| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.3 | Very low | 37.2 | Very low | 245 Ų | 245 | 148.8 Ų | 148.8 | 100% | 1.207 | 84% | 0.836 | S | S | * | * | 0 | 108.1 | 0 | -84.7 | 174.3 | 175 | 0 | 0 | 106.5 | |||||
| 2 | E | 33.6 | Very low | 36.8 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -63.4 | 143.3 | -174.6 | -62.4 | -177.3 | 138.5 | 0 | 0 | 111.3 | S4 | E2-S4 PolarHBondContact O-N 3.4Š| ||
| 3 | P | 35.2 | Very low | 37.1 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -76.5 | 109.9 | 172.8 | 30.8 | -28.1 | 0 | 0 | 0 | 108.3 | S5 | P3-S5 PolarHBondContact O-N 2.96Å; P3-S5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | S | 37.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -54.1 | 117.5 | 169.9 | 42.3 | 0 | 0 | 0 | 0 | 110.5 | E2 L6 | E2-S4 PolarHBondContact O-N 3.4Å; S4-L6 PolarHBondContact O-N 3.01Å | ||
| 5 | S | 37.4 | Very low | 38 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -52.4 | 109 | 174.3 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | P3 G7 | P3-S5 PolarHBondContact O-N 2.96Å; P3-S5 VanDerWaalsContact O-N 3.17Å; S5-G7 VanDerWaalsContact C-N 3.32Å; S5-G7 PolarHBondContact O-N 2.95Å | ||
| 6 | L | 39.5 | Very low | 38.7 | Very low | 157 Ų | 157 | 137 Ų | 137 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -75.4 | 84.7 | 165.7 | -81.7 | 158.8 | 0 | 0 | 0 | 109 | S4 L8 | S4-L6 PolarHBondContact O-N 3.01Å; L6-L8 PolarHBondContact O-N 3.48Å | ||
| 7 | G | 36.6 | Very low | 39.5 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | -70.7 | 111.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S5 | S5-G7 VanDerWaalsContact C-N 3.32Å; S5-G7 PolarHBondContact O-N 2.95Å | ||
| 8 | L | 42 | Very low | 40.6 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 58% | 0.581 | 75% | 0.754 | S | S | * | * | trans | -86.3 | 143.2 | 165.3 | -82.4 | 159.6 | 0 | 0 | 0 | 109.1 | L6 E10 | L6-L8 PolarHBondContact O-N 3.48Å; L8-E10 PolarHBondContact O-N 3.21Å | ||
| 9 | P | 37.6 | Very low | 41.7 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | trans | -72.5 | 112.9 | 173.1 | 28.5 | -29.6 | 0 | 0 | 0 | 109.8 | K11 | P9-K11 PolarHBondContact O-N 3.02Š| ||
| 10 | E | 34.3 | Very low | 43.1 | Very low | 197 Ų | 197 | 125.3 Ų | 125.3 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | trans | -68.9 | 91.7 | 165.4 | -70.7 | -175.7 | 158.2 | 0 | 0 | 109.4 | L8 | L8-E10 PolarHBondContact O-N 3.21Š| ||
| 11 | K | 40.1 | Very low | 44.5 | Very low | 194 Ų | 194 | 122.8 Ų | 122.8 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -130.5 | 107.7 | 156.7 | -83.5 | -169.4 | 176.6 | -179.5 | 0 | 108.9 | P9 I13 | P9-K11 PolarHBondContact O-N 3.02Å; K11-I13 PolarHBondContact O-N 2.72Å | ||
| 12 | G | 32.5 | Very low | 46.3 | Very low | 72 Ų | 72 | 111.5 Ų | 111.5 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | trans | -63.1 | 124 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 13 | I | 40.8 | Very low | 48.5 | Very low | 126 Ų | 126 | 104.9 Ų | 104.9 | 65% | 0.646 | 64% | 0.643 | S | S | * | * | trans | -108.1 | 73.2 | 156.2 | -55 | 173.6 | 0 | 0 | 0 | 105.3 | K11 | K11-I13 PolarHBondContact O-N 2.72Š| ||
| 14 | S | 42.4 | Very low | 50.8 | Low | 107 Ų | 107 | 102.9 Ų | 102.9 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | trans | -111.3 | 22 | -175.8 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 15 | S | 44.5 | Very low | 53.1 | Low | 104 Ų | 104 | 97.9 Ų | 97.9 | 73% | 0.727 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -120.4 | 16.4 | -170.2 | 82.4 | 0 | 0 | 0 | 0 | 117.3 | ||
| 16 | M | 50 | Low | 55.5 | Low | 146 Ų | 146 | 94.7 Ų | 94.7 | 72% | 0.719 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -136 | 14.7 | -176.4 | -71 | -163.9 | 168.2 | 0 | 0 | 116.5 | K267 | M16-K267 PolarHBondContact O-NZ 3.13Š|
| 17 | A | 52.8 | Low | 57.8 | Low | 41 Ų | 41 | 93.8 Ų | 93.8 | 34% | 0.339 | 55% | 0.545 | S | S | . | . | trans | -108.2 | 115.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | C22 | A17-C22 WeakPolarHBondContact CB-SG 3.34Š| ||
| 18 | G | 57.7 | Low | 60.4 | Low | 44 Ų | 44 | 92.2 Ų | 92.2 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | trans | -59.4 | 148.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | D20 D21 C22 | G18-D20 PolarHBondContact O-N 3.1Å; G18-D21 PolarHBondContact O-N 3.49Å; G18-C22 PolarHBondContact O-N 2.93Å | ||
| 19 | N | 61.6 | Low | 62.9 | Low | 96 Ų | 96 | 86.9 Ų | 86.9 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -51 | -33.7 | -175.9 | -68.8 | 0.1 | 0 | 0 | 0 | 112.9 | D21 C22 S23 N145 | N19-D21 PolarHBondContact O-N 2.62Å; N19-C22 PolarHBondContact O-N 3.13Å; N19-S23 WeakPolarHBondContact O-CB 3.48Å; N19-S23 PolarHBondContact O-N 3.1Å; N19-S23 PolarHBondContact O-OG 2.74Å; N19-S23 VanDerWaalsContact O-OG 3.13Å; N19-N145 VanDerWaalsContact CG-OD1 3.31Å; N19-N145 PolarHBondContact OD1-ND2 2.94Å; N19-N145 PolarHBondContact OD1-OD1 3.22Å |
| 20 | D | 70 | Confident | 65.5 | Low | 133 Ų | 133 | 83.6 Ų | 83.6 | 71% | 0.711 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.4 | -36 | 179.2 | -65.4 | -9.3 | 0 | 0 | 0 | 112.7 | G18 S23 F24 | G18-D20 PolarHBondContact O-N 3.1Å; D20-S23 PolarHBondContact O-OG 3.02Å; D20-F24 VanDerWaalsContact O-CB 3.27Å; D20-F24 WeakPolarHBondContact O-CB 3.47Å; D20-F24 PolarHBondContact O-N 3.43Å |
| 21 | D | 72.2 | Confident | 68.4 | Low | 72 Ų | 72 | 77.4 Ų | 77.4 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -75.4 | -38.8 | -179.5 | -66.6 | -43.9 | 0 | 0 | 0 | 111.8 | G18 N19 L25 K267 | G18-D21 PolarHBondContact O-N 3.49Å; N19-D21 PolarHBondContact O-N 2.62Å; D21-L25 VanDerWaalsContact O-CB 3.25Å; D21-L25 WeakPolarHBondContact O-CB 3.32Å; D21-L25 PolarHBondContact O-N 3.17Å; D21-K267 WeakPolarHBondContact OD2-CE 3.32Å; D21-K267 IonicContact OD2-NZ 2.74Å; D21-K267 PolarHBondContact OD2-NZ 3.42Å |
| 22 | C | 74.4 | Confident | 71 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 6% | 0.061 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67 | -42.8 | 176.6 | -77.4 | 0 | 0 | 0 | 0 | 111.5 | A17 G18 N19 L25 R26 D144 | A17-C22 WeakPolarHBondContact CB-SG 3.34Å; G18-C22 PolarHBondContact O-N 2.93Å; N19-C22 PolarHBondContact O-N 3.13Å; C22-L25 PolarHBondContact O-N 3.48Å; C22-R26 WeakPolarHBondContact O-CB 3.1Å; C22-R26 PolarHBondContact O-N 2.95Å; C22-D144 WeakPolarHBondContact CB-O 3.42Å |
| 23 | S | 79.1 | Confident | 74.1 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | N19 D20 R26 K27 | N19-S23 WeakPolarHBondContact O-CB 3.48Å; N19-S23 PolarHBondContact O-N 3.1Å; N19-S23 PolarHBondContact O-OG 2.74Å; N19-S23 VanDerWaalsContact O-OG 3.13Å; D20-S23 PolarHBondContact O-OG 3.02Å; S23-R26 PolarHBondContact O-N 3.48Å; S23-K27 WeakPolarHBondContact O-CB 3.16Å; S23-K27 PolarHBondContact O-N 2.85Å |
| 24 | F | 83 | Confident | 76.8 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.4 | -50.3 | 172.3 | 178.1 | -97.7 | 0 | 0 | 0 | 111.9 | D20 R26 K27 E28 L263 | D20-F24 VanDerWaalsContact O-CB 3.27Å; D20-F24 WeakPolarHBondContact O-CB 3.47Å; D20-F24 PolarHBondContact O-N 3.43Å; F24-R26 VanDerWaalsContact C-N 3.33Å; F24-R26 PolarHBondContact O-N 2.92Å; F24-K27 PolarHBondContact O-N 2.94Å; F24-E28 HydrophobicContact CD1-CG 4.21Å; F24-E28 HydrophobicContact CD2-CG 4.43Å; F24-E28 HydrophobicContact CE1-CG 3.76Å; F24-E28 HydrophobicContact CE2-CG 4Å; F24-E28 HydrophobicContact CZ-CG 3.65Å; F24-E28 WeakPolarHBondContact O-CG 3.42Å; F24-E28 PolarHBondContact O-N 3.28Å; F24-L263 HydrophobicContact CD1-CD1 4.13Å; F24-L263 HydrophobicContact CE1-CD1 3.81Å; F24-L263 HydrophobicContact CE1-CD2 4.43Å |
| 25 | L | 86.9 | Confident | 79.4 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 179.4 | -179.7 | 62 | 0 | 0 | 0 | 111.4 | D21 C22 E28 S29 L147 V149 L152 V260 F264 | D21-L25 VanDerWaalsContact O-CB 3.25Å; D21-L25 WeakPolarHBondContact O-CB 3.32Å; D21-L25 PolarHBondContact O-N 3.17Å; C22-L25 PolarHBondContact O-N 3.48Å; L25-E28 PolarHBondContact O-N 3.42Å; L25-S29 VanDerWaalsContact O-CB 3.3Å; L25-S29 WeakPolarHBondContact O-CB 3.47Å; L25-S29 PolarHBondContact O-N 3.5Å; L25-S29 PolarHBondContact O-OG 3.39Å; L25-L147 HydrophobicContact CB-CD2 4.41Å; L25-L147 HydrophobicContact CD2-CD2 3.99Å; L25-L147 HydrophobicContact CG-CD2 4.04Å; L25-V149 HydrophobicContact CD2-CG2 3.93Å; L25-L152 HydrophobicContact CD1-CD2 3.98Å; L25-L152 HydrophobicContact CD2-CD2 4.07Å; L25-L152 HydrophobicContact CG-CD2 3.93Å; L25-V260 HydrophobicContact CD1-CG1 4.27Å; L25-V260 HydrophobicContact CD1-CG2 3.75Å; L25-F264 HydrophobicContact CD2-CE2 4.13Å; L25-F264 HydrophobicContact CD2-CZ 3.91Å |
| 26 | R | 87.3 | Confident | 82 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 19% | 0.185 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 176.1 | -175.9 | -173.8 | -171.4 | 139 | 3.9 | 111.1 | C22 S23 F24 E28 S29 L30 L139 Q140 C142 D144 L147 | C22-R26 WeakPolarHBondContact O-CB 3.1Å; C22-R26 PolarHBondContact O-N 2.95Å; S23-R26 PolarHBondContact O-N 3.48Å; F24-R26 VanDerWaalsContact C-N 3.33Å; F24-R26 PolarHBondContact O-N 2.92Å; R26-E28 PolarHBondContact O-N 3.47Å; R26-S29 PolarHBondContact O-N 2.86Å; R26-L30 HydrophobicContact CG-CD1 4.27Å; R26-L30 WeakPolarHBondContact O-CG 3.41Å; R26-L30 PolarHBondContact O-N 3Å; R26-L139 HydrophobicContact CG-CD2 4.26Å; R26-L139 PolarHBondContact NE-O 3.28Å; R26-L139 PolarHBondContact NH2-O 3.47Å; R26-Q140 PolarHBondContact NH2-O 3.22Å; R26-C142 VanDerWaalsContact CZ-O 3.26Å; R26-C142 PolarHBondContact NH1-O 3.32Å; R26-C142 PolarHBondContact NH2-O 3.39Å; R26-D144 WeakPolarHBondContact CD-OD1 3.42Å; R26-D144 IonicContact CZ-OD1 3.56Å; R26-D144 IonicContact NE-OD1 3.86Å; R26-D144 IonicContact NH1-OD1 2.69Å; R26-D144 PolarHBondContact NH1-OD1 3.47Å; R26-L147 HydrophobicContact CB-CD2 4.26Å |
| 27 | K | 88.9 | Confident | 84.2 | Confident | 138 Ų | 138 | 58.3 Ų | 58.3 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.3 | -47.7 | 179.4 | -177.3 | 178.4 | 178.6 | 179.9 | 0 | 111.4 | S23 F24 S29 L30 I31 | S23-K27 WeakPolarHBondContact O-CB 3.16Å; S23-K27 PolarHBondContact O-N 2.85Å; F24-K27 PolarHBondContact O-N 2.94Å; K27-S29 VanDerWaalsContact C-N 3.34Å; K27-S29 PolarHBondContact O-N 3.37Å; K27-L30 PolarHBondContact O-N 2.95Å; K27-I31 HydrophobicContact CG-CD1 4.13Å; K27-I31 WeakPolarHBondContact O-CG1 3.27Å; K27-I31 PolarHBondContact O-N 3.13Å |
| 28 | E | 90.9 | Very high | 86.4 | Confident | 43 Ų | 43 | 62 Ų | 62 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 177.5 | -73.6 | -66.2 | 166 | 0 | 0 | 112.3 | F24 L25 R26 I31 Y32 F256 K259 | F24-E28 HydrophobicContact CD1-CG 4.21Å; F24-E28 HydrophobicContact CD2-CG 4.43Å; F24-E28 HydrophobicContact CE1-CG 3.76Å; F24-E28 HydrophobicContact CE2-CG 4Å; F24-E28 HydrophobicContact CZ-CG 3.65Å; F24-E28 WeakPolarHBondContact O-CG 3.42Å; F24-E28 PolarHBondContact O-N 3.28Å; L25-E28 PolarHBondContact O-N 3.42Å; R26-E28 PolarHBondContact O-N 3.47Å; E28-I31 PolarHBondContact O-N 3.28Å; E28-Y32 WeakPolarHBondContact O-CB 3.47Å; E28-Y32 PolarHBondContact O-N 3.19Å; E28-F256 HydrophobicContact CB-CE2 4.48Å; E28-K259 IonicContact OE1-NZ 3.71Å; E28-K259 PolarHBondContact OE1-NZ 3.43Å; E28-K259 WeakPolarHBondContact OE2-CE 3.41Å; E28-K259 IonicContact OE2-NZ 2.69Å; E28-K259 PolarHBondContact OE2-NZ 3.01Å |
| 29 | S | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 177 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | L25 R26 K27 Y32 L33 L152 F256 | L25-S29 VanDerWaalsContact O-CB 3.3Å; L25-S29 WeakPolarHBondContact O-CB 3.47Å; L25-S29 PolarHBondContact O-N 3.5Å; L25-S29 PolarHBondContact O-OG 3.39Å; R26-S29 PolarHBondContact O-N 2.86Å; K27-S29 VanDerWaalsContact C-N 3.34Å; K27-S29 PolarHBondContact O-N 3.37Å; S29-Y32 PolarHBondContact O-N 3.06Å; S29-L33 WeakPolarHBondContact O-CB 3.36Å; S29-L33 VanDerWaalsContact O-CG 3.28Å; S29-L33 WeakPolarHBondContact O-CG 3.47Å; S29-L33 PolarHBondContact O-N 3.5Å; S29-L152 WeakPolarHBondContact OG-CD2 3.49Å; S29-F256 WeakPolarHBondContact OG-CZ 3.46Å |
| 30 | L | 93 | Very high | 90 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.7 | -73.2 | 171.5 | 0 | 0 | 0 | 112 | R26 K27 R34 M136 L139 | R26-L30 HydrophobicContact CG-CD1 4.27Å; R26-L30 WeakPolarHBondContact O-CG 3.41Å; R26-L30 PolarHBondContact O-N 3Å; K27-L30 PolarHBondContact O-N 2.95Å; L30-R34 WeakPolarHBondContact O-CB 3.37Å; L30-R34 VanDerWaalsContact O-CG 3.32Å; L30-R34 WeakPolarHBondContact O-CG 3.36Å; L30-R34 PolarHBondContact O-N 3.47Å; L30-M136 HydrophobicContact CD2-CE 4.15Å; L30-M136 HydrophobicContact CD2-SD 3.97Å; L30-L139 HydrophobicContact CD2-CB 3.98Å; L30-L139 HydrophobicContact CD2-CD1 3.84Å; L30-L139 HydrophobicContact CG-CD1 4.04Å |
| 31 | I | 94.3 | Very high | 91.2 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 176.1 | -67.8 | 165.5 | 0 | 0 | 0 | 110.2 | K27 E28 K35 | K27-I31 HydrophobicContact CG-CD1 4.13Å; K27-I31 WeakPolarHBondContact O-CG1 3.27Å; K27-I31 PolarHBondContact O-N 3.13Å; E28-I31 PolarHBondContact O-N 3.28Å; I31-K35 HydrophobicContact CG2-CD 4.16Å; I31-K35 WeakPolarHBondContact O-CB 3.28Å; I31-K35 WeakPolarHBondContact O-CG 3.32Å; I31-K35 PolarHBondContact O-N 3.03Å |
| 32 | Y | 96.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -54 | 176.8 | 156.8 | -112.3 | 0 | 0 | 0 | 111.7 | E28 S29 R34 K35 L36 T156 L252 T253 F256 | E28-Y32 WeakPolarHBondContact O-CB 3.47Å; E28-Y32 PolarHBondContact O-N 3.19Å; S29-Y32 PolarHBondContact O-N 3.06Å; Y32-R34 VanDerWaalsContact C-N 3.35Å; Y32-R34 PolarHBondContact O-N 2.93Å; Y32-K35 PolarHBondContact O-N 3.33Å; Y32-L36 HydrophobicContact CE2-CB 4.29Å; Y32-L36 HydrophobicContact CE2-CD2 4.14Å; Y32-L36 WeakPolarHBondContact O-CB 3.35Å; Y32-L36 PolarHBondContact O-N 2.92Å; Y32-L36 WeakPolarHBondContact OH-CD2 3.16Å; Y32-T156 HydrophobicContact CE1-CG2 4.28Å; Y32-L252 HydrophobicContact CD2-CD1 4.36Å; Y32-L252 HydrophobicContact CD2-CD2 4.3Å; Y32-L252 HydrophobicContact CD2-CG 3.9Å; Y32-L252 HydrophobicContact CE2-CD2 4.49Å; Y32-L252 HydrophobicContact CE2-CG 4.08Å; Y32-T253 VanDerWaalsContact OH-CG2 3.27Å; Y32-T253 WeakPolarHBondContact OH-CG2 3.16Å; Y32-T253 PolarHBondContact OH-OG1 2.92Å; Y32-F256 HydrophobicContact CD1-CB 4.3Å; Y32-F256 AromaticContact CD1-CD1 3.5Å; Y32-F256 HydrophobicContact CD1-CD1 3.5Å; Y32-F256 VanDerWaalsContact CD1-CD1 3.5Å; Y32-F256 HydrophobicContact CD1-CD2 4.02Å; Y32-F256 AromaticContact CD1-CE1 3.73Å; Y32-F256 HydrophobicContact CD1-CE1 3.73Å; Y32-F256 HydrophobicContact CD1-CE2 4.22Å; Y32-F256 AromaticContact CD1-CG 3.66Å; Y32-F256 HydrophobicContact CD1-CG 3.66Å; Y32-F256 HydrophobicContact CD1-CZ 4.09Å; Y32-F256 HydrophobicContact CD2-CB 3.69Å; Y32-F256 HydrophobicContact CD2-CD1 4.4Å; Y32-F256 HydrophobicContact CD2-CD2 4.44Å; Y32-F256 AromaticContact CD2-CG 3.93Å; Y32-F256 HydrophobicContact CD2-CG 3.93Å; Y32-F256 AromaticContact CE1-CD1 3.67Å; Y32-F256 HydrophobicContact CE1-CD1 3.67Å; Y32-F256 HydrophobicContact CE1-CE1 4.04Å; Y32-F256 HydrophobicContact CE1-CG 4.15Å; Y32-F256 HydrophobicContact CE2-CB 4.03Å; Y32-F256 HydrophobicContact CE2-CG 4.41Å; Y32-F256 HydrophobicContact CG-CB 3.84Å; Y32-F256 AromaticContact CG-CD1 3.89Å; Y32-F256 HydrophobicContact CG-CD1 3.89Å; Y32-F256 AromaticContact CG-CD2 3.75Å; Y32-F256 HydrophobicContact CG-CD2 3.75Å; Y32-F256 HydrophobicContact CG-CE1 4.42Å; Y32-F256 HydrophobicContact CG-CE2 4.28Å; Y32-F256 AromaticContact CG-CG 3.53Å; Y32-F256 HydrophobicContact CG-CG 3.53Å |
| 33 | L | 96.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | -176.4 | -69.3 | 170.2 | 0 | 0 | 0 | 111.9 | S29 L36 E37 L132 M136 L139 I159 | S29-L33 WeakPolarHBondContact O-CB 3.36Å; S29-L33 VanDerWaalsContact O-CG 3.28Å; S29-L33 WeakPolarHBondContact O-CG 3.47Å; S29-L33 PolarHBondContact O-N 3.5Å; L33-L36 PolarHBondContact O-N 3.26Å; L33-E37 WeakPolarHBondContact O-CB 3.25Å; L33-E37 PolarHBondContact O-N 3.34Å; L33-L132 HydrophobicContact CD2-CG 4.07Å; L33-M136 HydrophobicContact CB-CG 4.05Å; L33-M136 HydrophobicContact CB-SD 3.48Å; L33-M136 WeakPolarHBondContact CB-SD 3.38Å; L33-M136 HydrophobicContact CD1-CG 4.03Å; L33-M136 HydrophobicContact CD1-SD 3.74Å; L33-M136 HydrophobicContact CG-SD 4.28Å; L33-L139 HydrophobicContact CD1-CD1 3.43Å; L33-L139 VanDerWaalsContact CD1-CD1 3.43Å; L33-I159 HydrophobicContact CD2-CD1 4.08Å |
| 34 | R | 96.8 | Very high | 93.8 | Very high | 157 Ų | 157 | 49 Ų | 49 | 59% | 0.592 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.3 | -42.8 | 174.8 | -75.9 | -178.7 | 176.7 | 178.6 | 0.5 | 112.6 | L30 Y32 L36 E37 L38 M136 | L30-R34 WeakPolarHBondContact O-CB 3.37Å; L30-R34 VanDerWaalsContact O-CG 3.32Å; L30-R34 WeakPolarHBondContact O-CG 3.36Å; L30-R34 PolarHBondContact O-N 3.47Å; Y32-R34 VanDerWaalsContact C-N 3.35Å; Y32-R34 PolarHBondContact O-N 2.93Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-E37 PolarHBondContact O-N 3.23Å; R34-L38 WeakPolarHBondContact O-CG 3.49Å; R34-L38 PolarHBondContact O-N 2.95Å; R34-L38 VanDerWaalsContact O-N 3.16Å; R34-M136 HydrophobicContact CG-CE 4.13Å |
| 35 | K | 97.9 | Very high | 94.2 | Very high | 121 Ų | 121 | 47.5 Ų | 47.5 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.4 | -76.3 | 179.9 | 177.3 | -175.4 | 0 | 110.9 | I31 Y32 E37 L38 I39 L252 | I31-K35 HydrophobicContact CG2-CD 4.16Å; I31-K35 WeakPolarHBondContact O-CB 3.28Å; I31-K35 WeakPolarHBondContact O-CG 3.32Å; I31-K35 PolarHBondContact O-N 3.03Å; Y32-K35 PolarHBondContact O-N 3.33Å; K35-E37 VanDerWaalsContact C-N 3.32Å; K35-E37 PolarHBondContact O-N 3.18Å; K35-L38 PolarHBondContact O-N 3.29Å; K35-I39 WeakPolarHBondContact O-CG1 3.03Å; K35-I39 PolarHBondContact O-N 2.96Å; K35-L252 HydrophobicContact CB-CD2 3.76Å |
| 36 | L | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 177.5 | -177 | 65.3 | 0 | 0 | 0 | 111.3 | Y32 L33 R34 L38 I39 L40 L132 I159 L163 A249 L252 | Y32-L36 HydrophobicContact CE2-CB 4.29Å; Y32-L36 HydrophobicContact CE2-CD2 4.14Å; Y32-L36 WeakPolarHBondContact O-CB 3.35Å; Y32-L36 PolarHBondContact O-N 2.92Å; Y32-L36 WeakPolarHBondContact OH-CD2 3.16Å; L33-L36 PolarHBondContact O-N 3.26Å; R34-L36 VanDerWaalsContact C-N 3.33Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.03Å; L36-I39 PolarHBondContact O-N 3.47Å; L36-I39 VanDerWaalsContact O-N 3.15Å; L36-L40 HydrophobicContact CD1-CD1 4.32Å; L36-L40 HydrophobicContact CD1-CD2 4.4Å; L36-L40 HydrophobicContact CD1-CG 4.15Å; L36-L40 HydrophobicContact CD2-CD1 4.46Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 HydrophobicContact CG-CG 4.22Å; L36-L40 WeakPolarHBondContact O-CG 3.49Å; L36-L40 PolarHBondContact O-N 3.06Å; L36-L132 HydrophobicContact CB-CD1 3.98Å; L36-L132 HydrophobicContact CD2-CD1 3.87Å; L36-L132 HydrophobicContact CG-CD1 3.8Å; L36-I159 HydrophobicContact CD2-CD1 4.26Å; L36-I159 HydrophobicContact CD2-CG2 3.51Å; L36-L163 HydrophobicContact CD1-CD1 4.32Å; L36-A249 HydrophobicContact CD1-CB 3.65Å; L36-L252 HydrophobicContact CB-CD2 4.03Å; L36-L252 HydrophobicContact CD1-CD2 4.46Å |
| 37 | E | 97.6 | Very high | 94.5 | Very high | 63 Ų | 63 | 49.3 Ų | 49.3 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 177.6 | -175.4 | 172.3 | -154.8 | 0 | 0 | 111 | L33 R34 K35 I39 L40 Q41 L132 | L33-E37 WeakPolarHBondContact O-CB 3.25Å; L33-E37 PolarHBondContact O-N 3.34Å; R34-E37 PolarHBondContact O-N 3.23Å; K35-E37 VanDerWaalsContact C-N 3.32Å; K35-E37 PolarHBondContact O-N 3.18Å; E37-I39 VanDerWaalsContact C-N 3.32Å; E37-I39 PolarHBondContact O-N 3.26Å; E37-L40 PolarHBondContact O-N 3.44Å; E37-Q41 HydrophobicContact CG-CG 4.34Å; E37-Q41 WeakPolarHBondContact O-CB 3.43Å; E37-Q41 WeakPolarHBondContact O-CG 3.28Å; E37-Q41 PolarHBondContact O-N 3.44Å; E37-L132 HydrophobicContact CB-CD1 3.86Å; E37-L132 HydrophobicContact CB-CD2 4Å; E37-L132 HydrophobicContact CG-CD2 4.33Å |
| 38 | L | 97.2 | Very high | 94.3 | Very high | 118 Ų | 118 | 43.2 Ų | 43.2 | 62% | 0.618 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59.7 | -41.1 | 176.8 | -67.2 | 172.6 | 0 | 0 | 0 | 112.5 | R34 K35 L36 G42 | R34-L38 WeakPolarHBondContact O-CG 3.49Å; R34-L38 PolarHBondContact O-N 2.95Å; R34-L38 VanDerWaalsContact O-N 3.16Å; K35-L38 PolarHBondContact O-N 3.29Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.03Å; L38-G42 PolarHBondContact O-N 3.27Å; L38-G42 VanDerWaalsContact O-N 3.1Å |
| 39 | I | 98 | Very high | 93.7 | Very high | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.205 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 177.6 | -64.2 | 169.8 | 0 | 0 | 0 | 110.6 | K35 L36 E37 G42 C43 I245 A249 L252 | K35-I39 WeakPolarHBondContact O-CG1 3.03Å; K35-I39 PolarHBondContact O-N 2.96Å; L36-I39 PolarHBondContact O-N 3.47Å; L36-I39 VanDerWaalsContact O-N 3.15Å; E37-I39 VanDerWaalsContact C-N 3.32Å; E37-I39 PolarHBondContact O-N 3.26Å; I39-G42 PolarHBondContact O-N 3.41Å; I39-C43 PolarHBondContact O-N 2.88Å; I39-I245 HydrophobicContact CG2-CG2 3.7Å; I39-I245 WeakPolarHBondContact O-CG2 3.47Å; I39-A249 HydrophobicContact CG2-CB 3.89Å; I39-L252 HydrophobicContact CD1-CD2 3.72Å |
| 40 | L | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.5 | -32.4 | -178.3 | -61 | -175.5 | 0 | 0 | 0 | 112.6 | L36 E37 G42 C43 C44 V125 A128 M129 L132 L163 A249 | L36-L40 HydrophobicContact CD1-CD1 4.32Å; L36-L40 HydrophobicContact CD1-CD2 4.4Å; L36-L40 HydrophobicContact CD1-CG 4.15Å; L36-L40 HydrophobicContact CD2-CD1 4.46Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 HydrophobicContact CG-CG 4.22Å; L36-L40 WeakPolarHBondContact O-CG 3.49Å; L36-L40 PolarHBondContact O-N 3.06Å; E37-L40 PolarHBondContact O-N 3.44Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-C43 WeakPolarHBondContact O-CB 3.48Å; L40-C43 PolarHBondContact O-N 3.29Å; L40-C44 PolarHBondContact O-N 3.05Å; L40-C44 PolarHBondContact O-SG 3.12Å; L40-V125 HydrophobicContact CD2-CG1 4.4Å; L40-A128 HydrophobicContact CD1-CB 4.11Å; L40-M129 HydrophobicContact CB-CG 3.84Å; L40-M129 HydrophobicContact CB-SD 4.27Å; L40-M129 HydrophobicContact CD1-CG 3.84Å; L40-M129 HydrophobicContact CG-CG 4.5Å; L40-L132 HydrophobicContact CD1-CD1 4.27Å; L40-L163 HydrophobicContact CD2-CD2 3.63Å; L40-A249 HydrophobicContact CD2-CB 3.98Å |
