| 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 | 40.4 | Very low | 73.2 | Confident | 227 Ų | 227 | 166.5 Ų | 166.5 | 100% | 1.118 | 83% | 0.825 | S | S | * | * | 0 | 108.3 | 0 | -64.1 | -67.4 | -178.4 | 0 | 0 | 109.2 | R3 | M1-R3 PolarHBondContact O-N 3.26Š| |||
| 2 | P | 54.3 | Low | 74.7 | Confident | 132 Ų | 132 | 168.5 Ų | 168.5 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -64.1 | 121.5 | 166.1 | -3.5 | 18.1 | 0 | 0 | 0 | 107.2 | S4 | P2-S4 PolarHBondContact O-N 3.49Š| ||
| 3 | R | 65.7 | Low | 76 | Confident | 233 Ų | 233 | 159.3 Ų | 159.3 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -59.7 | 108.9 | 171 | -75.8 | -177.3 | 174.1 | 121.6 | -2.8 | 107 | M1 R5 | M1-R3 PolarHBondContact O-N 3.26Å; R3-R5 VanDerWaalsContact C-N 3.29Å; R3-R5 PolarHBondContact O-N 2.89Å | ||
| 4 | S | 59.4 | Low | 77.2 | Confident | 122 Ų | 122 | 156.6 Ų | 156.6 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -60.2 | 97.4 | 168.8 | -176.7 | 0 | 0 | 0 | 0 | 107 | P2 G6 | P2-S4 PolarHBondContact O-N 3.49Å; S4-G6 PolarHBondContact O-N 3.28Å | ||
| 5 | R | 71.6 | Confident | 78.2 | Confident | 216 Ų | 216 | 153.5 Ų | 153.5 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | -75.8 | 113.7 | 171.8 | -82.7 | -175.6 | -79.9 | 171 | -4.2 | 105.7 | R3 | R3-R5 VanDerWaalsContact C-N 3.29Å; R3-R5 PolarHBondContact O-N 2.89Å | ||
| 6 | G | 82.3 | Confident | 79.1 | Confident | 57 Ų | 57 | 149.8 Ų | 149.8 | 59% | 0.588 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 152.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S4 L8 | S4-G6 PolarHBondContact O-N 3.28Å; G6-L8 PolarHBondContact O-N 2.8Å; G6-L8 VanDerWaalsContact O-N 3.12Å |
| 7 | K | 83.5 | Confident | 79.9 | Confident | 219 Ų | 219 | 144.9 Ų | 144.9 | 95% | 0.952 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 120 | 176.7 | -65.2 | 173.9 | -179 | 170.7 | 0 | 109.1 | ||
| 8 | L | 83.8 | Confident | 80.7 | Confident | 127 Ų | 127 | 140.3 Ų | 140.3 | 67% | 0.665 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -78 | 125.9 | 176.3 | -65.5 | 175.7 | 0 | 0 | 0 | 109 | G6 I10 | G6-L8 PolarHBondContact O-N 2.8Å; G6-L8 VanDerWaalsContact O-N 3.12Å; L8-I10 PolarHBondContact O-N 2.65Å |
| 9 | K | 87 | Confident | 81.4 | Confident | 177 Ų | 177 | 136.1 Ų | 136.1 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 120.2 | 170 | -67.9 | -178.5 | 179.9 | 179.6 | 0 | 108.8 | Q11 | K9-Q11 PolarHBondContact O-N 2.76Å; K9-Q11 VanDerWaalsContact O-N 3.17Å |
| 10 | I | 86.6 | Confident | 81.9 | Confident | 170 Ų | 170 | 132.2 Ų | 132.2 | 87% | 0.872 | 67% | 0.666 | S | S | * | * | trans | -84.7 | 87.2 | 176.6 | -55.4 | 177.9 | 0 | 0 | 0 | 107.7 | L8 | L8-I10 PolarHBondContact O-N 2.65Š| ||
| 11 | Q | 90.4 | Very high | 82.4 | Confident | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | trans | -137.8 | 161.7 | 178.4 | -69.2 | -179.5 | -22.5 | 0 | 0 | 110 | K9 I13 | K9-Q11 PolarHBondContact O-N 2.76Å; K9-Q11 VanDerWaalsContact O-N 3.17Å; Q11-I13 PolarHBondContact O-N 2.94Å | ||
| 12 | W | 91.3 | Very high | 84.9 | Confident | 191 Ų | 191 | 119 Ų | 119 | 72% | 0.723 | 61% | 0.61 | S | S | * | * | trans | -61.2 | 128.5 | 172.2 | -179.1 | -106.1 | 0 | 0 | 0 | 110.5 | V14 R19 | W12-V14 PolarHBondContact O-N 2.84Å; W12-R19 VanDerWaalsContact CZ2-CZ 3.48Å | ||
| 13 | I | 91.3 | Very high | 86.8 | Confident | 49 Ų | 49 | 115.3 Ų | 115.3 | 25% | 0.251 | 58% | 0.58 | S | S | . | * | trans | -84.3 | 109.3 | 175.3 | -58.2 | 172.5 | 0 | 0 | 0 | 107.4 | Q11 R19 T22 | Q11-I13 PolarHBondContact O-N 2.94Å; I13-R19 HydrophobicContact CB-CB 3.96Å; I13-R19 HydrophobicContact CB-CG 4.23Å; I13-R19 HydrophobicContact CG2-CB 3.97Å; I13-R19 WeakPolarHBondContact O-CD 3.4Å; I13-R19 PolarHBondContact O-NH1 3.32Å; I13-T22 HydrophobicContact CD1-CG2 3.98Å | ||
| 14 | V | 93.1 | Very high | 88 | Confident | 121 Ų | 121 | 112.2 Ų | 112.2 | 73% | 0.733 | 57% | 0.569 | S | S | * | * | trans | -61 | -49.1 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | W12 N16 R19 | W12-V14 PolarHBondContact O-N 2.84Å; V14-N16 PolarHBondContact O-N 3.36Å; V14-R19 PolarHBondContact O-NH1 3.01Å | ||
| 15 | E | 92.7 | Very high | 89.7 | Confident | 111 Ų | 111 | 113.7 Ų | 113.7 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | trans | -67 | 119 | -176.5 | 179.5 | 48.6 | -131.3 | 0 | 0 | 112.6 | A17 S18 R19 | E15-A17 PolarHBondContact O-N 2.95Å; E15-A17 PolarHBondContact OE1-N 3.05Å; E15-S18 PolarHBondContact O-N 3.17Å; E15-R19 WeakPolarHBondContact O-CB 3.27Å; E15-R19 PolarHBondContact O-N 3.32Å | ||
| 16 | N | 92.6 | Very high | 90.8 | Very high | 94 Ų | 94 | 110.2 Ų | 110.2 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | -172.5 | -71.4 | -16.4 | 0 | 0 | 0 | 112.5 | V14 R19 N20 | V14-N16 PolarHBondContact O-N 3.36Å; N16-R19 PolarHBondContact O-N 3.4Å; N16-R19 VanDerWaalsContact OD1-CZ 3.24Å; N16-R19 PolarHBondContact OD1-NH1 3.4Å; N16-R19 PolarHBondContact OD1-NH2 2.95Å; N16-N20 WeakPolarHBondContact O-CB 3.45Å; N16-N20 PolarHBondContact O-N 3.44Å |
| 17 | A | 92.9 | Very high | 91.4 | Very high | 67 Ų | 67 | 111.6 Ų | 111.6 | 55% | 0.554 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | E15 N20 A21 | E15-A17 PolarHBondContact O-N 2.95Å; E15-A17 PolarHBondContact OE1-N 3.05Å; A17-N20 PolarHBondContact O-N 3.46Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 2.92Å |
| 18 | S | 93.3 | Very high | 91.9 | Very high | 62 Ų | 62 | 104 Ų | 104 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | E15 T22 | E15-S18 PolarHBondContact O-N 3.17Å; S18-T22 VanDerWaalsContact O-CB 3.31Å; S18-T22 WeakPolarHBondContact O-CB 3.44Å; S18-T22 PolarHBondContact O-N 3.47Å; S18-T22 PolarHBondContact O-OG1 3.05Å |
| 19 | R | 93.6 | Very high | 92.5 | Very high | 60 Ų | 60 | 102 Ų | 102 | 23% | 0.226 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 175.7 | -172.1 | 170.5 | 64.8 | -112.6 | 3.5 | 111.2 | W12 I13 V14 E15 N16 T22 F23 | W12-R19 VanDerWaalsContact CZ2-CZ 3.48Å; I13-R19 HydrophobicContact CB-CB 3.96Å; I13-R19 HydrophobicContact CB-CG 4.23Å; I13-R19 HydrophobicContact CG2-CB 3.97Å; I13-R19 WeakPolarHBondContact O-CD 3.4Å; I13-R19 PolarHBondContact O-NH1 3.32Å; V14-R19 PolarHBondContact O-NH1 3.01Å; E15-R19 WeakPolarHBondContact O-CB 3.27Å; E15-R19 PolarHBondContact O-N 3.32Å; N16-R19 PolarHBondContact O-N 3.4Å; N16-R19 VanDerWaalsContact OD1-CZ 3.24Å; N16-R19 PolarHBondContact OD1-NH1 3.4Å; N16-R19 PolarHBondContact OD1-NH2 2.95Å; R19-T22 PolarHBondContact O-N 2.92Å; R19-F23 WeakPolarHBondContact O-CB 3.41Å; R19-F23 PolarHBondContact O-N 3.47Å |
| 20 | N | 92.3 | Very high | 93 | Very high | 57 Ų | 57 | 97.7 Ų | 97.7 | 31% | 0.305 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 178.8 | -75.3 | -16.7 | 0 | 0 | 0 | 112.6 | N16 A17 T22 F23 R24 | N16-N20 WeakPolarHBondContact O-CB 3.45Å; N16-N20 PolarHBondContact O-N 3.44Å; A17-N20 PolarHBondContact O-N 3.46Å; N20-T22 VanDerWaalsContact C-N 3.33Å; N20-T22 PolarHBondContact O-N 3.25Å; N20-F23 PolarHBondContact O-N 2.93Å; N20-R24 WeakPolarHBondContact O-CG 3.49Å; N20-R24 PolarHBondContact O-N 3.3Å |
| 21 | A | 93.4 | Very high | 93.5 | Very high | 43 Ų | 43 | 91 Ų | 91 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A17 K25 | A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 2.92Å; A21-K25 WeakPolarHBondContact O-CG 3.31Å; A21-K25 PolarHBondContact O-N 3.01Å; A21-K25 VanDerWaalsContact O-N 3.12Å |
| 22 | T | 92.7 | Very high | 93.8 | Very high | 40 Ų | 40 | 88.2 Ų | 88.2 | 25% | 0.245 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | I13 S18 R19 N20 K25 R26 | I13-T22 HydrophobicContact CD1-CG2 3.98Å; S18-T22 VanDerWaalsContact O-CB 3.31Å; S18-T22 WeakPolarHBondContact O-CB 3.44Å; S18-T22 PolarHBondContact O-N 3.47Å; S18-T22 PolarHBondContact O-OG1 3.05Å; R19-T22 PolarHBondContact O-N 2.92Å; N20-T22 VanDerWaalsContact C-N 3.33Å; N20-T22 PolarHBondContact O-N 3.25Å; T22-K25 PolarHBondContact O-N 3.43Å; T22-R26 HydrophobicContact CG2-CG 4.15Å; T22-R26 VanDerWaalsContact CG2-NE 3.3Å; T22-R26 WeakPolarHBondContact O-CB 3.37Å; T22-R26 WeakPolarHBondContact O-CG 3.3Å; T22-R26 PolarHBondContact O-N 3.43Å |
| 23 | F | 92.6 | Very high | 94.1 | Very high | 55 Ų | 55 | 84.6 Ų | 84.6 | 24% | 0.241 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.4 | -50.4 | 175.2 | 173.4 | -97.9 | 0 | 0 | 0 | 111.5 | R19 N20 K25 R26 R27 V49 Y50 | R19-F23 WeakPolarHBondContact O-CB 3.41Å; R19-F23 PolarHBondContact O-N 3.47Å; N20-F23 PolarHBondContact O-N 2.93Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.23Å; F23-R26 PolarHBondContact O-N 3.41Å; F23-R27 WeakPolarHBondContact O-CB 3.19Å; F23-R27 PolarHBondContact O-N 3.04Å; F23-V49 HydrophobicContact CE2-CG1 3.9Å; F23-V49 HydrophobicContact CZ-CG1 3.86Å; F23-Y50 WeakPolarHBondContact CZ-O 3.23Å |
| 24 | R | 92.3 | Very high | 94.4 | Very high | 167 Ų | 167 | 82.6 Ų | 82.6 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.8 | -46 | 178.5 | -71.1 | 176.6 | -173.9 | 157.6 | 1.5 | 111.9 | N20 A28 | N20-R24 WeakPolarHBondContact O-CG 3.49Å; N20-R24 PolarHBondContact O-N 3.3Å; R24-A28 PolarHBondContact O-N 3.41Å; R24-A28 VanDerWaalsContact O-N 3.1Å |
| 25 | K | 93.6 | Very high | 94.6 | Very high | 154 Ų | 154 | 80.8 Ų | 80.8 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.2 | -51.1 | 176.8 | -72.9 | 177.4 | -179.8 | 178.1 | 0 | 111.6 | A21 T22 F23 R27 A28 T29 | A21-K25 WeakPolarHBondContact O-CG 3.31Å; A21-K25 PolarHBondContact O-N 3.01Å; A21-K25 VanDerWaalsContact O-N 3.12Å; T22-K25 PolarHBondContact O-N 3.43Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.23Å; K25-R27 PolarHBondContact O-N 3.16Å; K25-A28 PolarHBondContact O-N 3.1Å; K25-T29 WeakPolarHBondContact O-CG2 3.44Å; K25-T29 PolarHBondContact O-N 3.49Å; K25-T29 PolarHBondContact O-OG1 3.04Å |
| 26 | R | 95 | Very high | 94.8 | Very high | 143 Ų | 143 | 79.1 Ų | 79.1 | 54% | 0.54 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | -179.3 | -73.3 | -177.1 | -174.5 | 175.4 | 4.5 | 112.1 | T22 F23 T29 L30 | T22-R26 HydrophobicContact CG2-CG 4.15Å; T22-R26 VanDerWaalsContact CG2-NE 3.3Å; T22-R26 WeakPolarHBondContact O-CB 3.37Å; T22-R26 WeakPolarHBondContact O-CG 3.3Å; T22-R26 PolarHBondContact O-N 3.43Å; F23-R26 PolarHBondContact O-N 3.41Å; R26-T29 WeakPolarHBondContact CA-OG1 3.39Å; R26-T29 PolarHBondContact O-N 2.91Å; R26-T29 PolarHBondContact O-OG1 3.32Å; R26-L30 VanDerWaalsContact O-CB 3.24Å; R26-L30 WeakPolarHBondContact O-CB 3.48Å; R26-L30 PolarHBondContact O-N 3.48Å |
| 27 | R | 94.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 78.7 Ų | 78.7 | 32% | 0.321 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.1 | -51 | 175.8 | -177 | -178.4 | 74.7 | 169.5 | 4.1 | 111.1 | F23 K25 T29 L30 L31 V49 A59 | F23-R27 WeakPolarHBondContact O-CB 3.19Å; F23-R27 PolarHBondContact O-N 3.04Å; K25-R27 PolarHBondContact O-N 3.16Å; R27-T29 PolarHBondContact O-N 2.93Å; R27-L30 PolarHBondContact O-N 2.88Å; R27-L31 HydrophobicContact CG-CD1 4.31Å; R27-L31 WeakPolarHBondContact O-CG 3.45Å; R27-L31 PolarHBondContact O-N 3.48Å; R27-L31 VanDerWaalsContact O-N 3.1Å; R27-V49 HydrophobicContact CG-CB 4.18Å; R27-V49 HydrophobicContact CG-CG1 4.02Å; R27-V49 HydrophobicContact CG-CG2 4.47Å; R27-A59 HydrophobicContact CG-CB 4.34Å |
| 28 | A | 94.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 77 Ų | 77 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R24 K25 L30 L31 E32 | R24-A28 PolarHBondContact O-N 3.41Å; R24-A28 VanDerWaalsContact O-N 3.1Å; K25-A28 PolarHBondContact O-N 3.1Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.26Å; A28-L31 PolarHBondContact O-N 2.91Å; A28-E32 PolarHBondContact O-N 3.44Å; A28-E32 VanDerWaalsContact O-N 3.1Å |
| 29 | T | 96.6 | Very high | 95.4 | Very high | 85 Ų | 85 | 78.5 Ų | 78.5 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.1 | -33.7 | 178.4 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | K25 R26 R27 K33 | K25-T29 WeakPolarHBondContact O-CG2 3.44Å; K25-T29 PolarHBondContact O-N 3.49Å; K25-T29 PolarHBondContact O-OG1 3.04Å; R26-T29 WeakPolarHBondContact CA-OG1 3.39Å; R26-T29 PolarHBondContact O-N 2.91Å; R26-T29 PolarHBondContact O-OG1 3.32Å; R27-T29 PolarHBondContact O-N 2.93Å; T29-K33 WeakPolarHBondContact O-CB 3.4Å; T29-K33 WeakPolarHBondContact O-CG 3.32Å; T29-K33 PolarHBondContact O-N 3.1Å |
| 30 | L | 97.1 | Very high | 95.7 | Very high | 86 Ų | 86 | 82.4 Ų | 82.4 | 45% | 0.45 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68 | -44 | 179.2 | 179.2 | 63.1 | 0 | 0 | 0 | 111 | R26 R27 A28 K33 A34 V47 V49 | R26-L30 VanDerWaalsContact O-CB 3.24Å; R26-L30 WeakPolarHBondContact O-CB 3.48Å; R26-L30 PolarHBondContact O-N 3.48Å; R27-L30 PolarHBondContact O-N 2.88Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.26Å; L30-K33 PolarHBondContact O-N 2.82Å; L30-A34 PolarHBondContact O-N 3.35Å; L30-V47 HydrophobicContact CD2-CG1 4.01Å; L30-V47 HydrophobicContact CG-CG1 4.14Å; L30-V49 HydrophobicContact CD2-CG2 4.02Å |
| 31 | L | 96.4 | Very high | 95.9 | Very high | 29 Ų | 29 | 83 Ų | 83 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 177.3 | -64.3 | 171.8 | 0 | 0 | 0 | 111.4 | R27 A28 K33 A34 K35 V47 A59 W61 | R27-L31 HydrophobicContact CG-CD1 4.31Å; R27-L31 WeakPolarHBondContact O-CG 3.45Å; R27-L31 PolarHBondContact O-N 3.48Å; R27-L31 VanDerWaalsContact O-N 3.1Å; A28-L31 PolarHBondContact O-N 2.91Å; L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-A34 WeakPolarHBondContact O-CB 3.41Å; L31-A34 PolarHBondContact O-N 3.02Å; L31-K35 PolarHBondContact O-N 2.83Å; L31-V47 HydrophobicContact CD2-CB 4.33Å; L31-V47 HydrophobicContact CD2-CG1 4.12Å; L31-A59 HydrophobicContact CD1-CB 3.93Å; L31-W61 HydrophobicContact CB-CB 4.46Å; L31-W61 HydrophobicContact CD2-CB 3.71Å |
| 32 | E | 97.6 | Very high | 96 | Very high | 93 Ų | 93 | 90.1 Ų | 90.1 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.9 | -168.9 | 60.3 | -150.9 | 0 | 0 | 111.6 | A28 A34 K35 E36 | A28-E32 PolarHBondContact O-N 3.44Å; A28-E32 VanDerWaalsContact O-N 3.1Å; E32-A34 PolarHBondContact O-N 3.47Å; E32-K35 WeakPolarHBondContact O-CB 3.49Å; E32-K35 PolarHBondContact O-N 3.37Å; E32-E36 WeakPolarHBondContact O-CG 3.23Å; E32-E36 PolarHBondContact O-N 3.19Å |
