolarHBondContact O-N 3.49Å; M130-K134 HydrophobicContact CG-CB 4.29Å; M130-K134 HydrophobicContact CG-CD 4.17Å; M130-K134 HydrophobicContact CG-CG 4.3Å; M130-K134 HydrophobicContact SD-CB 4.46Å; M130-K134 HydrophobicContact SD-CD 4.28Å; M130-K134 HydrophobicContact SD-CG 4.07Å; M130-A135 HydrophobicContact CG-CB 4.23Å; M130-A135 HydrophobicContact SD-CB 3.9Å; M130-L138 HydrophobicContact CE-CD1 3.92Å; M130-L138 HydrophobicContact SD-CD1 3.69Å | ||
| 131 | D | 92.8 | Very high | 86.6 | Confident | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | trans | -54.9 | 134.4 | 168.1 | 175.3 | -94.2 | 0 | 0 | 0 | 110.4 | R133 K134 A135 | D131-R133 VanDerWaalsContact C-N 3.33Å; D131-R133 PolarHBondContact O-N 2.96Å; D131-R133 WeakPolarHBondContact OD1-CA 3.31Å; D131-R133 VanDerWaalsContact OD1-CB 3.28Å; D131-R133 WeakPolarHBondContact OD1-CB 3.49Å; D131-R133 PolarHBondContact OD1-N 2.85Å; D131-K134 HydrophobicContact CB-CB 4.38Å; D131-K134 WeakPolarHBondContact O-CB 3.48Å; D131-K134 PolarHBondContact O-N 3.34Å; D131-K134 PolarHBondContact OD1-N 3.44Å; D131-A135 WeakPolarHBondContact O-CB 3.39Å; D131-A135 PolarHBondContact O-N 3.34Å | ||
| 132 | L | 88.2 | Confident | 85.9 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -34.4 | -172.6 | -172.4 | 70.9 | 0 | 0 | 0 | 112.3 | P59 M130 K134 A135 F136 V147 Q151 P260 F261 | P59-L132 HydrophobicContact CG-CD1 4.1Å; M130-L132 PolarHBondContact O-N 3.49Å; L132-K134 VanDerWaalsContact C-N 3.28Å; L132-K134 PolarHBondContact O-N 3.3Å; L132-A135 HydrophobicContact CD1-CB 4.42Å; L132-A135 PolarHBondContact O-N 2.89Å; L132-F136 HydrophobicContact CD1-CD2 3.97Å; L132-F136 HydrophobicContact CD1-CE2 3.88Å; L132-F136 HydrophobicContact CD2-CD2 4.41Å; L132-F136 HydrophobicContact CD2-CE2 3.85Å; L132-F136 HydrophobicContact CG-CD2 3.77Å; L132-F136 HydrophobicContact CG-CE2 3.68Å; L132-F136 VanDerWaalsContact O-CD2 3.28Å; L132-F136 WeakPolarHBondContact O-CD2 3.46Å; L132-F136 PolarHBondContact O-N 2.81Å; L132-V147 HydrophobicContact CD1-CB 4.34Å; L132-V147 HydrophobicContact CD1-CG1 3.42Å; L132-V147 VanDerWaalsContact CD1-CG1 3.42Å; L132-Q151 HydrophobicContact CD2-CB 3.82Å; L132-Q151 HydrophobicContact CD2-CG 3.81Å; L132-P260 HydrophobicContact CD2-CB 4.2Å; L132-P260 HydrophobicContact CD2-CG 3.96Å; L132-F261 HydrophobicContact CB-CE1 3.82Å; L132-F261 HydrophobicContact CB-CZ 3.67Å; L132-F261 HydrophobicContact CD2-CE1 3.82Å; L132-F261 HydrophobicContact CD2-CE2 4.41Å; L132-F261 HydrophobicContact CD2-CZ 3.56Å; L132-F261 HydrophobicContact CG-CE1 4.02Å; L132-F261 HydrophobicContact CG-CE2 4.47Å; L132-F261 HydrophobicContact CG-CZ 3.5Å; L132-F261 VanDerWaalsContact CG-CZ 3.5Å |
| 133 | R | 85.7 | Confident | 85.6 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 56% | 0.562 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 179.1 | -61.9 | -177.9 | -171.5 | 177.3 | 3.2 | 109.8 | D131 F137 F261 | D131-R133 VanDerWaalsContact C-N 3.33Å; D131-R133 PolarHBondContact O-N 2.96Å; D131-R133 WeakPolarHBondContact OD1-CA 3.31Å; D131-R133 VanDerWaalsContact OD1-CB 3.28Å; D131-R133 WeakPolarHBondContact OD1-CB 3.49Å; D131-R133 PolarHBondContact OD1-N 2.85Å; R133-F137 WeakPolarHBondContact O-CD2 3.43Å; R133-F261 HydrophobicContact CB-CE1 4.44Å; R133-F261 HydrophobicContact CB-CZ 4.12Å; R133-F261 HydrophobicContact CG-CD1 3.79Å; R133-F261 HydrophobicContact CG-CD2 4.25Å; R133-F261 HydrophobicContact CG-CE1 3.42Å; R133-F261 VanDerWaalsContact CG-CE1 3.42Å; R133-F261 HydrophobicContact CG-CE2 3.93Å; R133-F261 HydrophobicContact CG-CG 4.17Å; R133-F261 HydrophobicContact CG-CZ 3.49Å; R133-F261 VanDerWaalsContact CG-CZ 3.49Å |
| 134 | K | 85.4 | Confident | 85.5 | Confident | 130 Ų | 130 | 57.5 Ų | 57.5 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64 | -45.5 | 172.2 | -174.8 | 179.5 | 177.8 | -179.3 | 0 | 111.5 | M130 D131 L132 F136 F137 L138 | M130-K134 HydrophobicContact CG-CB 4.29Å; M130-K134 HydrophobicContact CG-CD 4.17Å; M130-K134 HydrophobicContact CG-CG 4.3Å; M130-K134 HydrophobicContact SD-CB 4.46Å; M130-K134 HydrophobicContact SD-CD 4.28Å; M130-K134 HydrophobicContact SD-CG 4.07Å; D131-K134 HydrophobicContact CB-CB 4.38Å; D131-K134 WeakPolarHBondContact O-CB 3.48Å; D131-K134 PolarHBondContact O-N 3.34Å; D131-K134 PolarHBondContact OD1-N 3.44Å; L132-K134 VanDerWaalsContact C-N 3.28Å; L132-K134 PolarHBondContact O-N 3.3Å; K134-F136 VanDerWaalsContact C-N 3.26Å; K134-F136 PolarHBondContact O-N 2.94Å; K134-F137 PolarHBondContact O-N 3.23Å; K134-F137 VanDerWaalsContact O-N 3.16Å; K134-L138 HydrophobicContact CG-CD1 4.22Å |
| 135 | A | 86.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -34.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L61 M130 D131 L132 F137 L138 L139 | L61-A135 HydrophobicContact CD1-CB 3.73Å; M130-A135 HydrophobicContact CG-CB 4.23Å; M130-A135 HydrophobicContact SD-CB 3.9Å; D131-A135 WeakPolarHBondContact O-CB 3.39Å; D131-A135 PolarHBondContact O-N 3.34Å; L132-A135 HydrophobicContact CD1-CB 4.42Å; L132-A135 PolarHBondContact O-N 2.89Å; A135-F137 PolarHBondContact O-N 3.45Å; A135-F137 VanDerWaalsContact O-N 3.13Å; A135-L138 CarbonylContact O-C 3.44Å; A135-L138 PolarHBondContact O-N 3.08Å; A135-L139 HydrophobicContact CB-CD1 4.01Å; A135-L139 HydrophobicContact CB-CG 4.27Å; A135-L139 WeakPolarHBondContact O-CB 3.41Å; A135-L139 VanDerWaalsContact O-CG 3.25Å; A135-L139 WeakPolarHBondContact O-CG 3.36Å; A135-L139 PolarHBondContact O-N 2.91Å |
| 136 | F | 81.7 | Confident | 85.8 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 5% | 0.053 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24 | 177.5 | -100.7 | -115.2 | 0 | 0 | 0 | 114.6 | L132 K134 A148 W259 P260 F261 | L132-F136 HydrophobicContact CD1-CD2 3.97Å; L132-F136 HydrophobicContact CD1-CE2 3.88Å; L132-F136 HydrophobicContact CD2-CD2 4.41Å; L132-F136 HydrophobicContact CD2-CE2 3.85Å; L132-F136 HydrophobicContact CG-CD2 3.77Å; L132-F136 HydrophobicContact CG-CE2 3.68Å; L132-F136 VanDerWaalsContact O-CD2 3.28Å; L132-F136 WeakPolarHBondContact O-CD2 3.46Å; L132-F136 PolarHBondContact O-N 2.81Å; K134-F136 VanDerWaalsContact C-N 3.26Å; K134-F136 PolarHBondContact O-N 2.94Å; F136-A148 HydrophobicContact CE2-CB 3.85Å; F136-A148 HydrophobicContact CZ-CB 3.55Å; F136-W259 HydrophobicContact CD1-CH2 4.2Å; F136-W259 HydrophobicContact CD1-CZ3 4.15Å; F136-W259 HydrophobicContact CE1-CE3 4.4Å; F136-W259 HydrophobicContact CE1-CH2 4.26Å; F136-W259 AromaticContact CE1-CZ3 3.82Å; F136-W259 HydrophobicContact CE1-CZ3 3.82Å; F136-P260 HydrophobicContact CE2-CG 3.89Å; F136-P260 HydrophobicContact CZ-CG 3.56Å; F136-F261 HydrophobicContact CD2-CE2 4.09Å; F136-F261 HydrophobicContact CD2-CZ 4.24Å; F136-F261 HydrophobicContact CE2-CE2 4.08Å; F136-F261 HydrophobicContact CE2-CZ 4.3Å; F136-F261 HydrophobicContact CG-CE2 4.36Å; F136-F261 HydrophobicContact CZ-CE2 4.35Å |
| 137 | F | 78.4 | Confident | 86.2 | Confident | 109 Ų | 109 | 50.2 Ų | 50.2 | 48% | 0.478 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -16.5 | 174.1 | -68.6 | -85.8 | 0 | 0 | 0 | 113.2 | R133 K134 A135 W318 P321 | R133-F137 WeakPolarHBondContact O-CD2 3.43Å; K134-F137 PolarHBondContact O-N 3.23Å; K134-F137 VanDerWaalsContact O-N 3.16Å; A135-F137 PolarHBondContact O-N 3.45Å; A135-F137 VanDerWaalsContact O-N 3.13Å; F137-W318 HydrophobicContact CE1-CZ3 4.11Å; F137-W318 HydrophobicContact CZ-CZ3 4.33Å; F137-P321 HydrophobicContact CD1-CB 3.73Å; F137-P321 HydrophobicContact CD1-CG 4.03Å; F137-P321 HydrophobicContact CE1-CB 3.66Å; F137-P321 HydrophobicContact CE1-CG 3.59Å; F137-P321 HydrophobicContact CZ-CB 4.49Å; F137-P321 HydrophobicContact CZ-CG 3.94Å |
| 138 | L | 84 | Confident | 86.2 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -14.3 | -169.1 | -59.7 | 176.4 | 0 | 0 | 0 | 113.5 | E67 T68 F69 M130 K134 A135 | E67-L138 WeakPolarHBondContact O-CD2 3.5Å; T68-L138 WeakPolarHBondContact CA-O 3.34Å; F69-L138 HydrophobicContact CD2-CB 3.84Å; F69-L138 HydrophobicContact CD2-CD1 4.1Å; F69-L138 HydrophobicContact CD2-CG 4.49Å; F69-L138 HydrophobicContact CE2-CD1 4.05Å; F69-L138 PolarHBondContact N-O 3.44Å; M130-L138 HydrophobicContact CE-CD1 3.92Å; M130-L138 HydrophobicContact SD-CD1 3.69Å; K134-L138 HydrophobicContact CG-CD1 4.22Å; A135-L138 CarbonylContact O-C 3.44Å; A135-L138 PolarHBondContact O-N 3.08Å |
| 139 | L | 85 | Confident | 86.1 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 146.4 | 177.3 | -75.1 | 171.4 | 0 | 0 | 0 | 111.4 | L61 F69 A135 E143 A144 V147 | L61-L139 HydrophobicContact CD1-CD2 4.06Å; L61-L139 HydrophobicContact CD1-CG 4.47Å; L61-L139 HydrophobicContact CD2-CD2 3.89Å; F69-L139 WeakPolarHBondContact O-CD2 3.44Å; A135-L139 HydrophobicContact CB-CD1 4.01Å; A135-L139 HydrophobicContact CB-CG 4.27Å; A135-L139 WeakPolarHBondContact O-CB 3.41Å; A135-L139 VanDerWaalsContact O-CG 3.25Å; A135-L139 WeakPolarHBondContact O-CG 3.36Å; A135-L139 PolarHBondContact O-N 2.91Å; L139-E143 HydrophobicContact CD2-CB 4.48Å; L139-A144 HydrophobicContact CB-CB 4.1Å; L139-A144 HydrophobicContact CD1-CB 4.29Å; L139-V147 HydrophobicContact CD1-CB 4.22Å; L139-V147 HydrophobicContact CD1-CG1 4.45Å; L139-V147 HydrophobicContact CD1-CG2 4.25Å |
| 140 | E | 76.8 | Confident | 86.1 | Confident | 100 Ų | 100 | 49 Ų | 49 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | trans | -74.3 | 156.5 | 170.1 | -66.6 | -178.7 | -168.4 | 0 | 0 | 111.8 | A142 E143 A144 | E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 3.37Å; E140-A142 VanDerWaalsContact O-N 3.16Å; E140-E143 PolarHBondContact O-N 3.33Å; E140-A144 PolarHBondContact O-N 3.29Å | ||
| 141 | G | 73.1 | Confident | 86.1 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | P145 H323 | G141-P145 WeakPolarHBondContact O-CD 3.31Å; G141-H323 WeakPolarHBondContact CA-CE1 3.42Å |
| 142 | A | 76.1 | Confident | 86.3 | Confident | 92 Ų | 92 | 45.7 Ų | 45.7 | 76% | 0.76 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -20.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | E140 | E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 3.37Å; E140-A142 VanDerWaalsContact O-N 3.16Å |
| 143 | E | 84.9 | Confident | 86.6 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -93.5 | -32.4 | -171.5 | -58.4 | -178.3 | 145 | 0 | 0 | 111.9 | R70 P71 L139 E140 L146 V147 | R70-E143 WeakPolarHBondContact CA-OE2 3.39Å; R70-E143 VanDerWaalsContact CB-OE1 3.24Å; R70-E143 WeakPolarHBondContact CB-OE1 3.18Å; R70-E143 WeakPolarHBondContact CB-OE2 3.38Å; P71-E143 VanDerWaalsContact CD-OE2 3.25Å; P71-E143 WeakPolarHBondContact CD-OE2 3.31Å; P71-E143 HydrophobicContact CG-CB 4.18Å; P71-E143 HydrophobicContact CG-CG 4.4Å; L139-E143 HydrophobicContact CD2-CB 4.48Å; E140-E143 PolarHBondContact O-N 3.33Å; E143-L146 WeakPolarHBondContact O-CB 3.32Å; E143-L146 PolarHBondContact O-N 3.48Å; E143-L146 VanDerWaalsContact O-N 3.17Å; E143-V147 WeakPolarHBondContact O-CG2 3.39Å; E143-V147 PolarHBondContact O-N 3.3Å |
| 144 | A | 85.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.2 | -48.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L139 E140 L146 V147 A148 | L139-A144 HydrophobicContact CB-CB 4.1Å; L139-A144 HydrophobicContact CD1-CB 4.29Å; E140-A144 PolarHBondContact O-N 3.29Å; A144-L146 VanDerWaalsContact C-N 3.32Å; A144-L146 PolarHBondContact O-N 3.09Å; A144-V147 PolarHBondContact O-N 3.44Å; A144-A148 WeakPolarHBondContact O-CB 3.26Å; A144-A148 PolarHBondContact O-N 3.07Å |
| 145 | P | 87.1 | Confident | 87.6 | Confident | 81 Ų | 81 | 37.5 Ų | 37.5 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.1 | -35.4 | 177.2 | -22.5 | 34.5 | 0 | 0 | 0 | 113.5 | G141 K149 | G141-P145 WeakPolarHBondContact O-CD 3.31Å; P145-K149 VanDerWaalsContact O-CB 3.32Å; P145-K149 WeakPolarHBondContact O-CB 3.35Å; P145-K149 PolarHBondContact O-N 3.38Å |
| 146 | L | 90.3 | Very high | 88 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -50.9 | 178.9 | -179.8 | 69.4 | 0 | 0 | 0 | 111 | F52 I99 E143 A144 K149 A150 | F52-L146 HydrophobicContact CD2-CD2 4.48Å; F52-L146 HydrophobicContact CE1-CD2 4.23Å; F52-L146 HydrophobicContact CE2-CD2 3.78Å; F52-L146 HydrophobicContact CZ-CD2 3.62Å; I99-L146 HydrophobicContact CD1-CD1 3.52Å; I99-L146 HydrophobicContact CD1-CG 4.02Å; I99-L146 HydrophobicContact CG1-CD1 4.06Å; E143-L146 WeakPolarHBondContact O-CB 3.32Å; E143-L146 PolarHBondContact O-N 3.48Å; E143-L146 VanDerWaalsContact O-N 3.17Å; A144-L146 VanDerWaalsContact C-N 3.32Å; A144-L146 PolarHBondContact O-N 3.09Å; L146-K149 PolarHBondContact O-N 3.25Å; L146-A150 WeakPolarHBondContact O-CB 3.22Å; L146-A150 PolarHBondContact O-N 3.27Å |
| 147 | V | 92.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 179.9 | -179.9 | 0 | 0 | 0 | 0 | 111 | F54 P59 P71 L132 L139 E143 A144 A150 Q151 | F54-V147 HydrophobicContact CE1-CG1 4.09Å; F54-V147 HydrophobicContact CZ-CG1 3.9Å; P59-V147 HydrophobicContact CB-CG1 3.53Å; P59-V147 HydrophobicContact CG-CG1 3.61Å; P71-V147 HydrophobicContact CB-CG2 3.87Å; P71-V147 HydrophobicContact CG-CG2 3.98Å; L132-V147 HydrophobicContact CD1-CB 4.34Å; L132-V147 HydrophobicContact CD1-CG1 3.42Å; L132-V147 VanDerWaalsContact CD1-CG1 3.42Å; L139-V147 HydrophobicContact CD1-CB 4.22Å; L139-V147 HydrophobicContact CD1-CG1 4.45Å; L139-V147 HydrophobicContact CD1-CG2 4.25Å; E143-V147 WeakPolarHBondContact O-CG2 3.39Å; E143-V147 PolarHBondContact O-N 3.3Å; A144-V147 PolarHBondContact O-N 3.44Å; V147-A150 PolarHBondContact O-N 3.13Å; V147-Q151 WeakPolarHBondContact O-CB 3.33Å; V147-Q151 PolarHBondContact O-N 3.31Å |
| 148 | A | 91.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.7 | -49 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F136 A144 Q151 A152 P260 | F136-A148 HydrophobicContact CE2-CB 3.85Å; F136-A148 HydrophobicContact CZ-CB 3.55Å; A144-A148 WeakPolarHBondContact O-CB 3.26Å; A144-A148 PolarHBondContact O-N 3.07Å; A148-Q151 PolarHBondContact O-N 3.46Å; A148-A152 WeakPolarHBondContact O-CB 3.29Å; A148-A152 PolarHBondContact O-N 2.91Å; A148-P260 HydrophobicContact CB-CB 4.11Å; A148-P260 HydrophobicContact CB-CG 3.79Å |
| 149 | K | 93.3 | Very high | 89.8 | Confident | 91 Ų | 91 | 39.8 Ų | 39.8 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.9 | -179 | 179.5 | -175.9 | 179.6 | 0 | 111.7 | I99 P145 L146 A152 L153 | I99-K149 WeakPolarHBondContact O-CD 3.41Å; I99-K149 WeakPolarHBondContact O-CE 3.37Å; I99-K149 PolarHBondContact O-NZ 3.38Å; P145-K149 VanDerWaalsContact O-CB 3.32Å; P145-K149 WeakPolarHBondContact O-CB 3.35Å; P145-K149 PolarHBondContact O-N 3.38Å; L146-K149 PolarHBondContact O-N 3.25Å; K149-A152 PolarHBondContact O-N 3.23Å; K149-L153 HydrophobicContact CG-CD1 4.1Å; K149-L153 WeakPolarHBondContact O-CG 3.34Å; K149-L153 PolarHBondContact O-N 3.01Å |
| 150 | A | 95.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F54 I99 C110 L146 V147 A152 L153 L154 | F54-A150 HydrophobicContact CE2-CB 3.6Å; F54-A150 HydrophobicContact CZ-CB 3.49Å; F54-A150 VanDerWaalsContact CZ-CB 3.49Å; I99-A150 HydrophobicContact CD1-CB 4.01Å; I99-A150 HydrophobicContact CG2-CB 3.97Å; C110-A150 HydrophobicContact CB-CB 3.65Å; L146-A150 WeakPolarHBondContact O-CB 3.22Å; L146-A150 PolarHBondContact O-N 3.27Å; V147-A150 PolarHBondContact O-N 3.13Å; A150-A152 PolarHBondContact O-N 2.65Å; A150-L153 PolarHBondContact O-N 2.98Å; A150-L154 WeakPolarHBondContact O-CB 3.36Å; A150-L154 VanDerWaalsContact O-CG 3.25Å; A150-L154 WeakPolarHBondContact O-CG 3.16Å; A150-L154 PolarHBondContact O-N 3.48Å |
| 151 | Q | 95.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 178.9 | -167.1 | -104.6 | 157.5 | 0 | 0 | 112.1 | F54 L57 L132 V147 A148 L154 R155 | F54-Q151 HydrophobicContact CE1-CB 3.87Å; F54-Q151 HydrophobicContact CE1-CG 4.37Å; L57-Q151 HydrophobicContact CB-CG 4Å; L57-Q151 VanDerWaalsContact O-CG 3.3Å; L57-Q151 WeakPolarHBondContact O-CG 3.29Å; L132-Q151 HydrophobicContact CD2-CB 3.82Å; L132-Q151 HydrophobicContact CD2-CG 3.81Å; V147-Q151 WeakPolarHBondContact O-CB 3.33Å; V147-Q151 PolarHBondContact O-N 3.31Å; A148-Q151 PolarHBondContact O-N 3.46Å; Q151-L154 PolarHBondContact O-N 3.03Å; Q151-R155 VanDerWaalsContact O-CB 3.28Å; Q151-R155 WeakPolarHBondContact O-CB 3.3Å; Q151-R155 PolarHBondContact O-N 3.39Å |
| 152 | A | 95 | Very high | 92.4 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A148 K149 A150 W156 | A148-A152 WeakPolarHBondContact O-CB 3.29Å; A148-A152 PolarHBondContact O-N 2.91Å; K149-A152 PolarHBondContact O-N 3.23Å; A150-A152 PolarHBondContact O-N 2.65Å; A152-W156 WeakPolarHBondContact O-CB 3.48Å; A152-W156 PolarHBondContact O-N 2.85Å |
| 153 | L | 95.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 175.9 | -73.3 | 170.6 | 0 | 0 | 0 | 111.8 | I97 I99 K149 A150 R155 W156 H157 P190 | I97-L153 HydrophobicContact CG2-CB 4.19Å; I97-L153 HydrophobicContact CG2-CD1 4.2Å; I99-L153 HydrophobicContact CG2-CD1 4.12Å; K149-L153 HydrophobicContact CG-CD1 4.1Å; K149-L153 WeakPolarHBondContact O-CG 3.34Å; K149-L153 PolarHBondContact O-N 3.01Å; A150-L153 PolarHBondContact O-N 2.98Å; L153-R155 PolarHBondContact O-N 3.17Å; L153-W156 PolarHBondContact O-N 3.4Å; L153-H157 PolarHBondContact O-CD2 3.46Å; L153-H157 VanDerWaalsContact O-CD2 3.24Å; L153-H157 PolarHBondContact O-N 2.86Å; L153-P190 HydrophobicContact CD2-CB 3.98Å; L153-P190 HydrophobicContact CD2-CG 3.66Å |