| 41 | Q | 95.1 | Very high | 92.3 | Very high | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.271 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 169.1 | -74.9 | 179.1 | -2.3 | 0 | 0 | 111.1 | E37 C43 C44 A45 F53 | E37-Q41 HydrophobicContact CG-CG 4.34Å; E37-Q41 WeakPolarHBondContact O-CB 3.43Å; E37-Q41 WeakPolarHBondContact O-CG 3.28Å; E37-Q41 PolarHBondContact O-N 3.44Å; Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 PolarHBondContact O-N 3.44Å; Q41-C44 PolarHBondContact O-N 2.64Å; Q41-A45 PolarHBondContact O-N 3.49Å; Q41-F53 HydrophobicContact CB-CE1 4.45Å; Q41-F53 HydrophobicContact CG-CD1 4.15Å; Q41-F53 HydrophobicContact CG-CE1 3.61Å; Q41-F53 HydrophobicContact CG-CE2 3.99Å; Q41-F53 HydrophobicContact CG-CZ 3.49Å; Q41-F53 VanDerWaalsContact CG-CZ 3.49Å |
| 42 | G | 93.6 | Very high | 91.5 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L38 I39 L40 K46 | L38-G42 PolarHBondContact O-N 3.27Å; L38-G42 VanDerWaalsContact O-N 3.1Å; I39-G42 PolarHBondContact O-N 3.41Å; L40-G42 VanDerWaalsContact C-N 3.34Å; G42-K46 PolarHBondContact O-N 3.42Å |
| 43 | C | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 172.4 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | I39 L40 Q41 A45 K46 L47 V125 I245 | I39-C43 PolarHBondContact O-N 2.88Å; L40-C43 WeakPolarHBondContact O-CB 3.48Å; L40-C43 PolarHBondContact O-N 3.29Å; Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 PolarHBondContact O-N 3.44Å; C43-A45 VanDerWaalsContact C-N 3.28Å; C43-A45 PolarHBondContact O-N 2.85Å; C43-K46 PolarHBondContact O-N 2.95Å; C43-L47 PolarHBondContact O-N 2.84Å; C43-L47 VanDerWaalsContact O-N 3.1Å; C43-V125 HydrophobicContact CB-CG1 4.25Å; C43-I245 HydrophobicContact CB-CG2 3.6Å |
| 44 | C | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -34.6 | -178.4 | -66.8 | 0 | 0 | 0 | 0 | 113.1 | L40 Q41 K46 L47 N51 F53 M129 | L40-C44 PolarHBondContact O-N 3.05Å; L40-C44 PolarHBondContact O-SG 3.12Å; Q41-C44 PolarHBondContact O-N 2.64Å; C44-K46 PolarHBondContact O-N 3.32Å; C44-L47 PolarHBondContact O-N 2.88Å; C44-N51 PolarHBondContact O-ND2 2.94Å; C44-F53 HydrophobicContact CB-CB 3.83Å; C44-F53 HydrophobicContact CB-CD2 3.45Å; C44-F53 VanDerWaalsContact CB-CD2 3.45Å; C44-F53 HydrophobicContact CB-CE2 4.38Å; C44-F53 HydrophobicContact CB-CG 4.05Å; C44-M129 VanDerWaalsContact SG-SD 3.69Å |
| 45 | A | 90.6 | Very high | 88.7 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.1 | -27.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q41 C43 | Q41-A45 PolarHBondContact O-N 3.49Å; C43-A45 VanDerWaalsContact C-N 3.28Å; C43-A45 PolarHBondContact O-N 2.85Å |
| 46 | K | 90.3 | Very high | 87.2 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -91.3 | -14.9 | 176.7 | -68.4 | -164.3 | 178.1 | -166.5 | 0 | 113.9 | G42 C43 C44 D241 L242 I245 | G42-K46 PolarHBondContact O-N 3.42Å; C43-K46 PolarHBondContact O-N 2.95Å; C44-K46 PolarHBondContact O-N 3.32Å; K46-D241 HydrophobicContact CD-CB 4.05Å; K46-D241 IonicContact NZ-OD1 2.65Å; K46-D241 IonicContact NZ-OD2 2.64Å; K46-D241 PolarHBondContact NZ-OD2 3.24Å; K46-L242 HydrophobicContact CB-CD2 3.91Å; K46-I245 HydrophobicContact CD-CD1 3.79Å |
| 47 | L | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -66.9 | 136.9 | 177.9 | -76.4 | 173.6 | 0 | 0 | 0 | 110.5 | C43 C44 T49 N54 L121 G122 L242 | C43-L47 PolarHBondContact O-N 2.84Å; C43-L47 VanDerWaalsContact O-N 3.1Å; C44-L47 PolarHBondContact O-N 2.88Å; L47-T49 PolarHBondContact O-N 2.88Å; L47-N54 PolarHBondContact O-ND2 2.9Å; L47-L121 HydrophobicContact CD2-CD2 3.67Å; L47-G122 VanDerWaalsContact CD1-CA 3.48Å; L47-L242 HydrophobicContact CD2-CD1 4.33Å; L47-L242 HydrophobicContact CD2-CD2 4.2Å | ||
| 48 | P | 84.5 | Confident | 83.2 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -79.7 | 4.5 | 179.6 | 32 | -35.6 | 0 | 0 | 0 | 114.9 | L60 D84 V118 W238 | P48-L60 HydrophobicContact CB-CD1 3.3Å; P48-D84 HydrophobicContact CG-CB 4.1Å; P48-V118 HydrophobicContact CG-CG1 3.42Å; P48-V118 VanDerWaalsContact CG-CG1 3.42Å; P48-W238 HydrophobicContact CG-CH2 4.09Å; P48-W238 HydrophobicContact CG-CZ3 4.26Å |
| 49 | T | 78 | Confident | 81.4 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 23% | 0.233 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -95.2 | 136.1 | 175.7 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | L47 N51 Q119 | L47-T49 PolarHBondContact O-N 2.88Å; T49-N51 PolarHBondContact O-N 3.33Å; T49-N51 VanDerWaalsContact O-N 3.15Å; T49-N51 PolarHBondContact O-ND2 3.47Å; T49-Q119 HydrophobicContact CG2-CG 4.33Å |
| 50 | R | 76.2 | Confident | 80.3 | Confident | 194 Ų | 194 | 58.1 Ų | 58.1 | 73% | 0.732 | 32% | 0.316 | S | S | * | . | trans | -58.5 | 122.9 | 175.8 | -174.5 | 178.8 | 176.9 | -175.6 | 0.2 | 109.3 | N54 A57 | R50-N54 WeakPolarHBondContact CA-O 3.4Å; R50-A57 HydrophobicContact CB-CB 4.08Å | ||
| 51 | N | 80 | Confident | 79.7 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.102 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -147.3 | 173.8 | 177.1 | 68.8 | 73.8 | 0 | 0 | 0 | 109.5 | C44 T49 F53 N54 E55 | C44-N51 PolarHBondContact O-ND2 2.94Å; T49-N51 PolarHBondContact O-N 3.33Å; T49-N51 VanDerWaalsContact O-N 3.15Å; T49-N51 PolarHBondContact O-ND2 3.47Å; N51-F53 PolarHBondContact O-N 2.62Å; N51-F53 WeakPolarHBondContact OD1-CA 3.3Å; N51-F53 WeakPolarHBondContact OD1-CB 3.43Å; N51-F53 PolarHBondContact OD1-N 2.88Å; N51-N54 PolarHBondContact N-O 2.86Å; N51-N54 CarbonylContact O-C 3.15Å; N51-N54 PolarHBondContact O-N 3.36Å; N51-N54 PolarHBondContact OD1-N 3.28Å; N51-N54 VanDerWaalsContact OD1-N 3.17Å; N51-E55 PolarHBondContact O-N 3.35Å |
| 52 | R | 79 | Confident | 79.4 | Confident | 143 Ų | 143 | 66.3 Ų | 66.3 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.9 | -177.2 | 72.5 | -176.4 | -176.8 | 174.8 | 5.6 | 114.8 | ||
| 53 | F | 80.6 | Confident | 79.4 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 28% | 0.276 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -5.7 | 177.9 | -54 | -67.5 | 0 | 0 | 0 | 113.4 | Q41 C44 N51 M129 | Q41-F53 HydrophobicContact CB-CE1 4.45Å; Q41-F53 HydrophobicContact CG-CD1 4.15Å; Q41-F53 HydrophobicContact CG-CE1 3.61Å; Q41-F53 HydrophobicContact CG-CE2 3.99Å; Q41-F53 HydrophobicContact CG-CZ 3.49Å; Q41-F53 VanDerWaalsContact CG-CZ 3.49Å; C44-F53 HydrophobicContact CB-CB 3.83Å; C44-F53 HydrophobicContact CB-CD2 3.45Å; C44-F53 VanDerWaalsContact CB-CD2 3.45Å; C44-F53 HydrophobicContact CB-CE2 4.38Å; C44-F53 HydrophobicContact CB-CG 4.05Å; N51-F53 PolarHBondContact O-N 2.62Å; N51-F53 WeakPolarHBondContact OD1-CA 3.3Å; N51-F53 WeakPolarHBondContact OD1-CB 3.43Å; N51-F53 PolarHBondContact OD1-N 2.88Å; F53-M129 HydrophobicContact CD2-CE 4.42Å; F53-M129 HydrophobicContact CD2-SD 4.37Å; F53-M129 HydrophobicContact CE2-CE 3.68Å; F53-M129 HydrophobicContact CE2-SD 3.55Å; F53-M129 VanDerWaalsContact CE2-SD 3.55Å; F53-M129 HydrophobicContact CZ-SD 4.38Å |
| 54 | N | 78.1 | Confident | 79.4 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 12% | 0.118 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -139.6 | 75.1 | 172.9 | -170.3 | 3 | 0 | 0 | 0 | 109 | L47 R50 N51 S56 A57 | L47-N54 PolarHBondContact O-ND2 2.9Å; R50-N54 WeakPolarHBondContact CA-O 3.4Å; N51-N54 PolarHBondContact N-O 2.86Å; N51-N54 CarbonylContact O-C 3.15Å; N51-N54 PolarHBondContact O-N 3.36Å; N51-N54 PolarHBondContact OD1-N 3.28Å; N51-N54 VanDerWaalsContact OD1-N 3.17Å; N54-S56 VanDerWaalsContact C-N 3.26Å; N54-A57 PolarHBondContact OD1-N 3.48Å; N54-A57 VanDerWaalsContact OD1-N 3.16Å |
| 55 | E | 71.3 | Confident | 79.6 | Confident | 140 Ų | 140 | 75.8 Ų | 75.8 | 65% | 0.654 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -31 | 178.6 | -63.2 | -170.7 | 168.8 | 0 | 0 | 111.7 | N51 A57 | N51-E55 PolarHBondContact O-N 3.35Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 3.49Å |
| 56 | S | 66.4 | Low | 79.9 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 20.4 | -177.7 | -54.6 | 0 | 0 | 0 | 0 | 113.5 | N54 S58 A59 | N54-S56 VanDerWaalsContact C-N 3.26Å; S56-S58 PolarHBondContact O-N 3.42Å; S56-A59 VanDerWaalsContact O-CB 3.31Å; S56-A59 WeakPolarHBondContact O-CB 3.32Å; S56-A59 PolarHBondContact O-N 2.95Å |
| 57 | A | 61.5 | Low | 80.2 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 7% | 0.074 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -53.2 | -24.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R50 N54 E55 A59 L60 | R50-A57 HydrophobicContact CB-CB 4.08Å; N54-A57 PolarHBondContact OD1-N 3.48Å; N54-A57 VanDerWaalsContact OD1-N 3.16Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 3.49Å; A57-A59 PolarHBondContact O-N 3.23Å; A57-L60 WeakPolarHBondContact O-CG 3.38Å |
| 58 | S | 51.1 | Low | 80.5 | Confident | 119 Ų | 119 | 77.7 Ų | 77.7 | 83% | 0.832 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -69.8 | -7.1 | 173.2 | -55.9 | 0 | 0 | 0 | 0 | 115.1 | S56 | S56-S58 PolarHBondContact O-N 3.42Š|
| 59 | A | 59.4 | Low | 81 | Confident | 76 Ų | 76 | 78 Ų | 78 | 63% | 0.628 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -101.5 | 11.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S56 A57 L61 | S56-A59 VanDerWaalsContact O-CB 3.31Å; S56-A59 WeakPolarHBondContact O-CB 3.32Å; S56-A59 PolarHBondContact O-N 2.95Å; A57-A59 PolarHBondContact O-N 3.23Å; A59-L61 PolarHBondContact O-N 3.4Å |
| 60 | L | 76 | Confident | 81.7 | Confident | 67 Ų | 67 | 81.5 Ų | 81.5 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 128.5 | 178.2 | -70.2 | 176 | 0 | 0 | 0 | 111.1 | P48 A57 | P48-L60 HydrophobicContact CB-CD1 3.3Å; A57-L60 WeakPolarHBondContact O-CG 3.38Å |
| 61 | L | 83.6 | Confident | 82.5 | Confident | 143 Ų | 143 | 76.2 Ų | 76.2 | 75% | 0.749 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 138 | 176.8 | -67.3 | 174.7 | 0 | 0 | 0 | 109.7 | A59 E63 | A59-L61 PolarHBondContact O-N 3.4Å; L61-E63 PolarHBondContact O-N 3.4Å |
| 62 | P | 89.3 | Confident | 83.2 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 57% | 0.571 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 128.4 | 172.5 | -19.4 | 30 | 0 | 0 | 0 | 111.6 | T80 L81 V82 | P62-T80 HydrophobicContact CB-CG2 3.67Å; P62-L81 WeakPolarHBondContact CA-O 3.39Å; P62-V82 HydrophobicContact CB-CG2 3.84Å; P62-V82 HydrophobicContact CG-CG2 3.89Å |
| 63 | E | 92.9 | Very high | 83.8 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.3 | 176.5 | -70.8 | -176.4 | -111.8 | 0 | 0 | 110.6 | L61 F65 T80 L81 | L61-E63 PolarHBondContact O-N 3.4Å; E63-F65 HydrophobicContact CB-CE2 3.6Å; E63-F65 HydrophobicContact CB-CZ 3.84Å; E63-T80 CarbonylContact O-C 3.49Å; E63-T80 VanDerWaalsContact O-CA 3.28Å; E63-T80 WeakPolarHBondContact O-CA 3.3Å; E63-L81 PolarHBondContact N-O 3.07Å; E63-L81 PolarHBondContact O-N 3.26Å |
| 64 | K | 95.1 | Very high | 84.6 | Confident | 125 Ų | 125 | 75.4 Ų | 75.4 | 54% | 0.543 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.8 | -177.9 | -172.6 | 178.5 | -177.7 | 176.8 | 0 | 111.3 | S78 F79 | K64-S78 WeakPolarHBondContact CE-OG 3.12Å; K64-F79 CarbonylContact C-O 3.51Å; K64-F79 WeakPolarHBondContact CA-O 3.32Å |
| 65 | F | 96.3 | Very high | 85.5 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 9% | 0.092 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.8 | 178 | -59.3 | -83.3 | 0 | 0 | 0 | 109.9 | E63 S78 F79 L81 V236 | E63-F65 HydrophobicContact CB-CE2 3.6Å; E63-F65 HydrophobicContact CB-CZ 3.84Å; F65-S78 CarbonylContact O-C 3.44Å; F65-S78 VanDerWaalsContact O-CA 3.26Å; F65-S78 WeakPolarHBondContact O-CA 3.36Å; F65-F79 PolarHBondContact N-O 3.19Å; F65-F79 PolarHBondContact O-N 3.49Å; F65-L81 HydrophobicContact CD2-CD1 3.95Å; F65-L81 HydrophobicContact CD2-CG 3.93Å; F65-L81 HydrophobicContact CE2-CB 4.15Å; F65-L81 HydrophobicContact CE2-CD1 3.67Å; F65-L81 HydrophobicContact CE2-CG 3.87Å; F65-V236 HydrophobicContact CD1-CG2 4.03Å; F65-V236 HydrophobicContact CE1-CB 4.19Å; F65-V236 HydrophobicContact CE1-CG1 4.08Å; F65-V236 HydrophobicContact CE1-CG2 3.8Å; F65-V236 HydrophobicContact CE2-CG1 4.49Å; F65-V236 HydrophobicContact CG-CG2 4.49Å; F65-V236 HydrophobicContact CZ-CB 4.36Å; F65-V236 HydrophobicContact CZ-CG1 3.77Å; F65-V236 HydrophobicContact CZ-CG2 4.07Å |
| 66 | N | 96.7 | Very high | 86.7 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 59% | 0.594 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.7 | 175.5 | -57.9 | -52.1 | 0 | 0 | 0 | 108.9 | S78 | N66-S78 WeakPolarHBondContact OD1-CB 3.36Å; N66-S78 PolarHBondContact OD1-OG 2.91Å |
| 67 | M | 96.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.025 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.3 | -174.1 | -54 | 157.1 | 74.5 | 0 | 0 | 109.3 | C77 F79 L210 F212 C232 C234 | M67-C77 PolarHBondContact N-O 3.46Å; M67-C77 PolarHBondContact O-N 3.41Å; M67-F79 HydrophobicContact SD-CD2 3.49Å; M67-F79 WeakPolarHBondContact SD-CD2 3.43Å; M67-F79 HydrophobicContact SD-CE2 3.69Å; M67-L210 WeakPolarHBondContact CE-O 3.48Å; M67-L210 HydrophobicContact SD-CD2 4.28Å; M67-F212 HydrophobicContact CE-CB 4.06Å; M67-C232 HydrophobicContact CB-CB 4.04Å; M67-C232 VanDerWaalsContact CE-O 3.29Å; M67-C232 WeakPolarHBondContact CE-O 3.23Å; M67-C234 HydrophobicContact CG-CB 3.65Å; M67-C234 WeakPolarHBondContact CG-SG 3.49Å; M67-C234 HydrophobicContact SD-CB 4.48Å; M67-C234 VanDerWaalsContact SD-SG 3.64Å |
| 68 | T | 97 | Very high | 89.8 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 42% | 0.423 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.8 | 173.4 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | L75 K76 C232 | T68-L75 CarbonylContact C-O 3.53Å; T68-L75 VanDerWaalsContact CA-O 3.23Å; T68-L75 WeakPolarHBondContact CA-O 3.44Å; T68-K76 HydrophobicContact CG2-CB 4.17Å; T68-K76 HydrophobicContact CG2-CD 4.46Å; T68-K76 HydrophobicContact CG2-CG 3.97Å; T68-C232 WeakPolarHBondContact O-CB 3.32Å |
| 69 | D | 95.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | trans | -63.3 | 173.1 | 166.7 | 64.8 | -19.2 | 0 | 0 | 0 | 111.4 | T71 G72 E73 N74 L75 E231 | D69-T71 PolarHBondContact O-N 3.03Å; D69-T71 VanDerWaalsContact O-N 3.17Å; D69-T71 PolarHBondContact OD2-OG1 3.34Å; D69-G72 PolarHBondContact O-N 3.05Å; D69-G72 VanDerWaalsContact OD1-CA 3.23Å; D69-G72 WeakPolarHBondContact OD1-CA 3.23Å; D69-G72 PolarHBondContact OD1-N 3.43Å; D69-E73 PolarHBondContact OD1-N 3.1Å; D69-N74 PolarHBondContact OD1-N 3.25Å; D69-N74 WeakPolarHBondContact OD2-CB 3.33Å; D69-N74 PolarHBondContact OD2-N 3.3Å; D69-N74 PolarHBondContact OD2-ND2 2.88Å; D69-L75 HydrophobicContact CB-CB 4.06Å; D69-L75 PolarHBondContact N-O 3.22Å; D69-L75 PolarHBondContact OD1-N 3.26Å; D69-L75 PolarHBondContact OD2-N 2.87Å; D69-E231 WeakPolarHBondContact CA-O 3.45Å; D69-E231 WeakPolarHBondContact CB-O 3.22Å | ||
| 70 | A | 93.4 | Very high | 93.5 | Very high | 113 Ų | 113 | 62.2 Ų | 62.2 | 93% | 0.934 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -58.1 | -29.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 71 | T | 93 | Very high | 94.2 | Very high | 83 Ų | 83 | 59.1 Ų | 59.1 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -89.4 | -23.2 | 177.1 | 68.8 | 0 | 0 | 0 | 0 | 112.8 | D69 E73 N74 | D69-T71 PolarHBondContact O-N 3.03Å; D69-T71 VanDerWaalsContact O-N 3.17Å; D69-T71 PolarHBondContact OD2-OG1 3.34Å; T71-E73 PolarHBondContact O-N 3.1Å; T71-E73 PolarHBondContact OG1-N 3.2Å; T71-N74 PolarHBondContact OG1-ND2 3.12Å; T71-N74 VanDerWaalsContact OG1-ND2 3.12Å |
| 72 | G | 93.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 76.7 | 2.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | D69 | D69-G72 PolarHBondContact O-N 3.05Å; D69-G72 VanDerWaalsContact OD1-CA 3.23Å; D69-G72 WeakPolarHBondContact OD1-CA 3.23Å; D69-G72 PolarHBondContact OD1-N 3.43Å |
| 73 | E | 93.3 | Very high | 94.4 | Very high | 143 Ų | 143 | 50.9 Ų | 50.9 | 67% | 0.668 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -108 | -34.1 | -168.7 | -63.6 | -177.2 | 162.4 | 0 | 0 | 113.1 | D69 T71 F102 | D69-E73 PolarHBondContact OD1-N 3.1Å; T71-E73 PolarHBondContact O-N 3.1Å; T71-E73 PolarHBondContact OG1-N 3.2Å; E73-F102 WeakPolarHBondContact O-CE1 3.36Å |
| 74 | N | 95.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -99.5 | -25.6 | -172.1 | -45.9 | -81.6 | 0 | 0 | 0 | 113.2 | D69 T71 V93 R94 Y230 | D69-N74 PolarHBondContact OD1-N 3.25Å; D69-N74 WeakPolarHBondContact OD2-CB 3.33Å; D69-N74 PolarHBondContact OD2-N 3.3Å; D69-N74 PolarHBondContact OD2-ND2 2.88Å; T71-N74 PolarHBondContact OG1-ND2 3.12Å; T71-N74 VanDerWaalsContact OG1-ND2 3.12Å; N74-V93 CarbonylContact O-C 3.57Å; N74-V93 VanDerWaalsContact O-CA 3.28Å; N74-V93 WeakPolarHBondContact O-CA 3.49Å; N74-R94 HydrophobicContact CB-CB 4.06Å; N74-R94 PolarHBondContact O-N 2.95Å; N74-R94 VanDerWaalsContact OD1-CD 3.23Å; N74-R94 WeakPolarHBondContact OD1-CD 3.38Å; N74-R94 PolarHBondContact OD1-NH1 3.08Å; N74-R94 VanDerWaalsContact OD1-NH1 3.11Å; N74-Y230 HydrophobicContact CB-CD1 3.51Å; N74-Y230 HydrophobicContact CB-CE1 3.41Å; N74-Y230 VanDerWaalsContact CB-CE1 3.41Å |
| 75 | L | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 125.5 | 178.8 | 177.4 | 63.7 | 0 | 0 | 0 | 110.7 | T68 D69 T92 V93 F212 V214 C232 | T68-L75 CarbonylContact C-O 3.53Å; T68-L75 VanDerWaalsContact CA-O 3.23Å; T68-L75 WeakPolarHBondContact CA-O 3.44Å; D69-L75 HydrophobicContact CB-CB 4.06Å; D69-L75 PolarHBondContact N-O 3.22Å; D69-L75 PolarHBondContact OD1-N 3.26Å; D69-L75 PolarHBondContact OD2-N 2.87Å; L75-T92 WeakPolarHBondContact CA-O 3.3Å; L75-V93 HydrophobicContact CD1-CB 3.87Å; L75-V93 HydrophobicContact CD1-CG2 4.02Å; L75-F212 HydrophobicContact CD1-CD1 4.29Å; L75-F212 HydrophobicContact CD1-CE1 4.02Å; L75-F212 HydrophobicContact CD2-CD1 4.22Å; L75-V214 HydrophobicContact CD1-CG2 3.96Å; L75-V214 HydrophobicContact CD2-CG2 4.39Å; L75-C232 HydrophobicContact CD2-CB 4.08Å; L75-C232 VanDerWaalsContact CD2-SG 3.58Å |
| 76 | K | 97.3 | Very high | 93.8 | Very high | 133 Ų | 133 | 41.9 Ų | 41.9 | 58% | 0.578 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 130.3 | 171 | 179.1 | 173.4 | -176.8 | 177.4 | 0 | 109 | T68 T92 | T68-K76 HydrophobicContact CG2-CB 4.17Å; T68-K76 HydrophobicContact CG2-CD 4.46Å; T68-K76 HydrophobicContact CG2-CG 3.97Å; K76-T92 PolarHBondContact N-O 2.99Å; K76-T92 PolarHBondContact O-N 3.24Å |
| 77 | C | 96.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 158.7 | 174.7 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | M67 F79 E90 I91 F212 C232 | M67-C77 PolarHBondContact N-O 3.46Å; M67-C77 PolarHBondContact O-N 3.41Å; C77-F79 HydrophobicContact CB-CE2 4Å; C77-F79 HydrophobicContact CB-CZ 4.36Å; C77-F79 WeakPolarHBondContact SG-CE2 3.37Å; C77-E90 CarbonylContact C-O 3.37Å; C77-E90 WeakPolarHBondContact CA-O 3.49Å; C77-E90 WeakPolarHBondContact CB-O 3.42Å; C77-I91 HydrophobicContact CB-CB 4.48Å; C77-I91 HydrophobicContact CB-CG1 3.81Å; C77-F212 HydrophobicContact CB-CD1 4.27Å; C77-F212 HydrophobicContact CB-CE1 4.29Å; C77-C232 PolarHBondContact SG-SG 2.88Å |
| 78 | S | 96.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 124.9 | 172.7 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | K64 F65 N66 A89 E90 | K64-S78 WeakPolarHBondContact CE-OG 3.12Å; F65-S78 CarbonylContact O-C 3.44Å; F65-S78 VanDerWaalsContact O-CA 3.26Å; F65-S78 WeakPolarHBondContact O-CA 3.36Å; N66-S78 WeakPolarHBondContact OD1-CB 3.36Å; N66-S78 PolarHBondContact OD1-OG 2.91Å; S78-A89 CarbonylContact O-C 3.59Å; S78-A89 WeakPolarHBondContact O-CA 3.42Å; S78-E90 PolarHBondContact N-O 3.03Å; S78-E90 PolarHBondContact O-N 2.94Å |
| 79 | F | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.6 | 175.9 | -65.7 | -78.1 | 0 | 0 | 0 | 109.6 | K64 F65 M67 C77 V86 K88 A89 I91 W113 L203 L210 F212 | K64-F79 CarbonylContact C-O 3.51Å; K64-F79 WeakPolarHBondContact CA-O 3.32Å; F65-F79 PolarHBondContact N-O 3.19Å; F65-F79 PolarHBondContact O-N 3.49Å; M67-F79 HydrophobicContact SD-CD2 3.49Å; M67-F79 WeakPolarHBondContact SD-CD2 3.43Å; M67-F79 HydrophobicContact SD-CE2 3.69Å; C77-F79 HydrophobicContact CB-CE2 4Å; C77-F79 HydrophobicContact CB-CZ 4.36Å; C77-F79 WeakPolarHBondContact SG-CE2 3.37Å; F79-V86 HydrophobicContact CD1-CG1 3.78Å; F79-K88 CarbonylContact C-O 3.38Å; F79-A89 HydrophobicContact CD1-CB 3.58Å; F79-A89 HydrophobicContact CE1-CB 3.69Å; F79-I91 HydrophobicContact CE1-CD1 4.42Å; F79-I91 HydrophobicContact CZ-CD1 4.43Å; F79-W113 HydrophobicContact CE1-CH2 4.26Å; F79-W113 AromaticContact CE1-CZ3 3.9Å; F79-W113 HydrophobicContact CE1-CZ3 3.9Å; F79-L203 HydrophobicContact CD1-CD2 4.32Å; F79-L203 HydrophobicContact CD2-CD1 4.42Å; F79-L203 HydrophobicContact CE1-CD1 4.1Å; F79-L203 HydrophobicContact CE1-CD2 4.08Å; F79-L203 HydrophobicContact CE2-CD1 3.89Å; F79-L203 HydrophobicContact CZ-CD1 3.73Å; F79-L210 HydrophobicContact CB-CD2 4.26Å; F79-L210 HydrophobicContact CD2-CD2 4.1Å; F79-L210 HydrophobicContact CG-CD2 4.27Å; F79-F212 HydrophobicContact CE2-CB 3.9Å; F79-F212 HydrophobicContact CE2-CD1 4.16Å; F79-F212 HydrophobicContact CE2-CD2 4.36Å; F79-F212 AromaticContact CE2-CG 3.9Å; F79-F212 HydrophobicContact CE2-CG 3.9Å; F79-F212 HydrophobicContact CZ-CB 4.1Å; F79-F212 AromaticContact CZ-CD1 3.96Å; F79-F212 HydrophobicContact CZ-CD1 3.96Å; F79-F212 AromaticContact CZ-CD2 3.69Å; F79-F212 HydrophobicContact CZ-CD2 3.69Å; F79-F212 HydrophobicContact CZ-CE1 4.23Å; F79-F212 AromaticContact CZ-CE2 4Å; F79-F212 HydrophobicContact CZ-CE2 4Å; F79-F212 AromaticContact CZ-CG 3.65Å; F79-F212 HydrophobicContact CZ-CG 3.65Å; F79-F212 HydrophobicContact CZ-CZ 4.22Å |
| 80 | T | 93.6 | Very high | 93.1 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.7 | 168.4 | -56.4 | 0 | 0 | 0 | 0 | 108.3 | P62 E63 A87 K88 | P62-T80 HydrophobicContact CB-CG2 3.67Å; E63-T80 CarbonylContact O-C 3.49Å; E63-T80 VanDerWaalsContact O-CA 3.28Å; E63-T80 WeakPolarHBondContact O-CA 3.3Å; T80-A87 PolarHBondContact O-N 3.44Å; T80-K88 PolarHBondContact N-O 2.94Å; T80-K88 PolarHBondContact O-N 3.44Å |
| 81 | L | 91.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 134.8 | 177.6 | -57.3 | -174.8 | 0 | 0 | 0 | 109.7 | P62 E63 F65 N85 V86 L115 L210 F239 | P62-L81 WeakPolarHBondContact CA-O 3.39Å; E63-L81 PolarHBondContact N-O 3.07Å; E63-L81 PolarHBondContact O-N 3.26Å; F65-L81 HydrophobicContact CD2-CD1 3.95Å; F65-L81 HydrophobicContact CD2-CG 3.93Å; F65-L81 HydrophobicContact CE2-CB 4.15Å; F65-L81 HydrophobicContact CE2-CD1 3.67Å; F65-L81 HydrophobicContact CE2-CG 3.87Å; L81-N85 WeakPolarHBondContact CA-O 3.47Å; L81-V86 HydrophobicContact CD2-CB 4.39Å; L81-V86 HydrophobicContact CD2-CG2 3.75Å; L81-L115 HydrophobicContact CD1-CD1 4.35Å; L81-L115 HydrophobicContact CD2-CD1 4.22Å; L81-L210 HydrophobicContact CD1-CD2 4.4Å; L81-F239 HydrophobicContact CD1-CZ 4.39Å |