| 33 | K | 97.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 92.2 Ų | 92.2 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.7 | -33.8 | 176.4 | -69.7 | -67.3 | 169.6 | -142.6 | 0 | 113.2 | T29 L30 L31 K35 E36 L37 | T29-K33 WeakPolarHBondContact O-CB 3.4Å; T29-K33 WeakPolarHBondContact O-CG 3.32Å; T29-K33 PolarHBondContact O-N 3.1Å; L30-K33 PolarHBondContact O-N 2.82Å; L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.27Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K33-E36 WeakPolarHBondContact CD-OE2 3.24Å; K33-E36 IonicContact NZ-OE1 2.56Å; K33-E36 PolarHBondContact NZ-OE1 3.3Å; K33-E36 IonicContact NZ-OE2 3.19Å; K33-E36 PolarHBondContact NZ-OE2 2.85Å; K33-E36 PolarHBondContact O-N 3.49Å; K33-L37 VanDerWaalsContact O-CB 3.31Å; K33-L37 WeakPolarHBondContact O-CB 3.38Å; K33-L37 PolarHBondContact O-N 3.37Å |
| 34 | A | 97.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 94.1 Ų | 94.1 | 5% | 0.05 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | L30 L31 E32 L37 S38 V45 V47 W61 | L30-A34 PolarHBondContact O-N 3.35Å; L31-A34 WeakPolarHBondContact O-CB 3.41Å; L31-A34 PolarHBondContact O-N 3.02Å; E32-A34 PolarHBondContact O-N 3.47Å; A34-L37 PolarHBondContact O-N 3.1Å; A34-S38 WeakPolarHBondContact O-CB 3.32Å; A34-S38 PolarHBondContact O-N 3.12Å; A34-V45 HydrophobicContact CB-CG1 4.26Å; A34-V47 HydrophobicContact CB-CB 4.25Å; A34-V47 HydrophobicContact CB-CG2 3.58Å; A34-W61 HydrophobicContact CB-CB 4.44Å; A34-W61 HydrophobicContact CB-CG 4.25Å |
| 35 | K | 97 | Very high | 96.4 | Very high | 84 Ų | 84 | 87.3 Ų | 87.3 | 37% | 0.365 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 172.8 | 176.6 | 178.6 | 178.7 | -166.7 | 0 | 112.5 | L31 E32 K33 L37 S38 T39 W61 | L31-K35 PolarHBondContact O-N 2.83Å; E32-K35 WeakPolarHBondContact O-CB 3.49Å; E32-K35 PolarHBondContact O-N 3.37Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K35-L37 VanDerWaalsContact C-N 3.31Å; K35-L37 PolarHBondContact O-N 3.12Å; K35-S38 PolarHBondContact O-N 3.4Å; K35-T39 WeakPolarHBondContact O-CB 3.32Å; K35-T39 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-OG1 2.92Å; K35-W61 VanDerWaalsContact CA-NE1 3.33Å; K35-W61 HydrophobicContact CB-CD2 4Å; K35-W61 VanDerWaalsContact CB-CE2 3.45Å; K35-W61 HydrophobicContact CB-CE3 4.5Å; K35-W61 HydrophobicContact CB-CH2 4.07Å; K35-W61 HydrophobicContact CB-CZ2 3.51Å; K35-W61 HydrophobicContact CD-CH2 3.58Å; K35-W61 HydrophobicContact CD-CZ2 3.81Å; K35-W61 HydrophobicContact CD-CZ3 4.09Å; K35-W61 HydrophobicContact CG-CH2 3.71Å; K35-W61 HydrophobicContact CG-CZ2 3.36Å; K35-W61 HydrophobicContact CG-CZ3 4.49Å |
| 36 | E | 98.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 82 Ų | 82 | 35% | 0.35 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.2 | -47.1 | 175.6 | -72.1 | 176 | -149.2 | 0 | 0 | 110.8 | E32 K33 T39 L40 | E32-E36 WeakPolarHBondContact O-CG 3.23Å; E32-E36 PolarHBondContact O-N 3.19Å; K33-E36 WeakPolarHBondContact CD-OE2 3.24Å; K33-E36 IonicContact NZ-OE1 2.56Å; K33-E36 PolarHBondContact NZ-OE1 3.3Å; K33-E36 IonicContact NZ-OE2 3.19Å; K33-E36 PolarHBondContact NZ-OE2 2.85Å; K33-E36 PolarHBondContact O-N 3.49Å; E36-T39 PolarHBondContact O-N 2.8Å; E36-L40 WeakPolarHBondContact O-CB 3.33Å; E36-L40 VanDerWaalsContact O-CG 3.27Å; E36-L40 WeakPolarHBondContact O-CG 3.35Å; E36-L40 PolarHBondContact O-N 3.3Å |
| 37 | L | 97.5 | Very high | 96.6 | Very high | 85 Ų | 85 | 76.7 Ų | 76.7 | 45% | 0.445 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | -179.7 | -175.6 | 68.1 | 0 | 0 | 0 | 112.5 | K33 A34 K35 T39 L40 C41 V45 | K33-L37 VanDerWaalsContact O-CB 3.31Å; K33-L37 WeakPolarHBondContact O-CB 3.38Å; K33-L37 PolarHBondContact O-N 3.37Å; A34-L37 PolarHBondContact O-N 3.1Å; K35-L37 VanDerWaalsContact C-N 3.31Å; K35-L37 PolarHBondContact O-N 3.12Å; L37-T39 VanDerWaalsContact C-N 3.27Å; L37-T39 PolarHBondContact O-N 3.24Å; L37-L40 PolarHBondContact O-N 3.1Å; L37-C41 WeakPolarHBondContact O-CB 3.19Å; L37-C41 PolarHBondContact O-N 2.89Å; L37-V45 HydrophobicContact CD2-CG2 4.28Å; L37-V45 HydrophobicContact CG-CG2 4.41Å |
| 38 | S | 97.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 75 Ų | 75 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 175.8 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | A34 K35 K42 I43 | A34-S38 WeakPolarHBondContact O-CB 3.32Å; A34-S38 PolarHBondContact O-N 3.12Å; K35-S38 PolarHBondContact O-N 3.4Å; S38-K42 VanDerWaalsContact O-CA 3.23Å; S38-K42 WeakPolarHBondContact O-CA 3.4Å; S38-K42 PolarHBondContact O-N 3.48Å; S38-I43 WeakPolarHBondContact CA-O 3.4Å; S38-I43 PolarHBondContact O-N 3.27Å; S38-I43 PolarHBondContact OG-O 3.45Å |
| 39 | T | 96.9 | Very high | 96.5 | Very high | 93 Ų | 93 | 73.2 Ų | 73.2 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.7 | -47 | -178.2 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | K35 E36 L37 | K35-T39 WeakPolarHBondContact O-CB 3.32Å; K35-T39 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-OG1 2.92Å; E36-T39 PolarHBondContact O-N 2.8Å; L37-T39 VanDerWaalsContact C-N 3.27Å; L37-T39 PolarHBondContact O-N 3.24Å |
| 40 | L | 98.1 | Very high | 96.2 | Very high | 142 Ų | 142 | 77.2 Ų | 77.2 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68 | -44.3 | -176.2 | -72 | 173.3 | 0 | 0 | 0 | 112 | E36 L37 | E36-L40 WeakPolarHBondContact O-CB 3.33Å; E36-L40 VanDerWaalsContact O-CG 3.27Å; E36-L40 WeakPolarHBondContact O-CG 3.35Å; E36-L40 PolarHBondContact O-N 3.3Å; L37-L40 PolarHBondContact O-N 3.1Å |
| 41 | C | 97.4 | Very high | 95.7 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 48% | 0.48 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -90.1 | -8.5 | -176.6 | -65.1 | 0 | 0 | 0 | 0 | 113 | L37 I43 | L37-C41 WeakPolarHBondContact O-CB 3.19Å; L37-C41 PolarHBondContact O-N 2.89Å; C41-I43 HydrophobicContact CB-CD1 3.97Å; C41-I43 HydrophobicContact CB-CG1 3.77Å; C41-I43 HydrophobicContact CB-CG2 4.44Å; C41-I43 PolarHBondContact O-N 3.27Å |
| 42 | K | 96.6 | Very high | 95 | Very high | 192 Ų | 192 | 77.1 Ų | 77.1 | 84% | 0.835 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 41.6 | -175.4 | -56.3 | 179.3 | -178 | 175 | 0 | 112.5 | S38 | S38-K42 VanDerWaalsContact O-CA 3.23Å; S38-K42 WeakPolarHBondContact O-CA 3.4Å; S38-K42 PolarHBondContact O-N 3.48Å |
| 43 | I | 95.4 | Very high | 93.7 | Very high | 83 Ų | 83 | 75.6 Ų | 75.6 | 43% | 0.426 | 42% | 0.417 | S | S | . | . | trans | -120 | 146.9 | 179.3 | 58.8 | 174.7 | 0 | 0 | 0 | 110.7 | S38 C41 V45 | S38-I43 WeakPolarHBondContact CA-O 3.4Å; S38-I43 PolarHBondContact O-N 3.27Å; S38-I43 PolarHBondContact OG-O 3.45Å; C41-I43 HydrophobicContact CB-CD1 3.97Å; C41-I43 HydrophobicContact CB-CG1 3.77Å; C41-I43 HydrophobicContact CB-CG2 4.44Å; C41-I43 PolarHBondContact O-N 3.27Å; I43-V45 HydrophobicContact CD1-CG2 4.29Å; I43-V45 HydrophobicContact CG1-CG2 3.98Å; I43-V45 PolarHBondContact O-N 3.49Å | ||
| 44 | P | 94.6 | Very high | 92.3 | Very high | 96 Ų | 96 | 73.5 Ų | 73.5 | 62% | 0.623 | 43% | 0.428 | S | S | * | . | trans | -68.1 | 123 | 173.4 | 28.5 | -33.4 | 0 | 0 | 0 | 110.1 | I70 | P44-I70 HydrophobicContact CB-CD1 4.03Å; P44-I70 HydrophobicContact CB-CG1 4.22Å; P44-I70 HydrophobicContact CB-CG2 3.97Å | ||
| 45 | V | 95.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 81.1 Ų | 81.1 | 15% | 0.145 | 47% | 0.468 | C | S | . | . | trans | -123.7 | 134.2 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | A34 L37 I43 V47 P62 | A34-V45 HydrophobicContact CB-CG1 4.26Å; L37-V45 HydrophobicContact CD2-CG2 4.28Å; L37-V45 HydrophobicContact CG-CG2 4.41Å; I43-V45 HydrophobicContact CD1-CG2 4.29Å; I43-V45 HydrophobicContact CG1-CG2 3.98Å; I43-V45 PolarHBondContact O-N 3.49Å; V45-V47 HydrophobicContact CG1-CG2 4.42Å; V45-P62 WeakPolarHBondContact O-CD 3.41Å | ||
| 46 | V | 96 | Very high | 89.6 | Confident | 42 Ų | 42 | 80.3 Ų | 80.3 | 26% | 0.255 | 48% | 0.477 | S | S | . | . | trans | -122.3 | 130.8 | 173.5 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | V48 W61 A67 I70 M71 | V46-V48 HydrophobicContact CG1-CG2 4Å; V46-W61 CarbonylContact C-O 3.59Å; V46-W61 VanDerWaalsContact CA-O 3.32Å; V46-W61 WeakPolarHBondContact CA-O 3.47Å; V46-A67 HydrophobicContact CG1-CB 3.78Å; V46-A67 HydrophobicContact CG2-CB 4.3Å; V46-I70 HydrophobicContact CG2-CB 3.57Å; V46-I70 HydrophobicContact CG2-CD1 3.83Å; V46-I70 HydrophobicContact CG2-CG1 4.3Å; V46-I70 HydrophobicContact CG2-CG2 3.52Å; V46-M71 HydrophobicContact CG1-CG 4.15Å; V46-M71 HydrophobicContact CG1-SD 4.18Å | ||
| 47 | V | 95.8 | Very high | 88.9 | Confident | 31 Ų | 31 | 85.3 Ų | 85.3 | 19% | 0.188 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.2 | 169.5 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | L30 L31 A34 V45 V49 S60 W61 | L30-V47 HydrophobicContact CD2-CG1 4.01Å; L30-V47 HydrophobicContact CG-CG1 4.14Å; L31-V47 HydrophobicContact CD2-CB 4.33Å; L31-V47 HydrophobicContact CD2-CG1 4.12Å; A34-V47 HydrophobicContact CB-CB 4.25Å; A34-V47 HydrophobicContact CB-CG2 3.58Å; V45-V47 HydrophobicContact CG1-CG2 4.42Å; V47-V49 HydrophobicContact CG1-CG2 3.87Å; V47-S60 CarbonylContact O-C 3.58Å; V47-S60 VanDerWaalsContact O-CA 3.23Å; V47-S60 WeakPolarHBondContact O-CA 3.4Å; V47-W61 PolarHBondContact N-O 2.78Å; V47-W61 PolarHBondContact O-N 3.3Å |
| 48 | V | 93.9 | Very high | 88.5 | Confident | 49 Ų | 49 | 83 Ų | 83 | 30% | 0.297 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.8 | 175.3 | -176 | 0 | 0 | 0 | 0 | 108.1 | V46 Y50 P58 | V46-V48 HydrophobicContact CG1-CG2 4Å; V48-Y50 HydrophobicContact CG1-CD2 4.42Å; V48-Y50 HydrophobicContact CG1-CE2 3.74Å; V48-P58 HydrophobicContact CG1-CB 3.84Å |
| 49 | V | 93 | Very high | 88.3 | Confident | 23 Ų | 23 | 82.5 Ų | 82.5 | 14% | 0.139 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 117.9 | -177.7 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | F23 R27 L30 V47 A59 | F23-V49 HydrophobicContact CE2-CG1 3.9Å; F23-V49 HydrophobicContact CZ-CG1 3.86Å; R27-V49 HydrophobicContact CG-CB 4.18Å; R27-V49 HydrophobicContact CG-CG1 4.02Å; R27-V49 HydrophobicContact CG-CG2 4.47Å; L30-V49 HydrophobicContact CD2-CG2 4.02Å; V47-V49 HydrophobicContact CG1-CG2 3.87Å; V49-A59 PolarHBondContact N-O 3.44Å; V49-A59 PolarHBondContact O-N 3.07Å |
| 50 | Y | 91.1 | Very high | 88.1 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 67% | 0.667 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 133.9 | 172.4 | -63.6 | -87.2 | 0 | 0 | 0 | 110.5 | F23 V48 P58 | F23-Y50 WeakPolarHBondContact CZ-O 3.23Å; V48-Y50 HydrophobicContact CG1-CD2 4.42Å; V48-Y50 HydrophobicContact CG1-CE2 3.74Å; Y50-P58 HydrophobicContact CD1-CB 3.9Å; Y50-P58 HydrophobicContact CE1-CB 3.7Å; Y50-P58 HydrophobicContact CE1-CG 4.05Å |
| 51 | G | 86.3 | Confident | 88 | Confident | 24 Ų | 24 | 76.4 Ų | 76.4 | 25% | 0.247 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 161.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | G53 | G51-G53 PolarHBondContact O-N 2.88Š|
| 52 | P | 81.5 | Confident | 87.9 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 131 | 167.8 | 26.6 | -32.2 | 0 | 0 | 0 | 109.5 | ||
| 53 | G | 71.3 | Confident | 87.7 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.3 | 0.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | G51 N55 | G51-G53 PolarHBondContact O-N 2.88Å; G53-N55 PolarHBondContact O-N 2.93Å; G53-N55 PolarHBondContact O-ND2 2.74Å; G53-N55 PolarHBondContact O-OD1 2.84Å |
| 54 | G | 68.6 | Low | 87.6 | Confident | 71 Ų | 71 | 71 Ų | 71 | 73% | 0.732 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 65.8 | -22.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 55 | N | 60.8 | Low | 87.5 | Confident | 166 Ų | 166 | 71.4 Ų | 71.4 | 89% | 0.888 | 42% | 0.415 | S | S | * | . | trans | -93.5 | -2.1 | -167.2 | -61.4 | -21.6 | 0 | 0 | 0 | 113.9 | G53 | G53-N55 PolarHBondContact O-N 2.93Å; G53-N55 PolarHBondContact O-ND2 2.74Å; G53-N55 PolarHBondContact O-OD1 2.84Å | ||
| 56 | A | 76.7 | Confident | 87.5 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 55% | 0.554 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -103.4 | 142.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 57 | E | 83.3 | Confident | 87.4 | Confident | 180 Ų | 180 | 73.5 Ų | 73.5 | 84% | 0.841 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 137.1 | 171.9 | -68 | -172 | 159.2 | 0 | 0 | 110.9 | A59 | E57-A59 PolarHBondContact O-N 3.49Š|
| 58 | P | 89.2 | Confident | 87.4 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 24% | 0.24 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 136.5 | -179.1 | 27 | -33.1 | 0 | 0 | 0 | 110.5 | V48 Y50 S60 | V48-P58 HydrophobicContact CG1-CB 3.84Å; Y50-P58 HydrophobicContact CD1-CB 3.9Å; Y50-P58 HydrophobicContact CE1-CB 3.7Å; Y50-P58 HydrophobicContact CE1-CG 4.05Å; P58-S60 PolarHBondContact O-N 3.32Å |
| 59 | A | 91.2 | Very high | 87.5 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | R27 L31 V49 E57 | R27-A59 HydrophobicContact CG-CB 4.34Å; L31-A59 HydrophobicContact CD1-CB 3.93Å; V49-A59 PolarHBondContact N-O 3.44Å; V49-A59 PolarHBondContact O-N 3.07Å; E57-A59 PolarHBondContact O-N 3.49Å |
| 60 | S | 93.8 | Very high | 87.7 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 19% | 0.189 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.7 | -178.8 | 50.4 | 0 | 0 | 0 | 0 | 112 | V47 P58 P62 L64 | V47-S60 CarbonylContact O-C 3.58Å; V47-S60 VanDerWaalsContact O-CA 3.23Å; V47-S60 WeakPolarHBondContact O-CA 3.4Å; P58-S60 PolarHBondContact O-N 3.32Å; S60-P62 CarbonylContact C-O 3.16Å; S60-P62 PolarHBondContact OG-O 2.83Å; S60-L64 PolarHBondContact OG-N 3.39Å |