| 154 | L | 95.9 | Very high | 94 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 175.7 | -71.4 | 166.8 | 0 | 0 | 0 | 111.4 | F54 L57 I97 C110 D112 A150 Q151 W156 H157 Q158 | F54-L154 HydrophobicContact CB-CD1 3.79Å; F54-L154 HydrophobicContact CD1-CD1 3.99Å; F54-L154 HydrophobicContact CD2-CD1 3.54Å; F54-L154 HydrophobicContact CE1-CD1 4.5Å; F54-L154 HydrophobicContact CE2-CD1 4.12Å; F54-L154 HydrophobicContact CG-CD1 3.48Å; F54-L154 VanDerWaalsContact CG-CD1 3.48Å; L57-L154 HydrophobicContact CD2-CB 3.59Å; I97-L154 HydrophobicContact CD1-CD2 3.66Å; I97-L154 HydrophobicContact CD1-CG 4.47Å; C110-L154 HydrophobicContact CB-CD1 4.16Å; D112-L154 HydrophobicContact CB-CD1 4.18Å; D112-L154 HydrophobicContact CB-CD2 3.88Å; A150-L154 WeakPolarHBondContact O-CB 3.36Å; A150-L154 VanDerWaalsContact O-CG 3.25Å; A150-L154 WeakPolarHBondContact O-CG 3.16Å; A150-L154 PolarHBondContact O-N 3.48Å; Q151-L154 PolarHBondContact O-N 3.03Å; L154-W156 VanDerWaalsContact C-N 3.35Å; L154-W156 PolarHBondContact O-N 2.9Å; L154-H157 PolarHBondContact O-N 3.19Å; L154-Q158 WeakPolarHBondContact O-CG 3.37Å; L154-Q158 PolarHBondContact O-N 3.23Å |
| 155 | R | 95.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 28% | 0.275 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 175.8 | -179.1 | 177.2 | -69.5 | -92.2 | -3.9 | 111.5 | L57 Q151 L153 H157 Q158 I159 | L57-R155 HydrophobicContact CD1-CB 3.88Å; L57-R155 HydrophobicContact CD1-CG 4.12Å; L57-R155 VanDerWaalsContact CD1-NH2 3.29Å; L57-R155 HydrophobicContact CD2-CB 4.17Å; Q151-R155 VanDerWaalsContact O-CB 3.28Å; Q151-R155 WeakPolarHBondContact O-CB 3.3Å; Q151-R155 PolarHBondContact O-N 3.39Å; L153-R155 PolarHBondContact O-N 3.17Å; R155-H157 VanDerWaalsContact C-N 3.31Å; R155-H157 PolarHBondContact O-N 2.94Å; R155-Q158 WeakPolarHBondContact O-CB 3.21Å; R155-Q158 PolarHBondContact O-N 3.32Å; R155-Q158 VanDerWaalsContact O-N 3.1Å; R155-I159 WeakPolarHBondContact O-CG1 3.25Å; R155-I159 PolarHBondContact O-N 3.13Å; R155-I159 VanDerWaalsContact O-N 3.08Å |
| 156 | W | 95.7 | Very high | 95 | Very high | 21 Ų | 21 | 47 Ų | 47 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 177.6 | 176.4 | 78.9 | 0 | 0 | 0 | 111.6 | A152 L153 L154 Q158 I159 N160 R179 Y188 P190 | A152-W156 WeakPolarHBondContact O-CB 3.48Å; A152-W156 PolarHBondContact O-N 2.85Å; L153-W156 PolarHBondContact O-N 3.4Å; L154-W156 VanDerWaalsContact C-N 3.35Å; L154-W156 PolarHBondContact O-N 2.9Å; W156-Q158 VanDerWaalsContact C-N 3.35Å; W156-Q158 PolarHBondContact O-N 3.44Å; W156-I159 PolarHBondContact O-N 3.3Å; W156-N160 PolarHBondContact NE1-ND2 2.99Å; W156-N160 VanDerWaalsContact O-CB 3.31Å; W156-N160 WeakPolarHBondContact O-CB 3.44Å; W156-N160 PolarHBondContact O-N 3.15Å; W156-N160 PolarHBondContact O-ND2 2.93Å; W156-R179 HydrophobicContact CH2-CB 3.99Å; W156-R179 HydrophobicContact CH2-CG 3.51Å; W156-R179 HydrophobicContact CZ2-CG 4.37Å; W156-R179 HydrophobicContact CZ3-CG 3.75Å; W156-Y188 WeakPolarHBondContact CH2-O 3.15Å; W156-P190 HydrophobicContact CD2-CB 4.13Å; W156-P190 HydrophobicContact CD2-CG 3.92Å; W156-P190 HydrophobicContact CE3-CB 4.45Å; W156-P190 HydrophobicContact CE3-CG 3.78Å; W156-P190 HydrophobicContact CG-CB 4.27Å; W156-P190 HydrophobicContact CH2-CG 4.15Å; W156-P190 HydrophobicContact CZ2-CG 4.33Å; W156-P190 HydrophobicContact CZ3-CG 3.87Å |
| 157 | H | 95.6 | Very high | 95.3 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65 | -35.2 | 175.7 | -80.1 | -77.6 | 0 | 0 | 0 | 113.2 | I97 L153 L154 R155 R161 G176 R179 | I97-H157 HydrophobicContact CD1-CB 4.48Å; I97-H157 WeakPolarHBondContact CD1-CD2 3.42Å; L153-H157 PolarHBondContact O-CD2 3.46Å; L153-H157 VanDerWaalsContact O-CD2 3.24Å; L153-H157 PolarHBondContact O-N 2.86Å; L154-H157 PolarHBondContact O-N 3.19Å; R155-H157 VanDerWaalsContact C-N 3.31Å; R155-H157 PolarHBondContact O-N 2.94Å; H157-R161 VanDerWaalsContact O-CG 3.3Å; H157-R161 WeakPolarHBondContact O-CG 3.47Å; H157-G176 PolarHBondContact NE2-O 2.91Å; H157-R179 PolarHBondContact ND1-NH1 2.91Å; H157-R179 VanDerWaalsContact ND1-NH1 3.19Å |
| 158 | Q | 93.3 | Very high | 95.5 | Very high | 67 Ų | 67 | 53.2 Ų | 53.2 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 177.7 | -74.8 | 176.2 | -4.7 | 0 | 0 | 112.6 | D112 L154 R155 W156 R161 | D112-Q158 PolarHBondContact OD2-NE2 3.16Å; D112-Q158 VanDerWaalsContact OD2-NE2 3.15Å; L154-Q158 WeakPolarHBondContact O-CG 3.37Å; L154-Q158 PolarHBondContact O-N 3.23Å; R155-Q158 WeakPolarHBondContact O-CB 3.21Å; R155-Q158 PolarHBondContact O-N 3.32Å; R155-Q158 VanDerWaalsContact O-N 3.1Å; W156-Q158 VanDerWaalsContact C-N 3.35Å; W156-Q158 PolarHBondContact O-N 3.44Å; Q158-R161 PolarHBondContact O-NE 3.35Å |
| 159 | I | 93.8 | Very high | 95.8 | Very high | 110 Ų | 110 | 58.2 Ų | 58.2 | 56% | 0.564 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -96.9 | -10.7 | -175.6 | 74.3 | -175.2 | 0 | 0 | 0 | 114.2 | R155 W156 | R155-I159 WeakPolarHBondContact O-CG1 3.25Å; R155-I159 PolarHBondContact O-N 3.13Å; R155-I159 VanDerWaalsContact O-N 3.08Å; W156-I159 PolarHBondContact O-N 3.3Å |
| 160 | N | 95.4 | Very high | 96 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | trans | -112.4 | 33.6 | 178.8 | -67.6 | -94 | 0 | 0 | 0 | 113 | W156 F162 T170 R179 | W156-N160 PolarHBondContact NE1-ND2 2.99Å; W156-N160 VanDerWaalsContact O-CB 3.31Å; W156-N160 WeakPolarHBondContact O-CB 3.44Å; W156-N160 PolarHBondContact O-N 3.15Å; W156-N160 PolarHBondContact O-ND2 2.93Å; N160-F162 VanDerWaalsContact C-N 3.28Å; N160-F162 PolarHBondContact O-N 3.02Å; N160-T170 PolarHBondContact O-OG1 2.93Å; N160-T170 VanDerWaalsContact O-OG1 3.11Å; N160-R179 WeakPolarHBondContact O-CD 3.49Å; N160-R179 PolarHBondContact O-NE 2.84Å | ||
| 161 | R | 95.9 | Very high | 96.1 | Very high | 136 Ų | 136 | 60.7 Ų | 60.7 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -67.2 | -27 | -178.8 | -71.4 | -173.2 | -109.2 | -171.9 | -4.6 | 113.8 | H157 Q158 T170 | H157-R161 VanDerWaalsContact O-CG 3.3Å; H157-R161 WeakPolarHBondContact O-CG 3.47Å; Q158-R161 PolarHBondContact O-NE 3.35Å; R161-T170 PolarHBondContact O-N 3.46Å; R161-T170 PolarHBondContact O-OG1 3.23Å; R161-T170 VanDerWaalsContact O-OG1 3.05Å |
| 162 | F | 97.6 | Very high | 96.1 | Very high | 126 Ų | 126 | 62.8 Ų | 62.8 | 55% | 0.553 | 34% | 0.341 | S | S | * | . | B | Isolated β-bridge | trans | -115.8 | 151.5 | -177 | -60.3 | -87.2 | 0 | 0 | 0 | 111.4 | N160 G167 Q168 L169 | N160-F162 VanDerWaalsContact C-N 3.28Å; N160-F162 PolarHBondContact O-N 3.02Å; F162-G167 VanDerWaalsContact CD1-O 3.31Å; F162-G167 WeakPolarHBondContact CD1-O 3.21Å; F162-Q168 CarbonylContact C-O 3.55Å; F162-Q168 WeakPolarHBondContact CA-O 3.41Å; F162-L169 HydrophobicContact CD1-CD2 3.81Å; F162-L169 HydrophobicContact CD1-CG 4.18Å; F162-L169 HydrophobicContact CE1-CD2 3.39Å; F162-L169 HydrophobicContact CE1-CG 3.82Å; F162-L169 HydrophobicContact CE2-CD2 4.41Å; F162-L169 HydrophobicContact CG-CD2 4.5Å; F162-L169 HydrophobicContact CZ-CD2 3.73Å |
| 163 | C | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | trans | -76.7 | 122.2 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 109.7 | A165 T166 G167 Q168 T170 C181 Y188 | C163-A165 PolarHBondContact O-N 2.92Å; C163-A165 VanDerWaalsContact O-N 3.16Å; C163-A165 PolarHBondContact SG-N 3.48Å; C163-T166 VanDerWaalsContact CB-OG1 3.29Å; C163-T166 WeakPolarHBondContact CB-OG1 3.44Å; C163-T166 PolarHBondContact O-N 2.9Å; C163-T166 PolarHBondContact SG-OG1 3.47Å; C163-G167 WeakPolarHBondContact O-CA 3.3Å; C163-G167 PolarHBondContact O-N 2.98Å; C163-Q168 WeakPolarHBondContact CB-O 3.28Å; C163-Q168 PolarHBondContact N-O 3.01Å; C163-T170 HydrophobicContact CB-CG2 3.87Å; C163-C181 HydrophobicContact CB-CB 3.84Å; C163-C181 VanDerWaalsContact CB-SG 3.59Å; C163-Y188 HydrophobicContact CB-CE2 4.34Å; C163-Y188 PolarHBondContact SG-OH 3.44Å | ||
| 164 | G | 96 | Very high | 96.2 | Very high | 79 Ų | 79 | 63.4 Ų | 63.4 | 81% | 0.814 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y188 | G164-Y188 PolarHBondContact N-OH 3.26Š|
| 165 | A | 96.9 | Very high | 96.3 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -28.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C163 I186 | C163-A165 PolarHBondContact O-N 2.92Å; C163-A165 VanDerWaalsContact O-N 3.16Å; C163-A165 PolarHBondContact SG-N 3.48Å; A165-I186 HydrophobicContact CB-CD1 3.7Å |
| 166 | T | 97.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -13.3 | -169.7 | 63.3 | 0 | 0 | 0 | 0 | 114.4 | C163 Q168 | C163-T166 VanDerWaalsContact CB-OG1 3.29Å; C163-T166 WeakPolarHBondContact CB-OG1 3.44Å; C163-T166 PolarHBondContact O-N 2.9Å; C163-T166 PolarHBondContact SG-OG1 3.47Å; T166-Q168 PolarHBondContact O-N 3.24Å; T166-Q168 PolarHBondContact OG1-N 3.38Å |
| 167 | G | 96.9 | Very high | 96.4 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | trans | 71.7 | -3.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F162 C163 | F162-G167 VanDerWaalsContact CD1-O 3.31Å; F162-G167 WeakPolarHBondContact CD1-O 3.21Å; C163-G167 WeakPolarHBondContact O-CA 3.3Å; C163-G167 PolarHBondContact O-N 2.98Å | ||
| 168 | Q | 97.3 | Very high | 96.4 | Very high | 117 Ų | 117 | 61.9 Ų | 61.9 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 155.7 | -178.9 | -66.8 | -66.3 | -33.3 | 0 | 0 | 112.4 | F162 C163 T166 T170 | F162-Q168 CarbonylContact C-O 3.55Å; F162-Q168 WeakPolarHBondContact CA-O 3.41Å; C163-Q168 WeakPolarHBondContact CB-O 3.28Å; C163-Q168 PolarHBondContact N-O 3.01Å; T166-Q168 PolarHBondContact O-N 3.24Å; T166-Q168 PolarHBondContact OG1-N 3.38Å; Q168-T170 PolarHBondContact O-N 2.97Å |
| 169 | L | 97.4 | Very high | 96.6 | Very high | 108 Ų | 108 | 59.8 Ų | 59.8 | 57% | 0.565 | 33% | 0.331 | S | S | * | . | B | Isolated β-bridge | trans | -60.8 | 136.5 | 173.4 | -76.3 | 170.3 | 0 | 0 | 0 | 111 | F162 | F162-L169 HydrophobicContact CD1-CD2 3.81Å; F162-L169 HydrophobicContact CD1-CG 4.18Å; F162-L169 HydrophobicContact CE1-CD2 3.39Å; F162-L169 HydrophobicContact CE1-CG 3.82Å; F162-L169 HydrophobicContact CE2-CD2 4.41Å; F162-L169 HydrophobicContact CG-CD2 4.5Å; F162-L169 HydrophobicContact CZ-CD2 3.73Å |
| 170 | T | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 153.1 | 170.7 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | N160 R161 C163 Q168 R179 A180 C181 Y188 | N160-T170 PolarHBondContact O-OG1 2.93Å; N160-T170 VanDerWaalsContact O-OG1 3.11Å; R161-T170 PolarHBondContact O-N 3.46Å; R161-T170 PolarHBondContact O-OG1 3.23Å; R161-T170 VanDerWaalsContact O-OG1 3.05Å; C163-T170 HydrophobicContact CB-CG2 3.87Å; Q168-T170 PolarHBondContact O-N 2.97Å; T170-R179 PolarHBondContact O-NH2 3.37Å; T170-R179 PolarHBondContact OG1-NE 2.95Å; T170-R179 PolarHBondContact OG1-NH2 2.85Å; T170-A180 CarbonylContact C-O 3.59Å; T170-A180 VanDerWaalsContact CA-O 3.31Å; T170-A180 WeakPolarHBondContact CA-O 3.36Å; T170-A180 WeakPolarHBondContact CB-O 3.29Å; T170-C181 HydrophobicContact CG2-CB 4.19Å; T170-Y188 HydrophobicContact CG2-CD2 4.15Å; T170-Y188 HydrophobicContact CG2-CE2 4.04Å |
| 171 | Q | 96 | Very high | 96.9 | Very high | 137 Ų | 137 | 54 Ų | 54 | 64% | 0.64 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.4 | 178.6 | -65.1 | 178.3 | -8.2 | 0 | 0 | 109.9 | R179 A180 | Q171-R179 CarbonylContact O-C 3.56Å; Q171-R179 VanDerWaalsContact O-CA 3.24Å; Q171-R179 WeakPolarHBondContact O-CA 3.37Å; Q171-A180 PolarHBondContact N-O 2.99Å; Q171-A180 PolarHBondContact O-N 3.15Å |
| 172 | R | 96 | Very high | 96.8 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 18% | 0.181 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 153.6 | 173.5 | 65.6 | -177.5 | -179.1 | 81.1 | 34.1 | 110.8 | K94 E95 S96 Q178 R179 | K94-R172 VanDerWaalsContact C-NH2 3.32Å; K94-R172 PolarHBondContact O-NH1 3.22Å; K94-R172 PolarHBondContact O-NH2 2.98Å; E95-R172 VanDerWaalsContact CA-NH2 3.28Å; E95-R172 IonicContact OE1-CZ 2.86Å; E95-R172 IonicContact OE1-NE 3.74Å; E95-R172 IonicContact OE1-NH2 3.96Å; E95-R172 PolarHBondContact OE1-NH2 2.8Å; E95-R172 IonicContact OE2-CZ 3.08Å; E95-R172 VanDerWaalsContact OE2-CZ 3.28Å; E95-R172 IonicContact OE2-NE 3.82Å; E95-R172 PolarHBondContact OE2-NE 2.88Å; E95-R172 IonicContact OE2-NH2 2.84Å; E95-R172 PolarHBondContact OE2-NH2 3.35Å; E95-R172 VanDerWaalsContact OE2-NH2 3.08Å; S96-R172 PolarHBondContact O-NH1 3.47Å; R172-Q178 VanDerWaalsContact CA-O 3.29Å; R172-Q178 WeakPolarHBondContact CA-O 3.3Å; R172-R179 HydrophobicContact CB-CG 4.11Å |
| 173 | N | 95.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | trans | -74 | 170.1 | 162.5 | 70 | -30.9 | 0 | 0 | 0 | 110.7 | K36 A175 G176 S177 Q178 | K36-N173 PolarHBondContact O-ND2 2.76Å; N173-A175 PolarHBondContact O-N 3.45Å; N173-G176 PolarHBondContact O-N 2.73Å; N173-G176 PolarHBondContact OD1-N 3.49Å; N173-G176 VanDerWaalsContact OD1-N 3.15Å; N173-S177 PolarHBondContact ND2-OG 2.76Å; N173-S177 PolarHBondContact OD1-N 2.84Å; N173-S177 PolarHBondContact OD1-OG 2.75Å; N173-Q178 HydrophobicContact CB-CG 4.23Å; N173-Q178 PolarHBondContact N-O 3.47Å; N173-Q178 PolarHBondContact OD1-N 2.88Å; N173-Q178 PolarHBondContact OD1-O 3.32Å | ||
| 174 | Q | 96.4 | Very high | 96.7 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 16% | 0.159 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34.7 | -176 | -174.7 | 56.2 | 40.8 | 0 | 0 | 112.4 | D39 C42 L43 G176 | D39-Q174 HydrophobicContact CB-CB 3.73Å; D39-Q174 WeakPolarHBondContact OD1-CB 3.28Å; D39-Q174 PolarHBondContact OD1-N 3.19Å; C42-Q174 HydrophobicContact CB-CB 4.11Å; C42-Q174 HydrophobicContact CB-CG 3.81Å; L43-Q174 HydrophobicContact CB-CG 4.38Å; Q174-G176 VanDerWaalsContact C-N 3.31Å; Q174-G176 PolarHBondContact O-N 3.15Å |
| 175 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | K36 L98 N173 S177 | K36-A175 HydrophobicContact CG-CB 4.35Å; L98-A175 HydrophobicContact CB-CB 4.08Å; L98-A175 WeakPolarHBondContact CB-O 3.41Å; L98-A175 HydrophobicContact CD2-CB 4.24Å; L98-A175 PolarHBondContact N-O 3.19Å; N173-A175 PolarHBondContact O-N 3.45Å; A175-S177 PolarHBondContact O-N 2.78Å |
| 176 | G | 97 | Very high | 96.6 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 65.8 | 24.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H157 N173 Q174 | H157-G176 PolarHBondContact NE2-O 2.91Å; N173-G176 PolarHBondContact O-N 2.73Å; N173-G176 PolarHBondContact OD1-N 3.49Å; N173-G176 VanDerWaalsContact OD1-N 3.15Å; Q174-G176 VanDerWaalsContact C-N 3.31Å; Q174-G176 PolarHBondContact O-N 3.15Å |
| 177 | S | 96.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -83.8 | -14.3 | 178 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | N173 A175 P190 | N173-S177 PolarHBondContact ND2-OG 2.76Å; N173-S177 PolarHBondContact OD1-N 2.84Å; N173-S177 PolarHBondContact OD1-OG 2.75Å; A175-S177 PolarHBondContact O-N 2.78Å; S177-P190 WeakPolarHBondContact O-CD 3.24Å |
| 178 | Q | 96.9 | Very high | 96.6 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 27% | 0.271 | 29% | 0.294 | S | S | . | . | trans | -153.5 | 165.7 | 179.5 | 66.8 | -174.3 | 14.2 | 0 | 0 | 111.3 | R172 N173 V187 Y188 Y189 | R172-Q178 VanDerWaalsContact CA-O 3.29Å; R172-Q178 WeakPolarHBondContact CA-O 3.3Å; N173-Q178 HydrophobicContact CB-CG 4.23Å; N173-Q178 PolarHBondContact N-O 3.47Å; N173-Q178 PolarHBondContact OD1-N 2.88Å; N173-Q178 PolarHBondContact OD1-O 3.32Å; Q178-V187 HydrophobicContact CB-CG1 3.88Å; Q178-V187 HydrophobicContact CG-CG1 4.25Å; Q178-Y188 CarbonylContact C-O 3.52Å; Q178-Y188 VanDerWaalsContact CA-O 3.31Å; Q178-Y188 WeakPolarHBondContact CA-O 3.46Å; Q178-Y189 HydrophobicContact CB-CD1 3.86Å; Q178-Y189 HydrophobicContact CB-CE1 3.77Å; Q178-Y189 VanDerWaalsContact OE1-CE1 3.31Å; Q178-Y189 PolarHBondContact OE1-OH 2.9Å | ||
| 179 | R | 97.3 | Very high | 96.6 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 133.5 | 168.4 | -65.2 | -179.7 | 76 | 91.9 | 17.7 | 109.1 | W156 H157 N160 T170 Q171 R172 V187 Y188 | W156-R179 HydrophobicContact CH2-CB 3.99Å; W156-R179 HydrophobicContact CH2-CG 3.51Å; W156-R179 HydrophobicContact CZ2-CG 4.37Å; W156-R179 HydrophobicContact CZ3-CG 3.75Å; H157-R179 PolarHBondContact ND1-NH1 2.91Å; H157-R179 VanDerWaalsContact ND1-NH1 3.19Å; N160-R179 WeakPolarHBondContact O-CD 3.49Å; N160-R179 PolarHBondContact O-NE 2.84Å; T170-R179 PolarHBondContact O-NH2 3.37Å; T170-R179 PolarHBondContact OG1-NE 2.95Å; T170-R179 PolarHBondContact OG1-NH2 2.85Å; Q171-R179 CarbonylContact O-C 3.56Å; Q171-R179 VanDerWaalsContact O-CA 3.24Å; Q171-R179 WeakPolarHBondContact O-CA 3.37Å; R172-R179 HydrophobicContact CB-CG 4.11Å; R179-V187 CarbonylContact O-C 3.6Å; R179-V187 WeakPolarHBondContact O-CA 3.16Å; R179-Y188 PolarHBondContact N-O 3.46Å; R179-Y188 PolarHBondContact O-N 3.46Å |