| 82 | V | 89.2 | Confident | 93.4 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 30% | 0.303 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 94.4 | 164.8 | 179 | 0 | 0 | 0 | 0 | 105.7 | P62 D84 N85 A87 | P62-V82 HydrophobicContact CB-CG2 3.84Å; P62-V82 HydrophobicContact CG-CG2 3.89Å; V82-D84 PolarHBondContact O-N 3.47Å; V82-N85 PolarHBondContact N-O 3.25Å; V82-N85 PolarHBondContact O-N 3.32Å; V82-N85 VanDerWaalsContact O-N 3.12Å; V82-A87 HydrophobicContact CB-CB 4.25Å; V82-A87 HydrophobicContact CG2-CB 3.63Å |
| 83 | G | 88.2 | Confident | 93.6 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | -121 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N85 W238 | G83-N85 VanDerWaalsContact C-N 3.33Å; G83-W238 WeakPolarHBondContact O-CZ2 3.5Å |
| 84 | D | 89.7 | Confident | 93.7 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 10% | 0.102 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 0.8 | 176.1 | 69.8 | -29.1 | 0 | 0 | 0 | 113.4 | P48 V82 K114 L115 V118 Q119 | P48-D84 HydrophobicContact CG-CB 4.1Å; V82-D84 PolarHBondContact O-N 3.47Å; D84-K114 CarbonylContact O-C 3.53Å; D84-K114 WeakPolarHBondContact O-CA 3.36Å; D84-L115 WeakPolarHBondContact O-CB 3.47Å; D84-L115 PolarHBondContact O-N 2.98Å; D84-V118 HydrophobicContact CB-CB 3.84Å; D84-V118 HydrophobicContact CB-CG1 3.91Å; D84-V118 HydrophobicContact CB-CG2 4.41Å; D84-Q119 WeakPolarHBondContact OD2-CG 3.26Å; D84-Q119 PolarHBondContact OD2-NE2 3.16Å |
| 85 | N | 89.3 | Confident | 93.6 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.8 | -175.7 | -172.3 | 51.7 | 0 | 0 | 0 | 112 | L81 V82 G83 A87 Q112 W113 | L81-N85 WeakPolarHBondContact CA-O 3.47Å; V82-N85 PolarHBondContact N-O 3.25Å; V82-N85 PolarHBondContact O-N 3.32Å; V82-N85 VanDerWaalsContact O-N 3.12Å; G83-N85 VanDerWaalsContact C-N 3.33Å; N85-A87 PolarHBondContact O-N 3.06Å; N85-A87 VanDerWaalsContact O-N 3.17Å; N85-Q112 VanDerWaalsContact OD1-CA 3.32Å; N85-Q112 WeakPolarHBondContact OD1-CA 3.38Å; N85-Q112 VanDerWaalsContact OD1-CB 3.28Å; N85-Q112 WeakPolarHBondContact OD1-CB 3.42Å; N85-W113 PolarHBondContact OD1-N 3.17Å; N85-W113 PolarHBondContact OD1-O 3.23Å |
| 86 | V | 91.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 98.2 | 165 | -179 | 0 | 0 | 0 | 0 | 107.5 | F79 L81 A89 W113 L115 L203 | F79-V86 HydrophobicContact CD1-CG1 3.78Å; L81-V86 HydrophobicContact CD2-CB 4.39Å; L81-V86 HydrophobicContact CD2-CG2 3.75Å; V86-A89 HydrophobicContact CG1-CB 4.13Å; V86-W113 HydrophobicContact CB-CB 4.03Å; V86-W113 HydrophobicContact CB-CD2 4.32Å; V86-W113 HydrophobicContact CB-CE3 4.28Å; V86-W113 HydrophobicContact CB-CG 4.19Å; V86-W113 WeakPolarHBondContact CB-O 3.48Å; V86-W113 HydrophobicContact CG1-CE3 4.07Å; V86-W113 HydrophobicContact CG2-CB 4.47Å; V86-W113 HydrophobicContact CG2-CD2 4.16Å; V86-W113 HydrophobicContact CG2-CE3 4.37Å; V86-W113 HydrophobicContact CG2-CG 4.15Å; V86-W113 PolarHBondContact N-O 2.99Å; V86-L115 HydrophobicContact CG2-CD2 4.47Å; V86-L203 HydrophobicContact CG2-CD2 3.52Å |
| 87 | A | 89.4 | Confident | 92.9 | Very high | 29 Ų | 29 | 31.2 Ų | 31.2 | 24% | 0.24 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -30.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T80 V82 N85 | T80-A87 PolarHBondContact O-N 3.44Å; V82-A87 HydrophobicContact CB-CB 4.25Å; V82-A87 HydrophobicContact CG2-CB 3.63Å; N85-A87 PolarHBondContact O-N 3.06Å; N85-A87 VanDerWaalsContact O-N 3.17Å |
| 88 | K | 91.8 | Very high | 92.7 | Very high | 95 Ų | 95 | 33.4 Ų | 33.4 | 41% | 0.413 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 143.7 | 174.1 | -171.9 | 178.4 | 175.4 | -169.9 | 0 | 109.4 | F79 T80 E90 | F79-K88 CarbonylContact C-O 3.38Å; T80-K88 PolarHBondContact N-O 2.94Å; T80-K88 PolarHBondContact O-N 3.44Å; K88-E90 WeakPolarHBondContact CE-OE1 3.45Å; K88-E90 IonicContact NZ-OE1 3.41Å; K88-E90 PolarHBondContact NZ-OE1 2.95Å |
| 89 | A | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 143.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S78 F79 V86 I91 V106 V107 | S78-A89 CarbonylContact O-C 3.59Å; S78-A89 WeakPolarHBondContact O-CA 3.42Å; F79-A89 HydrophobicContact CD1-CB 3.58Å; F79-A89 HydrophobicContact CE1-CB 3.69Å; V86-A89 HydrophobicContact CG1-CB 4.13Å; A89-I91 HydrophobicContact CB-CD1 4.29Å; A89-V106 CarbonylContact O-C 3.54Å; A89-V106 VanDerWaalsContact O-CA 3.23Å; A89-V106 WeakPolarHBondContact O-CA 3.45Å; A89-V107 HydrophobicContact CB-CB 3.89Å; A89-V107 HydrophobicContact CB-CG2 3.66Å; A89-V107 PolarHBondContact O-N 3.23Å |
| 90 | E | 95.5 | Very high | 92.4 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.6 | 171.1 | -64.6 | 173.4 | -179.7 | 0 | 0 | 107 | C77 S78 K88 V106 | C77-E90 CarbonylContact C-O 3.37Å; C77-E90 WeakPolarHBondContact CA-O 3.49Å; C77-E90 WeakPolarHBondContact CB-O 3.42Å; S78-E90 PolarHBondContact N-O 3.03Å; S78-E90 PolarHBondContact O-N 2.94Å; K88-E90 WeakPolarHBondContact CE-OE1 3.45Å; K88-E90 IonicContact NZ-OE1 3.41Å; K88-E90 PolarHBondContact NZ-OE1 2.95Å; E90-V106 HydrophobicContact CG-CG1 4.19Å |
| 91 | I | 96 | Very high | 92.5 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.7 | -171.8 | -67.2 | 156.6 | 0 | 0 | 0 | 109.3 | C77 F79 A89 R104 A105 F191 F201 F212 | C77-I91 HydrophobicContact CB-CB 4.48Å; C77-I91 HydrophobicContact CB-CG1 3.81Å; F79-I91 HydrophobicContact CE1-CD1 4.42Å; F79-I91 HydrophobicContact CZ-CD1 4.43Å; A89-I91 HydrophobicContact CB-CD1 4.29Å; I91-R104 CarbonylContact O-C 3.52Å; I91-R104 VanDerWaalsContact O-CA 3.27Å; I91-R104 WeakPolarHBondContact O-CA 3.41Å; I91-A105 PolarHBondContact N-O 2.88Å; I91-A105 PolarHBondContact O-N 3.4Å; I91-F191 HydrophobicContact CD1-CD1 4.32Å; I91-F191 HydrophobicContact CD1-CE1 3.46Å; I91-F191 VanDerWaalsContact CD1-CE1 3.46Å; I91-F191 HydrophobicContact CD1-CZ 4.25Å; I91-F201 HydrophobicContact CG2-CE1 4.27Å; I91-F212 HydrophobicContact CD1-CE1 4.08Å; I91-F212 HydrophobicContact CD1-CE2 4.33Å; I91-F212 HydrophobicContact CD1-CZ 3.56Å; I91-F212 HydrophobicContact CG1-CE1 4.01Å; I91-F212 HydrophobicContact CG1-CZ 4.02Å; I91-F212 HydrophobicContact CG2-CE1 3.98Å; I91-F212 HydrophobicContact CG2-CZ 4.2Å |
| 92 | T | 97.2 | Very high | 92.7 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 27% | 0.27 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 117.9 | 170.9 | -63.1 | 0 | 0 | 0 | 0 | 107.9 | L75 K76 F102 Y103 R104 | L75-T92 WeakPolarHBondContact CA-O 3.3Å; K76-T92 PolarHBondContact N-O 2.99Å; K76-T92 PolarHBondContact O-N 3.24Å; T92-F102 HydrophobicContact CG2-CB 4.39Å; T92-F102 HydrophobicContact CG2-CD1 3.8Å; T92-F102 HydrophobicContact CG2-CE1 4.48Å; T92-F102 HydrophobicContact CG2-CG 4.32Å; T92-Y103 WeakPolarHBondContact CA-O 3.18Å; T92-R104 HydrophobicContact CG2-CG 4.01Å |
| 93 | V | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.6 | 179.9 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | N74 L75 H95 F102 Y103 L199 F201 V214 Y230 | N74-V93 CarbonylContact O-C 3.57Å; N74-V93 VanDerWaalsContact O-CA 3.28Å; N74-V93 WeakPolarHBondContact O-CA 3.49Å; L75-V93 HydrophobicContact CD1-CB 3.87Å; L75-V93 HydrophobicContact CD1-CG2 4.02Å; V93-H95 PolarHBondContact O-N 3.28Å; V93-F102 CarbonylContact O-C 3.54Å; V93-F102 VanDerWaalsContact O-CA 3.29Å; V93-F102 WeakPolarHBondContact O-CA 3.36Å; V93-Y103 HydrophobicContact CG1-CD1 3.95Å; V93-Y103 HydrophobicContact CG1-CG 4.45Å; V93-Y103 PolarHBondContact N-O 2.93Å; V93-Y103 PolarHBondContact O-N 3.41Å; V93-L199 HydrophobicContact CG1-CD1 4.01Å; V93-F201 HydrophobicContact CG1-CE1 4.5Å; V93-V214 HydrophobicContact CG1-CG1 4.24Å; V93-V214 HydrophobicContact CG2-CB 4.01Å; V93-V214 HydrophobicContact CG2-CG1 3.98Å; V93-V214 HydrophobicContact CG2-CG2 4.21Å; V93-Y230 HydrophobicContact CG2-CD2 3.61Å; V93-Y230 HydrophobicContact CG2-CE2 4.12Å; V93-Y230 HydrophobicContact CG2-CG 3.96Å |
| 94 | R | 95.7 | Very high | 93.5 | Very high | 113 Ų | 113 | 53.5 Ų | 53.5 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 134.9 | 176 | -174.8 | 175.1 | -178.6 | 176 | -0.1 | 110.5 | N74 H101 F102 Y230 | N74-R94 HydrophobicContact CB-CB 4.06Å; N74-R94 PolarHBondContact O-N 2.95Å; N74-R94 VanDerWaalsContact OD1-CD 3.23Å; N74-R94 WeakPolarHBondContact OD1-CD 3.38Å; N74-R94 PolarHBondContact OD1-NH1 3.08Å; N74-R94 VanDerWaalsContact OD1-NH1 3.11Å; R94-H101 CarbonylContact C-O 3.57Å; R94-H101 WeakPolarHBondContact CA-O 3.41Å; R94-F102 HydrophobicContact CB-CD1 4.4Å; R94-F102 HydrophobicContact CB-CE1 4.15Å; R94-Y230 HydrophobicContact CB-CE1 4.19Å |
| 95 | H | 94.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | trans | -138.4 | 108.1 | 177.6 | -169 | -62.8 | 0 | 0 | 0 | 109.6 | V93 K97 L98 H101 D198 | V93-H95 PolarHBondContact O-N 3.28Å; H95-K97 VanDerWaalsContact C-N 3.27Å; H95-K97 PolarHBondContact ND1-N 2.96Å; H95-K97 PolarHBondContact O-N 3.38Å; H95-K97 VanDerWaalsContact O-N 3.15Å; H95-L98 HydrophobicContact CB-CB 4.25Å; H95-L98 HydrophobicContact CB-CD1 3.8Å; H95-L98 HydrophobicContact CB-CG 4.01Å; H95-L98 PolarHBondContact ND1-N 2.91Å; H95-L98 PolarHBondContact O-N 2.65Å; H95-H101 PolarHBondContact N-O 3.49Å; H95-H101 CarbonylContact O-C 3.37Å; H95-H101 WeakPolarHBondContact O-CA 3.34Å; H95-D198 IonicContact CE1-OD2 3.49Å; H95-D198 IonicContact NE2-OD1 3.48Å; H95-D198 PolarHBondContact NE2-OD1 3.49Å; H95-D198 IonicContact NE2-OD2 3.3Å; H95-D198 PolarHBondContact NE2-OD2 3.07Å | ||
| 96 | P | 89.7 | Confident | 94 | Very high | 41 Ų | 41 | 55 Ų | 55 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -36.8 | -171.4 | -28.2 | 35.4 | 0 | 0 | 0 | 114.7 | Y216 | P96-Y216 HydrophobicContact CG-CD1 4.38Å; P96-Y216 HydrophobicContact CG-CE1 3.86Å |
| 97 | K | 89.4 | Confident | 93.9 | Very high | 110 Ų | 110 | 55.2 Ų | 55.2 | 48% | 0.478 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -7.9 | -173.4 | -60 | 177.1 | 176.4 | 169.2 | 0 | 115.8 | H95 Y216 D225 | H95-K97 VanDerWaalsContact C-N 3.27Å; H95-K97 PolarHBondContact ND1-N 2.96Å; H95-K97 PolarHBondContact O-N 3.38Å; H95-K97 VanDerWaalsContact O-N 3.15Å; K97-Y216 VanDerWaalsContact CE-OH 3.29Å; K97-Y216 WeakPolarHBondContact CE-OH 3.49Å; K97-D225 WeakPolarHBondContact CE-OD2 3.42Å; K97-D225 IonicContact NZ-OD2 2.85Å; K97-D225 PolarHBondContact NZ-OD2 2.92Å |
| 98 | L | 91.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -81.3 | 143.9 | 177.9 | -73.7 | 179.2 | 0 | 0 | 0 | 109.6 | H95 S100 H101 Y103 | H95-L98 HydrophobicContact CB-CB 4.25Å; H95-L98 HydrophobicContact CB-CD1 3.8Å; H95-L98 HydrophobicContact CB-CG 4.01Å; H95-L98 PolarHBondContact ND1-N 2.91Å; H95-L98 PolarHBondContact O-N 2.65Å; L98-S100 PolarHBondContact O-N 2.85Å; L98-S100 VanDerWaalsContact O-N 3.16Å; L98-H101 WeakPolarHBondContact O-CA 3.47Å; L98-H101 PolarHBondContact O-N 3.31Å; L98-Y103 HydrophobicContact CD1-CD2 4.3Å |
| 99 | P | 91.9 | Very high | 92.7 | Very high | 126 Ų | 126 | 57.2 Ų | 57.2 | 82% | 0.818 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -32.1 | 178.6 | -26.3 | 34.2 | 0 | 0 | 0 | 113.9 | H101 | P99-H101 VanDerWaalsContact C-N 3.28Š|
| 100 | S | 93.8 | Very high | 91.7 | Very high | 60 Ų | 60 | 63 Ų | 63 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8.5 | 175.7 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | L98 F102 | L98-S100 PolarHBondContact O-N 2.85Å; L98-S100 VanDerWaalsContact O-N 3.16Å; S100-F102 VanDerWaalsContact O-CD2 3.32Å; S100-F102 WeakPolarHBondContact O-CD2 3.38Å; S100-F102 PolarHBondContact O-N 3.34Å; S100-F102 PolarHBondContact OG-N 2.84Å; S100-F102 PolarHBondContact OG-O 3.15Å |
| 101 | H | 94.9 | Very high | 90.6 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 52% | 0.523 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 56.3 | 7.4 | -163.7 | -57.2 | -62.2 | 0 | 0 | 0 | 115.6 | R94 H95 L98 P99 | R94-H101 CarbonylContact C-O 3.57Å; R94-H101 WeakPolarHBondContact CA-O 3.41Å; H95-H101 PolarHBondContact N-O 3.49Å; H95-H101 CarbonylContact O-C 3.37Å; H95-H101 WeakPolarHBondContact O-CA 3.34Å; L98-H101 WeakPolarHBondContact O-CA 3.47Å; L98-H101 PolarHBondContact O-N 3.31Å; P99-H101 VanDerWaalsContact C-N 3.28Å |
| 102 | F | 96.8 | Very high | 89.5 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 26% | 0.263 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 129.9 | -176.8 | -72.8 | -81.8 | 0 | 0 | 0 | 110.9 | E73 T92 V93 R94 S100 | E73-F102 WeakPolarHBondContact O-CE1 3.36Å; T92-F102 HydrophobicContact CG2-CB 4.39Å; T92-F102 HydrophobicContact CG2-CD1 3.8Å; T92-F102 HydrophobicContact CG2-CE1 4.48Å; T92-F102 HydrophobicContact CG2-CG 4.32Å; V93-F102 CarbonylContact O-C 3.54Å; V93-F102 VanDerWaalsContact O-CA 3.29Å; V93-F102 WeakPolarHBondContact O-CA 3.36Å; R94-F102 HydrophobicContact CB-CD1 4.4Å; R94-F102 HydrophobicContact CB-CE1 4.15Å; S100-F102 VanDerWaalsContact O-CD2 3.32Å; S100-F102 WeakPolarHBondContact O-CD2 3.38Å; S100-F102 PolarHBondContact O-N 3.34Å; S100-F102 PolarHBondContact OG-N 2.84Å; S100-F102 PolarHBondContact OG-O 3.15Å |
| 103 | Y | 96.4 | Very high | 89 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 128.2 | 162.5 | 175.6 | -105.3 | 0 | 0 | 0 | 109 | T92 V93 L98 A105 P193 L194 P195 P196 L199 F201 | T92-Y103 WeakPolarHBondContact CA-O 3.18Å; V93-Y103 HydrophobicContact CG1-CD1 3.95Å; V93-Y103 HydrophobicContact CG1-CG 4.45Å; V93-Y103 PolarHBondContact N-O 2.93Å; V93-Y103 PolarHBondContact O-N 3.41Å; L98-Y103 HydrophobicContact CD1-CD2 4.3Å; Y103-A105 HydrophobicContact CD1-CB 4.5Å; Y103-A105 HydrophobicContact CE1-CB 3.57Å; Y103-A105 HydrophobicContact CE2-CB 4.4Å; Y103-A105 WeakPolarHBondContact OH-CB 3.37Å; Y103-P193 HydrophobicContact CE2-CG 4.01Å; Y103-P193 PolarHBondContact OH-O 3.37Å; Y103-L194 VanDerWaalsContact OH-C 3.29Å; Y103-L194 PolarHBondContact OH-O 3.43Å; Y103-P195 WeakPolarHBondContact OH-CA 3.48Å; Y103-P195 VanDerWaalsContact OH-N 3.17Å; Y103-P196 HydrophobicContact CD2-CG 4.03Å; Y103-P196 VanDerWaalsContact CE2-CD 3.42Å; Y103-P196 HydrophobicContact CE2-CG 4.35Å; Y103-L199 HydrophobicContact CD1-CD1 3.84Å; Y103-L199 HydrophobicContact CG-CD1 3.94Å; Y103-F201 AromaticContact CD1-CZ 3.9Å; Y103-F201 HydrophobicContact CD1-CZ 3.9Å; Y103-F201 HydrophobicContact CE1-CE1 4.35Å; Y103-F201 HydrophobicContact CE1-CE2 4.43Å; Y103-F201 AromaticContact CE1-CZ 3.63Å; Y103-F201 HydrophobicContact CE1-CZ 3.63Å |
| 104 | R | 97 | Very high | 88.5 | Confident | 150 Ų | 150 | 67.8 Ų | 67.8 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.9 | 178 | -62.4 | -175.7 | -176 | 125.7 | 2.6 | 108.9 | I91 T92 P193 | I91-R104 CarbonylContact O-C 3.52Å; I91-R104 VanDerWaalsContact O-CA 3.27Å; I91-R104 WeakPolarHBondContact O-CA 3.41Å; T92-R104 HydrophobicContact CG2-CG 4.01Å; R104-P193 VanDerWaalsContact O-CD 3.29Å; R104-P193 WeakPolarHBondContact O-CD 3.36Å |
| 105 | A | 95.4 | Very high | 88.2 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 156.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | I91 Y103 F191 V192 | I91-A105 PolarHBondContact N-O 2.88Å; I91-A105 PolarHBondContact O-N 3.4Å; Y103-A105 HydrophobicContact CD1-CB 4.5Å; Y103-A105 HydrophobicContact CE1-CB 3.57Å; Y103-A105 HydrophobicContact CE2-CB 4.4Å; Y103-A105 WeakPolarHBondContact OH-CB 3.37Å; A105-F191 HydrophobicContact CB-CB 4.29Å; A105-F191 HydrophobicContact CB-CD1 3.98Å; A105-V192 VanDerWaalsContact CA-O 3.32Å; A105-V192 WeakPolarHBondContact CA-O 3.32Å |
| 106 | V | 94.2 | Very high | 88 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.9 | 170 | -60.9 | 0 | 0 | 0 | 0 | 110 | A89 E90 F191 V192 | A89-V106 CarbonylContact O-C 3.54Å; A89-V106 VanDerWaalsContact O-CA 3.23Å; A89-V106 WeakPolarHBondContact O-CA 3.45Å; E90-V106 HydrophobicContact CG-CG1 4.19Å; V106-F191 CarbonylContact O-C 3.54Å; V106-F191 WeakPolarHBondContact O-CA 3.3Å; V106-V192 HydrophobicContact CG2-CB 4.21Å; V106-V192 PolarHBondContact N-O 2.89Å; V106-V192 PolarHBondContact O-N 2.98Å |
| 107 | V | 89.7 | Confident | 88.2 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.1 | 172.5 | 164.3 | 0 | 0 | 0 | 0 | 110.1 | A89 W113 C190 F191 | A89-V107 HydrophobicContact CB-CB 3.89Å; A89-V107 HydrophobicContact CB-CG2 3.66Å; A89-V107 PolarHBondContact O-N 3.23Å; V107-W113 HydrophobicContact CG2-CE3 4.24Å; V107-W113 HydrophobicContact CG2-CZ3 4.31Å; V107-C190 CarbonylContact C-O 3.57Å; V107-C190 VanDerWaalsContact CA-O 3.3Å; V107-C190 WeakPolarHBondContact CA-O 3.5Å; V107-C190 HydrophobicContact CG1-CB 4.01Å; V107-C190 HydrophobicContact CG2-CB 4.35Å; V107-F191 HydrophobicContact CG2-CD1 4.33Å; V107-F191 HydrophobicContact CG2-CE1 4.38Å |
| 108 | Q | 81.8 | Confident | 88.3 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | trans | -63.3 | 130.9 | 175.6 | -69.2 | -178.7 | 86.8 | 0 | 0 | 110.4 | D110 I111 K189 C190 V192 | Q108-D110 PolarHBondContact O-N 3.03Å; Q108-I111 PolarHBondContact O-N 3.17Å; Q108-K189 PolarHBondContact NE2-O 3.09Å; Q108-C190 PolarHBondContact N-O 3.03Å; Q108-V192 HydrophobicContact CG-CB 4.42Å; Q108-V192 HydrophobicContact CG-CG2 3.36Å | ||
| 109 | P | 73.6 | Confident | 88.3 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 68% | 0.682 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -23.7 | -176.7 | 27.7 | -35.1 | 0 | 0 | 0 | 113.3 | I111 | P109-I111 VanDerWaalsContact C-N 3.33Š|
| 110 | D | 74.6 | Confident | 88.4 | Confident | 120 Ų | 120 | 56.5 Ų | 56.5 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.9 | -176 | 33.9 | -58 | 0 | 0 | 0 | 113.4 | Q108 | Q108-D110 PolarHBondContact O-N 3.03Š|
| 111 | I | 72.1 | Confident | 88.5 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -112.6 | 107.4 | 175.3 | -49.7 | 175.9 | 0 | 0 | 0 | 110 | Q108 P109 W113 K189 C190 | Q108-I111 PolarHBondContact O-N 3.17Å; P109-I111 VanDerWaalsContact C-N 3.33Å; I111-W113 PolarHBondContact O-N 3.15Å; I111-K189 HydrophobicContact CD1-CB 4.42Å; I111-C190 HydrophobicContact CB-CB 4.47Å; I111-C190 WeakPolarHBondContact CG2-SG 3.39Å |
| 112 | Q | 73.6 | Confident | 88.5 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | trans | -67.3 | 116.2 | 178.6 | -67.4 | -175.1 | -2.5 | 0 | 0 | 111.8 | N85 K114 | N85-Q112 VanDerWaalsContact OD1-CA 3.32Å; N85-Q112 WeakPolarHBondContact OD1-CA 3.38Å; N85-Q112 VanDerWaalsContact OD1-CB 3.28Å; N85-Q112 WeakPolarHBondContact OD1-CB 3.42Å; Q112-K114 HydrophobicContact CB-CG 4.34Å | ||
| 113 | W | 85.1 | Confident | 88.4 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 97.8 | 167.5 | 176.3 | 6.8 | 0 | 0 | 0 | 109.1 | F79 N85 V86 V107 I111 L187 F191 L203 F212 | F79-W113 HydrophobicContact CE1-CH2 4.26Å; F79-W113 AromaticContact CE1-CZ3 3.9Å; F79-W113 HydrophobicContact CE1-CZ3 3.9Å; N85-W113 PolarHBondContact OD1-N 3.17Å; N85-W113 PolarHBondContact OD1-O 3.23Å; V86-W113 HydrophobicContact CB-CB 4.03Å; V86-W113 HydrophobicContact CB-CD2 4.32Å; V86-W113 HydrophobicContact CB-CE3 4.28Å; V86-W113 HydrophobicContact CB-CG 4.19Å; V86-W113 WeakPolarHBondContact CB-O 3.48Å; V86-W113 HydrophobicContact CG1-CE3 4.07Å; V86-W113 HydrophobicContact CG2-CB 4.47Å; V86-W113 HydrophobicContact CG2-CD2 4.16Å; V86-W113 HydrophobicContact CG2-CE3 4.37Å; V86-W113 HydrophobicContact CG2-CG 4.15Å; V86-W113 PolarHBondContact N-O 2.99Å; V107-W113 HydrophobicContact CG2-CE3 4.24Å; V107-W113 HydrophobicContact CG2-CZ3 4.31Å; I111-W113 PolarHBondContact O-N 3.15Å; W113-L187 HydrophobicContact CB-CD2 3.97Å; W113-L187 HydrophobicContact CD2-CD2 3.88Å; W113-L187 HydrophobicContact CG-CD2 3.46Å; W113-L187 VanDerWaalsContact CG-CD2 3.46Å; W113-L187 HydrophobicContact CZ2-CD1 4.09Å; W113-F191 HydrophobicContact CH2-CZ 4.29Å; W113-F191 HydrophobicContact CZ3-CZ 4.16Å; W113-L203 HydrophobicContact CD2-CD2 4.14Å; W113-L203 HydrophobicContact CE3-CD2 4.41Å; W113-L203 HydrophobicContact CH2-CB 3.75Å; W113-L203 HydrophobicContact CH2-CD2 3.99Å; W113-L203 HydrophobicContact CH2-CG 4.45Å; W113-L203 HydrophobicContact CZ2-CB 3.16Å; W113-L203 HydrophobicContact CZ2-CD2 3.69Å; W113-L203 HydrophobicContact CZ2-CG 4.06Å; W113-L203 HydrophobicContact CZ3-CD2 4.32Å; W113-F212 HydrophobicContact CH2-CE2 4.05Å |
| 114 | K | 86.8 | Confident | 88.4 | Confident | 83 Ų | 83 | 53 Ų | 53 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140 | -176.4 | -59.2 | -160.4 | -179.9 | -169.8 | 0 | 112.7 | D84 Q112 Q116 Q119 | D84-K114 CarbonylContact O-C 3.53Å; D84-K114 WeakPolarHBondContact O-CA 3.36Å; Q112-K114 HydrophobicContact CB-CG 4.34Å; K114-Q116 PolarHBondContact O-N 2.84Å; K114-Q119 VanDerWaalsContact CD-NE2 3.27Å |
| 115 | L | 90.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -83.7 | 88.8 | 170.9 | -61.1 | 177.5 | 0 | 0 | 0 | 109.1 | L81 D84 V86 Q117 V118 L203 I205 L210 F239 | L81-L115 HydrophobicContact CD1-CD1 4.35Å; L81-L115 HydrophobicContact CD2-CD1 4.22Å; D84-L115 WeakPolarHBondContact O-CB 3.47Å; D84-L115 PolarHBondContact O-N 2.98Å; V86-L115 HydrophobicContact CG2-CD2 4.47Å; L115-Q117 PolarHBondContact O-N 2.86Å; L115-Q117 VanDerWaalsContact O-N 3.09Å; L115-V118 HydrophobicContact CB-CG2 3.83Å; L115-V118 HydrophobicContact CD1-CG2 4.38Å; L115-V118 WeakPolarHBondContact O-CB 3.46Å; L115-V118 PolarHBondContact O-N 3.39Å; L115-L203 HydrophobicContact CD2-CD2 3.84Å; L115-L203 HydrophobicContact CD2-CG 4.16Å; L115-I205 HydrophobicContact CD1-CD1 4.41Å; L115-L210 HydrophobicContact CD1-CD1 4.26Å; L115-L210 HydrophobicContact CD2-CD1 4.23Å; L115-F239 HydrophobicContact CD1-CZ 4.14Å | ||
| 116 | Q | 89.5 | Confident | 88.4 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.2 | -34.7 | -176.8 | -170.3 | 58.6 | 49.6 | 0 | 0 | 112.9 | K114 V118 Q119 D120 | K114-Q116 PolarHBondContact O-N 2.84Å; Q116-V118 PolarHBondContact O-N 3.4Å; Q116-Q119 WeakPolarHBondContact O-CB 3.32Å; Q116-Q119 PolarHBondContact O-N 3.37Å; Q116-D120 PolarHBondContact NE2-OD1 3.41Å; Q116-D120 VanDerWaalsContact O-CG 3.28Å; Q116-D120 PolarHBondContact O-N 3.21Å |