| 61 | W | 95.6 | Very high | 87.8 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.6 | 163.6 | 177.7 | -95.3 | 0 | 0 | 0 | 108.8 | L31 A34 K35 V46 V47 | L31-W61 HydrophobicContact CB-CB 4.46Å; L31-W61 HydrophobicContact CD2-CB 3.71Å; A34-W61 HydrophobicContact CB-CB 4.44Å; A34-W61 HydrophobicContact CB-CG 4.25Å; K35-W61 VanDerWaalsContact CA-NE1 3.33Å; K35-W61 HydrophobicContact CB-CD2 4Å; K35-W61 VanDerWaalsContact CB-CE2 3.45Å; K35-W61 HydrophobicContact CB-CE3 4.5Å; K35-W61 HydrophobicContact CB-CH2 4.07Å; K35-W61 HydrophobicContact CB-CZ2 3.51Å; K35-W61 HydrophobicContact CD-CH2 3.58Å; K35-W61 HydrophobicContact CD-CZ2 3.81Å; K35-W61 HydrophobicContact CD-CZ3 4.09Å; K35-W61 HydrophobicContact CG-CH2 3.71Å; K35-W61 HydrophobicContact CG-CZ2 3.36Å; K35-W61 HydrophobicContact CG-CZ3 4.49Å; V46-W61 CarbonylContact C-O 3.59Å; V46-W61 VanDerWaalsContact CA-O 3.32Å; V46-W61 WeakPolarHBondContact CA-O 3.47Å; V47-W61 PolarHBondContact N-O 2.78Å; V47-W61 PolarHBondContact O-N 3.3Å |
| 62 | P | 95.2 | Very high | 88.3 | Confident | 10 Ų | 10 | 81.1 Ų | 81.1 | 7% | 0.065 | 45% | 0.447 | C | S | . | . | S | Bend | cis | -65.9 | -161.3 | -10.5 | 31.9 | -37.9 | 0 | 0 | 0 | 111.8 | V45 S60 E66 I70 | V45-P62 WeakPolarHBondContact O-CD 3.41Å; S60-P62 CarbonylContact C-O 3.16Å; S60-P62 PolarHBondContact OG-O 2.83Å; P62-E66 HydrophobicContact CB-CB 4.22Å; P62-E66 HydrophobicContact CB-CG 4.29Å; P62-E66 VanDerWaalsContact CB-OE2 3.3Å; P62-E66 WeakPolarHBondContact CB-OE2 3.32Å; P62-E66 HydrophobicContact CG-CB 3.77Å; P62-E66 HydrophobicContact CG-CG 3.66Å; P62-I70 HydrophobicContact CG-CD1 4.09Å |
| 63 | E | 93.1 | Very high | 88.9 | Confident | 155 Ų | 155 | 84.5 Ų | 84.5 | 72% | 0.724 | 45% | 0.453 | S | S | * | . | trans | -52.2 | 146.5 | 173.7 | -172.5 | 172.3 | -165.3 | 0 | 0 | 111.1 | E65 E66 A67 | E63-E65 PolarHBondContact O-N 3.35Å; E63-E66 PolarHBondContact O-N 2.96Å; E63-A67 PolarHBondContact O-N 3.39Å | ||
| 64 | L | 92.1 | Very high | 90 | Very high | 69 Ų | 69 | 86.4 Ų | 86.4 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -51.4 | -38.4 | -169.1 | -176.6 | 62.3 | 0 | 0 | 0 | 113.3 | S60 A67 K68 | S60-L64 PolarHBondContact OG-N 3.39Å; L64-A67 PolarHBondContact O-N 2.94Å; L64-K68 WeakPolarHBondContact O-CB 3.48Å; L64-K68 VanDerWaalsContact O-CG 3.24Å; L64-K68 WeakPolarHBondContact O-CG 3.31Å; L64-K68 PolarHBondContact O-N 2.89Å |
| 65 | E | 93.8 | Very high | 91.1 | Very high | 103 Ų | 103 | 89.1 Ų | 89.1 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 178.8 | -67.7 | -53 | 128.7 | 0 | 0 | 113.3 | E63 K68 K69 | E63-E65 PolarHBondContact O-N 3.35Å; E65-K68 IonicContact OE1-NZ 2.65Å; E65-K68 PolarHBondContact OE1-NZ 2.67Å; E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K69 PolarHBondContact O-N 3.3Å |
| 66 | E | 94.7 | Very high | 92.7 | Very high | 109 Ų | 109 | 85.3 Ų | 85.3 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.8 | -40 | 174.8 | -173.1 | 176.5 | -165.6 | 0 | 0 | 111 | P62 E63 K68 K69 I70 | P62-E66 HydrophobicContact CB-CB 4.22Å; P62-E66 HydrophobicContact CB-CG 4.29Å; P62-E66 VanDerWaalsContact CB-OE2 3.3Å; P62-E66 WeakPolarHBondContact CB-OE2 3.32Å; P62-E66 HydrophobicContact CG-CB 3.77Å; P62-E66 HydrophobicContact CG-CG 3.66Å; E63-E66 PolarHBondContact O-N 2.96Å; E66-K68 VanDerWaalsContact C-N 3.32Å; E66-K68 PolarHBondContact O-N 3.48Å; E66-K69 WeakPolarHBondContact O-CB 3.26Å; E66-K69 PolarHBondContact O-N 2.98Å; E66-K69 VanDerWaalsContact O-N 3.16Å; E66-I70 HydrophobicContact CG-CD1 4.24Å; E66-I70 WeakPolarHBondContact O-CG1 3.39Å; E66-I70 PolarHBondContact O-N 2.93Å |
| 67 | A | 95.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 86.2 Ų | 86.2 | 1% | 0.008 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57 | -45.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V46 E63 L64 K69 I70 M71 | V46-A67 HydrophobicContact CG1-CB 3.78Å; V46-A67 HydrophobicContact CG2-CB 4.3Å; E63-A67 PolarHBondContact O-N 3.39Å; L64-A67 PolarHBondContact O-N 2.94Å; A67-K69 PolarHBondContact O-N 3.36Å; A67-I70 PolarHBondContact O-N 3.3Å; A67-M71 WeakPolarHBondContact O-CB 3.24Å; A67-M71 VanDerWaalsContact O-CG 3.26Å; A67-M71 WeakPolarHBondContact O-CG 3.48Å; A67-M71 PolarHBondContact O-N 2.94Å |
| 68 | K | 95.5 | Very high | 93.8 | Very high | 87 Ų | 87 | 82 Ų | 82 | 38% | 0.378 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 174.6 | -77.2 | 169.7 | -176.1 | 169.1 | 0 | 112.2 | L64 E65 E66 I70 M71 Q72 | L64-K68 WeakPolarHBondContact O-CB 3.48Å; L64-K68 VanDerWaalsContact O-CG 3.24Å; L64-K68 WeakPolarHBondContact O-CG 3.31Å; L64-K68 PolarHBondContact O-N 2.89Å; E65-K68 IonicContact OE1-NZ 2.65Å; E65-K68 PolarHBondContact OE1-NZ 2.67Å; E66-K68 VanDerWaalsContact C-N 3.32Å; E66-K68 PolarHBondContact O-N 3.48Å; K68-I70 VanDerWaalsContact C-N 3.35Å; K68-I70 PolarHBondContact O-N 3.18Å; K68-M71 PolarHBondContact O-N 3.4Å; K68-Q72 VanDerWaalsContact O-CG 3.32Å; K68-Q72 WeakPolarHBondContact O-CG 3.42Å; K68-Q72 PolarHBondContact O-N 3.41Å |
| 69 | K | 96.2 | Very high | 93.8 | Very high | 127 Ų | 127 | 84.5 Ų | 84.5 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.1 | -42.9 | 178.3 | -70.6 | 171 | -173.8 | 173.7 | 0 | 111.8 | E65 E66 A67 Q72 K73 | E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K69 PolarHBondContact O-N 3.3Å; E66-K69 WeakPolarHBondContact O-CB 3.26Å; E66-K69 PolarHBondContact O-N 2.98Å; E66-K69 VanDerWaalsContact O-N 3.16Å; A67-K69 PolarHBondContact O-N 3.36Å; K69-Q72 PolarHBondContact O-N 3.19Å; K69-K73 WeakPolarHBondContact O-CG 3.12Å; K69-K73 PolarHBondContact O-N 3.44Å; K69-K73 VanDerWaalsContact O-N 3.1Å |
| 70 | I | 95.9 | Very high | 93.6 | Very high | 36 Ų | 36 | 87.2 Ų | 87.2 | 19% | 0.185 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 177.6 | -63 | 164.7 | 0 | 0 | 0 | 110.4 | P44 V46 P62 E66 A67 K68 Q72 K73 Y74 | P44-I70 HydrophobicContact CB-CD1 4.03Å; P44-I70 HydrophobicContact CB-CG1 4.22Å; P44-I70 HydrophobicContact CB-CG2 3.97Å; V46-I70 HydrophobicContact CG2-CB 3.57Å; V46-I70 HydrophobicContact CG2-CD1 3.83Å; V46-I70 HydrophobicContact CG2-CG1 4.3Å; V46-I70 HydrophobicContact CG2-CG2 3.52Å; P62-I70 HydrophobicContact CG-CD1 4.09Å; E66-I70 HydrophobicContact CG-CD1 4.24Å; E66-I70 WeakPolarHBondContact O-CG1 3.39Å; E66-I70 PolarHBondContact O-N 2.93Å; A67-I70 PolarHBondContact O-N 3.3Å; K68-I70 VanDerWaalsContact C-N 3.35Å; K68-I70 PolarHBondContact O-N 3.18Å; I70-Q72 PolarHBondContact O-N 3Å; I70-K73 PolarHBondContact O-N 3Å; I70-Y74 PolarHBondContact O-N 3.22Å |
| 71 | M | 94.8 | Very high | 93.2 | Very high | 83 Ų | 83 | 88.7 Ų | 88.7 | 41% | 0.409 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.6 | -72.3 | 174.7 | 67.1 | 0 | 0 | 112.3 | V46 A67 K68 Y74 Q75 | V46-M71 HydrophobicContact CG1-CG 4.15Å; V46-M71 HydrophobicContact CG1-SD 4.18Å; A67-M71 WeakPolarHBondContact O-CB 3.24Å; A67-M71 VanDerWaalsContact O-CG 3.26Å; A67-M71 WeakPolarHBondContact O-CG 3.48Å; A67-M71 PolarHBondContact O-N 2.94Å; K68-M71 PolarHBondContact O-N 3.4Å; M71-Y74 WeakPolarHBondContact O-CB 3.47Å; M71-Y74 PolarHBondContact O-N 2.85Å; M71-Q75 WeakPolarHBondContact O-CG 3.42Å; M71-Q75 PolarHBondContact O-N 2.72Å |
| 72 | Q | 96.1 | Very high | 92.8 | Very high | 124 Ų | 124 | 86 Ų | 86 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.9 | -45 | 175.2 | -75.1 | 171.7 | -7.8 | 0 | 0 | 111.6 | K68 K69 I70 Y74 Q75 A76 | K68-Q72 VanDerWaalsContact O-CG 3.32Å; K68-Q72 WeakPolarHBondContact O-CG 3.42Å; K68-Q72 PolarHBondContact O-N 3.41Å; K69-Q72 PolarHBondContact O-N 3.19Å; I70-Q72 PolarHBondContact O-N 3Å; Q72-Y74 VanDerWaalsContact C-N 3.3Å; Q72-Y74 PolarHBondContact O-N 3.46Å; Q72-Q75 PolarHBondContact O-N 3.17Å; Q72-A76 PolarHBondContact O-N 3.39Å |
| 73 | K | 94.7 | Very high | 92.2 | Very high | 160 Ų | 160 | 90 Ų | 90 | 70% | 0.696 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.3 | -42 | 174 | -72.9 | 178 | -179.8 | -178.2 | 0 | 111.7 | K69 I70 A76 | K69-K73 WeakPolarHBondContact O-CG 3.12Å; K69-K73 PolarHBondContact O-N 3.44Å; K69-K73 VanDerWaalsContact O-N 3.1Å; I70-K73 PolarHBondContact O-N 3Å; K73-A76 PolarHBondContact O-N 3.4Å |
| 74 | Y | 92.6 | Very high | 91.7 | Very high | 102 Ų | 102 | 88.4 Ų | 88.4 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 175.6 | 177.4 | -100.6 | 0 | 0 | 0 | 111.9 | I70 M71 Q72 A76 L77 K82 | I70-Y74 PolarHBondContact O-N 3.22Å; M71-Y74 WeakPolarHBondContact O-CB 3.47Å; M71-Y74 PolarHBondContact O-N 2.85Å; Q72-Y74 VanDerWaalsContact C-N 3.3Å; Q72-Y74 PolarHBondContact O-N 3.46Å; Y74-A76 VanDerWaalsContact C-N 3.3Å; Y74-A76 PolarHBondContact O-N 3.36Å; Y74-L77 HydrophobicContact CD2-CD1 4.22Å; Y74-L77 WeakPolarHBondContact O-CB 3.32Å; Y74-L77 PolarHBondContact O-N 2.84Å; Y74-K82 HydrophobicContact CE1-CD 4.15Å; Y74-K82 HydrophobicContact CE2-CG 4.31Å; Y74-K82 WeakPolarHBondContact O-CE 3.34Å |
| 75 | Q | 92.1 | Very high | 91.2 | Very high | 127 Ų | 127 | 95.9 Ų | 95.9 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.2 | -35.1 | 178.5 | -75.5 | 176.9 | -1.1 | 0 | 0 | 112.7 | M71 Q72 L77 K82 | M71-Q75 WeakPolarHBondContact O-CG 3.42Å; M71-Q75 PolarHBondContact O-N 2.72Å; Q72-Q75 PolarHBondContact O-N 3.17Å; Q75-L77 PolarHBondContact O-N 3.46Å; Q75-K82 PolarHBondContact O-NZ 3.44Å |
| 76 | A | 94.7 | Very high | 90.9 | Very high | 87 Ų | 87 | 97.9 Ų | 97.9 | 72% | 0.719 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q72 K73 Y74 | Q72-A76 PolarHBondContact O-N 3.39Å; K73-A76 PolarHBondContact O-N 3.4Å; Y74-A76 VanDerWaalsContact C-N 3.3Å; Y74-A76 PolarHBondContact O-N 3.36Å |
| 77 | L | 92.3 | Very high | 90.4 | Very high | 86 Ų | 86 | 99.2 Ų | 99.2 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -70.6 | 151.8 | 176.5 | -66 | 173.2 | 0 | 0 | 0 | 111.9 | Y74 Q75 K82 | Y74-L77 HydrophobicContact CD2-CD1 4.22Å; Y74-L77 WeakPolarHBondContact O-CB 3.32Å; Y74-L77 PolarHBondContact O-N 2.84Å; Q75-L77 PolarHBondContact O-N 3.46Å; L77-K82 WeakPolarHBondContact O-CE 3.01Å; L77-K82 PolarHBondContact O-NZ 3.33Å |
| 78 | P | 91.6 | Very high | 89.9 | Confident | 90 Ų | 90 | 102.4 Ų | 102.4 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | trans | -59.1 | 138.5 | 174.9 | -22.6 | 32.9 | 0 | 0 | 0 | 112.4 | A80 S81 | P78-A80 VanDerWaalsContact C-N 3.29Å; P78-A80 PolarHBondContact O-N 3.31Å; P78-S81 PolarHBondContact O-N 3.04Å; P78-S81 PolarHBondContact O-OG 3.27Å | ||
| 79 | E | 88.7 | Confident | 89.6 | Confident | 91 Ų | 91 | 103.5 Ų | 103.5 | 43% | 0.425 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | -174.1 | -161.7 | 57.8 | -150 | 0 | 0 | 113 | S81 K82 V83 R86 | E79-S81 PolarHBondContact O-N 3.18Å; E79-K82 WeakPolarHBondContact O-CB 3.46Å; E79-K82 PolarHBondContact O-N 3.01Å; E79-K82 WeakPolarHBondContact OE2-CD 3.47Å; E79-K82 IonicContact OE2-NZ 2.76Å; E79-K82 PolarHBondContact OE2-NZ 2.98Å; E79-V83 HydrophobicContact CG-CG2 4.11Å; E79-V83 WeakPolarHBondContact O-CG2 3.39Å; E79-V83 PolarHBondContact O-N 2.84Å; E79-R86 IonicContact OE1-NH1 3.17Å |
| 80 | A | 87.3 | Confident | 89.1 | Confident | 79 Ų | 79 | 103.1 Ų | 103.1 | 65% | 0.653 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -54.2 | -37.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P78 T84 | P78-A80 VanDerWaalsContact C-N 3.29Å; P78-A80 PolarHBondContact O-N 3.31Å; A80-T84 PolarHBondContact O-OG1 3.23Å |
| 81 | S | 85 | Confident | 88.8 | Confident | 58 Ų | 58 | 102.6 Ų | 102.6 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.2 | -27 | 177.9 | 72.4 | 0 | 0 | 0 | 0 | 113.4 | P78 E79 | P78-S81 PolarHBondContact O-N 3.04Å; P78-S81 PolarHBondContact O-OG 3.27Å; E79-S81 PolarHBondContact O-N 3.18Å |
| 82 | K | 87.3 | Confident | 88.5 | Confident | 21 Ų | 21 | 103.5 Ų | 103.5 | 9% | 0.091 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -77.7 | -51.6 | 178.7 | -60.1 | -178.4 | -159.9 | 143 | 0 | 110.6 | Y74 Q75 L77 E79 T84 R85 R86 | Y74-K82 HydrophobicContact CE1-CD 4.15Å; Y74-K82 HydrophobicContact CE2-CG 4.31Å; Y74-K82 WeakPolarHBondContact O-CE 3.34Å; Q75-K82 PolarHBondContact O-NZ 3.44Å; L77-K82 WeakPolarHBondContact O-CE 3.01Å; L77-K82 PolarHBondContact O-NZ 3.33Å; E79-K82 WeakPolarHBondContact O-CB 3.46Å; E79-K82 PolarHBondContact O-N 3.01Å; E79-K82 WeakPolarHBondContact OE2-CD 3.47Å; E79-K82 IonicContact OE2-NZ 2.76Å; E79-K82 PolarHBondContact OE2-NZ 2.98Å; K82-T84 VanDerWaalsContact C-N 3.28Å; K82-T84 PolarHBondContact O-N 2.9Å; K82-R85 CarbonylContact O-C 3.53Å; K82-R85 PolarHBondContact O-N 3.47Å; K82-R86 VanDerWaalsContact O-CB 3.22Å; K82-R86 WeakPolarHBondContact O-CB 3.22Å; K82-R86 PolarHBondContact O-N 3.23Å |
| 83 | V | 82.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 103.8 Ų | 103.8 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -55.3 | -43.6 | -172.3 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | E79 R85 R86 | E79-V83 HydrophobicContact CG-CG2 4.11Å; E79-V83 WeakPolarHBondContact O-CG2 3.39Å; E79-V83 PolarHBondContact O-N 2.84Å; V83-R85 PolarHBondContact O-N 3.02Å; V83-R86 PolarHBondContact O-N 2.91Å |
| 84 | T | 82.6 | Confident | 88.1 | Confident | 123 Ų | 123 | 101.2 Ų | 101.2 | 76% | 0.755 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.1 | -179.8 | -49.3 | 0 | 0 | 0 | 0 | 113.9 | A80 K82 | A80-T84 PolarHBondContact O-OG1 3.23Å; K82-T84 VanDerWaalsContact C-N 3.28Å; K82-T84 PolarHBondContact O-N 2.9Å |
| 85 | R | 81.9 | Confident | 88 | Confident | 226 Ų | 226 | 102.8 Ų | 102.8 | 85% | 0.853 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -4 | -175 | -65.4 | -174.9 | 175.3 | 174.8 | 0 | 113.6 | K82 V83 L87 | K82-R85 CarbonylContact O-C 3.53Å; K82-R85 PolarHBondContact O-N 3.47Å; V83-R85 PolarHBondContact O-N 3.02Å; R85-L87 PolarHBondContact O-N 3.44Å |
| 86 | R | 86.7 | Confident | 88.1 | Confident | 144 Ų | 144 | 98.5 Ų | 98.5 | 54% | 0.543 | 53% | 0.531 | S | S | . | . | trans | -79.2 | 120 | -178.7 | -170.6 | 178.1 | -155.1 | 168.5 | 1 | 109.1 | E79 K82 V83 | E79-R86 IonicContact OE1-NH1 3.17Å; K82-R86 VanDerWaalsContact O-CB 3.22Å; K82-R86 WeakPolarHBondContact O-CB 3.22Å; K82-R86 PolarHBondContact O-N 3.23Å; V83-R86 PolarHBondContact O-N 2.91Å | ||
| 87 | L | 84.4 | Confident | 88.1 | Confident | 138 Ų | 138 | 99.8 Ų | 99.8 | 72% | 0.723 | 53% | 0.526 | S | S | * | . | trans | -89.6 | 111.2 | 165.2 | -166.2 | 146.6 | 0 | 0 | 0 | 108 | R85 | R85-L87 PolarHBondContact O-N 3.44Š| ||