| 180 | A | 97.3 | Very high | 96.4 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T170 Q171 I186 V187 | T170-A180 CarbonylContact C-O 3.59Å; T170-A180 VanDerWaalsContact CA-O 3.31Å; T170-A180 WeakPolarHBondContact CA-O 3.36Å; T170-A180 WeakPolarHBondContact CB-O 3.29Å; Q171-A180 PolarHBondContact N-O 2.99Å; Q171-A180 PolarHBondContact O-N 3.15Å; A180-I186 WeakPolarHBondContact CA-O 3.49Å; A180-V187 HydrophobicContact CB-CG2 4.35Å |
| 181 | C | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | trans | -94.3 | 116.9 | 168.2 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | C163 T170 S183 S184 S185 I186 | C163-C181 HydrophobicContact CB-CB 3.84Å; C163-C181 VanDerWaalsContact CB-SG 3.59Å; T170-C181 HydrophobicContact CG2-CB 4.19Å; C181-S183 PolarHBondContact O-N 2.89Å; C181-S184 VanDerWaalsContact CB-OG 3.29Å; C181-S184 WeakPolarHBondContact CB-OG 3.31Å; C181-S184 PolarHBondContact O-N 3.4Å; C181-S184 PolarHBondContact SG-OG 2.84Å; C181-S185 VanDerWaalsContact O-CA 3.31Å; C181-S185 WeakPolarHBondContact O-CA 3.3Å; C181-S185 PolarHBondContact O-N 2.86Å; C181-I186 PolarHBondContact N-O 2.85Å | ||
| 182 | S | 94.4 | Very high | 96.1 | Very high | 96 Ų | 96 | 55.8 Ų | 55.8 | 67% | 0.671 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28.3 | 177.8 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 183 | S | 95.5 | Very high | 96 | Very high | 84 Ų | 84 | 56 Ų | 56 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -29.6 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 114.2 | C181 | C181-S183 PolarHBondContact O-N 2.89Š|
| 184 | S | 95.9 | Very high | 96 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -5.8 | -175.2 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | C181 I186 | C181-S184 VanDerWaalsContact CB-OG 3.29Å; C181-S184 WeakPolarHBondContact CB-OG 3.31Å; C181-S184 PolarHBondContact O-N 3.4Å; C181-S184 PolarHBondContact SG-OG 2.84Å; S184-I186 PolarHBondContact O-N 2.83Å; S184-I186 WeakPolarHBondContact OG-CG1 3.36Å |
| 185 | S | 94.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 56.8 Ų | 56.8 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | trans | 58.6 | 10.3 | -171.8 | -54.1 | 0 | 0 | 0 | 0 | 114.5 | C181 V187 | C181-S185 VanDerWaalsContact O-CA 3.31Å; C181-S185 WeakPolarHBondContact O-CA 3.3Å; C181-S185 PolarHBondContact O-N 2.86Å; S185-V187 PolarHBondContact O-N 3.48Å | ||
| 186 | I | 97.3 | Very high | 96.1 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | trans | -70.6 | 129.5 | 176.2 | -61.8 | 171.5 | 0 | 0 | 0 | 109.2 | A165 A180 C181 S184 Y188 | A165-I186 HydrophobicContact CB-CD1 3.7Å; A180-I186 WeakPolarHBondContact CA-O 3.49Å; C181-I186 PolarHBondContact N-O 2.85Å; S184-I186 PolarHBondContact O-N 2.83Å; S184-I186 WeakPolarHBondContact OG-CG1 3.36Å; I186-Y188 HydrophobicContact CB-CE2 4.13Å; I186-Y188 HydrophobicContact CG2-CD1 4.34Å; I186-Y188 HydrophobicContact CG2-CD2 4.13Å; I186-Y188 HydrophobicContact CG2-CE1 3.87Å; I186-Y188 HydrophobicContact CG2-CE2 3.64Å; I186-Y188 HydrophobicContact CG2-CG 4.46Å; I186-Y188 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 187 | V | 96.9 | Very high | 96.2 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.3 | 171.3 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | Q178 R179 A180 S185 Y189 | Q178-V187 HydrophobicContact CB-CG1 3.88Å; Q178-V187 HydrophobicContact CG-CG1 4.25Å; R179-V187 CarbonylContact O-C 3.6Å; R179-V187 WeakPolarHBondContact O-CA 3.16Å; A180-V187 HydrophobicContact CB-CG2 4.35Å; S185-V187 PolarHBondContact O-N 3.48Å; V187-Y189 HydrophobicContact CB-CE2 4.34Å; V187-Y189 HydrophobicContact CG1-CE1 3.99Å; V187-Y189 HydrophobicContact CG1-CE2 3.9Å |
| 188 | Y | 97.3 | Very high | 96.3 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.6 | 176 | -59.9 | -85.6 | 0 | 0 | 0 | 109.6 | W156 C163 G164 T170 Q178 R179 I186 | W156-Y188 WeakPolarHBondContact CH2-O 3.15Å; C163-Y188 HydrophobicContact CB-CE2 4.34Å; C163-Y188 PolarHBondContact SG-OH 3.44Å; G164-Y188 PolarHBondContact N-OH 3.26Å; T170-Y188 HydrophobicContact CG2-CD2 4.15Å; T170-Y188 HydrophobicContact CG2-CE2 4.04Å; Q178-Y188 CarbonylContact C-O 3.52Å; Q178-Y188 VanDerWaalsContact CA-O 3.31Å; Q178-Y188 WeakPolarHBondContact CA-O 3.46Å; R179-Y188 PolarHBondContact N-O 3.46Å; R179-Y188 PolarHBondContact O-N 3.46Å; I186-Y188 HydrophobicContact CB-CE2 4.13Å; I186-Y188 HydrophobicContact CG2-CD1 4.34Å; I186-Y188 HydrophobicContact CG2-CD2 4.13Å; I186-Y188 HydrophobicContact CG2-CE1 3.87Å; I186-Y188 HydrophobicContact CG2-CE2 3.64Å; I186-Y188 HydrophobicContact CG2-CG 4.46Å; I186-Y188 VanDerWaalsContact CG2-CZ 3.49Å |
| 189 | Y | 96.8 | Very high | 96.4 | Very high | 128 Ų | 128 | 53.1 Ų | 53.1 | 50% | 0.502 | 30% | 0.303 | S | S | . | . | trans | -109 | 152.8 | 173 | -60.7 | -76.5 | 0 | 0 | 0 | 110.2 | Q178 V187 K191 | Q178-Y189 HydrophobicContact CB-CD1 3.86Å; Q178-Y189 HydrophobicContact CB-CE1 3.77Å; Q178-Y189 VanDerWaalsContact OE1-CE1 3.31Å; Q178-Y189 PolarHBondContact OE1-OH 2.9Å; V187-Y189 HydrophobicContact CB-CE2 4.34Å; V187-Y189 HydrophobicContact CG1-CE1 3.99Å; V187-Y189 HydrophobicContact CG1-CE2 3.9Å; Y189-K191 WeakPolarHBondContact O-CG 3.5Å; Y189-K191 PolarHBondContact O-N 2.89Å | ||
| 190 | P | 95 | Very high | 96.4 | Very high | 52 Ų | 52 | 52 Ų | 52 | 34% | 0.338 | 30% | 0.298 | S | S | . | . | trans | -52 | 128.4 | 168.4 | -25.3 | 33.5 | 0 | 0 | 0 | 110.9 | L153 W156 S177 | L153-P190 HydrophobicContact CD2-CB 3.98Å; L153-P190 HydrophobicContact CD2-CG 3.66Å; W156-P190 HydrophobicContact CD2-CB 4.13Å; W156-P190 HydrophobicContact CD2-CG 3.92Å; W156-P190 HydrophobicContact CE3-CB 4.45Å; W156-P190 HydrophobicContact CE3-CG 3.78Å; W156-P190 HydrophobicContact CG-CB 4.27Å; W156-P190 HydrophobicContact CH2-CG 4.15Å; W156-P190 HydrophobicContact CZ2-CG 4.33Å; W156-P190 HydrophobicContact CZ3-CG 3.87Å; S177-P190 WeakPolarHBondContact O-CD 3.24Å | ||
| 191 | K | 91.9 | Very high | 96.5 | Very high | 164 Ų | 164 | 50.9 Ų | 50.9 | 71% | 0.713 | 29% | 0.289 | S | S | * | . | trans | -109.5 | 151.7 | -179.4 | -62.8 | -173.7 | -179.1 | -177.9 | 0 | 110.6 | Y189 | Y189-K191 WeakPolarHBondContact O-CG 3.5Å; Y189-K191 PolarHBondContact O-N 2.89Å | ||
| 192 | M | 93.8 | Very high | 96.5 | Very high | 98 Ų | 98 | 51.4 Ų | 51.4 | 48% | 0.483 | 29% | 0.292 | S | S | . | . | trans | -122.4 | 133.6 | 168.9 | -59.7 | 177.7 | -67.8 | 0 | 0 | 107.8 | H258 S264 F266 | M192-H258 PolarHBondContact SD-CD2 2.68Å; M192-S264 VanDerWaalsContact CA-O 3.32Å; M192-S264 WeakPolarHBondContact CA-O 3.34Å; M192-F266 HydrophobicContact CB-CB 3.89Å; M192-F266 HydrophobicContact CE-CB 4.32Å; M192-F266 HydrophobicContact CE-CD2 4.43Å; M192-F266 HydrophobicContact CE-CG 4.44Å; M192-F266 HydrophobicContact SD-CB 4.3Å | ||
| 193 | S | 94.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 127.1 | 172.8 | -59.2 | 0 | 0 | 0 | 0 | 109.4 | S264 S265 F266 | S193-S264 PolarHBondContact N-O 3.38Å; S193-S264 VanDerWaalsContact N-O 3.07Å; S193-S265 CarbonylContact O-C 3.57Å; S193-S265 VanDerWaalsContact O-CA 3.26Å; S193-S265 WeakPolarHBondContact O-CA 3.12Å; S193-F266 PolarHBondContact O-N 3.33Å |
| 194 | P | 96.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 134.1 | 174.9 | 29.4 | -34.7 | 0 | 0 | 0 | 110.2 | C226 | P194-C226 HydrophobicContact CB-CB 4.16Å; P194-C226 HydrophobicContact CG-CB 3.94Å; P194-C226 PolarHBondContact O-N 3.25Å; P194-C226 VanDerWaalsContact O-N 3.14Å |
| 195 | V | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 128.1 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | A223 G224 F225 F266 M267 L268 | V195-A223 HydrophobicContact CG1-CB 4.28Å; V195-G224 CarbonylContact C-O 3.5Å; V195-G224 VanDerWaalsContact CA-O 3.32Å; V195-G224 WeakPolarHBondContact CA-O 3.25Å; V195-G224 WeakPolarHBondContact CG1-O 3.42Å; V195-F225 HydrophobicContact CG2-CD1 3.4Å; V195-F225 VanDerWaalsContact CG2-CD1 3.4Å; V195-F225 HydrophobicContact CG2-CE1 3.46Å; V195-F225 VanDerWaalsContact CG2-CE1 3.46Å; V195-F225 HydrophobicContact CG2-CG 4.11Å; V195-F225 HydrophobicContact CG2-CZ 4.21Å; V195-F266 PolarHBondContact N-O 3.2Å; V195-M267 HydrophobicContact CB-CE 4.37Å; V195-M267 HydrophobicContact CB-SD 3.65Å; V195-M267 HydrophobicContact CG1-CE 3.58Å; V195-M267 HydrophobicContact CG1-SD 3.5Å; V195-M267 VanDerWaalsContact CG1-SD 3.5Å; V195-M267 HydrophobicContact CG2-SD 4.27Å; V195-M267 CarbonylContact O-C 3.56Å; V195-M267 WeakPolarHBondContact O-CA 3.44Å; V195-L268 PolarHBondContact O-N 3.37Å |
| 196 | V | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 140.9 | 167.5 | -70 | 0 | 0 | 0 | 0 | 109.1 | A223 G224 L232 A235 L236 E239 | V196-A223 WeakPolarHBondContact O-CA 3.49Å; V196-A223 WeakPolarHBondContact O-CB 3.48Å; V196-G224 WeakPolarHBondContact CG2-O 3.31Å; V196-G224 PolarHBondContact N-O 3.4Å; V196-G224 PolarHBondContact O-N 3.07Å; V196-G224 VanDerWaalsContact O-N 3.1Å; V196-L232 HydrophobicContact CG1-CD2 3.77Å; V196-L232 HydrophobicContact CG1-CG 3.74Å; V196-A235 HydrophobicContact CG1-CB 4.24Å; V196-A235 HydrophobicContact CG2-CB 4.22Å; V196-L236 HydrophobicContact CB-CB 4.3Å; V196-L236 HydrophobicContact CG1-CB 4.29Å; V196-L236 HydrophobicContact CG2-CB 4.32Å; V196-E239 HydrophobicContact CG2-CG 4.09Å |
| 197 | I | 98.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.3 | 168.3 | -179.7 | 166.3 | 0 | 0 | 0 | 108.8 | A221 L222 A223 M267 L268 A269 C270 V325 A326 L329 | I197-A221 HydrophobicContact CD1-CB 4.12Å; I197-A221 HydrophobicContact CG1-CB 3.81Å; I197-L222 CarbonylContact C-O 3.59Å; I197-L222 WeakPolarHBondContact CA-O 3.17Å; I197-L222 WeakPolarHBondContact CG1-O 3.43Å; I197-A223 HydrophobicContact CB-CB 3.91Å; I197-A223 HydrophobicContact CD1-CB 4.34Å; I197-A223 HydrophobicContact CG1-CB 3.99Å; I197-M267 HydrophobicContact CB-CE 3.95Å; I197-M267 HydrophobicContact CD1-CE 4.1Å; I197-M267 HydrophobicContact CG2-CB 4.22Å; I197-M267 HydrophobicContact CG2-CE 4.11Å; I197-L268 PolarHBondContact N-O 2.78Å; I197-A269 HydrophobicContact CG2-CB 3.72Å; I197-A269 CarbonylContact O-C 3.59Å; I197-A269 VanDerWaalsContact O-CA 3.29Å; I197-A269 WeakPolarHBondContact O-CA 3.17Å; I197-C270 PolarHBondContact O-N 3.3Å; I197-V325 HydrophobicContact CD1-CG1 4.04Å; I197-V325 HydrophobicContact CG2-CG1 3.72Å; I197-A326 HydrophobicContact CD1-CB 3.81Å; I197-L329 HydrophobicContact CG1-CD1 4.22Å |
| 198 | V | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.2 | -168.2 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | V200 A221 L222 L236 V240 C270 A272 | V198-V200 HydrophobicContact CG1-CG2 4.21Å; V198-V200 HydrophobicContact CG2-CG2 4.01Å; V198-A221 WeakPolarHBondContact O-CB 3.21Å; V198-L222 HydrophobicContact CG1-CB 4.1Å; V198-L222 PolarHBondContact N-O 3.25Å; V198-L222 PolarHBondContact O-N 3.42Å; V198-L236 HydrophobicContact CB-CD1 3.79Å; V198-L236 HydrophobicContact CB-CD2 4.36Å; V198-L236 HydrophobicContact CB-CG 3.85Å; V198-L236 HydrophobicContact CG1-CD2 4.48Å; V198-L236 HydrophobicContact CG1-CG 4.09Å; V198-L236 HydrophobicContact CG2-CD1 3.75Å; V198-L236 HydrophobicContact CG2-CD2 3.93Å; V198-L236 HydrophobicContact CG2-CG 3.92Å; V198-V240 HydrophobicContact CG1-CG2 3.64Å; V198-C270 VanDerWaalsContact CA-O 3.3Å; V198-C270 WeakPolarHBondContact CA-O 3.31Å; V198-A272 HydrophobicContact CG2-CB 3.38Å |
| 199 | L | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 110 | 166.2 | -170.9 | 70.6 | 0 | 0 | 0 | 108.5 | C206 L208 A221 C270 A272 L329 I330 W333 | L199-C206 HydrophobicContact CD1-CB 4.01Å; L199-C206 HydrophobicContact CD2-CB 4.37Å; L199-C206 HydrophobicContact CG-CB 4.16Å; L199-L208 HydrophobicContact CD1-CD2 3.54Å; L199-A221 HydrophobicContact CB-CB 4.48Å; L199-A221 HydrophobicContact CD1-CB 4.33Å; L199-C270 PolarHBondContact N-O 3.08Å; L199-A272 PolarHBondContact O-N 3.27Å; L199-L329 HydrophobicContact CB-CB 3.92Å; L199-L329 HydrophobicContact CB-CD1 4.16Å; L199-L329 HydrophobicContact CD2-CB 4.12Å; L199-L329 VanDerWaalsContact CD2-O 3.3Å; L199-L329 WeakPolarHBondContact CD2-O 3.31Å; L199-I330 HydrophobicContact CD1-CG1 4.16Å; L199-I330 HydrophobicContact CD2-CG1 4.38Å; L199-W333 HydrophobicContact CD2-CB 3.45Å; L199-W333 VanDerWaalsContact CD2-CB 3.45Å; L199-W333 HydrophobicContact CD2-CG 3.98Å |
| 200 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.4 | -178.7 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | V198 C206 L207 V240 L246 A272 V274 W293 | V198-V200 HydrophobicContact CG1-CG2 4.21Å; V198-V200 HydrophobicContact CG2-CG2 4.01Å; V200-C206 CarbonylContact O-C 3.56Å; V200-C206 WeakPolarHBondContact O-CA 3.5Å; V200-L207 HydrophobicContact CB-CB 4.07Å; V200-L207 HydrophobicContact CB-CD2 4.33Å; V200-L207 PolarHBondContact O-N 3.17Å; V200-V240 HydrophobicContact CG2-CG1 4.21Å; V200-V240 HydrophobicContact CG2-CG2 3.78Å; V200-L246 HydrophobicContact CG1-CD1 4.46Å; V200-A272 CarbonylContact C-O 3.49Å; V200-A272 WeakPolarHBondContact CA-O 3.42Å; V200-A272 HydrophobicContact CG2-CB 4.39Å; V200-V274 HydrophobicContact CG1-CB 4.43Å; V200-V274 HydrophobicContact CG1-CG1 3.47Å; V200-V274 VanDerWaalsContact CG1-CG1 3.47Å; V200-V274 HydrophobicContact CG1-CG2 4.16Å; V200-W293 HydrophobicContact CG1-CH2 4.24Å |
| 201 | S | 98.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.2 | -179.3 | 179 | 0 | 0 | 0 | 0 | 111 | G203 R205 A272 T273 V274 W333 | S201-G203 VanDerWaalsContact C-N 3.25Å; S201-G203 PolarHBondContact OG-N 2.94Å; S201-R205 WeakPolarHBondContact CA-O 3.4Å; S201-R205 PolarHBondContact OG-O 3.44Å; S201-A272 PolarHBondContact N-O 2.84Å; S201-T273 VanDerWaalsContact O-CA 3.32Å; S201-T273 WeakPolarHBondContact O-CA 3.45Å; S201-V274 PolarHBondContact O-N 3.46Å; S201-W333 PolarHBondContact OG-NE1 2.94Å |
| 202 | D | 97.3 | Very high | 96.6 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | trans | -91.4 | 10.2 | 168 | 72.5 | 3.5 | 0 | 0 | 0 | 112.1 | K204 R205 V274 P276 W293 | D202-K204 PolarHBondContact OD1-N 3.02Å; D202-R205 PolarHBondContact N-O 3.34Å; D202-R205 PolarHBondContact OD1-N 3.4Å; D202-R205 IonicContact OD2-CZ 3.94Å; D202-R205 IonicContact OD2-NE 3.2Å; D202-R205 PolarHBondContact OD2-NE 3.02Å; D202-R205 IonicContact OD2-NH2 2.71Å; D202-R205 PolarHBondContact OD2-NH2 3.37Å; D202-V274 HydrophobicContact CB-CG2 4.15Å; D202-P276 WeakPolarHBondContact O-CG 3.26Å; D202-W293 HydrophobicContact CB-CH2 3.92Å; D202-W293 HydrophobicContact CB-CZ2 4.32Å; D202-W293 HydrophobicContact CB-CZ3 4.03Å | ||
| 203 | G | 94.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 99.9 | -44.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | S201 Q337 | S201-G203 VanDerWaalsContact C-N 3.25Å; S201-G203 PolarHBondContact OG-N 2.94Å; G203-Q337 PolarHBondContact O-NE2 3.01Å; G203-Q337 PolarHBondContact O-OE1 2.92Å |
| 204 | K | 93.9 | Very high | 96.1 | Very high | 177 Ų | 177 | 34.5 Ų | 34.5 | 77% | 0.77 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -103.7 | -25.5 | -177.2 | -66 | -174.7 | 178.3 | -175.4 | 0 | 113.4 | D202 | D202-K204 PolarHBondContact OD1-N 3.02Š|
| 205 | R | 97.8 | Very high | 95.6 | Very high | 79 Ų | 79 | 35 Ų | 35 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | trans | -129.7 | 155.5 | -175.6 | -58.8 | 175.9 | -60.1 | 172.1 | 2.5 | 109.3 | S201 D202 W293 F294 T295 | S201-R205 WeakPolarHBondContact CA-O 3.4Å; S201-R205 PolarHBondContact OG-O 3.44Å; D202-R205 PolarHBondContact N-O 3.34Å; D202-R205 PolarHBondContact OD1-N 3.4Å; D202-R205 IonicContact OD2-CZ 3.94Å; D202-R205 IonicContact OD2-NE 3.2Å; D202-R205 PolarHBondContact OD2-NE 3.02Å; D202-R205 IonicContact OD2-NH2 2.71Å; D202-R205 PolarHBondContact OD2-NH2 3.37Å; R205-W293 HydrophobicContact CB-CB 4.08Å; R205-W293 HydrophobicContact CB-CD2 4.46Å; R205-W293 HydrophobicContact CB-CE3 3.89Å; R205-F294 VanDerWaalsContact CA-O 3.26Å; R205-F294 WeakPolarHBondContact CA-O 3.09Å; R205-F294 WeakPolarHBondContact CB-O 3.35Å; R205-T295 HydrophobicContact CG-CG2 4.41Å | ||
| 206 | C | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 148.2 | 167 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | L199 V200 F294 W333 | L199-C206 HydrophobicContact CD1-CB 4.01Å; L199-C206 HydrophobicContact CD2-CB 4.37Å; L199-C206 HydrophobicContact CG-CB 4.16Å; V200-C206 CarbonylContact O-C 3.56Å; V200-C206 WeakPolarHBondContact O-CA 3.5Å; C206-F294 PolarHBondContact N-O 3.35Å; C206-F294 PolarHBondContact O-N 3.09Å; C206-W333 HydrophobicContact CB-CD2 3.85Å; C206-W333 HydrophobicContact CB-CE3 4.25Å; C206-W333 HydrophobicContact CB-CG 4.29Å; C206-W333 HydrophobicContact CB-CH2 4.39Å; C206-W333 HydrophobicContact CB-CZ2 3.98Å |