| 117 | Q | 93.4 | Very high | 88.5 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.1 | -36 | 176.9 | -70.2 | 171.2 | -86.8 | 0 | 0 | 113.1 | L115 L121 V169 F170 I205 | L115-Q117 PolarHBondContact O-N 2.86Å; L115-Q117 VanDerWaalsContact O-N 3.09Å; Q117-L121 WeakPolarHBondContact O-CB 3.29Å; Q117-L121 PolarHBondContact O-N 3.19Å; Q117-V169 VanDerWaalsContact CA-CG1 3.44Å; Q117-V169 HydrophobicContact CB-CG1 3.61Å; Q117-V169 HydrophobicContact CG-CG1 3.91Å; Q117-V169 PolarHBondContact NE2-O 3.37Å; Q117-V169 WeakPolarHBondContact O-CG1 3.44Å; Q117-F170 WeakPolarHBondContact O-CE1 3.26Å; Q117-I205 HydrophobicContact CB-CD1 4.19Å; Q117-I205 PolarHBondContact NE2-O 2.85Å |
| 118 | V | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.7 | -40.8 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | P48 D84 L115 Q116 G122 F170 I205 W238 F239 | P48-V118 HydrophobicContact CG-CG1 3.42Å; P48-V118 VanDerWaalsContact CG-CG1 3.42Å; D84-V118 HydrophobicContact CB-CB 3.84Å; D84-V118 HydrophobicContact CB-CG1 3.91Å; D84-V118 HydrophobicContact CB-CG2 4.41Å; L115-V118 HydrophobicContact CB-CG2 3.83Å; L115-V118 HydrophobicContact CD1-CG2 4.38Å; L115-V118 WeakPolarHBondContact O-CB 3.46Å; L115-V118 PolarHBondContact O-N 3.39Å; Q116-V118 PolarHBondContact O-N 3.4Å; V118-G122 PolarHBondContact O-N 3.19Å; V118-G122 VanDerWaalsContact O-N 3.13Å; V118-F170 HydrophobicContact CG2-CE1 4.37Å; V118-F170 HydrophobicContact CG2-CZ 4.03Å; V118-I205 HydrophobicContact CG2-CD1 3.53Å; V118-W238 HydrophobicContact CG1-CH2 4.01Å; V118-W238 HydrophobicContact CG1-CZ3 4.01Å; V118-W238 HydrophobicContact CG2-CH2 4.02Å; V118-W238 HydrophobicContact CG2-CZ3 4.41Å; V118-F239 HydrophobicContact CG2-CE1 4.23Å |
| 119 | Q | 91.4 | Very high | 89.6 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -44.1 | 175.7 | -65.2 | -176.9 | 6.6 | 0 | 0 | 111.6 | T49 D84 K114 Q116 G122 N123 | T49-Q119 HydrophobicContact CG2-CG 4.33Å; D84-Q119 WeakPolarHBondContact OD2-CG 3.26Å; D84-Q119 PolarHBondContact OD2-NE2 3.16Å; K114-Q119 VanDerWaalsContact CD-NE2 3.27Å; Q116-Q119 WeakPolarHBondContact O-CB 3.32Å; Q116-Q119 PolarHBondContact O-N 3.37Å; Q119-G122 CarbonylContact O-C 3.56Å; Q119-G122 WeakPolarHBondContact O-CA 3.12Å; Q119-G122 PolarHBondContact O-N 3.29Å; Q119-G122 VanDerWaalsContact O-N 3.14Å; Q119-N123 PolarHBondContact O-N 3.42Å; Q119-N123 PolarHBondContact O-ND2 3.12Å |
| 120 | D | 93.7 | Very high | 90.7 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -44.9 | -179.9 | -68.7 | -8.8 | 0 | 0 | 0 | 111 | Q116 G122 N123 Y124 V169 | Q116-D120 PolarHBondContact NE2-OD1 3.41Å; Q116-D120 VanDerWaalsContact O-CG 3.28Å; Q116-D120 PolarHBondContact O-N 3.21Å; D120-G122 VanDerWaalsContact C-N 3.3Å; D120-G122 PolarHBondContact O-N 3.13Å; D120-N123 PolarHBondContact O-N 2.69Å; D120-Y124 HydrophobicContact CB-CE2 4.41Å; D120-Y124 WeakPolarHBondContact O-CD2 3.35Å; D120-Y124 PolarHBondContact O-N 3.47Å; D120-V169 HydrophobicContact CB-CG1 3.9Å; D120-V169 HydrophobicContact CB-CG2 4.11Å |
| 121 | L | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.9 | -47.8 | 172.2 | -177.8 | 152.3 | 0 | 0 | 0 | 110.7 | L47 Q117 N123 Y124 V125 A166 F170 L242 | L47-L121 HydrophobicContact CD2-CD2 3.67Å; Q117-L121 WeakPolarHBondContact O-CB 3.29Å; Q117-L121 PolarHBondContact O-N 3.19Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-N123 PolarHBondContact O-N 3.39Å; L121-Y124 PolarHBondContact O-N 2.95Å; L121-V125 HydrophobicContact CD2-CG2 4.05Å; L121-V125 WeakPolarHBondContact O-CG2 3.27Å; L121-V125 PolarHBondContact O-N 3.06Å; L121-A166 WeakPolarHBondContact CD1-O 3.1Å; L121-A166 HydrophobicContact CG-CB 4.25Å; L121-F170 HydrophobicContact CB-CD1 3.99Å; L121-F170 HydrophobicContact CB-CE1 3.68Å; L121-F170 HydrophobicContact CD1-CB 4.48Å; L121-F170 HydrophobicContact CD1-CD1 3.35Å; L121-F170 HydrophobicContact CD1-CD2 4.2Å; L121-F170 HydrophobicContact CD1-CE1 3.44Å; L121-F170 VanDerWaalsContact CD1-CE1 3.44Å; L121-F170 HydrophobicContact CD1-CE2 4.26Å; L121-F170 HydrophobicContact CD1-CG 3.76Å; L121-F170 HydrophobicContact CD1-CZ 3.9Å; L121-F170 HydrophobicContact CG-CD1 4.29Å; L121-F170 HydrophobicContact CG-CE1 4.14Å; L121-L242 HydrophobicContact CD1-CB 4.46Å |
| 122 | G | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | L47 V118 Q119 D120 Y124 V125 L126 | L47-G122 VanDerWaalsContact CD1-CA 3.48Å; V118-G122 PolarHBondContact O-N 3.19Å; V118-G122 VanDerWaalsContact O-N 3.13Å; Q119-G122 CarbonylContact O-C 3.56Å; Q119-G122 WeakPolarHBondContact O-CA 3.12Å; Q119-G122 PolarHBondContact O-N 3.29Å; Q119-G122 VanDerWaalsContact O-N 3.14Å; D120-G122 VanDerWaalsContact C-N 3.3Å; D120-G122 PolarHBondContact O-N 3.13Å; G122-Y124 PolarHBondContact O-N 3.28Å; G122-V125 PolarHBondContact O-N 2.86Å; G122-L126 WeakPolarHBondContact O-CG 3.44Å; G122-L126 PolarHBondContact O-N 3.42Å |
| 123 | N | 94.6 | Very high | 94 | Very high | 84 Ų | 84 | 42 Ų | 42 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 177.8 | -68.7 | -26 | 0 | 0 | 0 | 111.6 | Q119 D120 L121 V125 L126 L127 | Q119-N123 PolarHBondContact O-N 3.42Å; Q119-N123 PolarHBondContact O-ND2 3.12Å; D120-N123 PolarHBondContact O-N 2.69Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-N123 PolarHBondContact O-N 3.39Å; N123-V125 PolarHBondContact O-N 2.86Å; N123-L126 PolarHBondContact O-N 2.89Å; N123-L127 WeakPolarHBondContact O-CG 3.33Å; N123-L127 PolarHBondContact O-N 3.49Å |
| 124 | Y | 97.5 | Very high | 94.4 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.4 | -38 | 176.9 | -72.2 | -55.1 | 0 | 0 | 0 | 112.9 | D120 L121 G122 L127 A128 Y162 A165 V169 | D120-Y124 HydrophobicContact CB-CE2 4.41Å; D120-Y124 WeakPolarHBondContact O-CD2 3.35Å; D120-Y124 PolarHBondContact O-N 3.47Å; L121-Y124 PolarHBondContact O-N 2.95Å; G122-Y124 PolarHBondContact O-N 3.28Å; Y124-L127 HydrophobicContact CD1-CD1 4.28Å; Y124-L127 PolarHBondContact O-N 3.37Å; Y124-A128 PolarHBondContact O-N 3Å; Y124-Y162 HydrophobicContact CD1-CD1 4.07Å; Y124-A165 HydrophobicContact CD1-CB 3.67Å; Y124-A165 HydrophobicContact CD2-CB 3.93Å; Y124-A165 HydrophobicContact CE1-CB 3.65Å; Y124-A165 HydrophobicContact CE2-CB 3.93Å; Y124-A165 HydrophobicContact CG-CB 3.82Å; Y124-V169 HydrophobicContact CD2-CG2 4.02Å; Y124-V169 HydrophobicContact CE2-CG2 3.65Å |
| 125 | V | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 173.8 | 171 | 0 | 0 | 0 | 0 | 111 | L40 C43 L121 G122 N123 A128 M129 A166 V246 | L40-V125 HydrophobicContact CD2-CG1 4.4Å; C43-V125 HydrophobicContact CB-CG1 4.25Å; L121-V125 HydrophobicContact CD2-CG2 4.05Å; L121-V125 WeakPolarHBondContact O-CG2 3.27Å; L121-V125 PolarHBondContact O-N 3.06Å; G122-V125 PolarHBondContact O-N 2.86Å; N123-V125 PolarHBondContact O-N 2.86Å; V125-A128 WeakPolarHBondContact O-CB 3.47Å; V125-A128 PolarHBondContact O-N 2.98Å; V125-M129 WeakPolarHBondContact O-CG 3.43Å; V125-M129 PolarHBondContact O-N 3.16Å; V125-A166 HydrophobicContact CG2-CB 4.19Å; V125-V246 HydrophobicContact CG2-CG2 4.26Å |
| 126 | L | 95.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.5 | -67.9 | 177.5 | 0 | 0 | 0 | 112.1 | G122 N123 M129 E130 | G122-L126 WeakPolarHBondContact O-CG 3.44Å; G122-L126 PolarHBondContact O-N 3.42Å; N123-L126 PolarHBondContact O-N 2.89Å; L126-M129 HydrophobicContact CD2-CE 3.51Å; L126-M129 WeakPolarHBondContact O-CB 3.43Å; L126-M129 PolarHBondContact O-N 3.33Å; L126-E130 PolarHBondContact O-N 3.27Å |
| 127 | L | 96.9 | Very high | 95 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -41.3 | 173.8 | -70.4 | 169.4 | 0 | 0 | 0 | 112 | N123 Y124 M129 E130 M131 Y162 | N123-L127 WeakPolarHBondContact O-CG 3.33Å; N123-L127 PolarHBondContact O-N 3.49Å; Y124-L127 HydrophobicContact CD1-CD1 4.28Å; Y124-L127 PolarHBondContact O-N 3.37Å; L127-M129 VanDerWaalsContact C-N 3.32Å; L127-M129 PolarHBondContact O-N 3.34Å; L127-E130 PolarHBondContact O-N 2.95Å; L127-M131 PolarHBondContact O-N 3.47Å; L127-Y162 HydrophobicContact CB-CD1 3.93Å; L127-Y162 HydrophobicContact CB-CD2 3.94Å; L127-Y162 HydrophobicContact CB-CE1 3.95Å; L127-Y162 HydrophobicContact CB-CE2 3.95Å; L127-Y162 HydrophobicContact CB-CG 3.93Å; L127-Y162 HydrophobicContact CD1-CD1 4.06Å; L127-Y162 HydrophobicContact CD1-CE1 3.73Å; L127-Y162 HydrophobicContact CG-CE1 4.38Å |
| 128 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L40 Y124 V125 M131 L132 L163 | L40-A128 HydrophobicContact CD1-CB 4.11Å; Y124-A128 PolarHBondContact O-N 3Å; V125-A128 WeakPolarHBondContact O-CB 3.47Å; V125-A128 PolarHBondContact O-N 2.98Å; A128-M131 PolarHBondContact O-N 2.79Å; A128-L132 WeakPolarHBondContact O-CB 3.39Å; A128-L132 PolarHBondContact O-N 2.94Å; A128-L163 HydrophobicContact CB-CD2 4.02Å; A128-L163 HydrophobicContact CB-CG 4.28Å |
| 129 | M | 96.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -35.1 | 174.7 | -68.7 | -162.7 | -37.4 | 0 | 0 | 113.5 | L40 C44 F53 V125 L126 L127 M131 L132 R133 | L40-M129 HydrophobicContact CB-CG 3.84Å; L40-M129 HydrophobicContact CB-SD 4.27Å; L40-M129 HydrophobicContact CD1-CG 3.84Å; L40-M129 HydrophobicContact CG-CG 4.5Å; C44-M129 VanDerWaalsContact SG-SD 3.69Å; F53-M129 HydrophobicContact CD2-CE 4.42Å; F53-M129 HydrophobicContact CD2-SD 4.37Å; F53-M129 HydrophobicContact CE2-CE 3.68Å; F53-M129 HydrophobicContact CE2-SD 3.55Å; F53-M129 VanDerWaalsContact CE2-SD 3.55Å; F53-M129 HydrophobicContact CZ-SD 4.38Å; V125-M129 WeakPolarHBondContact O-CG 3.43Å; V125-M129 PolarHBondContact O-N 3.16Å; L126-M129 HydrophobicContact CD2-CE 3.51Å; L126-M129 WeakPolarHBondContact O-CB 3.43Å; L126-M129 PolarHBondContact O-N 3.33Å; L127-M129 VanDerWaalsContact C-N 3.32Å; L127-M129 PolarHBondContact O-N 3.34Å; M129-M131 VanDerWaalsContact C-N 3.35Å; M129-L132 WeakPolarHBondContact O-CB 3.5Å; M129-L132 PolarHBondContact O-N 2.93Å; M129-R133 PolarHBondContact O-N 3.48Å |
| 130 | E | 96.2 | Very high | 94.3 | Very high | 112 Ų | 112 | 44.8 Ų | 44.8 | 52% | 0.523 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 175.1 | -176.5 | 171.3 | -161.6 | 0 | 0 | 110.8 | L126 L127 L132 R133 F134 | L126-E130 PolarHBondContact O-N 3.27Å; L127-E130 PolarHBondContact O-N 2.95Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.99Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.31Å; E130-F134 PolarHBondContact O-N 3.47Å |
| 131 | M | 97 | Very high | 93.7 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 173.5 | -69.9 | -50.2 | -57.2 | 0 | 0 | 112.6 | L127 A128 M129 F134 G135 W154 V155 I159 Y162 | L127-M131 PolarHBondContact O-N 3.47Å; A128-M131 PolarHBondContact O-N 2.79Å; M129-M131 VanDerWaalsContact C-N 3.35Å; M131-F134 HydrophobicContact CE-CD1 4.29Å; M131-F134 PolarHBondContact O-N 3.36Å; M131-G135 PolarHBondContact O-N 3.47Å; M131-W154 HydrophobicContact CE-CE3 4.04Å; M131-W154 HydrophobicContact CE-CH2 3.56Å; M131-W154 HydrophobicContact CE-CZ2 4.45Å; M131-W154 HydrophobicContact CE-CZ3 3.32Å; M131-W154 HydrophobicContact SD-CH2 4.44Å; M131-V155 HydrophobicContact CE-CG1 4.46Å; M131-V155 HydrophobicContact CE-CG2 4.23Å; M131-V155 WeakPolarHBondContact O-CG1 3.38Å; M131-I159 HydrophobicContact CB-CD1 4.38Å; M131-I159 HydrophobicContact CB-CG1 3.57Å; M131-Y162 HydrophobicContact CG-CD2 4.02Å; M131-Y162 HydrophobicContact CG-CE2 3.63Å |
| 132 | L | 96.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -48.7 | 173.5 | -174.8 | 161.1 | 0 | 0 | 0 | 111 | L33 L36 E37 L40 A128 M129 E130 F134 G135 M136 I159 | L33-L132 HydrophobicContact CD2-CG 4.07Å; L36-L132 HydrophobicContact CB-CD1 3.98Å; L36-L132 HydrophobicContact CD2-CD1 3.87Å; L36-L132 HydrophobicContact CG-CD1 3.8Å; E37-L132 HydrophobicContact CB-CD1 3.86Å; E37-L132 HydrophobicContact CB-CD2 4Å; E37-L132 HydrophobicContact CG-CD2 4.33Å; L40-L132 HydrophobicContact CD1-CD1 4.27Å; A128-L132 WeakPolarHBondContact O-CB 3.39Å; A128-L132 PolarHBondContact O-N 2.94Å; M129-L132 WeakPolarHBondContact O-CB 3.5Å; M129-L132 PolarHBondContact O-N 2.93Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.99Å; L132-F134 VanDerWaalsContact C-N 3.31Å; L132-F134 PolarHBondContact O-N 3.44Å; L132-G135 WeakPolarHBondContact O-CA 3.41Å; L132-G135 PolarHBondContact O-N 3.28Å; L132-G135 VanDerWaalsContact O-N 3.12Å; L132-M136 HydrophobicContact CD2-CG 3.9Å; L132-M136 WeakPolarHBondContact O-CG 3.36Å; L132-M136 PolarHBondContact O-N 3.31Å; L132-I159 HydrophobicContact CB-CD1 4.19Å |
| 133 | R | 95.2 | Very high | 91.8 | Very high | 142 Ų | 142 | 56.9 Ų | 56.9 | 54% | 0.536 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 177.7 | -171.8 | -176.6 | 72.2 | 106.6 | -1.6 | 111.2 | M129 E130 G135 M136 L137 | M129-R133 PolarHBondContact O-N 3.48Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.31Å; R133-G135 VanDerWaalsContact C-N 3.34Å; R133-G135 PolarHBondContact O-N 2.99Å; R133-M136 PolarHBondContact O-N 2.97Å; R133-L137 HydrophobicContact CG-CD1 4.34Å; R133-L137 WeakPolarHBondContact O-CG 3.05Å; R133-L137 PolarHBondContact O-N 3.24Å |
| 134 | F | 94.3 | Very high | 90.4 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 174.6 | 176.6 | -95.7 | 0 | 0 | 0 | 112.4 | E130 M131 L132 L137 T138 W154 V155 | E130-F134 PolarHBondContact O-N 3.47Å; M131-F134 HydrophobicContact CE-CD1 4.29Å; M131-F134 PolarHBondContact O-N 3.36Å; L132-F134 VanDerWaalsContact C-N 3.31Å; L132-F134 PolarHBondContact O-N 3.44Å; F134-L137 PolarHBondContact O-N 3.23Å; F134-T138 WeakPolarHBondContact O-CB 3.39Å; F134-T138 PolarHBondContact O-N 2.83Å; F134-T138 PolarHBondContact O-OG1 2.96Å; F134-W154 HydrophobicContact CD1-CZ3 4.35Å; F134-W154 HydrophobicContact CE1-CE3 4.44Å; F134-W154 AromaticContact CE1-CZ3 3.86Å; F134-W154 HydrophobicContact CE1-CZ3 3.86Å; F134-V155 HydrophobicContact CD1-CG2 3.52Å; F134-V155 HydrophobicContact CE1-CG2 3.65Å |
| 135 | G | 94 | Very high | 88.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M131 L132 R133 L137 T138 L139 | M131-G135 PolarHBondContact O-N 3.47Å; L132-G135 WeakPolarHBondContact O-CA 3.41Å; L132-G135 PolarHBondContact O-N 3.28Å; L132-G135 VanDerWaalsContact O-N 3.12Å; R133-G135 VanDerWaalsContact C-N 3.34Å; R133-G135 PolarHBondContact O-N 2.99Å; G135-L137 PolarHBondContact O-N 2.95Å; G135-T138 WeakPolarHBondContact O-CB 3.49Å; G135-T138 PolarHBondContact O-N 3.43Å; G135-L139 WeakPolarHBondContact O-CG 3.31Å; G135-L139 PolarHBondContact O-N 3.2Å |
| 136 | M | 93.3 | Very high | 87.5 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 11% | 0.108 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.8 | -73.4 | -66.6 | -73.6 | 0 | 0 | 112 | L30 L33 R34 L132 R133 L139 Q140 | L30-M136 HydrophobicContact CD2-CE 4.15Å; L30-M136 HydrophobicContact CD2-SD 3.97Å; L33-M136 HydrophobicContact CB-CG 4.05Å; L33-M136 HydrophobicContact CB-SD 3.48Å; L33-M136 WeakPolarHBondContact CB-SD 3.38Å; L33-M136 HydrophobicContact CD1-CG 4.03Å; L33-M136 HydrophobicContact CD1-SD 3.74Å; L33-M136 HydrophobicContact CG-SD 4.28Å; R34-M136 HydrophobicContact CG-CE 4.13Å; L132-M136 HydrophobicContact CD2-CG 3.9Å; L132-M136 WeakPolarHBondContact O-CG 3.36Å; L132-M136 PolarHBondContact O-N 3.31Å; R133-M136 PolarHBondContact O-N 2.97Å; M136-L139 PolarHBondContact O-N 2.91Å; M136-Q140 WeakPolarHBondContact O-CG 3.42Å; M136-Q140 PolarHBondContact O-N 2.93Å |
| 137 | L | 91.3 | Very high | 86.5 | Confident | 65 Ų | 65 | 60 Ų | 60 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 176.4 | -72.2 | 170.7 | 0 | 0 | 0 | 111.9 | R133 F134 G135 L139 Q140 N141 | R133-L137 HydrophobicContact CG-CD1 4.34Å; R133-L137 WeakPolarHBondContact O-CG 3.05Å; R133-L137 PolarHBondContact O-N 3.24Å; F134-L137 PolarHBondContact O-N 3.23Å; G135-L137 PolarHBondContact O-N 2.95Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.24Å; L137-Q140 PolarHBondContact O-N 2.87Å; L137-N141 WeakPolarHBondContact O-CB 3.3Å; L137-N141 PolarHBondContact O-N 3.1Å; L137-N141 PolarHBondContact O-ND2 2.91Å |
| 138 | T | 87.9 | Confident | 85.8 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 174.7 | -62 | 0 | 0 | 0 | 0 | 110.4 | F134 G135 Q140 N141 C142 K151 | F134-T138 WeakPolarHBondContact O-CB 3.39Å; F134-T138 PolarHBondContact O-N 2.83Å; F134-T138 PolarHBondContact O-OG1 2.96Å; G135-T138 WeakPolarHBondContact O-CB 3.49Å; G135-T138 PolarHBondContact O-N 3.43Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 3.17Å; T138-N141 PolarHBondContact O-N 3.02Å; T138-C142 WeakPolarHBondContact O-CB 3.42Å; T138-C142 PolarHBondContact O-N 2.75Å; T138-C142 VanDerWaalsContact O-N 3.13Å; T138-C142 PolarHBondContact O-SG 2.99Å; T138-K151 HydrophobicContact CG2-CD 3.8Å; T138-K151 HydrophobicContact CG2-CG 4.34Å; T138-K151 WeakPolarHBondContact OG1-CE 3.49Å |
| 139 | L | 89.1 | Confident | 85 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.6 | -26.2 | 177.1 | -68 | 171.5 | 0 | 0 | 0 | 113.5 | R26 L30 L33 G135 M136 L137 L147 | R26-L139 HydrophobicContact CG-CD2 4.26Å; R26-L139 PolarHBondContact NE-O 3.28Å; R26-L139 PolarHBondContact NH2-O 3.47Å; L30-L139 HydrophobicContact CD2-CB 3.98Å; L30-L139 HydrophobicContact CD2-CD1 3.84Å; L30-L139 HydrophobicContact CG-CD1 4.04Å; L33-L139 HydrophobicContact CD1-CD1 3.43Å; L33-L139 VanDerWaalsContact CD1-CD1 3.43Å; G135-L139 WeakPolarHBondContact O-CG 3.31Å; G135-L139 PolarHBondContact O-N 3.2Å; M136-L139 PolarHBondContact O-N 2.91Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.24Å; L139-L147 HydrophobicContact CD2-CD1 3.62Å; L139-L147 HydrophobicContact CD2-CD2 4.15Å |
| 140 | Q | 85.3 | Confident | 84.4 | Confident | 116 Ų | 116 | 63.7 Ų | 63.7 | 54% | 0.542 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -76.5 | -39.2 | 177 | -76.9 | 172.2 | -11.2 | 0 | 0 | 111.8 | R26 M136 L137 T138 | R26-Q140 PolarHBondContact NH2-O 3.22Å; M136-Q140 WeakPolarHBondContact O-CG 3.42Å; M136-Q140 PolarHBondContact O-N 2.93Å; L137-Q140 PolarHBondContact O-N 2.87Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 3.17Å |
| 141 | N | 82.5 | Confident | 84 | Confident | 132 Ų | 132 | 62 Ų | 62 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -86.8 | -19.9 | -173.7 | -66.3 | -19.1 | 0 | 0 | 0 | 114 | L137 T138 | L137-N141 WeakPolarHBondContact O-CB 3.3Å; L137-N141 PolarHBondContact O-N 3.1Å; L137-N141 PolarHBondContact O-ND2 2.91Å; T138-N141 PolarHBondContact O-N 3.02Å |
| 142 | C | 76.5 | Confident | 83.6 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -72.7 | 138.1 | 175.1 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | R26 T138 | R26-C142 VanDerWaalsContact CZ-O 3.26Å; R26-C142 PolarHBondContact NH1-O 3.32Å; R26-C142 PolarHBondContact NH2-O 3.39Å; T138-C142 WeakPolarHBondContact O-CB 3.42Å; T138-C142 PolarHBondContact O-N 2.75Å; T138-C142 VanDerWaalsContact O-N 3.13Å; T138-C142 PolarHBondContact O-SG 2.99Å |
| 143 | K | 72.1 | Confident | 83.2 | Confident | 146 Ų | 146 | 63.6 Ų | 63.6 | 64% | 0.635 | 31% | 0.309 | S | S | * | . | trans | -71.3 | 156 | 157.9 | -65.3 | 177.7 | -175.9 | 169.7 | 0 | 109 | N145 E146 | K143-N145 PolarHBondContact O-N 3.31Å; K143-N145 VanDerWaalsContact O-N 3.1Å; K143-E146 HydrophobicContact CB-CG 4.33Å; K143-E146 PolarHBondContact O-N 3.22Å | ||
| 144 | D | 65.3 | Low | 83 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -55.6 | -34.7 | -173.9 | -70.4 | -28.4 | 0 | 0 | 0 | 112.9 | C22 R26 E146 | C22-D144 WeakPolarHBondContact CB-O 3.42Å; R26-D144 WeakPolarHBondContact CD-OD1 3.42Å; R26-D144 IonicContact CZ-OD1 3.56Å; R26-D144 IonicContact NE-OD1 3.86Å; R26-D144 IonicContact NH1-OD1 2.69Å; R26-D144 PolarHBondContact NH1-OD1 3.47Å; D144-E146 VanDerWaalsContact C-N 3.31Å; D144-E146 PolarHBondContact O-N 3.1Å |
| 145 | N | 63.3 | Low | 83.1 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -83.9 | -2.2 | -178.7 | -62.4 | 4.1 | 0 | 0 | 0 | 114.3 | N19 K143 | N19-N145 VanDerWaalsContact CG-OD1 3.31Å; N19-N145 PolarHBondContact OD1-ND2 2.94Å; N19-N145 PolarHBondContact OD1-OD1 3.22Å; K143-N145 PolarHBondContact O-N 3.31Å; K143-N145 VanDerWaalsContact O-N 3.1Å |
| 146 | E | 71.1 | Confident | 83.1 | Confident | 116 Ų | 116 | 57.8 Ų | 57.8 | 54% | 0.542 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -112.6 | 6 | -174.1 | -66.5 | 173.2 | -176.2 | 0 | 0 | 112.7 | K143 D144 S148 | K143-E146 HydrophobicContact CB-CG 4.33Å; K143-E146 PolarHBondContact O-N 3.22Å; D144-E146 VanDerWaalsContact C-N 3.31Å; D144-E146 PolarHBondContact O-N 3.1Å; E146-S148 PolarHBondContact O-N 3Å |
| 147 | L | 74.6 | Confident | 83.2 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | trans | -66.1 | 103.8 | 178.5 | -179.2 | 59.5 | 0 | 0 | 0 | 110.2 | L25 R26 L139 V149 | L25-L147 HydrophobicContact CB-CD2 4.41Å; L25-L147 HydrophobicContact CD2-CD2 3.99Å; L25-L147 HydrophobicContact CG-CD2 4.04Å; R26-L147 HydrophobicContact CB-CD2 4.26Å; L139-L147 HydrophobicContact CD2-CD1 3.62Å; L139-L147 HydrophobicContact CD2-CD2 4.15Å; L147-V149 PolarHBondContact O-N 3.41Å; L147-V149 VanDerWaalsContact O-N 3.1Å | ||
| 148 | S | 80.6 | Confident | 83.5 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | trans | -69.1 | 109.6 | 168.6 | 171 | 0 | 0 | 0 | 0 | 109.5 | E146 E150 K151 L152 | E146-S148 PolarHBondContact O-N 3Å; S148-E150 PolarHBondContact O-N 2.93Å; S148-E150 PolarHBondContact OG-N 3.2Å; S148-E150 PolarHBondContact OG-OE2 3.1Å; S148-K151 PolarHBondContact O-N 2.86Å; S148-K151 PolarHBondContact OG-N 3.28Å; S148-K151 VanDerWaalsContact OG-N 3.13Å; S148-L152 PolarHBondContact O-N 3.46Å | ||
| 149 | V | 82.2 | Confident | 84 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | L25 L147 K151 L152 F153 F264 | L25-V149 HydrophobicContact CD2-CG2 3.93Å; L147-V149 PolarHBondContact O-N 3.41Å; L147-V149 VanDerWaalsContact O-N 3.1Å; V149-K151 VanDerWaalsContact C-N 3.31Å; V149-K151 PolarHBondContact O-N 3.36Å; V149-L152 PolarHBondContact O-N 2.87Å; V149-F153 VanDerWaalsContact O-CB 3.28Å; V149-F153 WeakPolarHBondContact O-CB 3.48Å; V149-F153 PolarHBondContact O-N 2.8Å; V149-F264 HydrophobicContact CB-CE1 4.03Å; V149-F264 HydrophobicContact CB-CE2 4.32Å; V149-F264 HydrophobicContact CB-CZ 3.73Å; V149-F264 HydrophobicContact CG1-CD1 4.16Å; V149-F264 HydrophobicContact CG1-CD2 3.87Å; V149-F264 HydrophobicContact CG1-CE1 3.55Å; V149-F264 HydrophobicContact CG1-CE2 3.24Å; V149-F264 HydrophobicContact CG1-CG 4.34Å; V149-F264 HydrophobicContact CG1-CZ 3.1Å; V149-F264 HydrophobicContact CG2-CE1 3.57Å; V149-F264 HydrophobicContact CG2-CE2 4.18Å; V149-F264 HydrophobicContact CG2-CZ 3.22Å |