| 88 | D | 85.9 | Confident | 88.3 | Confident | 67 Ų | 67 | 102.6 Ų | 102.6 | 36% | 0.358 | 53% | 0.534 | S | S | . | . | trans | -94.6 | 119.6 | -179.8 | 178.6 | 30.1 | 0 | 0 | 0 | 110.8 | E90 G91 L92 R94 | D88-E90 PolarHBondContact O-N 3.43Å; D88-E90 WeakPolarHBondContact OD1-CB 3.44Å; D88-E90 PolarHBondContact OD1-N 3.05Å; D88-E90 WeakPolarHBondContact OD2-CB 3.41Å; D88-G91 PolarHBondContact O-N 3.43Å; D88-G91 PolarHBondContact OD2-N 3.05Å; D88-L92 PolarHBondContact O-N 2.67Å; D88-R94 IonicContact OD2-NH2 2.74Å; D88-R94 PolarHBondContact OD2-NH2 2.84Å; D88-R94 VanDerWaalsContact OD2-NH2 3.11Å | ||
| 89 | N | 88.4 | Confident | 88.4 | Confident | 111 Ų | 111 | 104.4 Ų | 104.4 | 59% | 0.594 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -34.3 | 175.5 | -70.9 | -30 | 0 | 0 | 0 | 111.1 | L92 L93 | N89-L92 PolarHBondContact O-N 3.11Å; N89-L93 WeakPolarHBondContact O-CB 3.45Å; N89-L93 VanDerWaalsContact O-CG 3.23Å; N89-L93 WeakPolarHBondContact O-CG 3.43Å; N89-L93 PolarHBondContact O-N 3.04Å |
| 90 | E | 87.1 | Confident | 88.7 | Confident | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.6 | -46.5 | -179.7 | -158.4 | -167.5 | 157.1 | 0 | 0 | 110.3 | D88 L92 L93 R94 | D88-E90 PolarHBondContact O-N 3.43Å; D88-E90 WeakPolarHBondContact OD1-CB 3.44Å; D88-E90 PolarHBondContact OD1-N 3.05Å; D88-E90 WeakPolarHBondContact OD2-CB 3.41Å; E90-L92 PolarHBondContact O-N 2.83Å; E90-L93 PolarHBondContact O-N 3.17Å; E90-R94 VanDerWaalsContact CG-NH1 3.27Å; E90-R94 WeakPolarHBondContact O-CB 3.48Å; E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-N 3.45Å; E90-R94 IonicContact OE1-CZ 3.11Å; E90-R94 IonicContact OE1-NH1 3.96Å; E90-R94 PolarHBondContact OE1-NH1 3.4Å; E90-R94 IonicContact OE1-NH2 3.73Å; E90-R94 IonicContact OE2-NH1 2.89Å; E90-R94 IonicContact OE2-NH2 2.91Å |
| 91 | G | 88.1 | Confident | 89.1 | Confident | 26 Ų | 26 | 102.1 Ų | 102.1 | 27% | 0.268 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.1 | -44.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D88 R94 Q95 | D88-G91 PolarHBondContact O-N 3.43Å; D88-G91 PolarHBondContact OD2-N 3.05Å; G91-R94 VanDerWaalsContact N-NH2 3.2Å; G91-R94 PolarHBondContact O-N 2.92Å; G91-Q95 WeakPolarHBondContact O-CB 3.39Å; G91-Q95 PolarHBondContact O-N 3.4Å |
| 92 | L | 88.4 | Confident | 89.7 | Confident | 101 Ų | 101 | 106 Ų | 106 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.5 | -178.9 | 66.5 | 0 | 0 | 0 | 111.9 | D88 N89 E90 Q95 G96 | D88-L92 PolarHBondContact O-N 2.67Å; N89-L92 PolarHBondContact O-N 3.11Å; E90-L92 PolarHBondContact O-N 2.83Å; L92-Q95 PolarHBondContact O-N 2.86Å; L92-G96 PolarHBondContact O-N 3.46Å |
| 93 | L | 91 | Very high | 90.1 | Very high | 131 Ų | 131 | 113 Ų | 113 | 69% | 0.686 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.8 | -42.2 | 178.2 | -71 | 171.9 | 0 | 0 | 0 | 111.5 | N89 E90 Q95 G96 L97 | N89-L93 WeakPolarHBondContact O-CB 3.45Å; N89-L93 VanDerWaalsContact O-CG 3.23Å; N89-L93 WeakPolarHBondContact O-CG 3.43Å; N89-L93 PolarHBondContact O-N 3.04Å; E90-L93 PolarHBondContact O-N 3.17Å; L93-Q95 VanDerWaalsContact C-N 3.35Å; L93-Q95 PolarHBondContact O-N 3.27Å; L93-G96 WeakPolarHBondContact O-CA 3.23Å; L93-G96 PolarHBondContact O-N 3.35Å; L93-G96 VanDerWaalsContact O-N 3.17Å; L93-L97 PolarHBondContact O-N 2.96Å |
| 94 | R | 91.4 | Very high | 90.8 | Very high | 106 Ų | 106 | 114.7 Ų | 114.7 | 40% | 0.4 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.3 | -46.4 | 172.8 | -79.8 | -173.1 | -77 | -98.9 | -4.5 | 112 | D88 E90 G91 G96 L97 K98 | D88-R94 IonicContact OD2-NH2 2.74Å; D88-R94 PolarHBondContact OD2-NH2 2.84Å; D88-R94 VanDerWaalsContact OD2-NH2 3.11Å; E90-R94 VanDerWaalsContact CG-NH1 3.27Å; E90-R94 WeakPolarHBondContact O-CB 3.48Å; E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-N 3.45Å; E90-R94 IonicContact OE1-CZ 3.11Å; E90-R94 IonicContact OE1-NH1 3.96Å; E90-R94 PolarHBondContact OE1-NH1 3.4Å; E90-R94 IonicContact OE1-NH2 3.73Å; E90-R94 IonicContact OE2-NH1 2.89Å; E90-R94 IonicContact OE2-NH2 2.91Å; G91-R94 VanDerWaalsContact N-NH2 3.2Å; G91-R94 PolarHBondContact O-N 2.92Å; R94-G96 VanDerWaalsContact C-N 3.3Å; R94-G96 PolarHBondContact O-N 2.62Å; R94-L97 PolarHBondContact O-N 3.46Å; R94-K98 WeakPolarHBondContact O-CB 3.46Å; R94-K98 PolarHBondContact O-N 3.01Å |
| 95 | Q | 91.4 | Very high | 91.5 | Very high | 135 Ų | 135 | 113.7 Ų | 113.7 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 177.1 | -170.9 | -174.7 | 20.9 | 0 | 0 | 111.3 | G91 L92 L93 K98 K99 | G91-Q95 WeakPolarHBondContact O-CB 3.39Å; G91-Q95 PolarHBondContact O-N 3.4Å; L92-Q95 PolarHBondContact O-N 2.86Å; L93-Q95 VanDerWaalsContact C-N 3.35Å; L93-Q95 PolarHBondContact O-N 3.27Å; Q95-K98 PolarHBondContact O-N 2.9Å; Q95-K99 WeakPolarHBondContact O-CB 3.4Å; Q95-K99 PolarHBondContact O-N 3.47Å |
| 96 | G | 93.3 | Very high | 92.1 | Very high | 36 Ų | 36 | 106.3 Ų | 106.3 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L92 L93 R94 K98 K99 V100 | L92-G96 PolarHBondContact O-N 3.46Å; L93-G96 WeakPolarHBondContact O-CA 3.23Å; L93-G96 PolarHBondContact O-N 3.35Å; L93-G96 VanDerWaalsContact O-N 3.17Å; R94-G96 VanDerWaalsContact C-N 3.3Å; R94-G96 PolarHBondContact O-N 2.62Å; G96-K98 PolarHBondContact O-N 3.18Å; G96-K99 WeakPolarHBondContact O-CB 3.41Å; G96-K99 PolarHBondContact O-N 3.49Å; G96-V100 WeakPolarHBondContact O-CG2 3.42Å; G96-V100 PolarHBondContact O-N 3.3Å |
| 97 | L | 95.6 | Very high | 92.6 | Very high | 115 Ų | 115 | 103.1 Ų | 103.1 | 60% | 0.602 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.7 | -45.7 | 178.3 | -176.6 | 61.8 | 0 | 0 | 0 | 111.4 | L93 R94 K99 V100 G101 | L93-L97 PolarHBondContact O-N 2.96Å; R94-L97 PolarHBondContact O-N 3.46Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 2.9Å; L97-V100 PolarHBondContact O-N 2.81Å; L97-V100 VanDerWaalsContact O-N 3.15Å; L97-G101 PolarHBondContact O-N 2.98Å |
| 98 | K | 95.3 | Very high | 93.1 | Very high | 144 Ų | 144 | 102.3 Ų | 102.3 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.1 | -40.7 | 175.4 | -173.9 | 173.8 | -174.2 | 170.2 | 0 | 112.1 | R94 Q95 G96 G101 K102 | R94-K98 WeakPolarHBondContact O-CB 3.46Å; R94-K98 PolarHBondContact O-N 3.01Å; Q95-K98 PolarHBondContact O-N 2.9Å; G96-K98 PolarHBondContact O-N 3.18Å; K98-G101 PolarHBondContact O-N 3.33Å; K98-K102 WeakPolarHBondContact O-CG 3.47Å; K98-K102 PolarHBondContact O-N 3Å |
| 99 | K | 95 | Very high | 93.4 | Very high | 128 Ų | 128 | 101.6 Ų | 101.6 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -40.1 | 177.4 | -173.4 | 175 | -176.8 | 173 | 0 | 111.9 | Q95 G96 L97 R103 | Q95-K99 WeakPolarHBondContact O-CB 3.4Å; Q95-K99 PolarHBondContact O-N 3.47Å; G96-K99 WeakPolarHBondContact O-CB 3.41Å; G96-K99 PolarHBondContact O-N 3.49Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 2.9Å; K99-R103 WeakPolarHBondContact O-CG 3.36Å; K99-R103 PolarHBondContact O-N 3.49Å |
| 100 | V | 95.3 | Very high | 93.7 | Very high | 91 Ų | 91 | 99.7 Ų | 99.7 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | G96 L97 K102 R103 F104 | G96-V100 WeakPolarHBondContact O-CG2 3.42Å; G96-V100 PolarHBondContact O-N 3.3Å; L97-V100 PolarHBondContact O-N 2.81Å; L97-V100 VanDerWaalsContact O-N 3.15Å; V100-K102 PolarHBondContact O-N 3.44Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 2.89Å; V100-R103 VanDerWaalsContact O-N 3.1Å; V100-F104 PolarHBondContact O-N 3.1Å |
| 101 | G | 95.8 | Very high | 94.1 | Very high | 32 Ų | 32 | 97.2 Ų | 97.2 | 33% | 0.33 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L97 K98 R103 F104 E105 | L97-G101 PolarHBondContact O-N 2.98Å; K98-G101 PolarHBondContact O-N 3.33Å; G101-R103 VanDerWaalsContact C-N 3.29Å; G101-R103 PolarHBondContact O-N 3.15Å; G101-F104 WeakPolarHBondContact O-CB 3.42Å; G101-F104 PolarHBondContact O-N 3.26Å; G101-F104 VanDerWaalsContact O-N 3.11Å; G101-E105 PolarHBondContact O-N 3.04Å |
| 102 | K | 96.7 | Very high | 94.2 | Very high | 140 Ų | 140 | 100.4 Ų | 100.4 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.7 | -39.4 | 173.9 | -74.8 | -176.8 | 177.5 | -166 | 0 | 113.2 | K98 V100 F104 S106 | K98-K102 WeakPolarHBondContact O-CG 3.47Å; K98-K102 PolarHBondContact O-N 3Å; V100-K102 PolarHBondContact O-N 3.44Å; K102-F104 VanDerWaalsContact C-N 3.35Å; K102-S106 WeakPolarHBondContact O-CB 3.37Å; K102-S106 PolarHBondContact O-N 2.73Å |
| 103 | R | 96.2 | Very high | 94.4 | Very high | 168 Ų | 168 | 99.6 Ų | 99.6 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.5 | -38.1 | 176.6 | -72.6 | 176.7 | 173.5 | -169.9 | -4.8 | 111.4 | K99 V100 G101 C107 | K99-R103 WeakPolarHBondContact O-CG 3.36Å; K99-R103 PolarHBondContact O-N 3.49Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 2.89Å; V100-R103 VanDerWaalsContact O-N 3.1Å; G101-R103 VanDerWaalsContact C-N 3.29Å; G101-R103 PolarHBondContact O-N 3.15Å; R103-C107 VanDerWaalsContact O-CB 3.26Å; R103-C107 WeakPolarHBondContact O-CB 3.4Å; R103-C107 PolarHBondContact O-N 2.91Å |
| 104 | F | 97.2 | Very high | 94.6 | Very high | 128 Ų | 128 | 98.3 Ų | 98.3 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -49.4 | 174.9 | 177.5 | -100.4 | 0 | 0 | 0 | 111.2 | V100 G101 K102 S106 C107 K108 | V100-F104 PolarHBondContact O-N 3.1Å; G101-F104 WeakPolarHBondContact O-CB 3.42Å; G101-F104 PolarHBondContact O-N 3.26Å; G101-F104 VanDerWaalsContact O-N 3.11Å; K102-F104 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3Å; F104-C107 WeakPolarHBondContact O-CB 3.26Å; F104-C107 PolarHBondContact O-N 3.11Å; F104-K108 HydrophobicContact CE1-CD 4.46Å; F104-K108 WeakPolarHBondContact O-CB 3.38Å; F104-K108 PolarHBondContact O-N 3.41Å |
| 105 | E | 95.8 | Very high | 94.8 | Very high | 102 Ų | 102 | 97.2 Ų | 97.2 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 176.8 | -68.4 | -51.1 | 129.8 | 0 | 0 | 112.8 | G101 C107 K108 A109 | G101-E105 PolarHBondContact O-N 3.04Å; E105-C107 VanDerWaalsContact C-N 3.34Å; E105-C107 PolarHBondContact O-N 2.91Å; E105-K108 PolarHBondContact O-N 2.98Å; E105-A109 VanDerWaalsContact O-CB 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.38Å; E105-A109 PolarHBondContact O-N 2.99Å |
| 106 | S | 96.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 175.1 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | K102 F104 S110 | K102-S106 WeakPolarHBondContact O-CB 3.37Å; K102-S106 PolarHBondContact O-N 2.73Å; F104-S106 PolarHBondContact O-N 3Å; S106-S110 WeakPolarHBondContact O-CB 3.12Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 PolarHBondContact O-OG 2.9Å |
| 107 | C | 95.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 93 Ų | 93 | 51% | 0.514 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 173.8 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | R103 F104 E105 A109 S110 T111 | R103-C107 VanDerWaalsContact O-CB 3.26Å; R103-C107 WeakPolarHBondContact O-CB 3.4Å; R103-C107 PolarHBondContact O-N 2.91Å; F104-C107 WeakPolarHBondContact O-CB 3.26Å; F104-C107 PolarHBondContact O-N 3.11Å; E105-C107 VanDerWaalsContact C-N 3.34Å; E105-C107 PolarHBondContact O-N 2.91Å; C107-A109 PolarHBondContact O-N 3.13Å; C107-S110 PolarHBondContact O-N 2.75Å; C107-S110 VanDerWaalsContact O-N 3.15Å; C107-T111 PolarHBondContact O-N 2.84Å; C107-T111 PolarHBondContact O-OG1 3.32Å; C107-T111 VanDerWaalsContact O-OG1 3.06Å |
| 108 | K | 94.7 | Very high | 94.9 | Very high | 122 Ų | 122 | 92.1 Ų | 92.1 | 53% | 0.53 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57 | -46.4 | 178 | -174.6 | -179.7 | 178.2 | -177.2 | 0 | 112 | F104 E105 T111 R112 | F104-K108 HydrophobicContact CE1-CD 4.46Å; F104-K108 WeakPolarHBondContact O-CB 3.38Å; F104-K108 PolarHBondContact O-N 3.41Å; E105-K108 PolarHBondContact O-N 2.98Å; K108-T111 PolarHBondContact O-N 3.01Å; K108-R112 WeakPolarHBondContact O-CB 3.4Å; K108-R112 PolarHBondContact O-N 3Å |
| 109 | A | 93 | Very high | 94.8 | Very high | 52 Ų | 52 | 86 Ų | 86 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E105 C107 R112 Q113 | E105-A109 VanDerWaalsContact O-CB 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.38Å; E105-A109 PolarHBondContact O-N 2.99Å; C107-A109 PolarHBondContact O-N 3.13Å; A109-R112 PolarHBondContact O-N 3Å; A109-Q113 WeakPolarHBondContact O-CB 3.32Å; A109-Q113 VanDerWaalsContact O-CG 3.29Å; A109-Q113 WeakPolarHBondContact O-CG 3.46Å; A109-Q113 PolarHBondContact O-N 3.35Å |
| 110 | S | 95 | Very high | 94.6 | Very high | 71 Ų | 71 | 81.3 Ų | 81.3 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | S106 C107 Q113 L114 | S106-S110 WeakPolarHBondContact O-CB 3.12Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 PolarHBondContact O-OG 2.9Å; C107-S110 PolarHBondContact O-N 2.75Å; C107-S110 VanDerWaalsContact O-N 3.15Å; S110-Q113 PolarHBondContact O-N 2.97Å; S110-L114 WeakPolarHBondContact O-CB 3.08Å; S110-L114 PolarHBondContact O-N 3.21Å |
| 111 | T | 94.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 80.7 Ų | 80.7 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.4 | -58.5 | 0 | 0 | 0 | 0 | 111 | C107 K108 Q113 L114 E115 | C107-T111 PolarHBondContact O-N 2.84Å; C107-T111 PolarHBondContact O-OG1 3.32Å; C107-T111 VanDerWaalsContact O-OG1 3.06Å; K108-T111 PolarHBondContact O-N 3.01Å; T111-Q113 VanDerWaalsContact C-N 3.34Å; T111-Q113 PolarHBondContact O-N 2.75Å; T111-L114 WeakPolarHBondContact O-CB 3.44Å; T111-L114 PolarHBondContact O-N 3.19Å; T111-L114 VanDerWaalsContact O-N 3.17Å; T111-E115 WeakPolarHBondContact O-CG 3.36Å; T111-E115 PolarHBondContact O-N 3.12Å |
| 112 | R | 91.6 | Very high | 94.4 | Very high | 93 Ų | 93 | 81.3 Ų | 81.3 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 176 | 177.1 | -179.5 | 174.8 | 152.9 | 5 | 112 | K108 A109 L114 E115 V116 E137 | K108-R112 WeakPolarHBondContact O-CB 3.4Å; K108-R112 PolarHBondContact O-N 3Å; A109-R112 PolarHBondContact O-N 3Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 3.24Å; R112-E115 PolarHBondContact O-N 3.43Å; R112-V116 WeakPolarHBondContact O-CG2 3.5Å; R112-V116 PolarHBondContact O-N 3.07Å; R112-E137 IonicContact CZ-OE1 2.88Å; R112-E137 IonicContact NH1-OE1 3.48Å; R112-E137 PolarHBondContact NH1-OE1 3.22Å; R112-E137 IonicContact NH2-OE1 2.62Å |