| 207 | L | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 127.8 | 176.7 | -177.6 | 57.5 | 0 | 0 | 0 | 109.2 | V200 L222 V244 L246 L281 A291 R292 W293 | V200-L207 HydrophobicContact CB-CB 4.07Å; V200-L207 HydrophobicContact CB-CD2 4.33Å; V200-L207 PolarHBondContact O-N 3.17Å; L207-L222 HydrophobicContact CD2-CD1 4.09Å; L207-V244 HydrophobicContact CD2-CB 4.12Å; L207-V244 HydrophobicContact CD2-CG1 4.08Å; L207-V244 HydrophobicContact CD2-CG2 3.74Å; L207-L246 HydrophobicContact CD2-CD1 3.77Å; L207-L281 HydrophobicContact CD1-CD1 3.75Å; L207-L281 HydrophobicContact CD1-CD2 3.84Å; L207-L281 HydrophobicContact CD1-CG 4.47Å; L207-L281 HydrophobicContact CD2-CD2 3.94Å; L207-A291 HydrophobicContact CD1-CB 4.4Å; L207-R292 WeakPolarHBondContact CD1-O 3.48Å; L207-W293 HydrophobicContact CB-CD2 4.47Å; L207-W293 HydrophobicContact CB-CE3 3.89Å; L207-W293 HydrophobicContact CB-CH2 4.03Å; L207-W293 HydrophobicContact CB-CZ3 3.65Å; L207-W293 HydrophobicContact CD1-CD2 4.48Å |
| 208 | L | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145.3 | 169 | -52.8 | 171.7 | 0 | 0 | 0 | 109.7 | L199 Y219 S220 A291 R292 F294 I299 L319 I330 | L199-L208 HydrophobicContact CD1-CD2 3.54Å; L208-Y219 HydrophobicContact CB-CD1 4.33Å; L208-S220 CarbonylContact C-O 3.31Å; L208-S220 WeakPolarHBondContact CA-O 3.37Å; L208-A291 WeakPolarHBondContact O-CA 3.38Å; L208-R292 PolarHBondContact N-O 3.48Å; L208-R292 PolarHBondContact O-N 3.18Å; L208-F294 HydrophobicContact CB-CD2 3.74Å; L208-F294 HydrophobicContact CB-CE2 3.58Å; L208-F294 HydrophobicContact CB-CZ 4.47Å; L208-F294 HydrophobicContact CD1-CD2 3.83Å; L208-F294 HydrophobicContact CD1-CE2 4.1Å; L208-F294 HydrophobicContact CD1-CG 4.1Å; L208-F294 HydrophobicContact CG-CD2 3.83Å; L208-F294 HydrophobicContact CG-CE2 4.15Å; L208-F294 HydrophobicContact CG-CG 4.49Å; L208-I299 HydrophobicContact CD1-CD1 3.65Å; L208-L319 HydrophobicContact CD1-CD2 3.85Å; L208-I330 HydrophobicContact CD1-CD1 4.47Å; L208-I330 HydrophobicContact CD2-CD1 3.98Å; L208-I330 HydrophobicContact CD2-CG1 4.08Å |
| 209 | G | 97.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 165.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y219 S220 D290 | G209-Y219 WeakPolarHBondContact O-CA 3.2Å; G209-S220 PolarHBondContact N-O 3.15Å; G209-S220 PolarHBondContact O-N 3.26Å; G209-D290 CarbonylContact C-O 3.57Å; G209-D290 WeakPolarHBondContact CA-O 3.36Å |
| 210 | R | 95.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 6% | 0.06 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.8 | 169.1 | 63.2 | 172.3 | -107.3 | 91.1 | -14.4 | 111.2 | F214 L218 Y219 E289 D290 | R210-F214 HydrophobicContact CB-CD2 4.33Å; R210-L218 VanDerWaalsContact CB-O 3.26Å; R210-L218 WeakPolarHBondContact CB-O 3.3Å; R210-Y219 HydrophobicContact CB-CD1 4.27Å; R210-Y219 HydrophobicContact CB-CE1 4.38Å; R210-Y219 HydrophobicContact CG-CD1 4.28Å; R210-Y219 HydrophobicContact CG-CE1 3.88Å; R210-E289 HydrophobicContact CG-CB 4.43Å; R210-E289 IonicContact CZ-OE1 2.72Å; R210-E289 VanDerWaalsContact CZ-OE1 3.31Å; R210-E289 IonicContact CZ-OE2 2.78Å; R210-E289 IonicContact NE-OE1 2.82Å; R210-E289 PolarHBondContact NE-OE1 3.03Å; R210-E289 IonicContact NE-OE2 2.83Å; R210-E289 IonicContact NH1-OE2 3.39Å; R210-E289 IonicContact NH2-OE1 3.89Å; R210-E289 PolarHBondContact NH2-OE1 2.84Å; R210-E289 IonicContact NH2-OE2 3.89Å; R210-E289 PolarHBondContact NH2-OE2 3Å; R210-E289 PolarHBondContact O-N 3.07Å; R210-D290 HydrophobicContact CG-CB 3.91Å; R210-D290 PolarHBondContact N-O 2.78Å; R210-D290 PolarHBondContact O-N 2.71Å |
| 211 | Q | 93.7 | Very high | 94.2 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | trans | -92.6 | 158.2 | 168.9 | -63.3 | 176.9 | 3.2 | 0 | 0 | 110.4 | S213 F214 L288 | Q211-S213 PolarHBondContact O-N 2.95Å; Q211-F214 HydrophobicContact CB-CD1 4.02Å; Q211-F214 HydrophobicContact CB-CE1 4.06Å; Q211-F214 HydrophobicContact CB-CG 4.36Å; Q211-F214 HydrophobicContact CB-CZ 4.44Å; Q211-F214 HydrophobicContact CG-CE1 4.29Å; Q211-F214 HydrophobicContact CG-CZ 4.32Å; Q211-F214 WeakPolarHBondContact O-CB 3.4Å; Q211-F214 PolarHBondContact O-N 3.41Å; Q211-L288 HydrophobicContact CG-CD2 3.91Å | ||
| 212 | S | 90.1 | Very high | 94.2 | Very high | 97 Ų | 97 | 47.2 Ų | 47.2 | 68% | 0.678 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.1 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | F214 E289 | S212-F214 VanDerWaalsContact C-N 3.29Å; S212-F214 PolarHBondContact O-N 3.48Å; S212-E289 VanDerWaalsContact CA-OE2 3.32Å; S212-E289 WeakPolarHBondContact CA-OE2 3.41Å |
| 213 | S | 88.4 | Confident | 94.2 | Very high | 89 Ų | 89 | 48.1 Ų | 48.1 | 62% | 0.622 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.7 | 176.7 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | Q211 | Q211-S213 PolarHBondContact O-N 2.95Š|
| 214 | F | 88.4 | Confident | 94.3 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 27% | 0.268 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -74.9 | 146.9 | -178.3 | -71.9 | 9.1 | 0 | 0 | 0 | 110.5 | R210 Q211 S212 R216 L218 | R210-F214 HydrophobicContact CB-CD2 4.33Å; Q211-F214 HydrophobicContact CB-CD1 4.02Å; Q211-F214 HydrophobicContact CB-CE1 4.06Å; Q211-F214 HydrophobicContact CB-CG 4.36Å; Q211-F214 HydrophobicContact CB-CZ 4.44Å; Q211-F214 HydrophobicContact CG-CE1 4.29Å; Q211-F214 HydrophobicContact CG-CZ 4.32Å; Q211-F214 WeakPolarHBondContact O-CB 3.4Å; Q211-F214 PolarHBondContact O-N 3.41Å; S212-F214 VanDerWaalsContact C-N 3.29Å; S212-F214 PolarHBondContact O-N 3.48Å; F214-R216 PolarHBondContact O-N 3.48Å; F214-L218 HydrophobicContact CB-CD2 4.47Å; F214-L218 HydrophobicContact CD2-CD2 4.34Å; F214-L218 HydrophobicContact CD2-CG 4.45Å |
| 215 | P | 86.7 | Confident | 94.4 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -47.2 | 138.8 | 166 | -29.8 | 37.6 | 0 | 0 | 0 | 112 | G217 L218 W318 | P215-G217 PolarHBondContact O-N 3.29Å; P215-L218 HydrophobicContact CB-CB 4.43Å; P215-L218 HydrophobicContact CG-CD2 4.43Å; P215-L218 VanDerWaalsContact O-CB 3.31Å; P215-L218 WeakPolarHBondContact O-CB 3.29Å; P215-L218 PolarHBondContact O-N 3.26Å; P215-W318 HydrophobicContact CB-CH2 3.94Å; P215-W318 HydrophobicContact CB-CZ2 3.42Å; P215-W318 VanDerWaalsContact CB-CZ2 3.42Å; P215-W318 HydrophobicContact CG-CH2 4.23Å; P215-W318 HydrophobicContact CG-CZ2 4.21Å |
| 216 | R | 87.1 | Confident | 94.4 | Very high | 208 Ų | 208 | 40.9 Ų | 40.9 | 79% | 0.785 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 131.9 | -178.4 | -69.3 | -175.5 | 177.1 | -168 | -2.3 | 111.1 | F214 L218 P315 W318 | F214-R216 PolarHBondContact O-N 3.48Å; R216-L218 VanDerWaalsContact C-N 3.31Å; R216-L218 PolarHBondContact O-N 2.92Å; R216-P315 HydrophobicContact CB-CB 4.42Å; R216-W318 PolarHBondContact O-NE1 2.93Å |
| 217 | G | 89.3 | Confident | 94.3 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P215 V317 W318 | P215-G217 PolarHBondContact O-N 3.29Å; G217-V317 WeakPolarHBondContact O-CA 3.26Å; G217-W318 VanDerWaalsContact O-CD1 3.31Å; G217-W318 PolarHBondContact O-N 3.22Å |
| 218 | L | 91.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -79.6 | 119.3 | 174.4 | 179.8 | 64.7 | 0 | 0 | 0 | 110.1 | R210 F214 P215 R216 W318 L319 P320 | R210-L218 VanDerWaalsContact CB-O 3.26Å; R210-L218 WeakPolarHBondContact CB-O 3.3Å; F214-L218 HydrophobicContact CB-CD2 4.47Å; F214-L218 HydrophobicContact CD2-CD2 4.34Å; F214-L218 HydrophobicContact CD2-CG 4.45Å; P215-L218 HydrophobicContact CB-CB 4.43Å; P215-L218 HydrophobicContact CG-CD2 4.43Å; P215-L218 VanDerWaalsContact O-CB 3.31Å; P215-L218 WeakPolarHBondContact O-CB 3.29Å; P215-L218 PolarHBondContact O-N 3.26Å; R216-L218 VanDerWaalsContact C-N 3.31Å; R216-L218 PolarHBondContact O-N 2.92Å; L218-W318 WeakPolarHBondContact CA-O 3.22Å; L218-W318 HydrophobicContact CB-CD2 4.23Å; L218-W318 HydrophobicContact CB-CH2 4.32Å; L218-W318 HydrophobicContact CB-CZ2 3.93Å; L218-W318 HydrophobicContact CD1-CD2 4.06Å; L218-W318 HydrophobicContact CD1-CE3 3.75Å; L218-W318 HydrophobicContact CD1-CH2 4.33Å; L218-W318 HydrophobicContact CD1-CZ3 3.87Å; L218-W318 HydrophobicContact CD2-CH2 4.35Å; L218-L319 VanDerWaalsContact CD1-C 3.47Å; L218-P320 HydrophobicContact CD1-CG 4.22Å |
| 219 | Y | 96.6 | Very high | 94 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 9% | 0.09 | 33% | 0.33 | C | S | . | . | trans | -114.1 | 144.2 | 170.9 | -76 | -101.8 | 0 | 0 | 0 | 110.1 | L208 G209 R210 D290 R292 F294 V317 W318 P320 | L208-Y219 HydrophobicContact CB-CD1 4.33Å; G209-Y219 WeakPolarHBondContact O-CA 3.2Å; R210-Y219 HydrophobicContact CB-CD1 4.27Å; R210-Y219 HydrophobicContact CB-CE1 4.38Å; R210-Y219 HydrophobicContact CG-CD1 4.28Å; R210-Y219 HydrophobicContact CG-CE1 3.88Å; Y219-D290 HydrophobicContact CE1-CB 4.29Å; Y219-D290 WeakPolarHBondContact CE1-OD2 3.41Å; Y219-D290 VanDerWaalsContact CZ-OD2 3.3Å; Y219-D290 PolarHBondContact OH-OD2 2.88Å; Y219-R292 HydrophobicContact CE1-CG 4.47Å; Y219-F294 AromaticContact CD1-CE2 3.83Å; Y219-F294 HydrophobicContact CD1-CE2 3.83Å; Y219-F294 AromaticContact CD1-CZ 3.62Å; Y219-F294 HydrophobicContact CD1-CZ 3.62Å; Y219-F294 HydrophobicContact CD2-CZ 4.13Å; Y219-F294 HydrophobicContact CE1-CE2 4.29Å; Y219-F294 AromaticContact CE1-CZ 3.94Å; Y219-F294 HydrophobicContact CE1-CZ 3.94Å; Y219-F294 HydrophobicContact CE2-CZ 4.42Å; Y219-F294 HydrophobicContact CG-CE2 4.24Å; Y219-F294 AromaticContact CG-CZ 3.72Å; Y219-F294 HydrophobicContact CG-CZ 3.72Å; Y219-V317 HydrophobicContact CD2-CG1 4.12Å; Y219-V317 HydrophobicContact CE2-CG2 4.42Å; Y219-W318 PolarHBondContact N-O 2.95Å; Y219-P320 WeakPolarHBondContact O-CD 3.39Å | ||
| 220 | S | 96.9 | Very high | 94 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -139.7 | 164.8 | -177.4 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | L208 G209 A326 | L208-S220 CarbonylContact C-O 3.31Å; L208-S220 WeakPolarHBondContact CA-O 3.37Å; G209-S220 PolarHBondContact N-O 3.15Å; G209-S220 PolarHBondContact O-N 3.26Å; S220-A326 WeakPolarHBondContact OG-CB 3.38Å |
| 221 | A | 98.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 63 Ų | 63 | 7% | 0.066 | 36% | 0.357 | C | S | . | . | trans | -55.3 | 151.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I197 V198 L199 A326 L329 | I197-A221 HydrophobicContact CD1-CB 4.12Å; I197-A221 HydrophobicContact CG1-CB 3.81Å; V198-A221 WeakPolarHBondContact O-CB 3.21Å; L199-A221 HydrophobicContact CB-CB 4.48Å; L199-A221 HydrophobicContact CD1-CB 4.33Å; A221-A326 HydrophobicContact CB-CB 4.36Å; A221-L329 HydrophobicContact CB-CD1 4.29Å | ||
| 222 | L | 98.2 | Very high | 94.2 | Very high | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 145.1 | 178.3 | -54.8 | -173.3 | 0 | 0 | 0 | 109.9 | I197 V198 L207 V240 E243 V244 L288 | I197-L222 CarbonylContact C-O 3.59Å; I197-L222 WeakPolarHBondContact CA-O 3.17Å; I197-L222 WeakPolarHBondContact CG1-O 3.43Å; V198-L222 HydrophobicContact CG1-CB 4.1Å; V198-L222 PolarHBondContact N-O 3.25Å; V198-L222 PolarHBondContact O-N 3.42Å; L207-L222 HydrophobicContact CD2-CD1 4.09Å; L222-V240 HydrophobicContact CD1-CG2 4.47Å; L222-E243 WeakPolarHBondContact CB-OE2 3.42Å; L222-E243 WeakPolarHBondContact CD2-OE2 3.14Å; L222-V244 HydrophobicContact CD1-CB 4.48Å; L222-V244 HydrophobicContact CD1-CG1 3.87Å; L222-V244 HydrophobicContact CD1-CG2 3.74Å; L222-V244 HydrophobicContact CD2-CG1 4.47Å; L222-L288 HydrophobicContact CD2-CD1 4.11Å |
| 223 | A | 97.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 138.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V195 V196 I197 M267 | V195-A223 HydrophobicContact CG1-CB 4.28Å; V196-A223 WeakPolarHBondContact O-CA 3.49Å; V196-A223 WeakPolarHBondContact O-CB 3.48Å; I197-A223 HydrophobicContact CB-CB 3.91Å; I197-A223 HydrophobicContact CD1-CB 4.34Å; I197-A223 HydrophobicContact CG1-CB 3.99Å; A223-M267 HydrophobicContact CB-CE 4.32Å |
| 224 | G | 96.3 | Very high | 95 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 171.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V195 V196 E239 | V195-G224 CarbonylContact C-O 3.5Å; V195-G224 VanDerWaalsContact CA-O 3.32Å; V195-G224 WeakPolarHBondContact CA-O 3.25Å; V195-G224 WeakPolarHBondContact CG1-O 3.42Å; V196-G224 WeakPolarHBondContact CG2-O 3.31Å; V196-G224 PolarHBondContact N-O 3.4Å; V196-G224 PolarHBondContact O-N 3.07Å; V196-G224 VanDerWaalsContact O-N 3.1Å; G224-E239 VanDerWaalsContact CA-CD 3.41Å; G224-E239 WeakPolarHBondContact CA-OE1 3.45Å; G224-E239 WeakPolarHBondContact CA-OE2 3.48Å |
| 225 | F | 97.2 | Very high | 95.5 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 146.2 | -170.9 | -70.7 | -83.1 | 0 | 0 | 0 | 110.6 | V195 R238 E239 | V195-F225 HydrophobicContact CG2-CD1 3.4Å; V195-F225 VanDerWaalsContact CG2-CD1 3.4Å; V195-F225 HydrophobicContact CG2-CE1 3.46Å; V195-F225 VanDerWaalsContact CG2-CE1 3.46Å; V195-F225 HydrophobicContact CG2-CG 4.11Å; V195-F225 HydrophobicContact CG2-CZ 4.21Å; F225-R238 PolarHBondContact O-NH2 3.25Å; F225-E239 PolarHBondContact N-OE1 3.35Å |
| 226 | C | 97.1 | Very high | 96 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 132 | 168.3 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | P194 A235 | P194-C226 HydrophobicContact CB-CB 4.16Å; P194-C226 HydrophobicContact CG-CB 3.94Å; P194-C226 PolarHBondContact O-N 3.25Å; P194-C226 VanDerWaalsContact O-N 3.14Å; C226-A235 HydrophobicContact CB-CB 4.12Å |
| 227 | D | 96.6 | Very high | 96.6 | Very high | 100 Ų | 100 | 50.8 Ų | 50.8 | 54% | 0.535 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -80 | 163.5 | 173.6 | -80.9 | -19.6 | 0 | 0 | 0 | 112.4 | G229 E230 | D227-G229 PolarHBondContact O-N 2.87Å; D227-G229 VanDerWaalsContact O-N 3.17Å; D227-E230 HydrophobicContact CB-CG 3.95Å; D227-E230 PolarHBondContact N-OE2 2.97Å; D227-E230 PolarHBondContact O-N 2.8Å; D227-E230 VanDerWaalsContact O-N 3.16Å |
| 228 | I | 95.6 | Very high | 97 | Very high | 183 Ų | 183 | 52.6 Ų | 52.6 | 94% | 0.938 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 119.5 | 178.6 | -62.3 | 174.8 | 0 | 0 | 0 | 109.1 | ||
| 229 | G | 95.7 | Very high | 97.3 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 81% | 0.814 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | -8.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D227 | D227-G229 PolarHBondContact O-N 2.87Å; D227-G229 VanDerWaalsContact O-N 3.17Å |
| 230 | E | 96.9 | Very high | 97.4 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | trans | -78.3 | 140.8 | 173.6 | -67.2 | -170.3 | 139.1 | 0 | 0 | 111.8 | D227 E234 A235 R238 | D227-E230 HydrophobicContact CB-CG 3.95Å; D227-E230 PolarHBondContact N-OE2 2.97Å; D227-E230 PolarHBondContact O-N 2.8Å; D227-E230 VanDerWaalsContact O-N 3.16Å; E230-E234 HydrophobicContact CB-CB 4.38Å; E230-A235 HydrophobicContact CB-CB 4.48Å; E230-A235 WeakPolarHBondContact OE2-CB 3.32Å; E230-R238 WeakPolarHBondContact OE1-CD 3.39Å; E230-R238 IonicContact OE1-CZ 3.7Å; E230-R238 IonicContact OE1-NE 3.87Å; E230-R238 PolarHBondContact OE1-NE 2.99Å; E230-R238 IonicContact OE1-NH2 2.64Å; E230-R238 IonicContact OE2-CZ 2.59Å; E230-R238 IonicContact OE2-NE 3.28Å; E230-R238 PolarHBondContact OE2-NE 3.16Å; E230-R238 IonicContact OE2-NH2 3.31Å; E230-R238 PolarHBondContact OE2-NH2 2.86Å | ||
| 231 | T | 97.6 | Very high | 97.5 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | trans | -71.2 | 161.8 | 156.4 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | E233 E234 A235 | T231-E233 PolarHBondContact O-N 3Å; T231-E234 WeakPolarHBondContact CB-OE2 3.49Å; T231-E234 WeakPolarHBondContact CG2-OE2 3.45Å; T231-E234 PolarHBondContact N-OE2 3.08Å; T231-E234 PolarHBondContact O-N 3.29Å; T231-E234 WeakPolarHBondContact OG1-CB 3.47Å; T231-E234 WeakPolarHBondContact OG1-CG 3.39Å; T231-E234 PolarHBondContact OG1-N 3.26Å; T231-E234 PolarHBondContact OG1-OE2 3.48Å; T231-A235 PolarHBondContact O-N 2.89Å | ||
| 232 | L | 95.8 | Very high | 97.5 | Very high | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 175.4 | -173.7 | 170.8 | 0 | 0 | 0 | 110.5 | V196 E234 A235 L236 L268 | V196-L232 HydrophobicContact CG1-CD2 3.77Å; V196-L232 HydrophobicContact CG1-CG 3.74Å; L232-E234 VanDerWaalsContact C-N 3.34Å; L232-E234 PolarHBondContact O-N 3.07Å; L232-A235 PolarHBondContact O-N 3.31Å; L232-L236 WeakPolarHBondContact O-CB 3.2Å; L232-L236 PolarHBondContact O-N 2.94Å; L232-L268 HydrophobicContact CD1-CB 3.82Å; L232-L268 HydrophobicContact CD1-CD1 3.8Å; L232-L268 HydrophobicContact CD1-CD2 3.94Å; L232-L268 HydrophobicContact CD1-CG 4.05Å; L232-L268 HydrophobicContact CG-CB 4.36Å; L232-L268 HydrophobicContact CG-CD1 4.32Å |
| 233 | E | 97.9 | Very high | 97.5 | Very high | 91 Ų | 91 | 57 Ų | 57 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.2 | -29.4 | -178 | -61.7 | 84 | 173.2 | 0 | 0 | 112.8 | T231 R237 I251 | T231-E233 PolarHBondContact O-N 3Å; E233-R237 VanDerWaalsContact O-CG 3.28Å; E233-R237 WeakPolarHBondContact O-CG 3.25Å; E233-R237 PolarHBondContact O-N 2.6Å; E233-R237 PolarHBondContact O-NH1 3.33Å; E233-I251 HydrophobicContact CB-CD1 3.9Å; E233-I251 HydrophobicContact CG-CD1 4.14Å |