| 150 | E | 83.7 | Confident | 84.4 | Confident | 84 Ų | 84 | 60 Ų | 60 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 179.1 | -59.7 | 72.1 | -155.5 | 0 | 0 | 110.3 | S148 F153 W154 | S148-E150 PolarHBondContact O-N 2.93Å; S148-E150 PolarHBondContact OG-N 3.2Å; S148-E150 PolarHBondContact OG-OE2 3.1Å; E150-F153 PolarHBondContact O-N 3.16Å; E150-W154 WeakPolarHBondContact O-CB 3.35Å; E150-W154 PolarHBondContact O-N 2.84Å |
| 151 | K | 87.3 | Confident | 85 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 177.1 | -172.8 | 172.6 | 179.5 | -179.4 | 0 | 111.6 | T138 S148 V149 F153 W154 V155 | T138-K151 HydrophobicContact CG2-CD 3.8Å; T138-K151 HydrophobicContact CG2-CG 4.34Å; T138-K151 WeakPolarHBondContact OG1-CE 3.49Å; S148-K151 PolarHBondContact O-N 2.86Å; S148-K151 PolarHBondContact OG-N 3.28Å; S148-K151 VanDerWaalsContact OG-N 3.13Å; V149-K151 VanDerWaalsContact C-N 3.31Å; V149-K151 PolarHBondContact O-N 3.36Å; K151-F153 VanDerWaalsContact C-N 3.32Å; K151-F153 PolarHBondContact O-N 3.4Å; K151-W154 PolarHBondContact O-N 3.31Å; K151-V155 WeakPolarHBondContact O-CG2 3.43Å; K151-V155 PolarHBondContact O-N 2.97Å |
| 152 | L | 88.6 | Confident | 85.8 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 176 | 175.4 | 64.7 | 0 | 0 | 0 | 111.1 | L25 S29 S148 V149 W154 V155 T156 F256 | L25-L152 HydrophobicContact CD1-CD2 3.98Å; L25-L152 HydrophobicContact CD2-CD2 4.07Å; L25-L152 HydrophobicContact CG-CD2 3.93Å; S29-L152 WeakPolarHBondContact OG-CD2 3.49Å; S148-L152 PolarHBondContact O-N 3.46Å; V149-L152 PolarHBondContact O-N 2.87Å; L152-W154 VanDerWaalsContact C-N 3.34Å; L152-W154 PolarHBondContact O-N 3.35Å; L152-V155 PolarHBondContact O-N 3.41Å; L152-T156 PolarHBondContact O-N 3.13Å; L152-T156 PolarHBondContact O-OG1 2.98Å; L152-F256 HydrophobicContact CD1-CE1 4.49Å; L152-F256 HydrophobicContact CD2-CZ 4.21Å |
| 153 | F | 89.3 | Confident | 86.9 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 179.6 | -163.6 | -117.7 | 0 | 0 | 0 | 112.2 | V149 E150 K151 T156 K157 I257 | V149-F153 VanDerWaalsContact O-CB 3.28Å; V149-F153 WeakPolarHBondContact O-CB 3.48Å; V149-F153 PolarHBondContact O-N 2.8Å; E150-F153 PolarHBondContact O-N 3.16Å; K151-F153 VanDerWaalsContact C-N 3.32Å; K151-F153 PolarHBondContact O-N 3.4Å; F153-T156 PolarHBondContact O-N 3.18Å; F153-K157 HydrophobicContact CD1-CD 3.89Å; F153-K157 HydrophobicContact CE1-CD 3.81Å; F153-K157 HydrophobicContact CZ-CD 4.41Å; F153-K157 WeakPolarHBondContact O-CB 3.3Å; F153-K157 WeakPolarHBondContact O-CG 3.35Å; F153-K157 PolarHBondContact O-N 2.82Å; F153-I257 HydrophobicContact CE2-CG2 3.98Å; F153-I257 HydrophobicContact CZ-CG2 4.42Å |
| 154 | W | 91.8 | Very high | 88.1 | Confident | 96 Ų | 96 | 50.1 Ų | 50.1 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 172.7 | 178.4 | 82.9 | 0 | 0 | 0 | 111.1 | M131 F134 E150 K151 L152 T156 K157 S158 | M131-W154 HydrophobicContact CE-CE3 4.04Å; M131-W154 HydrophobicContact CE-CH2 3.56Å; M131-W154 HydrophobicContact CE-CZ2 4.45Å; M131-W154 HydrophobicContact CE-CZ3 3.32Å; M131-W154 HydrophobicContact SD-CH2 4.44Å; F134-W154 HydrophobicContact CD1-CZ3 4.35Å; F134-W154 HydrophobicContact CE1-CE3 4.44Å; F134-W154 AromaticContact CE1-CZ3 3.86Å; F134-W154 HydrophobicContact CE1-CZ3 3.86Å; E150-W154 WeakPolarHBondContact O-CB 3.35Å; E150-W154 PolarHBondContact O-N 2.84Å; K151-W154 PolarHBondContact O-N 3.31Å; L152-W154 VanDerWaalsContact C-N 3.34Å; L152-W154 PolarHBondContact O-N 3.35Å; W154-T156 PolarHBondContact O-N 2.87Å; W154-K157 PolarHBondContact O-N 3.07Å; W154-S158 PolarHBondContact O-N 3.22Å; W154-S158 PolarHBondContact O-OG 3.26Å; W154-S158 VanDerWaalsContact O-OG 3.08Å |
| 155 | V | 94.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.7 | -49.6 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | M131 F134 K151 L152 K157 S158 I159 | M131-V155 HydrophobicContact CE-CG1 4.46Å; M131-V155 HydrophobicContact CE-CG2 4.23Å; M131-V155 WeakPolarHBondContact O-CG1 3.38Å; F134-V155 HydrophobicContact CD1-CG2 3.52Å; F134-V155 HydrophobicContact CE1-CG2 3.65Å; K151-V155 WeakPolarHBondContact O-CG2 3.43Å; K151-V155 PolarHBondContact O-N 2.97Å; L152-V155 PolarHBondContact O-N 3.41Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.99Å; V155-S158 PolarHBondContact O-N 3.45Å; V155-I159 HydrophobicContact CG1-CD1 3.86Å; V155-I159 HydrophobicContact CG1-CG1 4.45Å; V155-I159 VanDerWaalsContact O-CG1 3.3Å; V155-I159 WeakPolarHBondContact O-CG1 3.35Å; V155-I159 PolarHBondContact O-N 3.14Å |
| 156 | T | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | Y32 L152 F153 W154 R160 T253 F256 I257 | Y32-T156 HydrophobicContact CE1-CG2 4.28Å; L152-T156 PolarHBondContact O-N 3.13Å; L152-T156 PolarHBondContact O-OG1 2.98Å; F153-T156 PolarHBondContact O-N 3.18Å; W154-T156 PolarHBondContact O-N 2.87Å; T156-R160 WeakPolarHBondContact O-CB 3.41Å; T156-R160 PolarHBondContact O-N 2.94Å; T156-T253 HydrophobicContact CG2-CG2 3.83Å; T156-F256 HydrophobicContact CG2-CD1 3.69Å; T156-F256 HydrophobicContact CG2-CE1 4.17Å; T156-F256 WeakPolarHBondContact OG1-CE1 3.32Å; T156-I257 HydrophobicContact CG2-CD1 3.89Å; T156-I257 HydrophobicContact CG2-CG1 3.41Å; T156-I257 VanDerWaalsContact CG2-CG1 3.41Å |
| 157 | K | 95.2 | Very high | 92.5 | Very high | 79 Ų | 79 | 40.7 Ų | 40.7 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -45 | 175.3 | -80.3 | -179.8 | 163.4 | -179.1 | 0 | 111.9 | F153 W154 V155 I159 R160 D161 | F153-K157 HydrophobicContact CD1-CD 3.89Å; F153-K157 HydrophobicContact CE1-CD 3.81Å; F153-K157 HydrophobicContact CZ-CD 4.41Å; F153-K157 WeakPolarHBondContact O-CB 3.3Å; F153-K157 WeakPolarHBondContact O-CG 3.35Å; F153-K157 PolarHBondContact O-N 2.82Å; W154-K157 PolarHBondContact O-N 3.07Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.99Å; K157-I159 VanDerWaalsContact C-N 3.33Å; K157-I159 PolarHBondContact O-N 3.32Å; K157-R160 WeakPolarHBondContact O-CB 3.42Å; K157-R160 PolarHBondContact O-N 2.95Å; K157-R160 VanDerWaalsContact O-N 3.13Å; K157-D161 WeakPolarHBondContact O-CB 3.47Å; K157-D161 PolarHBondContact O-N 2.83Å |
| 158 | S | 97.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | W154 V155 R160 D161 Y162 | W154-S158 PolarHBondContact O-N 3.22Å; W154-S158 PolarHBondContact O-OG 3.26Å; W154-S158 VanDerWaalsContact O-OG 3.08Å; V155-S158 PolarHBondContact O-N 3.45Å; S158-R160 PolarHBondContact O-N 3.48Å; S158-D161 PolarHBondContact O-N 3.34Å; S158-Y162 WeakPolarHBondContact O-CD2 3.24Å; S158-Y162 PolarHBondContact O-N 2.74Å |
| 159 | I | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.4 | -52.3 | 172.8 | -71.7 | 169.5 | 0 | 0 | 0 | 110.1 | L33 L36 M131 L132 V155 K157 D161 Y162 L163 | L33-I159 HydrophobicContact CD2-CD1 4.08Å; L36-I159 HydrophobicContact CD2-CD1 4.26Å; L36-I159 HydrophobicContact CD2-CG2 3.51Å; M131-I159 HydrophobicContact CB-CD1 4.38Å; M131-I159 HydrophobicContact CB-CG1 3.57Å; L132-I159 HydrophobicContact CB-CD1 4.19Å; V155-I159 HydrophobicContact CG1-CD1 3.86Å; V155-I159 HydrophobicContact CG1-CG1 4.45Å; V155-I159 VanDerWaalsContact O-CG1 3.3Å; V155-I159 WeakPolarHBondContact O-CG1 3.35Å; V155-I159 PolarHBondContact O-N 3.14Å; K157-I159 VanDerWaalsContact C-N 3.33Å; K157-I159 PolarHBondContact O-N 3.32Å; I159-D161 VanDerWaalsContact C-N 3.31Å; I159-D161 PolarHBondContact O-N 2.96Å; I159-Y162 PolarHBondContact O-N 3.21Å; I159-L163 HydrophobicContact CG2-CD1 3.84Å; I159-L163 HydrophobicContact CG2-CG 4.35Å; I159-L163 VanDerWaalsContact O-CG 3.29Å; I159-L163 WeakPolarHBondContact O-CG 3.21Å; I159-L163 PolarHBondContact O-N 2.95Å |
| 160 | R | 97.9 | Very high | 94.8 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 19% | 0.192 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.4 | -45.1 | -179.2 | -171.3 | -166.3 | 61.9 | -172.5 | -4.6 | 112 | T156 K157 S158 Y162 L163 F164 T253 I257 | T156-R160 WeakPolarHBondContact O-CB 3.41Å; T156-R160 PolarHBondContact O-N 2.94Å; K157-R160 WeakPolarHBondContact O-CB 3.42Å; K157-R160 PolarHBondContact O-N 2.95Å; K157-R160 VanDerWaalsContact O-N 3.13Å; S158-R160 PolarHBondContact O-N 3.48Å; R160-Y162 VanDerWaalsContact C-N 3.34Å; R160-Y162 PolarHBondContact O-N 3.47Å; R160-L163 PolarHBondContact O-N 3.49Å; R160-F164 HydrophobicContact CG-CD2 3.73Å; R160-F164 HydrophobicContact CG-CE2 3.49Å; R160-F164 VanDerWaalsContact CG-CE2 3.49Å; R160-F164 VanDerWaalsContact O-CD2 3.3Å; R160-F164 WeakPolarHBondContact O-CD2 3.5Å; R160-F164 PolarHBondContact O-N 3.46Å; R160-T253 HydrophobicContact CB-CG2 3.64Å; R160-T253 HydrophobicContact CG-CG2 4.11Å; R160-I257 HydrophobicContact CB-CD1 4.49Å |
| 161 | D | 98.3 | Very high | 95.3 | Very high | 83 Ų | 83 | 38.3 Ų | 38.3 | 44% | 0.444 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.7 | -38 | -176.5 | -60.9 | -13.1 | 0 | 0 | 0 | 110.4 | K157 S158 I159 F164 A165 | K157-D161 WeakPolarHBondContact O-CB 3.47Å; K157-D161 PolarHBondContact O-N 2.83Å; S158-D161 PolarHBondContact O-N 3.34Å; I159-D161 VanDerWaalsContact C-N 3.31Å; I159-D161 PolarHBondContact O-N 2.96Å; D161-F164 PolarHBondContact O-N 3.02Å; D161-A165 WeakPolarHBondContact O-CB 3.24Å; D161-A165 PolarHBondContact O-N 2.88Å |
| 162 | Y | 98.6 | Very high | 95.4 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 29% | 0.286 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 170.2 | -69.8 | -48.7 | 0 | 0 | 0 | 113.2 | Y124 L127 M131 S158 I159 R160 A165 A166 | Y124-Y162 HydrophobicContact CD1-CD1 4.07Å; L127-Y162 HydrophobicContact CB-CD1 3.93Å; L127-Y162 HydrophobicContact CB-CD2 3.94Å; L127-Y162 HydrophobicContact CB-CE1 3.95Å; L127-Y162 HydrophobicContact CB-CE2 3.95Å; L127-Y162 HydrophobicContact CB-CG 3.93Å; L127-Y162 HydrophobicContact CD1-CD1 4.06Å; L127-Y162 HydrophobicContact CD1-CE1 3.73Å; L127-Y162 HydrophobicContact CG-CE1 4.38Å; M131-Y162 HydrophobicContact CG-CD2 4.02Å; M131-Y162 HydrophobicContact CG-CE2 3.63Å; S158-Y162 WeakPolarHBondContact O-CD2 3.24Å; S158-Y162 PolarHBondContact O-N 2.74Å; I159-Y162 PolarHBondContact O-N 3.21Å; R160-Y162 VanDerWaalsContact C-N 3.34Å; R160-Y162 PolarHBondContact O-N 3.47Å; Y162-A165 PolarHBondContact O-N 3.32Å; Y162-A166 WeakPolarHBondContact O-CB 3.35Å; Y162-A166 PolarHBondContact O-N 3.47Å |
| 163 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -38 | 176.8 | -65 | 172.1 | 0 | 0 | 0 | 112.1 | L36 L40 A128 I159 R160 A166 R167 V246 A249 I250 | L36-L163 HydrophobicContact CD1-CD1 4.32Å; L40-L163 HydrophobicContact CD2-CD2 3.63Å; A128-L163 HydrophobicContact CB-CD2 4.02Å; A128-L163 HydrophobicContact CB-CG 4.28Å; I159-L163 HydrophobicContact CG2-CD1 3.84Å; I159-L163 HydrophobicContact CG2-CG 4.35Å; I159-L163 VanDerWaalsContact O-CG 3.29Å; I159-L163 WeakPolarHBondContact O-CG 3.21Å; I159-L163 PolarHBondContact O-N 2.95Å; R160-L163 PolarHBondContact O-N 3.49Å; L163-A166 WeakPolarHBondContact O-CB 3.23Å; L163-A166 PolarHBondContact O-N 3.33Å; L163-R167 PolarHBondContact O-N 2.99Å; L163-V246 VanDerWaalsContact O-CG1 3.3Å; L163-V246 WeakPolarHBondContact O-CG1 3.14Å; L163-A249 HydrophobicContact CD1-CB 3.79Å; L163-A249 HydrophobicContact CD2-CB 4.03Å; L163-I250 HydrophobicContact CB-CD1 4.32Å; L163-I250 HydrophobicContact CB-CG1 3.57Å; L163-I250 HydrophobicContact CD1-CG1 4.47Å |
| 164 | F | 98.2 | Very high | 95 | Very high | 59 Ų | 59 | 44 Ų | 44 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 171.3 | -82.5 | -58.1 | 0 | 0 | 0 | 111.3 | R160 D161 A166 R167 D168 I250 | R160-F164 HydrophobicContact CG-CD2 3.73Å; R160-F164 HydrophobicContact CG-CE2 3.49Å; R160-F164 VanDerWaalsContact CG-CE2 3.49Å; R160-F164 VanDerWaalsContact O-CD2 3.3Å; R160-F164 WeakPolarHBondContact O-CD2 3.5Å; R160-F164 PolarHBondContact O-N 3.46Å; D161-F164 PolarHBondContact O-N 3.02Å; F164-A166 VanDerWaalsContact C-N 3.3Å; F164-A166 PolarHBondContact O-N 3.32Å; F164-R167 VanDerWaalsContact CD1-NH2 3.34Å; F164-R167 PolarHBondContact O-N 3.31Å; F164-D168 VanDerWaalsContact O-CB 3.23Å; F164-D168 WeakPolarHBondContact O-CB 3.42Å; F164-D168 PolarHBondContact O-N 3.48Å; F164-I250 HydrophobicContact CD1-CD1 3.89Å; F164-I250 HydrophobicContact CD1-CG2 4.42Å; F164-I250 HydrophobicContact CE1-CD1 4.15Å; F164-I250 HydrophobicContact CE1-CG2 3.73Å; F164-I250 HydrophobicContact CE2-CG2 4.29Å; F164-I250 HydrophobicContact CG-CD1 4.47Å; F164-I250 HydrophobicContact CZ-CG2 3.65Å |
| 165 | A | 97.8 | Very high | 94.2 | Very high | 26 Ų | 26 | 49 Ų | 49 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.3 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y124 D161 Y162 R167 D168 V169 | Y124-A165 HydrophobicContact CD1-CB 3.67Å; Y124-A165 HydrophobicContact CD2-CB 3.93Å; Y124-A165 HydrophobicContact CE1-CB 3.65Å; Y124-A165 HydrophobicContact CE2-CB 3.93Å; Y124-A165 HydrophobicContact CG-CB 3.82Å; D161-A165 WeakPolarHBondContact O-CB 3.24Å; D161-A165 PolarHBondContact O-N 2.88Å; Y162-A165 PolarHBondContact O-N 3.32Å; A165-R167 PolarHBondContact O-N 2.69Å; A165-D168 PolarHBondContact O-N 3.32Å; A165-V169 VanDerWaalsContact O-CG2 3.24Å; A165-V169 WeakPolarHBondContact O-CG2 3.36Å; A165-V169 PolarHBondContact O-N 3.15Å; A165-V169 VanDerWaalsContact O-N 3.15Å |
| 166 | A | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -48 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L121 V125 Y162 L163 F164 V246 | L121-A166 WeakPolarHBondContact CD1-O 3.1Å; L121-A166 HydrophobicContact CG-CB 4.25Å; V125-A166 HydrophobicContact CG2-CB 4.19Å; Y162-A166 WeakPolarHBondContact O-CB 3.35Å; Y162-A166 PolarHBondContact O-N 3.47Å; L163-A166 WeakPolarHBondContact O-CB 3.23Å; L163-A166 PolarHBondContact O-N 3.33Å; F164-A166 VanDerWaalsContact C-N 3.3Å; F164-A166 PolarHBondContact O-N 3.32Å; A166-V246 HydrophobicContact CB-CG1 4.09Å |
| 167 | R | 97.6 | Very high | 91.3 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 22% | 0.223 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 178.1 | -177.1 | -161 | 65.6 | -177.6 | 0.1 | 111.4 | L163 F164 A165 V169 F170 V171 V246 I250 | L163-R167 PolarHBondContact O-N 2.99Å; F164-R167 VanDerWaalsContact CD1-NH2 3.34Å; F164-R167 PolarHBondContact O-N 3.31Å; A165-R167 PolarHBondContact O-N 2.69Å; R167-V169 VanDerWaalsContact C-N 3.26Å; R167-V169 PolarHBondContact O-N 3.33Å; R167-F170 PolarHBondContact O-N 3.47Å; R167-V171 HydrophobicContact CG-CG2 3.84Å; R167-V171 WeakPolarHBondContact O-CG2 3.45Å; R167-V171 PolarHBondContact O-N 3.14Å; R167-V246 HydrophobicContact CB-CG1 3.88Å; R167-I250 HydrophobicContact CB-CD1 3.98Å; R167-I250 HydrophobicContact CG-CD1 4.45Å |
| 168 | D | 96.6 | Very high | 88.7 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -32.1 | -171.5 | -72.7 | 0.8 | 0 | 0 | 0 | 111.8 | F164 A165 F170 V171 Y172 | F164-D168 VanDerWaalsContact O-CB 3.23Å; F164-D168 WeakPolarHBondContact O-CB 3.42Å; F164-D168 PolarHBondContact O-N 3.48Å; A165-D168 PolarHBondContact O-N 3.32Å; D168-F170 PolarHBondContact O-N 3.29Å; D168-V171 PolarHBondContact O-N 3.3Å; D168-Y172 HydrophobicContact CB-CD2 3.77Å; D168-Y172 HydrophobicContact CB-CE2 3.89Å; D168-Y172 WeakPolarHBondContact O-CD2 3.28Å; D168-Y172 PolarHBondContact O-N 3.2Å |
| 169 | V | 94.6 | Very high | 86.5 | Confident | 27 Ų | 27 | 66 Ų | 66 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.6 | -34.1 | 171.6 | 168.9 | 0 | 0 | 0 | 0 | 112.6 | Q117 D120 Y124 A165 R167 | Q117-V169 VanDerWaalsContact CA-CG1 3.44Å; Q117-V169 HydrophobicContact CB-CG1 3.61Å; Q117-V169 HydrophobicContact CG-CG1 3.91Å; Q117-V169 PolarHBondContact NE2-O 3.37Å; Q117-V169 WeakPolarHBondContact O-CG1 3.44Å; D120-V169 HydrophobicContact CB-CG1 3.9Å; D120-V169 HydrophobicContact CB-CG2 4.11Å; Y124-V169 HydrophobicContact CD2-CG2 4.02Å; Y124-V169 HydrophobicContact CE2-CG2 3.65Å; A165-V169 VanDerWaalsContact O-CG2 3.24Å; A165-V169 WeakPolarHBondContact O-CG2 3.36Å; A165-V169 PolarHBondContact O-N 3.15Å; A165-V169 VanDerWaalsContact O-N 3.15Å; R167-V169 VanDerWaalsContact C-N 3.26Å; R167-V169 PolarHBondContact O-N 3.33Å |
| 170 | F | 94.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -89.2 | -37.2 | 177.5 | -93.1 | 48 | 0 | 0 | 0 | 112.4 | Q117 V118 L121 R167 D168 I205 S206 S207 F239 L242 I243 | Q117-F170 WeakPolarHBondContact O-CE1 3.26Å; V118-F170 HydrophobicContact CG2-CE1 4.37Å; V118-F170 HydrophobicContact CG2-CZ 4.03Å; L121-F170 HydrophobicContact CB-CD1 3.99Å; L121-F170 HydrophobicContact CB-CE1 3.68Å; L121-F170 HydrophobicContact CD1-CB 4.48Å; L121-F170 HydrophobicContact CD1-CD1 3.35Å; L121-F170 HydrophobicContact CD1-CD2 4.2Å; L121-F170 HydrophobicContact CD1-CE1 3.44Å; L121-F170 VanDerWaalsContact CD1-CE1 3.44Å; L121-F170 HydrophobicContact CD1-CE2 4.26Å; L121-F170 HydrophobicContact CD1-CG 3.76Å; L121-F170 HydrophobicContact CD1-CZ 3.9Å; L121-F170 HydrophobicContact CG-CD1 4.29Å; L121-F170 HydrophobicContact CG-CE1 4.14Å; R167-F170 PolarHBondContact O-N 3.47Å; D168-F170 PolarHBondContact O-N 3.29Å; F170-I205 HydrophobicContact CB-CG2 4.43Å; F170-I205 HydrophobicContact CD2-CG2 3.9Å; F170-I205 HydrophobicContact CE1-CD1 4.16Å; F170-I205 HydrophobicContact CE2-CD1 4.25Å; F170-I205 HydrophobicContact CE2-CG2 4.31Å; F170-I205 HydrophobicContact CG-CG2 4.07Å; F170-I205 HydrophobicContact CZ-CD1 3.93Å; F170-S206 CarbonylContact O-C 3.59Å; F170-S206 WeakPolarHBondContact O-CA 3.28Å; F170-S207 PolarHBondContact O-N 3.38Å; F170-F239 HydrophobicContact CD2-CB 4.16Å; F170-F239 HydrophobicContact CD2-CG 4.45Å; F170-F239 HydrophobicContact CE2-CB 3.85Å; F170-F239 AromaticContact CE2-CD1 3.65Å; F170-F239 HydrophobicContact CE2-CD1 3.65Å; F170-F239 HydrophobicContact CE2-CE1 4.4Å; F170-F239 AromaticContact CE2-CG 3.85Å; F170-F239 HydrophobicContact CE2-CG 3.85Å; F170-F239 HydrophobicContact CZ-CD1 4.17Å; F170-L242 HydrophobicContact CE2-CB 4.45Å; F170-L242 HydrophobicContact CE2-CD1 4.15Å; F170-L242 HydrophobicContact CZ-CD1 4.03Å; F170-I243 HydrophobicContact CB-CD1 4.08Å; F170-I243 HydrophobicContact CB-CG1 3.91Å; F170-I243 HydrophobicContact CD2-CD1 4.01Å; F170-I243 HydrophobicContact CD2-CG1 3.86Å; F170-I243 HydrophobicContact CG-CG1 4.29Å |
| 171 | V | 92.7 | Very high | 82.9 | Confident | 40 Ų | 40 | 72 Ų | 72 | 24% | 0.242 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.9 | -47.9 | -173.7 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | R167 D168 S206 S207 | R167-V171 HydrophobicContact CG-CG2 3.84Å; R167-V171 WeakPolarHBondContact O-CG2 3.45Å; R167-V171 PolarHBondContact O-N 3.14Å; D168-V171 PolarHBondContact O-N 3.3Å; V171-S206 PolarHBondContact O-OG 2.83Å; V171-S207 PolarHBondContact O-N 3.32Å |
| 172 | Y | 90.9 | Very high | 81 | Confident | 139 Ų | 139 | 73 Ų | 73 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -92 | 139.1 | -172.9 | -58.1 | -61.2 | 0 | 0 | 0 | 111.9 | D168 | D168-Y172 HydrophobicContact CB-CD2 3.77Å; D168-Y172 HydrophobicContact CB-CE2 3.89Å; D168-Y172 WeakPolarHBondContact O-CD2 3.28Å; D168-Y172 PolarHBondContact O-N 3.2Å |
| 173 | A | 85.7 | Confident | 79.3 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 44% | 0.438 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 140.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | K175 Y204 | A173-K175 PolarHBondContact O-N 3.25Å; A173-Y204 HydrophobicContact CB-CD2 4.13Å; A173-Y204 HydrophobicContact CB-CE2 3.78Å |
| 174 | P | 82.4 | Confident | 77.9 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 42% | 0.422 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 130.3 | -177.6 | 25 | -32.6 | 0 | 0 | 0 | 110.3 | Y204 | P174-Y204 HydrophobicContact CG-CD2 4.43Å; P174-Y204 HydrophobicContact CG-CG 4.09Å |
| 175 | K | 75.7 | Confident | 76.7 | Confident | 200 Ų | 200 | 78.8 Ų | 78.8 | 87% | 0.87 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 130.2 | 167.2 | -64.3 | -178.8 | -178.4 | 178 | 0 | 107.6 | A173 G177 | A173-K175 PolarHBondContact O-N 3.25Å; K175-G177 PolarHBondContact O-N 2.95Å |
| 176 | K | 68.9 | Low | 75.7 | Confident | 140 Ų | 140 | 84.9 Ų | 84.9 | 61% | 0.609 | 43% | 0.426 | S | S | * | . | trans | -60.8 | 104.3 | 174.6 | -70.1 | -169.3 | 176.7 | -172.5 | 0 | 109.1 | ||||
| 177 | G | 60.2 | Low | 74.8 | Confident | 34 Ų | 34 | 85.5 Ų | 85.5 | 35% | 0.351 | 43% | 0.429 | S | S | . | . | trans | -88.7 | 173.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K175 F179 S180 | K175-G177 PolarHBondContact O-N 2.95Å; G177-F179 PolarHBondContact O-N 2.75Å; G177-F179 VanDerWaalsContact O-N 3.14Å; G177-S180 VanDerWaalsContact O-CB 3.3Å; G177-S180 WeakPolarHBondContact O-CB 3.32Å; G177-S180 PolarHBondContact O-N 3.37Å; G177-S180 PolarHBondContact O-OG 3.2Å | ||
| 178 | P | 40.8 | Very low | 74 | Confident | 113 Ų | 113 | 86.3 Ų | 86.3 | 73% | 0.734 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -27.1 | -177.2 | 23.6 | -33.4 | 0 | 0 | 0 | 113.7 | S180 | P178-S180 VanDerWaalsContact C-N 3.28Å; P178-S180 PolarHBondContact O-N 3.09Å |
| 179 | F | 51.3 | Low | 73.5 | Confident | 173 Ų | 173 | 90.3 Ų | 90.3 | 76% | 0.759 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.8 | 177.8 | -58 | -71.3 | 0 | 0 | 0 | 114.1 | G177 Q181 T182 H183 | G177-F179 PolarHBondContact O-N 2.75Å; G177-F179 VanDerWaalsContact O-N 3.14Å; F179-Q181 VanDerWaalsContact C-N 3.26Å; F179-Q181 PolarHBondContact O-N 3.01Å; F179-T182 PolarHBondContact O-N 3Å; F179-H183 PolarHBondContact O-N 3.26Å |
| 180 | S | 61.4 | Low | 73.1 | Confident | 32 Ų | 32 | 89 Ų | 89 | 22% | 0.224 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.1 | -38.2 | -178 | 74.6 | 0 | 0 | 0 | 0 | 111.3 | G177 P178 T182 H183 D184 | G177-S180 VanDerWaalsContact O-CB 3.3Å; G177-S180 WeakPolarHBondContact O-CB 3.32Å; G177-S180 PolarHBondContact O-N 3.37Å; G177-S180 PolarHBondContact O-OG 3.2Å; P178-S180 VanDerWaalsContact C-N 3.28Å; P178-S180 PolarHBondContact O-N 3.09Å; S180-T182 PolarHBondContact O-N 3.02Å; S180-H183 PolarHBondContact O-N 2.71Å; S180-D184 WeakPolarHBondContact O-CB 3.47Å; S180-D184 PolarHBondContact O-N 2.86Å |
| 181 | Q | 59.7 | Low | 73 | Confident | 147 Ų | 147 | 89.2 Ų | 89.2 | 69% | 0.687 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | -177.1 | -63.9 | -177.1 | 5.6 | 0 | 0 | 112.9 | F179 H183 D184 E185 | F179-Q181 VanDerWaalsContact C-N 3.26Å; F179-Q181 PolarHBondContact O-N 3.01Å; Q181-H183 VanDerWaalsContact C-N 3.34Å; Q181-H183 PolarHBondContact O-N 3.29Å; Q181-D184 WeakPolarHBondContact O-CB 3.45Å; Q181-D184 PolarHBondContact O-N 2.77Å; Q181-E185 PolarHBondContact O-N 2.83Å; Q181-E185 VanDerWaalsContact O-N 3.07Å |