| 113 | Q | 93.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 77.6 Ų | 77.6 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 177.2 | -75.4 | -64.6 | -21.4 | 0 | 0 | 111.5 | A109 S110 T111 V116 N117 | A109-Q113 WeakPolarHBondContact O-CB 3.32Å; A109-Q113 VanDerWaalsContact O-CG 3.29Å; A109-Q113 WeakPolarHBondContact O-CG 3.46Å; A109-Q113 PolarHBondContact O-N 3.35Å; S110-Q113 PolarHBondContact O-N 2.97Å; T111-Q113 VanDerWaalsContact C-N 3.34Å; T111-Q113 PolarHBondContact O-N 2.75Å; Q113-V116 PolarHBondContact O-N 2.84Å; Q113-N117 WeakPolarHBondContact O-CB 3.26Å; Q113-N117 PolarHBondContact O-N 3Å; Q113-N117 PolarHBondContact O-ND2 3.33Å |
| 114 | L | 95.1 | Very high | 93.8 | Very high | 104 Ų | 104 | 74.4 Ų | 74.4 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.9 | -179.1 | 61.9 | 0 | 0 | 0 | 111.6 | S110 T111 R112 V116 N117 L118 | S110-L114 WeakPolarHBondContact O-CB 3.08Å; S110-L114 PolarHBondContact O-N 3.21Å; T111-L114 WeakPolarHBondContact O-CB 3.44Å; T111-L114 PolarHBondContact O-N 3.19Å; T111-L114 VanDerWaalsContact O-N 3.17Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 3.24Å; L114-V116 PolarHBondContact O-N 3.17Å; L114-N117 PolarHBondContact O-N 3.36Å; L114-L118 HydrophobicContact CD1-CD1 4.38Å; L114-L118 HydrophobicContact CD1-CG 4.28Å; L114-L118 HydrophobicContact CG-CD1 4.15Å; L114-L118 HydrophobicContact CG-CG 4.48Å; L114-L118 WeakPolarHBondContact O-CB 3.18Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.43Å; L114-L118 PolarHBondContact O-N 3.47Å |
| 115 | E | 94.1 | Very high | 93.6 | Very high | 84 Ų | 84 | 73 Ų | 73 | 39% | 0.393 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 176.7 | -73.5 | 176.2 | -172.1 | 0 | 0 | 112 | T111 R112 N117 L118 I119 | T111-E115 WeakPolarHBondContact O-CG 3.36Å; T111-E115 PolarHBondContact O-N 3.12Å; R112-E115 PolarHBondContact O-N 3.43Å; E115-N117 PolarHBondContact O-N 2.96Å; E115-L118 PolarHBondContact O-N 2.83Å; E115-I119 WeakPolarHBondContact O-CD1 3.29Å; E115-I119 VanDerWaalsContact O-CG1 3.26Å; E115-I119 WeakPolarHBondContact O-CG1 3.39Å; E115-I119 PolarHBondContact O-N 3.3Å; E115-I119 VanDerWaalsContact O-N 3.1Å |
| 116 | V | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.006 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 176.3 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | R112 Q113 L114 L118 I119 L120 A141 L142 E145 | R112-V116 WeakPolarHBondContact O-CG2 3.5Å; R112-V116 PolarHBondContact O-N 3.07Å; Q113-V116 PolarHBondContact O-N 2.84Å; L114-V116 PolarHBondContact O-N 3.17Å; V116-L118 PolarHBondContact O-N 2.94Å; V116-I119 PolarHBondContact O-N 3.47Å; V116-L120 HydrophobicContact CG1-CD1 3.92Å; V116-L120 HydrophobicContact CG1-CG 4.4Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.14Å; V116-A141 HydrophobicContact CG2-CB 3.69Å; V116-L142 HydrophobicContact CB-CD2 4.5Å; V116-L142 HydrophobicContact CG1-CD2 3.9Å; V116-E145 HydrophobicContact CG1-CB 4.41Å; V116-E145 HydrophobicContact CG1-CG 4.42Å |
| 117 | N | 94.7 | Very high | 93.1 | Very high | 82 Ų | 82 | 75.3 Ų | 75.3 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | -179.8 | -78.9 | -54.5 | 0 | 0 | 0 | 112.9 | Q113 L114 E115 I119 L120 N121 | Q113-N117 WeakPolarHBondContact O-CB 3.26Å; Q113-N117 PolarHBondContact O-N 3Å; Q113-N117 PolarHBondContact O-ND2 3.33Å; L114-N117 PolarHBondContact O-N 3.36Å; E115-N117 PolarHBondContact O-N 2.96Å; N117-I119 VanDerWaalsContact C-N 3.33Å; N117-L120 PolarHBondContact O-N 2.86Å; N117-N121 VanDerWaalsContact O-CB 3.29Å; N117-N121 WeakPolarHBondContact O-CB 3.46Å; N117-N121 PolarHBondContact O-N 2.85Å |
| 118 | L | 94 | Very high | 92.6 | Very high | 95 Ų | 95 | 75.2 Ų | 75.2 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.3 | -73.1 | 172.5 | 0 | 0 | 0 | 111.1 | L114 E115 V116 N121 D122 | L114-L118 HydrophobicContact CD1-CD1 4.38Å; L114-L118 HydrophobicContact CD1-CG 4.28Å; L114-L118 HydrophobicContact CG-CD1 4.15Å; L114-L118 HydrophobicContact CG-CG 4.48Å; L114-L118 WeakPolarHBondContact O-CB 3.18Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.43Å; L114-L118 PolarHBondContact O-N 3.47Å; E115-L118 PolarHBondContact O-N 2.83Å; V116-L118 PolarHBondContact O-N 2.94Å; L118-N121 PolarHBondContact O-N 2.94Å; L118-D122 PolarHBondContact O-N 3.4Å |
| 119 | I | 93.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 75.1 Ų | 75.1 | 8% | 0.077 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.9 | -44 | 179.3 | -62.9 | 164.8 | 0 | 0 | 0 | 111.3 | E115 V116 N117 N121 D122 I123 L134 I138 L142 | E115-I119 WeakPolarHBondContact O-CD1 3.29Å; E115-I119 VanDerWaalsContact O-CG1 3.26Å; E115-I119 WeakPolarHBondContact O-CG1 3.39Å; E115-I119 PolarHBondContact O-N 3.3Å; E115-I119 VanDerWaalsContact O-N 3.1Å; V116-I119 PolarHBondContact O-N 3.47Å; N117-I119 VanDerWaalsContact C-N 3.33Å; I119-N121 VanDerWaalsContact C-N 3.27Å; I119-N121 PolarHBondContact O-N 3.39Å; I119-D122 PolarHBondContact O-N 2.84Å; I119-I123 HydrophobicContact CG2-CD1 3.88Å; I119-I123 HydrophobicContact CG2-CG1 4.4Å; I119-I123 VanDerWaalsContact O-CG1 3.3Å; I119-I123 WeakPolarHBondContact O-CG1 3.22Å; I119-I123 PolarHBondContact O-N 3.41Å; I119-L134 HydrophobicContact CD1-CD2 3.77Å; I119-L134 HydrophobicContact CG2-CD1 4.49Å; I119-I138 HydrophobicContact CD1-CG2 3.53Å; I119-L142 HydrophobicContact CB-CD1 4.35Å; I119-L142 HydrophobicContact CB-CD2 4.01Å; I119-L142 HydrophobicContact CD1-CD1 4.38Å; I119-L142 HydrophobicContact CG2-CD1 3.66Å; I119-L142 HydrophobicContact CG2-CD2 3.9Å; I119-L142 HydrophobicContact CG2-CG 4.45Å |
| 120 | L | 92.2 | Very high | 91.2 | Very high | 31 Ų | 31 | 75.9 Ų | 75.9 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.9 | -40 | 175.4 | -71.5 | 173.2 | 0 | 0 | 0 | 111.8 | V116 N117 I123 S124 L142 E145 V146 | V116-L120 HydrophobicContact CG1-CD1 3.92Å; V116-L120 HydrophobicContact CG1-CG 4.4Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.14Å; N117-L120 PolarHBondContact O-N 2.86Å; L120-I123 PolarHBondContact O-N 2.76Å; L120-S124 WeakPolarHBondContact O-CB 3.24Å; L120-S124 PolarHBondContact O-N 3.37Å; L120-S124 PolarHBondContact O-OG 3.35Å; L120-L142 HydrophobicContact CD1-CD2 4.39Å; L120-L142 HydrophobicContact CD2-CD2 3.6Å; L120-L142 HydrophobicContact CG-CD2 3.55Å; L120-E145 HydrophobicContact CD1-CB 3.9Å; L120-E145 HydrophobicContact CD1-CG 3.75Å; L120-V146 HydrophobicContact CD2-CG2 3.74Å |
| 121 | N | 93.8 | Very high | 90.6 | Very high | 77 Ų | 77 | 76.4 Ų | 76.4 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 175.6 | -173.8 | 42.9 | 0 | 0 | 0 | 111.5 | N117 L118 I119 I123 S124 L125 | N117-N121 VanDerWaalsContact O-CB 3.29Å; N117-N121 WeakPolarHBondContact O-CB 3.46Å; N117-N121 PolarHBondContact O-N 2.85Å; L118-N121 PolarHBondContact O-N 2.94Å; I119-N121 VanDerWaalsContact C-N 3.27Å; I119-N121 PolarHBondContact O-N 3.39Å; N121-I123 VanDerWaalsContact C-N 3.35Å; N121-I123 PolarHBondContact O-N 2.86Å; N121-S124 PolarHBondContact O-N 3.02Å; N121-L125 WeakPolarHBondContact O-CB 3.44Å; N121-L125 VanDerWaalsContact O-CG 3.31Å; N121-L125 WeakPolarHBondContact O-CG 3.4Å; N121-L125 PolarHBondContact O-N 2.88Å |
| 122 | D | 92.4 | Very high | 90.1 | Very high | 46 Ų | 46 | 80.4 Ų | 80.4 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 175.5 | -75.1 | -24.2 | 0 | 0 | 0 | 113 | L118 I119 L125 G126 R127 R128 | L118-D122 PolarHBondContact O-N 3.4Å; I119-D122 PolarHBondContact O-N 2.84Å; D122-L125 PolarHBondContact O-N 3.42Å; D122-G126 PolarHBondContact O-N 2.89Å; D122-R127 HydrophobicContact CB-CB 4.28Å; D122-R127 PolarHBondContact O-N 3.15Å; D122-R127 IonicContact OD1-CZ 3.95Å; D122-R127 IonicContact OD1-NE 2.73Å; D122-R127 PolarHBondContact OD1-NE 3.4Å; D122-R127 IonicContact OD1-NH2 3.35Å; D122-R127 PolarHBondContact OD1-NH2 3.06Å; D122-R128 HydrophobicContact CB-CB 4.03Å; D122-R128 PolarHBondContact O-N 2.91Å |
| 123 | I | 91 | Very high | 89.9 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 173.7 | -67.7 | 165.6 | 0 | 0 | 0 | 109.9 | I119 L120 N121 L125 G126 R128 L131 | I119-I123 HydrophobicContact CG2-CD1 3.88Å; I119-I123 HydrophobicContact CG2-CG1 4.4Å; I119-I123 VanDerWaalsContact O-CG1 3.3Å; I119-I123 WeakPolarHBondContact O-CG1 3.22Å; I119-I123 PolarHBondContact O-N 3.41Å; L120-I123 PolarHBondContact O-N 2.76Å; N121-I123 VanDerWaalsContact C-N 3.35Å; N121-I123 PolarHBondContact O-N 2.86Å; I123-L125 PolarHBondContact O-N 3.43Å; I123-G126 PolarHBondContact O-N 3.37Å; I123-R128 HydrophobicContact CG1-CB 4.33Å; I123-L131 HydrophobicContact CD1-CD1 4.35Å; I123-L131 HydrophobicContact CD1-CD2 4.23Å; I123-L131 HydrophobicContact CD1-CG 4.5Å; I123-L131 HydrophobicContact CG1-CD1 4.43Å |
| 124 | S | 90 | Very high | 89.7 | Confident | 100 Ų | 100 | 78.7 Ų | 78.7 | 70% | 0.699 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.9 | -32.6 | -179 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | L120 N121 G126 | L120-S124 WeakPolarHBondContact O-CB 3.24Å; L120-S124 PolarHBondContact O-N 3.37Å; L120-S124 PolarHBondContact O-OG 3.35Å; N121-S124 PolarHBondContact O-N 3.02Å; S124-G126 VanDerWaalsContact C-N 3.32Å |
| 125 | L | 92.8 | Very high | 89.4 | Confident | 100 Ų | 100 | 77 Ų | 77 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 1.5 | 176.4 | -65.9 | 171.7 | 0 | 0 | 0 | 113.3 | N121 D122 I123 R127 | N121-L125 WeakPolarHBondContact O-CB 3.44Å; N121-L125 VanDerWaalsContact O-CG 3.31Å; N121-L125 WeakPolarHBondContact O-CG 3.4Å; N121-L125 PolarHBondContact O-N 2.88Å; D122-L125 PolarHBondContact O-N 3.42Å; I123-L125 PolarHBondContact O-N 3.43Å; L125-R127 HydrophobicContact CB-CG 4.19Å; L125-R127 VanDerWaalsContact CD1-CZ 3.43Å; L125-R127 PolarHBondContact O-N 3.26Å |
| 126 | G | 90.9 | Very high | 89.1 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 66% | 0.66 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 14.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D122 I123 S124 | D122-G126 PolarHBondContact O-N 2.89Å; I123-G126 PolarHBondContact O-N 3.37Å; S124-G126 VanDerWaalsContact C-N 3.32Å |
| 127 | R | 90.1 | Very high | 88.9 | Confident | 158 Ų | 158 | 84 Ų | 84 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | trans | -77.1 | -26.2 | 179.1 | -68.1 | -163.8 | -68.8 | -124 | 1.6 | 112.9 | D122 L125 | D122-R127 HydrophobicContact CB-CB 4.28Å; D122-R127 PolarHBondContact O-N 3.15Å; D122-R127 IonicContact OD1-CZ 3.95Å; D122-R127 IonicContact OD1-NE 2.73Å; D122-R127 PolarHBondContact OD1-NE 3.4Å; D122-R127 IonicContact OD1-NH2 3.35Å; D122-R127 PolarHBondContact OD1-NH2 3.06Å; L125-R127 HydrophobicContact CB-CG 4.19Å; L125-R127 VanDerWaalsContact CD1-CZ 3.43Å; L125-R127 PolarHBondContact O-N 3.26Å | ||
| 128 | R | 84.8 | Confident | 88.7 | Confident | 73 Ų | 73 | 81.3 Ų | 81.3 | 28% | 0.275 | 45% | 0.453 | S | S | . | . | trans | -115.5 | 116.1 | -179 | -168.7 | 173.1 | -166.4 | 145.3 | 6.7 | 110.9 | D122 I123 N130 L134 | D122-R128 HydrophobicContact CB-CB 4.03Å; D122-R128 PolarHBondContact O-N 2.91Å; I123-R128 HydrophobicContact CG1-CB 4.33Å; R128-N130 PolarHBondContact NE-O 3.03Å; R128-L134 VanDerWaalsContact CZ-CD2 3.47Å | ||
| 129 | S | 77.3 | Confident | 88.5 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 85% | 0.846 | 44% | 0.435 | S | S | * | . | trans | -105.7 | -29.5 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 130 | N | 81 | Confident | 88.5 | Confident | 67 Ų | 67 | 80.8 Ų | 80.8 | 36% | 0.358 | 46% | 0.456 | S | S | . | . | trans | -98.7 | 121 | 178.2 | -165.7 | -20 | 0 | 0 | 0 | 111.2 | R128 D132 D133 | R128-N130 PolarHBondContact NE-O 3.03Å; N130-D132 WeakPolarHBondContact OD1-CB 3.44Å; N130-D132 PolarHBondContact OD1-N 2.84Å; N130-D133 PolarHBondContact ND2-OD2 2.91Å | ||
| 131 | L | 82.5 | Confident | 88.5 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 43% | 0.429 | 45% | 0.451 | S | S | . | . | trans | -107.4 | -9 | 175.7 | -84.6 | 68.9 | 0 | 0 | 0 | 112.4 | I123 D133 L134 | I123-L131 HydrophobicContact CD1-CD1 4.35Å; I123-L131 HydrophobicContact CD1-CD2 4.23Å; I123-L131 HydrophobicContact CD1-CG 4.5Å; I123-L131 HydrophobicContact CG1-CD1 4.43Å; L131-D133 VanDerWaalsContact C-N 3.26Å; L131-D133 PolarHBondContact O-N 3.17Å; L131-L134 HydrophobicContact CB-CD1 4.06Å; L131-L134 HydrophobicContact CG-CD1 3.94Å; L131-L134 VanDerWaalsContact O-CB 3.32Å; L131-L134 WeakPolarHBondContact O-CB 3.44Å; L131-L134 PolarHBondContact O-N 2.9Å | ||
| 132 | D | 84.7 | Confident | 88.4 | Confident | 150 Ų | 150 | 76.4 Ų | 76.4 | 80% | 0.802 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -25.2 | -177.8 | -60.6 | -41.4 | 0 | 0 | 0 | 112 | N130 L134 | N130-D132 WeakPolarHBondContact OD1-CB 3.44Å; N130-D132 PolarHBondContact OD1-N 2.84Å; D132-L134 PolarHBondContact O-N 3.29Å |
| 133 | D | 87.3 | Confident | 88.5 | Confident | 123 Ų | 123 | 81.4 Ų | 81.4 | 66% | 0.658 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -1.1 | 176.3 | -57.8 | -43.3 | 0 | 0 | 0 | 113.5 | N130 L131 | N130-D133 PolarHBondContact ND2-OD2 2.91Å; L131-D133 VanDerWaalsContact C-N 3.26Å; L131-D133 PolarHBondContact O-N 3.17Å |
| 134 | L | 87.6 | Confident | 88.6 | Confident | 18 Ų | 18 | 81.5 Ų | 81.5 | 9% | 0.094 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -80.2 | 140.4 | -176.3 | -74.9 | 167.6 | 0 | 0 | 0 | 112.1 | I119 R128 L131 D132 I138 A139 L142 | I119-L134 HydrophobicContact CD1-CD2 3.77Å; I119-L134 HydrophobicContact CG2-CD1 4.49Å; R128-L134 VanDerWaalsContact CZ-CD2 3.47Å; L131-L134 HydrophobicContact CB-CD1 4.06Å; L131-L134 HydrophobicContact CG-CD1 3.94Å; L131-L134 VanDerWaalsContact O-CB 3.32Å; L131-L134 WeakPolarHBondContact O-CB 3.44Å; L131-L134 PolarHBondContact O-N 2.9Å; D132-L134 PolarHBondContact O-N 3.29Å; L134-I138 HydrophobicContact CD2-CG2 4.26Å; L134-A139 HydrophobicContact CB-CB 4.4Å; L134-L142 HydrophobicContact CD1-CD1 3.59Å |