| 234 | E | 98.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 46% | 0.458 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.7 | -50.4 | 171.5 | -76.2 | 160.9 | 154.7 | 0 | 0 | 110.7 | E230 T231 L232 L236 R237 R238 | E230-E234 HydrophobicContact CB-CB 4.38Å; T231-E234 WeakPolarHBondContact CB-OE2 3.49Å; T231-E234 WeakPolarHBondContact CG2-OE2 3.45Å; T231-E234 PolarHBondContact N-OE2 3.08Å; T231-E234 PolarHBondContact O-N 3.29Å; T231-E234 WeakPolarHBondContact OG1-CB 3.47Å; T231-E234 WeakPolarHBondContact OG1-CG 3.39Å; T231-E234 PolarHBondContact OG1-N 3.26Å; T231-E234 PolarHBondContact OG1-OE2 3.48Å; L232-E234 VanDerWaalsContact C-N 3.34Å; L232-E234 PolarHBondContact O-N 3.07Å; E234-L236 VanDerWaalsContact C-N 3.31Å; E234-L236 PolarHBondContact O-N 3.09Å; E234-R237 PolarHBondContact O-N 3.15Å; E234-R237 VanDerWaalsContact O-N 3.13Å; E234-R238 WeakPolarHBondContact O-CB 3.34Å; E234-R238 PolarHBondContact O-N 2.89Å |
| 235 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V196 C226 E230 T231 L232 R237 R238 E239 | V196-A235 HydrophobicContact CG1-CB 4.24Å; V196-A235 HydrophobicContact CG2-CB 4.22Å; C226-A235 HydrophobicContact CB-CB 4.12Å; E230-A235 HydrophobicContact CB-CB 4.48Å; E230-A235 WeakPolarHBondContact OE2-CB 3.32Å; T231-A235 PolarHBondContact O-N 2.89Å; L232-A235 PolarHBondContact O-N 3.31Å; A235-R237 PolarHBondContact O-N 2.85Å; A235-R238 PolarHBondContact O-N 3.19Å; A235-E239 WeakPolarHBondContact O-CB 3.47Å; A235-E239 WeakPolarHBondContact O-CG 3.35Å; A235-E239 PolarHBondContact O-N 3.3Å |
| 236 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 178.4 | -175.9 | 160.7 | 0 | 0 | 0 | 112.4 | V196 V198 L232 E234 V240 V248 I251 C270 A272 | V196-L236 HydrophobicContact CB-CB 4.3Å; V196-L236 HydrophobicContact CG1-CB 4.29Å; V196-L236 HydrophobicContact CG2-CB 4.32Å; V198-L236 HydrophobicContact CB-CD1 3.79Å; V198-L236 HydrophobicContact CB-CD2 4.36Å; V198-L236 HydrophobicContact CB-CG 3.85Å; V198-L236 HydrophobicContact CG1-CD2 4.48Å; V198-L236 HydrophobicContact CG1-CG 4.09Å; V198-L236 HydrophobicContact CG2-CD1 3.75Å; V198-L236 HydrophobicContact CG2-CD2 3.93Å; V198-L236 HydrophobicContact CG2-CG 3.92Å; L232-L236 WeakPolarHBondContact O-CB 3.2Å; L232-L236 PolarHBondContact O-N 2.94Å; E234-L236 VanDerWaalsContact C-N 3.31Å; E234-L236 PolarHBondContact O-N 3.09Å; L236-V240 HydrophobicContact CD2-CG2 4.32Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 3.28Å; L236-V240 VanDerWaalsContact O-N 3.15Å; L236-V248 HydrophobicContact CD2-CG1 4.29Å; L236-V248 HydrophobicContact CD2-CG2 4.08Å; L236-I251 HydrophobicContact CB-CD1 4.46Å; L236-I251 HydrophobicContact CD1-CD1 4.31Å; L236-I251 HydrophobicContact CD1-CG1 4.4Å; L236-I251 HydrophobicContact CD1-CG2 3.82Å; L236-I251 HydrophobicContact CD2-CD1 3.75Å; L236-I251 HydrophobicContact CD2-CG1 3.93Å; L236-I251 HydrophobicContact CG-CD1 4.41Å; L236-C270 HydrophobicContact CD1-CB 3.49Å; L236-C270 VanDerWaalsContact CD1-CB 3.49Å; L236-A272 HydrophobicContact CD2-CB 4.22Å |
| 237 | R | 98.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 40% | 0.404 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 176.8 | -75.6 | -173.3 | -174 | 86.8 | -2.9 | 111.8 | E233 E234 A235 A241 V248 I251 | E233-R237 VanDerWaalsContact O-CG 3.28Å; E233-R237 WeakPolarHBondContact O-CG 3.25Å; E233-R237 PolarHBondContact O-N 2.6Å; E233-R237 PolarHBondContact O-NH1 3.33Å; E234-R237 PolarHBondContact O-N 3.15Å; E234-R237 VanDerWaalsContact O-N 3.13Å; A235-R237 PolarHBondContact O-N 2.85Å; R237-A241 WeakPolarHBondContact O-CB 3.1Å; R237-A241 PolarHBondContact O-N 3.16Å; R237-V248 HydrophobicContact CG-CB 4.13Å; R237-I251 HydrophobicContact CG-CD1 4.3Å |
| 238 | R | 98.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -53.8 | 177.5 | 177.2 | -178.9 | 52.6 | 66.9 | 1.9 | 110.6 | F225 E230 E234 A235 V240 A241 E242 | F225-R238 PolarHBondContact O-NH2 3.25Å; E230-R238 WeakPolarHBondContact OE1-CD 3.39Å; E230-R238 IonicContact OE1-CZ 3.7Å; E230-R238 IonicContact OE1-NE 3.87Å; E230-R238 PolarHBondContact OE1-NE 2.99Å; E230-R238 IonicContact OE1-NH2 2.64Å; E230-R238 IonicContact OE2-CZ 2.59Å; E230-R238 IonicContact OE2-NE 3.28Å; E230-R238 PolarHBondContact OE2-NE 3.16Å; E230-R238 IonicContact OE2-NH2 3.31Å; E230-R238 PolarHBondContact OE2-NH2 2.86Å; E234-R238 WeakPolarHBondContact O-CB 3.34Å; E234-R238 PolarHBondContact O-N 2.89Å; A235-R238 PolarHBondContact O-N 3.19Å; R238-V240 VanDerWaalsContact C-N 3.33Å; R238-V240 PolarHBondContact O-N 2.83Å; R238-A241 CarbonylContact O-C 3.6Å; R238-A241 WeakPolarHBondContact O-CA 3.29Å; R238-A241 WeakPolarHBondContact O-CB 3.08Å; R238-A241 PolarHBondContact O-N 2.99Å; R238-E242 VanDerWaalsContact CD-OE1 3.29Å; R238-E242 WeakPolarHBondContact CD-OE1 3.37Å; R238-E242 HydrophobicContact CG-CG 4.04Å; R238-E242 WeakPolarHBondContact CG-OE1 3.14Å; R238-E242 WeakPolarHBondContact CG-OE2 3.45Å; R238-E242 IonicContact CZ-OE2 2.84Å; R238-E242 IonicContact NH1-OE2 3.76Å; R238-E242 PolarHBondContact NH1-OE2 2.99Å; R238-E242 WeakPolarHBondContact O-CB 3.33Å; R238-E242 WeakPolarHBondContact O-CG 3.35Å; R238-E242 PolarHBondContact O-N 2.85Å |
| 239 | E | 98.2 | Very high | 97.9 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.7 | -43 | -179.1 | -68.1 | -70.6 | 164.7 | 0 | 0 | 112.2 | V196 G224 F225 A235 A241 E242 E243 | V196-E239 HydrophobicContact CG2-CG 4.09Å; G224-E239 VanDerWaalsContact CA-CD 3.41Å; G224-E239 WeakPolarHBondContact CA-OE1 3.45Å; G224-E239 WeakPolarHBondContact CA-OE2 3.48Å; F225-E239 PolarHBondContact N-OE1 3.35Å; A235-E239 WeakPolarHBondContact O-CB 3.47Å; A235-E239 WeakPolarHBondContact O-CG 3.35Å; A235-E239 PolarHBondContact O-N 3.3Å; E239-A241 PolarHBondContact O-N 2.68Å; E239-E242 PolarHBondContact O-N 3.22Å; E239-E243 WeakPolarHBondContact O-CB 3.3Å; E239-E243 PolarHBondContact O-N 3.2Å |
| 240 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | V198 V200 L222 L236 R238 V244 G245 L246 V248 | V198-V240 HydrophobicContact CG1-CG2 3.64Å; V200-V240 HydrophobicContact CG2-CG1 4.21Å; V200-V240 HydrophobicContact CG2-CG2 3.78Å; L222-V240 HydrophobicContact CD1-CG2 4.47Å; L236-V240 HydrophobicContact CD2-CG2 4.32Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 3.28Å; L236-V240 VanDerWaalsContact O-N 3.15Å; R238-V240 VanDerWaalsContact C-N 3.33Å; R238-V240 PolarHBondContact O-N 2.83Å; V240-V244 HydrophobicContact CG1-CG2 3.96Å; V240-V244 WeakPolarHBondContact O-CG2 3.46Å; V240-V244 PolarHBondContact O-N 3.46Å; V240-G245 PolarHBondContact O-N 3.15Å; V240-L246 HydrophobicContact CG1-CB 3.84Å; V240-L246 PolarHBondContact O-N 2.86Å; V240-V248 HydrophobicContact CB-CG2 3.88Å; V240-V248 HydrophobicContact CG1-CG2 3.74Å; V240-V248 HydrophobicContact CG2-CG2 4.04Å |
| 241 | A | 98.3 | Very high | 98 | Very high | 54 Ų | 54 | 50 Ų | 50 | 45% | 0.446 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.6 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R237 R238 E239 G245 | R237-A241 WeakPolarHBondContact O-CB 3.1Å; R237-A241 PolarHBondContact O-N 3.16Å; R238-A241 CarbonylContact O-C 3.6Å; R238-A241 WeakPolarHBondContact O-CA 3.29Å; R238-A241 WeakPolarHBondContact O-CB 3.08Å; R238-A241 PolarHBondContact O-N 2.99Å; E239-A241 PolarHBondContact O-N 2.68Å; A241-G245 WeakPolarHBondContact O-CA 3.27Å; A241-G245 PolarHBondContact O-N 3.41Å |
| 242 | E | 97.9 | Very high | 98.1 | Very high | 90 Ų | 90 | 52 Ų | 52 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.8 | -54.5 | 179.6 | -73.8 | 173.9 | 167.6 | 0 | 0 | 111.3 | R238 E239 | R238-E242 VanDerWaalsContact CD-OE1 3.29Å; R238-E242 WeakPolarHBondContact CD-OE1 3.37Å; R238-E242 HydrophobicContact CG-CG 4.04Å; R238-E242 WeakPolarHBondContact CG-OE1 3.14Å; R238-E242 WeakPolarHBondContact CG-OE2 3.45Å; R238-E242 IonicContact CZ-OE2 2.84Å; R238-E242 IonicContact NH1-OE2 3.76Å; R238-E242 PolarHBondContact NH1-OE2 2.99Å; R238-E242 WeakPolarHBondContact O-CB 3.33Å; R238-E242 WeakPolarHBondContact O-CG 3.35Å; R238-E242 PolarHBondContact O-N 2.85Å; E239-E242 PolarHBondContact O-N 3.22Å |
| 243 | E | 98 | Very high | 98.2 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.7 | -34 | -171.3 | -71.5 | -168.5 | 154.8 | 0 | 0 | 113.4 | L222 E239 V283 D284 L288 | L222-E243 WeakPolarHBondContact CB-OE2 3.42Å; L222-E243 WeakPolarHBondContact CD2-OE2 3.14Å; E239-E243 WeakPolarHBondContact O-CB 3.3Å; E239-E243 PolarHBondContact O-N 3.2Å; E243-V283 WeakPolarHBondContact O-CA 3.24Å; E243-D284 PolarHBondContact O-N 2.99Å; E243-L288 HydrophobicContact CB-CD1 3.86Å; E243-L288 HydrophobicContact CB-CG 4.37Å; E243-L288 HydrophobicContact CG-CD1 4.38Å; E243-L288 HydrophobicContact CG-CG 4.48Å |
| 244 | V | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -136.6 | -1.5 | -169 | -61.9 | 0 | 0 | 0 | 0 | 115.3 | L207 L222 V240 L246 L281 N282 L288 A291 | L207-V244 HydrophobicContact CD2-CB 4.12Å; L207-V244 HydrophobicContact CD2-CG1 4.08Å; L207-V244 HydrophobicContact CD2-CG2 3.74Å; L222-V244 HydrophobicContact CD1-CB 4.48Å; L222-V244 HydrophobicContact CD1-CG1 3.87Å; L222-V244 HydrophobicContact CD1-CG2 3.74Å; L222-V244 HydrophobicContact CD2-CG1 4.47Å; V240-V244 HydrophobicContact CG1-CG2 3.96Å; V240-V244 WeakPolarHBondContact O-CG2 3.46Å; V240-V244 PolarHBondContact O-N 3.46Å; V244-L246 HydrophobicContact CG2-CB 4.32Å; V244-L246 HydrophobicContact CG2-CD1 4.1Å; V244-L246 HydrophobicContact CG2-CG 4.07Å; V244-L246 PolarHBondContact O-N 2.89Å; V244-L281 HydrophobicContact CB-CD2 4.33Å; V244-N282 CarbonylContact C-O 3.11Å; V244-N282 WeakPolarHBondContact CA-O 3.27Å; V244-N282 PolarHBondContact O-N 3.28Å; V244-L288 HydrophobicContact CG1-CD1 4.07Å; V244-A291 HydrophobicContact CG1-CB 3.84Å |
| 245 | G | 97.9 | Very high | 98.2 | Very high | 37 Ų | 37 | 49.3 Ų | 49.3 | 38% | 0.381 | 25% | 0.253 | S | S | . | . | trans | 69.9 | 27.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V240 A241 N282 | V240-G245 PolarHBondContact O-N 3.15Å; A241-G245 WeakPolarHBondContact O-CA 3.27Å; A241-G245 PolarHBondContact O-N 3.41Å; G245-N282 PolarHBondContact N-O 3.16Å | ||
| 246 | L | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | trans | -107.3 | 146.7 | -178 | -63.1 | 178 | 0 | 0 | 0 | 113 | V200 L207 V240 V244 V274 H278 L281 W293 | V200-L246 HydrophobicContact CG1-CD1 4.46Å; L207-L246 HydrophobicContact CD2-CD1 3.77Å; V240-L246 HydrophobicContact CG1-CB 3.84Å; V240-L246 PolarHBondContact O-N 2.86Å; V244-L246 HydrophobicContact CG2-CB 4.32Å; V244-L246 HydrophobicContact CG2-CD1 4.1Å; V244-L246 HydrophobicContact CG2-CG 4.07Å; V244-L246 PolarHBondContact O-N 2.89Å; L246-V274 HydrophobicContact CB-CG1 4.1Å; L246-V274 HydrophobicContact CD1-CG1 4.26Å; L246-V274 HydrophobicContact CD1-CG2 4.4Å; L246-H278 WeakPolarHBondContact CD2-O 3.4Å; L246-L281 HydrophobicContact CD1-CD2 3.72Å; L246-L281 HydrophobicContact CD2-CD2 4.3Å; L246-L281 HydrophobicContact CG-CD2 4.11Å; L246-W293 HydrophobicContact CD1-CH2 4.08Å; L246-W293 HydrophobicContact CD1-CZ2 3.68Å | ||
| 247 | E | 98.1 | Very high | 97.9 | Very high | 176 Ų | 176 | 53.8 Ų | 53.8 | 82% | 0.822 | 28% | 0.279 | S | S | * | . | trans | -96 | 116.7 | 173 | -67.5 | -176.2 | -177 | 0 | 0 | 111.5 | ||||
| 248 | V | 98.3 | Very high | 97.6 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.5 | 179.4 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | L236 R237 V240 S250 I251 A272 | L236-V248 HydrophobicContact CD2-CG1 4.29Å; L236-V248 HydrophobicContact CD2-CG2 4.08Å; R237-V248 HydrophobicContact CG-CB 4.13Å; V240-V248 HydrophobicContact CB-CG2 3.88Å; V240-V248 HydrophobicContact CG1-CG2 3.74Å; V240-V248 HydrophobicContact CG2-CG2 4.04Å; V248-S250 WeakPolarHBondContact CG1-O 3.25Å; V248-I251 HydrophobicContact CG1-CD1 4.28Å; V248-I251 HydrophobicContact CG1-CG1 3.68Å; V248-A272 HydrophobicContact CG1-CB 3.83Å; V248-A272 HydrophobicContact CG2-CB 4.35Å |
| 249 | Q | 97.6 | Very high | 97.3 | Very high | 122 Ų | 122 | 52.3 Ų | 52.3 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -42.3 | 178.3 | -65.8 | -174.7 | -36.4 | 0 | 0 | 113.2 | T273 | Q249-T273 PolarHBondContact N-O 3.07Å |
| 250 | S | 97.6 | Very high | 96.7 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 152.6 | -179.1 | 78.7 | 0 | 0 | 0 | 0 | 111.1 | V248 A272 T273 | V248-S250 WeakPolarHBondContact CG1-O 3.25Å; S250-A272 WeakPolarHBondContact O-CA 3.33Å; S250-T273 PolarHBondContact O-N 3.23Å; S250-T273 PolarHBondContact OG-OG1 3.08Å |
| 251 | I | 98.4 | Very high | 96 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.9 | -179.9 | -59.9 | 170.7 | 0 | 0 | 0 | 107.5 | E233 L236 R237 V248 C270 H271 | E233-I251 HydrophobicContact CB-CD1 3.9Å; E233-I251 HydrophobicContact CG-CD1 4.14Å; L236-I251 HydrophobicContact CB-CD1 4.46Å; L236-I251 HydrophobicContact CD1-CD1 4.31Å; L236-I251 HydrophobicContact CD1-CG1 4.4Å; L236-I251 HydrophobicContact CD1-CG2 3.82Å; L236-I251 HydrophobicContact CD2-CD1 3.75Å; L236-I251 HydrophobicContact CD2-CG1 3.93Å; L236-I251 HydrophobicContact CG-CD1 4.41Å; R237-I251 HydrophobicContact CG-CD1 4.3Å; V248-I251 HydrophobicContact CG1-CD1 4.28Å; V248-I251 HydrophobicContact CG1-CG1 3.68Å; I251-C270 HydrophobicContact CG2-CB 3.96Å; I251-H271 CarbonylContact C-O 3.53Å; I251-H271 WeakPolarHBondContact CA-O 3.35Å |
| 252 | I | 98.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 54% | 0.544 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120.1 | 176.2 | -58.3 | 175.1 | 0 | 0 | 0 | 108 | C270 H271 | I252-C270 CarbonylContact O-C 3.56Å; I252-C270 VanDerWaalsContact O-CA 3.24Å; I252-C270 WeakPolarHBondContact O-CA 3.41Å; I252-H271 PolarHBondContact N-O 2.94Å; I252-H271 PolarHBondContact O-N 3.48Å |
| 253 | Y | 98.3 | Very high | 93.9 | Very high | 128 Ų | 128 | 54 Ų | 54 | 50% | 0.502 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 135 | 172.8 | 172.6 | -96.4 | 0 | 0 | 0 | 111 | S255 S256 L268 | Y253-S255 WeakPolarHBondContact CE2-O 3.3Å; Y253-S255 VanDerWaalsContact CZ-C 3.44Å; Y253-S255 VanDerWaalsContact CZ-CA 3.47Å; Y253-S255 WeakPolarHBondContact OH-CA 3.3Å; Y253-S256 PolarHBondContact OH-N 3.38Å; Y253-S256 PolarHBondContact OH-OG 2.84Å; Y253-L268 HydrophobicContact CE2-CD2 4.24Å |
| 254 | S | 98 | Very high | 93.6 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -65 | 174.8 | 155.6 | 0 | 0 | 0 | 0 | 110.6 | A269 E332 | S254-A269 PolarHBondContact N-O 3.32Å; S254-E332 VanDerWaalsContact CB-OE2 3.25Å; S254-E332 WeakPolarHBondContact CB-OE2 3.44Å; S254-E332 VanDerWaalsContact OG-CD 3.22Å; S254-E332 PolarHBondContact OG-OE1 3.12Å; S254-E332 PolarHBondContact OG-OE2 3.29Å |
| 255 | S | 97.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 178.9 | -172.5 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | Y253 A269 R328 | Y253-S255 WeakPolarHBondContact CE2-O 3.3Å; Y253-S255 VanDerWaalsContact CZ-C 3.44Å; Y253-S255 VanDerWaalsContact CZ-CA 3.47Å; Y253-S255 WeakPolarHBondContact OH-CA 3.3Å; S255-A269 PolarHBondContact N-O 2.96Å; S255-A269 WeakPolarHBondContact O-CA 3.44Å; S255-A269 VanDerWaalsContact O-CB 3.3Å; S255-A269 WeakPolarHBondContact O-CB 3.46Å; S255-A269 PolarHBondContact O-N 2.85Å; S255-R328 WeakPolarHBondContact OG-CD 3.4Å; S255-R328 PolarHBondContact OG-NH1 2.93Å; S255-R328 VanDerWaalsContact OG-NH1 3.15Å |
| 256 | S | 96.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 156.8 | 172.5 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | Y253 M267 | Y253-S256 PolarHBondContact OH-N 3.38Å; Y253-S256 PolarHBondContact OH-OG 2.84Å; S256-M267 CarbonylContact C-O 3.54Å; S256-M267 WeakPolarHBondContact CA-O 3.42Å; S256-M267 WeakPolarHBondContact CB-O 3.28Å |
| 257 | Q | 94.4 | Very high | 93.2 | Very high | 45 Ų | 45 | 57 Ų | 57 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 132.9 | 179.9 | 171.1 | 165.5 | 69.3 | 0 | 0 | 110.8 | W259 M267 H323 V325 | Q257-W259 PolarHBondContact O-N 2.92Å; Q257-M267 HydrophobicContact CB-CB 4.39Å; Q257-M267 PolarHBondContact N-O 3.48Å; Q257-M267 WeakPolarHBondContact O-CB 3.44Å; Q257-M267 PolarHBondContact O-N 3.23Å; Q257-H323 PolarHBondContact NE2-O 3.05Å; Q257-V325 HydrophobicContact CB-CB 3.98Å; Q257-V325 HydrophobicContact CB-CG1 4.34Å; Q257-V325 HydrophobicContact CB-CG2 4.42Å |
| 258 | H | 93.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127 | 160.7 | 174.1 | -114.6 | 0 | 0 | 0 | 109.3 | M192 S264 S265 | M192-H258 PolarHBondContact SD-CD2 2.68Å; H258-S264 PolarHBondContact NE2-OG 3.12Å; H258-S265 PolarHBondContact CD2-O 3.05Å |
| 259 | W | 91.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 49 Ų | 49 | 24% | 0.239 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.9 | 178.6 | -167.9 | -114.8 | 0 | 0 | 0 | 110 | F136 Q257 F261 S264 S265 M267 A324 | F136-W259 HydrophobicContact CD1-CH2 4.2Å; F136-W259 HydrophobicContact CD1-CZ3 4.15Å; F136-W259 HydrophobicContact CE1-CE3 4.4Å; F136-W259 HydrophobicContact CE1-CH2 4.26Å; F136-W259 AromaticContact CE1-CZ3 3.82Å; F136-W259 HydrophobicContact CE1-CZ3 3.82Å; Q257-W259 PolarHBondContact O-N 2.92Å; W259-F261 VanDerWaalsContact CD1-O 3.24Å; W259-F261 AromaticContact CE2-CD2 3.92Å; W259-F261 HydrophobicContact CZ2-CD2 4.03Å; W259-F261 AromaticContact NE1-CD2 3.98Å; W259-F261 PolarHBondContact O-N 2.99Å; W259-S264 CarbonylContact O-C 3.41Å; W259-S264 WeakPolarHBondContact O-CA 3.39Å; W259-S265 PolarHBondContact N-O 3.07Å; W259-S265 PolarHBondContact O-N 3.44Å; W259-M267 HydrophobicContact CB-CG 3.52Å; W259-M267 HydrophobicContact CB-SD 4Å; W259-M267 HydrophobicContact CG-CG 4.3Å; W259-M267 HydrophobicContact CG-SD 4.45Å; W259-A324 HydrophobicContact CH2-CB 4.21Å; W259-A324 HydrophobicContact CZ3-CB 4.29Å |