| 182 | T | 58.8 | Low | 73 | Confident | 102 Ų | 102 | 90.5 Ų | 90.5 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.4 | -38.7 | 179.1 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | F179 S180 R186 | F179-T182 PolarHBondContact O-N 3Å; S180-T182 PolarHBondContact O-N 3.02Å; T182-R186 PolarHBondContact O-N 3.37Å |
| 183 | H | 61.6 | Low | 73.1 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 40% | 0.403 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.7 | -175.6 | -100 | 0 | 0 | 0 | 110.9 | F179 S180 Q181 E185 R186 L187 | F179-H183 PolarHBondContact O-N 3.26Å; S180-H183 PolarHBondContact O-N 2.71Å; Q181-H183 VanDerWaalsContact C-N 3.34Å; Q181-H183 PolarHBondContact O-N 3.29Å; H183-E185 VanDerWaalsContact C-N 3.33Å; H183-E185 PolarHBondContact O-N 2.87Å; H183-R186 PolarHBondContact O-N 3.25Å; H183-L187 WeakPolarHBondContact CE1-CD1 3.35Å; H183-L187 WeakPolarHBondContact ND1-CD1 3.5Å; H183-L187 WeakPolarHBondContact O-CG 3.49Å; H183-L187 PolarHBondContact O-N 3.28Å |
| 184 | D | 70.1 | Confident | 73.4 | Confident | 38 Ų | 38 | 90.5 Ų | 90.5 | 20% | 0.203 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | 178.9 | -65 | -19.7 | 0 | 0 | 0 | 111.7 | S180 Q181 L187 K188 | S180-D184 WeakPolarHBondContact O-CB 3.47Å; S180-D184 PolarHBondContact O-N 2.86Å; Q181-D184 WeakPolarHBondContact O-CB 3.45Å; Q181-D184 PolarHBondContact O-N 2.77Å; D184-L187 PolarHBondContact O-N 3.42Å; D184-K188 VanDerWaalsContact O-CG 3.32Å; D184-K188 WeakPolarHBondContact O-CG 3.34Å; D184-K188 PolarHBondContact O-N 3.34Å |
| 185 | E | 72.8 | Confident | 73.9 | Confident | 130 Ų | 130 | 88.4 Ų | 88.4 | 61% | 0.607 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 177.1 | -74 | -170.8 | 171.2 | 0 | 0 | 113.3 | Q181 H183 K188 | Q181-E185 PolarHBondContact O-N 2.83Å; Q181-E185 VanDerWaalsContact O-N 3.07Å; H183-E185 VanDerWaalsContact C-N 3.33Å; H183-E185 PolarHBondContact O-N 2.87Å; E185-K188 PolarHBondContact O-N 3.33Å |
| 186 | R | 75.7 | Confident | 74.7 | Confident | 154 Ų | 154 | 80.4 Ų | 80.4 | 58% | 0.581 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.4 | -42.7 | 176.8 | -177.3 | 178 | 171.7 | 176 | -2.3 | 110.7 | T182 H183 K188 K189 | T182-R186 PolarHBondContact O-N 3.37Å; H183-R186 PolarHBondContact O-N 3.25Å; R186-K188 VanDerWaalsContact C-N 3.35Å; R186-K188 PolarHBondContact O-N 2.85Å; R186-K189 WeakPolarHBondContact O-CB 3.39Å; R186-K189 PolarHBondContact O-N 3.1Å |
| 187 | L | 78.9 | Confident | 75.7 | Confident | 12 Ų | 12 | 78.3 Ų | 78.3 | 6% | 0.063 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.6 | -71.4 | -173.5 | 0 | 0 | 0 | 112.5 | W113 H183 D184 K189 C190 F191 | W113-L187 HydrophobicContact CB-CD2 3.97Å; W113-L187 HydrophobicContact CD2-CD2 3.88Å; W113-L187 HydrophobicContact CG-CD2 3.46Å; W113-L187 VanDerWaalsContact CG-CD2 3.46Å; W113-L187 HydrophobicContact CZ2-CD1 4.09Å; H183-L187 WeakPolarHBondContact CE1-CD1 3.35Å; H183-L187 WeakPolarHBondContact ND1-CD1 3.5Å; H183-L187 WeakPolarHBondContact O-CG 3.49Å; H183-L187 PolarHBondContact O-N 3.28Å; D184-L187 PolarHBondContact O-N 3.42Å; L187-K189 PolarHBondContact O-N 3.46Å; L187-C190 WeakPolarHBondContact O-CB 3.23Å; L187-C190 PolarHBondContact O-N 2.81Å; L187-C190 PolarHBondContact O-SG 3.17Å; L187-F191 WeakPolarHBondContact O-CD2 3.4Å; L187-F191 VanDerWaalsContact O-CE2 3.29Å; L187-F191 WeakPolarHBondContact O-CE2 3.38Å |
| 188 | K | 82.2 | Confident | 77.2 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.2 | -34 | 177.1 | -76.4 | 178.3 | -178.4 | -172.1 | 0 | 112.5 | D184 E185 R186 C190 F191 L194 P195 | D184-K188 VanDerWaalsContact O-CG 3.32Å; D184-K188 WeakPolarHBondContact O-CG 3.34Å; D184-K188 PolarHBondContact O-N 3.34Å; E185-K188 PolarHBondContact O-N 3.33Å; R186-K188 VanDerWaalsContact C-N 3.35Å; R186-K188 PolarHBondContact O-N 2.85Å; K188-C190 PolarHBondContact O-N 3.12Å; K188-F191 PolarHBondContact O-N 3.32Å; K188-L194 WeakPolarHBondContact O-CD2 3.44Å; K188-P195 HydrophobicContact CB-CG 3.95Å; K188-P195 HydrophobicContact CD-CG 4.47Å; K188-P195 HydrophobicContact CG-CG 3.82Å; K188-P195 WeakPolarHBondContact O-CD 3.48Å |
| 189 | K | 84.6 | Confident | 79.6 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -17.8 | 177.9 | -63.7 | 176.6 | -177.4 | 177.4 | 0 | 113.4 | Q108 I111 R186 L187 F191 | Q108-K189 PolarHBondContact NE2-O 3.09Å; I111-K189 HydrophobicContact CD1-CB 4.42Å; R186-K189 WeakPolarHBondContact O-CB 3.39Å; R186-K189 PolarHBondContact O-N 3.1Å; L187-K189 PolarHBondContact O-N 3.46Å; K189-F191 VanDerWaalsContact C-N 3.28Å; K189-F191 PolarHBondContact O-N 3.33Å |
| 190 | C | 87.2 | Confident | 81.5 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -25.5 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | V107 Q108 I111 L187 K188 | V107-C190 CarbonylContact C-O 3.57Å; V107-C190 VanDerWaalsContact CA-O 3.3Å; V107-C190 WeakPolarHBondContact CA-O 3.5Å; V107-C190 HydrophobicContact CG1-CB 4.01Å; V107-C190 HydrophobicContact CG2-CB 4.35Å; Q108-C190 PolarHBondContact N-O 3.03Å; I111-C190 HydrophobicContact CB-CB 4.47Å; I111-C190 WeakPolarHBondContact CG2-SG 3.39Å; L187-C190 WeakPolarHBondContact O-CB 3.23Å; L187-C190 PolarHBondContact O-N 2.81Å; L187-C190 PolarHBondContact O-SG 3.17Å; K188-C190 PolarHBondContact O-N 3.12Å |
| 191 | F | 91.2 | Very high | 82.8 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 140.8 | -172.8 | -63.3 | -100.5 | 0 | 0 | 0 | 112.5 | I91 A105 V106 V107 W113 L187 K188 K189 P193 F201 | I91-F191 HydrophobicContact CD1-CD1 4.32Å; I91-F191 HydrophobicContact CD1-CE1 3.46Å; I91-F191 VanDerWaalsContact CD1-CE1 3.46Å; I91-F191 HydrophobicContact CD1-CZ 4.25Å; A105-F191 HydrophobicContact CB-CB 4.29Å; A105-F191 HydrophobicContact CB-CD1 3.98Å; V106-F191 CarbonylContact O-C 3.54Å; V106-F191 WeakPolarHBondContact O-CA 3.3Å; V107-F191 HydrophobicContact CG2-CD1 4.33Å; V107-F191 HydrophobicContact CG2-CE1 4.38Å; W113-F191 HydrophobicContact CH2-CZ 4.29Å; W113-F191 HydrophobicContact CZ3-CZ 4.16Å; L187-F191 WeakPolarHBondContact O-CD2 3.4Å; L187-F191 VanDerWaalsContact O-CE2 3.29Å; L187-F191 WeakPolarHBondContact O-CE2 3.38Å; K188-F191 PolarHBondContact O-N 3.32Å; K189-F191 VanDerWaalsContact C-N 3.28Å; K189-F191 PolarHBondContact O-N 3.33Å; F191-P193 CarbonylContact C-O 3.52Å; F191-P193 WeakPolarHBondContact CB-O 3.38Å; F191-P193 CarbonylContact O-C 3.51Å; F191-F201 HydrophobicContact CE1-CD1 4.23Å; F191-F201 HydrophobicContact CE1-CE1 4.4Å; F191-F201 HydrophobicContact CE1-CG 4.31Å; F191-F201 HydrophobicContact CZ-CB 4.06Å; F191-F201 HydrophobicContact CZ-CD1 4.2Å; F191-F201 HydrophobicContact CZ-CD2 4.24Å; F191-F201 AromaticContact CZ-CG 3.88Å; F191-F201 HydrophobicContact CZ-CG 3.88Å |
| 192 | V | 92.5 | Very high | 84.3 | Confident | 67 Ų | 67 | 61.2 Ų | 61.2 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 118.1 | 169.6 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | A105 V106 Q108 | A105-V192 VanDerWaalsContact CA-O 3.32Å; A105-V192 WeakPolarHBondContact CA-O 3.32Å; V106-V192 HydrophobicContact CG2-CB 4.21Å; V106-V192 PolarHBondContact N-O 2.89Å; V106-V192 PolarHBondContact O-N 2.98Å; Q108-V192 HydrophobicContact CG-CB 4.42Å; Q108-V192 HydrophobicContact CG-CG2 3.36Å |
| 193 | P | 93.9 | Very high | 85.8 | Confident | 76 Ų | 76 | 57 Ų | 57 | 49% | 0.494 | 30% | 0.297 | S | S | . | . | S | Bend | cis | -61.9 | 169.2 | -9.4 | 30.1 | -36.2 | 0 | 0 | 0 | 112.2 | Y103 R104 F191 | Y103-P193 HydrophobicContact CE2-CG 4.01Å; Y103-P193 PolarHBondContact OH-O 3.37Å; R104-P193 VanDerWaalsContact O-CD 3.29Å; R104-P193 WeakPolarHBondContact O-CD 3.36Å; F191-P193 CarbonylContact C-O 3.52Å; F191-P193 WeakPolarHBondContact CB-O 3.38Å; F191-P193 CarbonylContact O-C 3.51Å |
| 194 | L | 92.3 | Very high | 87.3 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 61% | 0.613 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 147.4 | 172.8 | -71.3 | 171.3 | 0 | 0 | 0 | 110.6 | Y103 K188 | Y103-L194 VanDerWaalsContact OH-C 3.29Å; Y103-L194 PolarHBondContact OH-O 3.43Å; K188-L194 WeakPolarHBondContact O-CD2 3.44Å |
| 195 | P | 92.3 | Very high | 88.5 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 13% | 0.13 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 141.9 | -178.5 | 27.3 | -31.4 | 0 | 0 | 0 | 112 | Y103 K188 F201 | Y103-P195 WeakPolarHBondContact OH-CA 3.48Å; Y103-P195 VanDerWaalsContact OH-N 3.17Å; K188-P195 HydrophobicContact CB-CG 3.95Å; K188-P195 HydrophobicContact CD-CG 4.47Å; K188-P195 HydrophobicContact CG-CG 3.82Å; K188-P195 WeakPolarHBondContact O-CD 3.48Å; P195-F201 HydrophobicContact CB-CD2 4.13Å; P195-F201 HydrophobicContact CB-CE2 3.37Å; P195-F201 HydrophobicContact CB-CZ 4.19Å; P195-F201 HydrophobicContact CG-CE2 4.24Å |
| 196 | P | 92.3 | Very high | 89.6 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 146.3 | 164.1 | -28.1 | 35.1 | 0 | 0 | 0 | 112 | Y103 D198 L199 | Y103-P196 HydrophobicContact CD2-CG 4.03Å; Y103-P196 VanDerWaalsContact CE2-CD 3.42Å; Y103-P196 HydrophobicContact CE2-CG 4.35Å; P196-D198 WeakPolarHBondContact CB-OD1 3.18Å; P196-D198 PolarHBondContact O-N 3.46Å; P196-L199 HydrophobicContact CB-CG 4.32Å; P196-L199 HydrophobicContact CG-CD1 4.34Å; P196-L199 PolarHBondContact O-N 3.29Å |
| 197 | A | 89.8 | Confident | 90.5 | Very high | 97 Ų | 97 | 43.3 Ų | 43.3 | 80% | 0.802 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L199 | A197-L199 VanDerWaalsContact C-N 3.3Š|
| 198 | D | 91.6 | Very high | 91.2 | Very high | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.171 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.7 | 175.1 | 51.7 | -9.1 | 0 | 0 | 0 | 113.4 | H95 P196 Y216 S217 | H95-D198 IonicContact CE1-OD2 3.49Å; H95-D198 IonicContact NE2-OD1 3.48Å; H95-D198 PolarHBondContact NE2-OD1 3.49Å; H95-D198 IonicContact NE2-OD2 3.3Å; H95-D198 PolarHBondContact NE2-OD2 3.07Å; P196-D198 WeakPolarHBondContact CB-OD1 3.18Å; P196-D198 PolarHBondContact O-N 3.46Å; D198-Y216 HydrophobicContact CB-CD2 4.34Å; D198-Y216 HydrophobicContact CB-CE2 4.31Å; D198-Y216 CarbonylContact O-C 3.48Å; D198-Y216 WeakPolarHBondContact O-CA 3.05Å; D198-Y216 VanDerWaalsContact OD2-CE2 3.29Å; D198-Y216 WeakPolarHBondContact OD2-CE2 3.17Å; D198-S217 WeakPolarHBondContact CB-O 3.38Å; D198-S217 PolarHBondContact O-N 3.45Å |
| 199 | L | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131 | 170.7 | -65.8 | -169.3 | 0 | 0 | 0 | 112.3 | V93 Y103 P196 A197 F201 V214 I215 Y216 | V93-L199 HydrophobicContact CG1-CD1 4.01Å; Y103-L199 HydrophobicContact CD1-CD1 3.84Å; Y103-L199 HydrophobicContact CG-CD1 3.94Å; P196-L199 HydrophobicContact CB-CG 4.32Å; P196-L199 HydrophobicContact CG-CD1 4.34Å; P196-L199 PolarHBondContact O-N 3.29Å; A197-L199 VanDerWaalsContact C-N 3.3Å; L199-F201 HydrophobicContact CB-CD2 4.47Å; L199-F201 HydrophobicContact CB-CE2 3.57Å; L199-F201 HydrophobicContact CB-CZ 3.9Å; L199-F201 HydrophobicContact CD1-CE2 4.17Å; L199-F201 HydrophobicContact CD1-CZ 3.66Å; L199-F201 HydrophobicContact CG-CZ 4.45Å; L199-V214 HydrophobicContact CD2-CG1 4.13Å; L199-I215 WeakPolarHBondContact CA-O 3.29Å; L199-Y216 HydrophobicContact CD2-CD2 3.98Å; L199-Y216 HydrophobicContact CD2-CG 4.44Å |
| 200 | I | 89.7 | Confident | 92.4 | Very high | 54 Ų | 54 | 38 Ų | 38 | 28% | 0.277 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.4 | 171.7 | -58.4 | 170.4 | 0 | 0 | 0 | 108.3 | V214 I215 | I200-V214 CarbonylContact O-C 3.14Å; I200-V214 VanDerWaalsContact O-CA 3.3Å; I200-V214 WeakPolarHBondContact O-CA 3.3Å; I200-I215 HydrophobicContact CB-CB 4.29Å; I200-I215 PolarHBondContact N-O 3.15Å; I200-I215 PolarHBondContact O-N 2.99Å |
| 201 | F | 90.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.9 | -178.2 | -61.3 | -90.1 | 0 | 0 | 0 | 109.4 | I91 V93 Y103 F191 P195 L199 F212 N213 V214 | I91-F201 HydrophobicContact CG2-CE1 4.27Å; V93-F201 HydrophobicContact CG1-CE1 4.5Å; Y103-F201 AromaticContact CD1-CZ 3.9Å; Y103-F201 HydrophobicContact CD1-CZ 3.9Å; Y103-F201 HydrophobicContact CE1-CE1 4.35Å; Y103-F201 HydrophobicContact CE1-CE2 4.43Å; Y103-F201 AromaticContact CE1-CZ 3.63Å; Y103-F201 HydrophobicContact CE1-CZ 3.63Å; F191-F201 HydrophobicContact CE1-CD1 4.23Å; F191-F201 HydrophobicContact CE1-CE1 4.4Å; F191-F201 HydrophobicContact CE1-CG 4.31Å; F191-F201 HydrophobicContact CZ-CB 4.06Å; F191-F201 HydrophobicContact CZ-CD1 4.2Å; F191-F201 HydrophobicContact CZ-CD2 4.24Å; F191-F201 AromaticContact CZ-CG 3.88Å; F191-F201 HydrophobicContact CZ-CG 3.88Å; P195-F201 HydrophobicContact CB-CD2 4.13Å; P195-F201 HydrophobicContact CB-CE2 3.37Å; P195-F201 HydrophobicContact CB-CZ 4.19Å; P195-F201 HydrophobicContact CG-CE2 4.24Å; L199-F201 HydrophobicContact CB-CD2 4.47Å; L199-F201 HydrophobicContact CB-CE2 3.57Å; L199-F201 HydrophobicContact CB-CZ 3.9Å; L199-F201 HydrophobicContact CD1-CE2 4.17Å; L199-F201 HydrophobicContact CD1-CZ 3.66Å; L199-F201 HydrophobicContact CG-CZ 4.45Å; F201-F212 HydrophobicContact CB-CE2 4.2Å; F201-F212 HydrophobicContact CD1-CE2 4.11Å; F201-F212 AromaticContact CD1-CZ 3.59Å; F201-F212 HydrophobicContact CD1-CZ 3.59Å; F201-F212 HydrophobicContact CE1-CZ 4.33Å; F201-N213 WeakPolarHBondContact CA-O 3.21Å; F201-V214 HydrophobicContact CD1-CB 4.37Å; F201-V214 HydrophobicContact CD1-CG1 3.96Å; F201-V214 HydrophobicContact CD1-CG2 3.67Å; F201-V214 HydrophobicContact CE1-CB 4.41Å; F201-V214 HydrophobicContact CE1-CG1 3.7Å; F201-V214 HydrophobicContact CE1-CG2 3.81Å; F201-V214 HydrophobicContact CZ-CG1 4.13Å |
| 202 | N | 89.7 | Confident | 93 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 135.3 | 172.1 | 157.8 | 70.5 | 0 | 0 | 0 | 111.5 | Y204 F212 N213 | N202-Y204 WeakPolarHBondContact ND2-CD1 3.37Å; N202-Y204 WeakPolarHBondContact ND2-CE1 3.36Å; N202-F212 WeakPolarHBondContact O-CA 3.37Å; N202-F212 WeakPolarHBondContact O-CD2 3.2Å; N202-N213 WeakPolarHBondContact CA-OD1 3.3Å; N202-N213 WeakPolarHBondContact CB-OD1 3.47Å; N202-N213 PolarHBondContact N-O 2.9Å; N202-N213 PolarHBondContact N-OD1 3.32Å; N202-N213 PolarHBondContact ND2-ND2 3.37Å; N202-N213 PolarHBondContact ND2-OD1 2.98Å; N202-N213 PolarHBondContact O-N 3.2Å; N202-N213 PolarHBondContact O-OD1 3.5Å |
| 203 | L | 91.7 | Very high | 93 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.5 | -176.5 | -176.7 | 73.9 | 0 | 0 | 0 | 107.7 | F79 V86 W113 L115 L210 N211 F212 | F79-L203 HydrophobicContact CD1-CD2 4.32Å; F79-L203 HydrophobicContact CD2-CD1 4.42Å; F79-L203 HydrophobicContact CE1-CD1 4.1Å; F79-L203 HydrophobicContact CE1-CD2 4.08Å; F79-L203 HydrophobicContact CE2-CD1 3.89Å; F79-L203 HydrophobicContact CZ-CD1 3.73Å; V86-L203 HydrophobicContact CG2-CD2 3.52Å; W113-L203 HydrophobicContact CD2-CD2 4.14Å; W113-L203 HydrophobicContact CE3-CD2 4.41Å; W113-L203 HydrophobicContact CH2-CB 3.75Å; W113-L203 HydrophobicContact CH2-CD2 3.99Å; W113-L203 HydrophobicContact CH2-CG 4.45Å; W113-L203 HydrophobicContact CZ2-CB 3.16Å; W113-L203 HydrophobicContact CZ2-CD2 3.69Å; W113-L203 HydrophobicContact CZ2-CG 4.06Å; W113-L203 HydrophobicContact CZ3-CD2 4.32Å; L115-L203 HydrophobicContact CD2-CD2 3.84Å; L115-L203 HydrophobicContact CD2-CG 4.16Å; L203-L210 HydrophobicContact CD1-CD1 3.71Å; L203-L210 HydrophobicContact CD1-CD2 4.1Å; L203-L210 HydrophobicContact CD1-CG 3.76Å; L203-L210 HydrophobicContact CD2-CD1 4.34Å; L203-L210 HydrophobicContact CG-CD1 3.89Å; L203-L210 HydrophobicContact CG-CG 4.48Å; L203-N211 WeakPolarHBondContact CA-O 3.49Å; L203-F212 HydrophobicContact CB-CD2 4.19Å; L203-F212 HydrophobicContact CD1-CB 3.86Å; L203-F212 HydrophobicContact CD1-CD2 3.99Å; L203-F212 HydrophobicContact CD1-CG 4.31Å |
| 204 | Y | 93.2 | Very high | 93 | Very high | 33 Ų | 33 | 33 Ų | 33 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 162.8 | -175.1 | 62.9 | -82.9 | 0 | 0 | 0 | 111.5 | A173 P174 N202 N211 | A173-Y204 HydrophobicContact CB-CD2 4.13Å; A173-Y204 HydrophobicContact CB-CE2 3.78Å; P174-Y204 HydrophobicContact CG-CD2 4.43Å; P174-Y204 HydrophobicContact CG-CG 4.09Å; N202-Y204 WeakPolarHBondContact ND2-CD1 3.37Å; N202-Y204 WeakPolarHBondContact ND2-CE1 3.36Å; Y204-N211 HydrophobicContact CD1-CB 4.13Å; Y204-N211 HydrophobicContact CD2-CB 3.98Å; Y204-N211 HydrophobicContact CE1-CB 3.74Å; Y204-N211 HydrophobicContact CE2-CB 3.55Å; Y204-N211 HydrophobicContact CG-CB 4.25Å; Y204-N211 VanDerWaalsContact CZ-CB 3.42Å; Y204-N211 PolarHBondContact N-O 3.39Å; Y204-N211 PolarHBondContact O-N 2.94Å |
| 205 | I | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.9 | 173.2 | -55.7 | 176.9 | 0 | 0 | 0 | 108.1 | L115 Q117 V118 F170 S207 K209 F239 | L115-I205 HydrophobicContact CD1-CD1 4.41Å; Q117-I205 HydrophobicContact CB-CD1 4.19Å; Q117-I205 PolarHBondContact NE2-O 2.85Å; V118-I205 HydrophobicContact CG2-CD1 3.53Å; F170-I205 HydrophobicContact CB-CG2 4.43Å; F170-I205 HydrophobicContact CD2-CG2 3.9Å; F170-I205 HydrophobicContact CE1-CD1 4.16Å; F170-I205 HydrophobicContact CE2-CD1 4.25Å; F170-I205 HydrophobicContact CE2-CG2 4.31Å; F170-I205 HydrophobicContact CG-CG2 4.07Å; F170-I205 HydrophobicContact CZ-CD1 3.93Å; I205-S207 WeakPolarHBondContact CG2-O 3.38Å; I205-K209 WeakPolarHBondContact CA-O 3.28Å; I205-F239 HydrophobicContact CB-CE2 4.49Å; I205-F239 HydrophobicContact CD1-CD1 4.25Å; I205-F239 HydrophobicContact CD1-CD2 4.3Å; I205-F239 HydrophobicContact CD1-CE1 3.63Å; I205-F239 HydrophobicContact CD1-CE2 3.77Å; I205-F239 HydrophobicContact CD1-CZ 3.41Å; I205-F239 VanDerWaalsContact CD1-CZ 3.41Å; I205-F239 HydrophobicContact CG1-CD2 4.33Å; I205-F239 HydrophobicContact CG1-CE1 4.46Å; I205-F239 HydrophobicContact CG1-CE2 3.7Å; I205-F239 HydrophobicContact CG1-CZ 3.79Å; I205-F239 HydrophobicContact CG2-CD2 3.89Å; I205-F239 HydrophobicContact CG2-CE2 4.12Å; I205-F239 HydrophobicContact CG2-CG 4.44Å |
| 206 | S | 94.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 28.1 Ų | 28.1 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 124.4 | 165.2 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | F170 V171 K209 N211 | F170-S206 CarbonylContact O-C 3.59Å; F170-S206 WeakPolarHBondContact O-CA 3.28Å; V171-S206 PolarHBondContact O-OG 2.83Å; S206-K209 PolarHBondContact N-O 2.96Å; S206-K209 WeakPolarHBondContact O-CB 3.32Å; S206-K209 PolarHBondContact O-N 3.23Å; S206-K209 VanDerWaalsContact O-N 3.15Å; S206-N211 WeakPolarHBondContact CB-ND2 3.43Å; S206-N211 PolarHBondContact N-ND2 3.04Å; S206-N211 VanDerWaalsContact N-ND2 3.16Å |
| 207 | S | 94.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 29.3 Ų | 29.3 | 41% | 0.406 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -136 | -163.6 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | F170 V171 I205 K209 I243 | F170-S207 PolarHBondContact O-N 3.38Å; V171-S207 PolarHBondContact O-N 3.32Å; I205-S207 WeakPolarHBondContact CG2-O 3.38Å; S207-K209 VanDerWaalsContact C-N 3.25Å; S207-K209 PolarHBondContact O-N 3.18Å; S207-I243 WeakPolarHBondContact O-CD1 3.2Å |
| 208 | S | 94.3 | Very high | 92.7 | Very high | 27 Ų | 27 | 25 Ų | 25 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 18.8 | 176.1 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | H235 V236 | S208-H235 WeakPolarHBondContact CB-NE2 3.19Å; S208-H235 PolarHBondContact OG-CD2 2.94Å; S208-H235 PolarHBondContact OG-NE2 3.16Å; S208-H235 VanDerWaalsContact OG-NE2 3.15Å; S208-V236 PolarHBondContact O-N 3.04Å |
| 209 | K | 96.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 28.3 Ų | 28.3 | 37% | 0.365 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.1 | -175.7 | -64.3 | 173 | 163.6 | -148.2 | 0 | 111.9 | I205 S206 S207 N211 D233 C234 | I205-K209 WeakPolarHBondContact CA-O 3.28Å; S206-K209 PolarHBondContact N-O 2.96Å; S206-K209 WeakPolarHBondContact O-CB 3.32Å; S206-K209 PolarHBondContact O-N 3.23Å; S206-K209 VanDerWaalsContact O-N 3.15Å; S207-K209 VanDerWaalsContact C-N 3.25Å; S207-K209 PolarHBondContact O-N 3.18Å; K209-N211 PolarHBondContact O-ND2 2.78Å; K209-N211 VanDerWaalsContact O-ND2 3.1Å; K209-D233 HydrophobicContact CB-CB 4.46Å; K209-D233 HydrophobicContact CD-CB 4.33Å; K209-D233 WeakPolarHBondContact CD-OD1 3.19Å; K209-D233 WeakPolarHBondContact CE-OD1 3.45Å; K209-D233 IonicContact NZ-OD1 3.6Å; K209-D233 PolarHBondContact NZ-OD1 3.4Å; K209-D233 IonicContact NZ-OD2 2.7Å; K209-D233 PolarHBondContact NZ-OD2 2.93Å; K209-C234 CarbonylContact C-O 3.55Å; K209-C234 WeakPolarHBondContact CA-O 3.33Å |
| 210 | L | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.9 | 157.8 | -173.2 | 66.3 | 0 | 0 | 0 | 107.2 | M67 F79 L81 L115 L203 D233 C234 V236 F239 | M67-L210 WeakPolarHBondContact CE-O 3.48Å; M67-L210 HydrophobicContact SD-CD2 4.28Å; F79-L210 HydrophobicContact CB-CD2 4.26Å; F79-L210 HydrophobicContact CD2-CD2 4.1Å; F79-L210 HydrophobicContact CG-CD2 4.27Å; L81-L210 HydrophobicContact CD1-CD2 4.4Å; L115-L210 HydrophobicContact CD1-CD1 4.26Å; L115-L210 HydrophobicContact CD2-CD1 4.23Å; L203-L210 HydrophobicContact CD1-CD1 3.71Å; L203-L210 HydrophobicContact CD1-CD2 4.1Å; L203-L210 HydrophobicContact CD1-CG 3.76Å; L203-L210 HydrophobicContact CD2-CD1 4.34Å; L203-L210 HydrophobicContact CG-CD1 3.89Å; L203-L210 HydrophobicContact CG-CG 4.48Å; L210-D233 CarbonylContact O-C 3.58Å; L210-D233 VanDerWaalsContact O-CA 3.22Å; L210-D233 WeakPolarHBondContact O-CA 3.35Å; L210-C234 PolarHBondContact N-O 3.48Å; L210-C234 PolarHBondContact O-N 3.44Å; L210-V236 HydrophobicContact CB-CG2 3.9Å; L210-F239 HydrophobicContact CB-CE2 4.19Å; L210-F239 HydrophobicContact CD1-CE2 4.48Å |
| 211 | N | 95.2 | Very high | 90.9 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.4 | -178.5 | -59.7 | -94.8 | 0 | 0 | 0 | 108.4 | L203 Y204 S206 K209 | L203-N211 WeakPolarHBondContact CA-O 3.49Å; Y204-N211 HydrophobicContact CD1-CB 4.13Å; Y204-N211 HydrophobicContact CD2-CB 3.98Å; Y204-N211 HydrophobicContact CE1-CB 3.74Å; Y204-N211 HydrophobicContact CE2-CB 3.55Å; Y204-N211 HydrophobicContact CG-CB 4.25Å; Y204-N211 VanDerWaalsContact CZ-CB 3.42Å; Y204-N211 PolarHBondContact N-O 3.39Å; Y204-N211 PolarHBondContact O-N 2.94Å; S206-N211 WeakPolarHBondContact CB-ND2 3.43Å; S206-N211 PolarHBondContact N-ND2 3.04Å; S206-N211 VanDerWaalsContact N-ND2 3.16Å; K209-N211 PolarHBondContact O-ND2 2.78Å; K209-N211 VanDerWaalsContact O-ND2 3.1Å |