| 135 | P | 89 | Confident | 88.8 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | trans | -53.4 | 138.4 | 167 | -23.4 | 32.9 | 0 | 0 | 0 | 110.5 | E137 I138 A139 | P135-E137 PolarHBondContact O-N 3.4Å; P135-E137 VanDerWaalsContact O-N 3.14Å; P135-I138 HydrophobicContact CB-CD1 4.31Å; P135-I138 HydrophobicContact CB-CG1 4.25Å; P135-I138 HydrophobicContact CG-CD1 3.91Å; P135-I138 HydrophobicContact CG-CG1 4.39Å; P135-I138 PolarHBondContact O-N 3.15Å; P135-A139 PolarHBondContact O-N 3.48Å | ||
| 136 | P | 88.2 | Confident | 88.8 | Confident | 109 Ų | 109 | 77.9 Ų | 77.9 | 71% | 0.708 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.5 | -35.2 | -173.9 | 22.2 | -33.2 | 0 | 0 | 0 | 112.1 | A139 V140 | P136-A139 PolarHBondContact O-N 3.21Å; P136-V140 WeakPolarHBondContact O-CG2 3.48Å; P136-V140 PolarHBondContact O-N 3.39Å |
| 137 | E | 89.2 | Confident | 89.1 | Confident | 124 Ų | 124 | 79 Ų | 79 | 58% | 0.579 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | 178.9 | -163.6 | 179.2 | -179 | 0 | 0 | 112.9 | R112 P135 V140 A141 | R112-E137 IonicContact CZ-OE1 2.88Å; R112-E137 IonicContact NH1-OE1 3.48Å; R112-E137 PolarHBondContact NH1-OE1 3.22Å; R112-E137 IonicContact NH2-OE1 2.62Å; P135-E137 PolarHBondContact O-N 3.4Å; P135-E137 VanDerWaalsContact O-N 3.14Å; E137-V140 PolarHBondContact O-N 2.94Å; E137-A141 PolarHBondContact O-N 3.49Å; E137-A141 VanDerWaalsContact O-N 3.15Å |
| 138 | I | 91.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 76.2 Ų | 76.2 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.1 | -41.6 | 175.9 | -61.2 | -178.2 | 0 | 0 | 0 | 110 | I119 L134 P135 V140 A141 L142 | I119-I138 HydrophobicContact CD1-CG2 3.53Å; L134-I138 HydrophobicContact CD2-CG2 4.26Å; P135-I138 HydrophobicContact CB-CD1 4.31Å; P135-I138 HydrophobicContact CB-CG1 4.25Å; P135-I138 HydrophobicContact CG-CD1 3.91Å; P135-I138 HydrophobicContact CG-CG1 4.39Å; P135-I138 PolarHBondContact O-N 3.15Å; I138-V140 VanDerWaalsContact C-N 3.29Å; I138-V140 PolarHBondContact O-N 2.95Å; I138-A141 PolarHBondContact O-N 2.68Å; I138-A141 VanDerWaalsContact O-N 3.15Å; I138-L142 HydrophobicContact CG2-CD1 3.88Å; I138-L142 HydrophobicContact CG2-CG 4.22Å; I138-L142 WeakPolarHBondContact O-CG 3.49Å; I138-L142 PolarHBondContact O-N 2.8Å |
| 139 | A | 90.7 | Very high | 89.8 | Confident | 15 Ų | 15 | 78 Ų | 78 | 12% | 0.124 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L134 P135 P136 R143 | L134-A139 HydrophobicContact CB-CB 4.4Å; P135-A139 PolarHBondContact O-N 3.48Å; P136-A139 PolarHBondContact O-N 3.21Å; A139-R143 WeakPolarHBondContact O-CG 3.39Å; A139-R143 PolarHBondContact O-N 3.24Å; A139-R143 VanDerWaalsContact O-N 3.1Å; A139-R143 PolarHBondContact O-NE 3.38Å |
| 140 | V | 91.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 78.3 Ų | 78.3 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 173.1 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | P136 E137 I138 L142 R143 S144 | P136-V140 WeakPolarHBondContact O-CG2 3.48Å; P136-V140 PolarHBondContact O-N 3.39Å; E137-V140 PolarHBondContact O-N 2.94Å; I138-V140 VanDerWaalsContact C-N 3.29Å; I138-V140 PolarHBondContact O-N 2.95Å; V140-L142 PolarHBondContact O-N 3.32Å; V140-R143 PolarHBondContact O-N 3Å; V140-S144 PolarHBondContact O-N 3.03Å; V140-S144 PolarHBondContact O-OG 3.26Å |
| 141 | A | 92.2 | Very high | 91.5 | Very high | 7 Ų | 7 | 78 Ų | 78 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V116 E137 I138 S144 E145 | V116-A141 HydrophobicContact CG2-CB 3.69Å; E137-A141 PolarHBondContact O-N 3.49Å; E137-A141 VanDerWaalsContact O-N 3.15Å; I138-A141 PolarHBondContact O-N 2.68Å; I138-A141 VanDerWaalsContact O-N 3.15Å; A141-S144 WeakPolarHBondContact CA-OG 3.43Å; A141-S144 PolarHBondContact O-N 2.74Å; A141-S144 PolarHBondContact O-OG 3.02Å; A141-E145 PolarHBondContact O-N 3.4Å |
| 142 | L | 92.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 76.7 Ų | 76.7 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.2 | -73.4 | 166.2 | 0 | 0 | 0 | 111.6 | V116 I119 L120 L134 I138 V140 S144 E145 V146 | V116-L142 HydrophobicContact CB-CD2 4.5Å; V116-L142 HydrophobicContact CG1-CD2 3.9Å; I119-L142 HydrophobicContact CB-CD1 4.35Å; I119-L142 HydrophobicContact CB-CD2 4.01Å; I119-L142 HydrophobicContact CD1-CD1 4.38Å; I119-L142 HydrophobicContact CG2-CD1 3.66Å; I119-L142 HydrophobicContact CG2-CD2 3.9Å; I119-L142 HydrophobicContact CG2-CG 4.45Å; L120-L142 HydrophobicContact CD1-CD2 4.39Å; L120-L142 HydrophobicContact CD2-CD2 3.6Å; L120-L142 HydrophobicContact CG-CD2 3.55Å; L134-L142 HydrophobicContact CD1-CD1 3.59Å; I138-L142 HydrophobicContact CG2-CD1 3.88Å; I138-L142 HydrophobicContact CG2-CG 4.22Å; I138-L142 WeakPolarHBondContact O-CG 3.49Å; I138-L142 PolarHBondContact O-N 2.8Å; V140-L142 PolarHBondContact O-N 3.32Å; L142-S144 PolarHBondContact O-N 3.24Å; L142-E145 PolarHBondContact O-N 2.8Å; L142-V146 WeakPolarHBondContact O-CG2 3.45Å; L142-V146 PolarHBondContact O-N 3.41Å |
| 143 | R | 92.9 | Very high | 92.7 | Very high | 151 Ų | 151 | 74.1 Ų | 74.1 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.6 | -47 | 175.8 | -81.1 | -176.4 | -74.8 | -93.8 | -0.1 | 111.5 | A139 V140 E145 V146 E147 | A139-R143 WeakPolarHBondContact O-CG 3.39Å; A139-R143 PolarHBondContact O-N 3.24Å; A139-R143 VanDerWaalsContact O-N 3.1Å; A139-R143 PolarHBondContact O-NE 3.38Å; V140-R143 PolarHBondContact O-N 3Å; R143-E145 VanDerWaalsContact C-N 3.31Å; R143-E145 PolarHBondContact O-N 2.95Å; R143-V146 PolarHBondContact O-N 3Å; R143-E147 WeakPolarHBondContact O-CB 3.2Å; R143-E147 VanDerWaalsContact O-CG 3.23Å; R143-E147 WeakPolarHBondContact O-CG 3.37Å; R143-E147 PolarHBondContact O-N 3.33Å |
| 144 | S | 94.8 | Very high | 93.2 | Very high | 64 Ų | 64 | 75 Ų | 75 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | V140 A141 L142 E147 L148 | V140-S144 PolarHBondContact O-N 3.03Å; V140-S144 PolarHBondContact O-OG 3.26Å; A141-S144 WeakPolarHBondContact CA-OG 3.43Å; A141-S144 PolarHBondContact O-N 2.74Å; A141-S144 PolarHBondContact O-OG 3.02Å; L142-S144 PolarHBondContact O-N 3.24Å; S144-E147 PolarHBondContact O-N 3.17Å; S144-L148 WeakPolarHBondContact O-CB 3.31Å; S144-L148 PolarHBondContact O-N 3.05Å |
| 145 | E | 93.4 | Very high | 93.6 | Very high | 49 Ų | 49 | 80.5 Ų | 80.5 | 23% | 0.229 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.2 | -41.4 | -179.9 | -143.8 | 66.9 | -158.2 | 0 | 0 | 111.9 | V116 L120 A141 L142 R143 L148 L149 | V116-E145 HydrophobicContact CG1-CB 4.41Å; V116-E145 HydrophobicContact CG1-CG 4.42Å; L120-E145 HydrophobicContact CD1-CB 3.9Å; L120-E145 HydrophobicContact CD1-CG 3.75Å; A141-E145 PolarHBondContact O-N 3.4Å; L142-E145 PolarHBondContact O-N 2.8Å; R143-E145 VanDerWaalsContact C-N 3.31Å; R143-E145 PolarHBondContact O-N 2.95Å; E145-L148 PolarHBondContact O-N 3.47Å; E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 2.81Å |
| 146 | V | 93.4 | Very high | 93.9 | Very high | 75 Ų | 75 | 85.5 Ų | 85.5 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 176 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L120 L142 R143 L149 R150 | L120-V146 HydrophobicContact CD2-CG2 3.74Å; L142-V146 WeakPolarHBondContact O-CG2 3.45Å; L142-V146 PolarHBondContact O-N 3.41Å; R143-V146 PolarHBondContact O-N 3Å; V146-L149 PolarHBondContact O-N 3.31Å; V146-R150 WeakPolarHBondContact O-CB 3.36Å; V146-R150 PolarHBondContact O-N 3.13Å |
| 147 | E | 95.9 | Very high | 94.3 | Very high | 87 Ų | 87 | 84.8 Ų | 84.8 | 41% | 0.407 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.6 | -76.9 | -64.4 | 153.9 | 0 | 0 | 112.1 | R143 S144 R150 S151 | R143-E147 WeakPolarHBondContact O-CB 3.2Å; R143-E147 VanDerWaalsContact O-CG 3.23Å; R143-E147 WeakPolarHBondContact O-CG 3.37Å; R143-E147 PolarHBondContact O-N 3.33Å; S144-E147 PolarHBondContact O-N 3.17Å; E147-R150 WeakPolarHBondContact O-CB 3.38Å; E147-R150 PolarHBondContact O-N 3.41Å; E147-R150 IonicContact OE1-CZ 3.96Å; E147-R150 IonicContact OE1-NE 2.7Å; E147-R150 IonicContact OE1-NH1 3.65Å; E147-R150 PolarHBondContact OE1-NH1 2.93Å; E147-R150 IonicContact OE1-NH2 2.86Å; E147-R150 PolarHBondContact OE1-NH2 3.42Å; E147-R150 VanDerWaalsContact OE1-NH2 3.17Å; E147-R150 IonicContact OE2-CZ 3.1Å; E147-R150 IonicContact OE2-NE 2.85Å; E147-R150 PolarHBondContact OE2-NE 2.81Å; E147-R150 IonicContact OE2-NH1 2.82Å; E147-R150 PolarHBondContact OE2-NH1 3.29Å; E147-R150 IonicContact OE2-NH2 3.42Å; E147-R150 PolarHBondContact OE2-NH2 2.97Å; E147-S151 PolarHBondContact O-N 2.88Å |
| 148 | L | 95.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 83.8 Ų | 83.8 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 174.2 | -176.4 | 64.7 | 0 | 0 | 0 | 111.4 | S144 E145 R150 S151 S152 | S144-L148 WeakPolarHBondContact O-CB 3.31Å; S144-L148 PolarHBondContact O-N 3.05Å; E145-L148 PolarHBondContact O-N 3.47Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.5Å; L148-S151 PolarHBondContact O-N 3.36Å; L148-S152 PolarHBondContact O-N 3.43Å |
| 149 | L | 94.2 | Very high | 94.7 | Very high | 109 Ų | 109 | 85.5 Ų | 85.5 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 177.1 | -177.4 | 60.7 | 0 | 0 | 0 | 111.4 | E145 V146 S152 I153 | E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 2.81Å; V146-L149 PolarHBondContact O-N 3.31Å; L149-S152 PolarHBondContact O-N 3.39Å; L149-I153 HydrophobicContact CD1-CD1 4.27Å; L149-I153 HydrophobicContact CD1-CG1 4.5Å; L149-I153 HydrophobicContact CG-CD1 3.99Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.32Å; L149-I153 PolarHBondContact O-N 3.48Å |
| 150 | R | 96 | Very high | 94.8 | Very high | 128 Ų | 128 | 90.3 Ų | 90.3 | 48% | 0.483 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 175.9 | -174 | 178.2 | 77.9 | -169.1 | 8.1 | 111.4 | V146 E147 L148 S152 I153 Y154 | V146-R150 WeakPolarHBondContact O-CB 3.36Å; V146-R150 PolarHBondContact O-N 3.13Å; E147-R150 WeakPolarHBondContact O-CB 3.38Å; E147-R150 PolarHBondContact O-N 3.41Å; E147-R150 IonicContact OE1-CZ 3.96Å; E147-R150 IonicContact OE1-NE 2.7Å; E147-R150 IonicContact OE1-NH1 3.65Å; E147-R150 PolarHBondContact OE1-NH1 2.93Å; E147-R150 IonicContact OE1-NH2 2.86Å; E147-R150 PolarHBondContact OE1-NH2 3.42Å; E147-R150 VanDerWaalsContact OE1-NH2 3.17Å; E147-R150 IonicContact OE2-CZ 3.1Å; E147-R150 IonicContact OE2-NE 2.85Å; E147-R150 PolarHBondContact OE2-NE 2.81Å; E147-R150 IonicContact OE2-NH1 2.82Å; E147-R150 PolarHBondContact OE2-NH1 3.29Å; E147-R150 IonicContact OE2-NH2 3.42Å; E147-R150 PolarHBondContact OE2-NH2 2.97Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.5Å; R150-S152 PolarHBondContact O-N 2.92Å; R150-I153 PolarHBondContact O-N 3.5Å; R150-Y154 HydrophobicContact CG-CD2 3.86Å; R150-Y154 HydrophobicContact CG-CE2 3.65Å; R150-Y154 VanDerWaalsContact O-CD2 3.24Å; R150-Y154 WeakPolarHBondContact O-CD2 3.16Å; R150-Y154 PolarHBondContact O-N 3.48Å |
| 151 | S | 97.5 | Very high | 94.9 | Very high | 60 Ų | 60 | 90.4 Ų | 90.4 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 177.6 | -165.9 | 0 | 0 | 0 | 0 | 111.7 | E147 L148 I153 Y154 E155 | E147-S151 PolarHBondContact O-N 2.88Å; L148-S151 PolarHBondContact O-N 3.36Å; S151-I153 VanDerWaalsContact C-N 3.31Å; S151-I153 PolarHBondContact O-N 3.31Å; S151-Y154 PolarHBondContact O-N 3.1Å; S151-E155 PolarHBondContact O-N 3.09Å |
| 152 | S | 96.9 | Very high | 94.8 | Very high | 55 Ų | 55 | 93.6 Ų | 93.6 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | L148 L149 R150 E155 R156 | L148-S152 PolarHBondContact O-N 3.43Å; L149-S152 PolarHBondContact O-N 3.39Å; R150-S152 PolarHBondContact O-N 2.92Å; S152-E155 PolarHBondContact O-N 2.95Å; S152-R156 WeakPolarHBondContact O-CB 3.32Å; S152-R156 VanDerWaalsContact O-CG 3.27Å; S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 3.37Å |
| 153 | I | 96.8 | Very high | 94.6 | Very high | 97 Ų | 97 | 95.7 Ų | 95.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.3 | -69.4 | 165.3 | 0 | 0 | 0 | 111 | L149 R150 S151 R156 L157 | L149-I153 HydrophobicContact CD1-CD1 4.27Å; L149-I153 HydrophobicContact CD1-CG1 4.5Å; L149-I153 HydrophobicContact CG-CD1 3.99Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.32Å; L149-I153 PolarHBondContact O-N 3.48Å; R150-I153 PolarHBondContact O-N 3.5Å; S151-I153 VanDerWaalsContact C-N 3.31Å; S151-I153 PolarHBondContact O-N 3.31Å; I153-R156 PolarHBondContact O-N 3.17Å; I153-L157 WeakPolarHBondContact O-CB 3.49Å; I153-L157 PolarHBondContact O-N 3.47Å |
| 154 | Y | 96.6 | Very high | 94.3 | Very high | 142 Ų | 142 | 91.2 Ų | 91.2 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 178 | -86.5 | -66.9 | 0 | 0 | 0 | 112.7 | R150 S151 L157 N158 | R150-Y154 HydrophobicContact CG-CD2 3.86Å; R150-Y154 HydrophobicContact CG-CE2 3.65Å; R150-Y154 VanDerWaalsContact O-CD2 3.24Å; R150-Y154 WeakPolarHBondContact O-CD2 3.16Å; R150-Y154 PolarHBondContact O-N 3.48Å; S151-Y154 PolarHBondContact O-N 3.1Å; Y154-L157 PolarHBondContact O-N 3.06Å; Y154-N158 PolarHBondContact O-N 3.2Å |
| 155 | E | 96 | Very high | 93.8 | Very high | 133 Ų | 133 | 91 Ų | 91 | 62% | 0.621 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 176.2 | -74.4 | -176.5 | 178.8 | 0 | 0 | 111.8 | S151 S152 L157 N158 S159 | S151-E155 PolarHBondContact O-N 3.09Å; S152-E155 PolarHBondContact O-N 2.95Å; E155-L157 VanDerWaalsContact C-N 3.34Å; E155-L157 PolarHBondContact O-N 2.86Å; E155-N158 PolarHBondContact O-N 3.1Å; E155-S159 PolarHBondContact O-N 3.29Å |
| 156 | R | 96.3 | Very high | 93.1 | Very high | 171 Ų | 171 | 91 Ų | 91 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 178 | -69.5 | -175.1 | 102.2 | -133.6 | 1.1 | 111.4 | S152 I153 N158 S159 L160 | S152-R156 WeakPolarHBondContact O-CB 3.32Å; S152-R156 VanDerWaalsContact O-CG 3.27Å; S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 3.37Å; I153-R156 PolarHBondContact O-N 3.17Å; R156-N158 PolarHBondContact O-N 3.21Å; R156-S159 PolarHBondContact O-N 3.23Å; R156-S159 PolarHBondContact O-OG 3.46Å; R156-L160 WeakPolarHBondContact O-CG 3.29Å; R156-L160 PolarHBondContact O-N 3.39Å |