| 260 | P | 85.4 | Confident | 93.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -78.2 | -1.4 | -169.2 | 33.6 | -39.3 | 0 | 0 | 0 | 114.2 | L132 F136 A148 | L132-P260 HydrophobicContact CD2-CB 4.2Å; L132-P260 HydrophobicContact CD2-CG 3.96Å; F136-P260 HydrophobicContact CE2-CG 3.89Å; F136-P260 HydrophobicContact CZ-CG 3.56Å; A148-P260 HydrophobicContact CB-CB 4.11Å; A148-P260 HydrophobicContact CB-CG 3.79Å | ||
| 261 | F | 84 | Confident | 93.4 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -117 | 144.7 | -173.2 | -54.4 | -68.6 | 0 | 0 | 0 | 113.3 | L132 R133 F136 W259 | L132-F261 HydrophobicContact CB-CE1 3.82Å; L132-F261 HydrophobicContact CB-CZ 3.67Å; L132-F261 HydrophobicContact CD2-CE1 3.82Å; L132-F261 HydrophobicContact CD2-CE2 4.41Å; L132-F261 HydrophobicContact CD2-CZ 3.56Å; L132-F261 HydrophobicContact CG-CE1 4.02Å; L132-F261 HydrophobicContact CG-CE2 4.47Å; L132-F261 HydrophobicContact CG-CZ 3.5Å; L132-F261 VanDerWaalsContact CG-CZ 3.5Å; R133-F261 HydrophobicContact CB-CE1 4.44Å; R133-F261 HydrophobicContact CB-CZ 4.12Å; R133-F261 HydrophobicContact CG-CD1 3.79Å; R133-F261 HydrophobicContact CG-CD2 4.25Å; R133-F261 HydrophobicContact CG-CE1 3.42Å; R133-F261 VanDerWaalsContact CG-CE1 3.42Å; R133-F261 HydrophobicContact CG-CE2 3.93Å; R133-F261 HydrophobicContact CG-CG 4.17Å; R133-F261 HydrophobicContact CG-CZ 3.49Å; R133-F261 VanDerWaalsContact CG-CZ 3.49Å; F136-F261 HydrophobicContact CD2-CE2 4.09Å; F136-F261 HydrophobicContact CD2-CZ 4.24Å; F136-F261 HydrophobicContact CE2-CE2 4.08Å; F136-F261 HydrophobicContact CE2-CZ 4.3Å; F136-F261 HydrophobicContact CG-CE2 4.36Å; F136-F261 HydrophobicContact CZ-CE2 4.35Å; W259-F261 VanDerWaalsContact CD1-O 3.24Å; W259-F261 AromaticContact CE2-CD2 3.92Å; W259-F261 HydrophobicContact CZ2-CD2 4.03Å; W259-F261 AromaticContact NE1-CD2 3.98Å; W259-F261 PolarHBondContact O-N 2.99Å |
| 262 | P | 75 | Confident | 93.4 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 46% | 0.461 | 21% | 0.205 | S | C | . | . | S | Bend | cis | -74.6 | -28.9 | -18.7 | 29.4 | -32.9 | 0 | 0 | 0 | 112.8 | ||
| 263 | N | 78.4 | Confident | 93.4 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 53% | 0.529 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -128.7 | 32.4 | -169.9 | -70.5 | -33.6 | 0 | 0 | 0 | 113.7 | ||
| 264 | S | 90.6 | Very high | 93.4 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | trans | 66 | 99.9 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 113.7 | M192 S193 H258 W259 | M192-S264 VanDerWaalsContact CA-O 3.32Å; M192-S264 WeakPolarHBondContact CA-O 3.34Å; S193-S264 PolarHBondContact N-O 3.38Å; S193-S264 VanDerWaalsContact N-O 3.07Å; H258-S264 PolarHBondContact NE2-OG 3.12Å; W259-S264 CarbonylContact O-C 3.41Å; W259-S264 WeakPolarHBondContact O-CA 3.39Å | ||
| 265 | S | 94.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | S193 H258 W259 | S193-S265 CarbonylContact O-C 3.57Å; S193-S265 VanDerWaalsContact O-CA 3.26Å; S193-S265 WeakPolarHBondContact O-CA 3.12Å; H258-S265 PolarHBondContact CD2-O 3.05Å; W259-S265 PolarHBondContact N-O 3.07Å; W259-S265 PolarHBondContact O-N 3.44Å |
| 266 | F | 95.9 | Very high | 93.1 | Very high | 70 Ų | 70 | 34.6 Ų | 34.6 | 31% | 0.307 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 98.3 | 168.2 | -177.9 | -125.6 | 0 | 0 | 0 | 108.2 | M192 S193 V195 L268 | M192-F266 HydrophobicContact CB-CB 3.89Å; M192-F266 HydrophobicContact CE-CB 4.32Å; M192-F266 HydrophobicContact CE-CD2 4.43Å; M192-F266 HydrophobicContact CE-CG 4.44Å; M192-F266 HydrophobicContact SD-CB 4.3Å; S193-F266 PolarHBondContact O-N 3.33Å; V195-F266 PolarHBondContact N-O 3.2Å; F266-L268 HydrophobicContact CD1-CD1 4.17Å; F266-L268 HydrophobicContact CD1-CG 4.2Å; F266-L268 HydrophobicContact CE1-CD1 4.21Å; F266-L268 HydrophobicContact CE1-CD2 3.81Å; F266-L268 HydrophobicContact CE1-CG 4.01Å; F266-L268 HydrophobicContact CZ-CD2 4.22Å |
| 267 | M | 96.8 | Very high | 92.9 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125.1 | -176.9 | -50.3 | -66.3 | -69.4 | 0 | 0 | 109.4 | V195 I197 A223 S256 Q257 W259 V325 | V195-M267 HydrophobicContact CB-CE 4.37Å; V195-M267 HydrophobicContact CB-SD 3.65Å; V195-M267 HydrophobicContact CG1-CE 3.58Å; V195-M267 HydrophobicContact CG1-SD 3.5Å; V195-M267 VanDerWaalsContact CG1-SD 3.5Å; V195-M267 HydrophobicContact CG2-SD 4.27Å; V195-M267 CarbonylContact O-C 3.56Å; V195-M267 WeakPolarHBondContact O-CA 3.44Å; I197-M267 HydrophobicContact CB-CE 3.95Å; I197-M267 HydrophobicContact CD1-CE 4.1Å; I197-M267 HydrophobicContact CG2-CB 4.22Å; I197-M267 HydrophobicContact CG2-CE 4.11Å; A223-M267 HydrophobicContact CB-CE 4.32Å; S256-M267 CarbonylContact C-O 3.54Å; S256-M267 WeakPolarHBondContact CA-O 3.42Å; S256-M267 WeakPolarHBondContact CB-O 3.28Å; Q257-M267 HydrophobicContact CB-CB 4.39Å; Q257-M267 PolarHBondContact N-O 3.48Å; Q257-M267 WeakPolarHBondContact O-CB 3.44Å; Q257-M267 PolarHBondContact O-N 3.23Å; W259-M267 HydrophobicContact CB-CG 3.52Å; W259-M267 HydrophobicContact CB-SD 4Å; W259-M267 HydrophobicContact CG-CG 4.3Å; W259-M267 HydrophobicContact CG-SD 4.45Å; M267-V325 HydrophobicContact CB-CG1 4.16Å |
| 268 | L | 98.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 41 Ų | 41 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 108.5 | 175.7 | -73 | 149.6 | 0 | 0 | 0 | 107.9 | V195 I197 L232 Y253 F266 | V195-L268 PolarHBondContact O-N 3.37Å; I197-L268 PolarHBondContact N-O 2.78Å; L232-L268 HydrophobicContact CD1-CB 3.82Å; L232-L268 HydrophobicContact CD1-CD1 3.8Å; L232-L268 HydrophobicContact CD1-CD2 3.94Å; L232-L268 HydrophobicContact CD1-CG 4.05Å; L232-L268 HydrophobicContact CG-CB 4.36Å; L232-L268 HydrophobicContact CG-CD1 4.32Å; Y253-L268 HydrophobicContact CE2-CD2 4.24Å; F266-L268 HydrophobicContact CD1-CD1 4.17Å; F266-L268 HydrophobicContact CD1-CG 4.2Å; F266-L268 HydrophobicContact CE1-CD1 4.21Å; F266-L268 HydrophobicContact CE1-CD2 3.81Å; F266-L268 HydrophobicContact CE1-CG 4.01Å; F266-L268 HydrophobicContact CZ-CD2 4.22Å |
| 269 | A | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I197 S254 S255 V325 L329 | I197-A269 HydrophobicContact CG2-CB 3.72Å; I197-A269 CarbonylContact O-C 3.59Å; I197-A269 VanDerWaalsContact O-CA 3.29Å; I197-A269 WeakPolarHBondContact O-CA 3.17Å; S254-A269 PolarHBondContact N-O 3.32Å; S255-A269 PolarHBondContact N-O 2.96Å; S255-A269 WeakPolarHBondContact O-CA 3.44Å; S255-A269 VanDerWaalsContact O-CB 3.3Å; S255-A269 WeakPolarHBondContact O-CB 3.46Å; S255-A269 PolarHBondContact O-N 2.85Å; A269-V325 HydrophobicContact CB-CG1 4.48Å; A269-V325 HydrophobicContact CB-CG2 3.34Å; A269-L329 HydrophobicContact CB-CD1 4.03Å; A269-L329 HydrophobicContact CB-CD2 4.02Å; A269-L329 HydrophobicContact CB-CG 4.12Å |
| 270 | C | 98.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.1 | -177.7 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | I197 V198 L199 L236 I251 I252 | I197-C270 PolarHBondContact O-N 3.3Å; V198-C270 VanDerWaalsContact CA-O 3.3Å; V198-C270 WeakPolarHBondContact CA-O 3.31Å; L199-C270 PolarHBondContact N-O 3.08Å; L236-C270 HydrophobicContact CD1-CB 3.49Å; L236-C270 VanDerWaalsContact CD1-CB 3.49Å; I251-C270 HydrophobicContact CG2-CB 3.96Å; I252-C270 CarbonylContact O-C 3.56Å; I252-C270 VanDerWaalsContact O-CA 3.24Å; I252-C270 WeakPolarHBondContact O-CA 3.41Å |
| 271 | H | 98.7 | Very high | 93.7 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.7 | 158.6 | -67 | -87 | 0 | 0 | 0 | 108.4 | I251 I252 L329 E332 | I251-H271 CarbonylContact C-O 3.53Å; I251-H271 WeakPolarHBondContact CA-O 3.35Å; I252-H271 PolarHBondContact N-O 2.94Å; I252-H271 PolarHBondContact O-N 3.48Å; H271-L329 PolarHBondContact CE1-O 3.28Å; H271-L329 VanDerWaalsContact CE1-O 3.3Å; H271-L329 WeakPolarHBondContact NE2-CD2 3.44Å; H271-E332 IonicContact CD2-OE2 3.58Å; H271-E332 IonicContact CE1-OE2 2.84Å; H271-E332 IonicContact NE2-OE2 3.2Å; H271-E332 PolarHBondContact NE2-OE2 3.12Å |
| 272 | A | 98.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V198 L199 V200 S201 L236 V248 S250 | V198-A272 HydrophobicContact CG2-CB 3.38Å; L199-A272 PolarHBondContact O-N 3.27Å; V200-A272 CarbonylContact C-O 3.49Å; V200-A272 WeakPolarHBondContact CA-O 3.42Å; V200-A272 HydrophobicContact CG2-CB 4.39Å; S201-A272 PolarHBondContact N-O 2.84Å; L236-A272 HydrophobicContact CD2-CB 4.22Å; V248-A272 HydrophobicContact CG1-CB 3.83Å; V248-A272 HydrophobicContact CG2-CB 4.35Å; S250-A272 WeakPolarHBondContact O-CA 3.33Å |
| 273 | T | 98.3 | Very high | 95.5 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 145.9 | 174.4 | 66 | 0 | 0 | 0 | 0 | 111.2 | S201 Q249 S250 | S201-T273 VanDerWaalsContact O-CA 3.32Å; S201-T273 WeakPolarHBondContact O-CA 3.45Å; Q249-T273 PolarHBondContact N-O 3.07Å; S250-T273 PolarHBondContact O-N 3.23Å; S250-T273 PolarHBondContact OG-OG1 3.08Å |
| 274 | V | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 161.5 | 172.2 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | V200 S201 D202 L246 P276 W293 | V200-V274 HydrophobicContact CG1-CB 4.43Å; V200-V274 HydrophobicContact CG1-CG1 3.47Å; V200-V274 VanDerWaalsContact CG1-CG1 3.47Å; V200-V274 HydrophobicContact CG1-CG2 4.16Å; S201-V274 PolarHBondContact O-N 3.46Å; D202-V274 HydrophobicContact CB-CG2 4.15Å; L246-V274 HydrophobicContact CB-CG1 4.1Å; L246-V274 HydrophobicContact CD1-CG1 4.26Å; L246-V274 HydrophobicContact CD1-CG2 4.4Å; V274-P276 WeakPolarHBondContact O-CD 3.31Å; V274-W293 HydrophobicContact CG2-CH2 3.68Å; V274-W293 HydrophobicContact CG2-CZ2 4.1Å |
| 275 | S | 96.3 | Very high | 96.7 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | trans | -65.9 | 127.5 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | A277 H278 S279 | S275-A277 PolarHBondContact O-N 2.72Å; S275-A277 PolarHBondContact OG-N 2.97Å; S275-H278 CarbonylContact O-C 3.44Å; S275-H278 VanDerWaalsContact O-C 3.31Å; S275-H278 PolarHBondContact O-N 2.75Å; S275-S279 PolarHBondContact O-N 3.41Å | ||
| 276 | P | 92.8 | Very high | 96.6 | Very high | 84 Ų | 84 | 60.1 Ų | 60.1 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -57.8 | -32.5 | 173 | -17.8 | 25.8 | 0 | 0 | 0 | 112.4 | D202 V274 H278 S279 | D202-P276 WeakPolarHBondContact O-CG 3.26Å; V274-P276 WeakPolarHBondContact O-CD 3.31Å; P276-H278 VanDerWaalsContact C-N 3.26Å; P276-H278 PolarHBondContact O-N 3.5Å; P276-S279 PolarHBondContact O-OG 3.13Å |
| 277 | A | 93.5 | Very high | 96.5 | Very high | 81 Ų | 81 | 61.1 Ų | 61.1 | 67% | 0.669 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -72.1 | -16.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S275 | S275-A277 PolarHBondContact O-N 2.72Å; S275-A277 PolarHBondContact OG-N 2.97Å |
| 278 | H | 92.9 | Very high | 96.5 | Very high | 147 Ų | 147 | 60.5 Ų | 60.5 | 68% | 0.681 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -127.6 | 46.7 | -179.9 | -56.4 | -67.5 | 0 | 0 | 0 | 110.6 | L246 S275 P276 | L246-H278 WeakPolarHBondContact CD2-O 3.4Å; S275-H278 CarbonylContact O-C 3.44Å; S275-H278 VanDerWaalsContact O-C 3.31Å; S275-H278 PolarHBondContact O-N 2.75Å; P276-H278 VanDerWaalsContact C-N 3.26Å; P276-H278 PolarHBondContact O-N 3.5Å |
| 279 | S | 94.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 63.7 Ų | 63.7 | 16% | 0.161 | 34% | 0.34 | C | S | . | . | trans | -100.9 | 14.2 | -177.1 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | S275 P276 L281 W293 | S275-S279 PolarHBondContact O-N 3.41Å; P276-S279 PolarHBondContact O-OG 3.13Å; S279-L281 PolarHBondContact O-N 3.3Å; S279-W293 PolarHBondContact O-NE1 2.87Å | ||
| 280 | Q | 96.9 | Very high | 96.3 | Very high | 175 Ų | 175 | 66 Ų | 66 | 82% | 0.818 | 35% | 0.353 | S | S | * | . | trans | -72.6 | 123.5 | 174.9 | -176.8 | 175 | 2.2 | 0 | 0 | 109.7 | ||||
| 281 | L | 97.5 | Very high | 96.2 | Very high | 43 Ų | 43 | 66.2 Ų | 66.2 | 23% | 0.225 | 35% | 0.354 | C | S | . | . | trans | -79.4 | 138.2 | -179.5 | -56.3 | 177.7 | 0 | 0 | 0 | 110.8 | L207 V244 L246 S279 V283 A291 W293 | L207-L281 HydrophobicContact CD1-CD1 3.75Å; L207-L281 HydrophobicContact CD1-CD2 3.84Å; L207-L281 HydrophobicContact CD1-CG 4.47Å; L207-L281 HydrophobicContact CD2-CD2 3.94Å; V244-L281 HydrophobicContact CB-CD2 4.33Å; L246-L281 HydrophobicContact CD1-CD2 3.72Å; L246-L281 HydrophobicContact CD2-CD2 4.3Å; L246-L281 HydrophobicContact CG-CD2 4.11Å; S279-L281 PolarHBondContact O-N 3.3Å; L281-V283 HydrophobicContact CB-CG2 4.07Å; L281-A291 WeakPolarHBondContact CD1-O 3.48Å; L281-W293 HydrophobicContact CD2-CZ2 4.16Å | ||
| 282 | N | 97.6 | Very high | 96.2 | Very high | 124 Ų | 124 | 69.1 Ų | 69.1 | 66% | 0.663 | 36% | 0.364 | S | S | * | . | trans | -122.4 | 88.1 | 164.2 | 179.8 | 34.1 | 0 | 0 | 0 | 107.4 | V244 G245 | V244-N282 CarbonylContact C-O 3.11Å; V244-N282 WeakPolarHBondContact CA-O 3.27Å; V244-N282 PolarHBondContact O-N 3.28Å; G245-N282 PolarHBondContact N-O 3.16Å | ||
| 283 | V | 97.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 70.3 Ų | 70.3 | 14% | 0.139 | 37% | 0.368 | C | S | . | . | trans | -78.3 | 127.4 | -170.8 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | E243 L281 H285 L288 A291 | E243-V283 WeakPolarHBondContact O-CA 3.24Å; L281-V283 HydrophobicContact CB-CG2 4.07Å; V283-H285 PolarHBondContact O-N 2.87Å; V283-L288 HydrophobicContact CG1-CB 3.94Å; V283-L288 HydrophobicContact CG1-CD1 4.42Å; V283-A291 HydrophobicContact CG1-CB 4.12Å; V283-A291 HydrophobicContact CG2-CB 3.9Å | ||
| 284 | D | 97.4 | Very high | 96.2 | Very high | 54 Ų | 54 | 68 Ų | 68 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | -77.2 | 106.1 | 168.5 | -173.3 | 1.1 | 0 | 0 | 0 | 110.4 | E243 L286 E287 L288 | E243-D284 PolarHBondContact O-N 2.99Å; D284-L286 PolarHBondContact O-N 3.37Å; D284-L286 WeakPolarHBondContact OD1-CB 3.08Å; D284-L286 PolarHBondContact OD1-N 3.17Å; D284-E287 PolarHBondContact O-N 3.38Å; D284-L288 PolarHBondContact O-N 2.95Å | ||
| 285 | H | 96.4 | Very high | 96.1 | Very high | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.625 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.6 | -179.5 | -67.9 | -59.5 | 0 | 0 | 0 | 114.7 | V283 L288 | V283-H285 PolarHBondContact O-N 2.87Å; H285-L288 VanDerWaalsContact CA-O 3.31Å; H285-L288 WeakPolarHBondContact CA-O 3.17Å; H285-L288 PolarHBondContact ND1-O 3.15Å |
| 286 | L | 94 | Very high | 96.1 | Very high | 160 Ų | 160 | 70.3 Ų | 70.3 | 84% | 0.838 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -33.1 | 168.5 | -63.4 | 177 | 0 | 0 | 0 | 111.4 | D284 | D284-L286 PolarHBondContact O-N 3.37Å; D284-L286 WeakPolarHBondContact OD1-CB 3.08Å; D284-L286 PolarHBondContact OD1-N 3.17Å |
| 287 | E | 92.6 | Very high | 96.2 | Very high | 91 Ų | 91 | 72.4 Ų | 72.4 | 43% | 0.425 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -46.9 | -178.5 | -58.7 | -158.4 | 162.8 | 0 | 0 | 112.6 | D284 | D284-E287 PolarHBondContact O-N 3.38Š|
| 288 | L | 96.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | trans | -105.8 | 133.6 | -176.9 | -62.2 | -174.5 | 0 | 0 | 0 | 111.9 | Q211 L222 E243 V244 V283 D284 H285 A291 | Q211-L288 HydrophobicContact CG-CD2 3.91Å; L222-L288 HydrophobicContact CD2-CD1 4.11Å; E243-L288 HydrophobicContact CB-CD1 3.86Å; E243-L288 HydrophobicContact CB-CG 4.37Å; E243-L288 HydrophobicContact CG-CD1 4.38Å; E243-L288 HydrophobicContact CG-CG 4.48Å; V244-L288 HydrophobicContact CG1-CD1 4.07Å; V283-L288 HydrophobicContact CG1-CB 3.94Å; V283-L288 HydrophobicContact CG1-CD1 4.42Å; D284-L288 PolarHBondContact O-N 2.95Å; H285-L288 VanDerWaalsContact CA-O 3.31Å; H285-L288 WeakPolarHBondContact CA-O 3.17Å; H285-L288 PolarHBondContact ND1-O 3.15Å; L288-A291 HydrophobicContact CD1-CB 3.96Å | ||
| 289 | E | 96.3 | Very high | 96.5 | Very high | 95 Ų | 95 | 64.8 Ų | 64.8 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -72.2 | -38.6 | 169.7 | -174.4 | -177.3 | 136 | 0 | 0 | 110.9 | R210 S212 | R210-E289 HydrophobicContact CG-CB 4.43Å; R210-E289 IonicContact CZ-OE1 2.72Å; R210-E289 VanDerWaalsContact CZ-OE1 3.31Å; R210-E289 IonicContact CZ-OE2 2.78Å; R210-E289 IonicContact NE-OE1 2.82Å; R210-E289 PolarHBondContact NE-OE1 3.03Å; R210-E289 IonicContact NE-OE2 2.83Å; R210-E289 IonicContact NH1-OE2 3.39Å; R210-E289 IonicContact NH2-OE1 3.89Å; R210-E289 PolarHBondContact NH2-OE1 2.84Å; R210-E289 IonicContact NH2-OE2 3.89Å; R210-E289 PolarHBondContact NH2-OE2 3Å; R210-E289 PolarHBondContact O-N 3.07Å; S212-E289 VanDerWaalsContact CA-OE2 3.32Å; S212-E289 WeakPolarHBondContact CA-OE2 3.41Å |
| 290 | D | 96.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 147.7 | 177.8 | -175.3 | 38.5 | 0 | 0 | 0 | 111 | G209 R210 Y219 | G209-D290 CarbonylContact C-O 3.57Å; G209-D290 WeakPolarHBondContact CA-O 3.36Å; R210-D290 HydrophobicContact CG-CB 3.91Å; R210-D290 PolarHBondContact N-O 2.78Å; R210-D290 PolarHBondContact O-N 2.71Å; Y219-D290 HydrophobicContact CE1-CB 4.29Å; Y219-D290 WeakPolarHBondContact CE1-OD2 3.41Å; Y219-D290 VanDerWaalsContact CZ-OD2 3.3Å; Y219-D290 PolarHBondContact OH-OD2 2.88Å |