| 212 | F | 94.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.4 | 176.6 | -178.9 | -121.5 | 0 | 0 | 0 | 109.8 | M67 L75 C77 F79 I91 W113 F201 N202 L203 V214 E231 C232 | M67-F212 HydrophobicContact CE-CB 4.06Å; L75-F212 HydrophobicContact CD1-CD1 4.29Å; L75-F212 HydrophobicContact CD1-CE1 4.02Å; L75-F212 HydrophobicContact CD2-CD1 4.22Å; C77-F212 HydrophobicContact CB-CD1 4.27Å; C77-F212 HydrophobicContact CB-CE1 4.29Å; F79-F212 HydrophobicContact CE2-CB 3.9Å; F79-F212 HydrophobicContact CE2-CD1 4.16Å; F79-F212 HydrophobicContact CE2-CD2 4.36Å; F79-F212 AromaticContact CE2-CG 3.9Å; F79-F212 HydrophobicContact CE2-CG 3.9Å; F79-F212 HydrophobicContact CZ-CB 4.1Å; F79-F212 AromaticContact CZ-CD1 3.96Å; F79-F212 HydrophobicContact CZ-CD1 3.96Å; F79-F212 AromaticContact CZ-CD2 3.69Å; F79-F212 HydrophobicContact CZ-CD2 3.69Å; F79-F212 HydrophobicContact CZ-CE1 4.23Å; F79-F212 AromaticContact CZ-CE2 4Å; F79-F212 HydrophobicContact CZ-CE2 4Å; F79-F212 AromaticContact CZ-CG 3.65Å; F79-F212 HydrophobicContact CZ-CG 3.65Å; F79-F212 HydrophobicContact CZ-CZ 4.22Å; I91-F212 HydrophobicContact CD1-CE1 4.08Å; I91-F212 HydrophobicContact CD1-CE2 4.33Å; I91-F212 HydrophobicContact CD1-CZ 3.56Å; I91-F212 HydrophobicContact CG1-CE1 4.01Å; I91-F212 HydrophobicContact CG1-CZ 4.02Å; I91-F212 HydrophobicContact CG2-CE1 3.98Å; I91-F212 HydrophobicContact CG2-CZ 4.2Å; W113-F212 HydrophobicContact CH2-CE2 4.05Å; F201-F212 HydrophobicContact CB-CE2 4.2Å; F201-F212 HydrophobicContact CD1-CE2 4.11Å; F201-F212 AromaticContact CD1-CZ 3.59Å; F201-F212 HydrophobicContact CD1-CZ 3.59Å; F201-F212 HydrophobicContact CE1-CZ 4.33Å; N202-F212 WeakPolarHBondContact O-CA 3.37Å; N202-F212 WeakPolarHBondContact O-CD2 3.2Å; L203-F212 HydrophobicContact CB-CD2 4.19Å; L203-F212 HydrophobicContact CD1-CB 3.86Å; L203-F212 HydrophobicContact CD1-CD2 3.99Å; L203-F212 HydrophobicContact CD1-CG 4.31Å; F212-V214 HydrophobicContact CD1-CG2 4.34Å; F212-V214 HydrophobicContact CE1-CG2 3.64Å; F212-V214 HydrophobicContact CZ-CG2 3.81Å; F212-E231 WeakPolarHBondContact O-CA 3.37Å; F212-C232 PolarHBondContact N-O 2.99Å; F212-C232 PolarHBondContact O-N 3.38Å |
| 213 | N | 93.2 | Very high | 89.2 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 10% | 0.102 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.7 | 176.5 | 64.4 | 5.3 | 0 | 0 | 0 | 112.2 | F201 N202 Y230 E231 | F201-N213 WeakPolarHBondContact CA-O 3.21Å; N202-N213 WeakPolarHBondContact CA-OD1 3.3Å; N202-N213 WeakPolarHBondContact CB-OD1 3.47Å; N202-N213 PolarHBondContact N-O 2.9Å; N202-N213 PolarHBondContact N-OD1 3.32Å; N202-N213 PolarHBondContact ND2-ND2 3.37Å; N202-N213 PolarHBondContact ND2-OD1 2.98Å; N202-N213 PolarHBondContact O-N 3.2Å; N202-N213 PolarHBondContact O-OD1 3.5Å; N213-Y230 CarbonylContact C-O 3.54Å; N213-Y230 VanDerWaalsContact CA-O 3.25Å; N213-Y230 WeakPolarHBondContact CA-O 3.44Å; N213-E231 HydrophobicContact CB-CG 4.01Å |
| 214 | V | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 119.8 | 174.5 | -169.5 | 0 | 0 | 0 | 0 | 108.3 | L75 V93 L199 I200 F201 F212 Y230 | L75-V214 HydrophobicContact CD1-CG2 3.96Å; L75-V214 HydrophobicContact CD2-CG2 4.39Å; V93-V214 HydrophobicContact CG1-CG1 4.24Å; V93-V214 HydrophobicContact CG2-CB 4.01Å; V93-V214 HydrophobicContact CG2-CG1 3.98Å; V93-V214 HydrophobicContact CG2-CG2 4.21Å; L199-V214 HydrophobicContact CD2-CG1 4.13Å; I200-V214 CarbonylContact O-C 3.14Å; I200-V214 VanDerWaalsContact O-CA 3.3Å; I200-V214 WeakPolarHBondContact O-CA 3.3Å; F201-V214 HydrophobicContact CD1-CB 4.37Å; F201-V214 HydrophobicContact CD1-CG1 3.96Å; F201-V214 HydrophobicContact CD1-CG2 3.67Å; F201-V214 HydrophobicContact CE1-CB 4.41Å; F201-V214 HydrophobicContact CE1-CG1 3.7Å; F201-V214 HydrophobicContact CE1-CG2 3.81Å; F201-V214 HydrophobicContact CZ-CG1 4.13Å; F212-V214 HydrophobicContact CD1-CG2 4.34Å; F212-V214 HydrophobicContact CE1-CG2 3.64Å; F212-V214 HydrophobicContact CZ-CG2 3.81Å; V214-Y230 HydrophobicContact CB-CD2 4.49Å; V214-Y230 PolarHBondContact N-O 3.33Å; V214-Y230 PolarHBondContact O-N 2.98Å |
| 215 | I | 92.4 | Very high | 87.2 | Confident | 34 Ų | 34 | 57 Ų | 57 | 17% | 0.174 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120 | 177 | -55.6 | 170 | 0 | 0 | 0 | 107.7 | L199 I200 L227 Q228 V229 | L199-I215 WeakPolarHBondContact CA-O 3.29Å; I200-I215 HydrophobicContact CB-CB 4.29Å; I200-I215 PolarHBondContact N-O 3.15Å; I200-I215 PolarHBondContact O-N 2.99Å; I215-L227 HydrophobicContact CG2-CD1 4.32Å; I215-L227 HydrophobicContact CG2-CG 4.28Å; I215-Q228 WeakPolarHBondContact CA-O 3.22Å; I215-V229 HydrophobicContact CG1-CG1 4.37Å; I215-V229 HydrophobicContact CG1-CG2 4.46Å |
| 216 | Y | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.4 | 166.7 | 169.8 | -105.7 | 0 | 0 | 0 | 109.2 | P96 K97 D198 L199 P218 D225 L227 Q228 | P96-Y216 HydrophobicContact CG-CD1 4.38Å; P96-Y216 HydrophobicContact CG-CE1 3.86Å; K97-Y216 VanDerWaalsContact CE-OH 3.29Å; K97-Y216 WeakPolarHBondContact CE-OH 3.49Å; D198-Y216 HydrophobicContact CB-CD2 4.34Å; D198-Y216 HydrophobicContact CB-CE2 4.31Å; D198-Y216 CarbonylContact O-C 3.48Å; D198-Y216 WeakPolarHBondContact O-CA 3.05Å; D198-Y216 VanDerWaalsContact OD2-CE2 3.29Å; D198-Y216 WeakPolarHBondContact OD2-CE2 3.17Å; L199-Y216 HydrophobicContact CD2-CD2 3.98Å; L199-Y216 HydrophobicContact CD2-CG 4.44Å; Y216-P218 HydrophobicContact CE1-CB 4.23Å; Y216-P218 HydrophobicContact CE1-CG 3.96Å; Y216-D225 PolarHBondContact OH-OD1 3.24Å; Y216-L227 WeakPolarHBondContact O-CA 3.38Å; Y216-Q228 HydrophobicContact CD1-CB 4.29Å; Y216-Q228 HydrophobicContact CD1-CG 4.35Å; Y216-Q228 PolarHBondContact N-O 2.79Å; Y216-Q228 PolarHBondContact O-N 2.96Å |
| 217 | S | 90 | Very high | 86.4 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | trans | -128.3 | 95.5 | -178.8 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | D198 | D198-S217 WeakPolarHBondContact CB-O 3.38Å; D198-S217 PolarHBondContact O-N 3.45Å | ||
| 218 | P | 86.2 | Confident | 86.2 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | trans | -69.8 | 143.3 | 179.6 | 26.2 | -30.3 | 0 | 0 | 0 | 111.2 | Y216 Q220 D225 | Y216-P218 HydrophobicContact CE1-CB 4.23Å; Y216-P218 HydrophobicContact CE1-CG 3.96Å; P218-Q220 VanDerWaalsContact C-N 3.25Å; P218-Q220 PolarHBondContact O-N 2.8Å; P218-D225 HydrophobicContact CB-CB 4.19Å; P218-D225 HydrophobicContact CG-CB 4.02Å; P218-D225 WeakPolarHBondContact CG-O 3.41Å | ||
| 219 | A | 81.7 | Confident | 86.2 | Confident | 102 Ų | 102 | 65 Ų | 65 | 84% | 0.843 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -60 | -30.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 220 | Q | 80.9 | Confident | 86.1 | Confident | 166 Ų | 166 | 61.9 Ų | 61.9 | 78% | 0.776 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -127.4 | 102.1 | 171.8 | -70.7 | -173.5 | 2.3 | 0 | 0 | 108.1 | P218 S222 | P218-Q220 VanDerWaalsContact C-N 3.25Å; P218-Q220 PolarHBondContact O-N 2.8Å; Q220-S222 PolarHBondContact O-N 3.43Å |
| 221 | P | 73.9 | Confident | 86 | Confident | 106 Ų | 106 | 67.3 Ų | 67.3 | 69% | 0.688 | 37% | 0.368 | S | S | * | . | trans | -63.5 | 131.8 | 177.4 | -18 | 30.3 | 0 | 0 | 0 | 109.9 | D225 | P221-D225 VanDerWaalsContact CA-O 3.29Å; P221-D225 WeakPolarHBondContact CA-O 3.14Å | ||
| 222 | S | 74.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | trans | -127.1 | 169.9 | 168.8 | 71.1 | 0 | 0 | 0 | 0 | 109.1 | Q220 K224 D225 S226 | Q220-S222 PolarHBondContact O-N 3.43Å; S222-K224 PolarHBondContact O-N 2.77Å; S222-K224 PolarHBondContact OG-N 3.45Å; S222-D225 PolarHBondContact N-O 2.82Å; S222-D225 CarbonylContact O-C 3.16Å; S222-D225 PolarHBondContact O-N 3.37Å; S222-D225 VanDerWaalsContact O-N 3.08Å; S222-D225 PolarHBondContact OG-N 3.24Å; S222-D225 VanDerWaalsContact OG-N 3.15Å; S222-S226 PolarHBondContact O-N 3.08Å | ||
| 223 | E | 68.4 | Low | 86.2 | Confident | 202 Ų | 202 | 69.8 Ų | 69.8 | 94% | 0.944 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -54.7 | -28 | 174.8 | -74 | -174.9 | 165.4 | 0 | 0 | 112.9 | ||
| 224 | K | 68.6 | Low | 86.3 | Confident | 191 Ų | 191 | 69.7 Ų | 69.7 | 83% | 0.83 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -91.4 | -25 | 178.1 | -67.7 | -174.3 | 179.5 | -179.8 | 0 | 114 | S222 | S222-K224 PolarHBondContact O-N 2.77Å; S222-K224 PolarHBondContact OG-N 3.45Å |
| 225 | D | 76.1 | Confident | 86.4 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 17% | 0.171 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -119.9 | 72.3 | 179.9 | -92.4 | -37.4 | 0 | 0 | 0 | 108.2 | K97 Y216 P218 P221 S222 | K97-D225 WeakPolarHBondContact CE-OD2 3.42Å; K97-D225 IonicContact NZ-OD2 2.85Å; K97-D225 PolarHBondContact NZ-OD2 2.92Å; Y216-D225 PolarHBondContact OH-OD1 3.24Å; P218-D225 HydrophobicContact CB-CB 4.19Å; P218-D225 HydrophobicContact CG-CB 4.02Å; P218-D225 WeakPolarHBondContact CG-O 3.41Å; P221-D225 VanDerWaalsContact CA-O 3.29Å; P221-D225 WeakPolarHBondContact CA-O 3.14Å; S222-D225 PolarHBondContact N-O 2.82Å; S222-D225 CarbonylContact O-C 3.16Å; S222-D225 PolarHBondContact O-N 3.37Å; S222-D225 VanDerWaalsContact O-N 3.08Å; S222-D225 PolarHBondContact OG-N 3.24Å; S222-D225 VanDerWaalsContact OG-N 3.15Å |
| 226 | S | 83 | Confident | 86.5 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | trans | -91.7 | 166.4 | 173.6 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | S222 Q228 | S222-S226 PolarHBondContact O-N 3.08Å; S226-Q228 PolarHBondContact O-N 3.49Å | ||
| 227 | L | 89 | Confident | 86.6 | Confident | 107 Ų | 107 | 76.3 Ų | 76.3 | 56% | 0.56 | 42% | 0.419 | S | S | * | . | trans | -59.7 | 127.7 | 171.7 | -179.3 | 148.3 | 0 | 0 | 0 | 109.5 | I215 Y216 V229 | I215-L227 HydrophobicContact CG2-CD1 4.32Å; I215-L227 HydrophobicContact CG2-CG 4.28Å; Y216-L227 WeakPolarHBondContact O-CA 3.38Å; L227-V229 HydrophobicContact CD2-CG2 3.6Å | ||
| 228 | Q | 90.9 | Very high | 86.7 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 23% | 0.229 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.8 | 176.8 | -66.4 | 170.2 | -14.7 | 0 | 0 | 109.2 | I215 Y216 S226 Y230 | I215-Q228 WeakPolarHBondContact CA-O 3.22Å; Y216-Q228 HydrophobicContact CD1-CB 4.29Å; Y216-Q228 HydrophobicContact CD1-CG 4.35Å; Y216-Q228 PolarHBondContact N-O 2.79Å; Y216-Q228 PolarHBondContact O-N 2.96Å; S226-Q228 PolarHBondContact O-N 3.49Å; Q228-Y230 HydrophobicContact CB-CE2 3.95Å; Q228-Y230 PolarHBondContact OE1-OH 3.45Å |
| 229 | V | 92.9 | Very high | 87.1 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 42% | 0.424 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.2 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 107.8 | I215 L227 E231 | I215-V229 HydrophobicContact CG1-CG1 4.37Å; I215-V229 HydrophobicContact CG1-CG2 4.46Å; L227-V229 HydrophobicContact CD2-CG2 3.6Å; V229-E231 HydrophobicContact CG1-CG 3.73Å |
| 230 | Y | 94.6 | Very high | 87.7 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.4 | 174.3 | -55.5 | -75.8 | 0 | 0 | 0 | 108.5 | N74 V93 R94 N213 V214 Q228 | N74-Y230 HydrophobicContact CB-CD1 3.51Å; N74-Y230 HydrophobicContact CB-CE1 3.41Å; N74-Y230 VanDerWaalsContact CB-CE1 3.41Å; V93-Y230 HydrophobicContact CG2-CD2 3.61Å; V93-Y230 HydrophobicContact CG2-CE2 4.12Å; V93-Y230 HydrophobicContact CG2-CG 3.96Å; R94-Y230 HydrophobicContact CB-CE1 4.19Å; N213-Y230 CarbonylContact C-O 3.54Å; N213-Y230 VanDerWaalsContact CA-O 3.25Å; N213-Y230 WeakPolarHBondContact CA-O 3.44Å; V214-Y230 HydrophobicContact CB-CD2 4.49Å; V214-Y230 PolarHBondContact N-O 3.33Å; V214-Y230 PolarHBondContact O-N 2.98Å; Q228-Y230 HydrophobicContact CB-CE2 3.95Å; Q228-Y230 PolarHBondContact OE1-OH 3.45Å |
| 231 | E | 95.1 | Very high | 88.3 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.8 | -175.8 | -54.1 | -170.4 | 145.4 | 0 | 0 | 110.2 | D69 F212 N213 V229 | D69-E231 WeakPolarHBondContact CA-O 3.45Å; D69-E231 WeakPolarHBondContact CB-O 3.22Å; F212-E231 WeakPolarHBondContact O-CA 3.37Å; N213-E231 HydrophobicContact CB-CG 4.01Å; V229-E231 HydrophobicContact CG1-CG 3.73Å |
| 232 | C | 96.5 | Very high | 89.4 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.7 | 168.4 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | M67 T68 L75 C77 F212 | M67-C232 HydrophobicContact CB-CB 4.04Å; M67-C232 VanDerWaalsContact CE-O 3.29Å; M67-C232 WeakPolarHBondContact CE-O 3.23Å; T68-C232 WeakPolarHBondContact O-CB 3.32Å; L75-C232 HydrophobicContact CD2-CB 4.08Å; L75-C232 VanDerWaalsContact CD2-SG 3.58Å; C77-C232 PolarHBondContact SG-SG 2.88Å; F212-C232 PolarHBondContact N-O 2.99Å; F212-C232 PolarHBondContact O-N 3.38Å |
| 233 | D | 96.2 | Very high | 90.4 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159.2 | 178.5 | 75.9 | 85.8 | 0 | 0 | 0 | 111.5 | K209 L210 | K209-D233 HydrophobicContact CB-CB 4.46Å; K209-D233 HydrophobicContact CD-CB 4.33Å; K209-D233 WeakPolarHBondContact CD-OD1 3.19Å; K209-D233 WeakPolarHBondContact CE-OD1 3.45Å; K209-D233 IonicContact NZ-OD1 3.6Å; K209-D233 PolarHBondContact NZ-OD1 3.4Å; K209-D233 IonicContact NZ-OD2 2.7Å; K209-D233 PolarHBondContact NZ-OD2 2.93Å; L210-D233 CarbonylContact O-C 3.58Å; L210-D233 VanDerWaalsContact O-CA 3.22Å; L210-D233 WeakPolarHBondContact O-CA 3.35Å |
| 234 | C | 96.4 | Very high | 91.8 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 12% | 0.122 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.7 | 166.7 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | M67 K209 L210 | M67-C234 HydrophobicContact CG-CB 3.65Å; M67-C234 WeakPolarHBondContact CG-SG 3.49Å; M67-C234 HydrophobicContact SD-CB 4.48Å; M67-C234 VanDerWaalsContact SD-SG 3.64Å; K209-C234 CarbonylContact C-O 3.55Å; K209-C234 WeakPolarHBondContact CA-O 3.33Å; L210-C234 PolarHBondContact N-O 3.48Å; L210-C234 PolarHBondContact O-N 3.44Å |
| 235 | H | 95.7 | Very high | 93.1 | Very high | 101 Ų | 101 | 50.5 Ų | 50.5 | 47% | 0.468 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 132.3 | 171.5 | -174 | -94.2 | 0 | 0 | 0 | 111.4 | S208 | S208-H235 WeakPolarHBondContact CB-NE2 3.19Å; S208-H235 PolarHBondContact OG-CD2 2.94Å; S208-H235 PolarHBondContact OG-NE2 3.16Å; S208-H235 VanDerWaalsContact OG-NE2 3.15Å |
| 236 | V | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -115.6 | 110.3 | 174.3 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | F65 S208 L210 W238 F239 A240 | F65-V236 HydrophobicContact CD1-CG2 4.03Å; F65-V236 HydrophobicContact CE1-CB 4.19Å; F65-V236 HydrophobicContact CE1-CG1 4.08Å; F65-V236 HydrophobicContact CE1-CG2 3.8Å; F65-V236 HydrophobicContact CE2-CG1 4.49Å; F65-V236 HydrophobicContact CG-CG2 4.49Å; F65-V236 HydrophobicContact CZ-CB 4.36Å; F65-V236 HydrophobicContact CZ-CG1 3.77Å; F65-V236 HydrophobicContact CZ-CG2 4.07Å; S208-V236 PolarHBondContact O-N 3.04Å; L210-V236 HydrophobicContact CB-CG2 3.9Å; V236-W238 VanDerWaalsContact C-N 3.34Å; V236-W238 VanDerWaalsContact CG1-CD1 3.49Å; V236-W238 HydrophobicContact CG1-CD2 4.2Å; V236-W238 HydrophobicContact CG1-CG 4.05Å; V236-W238 VanDerWaalsContact CG1-NE1 3.26Å; V236-W238 PolarHBondContact O-N 2.75Å; V236-F239 HydrophobicContact CB-CB 4.3Å; V236-F239 HydrophobicContact CB-CD1 4.36Å; V236-F239 HydrophobicContact CB-CD2 3.4Å; V236-F239 HydrophobicContact CB-CE2 3.64Å; V236-F239 HydrophobicContact CB-CG 3.76Å; V236-F239 HydrophobicContact CB-CZ 4.24Å; V236-F239 HydrophobicContact CG1-CD1 3.95Å; V236-F239 HydrophobicContact CG1-CD2 3.88Å; V236-F239 HydrophobicContact CG1-CE1 4.08Å; V236-F239 HydrophobicContact CG1-CE2 3.96Å; V236-F239 HydrophobicContact CG1-CG 3.83Å; V236-F239 HydrophobicContact CG1-CZ 4.05Å; V236-F239 HydrophobicContact CG2-CD2 3.85Å; V236-F239 HydrophobicContact CG2-CE2 3.59Å; V236-F239 HydrophobicContact CG2-CZ 4.25Å; V236-F239 WeakPolarHBondContact O-CB 3.07Å; V236-F239 PolarHBondContact O-N 2.78Å; V236-A240 PolarHBondContact O-N 3Å | ||
| 237 | P | 92.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 48.3 Ų | 48.3 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.9 | -42.9 | -171 | -29.4 | 36 | 0 | 0 | 0 | 114.9 | F239 A240 D241 | P237-F239 VanDerWaalsContact C-N 3.26Å; P237-F239 PolarHBondContact O-N 2.77Å; P237-A240 WeakPolarHBondContact O-CB 2.82Å; P237-A240 PolarHBondContact O-N 3.1Å; P237-A240 VanDerWaalsContact O-N 3.08Å; P237-D241 PolarHBondContact O-N 2.91Å; P237-D241 VanDerWaalsContact O-N 3.09Å |
| 238 | W | 92.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 13% | 0.125 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.7 | -20 | -178.5 | 65.9 | -99 | 0 | 0 | 0 | 113.1 | P48 G83 V118 V236 L242 | P48-W238 HydrophobicContact CG-CH2 4.09Å; P48-W238 HydrophobicContact CG-CZ3 4.26Å; G83-W238 WeakPolarHBondContact O-CZ2 3.5Å; V118-W238 HydrophobicContact CG1-CH2 4.01Å; V118-W238 HydrophobicContact CG1-CZ3 4.01Å; V118-W238 HydrophobicContact CG2-CH2 4.02Å; V118-W238 HydrophobicContact CG2-CZ3 4.41Å; V236-W238 VanDerWaalsContact C-N 3.34Å; V236-W238 VanDerWaalsContact CG1-CD1 3.49Å; V236-W238 HydrophobicContact CG1-CD2 4.2Å; V236-W238 HydrophobicContact CG1-CG 4.05Å; V236-W238 VanDerWaalsContact CG1-NE1 3.26Å; V236-W238 PolarHBondContact O-N 2.75Å; W238-L242 HydrophobicContact CE3-CD1 3.64Å; W238-L242 HydrophobicContact CE3-CG 4.45Å; W238-L242 HydrophobicContact CZ3-CD1 3.68Å; W238-L242 WeakPolarHBondContact O-CG 3.41Å; W238-L242 PolarHBondContact O-N 2.92Å; W238-L242 VanDerWaalsContact O-N 3.1Å |
| 239 | F | 94.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 167.6 | -64.5 | -15.5 | 0 | 0 | 0 | 111.1 | L81 L115 V118 F170 I205 L210 V236 P237 D241 L242 I243 | L81-F239 HydrophobicContact CD1-CZ 4.39Å; L115-F239 HydrophobicContact CD1-CZ 4.14Å; V118-F239 HydrophobicContact CG2-CE1 4.23Å; F170-F239 HydrophobicContact CD2-CB 4.16Å; F170-F239 HydrophobicContact CD2-CG 4.45Å; F170-F239 HydrophobicContact CE2-CB 3.85Å; F170-F239 AromaticContact CE2-CD1 3.65Å; F170-F239 HydrophobicContact CE2-CD1 3.65Å; F170-F239 HydrophobicContact CE2-CE1 4.4Å; F170-F239 AromaticContact CE2-CG 3.85Å; F170-F239 HydrophobicContact CE2-CG 3.85Å; F170-F239 HydrophobicContact CZ-CD1 4.17Å; I205-F239 HydrophobicContact CB-CE2 4.49Å; I205-F239 HydrophobicContact CD1-CD1 4.25Å; I205-F239 HydrophobicContact CD1-CD2 4.3Å; I205-F239 HydrophobicContact CD1-CE1 3.63Å; I205-F239 HydrophobicContact CD1-CE2 3.77Å; I205-F239 HydrophobicContact CD1-CZ 3.41Å; I205-F239 VanDerWaalsContact CD1-CZ 3.41Å; I205-F239 HydrophobicContact CG1-CD2 4.33Å; I205-F239 HydrophobicContact CG1-CE1 4.46Å; I205-F239 HydrophobicContact CG1-CE2 3.7Å; I205-F239 HydrophobicContact CG1-CZ 3.79Å; I205-F239 HydrophobicContact CG2-CD2 3.89Å; I205-F239 HydrophobicContact CG2-CE2 4.12Å; I205-F239 HydrophobicContact CG2-CG 4.44Å; L210-F239 HydrophobicContact CB-CE2 4.19Å; L210-F239 HydrophobicContact CD1-CE2 4.48Å; V236-F239 HydrophobicContact CB-CB 4.3Å; V236-F239 HydrophobicContact CB-CD1 4.36Å; V236-F239 HydrophobicContact CB-CD2 3.4Å; V236-F239 HydrophobicContact CB-CE2 3.64Å; V236-F239 HydrophobicContact CB-CG 3.76Å; V236-F239 HydrophobicContact CB-CZ 4.24Å; V236-F239 HydrophobicContact CG1-CD1 3.95Å; V236-F239 HydrophobicContact CG1-CD2 3.88Å; V236-F239 HydrophobicContact CG1-CE1 4.08Å; V236-F239 HydrophobicContact CG1-CE2 3.96Å; V236-F239 HydrophobicContact CG1-CG 3.83Å; V236-F239 HydrophobicContact CG1-CZ 4.05Å; V236-F239 HydrophobicContact CG2-CD2 3.85Å; V236-F239 HydrophobicContact CG2-CE2 3.59Å; V236-F239 HydrophobicContact CG2-CZ 4.25Å; V236-F239 WeakPolarHBondContact O-CB 3.07Å; V236-F239 PolarHBondContact O-N 2.78Å; P237-F239 VanDerWaalsContact C-N 3.26Å; P237-F239 PolarHBondContact O-N 2.77Å; F239-D241 VanDerWaalsContact C-N 3.31Å; F239-D241 PolarHBondContact O-N 3.15Å; F239-L242 PolarHBondContact O-N 2.92Å; F239-I243 WeakPolarHBondContact O-CG1 3.44Å; F239-I243 PolarHBondContact O-N 2.85Å |
| 240 | A | 94.6 | Very high | 96 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 26% | 0.256 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V236 P237 I243 Y244 | V236-A240 PolarHBondContact O-N 3Å; P237-A240 WeakPolarHBondContact O-CB 2.82Å; P237-A240 PolarHBondContact O-N 3.1Å; P237-A240 VanDerWaalsContact O-N 3.08Å; A240-I243 PolarHBondContact O-N 2.93Å; A240-Y244 WeakPolarHBondContact O-CB 3.3Å; A240-Y244 PolarHBondContact O-N 3.15Å |
| 241 | D | 94.4 | Very high | 96.1 | Very high | 68 Ų | 68 | 45 Ų | 45 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -47 | 175.8 | -77.4 | -12.5 | 0 | 0 | 0 | 112.4 | K46 P237 F239 Y244 I245 | K46-D241 HydrophobicContact CD-CB 4.05Å; K46-D241 IonicContact NZ-OD1 2.65Å; K46-D241 IonicContact NZ-OD2 2.64Å; K46-D241 PolarHBondContact NZ-OD2 3.24Å; P237-D241 PolarHBondContact O-N 2.91Å; P237-D241 VanDerWaalsContact O-N 3.09Å; F239-D241 VanDerWaalsContact C-N 3.31Å; F239-D241 PolarHBondContact O-N 3.15Å; D241-Y244 PolarHBondContact O-N 3.07Å; D241-I245 VanDerWaalsContact O-CG1 3.24Å; D241-I245 WeakPolarHBondContact O-CG1 3.33Å; D241-I245 PolarHBondContact O-N 2.77Å |
| 242 | L | 95.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 178.2 | -70.9 | 175.1 | 0 | 0 | 0 | 111.3 | K46 L47 L121 F170 W238 F239 Y244 I245 V246 | K46-L242 HydrophobicContact CB-CD2 3.91Å; L47-L242 HydrophobicContact CD2-CD1 4.33Å; L47-L242 HydrophobicContact CD2-CD2 4.2Å; L121-L242 HydrophobicContact CD1-CB 4.46Å; F170-L242 HydrophobicContact CE2-CB 4.45Å; F170-L242 HydrophobicContact CE2-CD1 4.15Å; F170-L242 HydrophobicContact CZ-CD1 4.03Å; W238-L242 HydrophobicContact CE3-CD1 3.64Å; W238-L242 HydrophobicContact CE3-CG 4.45Å; W238-L242 HydrophobicContact CZ3-CD1 3.68Å; W238-L242 WeakPolarHBondContact O-CG 3.41Å; W238-L242 PolarHBondContact O-N 2.92Å; W238-L242 VanDerWaalsContact O-N 3.1Å; F239-L242 PolarHBondContact O-N 2.92Å; L242-Y244 VanDerWaalsContact C-N 3.31Å; L242-Y244 PolarHBondContact O-N 2.69Å; L242-I245 PolarHBondContact O-N 2.87Å; L242-V246 WeakPolarHBondContact O-CG2 3.48Å; L242-V246 PolarHBondContact O-N 2.92Å |