| 157 | L | 96.4 | Very high | 92.3 | Very high | 94 Ų | 94 | 90.1 Ų | 90.1 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 177 | -170.1 | 149.6 | 0 | 0 | 0 | 111.5 | I153 Y154 E155 L160 T161 | I153-L157 WeakPolarHBondContact O-CB 3.49Å; I153-L157 PolarHBondContact O-N 3.47Å; Y154-L157 PolarHBondContact O-N 3.06Å; E155-L157 VanDerWaalsContact C-N 3.34Å; E155-L157 PolarHBondContact O-N 2.86Å; L157-L160 PolarHBondContact O-N 3.46Å; L157-T161 WeakPolarHBondContact O-CB 3.47Å; L157-T161 PolarHBondContact O-N 3.45Å; L157-T161 PolarHBondContact O-OG1 2.94Å |
| 158 | N | 95 | Very high | 91.3 | Very high | 103 Ų | 103 | 90.7 Ų | 90.7 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 177.5 | -72 | -6.7 | 0 | 0 | 0 | 112.1 | Y154 E155 R156 T161 S162 | Y154-N158 PolarHBondContact O-N 3.2Å; E155-N158 PolarHBondContact O-N 3.1Å; R156-N158 PolarHBondContact O-N 3.21Å; N158-T161 PolarHBondContact O-N 3.31Å; N158-S162 PolarHBondContact O-N 3.35Å; N158-S162 PolarHBondContact O-OG 2.86Å |
| 159 | S | 93.6 | Very high | 89.9 | Confident | 62 Ų | 62 | 92.1 Ų | 92.1 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 113 | E155 R156 S162 A163 | E155-S159 PolarHBondContact O-N 3.29Å; R156-S159 PolarHBondContact O-N 3.23Å; R156-S159 PolarHBondContact O-OG 3.46Å; S159-S162 PolarHBondContact O-OG 3.3Å; S159-A163 VanDerWaalsContact O-CB 3.23Å; S159-A163 WeakPolarHBondContact O-CB 3.26Å; S159-A163 PolarHBondContact O-N 2.84Å |
| 160 | L | 93.7 | Very high | 88.4 | Confident | 117 Ų | 117 | 92.2 Ų | 92.2 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.7 | -36 | 176.6 | -72 | 171.1 | 0 | 0 | 0 | 111.3 | R156 L157 A164 | R156-L160 WeakPolarHBondContact O-CG 3.29Å; R156-L160 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 3.46Å; L160-A164 WeakPolarHBondContact O-CB 3.43Å; L160-A164 PolarHBondContact O-N 2.95Å |
| 161 | T | 93.7 | Very high | 86.7 | Confident | 85 Ų | 85 | 90.9 Ų | 90.9 | 52% | 0.521 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 176.7 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | L157 N158 A165 | L157-T161 WeakPolarHBondContact O-CB 3.47Å; L157-T161 PolarHBondContact O-N 3.45Å; L157-T161 PolarHBondContact O-OG1 2.94Å; N158-T161 PolarHBondContact O-N 3.31Å; T161-A165 WeakPolarHBondContact O-CB 3.28Å; T161-A165 PolarHBondContact O-N 3.01Å |
| 162 | S | 89.7 | Confident | 84.9 | Confident | 74 Ų | 74 | 92.3 Ų | 92.3 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | N158 S159 A165 A166 | N158-S162 PolarHBondContact O-N 3.35Å; N158-S162 PolarHBondContact O-OG 2.86Å; S159-S162 PolarHBondContact O-OG 3.3Å; S162-A165 PolarHBondContact O-N 3.02Å; S162-A166 PolarHBondContact O-N 3.29Å |
| 163 | A | 87.6 | Confident | 83 | Confident | 54 Ų | 54 | 97.3 Ų | 97.3 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S159 A166 A167 | S159-A163 VanDerWaalsContact O-CB 3.23Å; S159-A163 WeakPolarHBondContact O-CB 3.26Å; S159-A163 PolarHBondContact O-N 2.84Å; A163-A166 PolarHBondContact O-N 3.39Å; A163-A167 WeakPolarHBondContact O-CB 3.5Å; A163-A167 PolarHBondContact O-N 2.96Å |
| 164 | A | 86.5 | Confident | 80.4 | Confident | 57 Ų | 57 | 101 Ų | 101 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.4 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L160 A166 A167 V168 | L160-A164 WeakPolarHBondContact O-CB 3.43Å; L160-A164 PolarHBondContact O-N 2.95Å; A164-A166 VanDerWaalsContact C-N 3.33Å; A164-A166 PolarHBondContact O-N 2.97Å; A164-A167 PolarHBondContact O-N 3.32Å; A164-V168 VanDerWaalsContact O-CG2 3.3Å; A164-V168 WeakPolarHBondContact O-CG2 3.43Å; A164-V168 PolarHBondContact O-N 3.3Å |
| 165 | A | 84.2 | Confident | 78.2 | Confident | 58 Ų | 58 | 102.4 Ų | 102.4 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.4 | -41.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T161 S162 L169 | T161-A165 WeakPolarHBondContact O-CB 3.28Å; T161-A165 PolarHBondContact O-N 3.01Å; S162-A165 PolarHBondContact O-N 3.02Å; A165-L169 PolarHBondContact O-N 3.45Å |
| 166 | A | 79.8 | Confident | 75.7 | Confident | 51 Ų | 51 | 101.5 Ų | 101.5 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.8 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S162 A163 A164 V168 L169 V170 | S162-A166 PolarHBondContact O-N 3.29Å; A163-A166 PolarHBondContact O-N 3.39Å; A164-A166 VanDerWaalsContact C-N 3.33Å; A164-A166 PolarHBondContact O-N 2.97Å; A166-V168 VanDerWaalsContact C-N 3.34Å; A166-V168 PolarHBondContact O-N 2.75Å; A166-L169 PolarHBondContact O-N 3.48Å; A166-V170 PolarHBondContact O-N 3.38Å |
| 167 | A | 76.2 | Confident | 72.9 | Confident | 56 Ų | 56 | 101.6 Ų | 101.6 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.6 | -36.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A163 A164 L169 V170 S171 | A163-A167 WeakPolarHBondContact O-CB 3.5Å; A163-A167 PolarHBondContact O-N 2.96Å; A164-A167 PolarHBondContact O-N 3.32Å; A167-L169 VanDerWaalsContact C-N 3.32Å; A167-L169 PolarHBondContact O-N 3.03Å; A167-V170 PolarHBondContact O-N 3.38Å; A167-S171 PolarHBondContact O-N 3.28Å |
| 168 | V | 74.5 | Confident | 70.5 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.2 | -38.5 | 174.6 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | A164 A166 S172 | A164-V168 VanDerWaalsContact O-CG2 3.3Å; A164-V168 WeakPolarHBondContact O-CG2 3.43Å; A164-V168 PolarHBondContact O-N 3.3Å; A166-V168 VanDerWaalsContact C-N 3.34Å; A166-V168 PolarHBondContact O-N 2.75Å; V168-S172 PolarHBondContact O-N 2.96Å; V168-S172 PolarHBondContact O-OG 2.97Å |
| 169 | L | 67.7 | Low | 68.2 | Low | 130 Ų | 130 | 107.4 Ų | 107.4 | 68% | 0.681 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.6 | -38.2 | 175.9 | -72.8 | 167 | 0 | 0 | 0 | 112.6 | A165 A166 A167 | A165-L169 PolarHBondContact O-N 3.45Å; A166-L169 PolarHBondContact O-N 3.48Å; A167-L169 VanDerWaalsContact C-N 3.32Å; A167-L169 PolarHBondContact O-N 3.03Å |
| 170 | V | 62.4 | Low | 65.5 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 67% | 0.673 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.8 | -42.2 | 179.7 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | A166 A167 S172 Q173 | A166-V170 PolarHBondContact O-N 3.38Å; A167-V170 PolarHBondContact O-N 3.38Å; V170-S172 PolarHBondContact O-N 3.48Å; V170-Q173 PolarHBondContact O-N 3.5Å |
| 171 | S | 59.3 | Low | 63.1 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 70% | 0.699 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65 | -21.1 | 178.5 | -77.1 | 0 | 0 | 0 | 0 | 113.8 | A167 Q173 | A167-S171 PolarHBondContact O-N 3.28Å; S171-Q173 PolarHBondContact O-N 3.34Å |
| 172 | S | 61.1 | Low | 60.4 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 62% | 0.622 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -9.3 | 178.2 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | V168 V170 | V168-S172 PolarHBondContact O-N 2.96Å; V168-S172 PolarHBondContact O-OG 2.97Å; V170-S172 PolarHBondContact O-N 3.48Å |
| 173 | Q | 55.3 | Low | 58.2 | Low | 160 Ų | 160 | 113.3 Ų | 113.3 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -0.1 | -178.4 | -75.7 | -74.2 | -60.2 | 0 | 0 | 114.4 | V170 S171 E175 | V170-Q173 PolarHBondContact O-N 3.5Å; S171-Q173 PolarHBondContact O-N 3.34Å; Q173-E175 VanDerWaalsContact C-N 3.3Å; Q173-E175 PolarHBondContact O-N 3.29Å |
| 174 | Q | 43.6 | Very low | 56.1 | Low | 175 Ų | 175 | 119.2 Ų | 119.2 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -81 | 82.5 | 170.2 | -168.7 | 156.2 | -30.5 | 0 | 0 | 109.9 | P176 | Q174-P176 WeakPolarHBondContact O-CD 3.4Š| ||
| 175 | E | 49.5 | Very low | 54.2 | Low | 172 Ų | 172 | 120.8 Ų | 120.8 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -63.6 | 123.9 | 167.8 | -76.2 | -168.1 | 120.2 | 0 | 0 | 109.8 | Q173 L177 | Q173-E175 VanDerWaalsContact C-N 3.3Å; Q173-E175 PolarHBondContact O-N 3.29Å; E175-L177 PolarHBondContact O-N 3.44Å | ||
| 176 | P | 43.2 | Very low | 52.6 | Low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | trans | -64.3 | 125.2 | 169.5 | 24.1 | -29.3 | 0 | 0 | 0 | 109.5 | Q174 M178 | Q174-P176 WeakPolarHBondContact O-CD 3.4Å; P176-M178 PolarHBondContact O-N 3.36Å | ||
| 177 | L | 37.7 | Very low | 50.7 | Low | 172 Ų | 172 | 126.8 Ų | 126.8 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -49.7 | 105.4 | 178.6 | -62.7 | 176.1 | 0 | 0 | 0 | 111 | E175 V179 | E175-L177 PolarHBondContact O-N 3.44Å; L177-V179 PolarHBondContact O-N 2.94Å | ||
| 178 | M | 46.2 | Very low | 48.9 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 89% | 0.892 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.2 | 174.9 | -74.1 | -92.6 | -80.3 | 0 | 0 | 110 | P176 A180 | P176-M178 PolarHBondContact O-N 3.36Å; M178-A180 PolarHBondContact O-N 3.39Å |
| 179 | V | 46.7 | Very low | 47 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.5 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | L177 | L177-V179 PolarHBondContact O-N 2.94Š|
| 180 | A | 38.1 | Very low | 45.7 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 142.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M178 | M178-A180 PolarHBondContact O-N 3.39Š|
| 181 | P | 41.5 | Very low | 44.3 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -111.7 | 126.5 | 143.8 | 26.9 | -12.8 | 0 | 0 | 0 | 111.2 | ||||
| 182 | L | 38.8 | Very low | 43.3 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -51 | 153.9 | 171.3 | -165.3 | 70.4 | 0 | 0 | 0 | 114.9 | ||||
| 183 | A | 42.3 | Very low | 42.3 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | 102.1 | 105.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 184 | M | 43.4 | Very low | 41.3 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | 142.2 | 86.4 | 120.9 | -72.1 | -53.3 | -163.9 | 0 | 0 | 108.9 | |||||
| 185 | A | 46 | Very low | 40.6 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 104.5 | 141.5 | 83.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 186 | P | 51.2 | Low | 39.9 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -103 | 174.6 | -155.4 | 39.9 | -31.4 | 0 | 0 | 0 | 113.4 | ||||
| 187 | P | 40.4 | Very low | 39.2 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | -148.2 | 149.2 | 107.1 | 35.3 | -17.4 | 0 | 0 | 0 | 116.9 | |||||
| 188 | M | 37.6 | Very low | 39 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | 69.2 | 113.8 | 141.9 | -136.3 | 82 | 79 | 0 | 0 | 122.4 | ||||
| 189 | V | 35.1 | Very low | 38.6 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -50.5 | 157.4 | 155.1 | -129.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 190 | P | 40.2 | Very low | 37.8 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | -147.5 | 149.1 | 70 | 36.3 | -15.5 | 0 | 0 | 0 | 117.6 | |||||
| 191 | N | 33.9 | Very low | 37.6 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 67.4 | 109.7 | 136.1 | -78.3 | -3.3 | 0 | 0 | 0 | 123.5 | ||||
| 192 | A | 38.1 | Very low | 37 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | 86.3 | 159.1 | 109.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 193 | P | 40.6 | Very low | 37 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | -127.2 | 141.6 | -115.4 | 34.4 | -15.6 | 0 | 0 | 0 | 113.5 | |||||
| 194 | L | 33.3 | Very low | 36.6 | Very low | 157 Ų | 157 | 132.7 Ų | 132.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -117.1 | 78.4 | 173.3 | -84.2 | -88.7 | 0 | 0 | 0 | 109.4 | V196 | L194-V196 HydrophobicContact CD1-CG2 3.95Š| ||
| 195 | L | 28.5 | Very low | 36 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 108.9 | 145.5 | -104.6 | 163.3 | 0 | 0 | 0 | 106.2 | ||||
| 196 | V | 35.5 | Very low | 35 | Very low | 122 Ų | 122 | 133 Ų | 133 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -134.7 | 119 | 162.7 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | L194 | L194-V196 HydrophobicContact CD1-CG2 3.95Š| ||
| 197 | Q | 28.4 | Very low | 34.2 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 162 | 176.6 | -76 | -168.6 | 5.9 | 0 | 0 | 114.3 | ||
| 198 | P | 32.7 | Very low | 33.5 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 159.3 | 164.2 | 30.9 | -33.9 | 0 | 0 | 0 | 112.5 | ||
| 199 | P | 39.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 151.4 | -167.4 | 30.4 | -33.9 | 0 | 0 | 0 | 113.4 | ||
| 200 | P | 28.2 | Very low | 33.6 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -96 | 169.3 | -179.1 | 35.8 | -25.7 | 0 | 0 | 0 | 112.1 | ||
| 201 | L | 35.1 | Very low | 33.3 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | 166.7 | 109.4 | 118.5 | -79.8 | -177.2 | 0 | 0 | 0 | 110.7 | |||||
| 202 | E | 29.6 | Very low | 33.1 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -58 | 178.1 | 149 | -56.9 | -171.1 | 116.5 | 0 | 0 | 110.1 | ||||
| 203 | P | 38.6 | Very low | 33 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -144.5 | -178.5 | 32.2 | 33.6 | -5 | 0 | 0 | 0 | 112.6 | ||||
| 204 | D | 33.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | -175 | 133.2 | 62.1 | -98.7 | -44.7 | 0 | 0 | 0 | 110.8 | |||||
| 205 | L | 31.1 | Very low | 32.9 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | 68.4 | 113.1 | 126.6 | -53.6 | 174.2 | 0 | 0 | 0 | 119.1 | |||||
| 206 | L | 24.3 | Very low | 33.2 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | 99.7 | 148.3 | 58.9 | -88.3 | -166.9 | 0 | 0 | 0 | 113.1 | |||||
| 207 | L | 34.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 83.9 | 106.6 | 174 | -81.7 | 80.7 | 0 | 0 | 0 | 115.9 | ||||
| 208 | V | 26.5 | Very low | 33.9 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | 61.4 | 130.9 | 43.7 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 209 | P | 36.2 | Very low | 34.4 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -150.1 | -151.3 | 43.6 | 45.3 | -20.8 | 0 | 0 | 0 | 115 | ||||
| 210 | P | 37.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | -129.3 | -167.8 | -106.9 | 38.8 | -15.4 | 0 | 0 | 0 | 114.6 | |||||
| 211 | E | 34.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | 139.4 | 92.9 | 144.1 | -69.7 | -70.9 | 94.2 | 0 | 0 | 114 | ||||
| 212 | Q | 30.3 | Very low | 35.3 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | 30.6 | 154.1 | 132.7 | -67.1 | -156.5 | -17.9 | 0 | 0 | 125.4 | ||||
| 213 | P | 35 | Very low | 35.9 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -112.6 | 152.1 | -147.7 | 28.3 | -9.8 | 0 | 0 | 0 | 115.6 | ||||