| 291 | A | 98 | Very high | 96.3 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 132.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L207 L208 V244 L281 V283 L288 | L207-A291 HydrophobicContact CD1-CB 4.4Å; L208-A291 WeakPolarHBondContact O-CA 3.38Å; V244-A291 HydrophobicContact CG1-CB 3.84Å; L281-A291 WeakPolarHBondContact CD1-O 3.48Å; V283-A291 HydrophobicContact CG1-CB 4.12Å; V283-A291 HydrophobicContact CG2-CB 3.9Å; L288-A291 HydrophobicContact CD1-CB 3.96Å |
| 292 | R | 97.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 31% | 0.306 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 159 | -178.9 | 68.8 | -172.4 | -176.3 | 104.3 | -4.3 | 112.7 | L207 L208 Y219 F294 E298 | L207-R292 WeakPolarHBondContact CD1-O 3.48Å; L208-R292 PolarHBondContact N-O 3.48Å; L208-R292 PolarHBondContact O-N 3.18Å; Y219-R292 HydrophobicContact CE1-CG 4.47Å; R292-F294 HydrophobicContact CG-CD2 4.12Å; R292-F294 HydrophobicContact CG-CE1 4.46Å; R292-F294 HydrophobicContact CG-CE2 3.39Å; R292-F294 HydrophobicContact CG-CZ 3.61Å; R292-F294 WeakPolarHBondContact O-CD2 3.45Å; R292-F294 VanDerWaalsContact O-CE2 3.24Å; R292-F294 WeakPolarHBondContact O-CE2 3.32Å; R292-E298 IonicContact CZ-OE1 3.92Å; R292-E298 IonicContact NH1-OE1 2.85Å; R292-E298 PolarHBondContact NH1-OE1 2.85Å; R292-E298 IonicContact NH2-OE1 2.98Å |
| 293 | W | 98.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 135.6 | 171.2 | -65.9 | 107.9 | 0 | 0 | 0 | 110.8 | V200 D202 R205 L207 L246 V274 S279 L281 | V200-W293 HydrophobicContact CG1-CH2 4.24Å; D202-W293 HydrophobicContact CB-CH2 3.92Å; D202-W293 HydrophobicContact CB-CZ2 4.32Å; D202-W293 HydrophobicContact CB-CZ3 4.03Å; R205-W293 HydrophobicContact CB-CB 4.08Å; R205-W293 HydrophobicContact CB-CD2 4.46Å; R205-W293 HydrophobicContact CB-CE3 3.89Å; L207-W293 HydrophobicContact CB-CD2 4.47Å; L207-W293 HydrophobicContact CB-CE3 3.89Å; L207-W293 HydrophobicContact CB-CH2 4.03Å; L207-W293 HydrophobicContact CB-CZ3 3.65Å; L207-W293 HydrophobicContact CD1-CD2 4.48Å; L246-W293 HydrophobicContact CD1-CH2 4.08Å; L246-W293 HydrophobicContact CD1-CZ2 3.68Å; V274-W293 HydrophobicContact CG2-CH2 3.68Å; V274-W293 HydrophobicContact CG2-CZ2 4.1Å; S279-W293 PolarHBondContact O-NE1 2.87Å; L281-W293 HydrophobicContact CD2-CZ2 4.16Å |
| 294 | F | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.4 | 176.9 | -70.3 | -96.6 | 0 | 0 | 0 | 110.3 | R205 C206 L208 Y219 R292 E298 I299 V317 | R205-F294 VanDerWaalsContact CA-O 3.26Å; R205-F294 WeakPolarHBondContact CA-O 3.09Å; R205-F294 WeakPolarHBondContact CB-O 3.35Å; C206-F294 PolarHBondContact N-O 3.35Å; C206-F294 PolarHBondContact O-N 3.09Å; L208-F294 HydrophobicContact CB-CD2 3.74Å; L208-F294 HydrophobicContact CB-CE2 3.58Å; L208-F294 HydrophobicContact CB-CZ 4.47Å; L208-F294 HydrophobicContact CD1-CD2 3.83Å; L208-F294 HydrophobicContact CD1-CE2 4.1Å; L208-F294 HydrophobicContact CD1-CG 4.1Å; L208-F294 HydrophobicContact CG-CD2 3.83Å; L208-F294 HydrophobicContact CG-CE2 4.15Å; L208-F294 HydrophobicContact CG-CG 4.49Å; Y219-F294 AromaticContact CD1-CE2 3.83Å; Y219-F294 HydrophobicContact CD1-CE2 3.83Å; Y219-F294 AromaticContact CD1-CZ 3.62Å; Y219-F294 HydrophobicContact CD1-CZ 3.62Å; Y219-F294 HydrophobicContact CD2-CZ 4.13Å; Y219-F294 HydrophobicContact CE1-CE2 4.29Å; Y219-F294 AromaticContact CE1-CZ 3.94Å; Y219-F294 HydrophobicContact CE1-CZ 3.94Å; Y219-F294 HydrophobicContact CE2-CZ 4.42Å; Y219-F294 HydrophobicContact CG-CE2 4.24Å; Y219-F294 AromaticContact CG-CZ 3.72Å; Y219-F294 HydrophobicContact CG-CZ 3.72Å; R292-F294 HydrophobicContact CG-CD2 4.12Å; R292-F294 HydrophobicContact CG-CE1 4.46Å; R292-F294 HydrophobicContact CG-CE2 3.39Å; R292-F294 HydrophobicContact CG-CZ 3.61Å; R292-F294 WeakPolarHBondContact O-CD2 3.45Å; R292-F294 VanDerWaalsContact O-CE2 3.24Å; R292-F294 WeakPolarHBondContact O-CE2 3.32Å; F294-E298 WeakPolarHBondContact CA-OE2 3.15Å; F294-E298 HydrophobicContact CD1-CB 4.21Å; F294-I299 HydrophobicContact CB-CD1 3.78Å; F294-I299 HydrophobicContact CB-CG1 4.01Å; F294-I299 HydrophobicContact CD1-CD1 4.49Å; F294-I299 HydrophobicContact CG-CD1 4.23Å; F294-V317 HydrophobicContact CE1-CG1 3.81Å; F294-V317 HydrophobicContact CE1-CG2 4.16Å; F294-V317 HydrophobicContact CZ-CG1 4.45Å |
| 295 | T | 97.3 | Very high | 94.6 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | trans | -75.9 | 165 | 172.3 | 80.3 | 0 | 0 | 0 | 0 | 111.3 | R205 E297 E298 I299 | R205-T295 HydrophobicContact CG-CG2 4.41Å; T295-E297 VanDerWaalsContact C-N 3.25Å; T295-E297 WeakPolarHBondContact CB-OE2 3.23Å; T295-E297 PolarHBondContact O-N 2.85Å; T295-E297 PolarHBondContact OG1-N 2.88Å; T295-E297 PolarHBondContact OG1-OE2 3.32Å; T295-E298 PolarHBondContact N-OE2 3.19Å; T295-E298 PolarHBondContact O-N 3.33Å; T295-E298 PolarHBondContact OG1-N 3.45Å; T295-I299 WeakPolarHBondContact O-CG1 3.4Å; T295-I299 PolarHBondContact O-N 2.93Å | ||
| 296 | E | 96.4 | Very high | 93.3 | Very high | 29 Ų | 29 | 64.1 Ų | 64.1 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -36.1 | 175.2 | 178.7 | 169.4 | -160.9 | 0 | 0 | 112.7 | I299 T300 W333 Q337 H338 | E296-I299 PolarHBondContact O-N 3.36Å; E296-T300 VanDerWaalsContact O-CB 3.28Å; E296-T300 WeakPolarHBondContact O-CB 3.38Å; E296-T300 PolarHBondContact O-N 2.88Å; E296-T300 PolarHBondContact O-OG1 2.92Å; E296-W333 HydrophobicContact CB-CH2 4.09Å; E296-W333 HydrophobicContact CB-CZ3 4.39Å; E296-Q337 VanDerWaalsContact OE2-CB 3.29Å; E296-Q337 WeakPolarHBondContact OE2-CB 3.23Å; E296-H338 IonicContact OE1-CE1 3.81Å; E296-H338 PolarHBondContact OE1-CE1 2.62Å; E296-H338 IonicContact OE1-CG 3.28Å; E296-H338 IonicContact OE1-ND1 3.74Å; E296-H338 PolarHBondContact OE1-ND1 3.27Å |
| 297 | E | 95.4 | Very high | 91.9 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 60% | 0.603 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 175.8 | -58.3 | 77.5 | -169.2 | 0 | 0 | 111 | T295 I299 T300 C301 | T295-E297 VanDerWaalsContact C-N 3.25Å; T295-E297 WeakPolarHBondContact CB-OE2 3.23Å; T295-E297 PolarHBondContact O-N 2.85Å; T295-E297 PolarHBondContact OG1-N 2.88Å; T295-E297 PolarHBondContact OG1-OE2 3.32Å; E297-I299 PolarHBondContact O-N 3.37Å; E297-T300 PolarHBondContact O-N 3.25Å; E297-C301 PolarHBondContact O-N 3.48Å; E297-C301 PolarHBondContact O-SG 3.05Å |
| 298 | E | 95.7 | Very high | 90.5 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 176.4 | -73.6 | -178.8 | 114.6 | 0 | 0 | 111.4 | R292 F294 T295 T300 C301 A302 | R292-E298 IonicContact CZ-OE1 3.92Å; R292-E298 IonicContact NH1-OE1 2.85Å; R292-E298 PolarHBondContact NH1-OE1 2.85Å; R292-E298 IonicContact NH2-OE1 2.98Å; F294-E298 WeakPolarHBondContact CA-OE2 3.15Å; F294-E298 HydrophobicContact CD1-CB 4.21Å; T295-E298 PolarHBondContact N-OE2 3.19Å; T295-E298 PolarHBondContact O-N 3.33Å; T295-E298 PolarHBondContact OG1-N 3.45Å; E298-T300 VanDerWaalsContact C-N 3.33Å; E298-T300 PolarHBondContact O-N 3.02Å; E298-C301 PolarHBondContact O-N 3.02Å; E298-A302 WeakPolarHBondContact O-CB 3.46Å; E298-A302 PolarHBondContact O-N 3.49Å |
| 299 | I | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.5 | -66.5 | -59.6 | 0 | 0 | 0 | 110.9 | L208 F294 T295 E296 E297 C301 A302 L303 L319 I330 W333 | L208-I299 HydrophobicContact CD1-CD1 3.65Å; F294-I299 HydrophobicContact CB-CD1 3.78Å; F294-I299 HydrophobicContact CB-CG1 4.01Å; F294-I299 HydrophobicContact CD1-CD1 4.49Å; F294-I299 HydrophobicContact CG-CD1 4.23Å; T295-I299 WeakPolarHBondContact O-CG1 3.4Å; T295-I299 PolarHBondContact O-N 2.93Å; E296-I299 PolarHBondContact O-N 3.36Å; E297-I299 PolarHBondContact O-N 3.37Å; I299-C301 VanDerWaalsContact C-N 3.35Å; I299-C301 PolarHBondContact O-N 2.9Å; I299-A302 PolarHBondContact O-N 2.89Å; I299-L303 HydrophobicContact CG2-CD1 4Å; I299-L303 HydrophobicContact CG2-CG 4.39Å; I299-L303 VanDerWaalsContact O-CG 3.31Å; I299-L303 WeakPolarHBondContact O-CG 3.37Å; I299-L303 PolarHBondContact O-N 3.45Å; I299-L319 HydrophobicContact CG2-CD1 4.49Å; I299-I330 HydrophobicContact CD1-CG2 4.33Å; I299-I330 HydrophobicContact CG2-CG2 3.55Å; I299-W333 HydrophobicContact CB-CZ3 4.25Å; I299-W333 HydrophobicContact CG1-CZ3 3.89Å; I299-W333 HydrophobicContact CG2-CZ3 4.44Å |
| 300 | T | 94.4 | Very high | 86.9 | Confident | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.258 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 178.9 | -67 | 0 | 0 | 0 | 0 | 112.1 | E296 E297 E298 K334 | E296-T300 VanDerWaalsContact O-CB 3.28Å; E296-T300 WeakPolarHBondContact O-CB 3.38Å; E296-T300 PolarHBondContact O-N 2.88Å; E296-T300 PolarHBondContact O-OG1 2.92Å; E297-T300 PolarHBondContact O-N 3.25Å; E298-T300 VanDerWaalsContact C-N 3.33Å; E298-T300 PolarHBondContact O-N 3.02Å; T300-K334 WeakPolarHBondContact OG1-CE 3.43Å; T300-K334 PolarHBondContact OG1-NZ 2.88Å |
| 301 | C | 92.8 | Very high | 84.8 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 60% | 0.595 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 172.1 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | E297 E298 I299 L303 Q304 | E297-C301 PolarHBondContact O-N 3.48Å; E297-C301 PolarHBondContact O-SG 3.05Å; E298-C301 PolarHBondContact O-N 3.02Å; I299-C301 VanDerWaalsContact C-N 3.35Å; I299-C301 PolarHBondContact O-N 2.9Å; C301-L303 VanDerWaalsContact C-N 3.31Å; C301-L303 PolarHBondContact O-N 3.39Å; C301-Q304 WeakPolarHBondContact O-CB 3.42Å; C301-Q304 PolarHBondContact O-N 3.2Å; C301-Q304 VanDerWaalsContact O-N 3.08Å |
| 302 | A | 92.4 | Very high | 82.7 | Confident | 5 Ų | 5 | 83.4 Ų | 83.4 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -34.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | E298 I299 Q304 V305 V317 L319 | E298-A302 WeakPolarHBondContact O-CB 3.46Å; E298-A302 PolarHBondContact O-N 3.49Å; I299-A302 PolarHBondContact O-N 2.89Å; A302-Q304 PolarHBondContact O-N 2.93Å; A302-V305 WeakPolarHBondContact O-CB 3.49Å; A302-V305 PolarHBondContact O-N 3.47Å; A302-V305 VanDerWaalsContact O-N 3.09Å; A302-V317 HydrophobicContact CB-CB 4.47Å; A302-V317 HydrophobicContact CB-CG1 4.02Å; A302-L319 HydrophobicContact CB-CD1 4.02Å; A302-L319 HydrophobicContact CB-CD2 4.3Å; A302-L319 HydrophobicContact CB-CG 3.88Å |
| 303 | L | 91.3 | Very high | 80.7 | Confident | 40 Ų | 40 | 86.8 Ų | 86.8 | 21% | 0.209 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.3 | 174.7 | -74.8 | 168.2 | 0 | 0 | 0 | 113.8 | I299 C301 V305 L319 M331 K334 | I299-L303 HydrophobicContact CG2-CD1 4Å; I299-L303 HydrophobicContact CG2-CG 4.39Å; I299-L303 VanDerWaalsContact O-CG 3.31Å; I299-L303 WeakPolarHBondContact O-CG 3.37Å; I299-L303 PolarHBondContact O-N 3.45Å; C301-L303 VanDerWaalsContact C-N 3.31Å; C301-L303 PolarHBondContact O-N 3.39Å; L303-V305 VanDerWaalsContact C-N 3.31Å; L303-L319 HydrophobicContact CD2-CD1 3.68Å; L303-L319 HydrophobicContact CG-CD1 3.77Å; L303-M331 HydrophobicContact CD1-SD 3.79Å; L303-M331 HydrophobicContact CD2-SD 3.89Å; L303-K334 HydrophobicContact CD1-CD 3.69Å |
| 304 | Q | 88.1 | Confident | 78.6 | Confident | 136 Ų | 136 | 96.9 Ų | 96.9 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -13.8 | 174.9 | -57.5 | -56.1 | -35.6 | 0 | 0 | 112.9 | C301 A302 K306 | C301-Q304 WeakPolarHBondContact O-CB 3.42Å; C301-Q304 PolarHBondContact O-N 3.2Å; C301-Q304 VanDerWaalsContact O-N 3.08Å; A302-Q304 PolarHBondContact O-N 2.93Å; Q304-K306 PolarHBondContact O-N 3.34Å |
| 305 | V | 82.7 | Confident | 76.9 | Confident | 50 Ų | 50 | 100.4 Ų | 100.4 | 30% | 0.303 | 49% | 0.487 | S | S | . | . | trans | -80 | 101.5 | -179.2 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | A302 L303 A307 A316 W318 | A302-V305 WeakPolarHBondContact O-CB 3.49Å; A302-V305 PolarHBondContact O-N 3.47Å; A302-V305 VanDerWaalsContact O-N 3.09Å; L303-V305 VanDerWaalsContact C-N 3.31Å; V305-A307 WeakPolarHBondContact CG1-O 3.35Å; V305-A316 HydrophobicContact CG2-CB 4.44Å; V305-W318 HydrophobicContact CB-CB 4.09Å; V305-W318 HydrophobicContact CG1-CB 3.82Å | ||
| 306 | K | 69.3 | Low | 75.9 | Confident | 202 Ų | 202 | 100.3 Ų | 100.3 | 88% | 0.878 | 49% | 0.491 | S | S | * | . | trans | -82.7 | -18.9 | -174.9 | -65.5 | -177 | -179.2 | 178 | 0 | 114.8 | Q304 | Q304-K306 PolarHBondContact O-N 3.34Š| ||
| 307 | A | 64.1 | Low | 75.5 | Confident | 63 Ų | 63 | 100.5 Ų | 100.5 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -143.7 | 153.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V305 | V305-A307 WeakPolarHBondContact CG1-O 3.35Š|
| 308 | P | 62.6 | Low | 75.3 | Confident | 74 Ų | 74 | 95 Ų | 95 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 136.1 | 175.2 | -19.5 | 29.9 | 0 | 0 | 0 | 110.2 | W310 W318 | P308-W310 PolarHBondContact O-N 3Å; P308-W318 HydrophobicContact CB-CH2 4.36Å; P308-W318 HydrophobicContact CB-CZ2 3.96Å; P308-W318 HydrophobicContact CG-CH2 3.97Å; P308-W318 HydrophobicContact CG-CZ2 4.09Å; P308-W318 HydrophobicContact CG-CZ3 4.43Å |
| 309 | P | 61 | Low | 75.1 | Confident | 42 Ų | 42 | 92.5 Ų | 92.5 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 133.3 | 177.7 | 21.7 | -29.7 | 0 | 0 | 0 | 110.8 | P315 | P309-P315 HydrophobicContact CG-CB 4.42Š|
| 310 | W | 56.3 | Low | 74.9 | Confident | 234 Ų | 234 | 93 Ų | 93 | 89% | 0.886 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 151.5 | 172.4 | -81.1 | 80.3 | 0 | 0 | 0 | 110.7 | P308 D312 | P308-W310 PolarHBondContact O-N 3Å; W310-D312 PolarHBondContact O-N 3.38Å |
| 311 | R | 54.4 | Low | 74.5 | Confident | 245 Ų | 245 | 92.2 Ų | 92.2 | 93% | 0.925 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -13.8 | -161.3 | -72.6 | -178.7 | 175.7 | -178.9 | -1.9 | 118.1 | ||
| 312 | D | 53 | Low | 74.2 | Confident | 152 Ų | 152 | 96.2 Ų | 96.2 | 81% | 0.813 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 6.4 | -167.1 | -72.7 | -25.9 | 0 | 0 | 0 | 116 | W310 | W310-D312 PolarHBondContact O-N 3.38Š|
| 313 | H | 55 | Low | 73.8 | Confident | 152 Ų | 152 | 99.1 Ų | 99.1 | 70% | 0.704 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -118.7 | 153.2 | 175.5 | -66.6 | 62.4 | 0 | 0 | 0 | 110.8 | P315 | H313-P315 VanDerWaalsContact O-N 3.16Š|
| 314 | R | 55.3 | Low | 73.8 | Confident | 239 Ų | 239 | 97.6 Ų | 97.6 | 90% | 0.902 | 47% | 0.469 | S | S | * | . | trans | -46.1 | 127.6 | 169.1 | -85.2 | -158.2 | -83.9 | -152.4 | -3.2 | 107.6 | A316 | R314-A316 PolarHBondContact O-N 2.95Š| ||
| 315 | P | 60.7 | Low | 74.1 | Confident | 74 Ų | 74 | 91.4 Ų | 91.4 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | trans | -62.4 | 108.8 | -172.7 | 23.2 | -30.7 | 0 | 0 | 0 | 107.7 | R216 P309 H313 V317 | R216-P315 HydrophobicContact CB-CB 4.42Å; P309-P315 HydrophobicContact CG-CB 4.42Å; H313-P315 VanDerWaalsContact O-N 3.16Å; P315-V317 PolarHBondContact O-N 3.04Å | ||
| 316 | A | 77.1 | Confident | 74.8 | Confident | 43 Ų | 43 | 89.2 Ų | 89.2 | 36% | 0.355 | 43% | 0.427 | S | S | . | . | trans | -55.9 | 136.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | V305 R314 W318 | V305-A316 HydrophobicContact CG2-CB 4.44Å; R314-A316 PolarHBondContact O-N 2.95Å; A316-W318 PolarHBondContact O-N 3.23Å | ||
| 317 | V | 88.4 | Confident | 76 | Confident | 34 Ų | 34 | 80.9 Ų | 80.9 | 21% | 0.206 | 39% | 0.392 | C | S | . | . | trans | -60.2 | 130.6 | 171.1 | 175.1 | 0 | 0 | 0 | 0 | 107.6 | G217 Y219 F294 A302 P315 | G217-V317 WeakPolarHBondContact O-CA 3.26Å; Y219-V317 HydrophobicContact CD2-CG1 4.12Å; Y219-V317 HydrophobicContact CE2-CG2 4.42Å; F294-V317 HydrophobicContact CE1-CG1 3.81Å; F294-V317 HydrophobicContact CE1-CG2 4.16Å; F294-V317 HydrophobicContact CZ-CG1 4.45Å; A302-V317 HydrophobicContact CB-CB 4.47Å; A302-V317 HydrophobicContact CB-CG1 4.02Å; P315-V317 PolarHBondContact O-N 3.04Å | ||
| 318 | W | 89.9 | Confident | 77.5 | Confident | 13 Ų | 13 | 83.7 Ų | 83.7 | 5% | 0.049 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -136.7 | 159.5 | 173.8 | 62.5 | -74.6 | 0 | 0 | 0 | 110.3 | F137 P215 R216 G217 L218 Y219 V305 P308 A316 | F137-W318 HydrophobicContact CE1-CZ3 4.11Å; F137-W318 HydrophobicContact CZ-CZ3 4.33Å; P215-W318 HydrophobicContact CB-CH2 3.94Å; P215-W318 HydrophobicContact CB-CZ2 3.42Å; P215-W318 VanDerWaalsContact CB-CZ2 3.42Å; P215-W318 HydrophobicContact CG-CH2 4.23Å; P215-W318 HydrophobicContact CG-CZ2 4.21Å; R216-W318 PolarHBondContact O-NE1 2.93Å; G217-W318 VanDerWaalsContact O-CD1 3.31Å; G217-W318 PolarHBondContact O-N 3.22Å; L218-W318 WeakPolarHBondContact CA-O 3.22Å; L218-W318 HydrophobicContact CB-CD2 4.23Å; L218-W318 HydrophobicContact CB-CH2 4.32Å; L218-W318 HydrophobicContact CB-CZ2 3.93Å; L218-W318 HydrophobicContact CD1-CD2 4.06Å; L218-W318 HydrophobicContact CD1-CE3 3.75Å; L218-W318 HydrophobicContact CD1-CH2 4.33Å; L218-W318 HydrophobicContact CD1-CZ3 3.87Å; L218-W318 HydrophobicContact CD2-CH2 4.35Å; Y219-W318 PolarHBondContact N-O 2.95Å; V305-W318 HydrophobicContact CB-CB 4.09Å; V305-W318 HydrophobicContact CG1-CB 3.82Å; P308-W318 HydrophobicContact CB-CH2 4.36Å; P308-W318 HydrophobicContact CB-CZ2 3.96Å; P308-W318 HydrophobicContact CG-CH2 3.97Å; P308-W318 HydrophobicContact CG-CZ2 4.09Å; P308-W318 HydrophobicContact CG-CZ3 4.43Å; A316-W318 PolarHBondContact O-N 3.23Å |