| 243 | I | 96.3 | Very high | 96.3 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 14% | 0.138 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 176.6 | -68.5 | 163.2 | 0 | 0 | 0 | 110.8 | F170 S207 F239 A240 T247 | F170-I243 HydrophobicContact CB-CD1 4.08Å; F170-I243 HydrophobicContact CB-CG1 3.91Å; F170-I243 HydrophobicContact CD2-CD1 4.01Å; F170-I243 HydrophobicContact CD2-CG1 3.86Å; F170-I243 HydrophobicContact CG-CG1 4.29Å; S207-I243 WeakPolarHBondContact O-CD1 3.2Å; F239-I243 WeakPolarHBondContact O-CG1 3.44Å; F239-I243 PolarHBondContact O-N 2.85Å; A240-I243 PolarHBondContact O-N 2.93Å; I243-T247 VanDerWaalsContact O-CB 3.23Å; I243-T247 WeakPolarHBondContact O-CB 3.26Å; I243-T247 PolarHBondContact O-N 3.34Å; I243-T247 PolarHBondContact O-OG1 2.95Å |
| 244 | Y | 96.9 | Very high | 96.3 | Very high | 167 Ų | 167 | 40.7 Ų | 40.7 | 66% | 0.655 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.7 | -48.7 | 178.5 | 173.8 | -97.1 | 0 | 0 | 0 | 111.6 | A240 D241 L242 V246 T247 S248 | A240-Y244 WeakPolarHBondContact O-CB 3.3Å; A240-Y244 PolarHBondContact O-N 3.15Å; D241-Y244 PolarHBondContact O-N 3.07Å; L242-Y244 VanDerWaalsContact C-N 3.31Å; L242-Y244 PolarHBondContact O-N 2.69Å; Y244-V246 PolarHBondContact O-N 3.45Å; Y244-T247 PolarHBondContact O-N 2.86Å; Y244-S248 WeakPolarHBondContact O-CB 3.13Å; Y244-S248 PolarHBondContact O-N 3.41Å |
| 245 | I | 97.3 | Very high | 96.3 | Very high | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | -179.8 | -66.4 | 165.4 | 0 | 0 | 0 | 110.8 | I39 C43 K46 D241 L242 T247 S248 A249 | I39-I245 HydrophobicContact CG2-CG2 3.7Å; I39-I245 WeakPolarHBondContact O-CG2 3.47Å; C43-I245 HydrophobicContact CB-CG2 3.6Å; K46-I245 HydrophobicContact CD-CD1 3.79Å; D241-I245 VanDerWaalsContact O-CG1 3.24Å; D241-I245 WeakPolarHBondContact O-CG1 3.33Å; D241-I245 PolarHBondContact O-N 2.77Å; L242-I245 PolarHBondContact O-N 2.87Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 2.74Å; I245-S248 WeakPolarHBondContact O-CB 3.25Å; I245-S248 PolarHBondContact O-N 3.02Å; I245-A249 PolarHBondContact O-N 3.25Å |
| 246 | V | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 178.3 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | V125 L163 A166 R167 L242 Y244 S248 A249 I250 | V125-V246 HydrophobicContact CG2-CG2 4.26Å; L163-V246 VanDerWaalsContact O-CG1 3.3Å; L163-V246 WeakPolarHBondContact O-CG1 3.14Å; A166-V246 HydrophobicContact CB-CG1 4.09Å; R167-V246 HydrophobicContact CB-CG1 3.88Å; L242-V246 WeakPolarHBondContact O-CG2 3.48Å; L242-V246 PolarHBondContact O-N 2.92Å; Y244-V246 PolarHBondContact O-N 3.45Å; V246-S248 PolarHBondContact O-N 2.84Å; V246-A249 WeakPolarHBondContact O-CB 3.29Å; V246-A249 PolarHBondContact O-N 2.83Å; V246-I250 HydrophobicContact CG1-CD1 4.15Å; V246-I250 WeakPolarHBondContact O-CG1 3.17Å; V246-I250 PolarHBondContact O-N 2.86Å |
| 247 | T | 98.1 | Very high | 96.2 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 26% | 0.258 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -41 | 177.3 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | I243 Y244 I245 A249 I250 Q251 | I243-T247 VanDerWaalsContact O-CB 3.23Å; I243-T247 WeakPolarHBondContact O-CB 3.26Å; I243-T247 PolarHBondContact O-N 3.34Å; I243-T247 PolarHBondContact O-OG1 2.95Å; Y244-T247 PolarHBondContact O-N 2.86Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 2.74Å; T247-A249 VanDerWaalsContact C-N 3.33Å; T247-A249 PolarHBondContact O-N 2.7Å; T247-I250 PolarHBondContact O-N 2.95Å; T247-Q251 WeakPolarHBondContact O-CG 3.27Å; T247-Q251 PolarHBondContact O-N 2.88Å |
| 248 | S | 98.2 | Very high | 96.2 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 173.9 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | Y244 I245 V246 I250 Q251 L252 | Y244-S248 WeakPolarHBondContact O-CB 3.13Å; Y244-S248 PolarHBondContact O-N 3.41Å; I245-S248 WeakPolarHBondContact O-CB 3.25Å; I245-S248 PolarHBondContact O-N 3.02Å; V246-S248 PolarHBondContact O-N 2.84Å; S248-I250 PolarHBondContact O-N 2.79Å; S248-Q251 PolarHBondContact O-N 3.49Å; S248-L252 WeakPolarHBondContact O-CB 3.43Å; S248-L252 PolarHBondContact O-N 3.3Å |
| 249 | A | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L36 I39 L40 L163 I245 V246 T247 T253 | L36-A249 HydrophobicContact CD1-CB 3.65Å; I39-A249 HydrophobicContact CG2-CB 3.89Å; L40-A249 HydrophobicContact CD2-CB 3.98Å; L163-A249 HydrophobicContact CD1-CB 3.79Å; L163-A249 HydrophobicContact CD2-CB 4.03Å; I245-A249 PolarHBondContact O-N 3.25Å; V246-A249 WeakPolarHBondContact O-CB 3.29Å; V246-A249 PolarHBondContact O-N 2.83Å; T247-A249 VanDerWaalsContact C-N 3.33Å; T247-A249 PolarHBondContact O-N 2.7Å; A249-T253 WeakPolarHBondContact O-CB 3.1Å; A249-T253 PolarHBondContact O-N 2.82Å; A249-T253 PolarHBondContact O-OG1 2.8Å |
| 250 | I | 98.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 174.6 | -67.9 | 166.6 | 0 | 0 | 0 | 110.1 | L163 F164 R167 V246 T247 S248 L252 T253 Q254 | L163-I250 HydrophobicContact CB-CD1 4.32Å; L163-I250 HydrophobicContact CB-CG1 3.57Å; L163-I250 HydrophobicContact CD1-CG1 4.47Å; F164-I250 HydrophobicContact CD1-CD1 3.89Å; F164-I250 HydrophobicContact CD1-CG2 4.42Å; F164-I250 HydrophobicContact CE1-CD1 4.15Å; F164-I250 HydrophobicContact CE1-CG2 3.73Å; F164-I250 HydrophobicContact CE2-CG2 4.29Å; F164-I250 HydrophobicContact CG-CD1 4.47Å; F164-I250 HydrophobicContact CZ-CG2 3.65Å; R167-I250 HydrophobicContact CB-CD1 3.98Å; R167-I250 HydrophobicContact CG-CD1 4.45Å; V246-I250 HydrophobicContact CG1-CD1 4.15Å; V246-I250 WeakPolarHBondContact O-CG1 3.17Å; V246-I250 PolarHBondContact O-N 2.86Å; T247-I250 PolarHBondContact O-N 2.95Å; S248-I250 PolarHBondContact O-N 2.79Å; I250-L252 PolarHBondContact O-N 2.82Å; I250-T253 PolarHBondContact O-N 3.06Å; I250-Q254 WeakPolarHBondContact O-CB 3.29Å; I250-Q254 PolarHBondContact O-N 2.87Å |
| 251 | Q | 98.1 | Very high | 95.2 | Very high | 126 Ų | 126 | 45.3 Ų | 45.3 | 59% | 0.589 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.5 | -45.5 | 179.8 | -73 | 173 | -8.5 | 0 | 0 | 111.8 | T247 S248 T253 Q254 L255 | T247-Q251 WeakPolarHBondContact O-CG 3.27Å; T247-Q251 PolarHBondContact O-N 2.88Å; S248-Q251 PolarHBondContact O-N 3.49Å; Q251-T253 VanDerWaalsContact C-N 3.31Å; Q251-T253 PolarHBondContact O-N 2.85Å; Q251-Q254 PolarHBondContact O-N 2.72Å; Q251-L255 WeakPolarHBondContact O-CB 3.29Å; Q251-L255 PolarHBondContact O-N 3.42Å |
| 252 | L | 98.2 | Very high | 94.7 | Very high | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 175.8 | 177.7 | 63.5 | 0 | 0 | 0 | 111.7 | Y32 K35 L36 I39 S248 I250 F256 | Y32-L252 HydrophobicContact CD2-CD1 4.36Å; Y32-L252 HydrophobicContact CD2-CD2 4.3Å; Y32-L252 HydrophobicContact CD2-CG 3.9Å; Y32-L252 HydrophobicContact CE2-CD2 4.49Å; Y32-L252 HydrophobicContact CE2-CG 4.08Å; K35-L252 HydrophobicContact CB-CD2 3.76Å; L36-L252 HydrophobicContact CB-CD2 4.03Å; L36-L252 HydrophobicContact CD1-CD2 4.46Å; I39-L252 HydrophobicContact CD1-CD2 3.72Å; S248-L252 WeakPolarHBondContact O-CB 3.43Å; S248-L252 PolarHBondContact O-N 3.3Å; I250-L252 PolarHBondContact O-N 2.82Å; L252-F256 PolarHBondContact O-N 2.87Å; L252-F256 VanDerWaalsContact O-N 3.1Å |
| 253 | T | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -42.1 | 179 | -61 | 0 | 0 | 0 | 0 | 111.9 | Y32 T156 R160 A249 I250 Q251 F256 I257 | Y32-T253 VanDerWaalsContact OH-CG2 3.27Å; Y32-T253 WeakPolarHBondContact OH-CG2 3.16Å; Y32-T253 PolarHBondContact OH-OG1 2.92Å; T156-T253 HydrophobicContact CG2-CG2 3.83Å; R160-T253 HydrophobicContact CB-CG2 3.64Å; R160-T253 HydrophobicContact CG-CG2 4.11Å; A249-T253 WeakPolarHBondContact O-CB 3.1Å; A249-T253 PolarHBondContact O-N 2.82Å; A249-T253 PolarHBondContact O-OG1 2.8Å; I250-T253 PolarHBondContact O-N 3.06Å; Q251-T253 VanDerWaalsContact C-N 3.31Å; Q251-T253 PolarHBondContact O-N 2.85Å; T253-F256 PolarHBondContact O-N 2.87Å; T253-I257 HydrophobicContact CG2-CD1 4.19Å; T253-I257 WeakPolarHBondContact O-CG1 3.29Å; T253-I257 PolarHBondContact O-N 2.94Å |
| 254 | Q | 96.2 | Very high | 92.9 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.8 | -177.4 | 60 | 29.8 | 0 | 0 | 111.6 | I250 Q251 F256 I257 E258 | I250-Q254 WeakPolarHBondContact O-CB 3.29Å; I250-Q254 PolarHBondContact O-N 2.87Å; Q251-Q254 PolarHBondContact O-N 2.72Å; Q254-F256 VanDerWaalsContact C-N 3.28Å; Q254-F256 PolarHBondContact O-N 3.5Å; Q254-I257 WeakPolarHBondContact O-CB 3.38Å; Q254-I257 PolarHBondContact O-N 3.06Å; Q254-I257 VanDerWaalsContact O-N 3.16Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.4Å; Q254-E258 PolarHBondContact NE2-OE1 3.5Å; Q254-E258 WeakPolarHBondContact O-CG 2.99Å; Q254-E258 PolarHBondContact O-N 3.17Å |
| 255 | L | 95.5 | Very high | 91.6 | Very high | 110 Ų | 110 | 46.9 Ų | 46.9 | 58% | 0.576 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.6 | -41.1 | 176 | -179.5 | 65.4 | 0 | 0 | 0 | 111.8 | Q251 E258 K259 | Q251-L255 WeakPolarHBondContact O-CB 3.29Å; Q251-L255 PolarHBondContact O-N 3.42Å; L255-E258 PolarHBondContact O-N 3.23Å; L255-K259 WeakPolarHBondContact O-CB 3.42Å; L255-K259 PolarHBondContact O-N 3.33Å |
| 256 | F | 95.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.8 | 179.9 | -105.4 | 0 | 0 | 0 | 111.8 | E28 S29 Y32 L152 T156 L252 T253 Q254 E258 K259 V260 | E28-F256 HydrophobicContact CB-CE2 4.48Å; S29-F256 WeakPolarHBondContact OG-CZ 3.46Å; Y32-F256 HydrophobicContact CD1-CB 4.3Å; Y32-F256 AromaticContact CD1-CD1 3.5Å; Y32-F256 HydrophobicContact CD1-CD1 3.5Å; Y32-F256 VanDerWaalsContact CD1-CD1 3.5Å; Y32-F256 HydrophobicContact CD1-CD2 4.02Å; Y32-F256 AromaticContact CD1-CE1 3.73Å; Y32-F256 HydrophobicContact CD1-CE1 3.73Å; Y32-F256 HydrophobicContact CD1-CE2 4.22Å; Y32-F256 AromaticContact CD1-CG 3.66Å; Y32-F256 HydrophobicContact CD1-CG 3.66Å; Y32-F256 HydrophobicContact CD1-CZ 4.09Å; Y32-F256 HydrophobicContact CD2-CB 3.69Å; Y32-F256 HydrophobicContact CD2-CD1 4.4Å; Y32-F256 HydrophobicContact CD2-CD2 4.44Å; Y32-F256 AromaticContact CD2-CG 3.93Å; Y32-F256 HydrophobicContact CD2-CG 3.93Å; Y32-F256 AromaticContact CE1-CD1 3.67Å; Y32-F256 HydrophobicContact CE1-CD1 3.67Å; Y32-F256 HydrophobicContact CE1-CE1 4.04Å; Y32-F256 HydrophobicContact CE1-CG 4.15Å; Y32-F256 HydrophobicContact CE2-CB 4.03Å; Y32-F256 HydrophobicContact CE2-CG 4.41Å; Y32-F256 HydrophobicContact CG-CB 3.84Å; Y32-F256 AromaticContact CG-CD1 3.89Å; Y32-F256 HydrophobicContact CG-CD1 3.89Å; Y32-F256 AromaticContact CG-CD2 3.75Å; Y32-F256 HydrophobicContact CG-CD2 3.75Å; Y32-F256 HydrophobicContact CG-CE1 4.42Å; Y32-F256 HydrophobicContact CG-CE2 4.28Å; Y32-F256 AromaticContact CG-CG 3.53Å; Y32-F256 HydrophobicContact CG-CG 3.53Å; L152-F256 HydrophobicContact CD1-CE1 4.49Å; L152-F256 HydrophobicContact CD2-CZ 4.21Å; T156-F256 HydrophobicContact CG2-CD1 3.69Å; T156-F256 HydrophobicContact CG2-CE1 4.17Å; T156-F256 WeakPolarHBondContact OG1-CE1 3.32Å; L252-F256 PolarHBondContact O-N 2.87Å; L252-F256 VanDerWaalsContact O-N 3.1Å; T253-F256 PolarHBondContact O-N 2.87Å; Q254-F256 VanDerWaalsContact C-N 3.28Å; Q254-F256 PolarHBondContact O-N 3.5Å; F256-E258 VanDerWaalsContact C-N 3.31Å; F256-E258 PolarHBondContact O-N 2.84Å; F256-K259 PolarHBondContact O-N 3.29Å; F256-V260 HydrophobicContact CD1-CG2 4.2Å; F256-V260 HydrophobicContact CD2-CG2 4.14Å; F256-V260 HydrophobicContact CE1-CG2 3.77Å; F256-V260 HydrophobicContact CE2-CG2 3.7Å; F256-V260 HydrophobicContact CG-CG2 4.37Å; F256-V260 HydrophobicContact CZ-CG2 3.5Å; F256-V260 VanDerWaalsContact CZ-CG2 3.5Å; F256-V260 WeakPolarHBondContact O-CB 3.44Å; F256-V260 VanDerWaalsContact O-CG2 3.26Å; F256-V260 WeakPolarHBondContact O-CG2 3.23Å; F256-V260 PolarHBondContact O-N 3.31Å |
| 257 | I | 92.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.9 | -45.3 | 175.3 | -72.2 | 171.3 | 0 | 0 | 0 | 111.3 | F153 T156 R160 T253 Q254 S261 | F153-I257 HydrophobicContact CE2-CG2 3.98Å; F153-I257 HydrophobicContact CZ-CG2 4.42Å; T156-I257 HydrophobicContact CG2-CD1 3.89Å; T156-I257 HydrophobicContact CG2-CG1 3.41Å; T156-I257 VanDerWaalsContact CG2-CG1 3.41Å; R160-I257 HydrophobicContact CB-CD1 4.49Å; T253-I257 HydrophobicContact CG2-CD1 4.19Å; T253-I257 WeakPolarHBondContact O-CG1 3.29Å; T253-I257 PolarHBondContact O-N 2.94Å; Q254-I257 WeakPolarHBondContact O-CB 3.38Å; Q254-I257 PolarHBondContact O-N 3.06Å; Q254-I257 VanDerWaalsContact O-N 3.16Å; I257-S261 VanDerWaalsContact O-CB 3.26Å; I257-S261 WeakPolarHBondContact O-CB 3.29Å; I257-S261 PolarHBondContact O-N 2.61Å; I257-S261 PolarHBondContact O-OG 3.16Å |
| 258 | E | 91.9 | Very high | 86.2 | Confident | 96 Ų | 96 | 62 Ų | 62 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 179.7 | -73.4 | 169.6 | -169.9 | 0 | 0 | 112 | Q254 L255 F256 S261 T262 | Q254-E258 WeakPolarHBondContact CG-OE1 3.4Å; Q254-E258 PolarHBondContact NE2-OE1 3.5Å; Q254-E258 WeakPolarHBondContact O-CG 2.99Å; Q254-E258 PolarHBondContact O-N 3.17Å; L255-E258 PolarHBondContact O-N 3.23Å; F256-E258 VanDerWaalsContact C-N 3.31Å; F256-E258 PolarHBondContact O-N 2.84Å; E258-S261 PolarHBondContact O-N 3.32Å; E258-T262 WeakPolarHBondContact O-CB 3.28Å; E258-T262 PolarHBondContact O-N 2.84Å; E258-T262 PolarHBondContact O-OG1 3.48Å |
| 259 | K | 89.5 | Confident | 84.1 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 35% | 0.352 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 176.3 | -175.2 | 172 | -178.5 | 172.9 | 0 | 111.3 | E28 L255 F256 T262 L263 | E28-K259 IonicContact OE1-NZ 3.71Å; E28-K259 PolarHBondContact OE1-NZ 3.43Å; E28-K259 WeakPolarHBondContact OE2-CE 3.41Å; E28-K259 IonicContact OE2-NZ 2.69Å; E28-K259 PolarHBondContact OE2-NZ 3.01Å; L255-K259 WeakPolarHBondContact O-CB 3.42Å; L255-K259 PolarHBondContact O-N 3.33Å; F256-K259 PolarHBondContact O-N 3.29Å; K259-T262 PolarHBondContact O-N 3.05Å; K259-L263 WeakPolarHBondContact O-CG 3.29Å; K259-L263 PolarHBondContact O-N 2.82Å |
| 260 | V | 85.7 | Confident | 81.6 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62 | -50.4 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | L25 F256 T262 L263 F264 | L25-V260 HydrophobicContact CD1-CG1 4.27Å; L25-V260 HydrophobicContact CD1-CG2 3.75Å; F256-V260 HydrophobicContact CD1-CG2 4.2Å; F256-V260 HydrophobicContact CD2-CG2 4.14Å; F256-V260 HydrophobicContact CE1-CG2 3.77Å; F256-V260 HydrophobicContact CE2-CG2 3.7Å; F256-V260 HydrophobicContact CG-CG2 4.37Å; F256-V260 HydrophobicContact CZ-CG2 3.5Å; F256-V260 VanDerWaalsContact CZ-CG2 3.5Å; F256-V260 WeakPolarHBondContact O-CB 3.44Å; F256-V260 VanDerWaalsContact O-CG2 3.26Å; F256-V260 WeakPolarHBondContact O-CG2 3.23Å; F256-V260 PolarHBondContact O-N 3.31Å; V260-T262 VanDerWaalsContact C-N 3.27Å; V260-T262 PolarHBondContact O-N 3.15Å; V260-L263 WeakPolarHBondContact O-CB 3.38Å; V260-L263 PolarHBondContact O-N 3.11Å; V260-F264 HydrophobicContact CG1-CD2 3.77Å; V260-F264 HydrophobicContact CG1-CE2 3.6Å; V260-F264 WeakPolarHBondContact O-CD2 2.94Å; V260-F264 PolarHBondContact O-N 3.12Å |
| 261 | S | 85.8 | Confident | 78.7 | Confident | 37 Ų | 37 | 75.1 Ų | 75.1 | 26% | 0.259 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -39.3 | -179 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | I257 E258 L263 F264 L265 | I257-S261 VanDerWaalsContact O-CB 3.26Å; I257-S261 WeakPolarHBondContact O-CB 3.29Å; I257-S261 PolarHBondContact O-N 2.61Å; I257-S261 PolarHBondContact O-OG 3.16Å; E258-S261 PolarHBondContact O-N 3.32Å; S261-L263 VanDerWaalsContact C-N 3.35Å; S261-L263 PolarHBondContact O-N 3Å; S261-F264 PolarHBondContact O-N 3.22Å; S261-L265 WeakPolarHBondContact O-CB 3.43Å; S261-L265 WeakPolarHBondContact O-CG 3.38Å; S261-L265 PolarHBondContact O-N 3.23Å |
| 262 | T | 84.6 | Confident | 75.6 | Confident | 63 Ų | 63 | 73.6 Ų | 73.6 | 39% | 0.387 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | E258 K259 V260 F264 R266 | E258-T262 WeakPolarHBondContact O-CB 3.28Å; E258-T262 PolarHBondContact O-N 2.84Å; E258-T262 PolarHBondContact O-OG1 3.48Å; K259-T262 PolarHBondContact O-N 3.05Å; V260-T262 VanDerWaalsContact C-N 3.27Å; V260-T262 PolarHBondContact O-N 3.15Å; T262-F264 VanDerWaalsContact C-N 3.35Å; T262-R266 VanDerWaalsContact O-CG 3.32Å; T262-R266 WeakPolarHBondContact O-CG 3.13Å; T262-R266 PolarHBondContact O-N 2.8Å; T262-R266 VanDerWaalsContact O-N 3.12Å |
| 263 | L | 79.1 | Confident | 72.5 | Confident | 53 Ų | 53 | 78 Ų | 78 | 28% | 0.277 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 176 | -64.5 | 165.8 | 0 | 0 | 0 | 111.5 | F24 K259 V260 S261 | F24-L263 HydrophobicContact CD1-CD1 4.13Å; F24-L263 HydrophobicContact CE1-CD1 3.81Å; F24-L263 HydrophobicContact CE1-CD2 4.43Å; K259-L263 WeakPolarHBondContact O-CG 3.29Å; K259-L263 PolarHBondContact O-N 2.82Å; V260-L263 WeakPolarHBondContact O-CB 3.38Å; V260-L263 PolarHBondContact O-N 3.11Å; S261-L263 VanDerWaalsContact C-N 3.35Å; S261-L263 PolarHBondContact O-N 3Å |
| 264 | F | 75.4 | Confident | 69.5 | Low | 67 Ų | 67 | 84.2 Ų | 84.2 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.7 | -37.5 | 178.6 | -74.1 | -71.9 | 0 | 0 | 0 | 113.7 | L25 V149 V260 S261 T262 K267 K268 | L25-F264 HydrophobicContact CD2-CE2 4.13Å; L25-F264 HydrophobicContact CD2-CZ 3.91Å; V149-F264 HydrophobicContact CB-CE1 4.03Å; V149-F264 HydrophobicContact CB-CE2 4.32Å; V149-F264 HydrophobicContact CB-CZ 3.73Å; V149-F264 HydrophobicContact CG1-CD1 4.16Å; V149-F264 HydrophobicContact CG1-CD2 3.87Å; V149-F264 HydrophobicContact CG1-CE1 3.55Å; V149-F264 HydrophobicContact CG1-CE2 3.24Å; V149-F264 HydrophobicContact CG1-CG 4.34Å; V149-F264 HydrophobicContact CG1-CZ 3.1Å; V149-F264 HydrophobicContact CG2-CE1 3.57Å; V149-F264 HydrophobicContact CG2-CE2 4.18Å; V149-F264 HydrophobicContact CG2-CZ 3.22Å; V260-F264 HydrophobicContact CG1-CD2 3.77Å; V260-F264 HydrophobicContact CG1-CE2 3.6Å; V260-F264 WeakPolarHBondContact O-CD2 2.94Å; V260-F264 PolarHBondContact O-N 3.12Å; S261-F264 PolarHBondContact O-N 3.22Å; T262-F264 VanDerWaalsContact C-N 3.35Å; F264-K267 PolarHBondContact O-N 3.17Å; F264-K268 PolarHBondContact O-N 3.47Å |
| 265 | L | 69.6 | Low | 66.4 | Low | 113 Ų | 113 | 96.4 Ų | 96.4 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.5 | -42.8 | 176.7 | -76.5 | 170.2 | 0 | 0 | 0 | 111.7 | S261 K267 K268 T269 | S261-L265 WeakPolarHBondContact O-CB 3.43Å; S261-L265 WeakPolarHBondContact O-CG 3.38Å; S261-L265 PolarHBondContact O-N 3.23Å; L265-K267 PolarHBondContact O-N 3.42Å; L265-K268 PolarHBondContact O-N 3.04Å; L265-K268 VanDerWaalsContact O-N 3.1Å; L265-T269 PolarHBondContact O-N 3.06Å; L265-T269 VanDerWaalsContact O-N 3.1Å; L265-T269 PolarHBondContact O-OG1 3.08Å |
| 266 | R | 64.8 | Low | 65 | Low | 160 Ų | 160 | 95.8 Ų | 95.8 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.9 | -35.3 | 176.5 | -77.3 | 179.3 | -178.7 | -175.6 | 1.1 | 112.3 | T262 T269 L270 | T262-R266 VanDerWaalsContact O-CG 3.32Å; T262-R266 WeakPolarHBondContact O-CG 3.13Å; T262-R266 PolarHBondContact O-N 2.8Å; T262-R266 VanDerWaalsContact O-N 3.12Å; R266-T269 WeakPolarHBondContact CA-OG1 3.39Å; R266-T269 PolarHBondContact O-OG1 3.18Å; R266-L270 WeakPolarHBondContact O-CB 3.36Å; R266-L270 WeakPolarHBondContact O-CD1 3.2Å; R266-L270 VanDerWaalsContact O-CG 3.3Å; R266-L270 WeakPolarHBondContact O-CG 3.23Å; R266-L270 PolarHBondContact O-N 2.87Å; R266-L270 VanDerWaalsContact O-N 3.12Å |
| 267 | K | 59.5 | Low | 63.4 | Low | 58 Ų | 58 | 100.2 Ų | 100.2 | 25% | 0.252 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.4 | -39.5 | 177.2 | -70.7 | -173.4 | 173.3 | -166.2 | 0 | 113.5 | M16 D21 F264 L265 T269 L270 S271 | M16-K267 PolarHBondContact O-NZ 3.13Å; D21-K267 WeakPolarHBondContact OD2-CE 3.32Å; D21-K267 IonicContact OD2-NZ 2.74Å; D21-K267 PolarHBondContact OD2-NZ 3.42Å; F264-K267 PolarHBondContact O-N 3.17Å; L265-K267 PolarHBondContact O-N 3.42Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 3.41Å; K267-L270 PolarHBondContact O-N 3.43Å; K267-S271 PolarHBondContact O-N 3.15Å |
| 268 | K | 55.9 | Low | 61.7 | Low | 164 Ų | 164 | 105.1 Ų | 105.1 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -33 | 175.1 | -75.6 | -172.2 | 175.7 | -177.4 | 0 | 112.5 | F264 L265 | F264-K268 PolarHBondContact O-N 3.47Å; L265-K268 PolarHBondContact O-N 3.04Å; L265-K268 VanDerWaalsContact O-N 3.1Å |
| 269 | T | 53.7 | Low | 60 | Low | 103 Ų | 103 | 105.6 Ų | 105.6 | 63% | 0.632 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -78.9 | -20.3 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | L265 R266 K267 P272 | L265-T269 PolarHBondContact O-N 3.06Å; L265-T269 VanDerWaalsContact O-N 3.1Å; L265-T269 PolarHBondContact O-OG1 3.08Å; R266-T269 WeakPolarHBondContact CA-OG1 3.39Å; R266-T269 PolarHBondContact O-OG1 3.18Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 3.41Å; T269-P272 VanDerWaalsContact O-CD 3.23Å; T269-P272 WeakPolarHBondContact O-CD 3.23Å |
| 270 | L | 45.8 | Very low | 58.1 | Low | 147 Ų | 147 | 107.2 Ų | 107.2 | 77% | 0.77 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -90.5 | -4.3 | 174.9 | -74.1 | 161.7 | 0 | 0 | 0 | 113.1 | R266 K267 | R266-L270 WeakPolarHBondContact O-CB 3.36Å; R266-L270 WeakPolarHBondContact O-CD1 3.2Å; R266-L270 VanDerWaalsContact O-CG 3.3Å; R266-L270 WeakPolarHBondContact O-CG 3.23Å; R266-L270 PolarHBondContact O-N 2.87Å; R266-L270 VanDerWaalsContact O-N 3.12Å; K267-L270 PolarHBondContact O-N 3.43Å |
| 271 | S | 37.7 | Very low | 56.3 | Low | 75 Ų | 75 | 114.1 Ų | 114.1 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | trans | -106.6 | 42.6 | 174.8 | 83.7 | 0 | 0 | 0 | 0 | 117.1 | K267 | K267-S271 PolarHBondContact O-N 3.15Š| ||
| 272 | P | 32.2 | Very low | 54.2 | Low | 93 Ų | 93 | 119.6 Ų | 119.6 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | trans | -100.8 | 135 | 160.9 | 32.8 | -23.3 | 0 | 0 | 0 | 111 | T269 | T269-P272 VanDerWaalsContact O-CD 3.23Å; T269-P272 WeakPolarHBondContact O-CD 3.23Å | ||
| 273 | C | 33.1 | Very low | 51.8 | Low | 126 Ų | 126 | 123.9 Ų | 123.9 | 85% | 0.851 | 63% | 0.634 | S | S | * | * | trans | 86.9 | 78.3 | 176.9 | -60.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 274 | S | 34.9 | Very low | 49.5 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | trans | -128.3 | 88.9 | 140.8 | -46.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 275 | R | 32 | Very low | 47.2 | Very low | 321 Ų | 321 | 135.5 Ų | 135.5 | 100% | 1.211 | 70% | 0.697 | S | S | * | * | trans | -92.4 | 0 | 153.6 | -86 | -171 | -172.7 | -176.9 | 2.9 | 107.2 |
Retrieved 275 of 275 residues in 577.6 ms
(Link to these results)