| 319 | L | 92.8 | Very high | 79.3 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | trans | -112.7 | 163.2 | -168.2 | -59.4 | 178.6 | 0 | 0 | 0 | 111.3 | L208 L218 I299 A302 L303 I330 | L208-L319 HydrophobicContact CD1-CD2 3.85Å; L218-L319 VanDerWaalsContact CD1-C 3.47Å; I299-L319 HydrophobicContact CG2-CD1 4.49Å; A302-L319 HydrophobicContact CB-CD1 4.02Å; A302-L319 HydrophobicContact CB-CD2 4.3Å; A302-L319 HydrophobicContact CB-CG 3.88Å; L303-L319 HydrophobicContact CD2-CD1 3.68Å; L303-L319 HydrophobicContact CG-CD1 3.77Å; L319-I330 HydrophobicContact CD1-CD1 4.38Å; L319-I330 HydrophobicContact CD1-CG2 4.02Å; L319-I330 HydrophobicContact CD2-CD1 4.1Å | ||
| 320 | P | 91.1 | Very high | 81 | Confident | 11 Ų | 11 | 78.2 Ų | 78.2 | 7% | 0.071 | 35% | 0.353 | C | S | . | . | trans | -57.5 | 154.4 | 177.3 | -26.1 | 38.6 | 0 | 0 | 0 | 111.5 | L218 Y219 A324 A326 H327 | L218-P320 HydrophobicContact CD1-CG 4.22Å; Y219-P320 WeakPolarHBondContact O-CD 3.39Å; P320-A324 HydrophobicContact CB-CB 3.8Å; P320-A326 HydrophobicContact CB-CB 4.19Å; P320-A326 HydrophobicContact CG-CB 3.82Å; P320-H327 HydrophobicContact CB-CB 4.47Å; P320-H327 WeakPolarHBondContact O-CB 3.32Å; P320-H327 PolarHBondContact O-CD2 3.27Å | ||
| 321 | P | 85.7 | Confident | 83 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | trans | -62.9 | 158.7 | -179.2 | 26.4 | -33.3 | 0 | 0 | 0 | 111.6 | F137 H323 A324 H327 | F137-P321 HydrophobicContact CD1-CB 3.73Å; F137-P321 HydrophobicContact CD1-CG 4.03Å; F137-P321 HydrophobicContact CE1-CB 3.66Å; F137-P321 HydrophobicContact CE1-CG 3.59Å; F137-P321 HydrophobicContact CZ-CB 4.49Å; F137-P321 HydrophobicContact CZ-CG 3.94Å; P321-H323 PolarHBondContact O-N 2.96Å; P321-A324 HydrophobicContact CG-CB 4.29Å; P321-A324 WeakPolarHBondContact O-CB 3.27Å; P321-A324 PolarHBondContact O-N 3.41Å; P321-H327 VanDerWaalsContact O-CB 3.29Å; P321-H327 WeakPolarHBondContact O-CB 3.42Å | ||
| 322 | K | 86.8 | Confident | 85 | Confident | 172 Ų | 172 | 60.4 Ų | 60.4 | 75% | 0.748 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -23.4 | -177 | -63.6 | -177.9 | 178.8 | -177.9 | 0 | 115.1 | ||
| 323 | H | 84.9 | Confident | 87.1 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.1 | 178.4 | -56.8 | -51.8 | 0 | 0 | 0 | 113.5 | G141 Q257 P321 | G141-H323 WeakPolarHBondContact CA-CE1 3.42Å; Q257-H323 PolarHBondContact NE2-O 3.05Å; P321-H323 PolarHBondContact O-N 2.96Å |
| 324 | A | 90.2 | Very high | 89.1 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -80.4 | 138.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | W259 P320 P321 A326 H327 R328 | W259-A324 HydrophobicContact CH2-CB 4.21Å; W259-A324 HydrophobicContact CZ3-CB 4.29Å; P320-A324 HydrophobicContact CB-CB 3.8Å; P321-A324 HydrophobicContact CG-CB 4.29Å; P321-A324 WeakPolarHBondContact O-CB 3.27Å; P321-A324 PolarHBondContact O-N 3.41Å; A324-A326 PolarHBondContact O-N 2.92Å; A324-H327 WeakPolarHBondContact O-CB 3.02Å; A324-H327 PolarHBondContact O-N 3.36Å; A324-R328 PolarHBondContact O-N 3.47Å |
| 325 | V | 95.1 | Very high | 91 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -27.8 | 179.2 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | I197 Q257 M267 A269 H327 R328 L329 | I197-V325 HydrophobicContact CD1-CG1 4.04Å; I197-V325 HydrophobicContact CG2-CG1 3.72Å; Q257-V325 HydrophobicContact CB-CB 3.98Å; Q257-V325 HydrophobicContact CB-CG1 4.34Å; Q257-V325 HydrophobicContact CB-CG2 4.42Å; M267-V325 HydrophobicContact CB-CG1 4.16Å; A269-V325 HydrophobicContact CB-CG1 4.48Å; A269-V325 HydrophobicContact CB-CG2 3.34Å; V325-H327 VanDerWaalsContact C-N 3.34Å; V325-H327 PolarHBondContact O-N 2.76Å; V325-R328 WeakPolarHBondContact O-CB 3.46Å; V325-R328 PolarHBondContact O-N 3.29Å; V325-R328 VanDerWaalsContact O-N 3.17Å; V325-L329 PolarHBondContact O-N 3.49Å |
| 326 | A | 96.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I197 S220 A221 P320 A324 R328 L329 I330 | I197-A326 HydrophobicContact CD1-CB 3.81Å; S220-A326 WeakPolarHBondContact OG-CB 3.38Å; A221-A326 HydrophobicContact CB-CB 4.36Å; P320-A326 HydrophobicContact CB-CB 4.19Å; P320-A326 HydrophobicContact CG-CB 3.82Å; A324-A326 PolarHBondContact O-N 2.92Å; A326-R328 VanDerWaalsContact C-N 3.31Å; A326-R328 PolarHBondContact O-N 3.34Å; A326-L329 PolarHBondContact O-N 3.43Å; A326-I330 WeakPolarHBondContact O-CD1 3.33Å; A326-I330 VanDerWaalsContact O-CG1 3.29Å; A326-I330 WeakPolarHBondContact O-CG1 3.41Å; A326-I330 PolarHBondContact O-N 3.27Å |
| 327 | H | 95.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 13% | 0.125 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 176.1 | 178.5 | -76.9 | 0 | 0 | 0 | 111.2 | P320 P321 A324 V325 I330 M331 | P320-H327 HydrophobicContact CB-CB 4.47Å; P320-H327 WeakPolarHBondContact O-CB 3.32Å; P320-H327 PolarHBondContact O-CD2 3.27Å; P321-H327 VanDerWaalsContact O-CB 3.29Å; P321-H327 WeakPolarHBondContact O-CB 3.42Å; A324-H327 WeakPolarHBondContact O-CB 3.02Å; A324-H327 PolarHBondContact O-N 3.36Å; V325-H327 VanDerWaalsContact C-N 3.34Å; V325-H327 PolarHBondContact O-N 2.76Å; H327-I330 PolarHBondContact O-N 2.71Å; H327-M331 VanDerWaalsContact CE1-CG 3.46Å; H327-M331 WeakPolarHBondContact CE1-CG 3.47Å; H327-M331 WeakPolarHBondContact O-CG 3.27Å; H327-M331 PolarHBondContact O-N 2.77Å |
| 328 | R | 96.3 | Very high | 92.7 | Very high | 122 Ų | 122 | 44.4 Ų | 44.4 | 46% | 0.46 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 174.1 | 175 | -178.6 | -69.3 | 160.7 | -2.4 | 111.4 | S255 A324 V325 A326 I330 M331 E332 | S255-R328 WeakPolarHBondContact OG-CD 3.4Å; S255-R328 PolarHBondContact OG-NH1 2.93Å; S255-R328 VanDerWaalsContact OG-NH1 3.15Å; A324-R328 PolarHBondContact O-N 3.47Å; V325-R328 WeakPolarHBondContact O-CB 3.46Å; V325-R328 PolarHBondContact O-N 3.29Å; V325-R328 VanDerWaalsContact O-N 3.17Å; A326-R328 VanDerWaalsContact C-N 3.31Å; A326-R328 PolarHBondContact O-N 3.34Å; R328-I330 VanDerWaalsContact C-N 3.28Å; R328-I330 PolarHBondContact O-N 3.43Å; R328-M331 PolarHBondContact O-N 3.22Å; R328-E332 VanDerWaalsContact CD-OE1 3.3Å; R328-E332 WeakPolarHBondContact CD-OE1 3.41Å; R328-E332 HydrophobicContact CG-CG 4.22Å; R328-E332 WeakPolarHBondContact CG-OE1 3.37Å; R328-E332 WeakPolarHBondContact O-CG 3.39Å; R328-E332 PolarHBondContact O-N 2.88Å |
| 329 | L | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.1 | -44.7 | 177.6 | -71.1 | 174.8 | 0 | 0 | 0 | 111.3 | I197 L199 A221 A269 H271 V325 A326 M331 E332 W333 | I197-L329 HydrophobicContact CG1-CD1 4.22Å; L199-L329 HydrophobicContact CB-CB 3.92Å; L199-L329 HydrophobicContact CB-CD1 4.16Å; L199-L329 HydrophobicContact CD2-CB 4.12Å; L199-L329 VanDerWaalsContact CD2-O 3.3Å; L199-L329 WeakPolarHBondContact CD2-O 3.31Å; A221-L329 HydrophobicContact CB-CD1 4.29Å; A269-L329 HydrophobicContact CB-CD1 4.03Å; A269-L329 HydrophobicContact CB-CD2 4.02Å; A269-L329 HydrophobicContact CB-CG 4.12Å; H271-L329 PolarHBondContact CE1-O 3.28Å; H271-L329 VanDerWaalsContact CE1-O 3.3Å; H271-L329 WeakPolarHBondContact NE2-CD2 3.44Å; V325-L329 PolarHBondContact O-N 3.49Å; A326-L329 PolarHBondContact O-N 3.43Å; L329-M331 PolarHBondContact O-N 3.46Å; L329-E332 PolarHBondContact O-N 3.47Å; L329-W333 PolarHBondContact O-N 3.39Å |
| 330 | I | 98 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 179.1 | -65.9 | 160.8 | 0 | 0 | 0 | 111.5 | L199 L208 I299 L319 A326 H327 R328 W333 K334 | L199-I330 HydrophobicContact CD1-CG1 4.16Å; L199-I330 HydrophobicContact CD2-CG1 4.38Å; L208-I330 HydrophobicContact CD1-CD1 4.47Å; L208-I330 HydrophobicContact CD2-CD1 3.98Å; L208-I330 HydrophobicContact CD2-CG1 4.08Å; I299-I330 HydrophobicContact CD1-CG2 4.33Å; I299-I330 HydrophobicContact CG2-CG2 3.55Å; L319-I330 HydrophobicContact CD1-CD1 4.38Å; L319-I330 HydrophobicContact CD1-CG2 4.02Å; L319-I330 HydrophobicContact CD2-CD1 4.1Å; A326-I330 WeakPolarHBondContact O-CD1 3.33Å; A326-I330 VanDerWaalsContact O-CG1 3.29Å; A326-I330 WeakPolarHBondContact O-CG1 3.41Å; A326-I330 PolarHBondContact O-N 3.27Å; H327-I330 PolarHBondContact O-N 2.71Å; R328-I330 VanDerWaalsContact C-N 3.28Å; R328-I330 PolarHBondContact O-N 3.43Å; I330-W333 PolarHBondContact O-N 3.3Å; I330-K334 WeakPolarHBondContact O-CB 3.16Å; I330-K334 PolarHBondContact O-N 2.92Å |
| 331 | M | 97.2 | Very high | 89.9 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 28% | 0.281 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 176.2 | -74 | -63.7 | -55.9 | 0 | 0 | 112 | L303 H327 R328 L329 W333 K334 E335 | L303-M331 HydrophobicContact CD1-SD 3.79Å; L303-M331 HydrophobicContact CD2-SD 3.89Å; H327-M331 VanDerWaalsContact CE1-CG 3.46Å; H327-M331 WeakPolarHBondContact CE1-CG 3.47Å; H327-M331 WeakPolarHBondContact O-CG 3.27Å; H327-M331 PolarHBondContact O-N 2.77Å; R328-M331 PolarHBondContact O-N 3.22Å; L329-M331 PolarHBondContact O-N 3.46Å; M331-W333 VanDerWaalsContact C-N 3.34Å; M331-W333 PolarHBondContact O-N 3.28Å; M331-K334 PolarHBondContact O-N 3.22Å; M331-E335 WeakPolarHBondContact O-CG 3.44Å; M331-E335 PolarHBondContact O-N 3.03Å |
| 332 | E | 97.4 | Very high | 88.6 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.3 | -73.1 | 170.3 | -176.1 | 0 | 0 | 111.5 | S254 H271 R328 L329 E335 Q336 | S254-E332 VanDerWaalsContact CB-OE2 3.25Å; S254-E332 WeakPolarHBondContact CB-OE2 3.44Å; S254-E332 VanDerWaalsContact OG-CD 3.22Å; S254-E332 PolarHBondContact OG-OE1 3.12Å; S254-E332 PolarHBondContact OG-OE2 3.29Å; H271-E332 IonicContact CD2-OE2 3.58Å; H271-E332 IonicContact CE1-OE2 2.84Å; H271-E332 IonicContact NE2-OE2 3.2Å; H271-E332 PolarHBondContact NE2-OE2 3.12Å; R328-E332 VanDerWaalsContact CD-OE1 3.3Å; R328-E332 WeakPolarHBondContact CD-OE1 3.41Å; R328-E332 HydrophobicContact CG-CG 4.22Å; R328-E332 WeakPolarHBondContact CG-OE1 3.37Å; R328-E332 WeakPolarHBondContact O-CG 3.39Å; R328-E332 PolarHBondContact O-N 2.88Å; L329-E332 PolarHBondContact O-N 3.47Å; E332-E335 PolarHBondContact O-N 3.48Å; E332-Q336 WeakPolarHBondContact O-CG 3.34Å; E332-Q336 PolarHBondContact O-N 3.39Å; E332-Q336 VanDerWaalsContact O-N 3.08Å |
| 333 | W | 97.7 | Very high | 86.7 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 176.1 | 171.9 | 89.5 | 0 | 0 | 0 | 111.7 | L199 S201 C206 E296 I299 L329 I330 M331 Q336 Q337 | L199-W333 HydrophobicContact CD2-CB 3.45Å; L199-W333 VanDerWaalsContact CD2-CB 3.45Å; L199-W333 HydrophobicContact CD2-CG 3.98Å; S201-W333 PolarHBondContact OG-NE1 2.94Å; C206-W333 HydrophobicContact CB-CD2 3.85Å; C206-W333 HydrophobicContact CB-CE3 4.25Å; C206-W333 HydrophobicContact CB-CG 4.29Å; C206-W333 HydrophobicContact CB-CH2 4.39Å; C206-W333 HydrophobicContact CB-CZ2 3.98Å; E296-W333 HydrophobicContact CB-CH2 4.09Å; E296-W333 HydrophobicContact CB-CZ3 4.39Å; I299-W333 HydrophobicContact CB-CZ3 4.25Å; I299-W333 HydrophobicContact CG1-CZ3 3.89Å; I299-W333 HydrophobicContact CG2-CZ3 4.44Å; L329-W333 PolarHBondContact O-N 3.39Å; I330-W333 PolarHBondContact O-N 3.3Å; M331-W333 VanDerWaalsContact C-N 3.34Å; M331-W333 PolarHBondContact O-N 3.28Å; W333-Q336 WeakPolarHBondContact O-CB 3.4Å; W333-Q336 PolarHBondContact O-N 3.18Å; W333-Q337 HydrophobicContact CD2-CG 4.28Å; W333-Q337 HydrophobicContact CE3-CG 4.5Å; W333-Q337 HydrophobicContact CH2-CG 4.15Å; W333-Q337 HydrophobicContact CZ2-CG 3.92Å; W333-Q337 HydrophobicContact CZ3-CG 4.44Å; W333-Q337 VanDerWaalsContact NE1-NE2 3.12Å; W333-Q337 WeakPolarHBondContact O-CG 3.17Å; W333-Q337 PolarHBondContact O-N 2.85Å; W333-Q337 VanDerWaalsContact O-N 3.15Å |
| 334 | K | 96.2 | Very high | 86.8 | Confident | 32 Ų | 32 | 65 Ų | 65 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.7 | 175.4 | 177 | 169 | 164.5 | 0 | 111.8 | T300 L303 I330 M331 Q336 Q337 H338 | T300-K334 WeakPolarHBondContact OG1-CE 3.43Å; T300-K334 PolarHBondContact OG1-NZ 2.88Å; L303-K334 HydrophobicContact CD1-CD 3.69Å; I330-K334 WeakPolarHBondContact O-CB 3.16Å; I330-K334 PolarHBondContact O-N 2.92Å; M331-K334 PolarHBondContact O-N 3.22Å; K334-Q336 VanDerWaalsContact C-N 3.25Å; K334-Q336 PolarHBondContact O-N 2.8Å; K334-Q337 PolarHBondContact O-N 3.44Å; K334-Q337 VanDerWaalsContact O-N 3.14Å; K334-H338 PolarHBondContact O-N 3.01Å; K334-H338 PolarHBondContact O-ND1 3.13Å; K334-H338 VanDerWaalsContact O-ND1 3.09Å |
| 335 | E | 95.1 | Very high | 86.7 | Confident | 113 Ų | 113 | 68 Ų | 68 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 177.6 | -73.1 | 168.9 | -176.7 | 0 | 0 | 111.7 | M331 E332 H338 S339 | M331-E335 WeakPolarHBondContact O-CG 3.44Å; M331-E335 PolarHBondContact O-N 3.03Å; E332-E335 PolarHBondContact O-N 3.48Å; E335-H338 PolarHBondContact O-N 2.81Å; E335-S339 PolarHBondContact O-N 2.72Å; E335-S339 PolarHBondContact O-OG 3.32Å |
| 336 | Q | 92.9 | Very high | 86.2 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68 | -30.4 | 175.2 | -70.6 | 167.2 | 18.4 | 0 | 0 | 113.6 | E332 W333 K334 | E332-Q336 WeakPolarHBondContact O-CG 3.34Å; E332-Q336 PolarHBondContact O-N 3.39Å; E332-Q336 VanDerWaalsContact O-N 3.08Å; W333-Q336 WeakPolarHBondContact O-CB 3.4Å; W333-Q336 PolarHBondContact O-N 3.18Å; K334-Q336 VanDerWaalsContact C-N 3.25Å; K334-Q336 PolarHBondContact O-N 2.8Å |
| 337 | Q | 89.3 | Confident | 85.6 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.9 | -45.2 | 175.1 | -59.5 | -50 | -34.3 | 0 | 0 | 111 | G203 E296 W333 K334 S339 K340 D341 | G203-Q337 PolarHBondContact O-NE2 3.01Å; G203-Q337 PolarHBondContact O-OE1 2.92Å; E296-Q337 VanDerWaalsContact OE2-CB 3.29Å; E296-Q337 WeakPolarHBondContact OE2-CB 3.23Å; W333-Q337 HydrophobicContact CD2-CG 4.28Å; W333-Q337 HydrophobicContact CE3-CG 4.5Å; W333-Q337 HydrophobicContact CH2-CG 4.15Å; W333-Q337 HydrophobicContact CZ2-CG 3.92Å; W333-Q337 HydrophobicContact CZ3-CG 4.44Å; W333-Q337 VanDerWaalsContact NE1-NE2 3.12Å; W333-Q337 WeakPolarHBondContact O-CG 3.17Å; W333-Q337 PolarHBondContact O-N 2.85Å; W333-Q337 VanDerWaalsContact O-N 3.15Å; K334-Q337 PolarHBondContact O-N 3.44Å; K334-Q337 VanDerWaalsContact O-N 3.14Å; Q337-S339 VanDerWaalsContact C-N 3.26Å; Q337-S339 PolarHBondContact O-N 2.74Å; Q337-K340 PolarHBondContact O-N 2.8Å; Q337-K340 VanDerWaalsContact O-N 3.07Å; Q337-D341 PolarHBondContact O-N 2.82Å |
| 338 | H | 78.9 | Confident | 85 | Confident | 97 Ų | 97 | 78.4 Ų | 78.4 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -37.9 | 177.6 | -75.2 | 59.5 | 0 | 0 | 0 | 112.7 | E296 K334 E335 K340 D341 T342 | E296-H338 IonicContact OE1-CE1 3.81Å; E296-H338 PolarHBondContact OE1-CE1 2.62Å; E296-H338 IonicContact OE1-CG 3.28Å; E296-H338 IonicContact OE1-ND1 3.74Å; E296-H338 PolarHBondContact OE1-ND1 3.27Å; K334-H338 PolarHBondContact O-N 3.01Å; K334-H338 PolarHBondContact O-ND1 3.13Å; K334-H338 VanDerWaalsContact O-ND1 3.09Å; E335-H338 PolarHBondContact O-N 2.81Å; H338-K340 VanDerWaalsContact C-N 3.31Å; H338-K340 PolarHBondContact O-N 2.74Å; H338-D341 PolarHBondContact O-N 2.91Å; H338-T342 PolarHBondContact O-N 3.14Å; H338-T342 PolarHBondContact O-OG1 3.2Å; H338-T342 VanDerWaalsContact O-OG1 3.07Å |
| 339 | S | 75.9 | Confident | 84.2 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 48% | 0.483 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 179 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | E335 Q337 T342 | E335-S339 PolarHBondContact O-N 2.72Å; E335-S339 PolarHBondContact O-OG 3.32Å; Q337-S339 VanDerWaalsContact C-N 3.26Å; Q337-S339 PolarHBondContact O-N 2.74Å; S339-T342 PolarHBondContact O-N 3.28Å; S339-T342 PolarHBondContact O-OG1 3.32Å |
| 340 | K | 73.6 | Confident | 83.2 | Confident | 120 Ų | 120 | 80.9 Ų | 80.9 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.2 | -27.9 | 179.1 | -69.1 | 175.3 | -176.1 | 171.8 | 0 | 113.2 | Q337 H338 T342 | Q337-K340 PolarHBondContact O-N 2.8Å; Q337-K340 VanDerWaalsContact O-N 3.07Å; H338-K340 VanDerWaalsContact C-N 3.31Å; H338-K340 PolarHBondContact O-N 2.74Å; K340-T342 VanDerWaalsContact C-N 3.32Å |
| 341 | D | 65.8 | Low | 82.1 | Confident | 129 Ų | 129 | 87.2 Ų | 87.2 | 69% | 0.69 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -79.5 | -17 | 177.8 | -72.8 | -14.5 | 0 | 0 | 0 | 112.9 | Q337 H338 | Q337-D341 PolarHBondContact O-N 2.82Å; H338-D341 PolarHBondContact O-N 2.91Å |
| 342 | T | 60 | Low | 80.8 | Confident | 123 Ų | 123 | 89.7 Ų | 89.7 | 76% | 0.755 | 45% | 0.45 | S | S | * | . | trans | -94.6 | -5.9 | 178.4 | 38.5 | 0 | 0 | 0 | 0 | 115.2 | H338 S339 K340 | H338-T342 PolarHBondContact O-N 3.14Å; H338-T342 PolarHBondContact O-OG1 3.2Å; H338-T342 VanDerWaalsContact O-OG1 3.07Å; S339-T342 PolarHBondContact O-N 3.28Å; S339-T342 PolarHBondContact O-OG1 3.32Å; K340-T342 VanDerWaalsContact C-N 3.32Å | ||
| 343 | E | 46.9 | Very low | 79.3 | Confident | 229 Ų | 229 | 93.5 Ų | 93.5 | 100% | 1.07 | 47% | 0.47 | S | S | * | . | trans | -98.8 | 0 | 176 | -73.3 | -173.2 | 164.5 | 0 | 0 | 112.5 |
Retrieved 343 of 343 residues in 142.5 ms
(Link to these results)