| 214 | L | 38.8 | Very low | 36.1 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -127.1 | 109 | 170.8 | -94.2 | 164.9 | 0 | 0 | 0 | 112.3 | ||||
| 215 | M | 33 | Very low | 36.4 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 29.2 | 110.1 | 152.9 | -82.4 | -179.5 | 66 | 0 | 0 | 119.6 | ||||
| 216 | A | 36.2 | Very low | 36.6 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 136.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 217 | P | 40.9 | Very low | 37.1 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 157.8 | 173.9 | 31.9 | -32.9 | 0 | 0 | 0 | 112 | ||
| 218 | P | 37.9 | Very low | 36.9 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 156 | -164.7 | 31.6 | -35 | 0 | 0 | 0 | 113.9 | ||
| 219 | P | 41.8 | Very low | 37.3 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 125.2 | -176.6 | 29.8 | -32.8 | 0 | 0 | 0 | 112.6 | ||
| 220 | E | 38.4 | Very low | 36.9 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 142.3 | 170.1 | -71.6 | -177.7 | 168.3 | 0 | 0 | 111.4 | ||
| 221 | P | 39.6 | Very low | 37 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 150.4 | -170 | 29.3 | -34.9 | 0 | 0 | 0 | 113.5 | M223 | P221-M223 PolarHBondContact O-N 2.95Š|
| 222 | P | 44.3 | Very low | 37.1 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 123.6 | -175.5 | 28.5 | -33.3 | 0 | 0 | 0 | 111.9 | V224 | P222-V224 PolarHBondContact O-N 3.44Š|
| 223 | M | 41.7 | Very low | 37 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 116.7 | 169.4 | -77.8 | -174.3 | -68.8 | 0 | 0 | 110.4 | P221 | P221-M223 PolarHBondContact O-N 2.95Š|
| 224 | V | 43 | Very low | 37 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 121.7 | 171.9 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | P222 | P222-V224 PolarHBondContact O-N 3.44Š|
| 225 | P | 39.7 | Very low | 36.8 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78 | 139.4 | 168.8 | 30.3 | -30.3 | 0 | 0 | 0 | 110.3 | ||
| 226 | P | 35 | Very low | 36.6 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -90 | 158.1 | -171.9 | 36.4 | -34.9 | 0 | 0 | 0 | 113.2 | ||
| 227 | F | 35.8 | Very low | 36.4 | Very low | 189 Ų | 189 | 135 Ų | 135 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | 85.3 | 75.8 | 168.1 | -59.9 | -75.9 | 0 | 0 | 0 | 117.8 | ||||
| 228 | A | 30.4 | Very low | 35.8 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -74.9 | 110.7 | 144 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 229 | M | 35 | Very low | 35.7 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -112.7 | 106.6 | 158.7 | -78.9 | -91.6 | 74.2 | 0 | 0 | 107.2 | ||||
| 230 | A | 27.4 | Very low | 35.1 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -85.8 | 142 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 231 | P | 38.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -118.7 | 168.4 | 146 | 33.7 | -19.6 | 0 | 0 | 0 | 111.1 | ||||
| 232 | P | 36.6 | Very low | 34.5 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -99.6 | 144.2 | -134.3 | 35.6 | -34.6 | 0 | 0 | 0 | 115.8 | ||||
| 233 | M | 27.4 | Very low | 33.9 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 26.8 | 96 | 130.9 | -60 | -66.6 | 156 | 0 | 0 | 117.2 | ||||
| 234 | L | 35.8 | Very low | 33.3 | Very low | 177 Ų | 177 | 130 Ų | 130 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | trans | -117.4 | 132.9 | 145.5 | -106.6 | 164.5 | 0 | 0 | 0 | 107.9 | ||||
| 235 | A | 33.3 | Very low | 32.7 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -58.2 | 148.8 | -160.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V237 | A235-V237 PolarHBondContact O-N 3.28Š| ||
| 236 | D | 29 | Very low | 32.3 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -40.9 | 111.5 | 174.9 | -70.1 | -73.5 | 0 | 0 | 0 | 113.8 | ||||
| 237 | V | 32.4 | Very low | 32 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -119.7 | 118 | 147.2 | 179.9 | 0 | 0 | 0 | 0 | 105.6 | A235 V239 | A235-V237 PolarHBondContact O-N 3.28Å; V237-V239 PolarHBondContact O-N 3.41Å | ||
| 238 | P | 29.6 | Very low | 31.6 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -66.4 | 100.2 | 178.7 | 27.4 | -31.5 | 0 | 0 | 0 | 107.7 | L240 | P238-L240 VanDerWaalsContact C-N 3.25Å; P238-L240 PolarHBondContact O-N 3.01Å | ||
| 239 | V | 34.3 | Very low | 31.6 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -65.3 | 98.3 | 162.9 | -177.7 | 0 | 0 | 0 | 0 | 105.1 | V237 V241 | V237-V239 PolarHBondContact O-N 3.41Å; V239-V241 HydrophobicContact CB-CG2 4.44Å; V239-V241 HydrophobicContact CG1-CG2 3.6Å; V239-V241 PolarHBondContact O-N 3.43Å | ||
| 240 | L | 29.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 123.9 Ų | 123.9 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 72.9 | 166.9 | -171.2 | 78 | 0 | 0 | 0 | 107.6 | P238 P242 | P238-L240 VanDerWaalsContact C-N 3.25Å; P238-L240 PolarHBondContact O-N 3.01Å; L240-P242 VanDerWaalsContact O-CD 3.29Å; L240-P242 WeakPolarHBondContact O-CD 3.23Å | ||
| 241 | V | 33.2 | Very low | 31.2 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 57% | 0.57 | 78% | 0.78 | S | S | * | * | trans | -68 | 116.8 | 161.6 | -177.6 | 0 | 0 | 0 | 0 | 104.9 | V239 H243 | V239-V241 HydrophobicContact CB-CG2 4.44Å; V239-V241 HydrophobicContact CG1-CG2 3.6Å; V239-V241 PolarHBondContact O-N 3.43Å; V241-H243 PolarHBondContact O-N 2.78Å | ||
| 242 | P | 32.1 | Very low | 30.8 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -63.6 | 104.6 | 175.9 | -13.8 | 28.3 | 0 | 0 | 0 | 107.6 | L240 A244 | L240-P242 VanDerWaalsContact O-CD 3.29Å; L240-P242 WeakPolarHBondContact O-CD 3.23Å; P242-A244 PolarHBondContact O-N 2.82Å | ||
| 243 | H | 31 | Very low | 30.3 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 26.3 | 175.6 | -122.6 | 76.9 | 0 | 0 | 0 | 112.7 | V241 | V241-H243 PolarHBondContact O-N 2.78Š|
| 244 | A | 30 | Very low | 30.2 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | -1.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P242 | P242-A244 PolarHBondContact O-N 2.82Š|
| 245 | L | 29.8 | Very low | 29.7 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -92.9 | -4.7 | 179.8 | -132.3 | 105.7 | 0 | 0 | 0 | 115.2 | ||
| 246 | L | 31.3 | Very low | 29.4 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -100 | -0.5 | 175.8 | -117.5 | 153.3 | 0 | 0 | 0 | 113.7 | ||
| 247 | A | 29 | Very low | 29.3 | Very low | 84 Ų | 84 | 121 Ų | 121 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -103.2 | 3.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 248 | A | 27.9 | Very low | 29.1 | Very low | 96 Ų | 96 | 119.5 Ų | 119.5 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -105.5 | 25.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 249 | A | 30.8 | Very low | 28.9 | Very low | 101 Ų | 101 | 118 Ų | 118 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -107.8 | 57.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 250 | G | 27 | Very low | 28.7 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -74.5 | 134.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 251 | E | 26.2 | Very low | 28.5 | Very low | 186 Ų | 186 | 113.5 Ų | 113.5 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -49.7 | 140.1 | -179.4 | -57.5 | 174 | 111.5 | 0 | 0 | 113.8 | ||||
| 252 | P | 30.7 | Very low | 28.4 | Very low | 132 Ų | 132 | 116.5 Ų | 116.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -84.8 | 112.2 | 155.1 | 30.2 | -22.1 | 0 | 0 | 0 | 109.1 | ||||
| 253 | L | 26.6 | Very low | 28.3 | Very low | 167 Ų | 167 | 118.7 Ų | 118.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -57.6 | 148.9 | 162.6 | -154.6 | 81.2 | 0 | 0 | 0 | 110.9 | ||||
| 254 | A | 24.6 | Very low | 28.6 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -46.1 | 137.5 | -179 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 255 | A | 25.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 121 Ų | 121 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | 159.3 | 132.7 | 142.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 256 | A | 26.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | cis | -155.3 | 155.2 | 28.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A258 | A256-A258 PolarHBondContact O-N 2.67Š| ||
| 257 | A | 25.6 | Very low | 29.5 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | trans | -56.4 | 125.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 258 | A | 29.9 | Very low | 30 | Very low | 86 Ų | 86 | 118.5 Ų | 118.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -148.4 | 105.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | A256 V260 | A256-A258 PolarHBondContact O-N 2.67Å; A258-V260 PolarHBondContact O-N 3.3Å | ||
| 259 | G | 24.8 | Very low | 30.5 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | trans | -58.4 | 111.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 260 | V | 29.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -114.8 | 115.8 | 164.1 | 175.8 | 0 | 0 | 0 | 0 | 105.3 | A258 | A258-V260 PolarHBondContact O-N 3.3Š| ||
| 261 | G | 26.1 | Very low | 32.2 | Very low | 57 Ų | 57 | 127.8 Ų | 127.8 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | trans | -51.4 | 143.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N263 | G261-N263 VanDerWaalsContact C-N 3.28Å; G261-N263 PolarHBondContact O-N 3.25Å | ||
| 262 | I | 30.7 | Very low | 33.7 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -61.6 | 97.4 | 163.2 | -55.6 | 172.9 | 0 | 0 | 0 | 105.3 | E264 | I262-E264 HydrophobicContact CG2-CG 3.77Å; I262-E264 PolarHBondContact O-N 2.85Å | ||
| 263 | N | 31.5 | Very low | 35.3 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | -71.4 | 92.1 | 162.9 | -73.1 | -59.1 | 0 | 0 | 0 | 106 | G261 D265 | G261-N263 VanDerWaalsContact C-N 3.28Å; G261-N263 PolarHBondContact O-N 3.25Å; N263-D265 PolarHBondContact O-N 2.82Å | ||
| 264 | E | 36.4 | Very low | 37.5 | Very low | 169 Ų | 169 | 114.9 Ų | 114.9 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | -68.8 | 73.9 | 157.5 | -63.2 | -176.8 | 120.4 | 0 | 0 | 107.4 | I262 | I262-E264 HydrophobicContact CG2-CG 3.77Å; I262-E264 PolarHBondContact O-N 2.85Å | ||
| 265 | D | 35.2 | Very low | 40 | Very low | 145 Ų | 145 | 113.9 Ų | 113.9 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | trans | -121.7 | 82.7 | 159.2 | -149.1 | -86.6 | 0 | 0 | 0 | 106.4 | N263 G267 | N263-D265 PolarHBondContact O-N 2.82Å; D265-G267 PolarHBondContact O-N 3.06Å | ||
| 266 | D | 38.4 | Very low | 42.5 | Very low | 137 Ų | 137 | 111.1 Ų | 111.1 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | trans | -61.5 | 86.1 | 167.1 | -74 | -65.7 | 0 | 0 | 0 | 107.9 | F268 | D266-F268 PolarHBondContact O-N 3.15Š| ||
| 267 | G | 36.6 | Very low | 44.8 | Very low | 66 Ų | 66 | 112.4 Ų | 112.4 | 68% | 0.68 | 65% | 0.65 | S | S | * | * | trans | -64.5 | 73.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D265 P269 | D265-G267 PolarHBondContact O-N 3.06Å; G267-P269 WeakPolarHBondContact O-CD 3.19Å | ||
| 268 | F | 39.8 | Very low | 47.3 | Very low | 152 Ų | 152 | 109.9 Ų | 109.9 | 67% | 0.667 | 62% | 0.623 | S | S | * | * | trans | -90.9 | 101.7 | 175 | -124.6 | -89.6 | 0 | 0 | 0 | 108.1 | D266 R270 | D266-F268 PolarHBondContact O-N 3.15Å; F268-R270 PolarHBondContact O-N 3.48Å | ||
| 269 | P | 38.3 | Very low | 49.7 | Very low | 79 Ų | 79 | 105.9 Ų | 105.9 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | trans | -68.2 | 105.3 | 172.9 | 25.9 | -33.1 | 0 | 0 | 0 | 109.6 | G267 N271 S273 | G267-P269 WeakPolarHBondContact O-CD 3.19Å; P269-N271 PolarHBondContact O-N 3.17Å; P269-S273 WeakPolarHBondContact CB-OG 3.27Å; P269-S273 WeakPolarHBondContact CG-OG 3.27Å | ||
| 270 | R | 44.2 | Very low | 52.4 | Low | 240 Ų | 240 | 104.2 Ų | 104.2 | 91% | 0.906 | 56% | 0.56 | S | S | * | * | trans | -69.5 | -3 | 173 | -68.6 | -178.1 | 175.6 | -126 | -0.1 | 113.5 | F268 G272 | F268-R270 PolarHBondContact O-N 3.48Å; R270-G272 PolarHBondContact O-N 2.7Å | ||
| 271 | N | 49.7 | Very low | 54.7 | Low | 143 Ų | 143 | 101.8 Ų | 101.8 | 77% | 0.765 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -97.2 | 59.3 | -170.4 | -64.9 | -7.3 | 0 | 0 | 0 | 111.6 | P269 S273 | P269-N271 PolarHBondContact O-N 3.17Å; N271-S273 PolarHBondContact O-N 2.74Å |
| 272 | G | 56.5 | Low | 57.2 | Low | 33 Ų | 33 | 102.9 Ų | 102.9 | 34% | 0.34 | 55% | 0.546 | S | S | . | . | S | Bend | trans | 58.6 | 1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | R270 Y274 L275 L276 | R270-G272 PolarHBondContact O-N 2.7Å; G272-Y274 PolarHBondContact O-N 2.9Å; G272-Y274 VanDerWaalsContact O-N 3.17Å; G272-L275 WeakPolarHBondContact O-CB 3.36Å; G272-L275 PolarHBondContact O-N 3.39Å; G272-L276 PolarHBondContact O-N 3.37Å |
| 273 | S | 65 | Low | 59.4 | Low | 31 Ų | 31 | 98 Ų | 98 | 22% | 0.217 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -65.2 | -27.4 | -169.6 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | P269 N271 L275 L276 E277 | P269-S273 WeakPolarHBondContact CB-OG 3.27Å; P269-S273 WeakPolarHBondContact CG-OG 3.27Å; N271-S273 PolarHBondContact O-N 2.74Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L276 CarbonylContact O-C 3.56Å; S273-L276 WeakPolarHBondContact O-CB 3.48Å; S273-L276 PolarHBondContact O-N 3.39Å; S273-E277 PolarHBondContact O-N 2.88Å |
| 274 | Y | 71.7 | Confident | 61.5 | Low | 150 Ų | 150 | 95.1 Ų | 95.1 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -37.7 | 174 | -176.8 | -94.9 | 0 | 0 | 0 | 112.4 | G272 L276 E277 V278 | G272-Y274 PolarHBondContact O-N 2.9Å; G272-Y274 VanDerWaalsContact O-N 3.17Å; Y274-L276 VanDerWaalsContact C-N 3.29Å; Y274-E277 PolarHBondContact O-N 2.92Å; Y274-V278 HydrophobicContact CD1-CG2 4.01Å; Y274-V278 HydrophobicContact CE1-CG2 3.51Å; Y274-V278 HydrophobicContact CE2-CG2 4.22Å; Y274-V278 WeakPolarHBondContact O-CB 3.43Å; Y274-V278 VanDerWaalsContact O-CG2 3.26Å; Y274-V278 WeakPolarHBondContact O-CG2 3.36Å; Y274-V278 PolarHBondContact O-N 2.87Å |
| 275 | L | 78.3 | Confident | 62.9 | Low | 75 Ų | 75 | 93 Ų | 93 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 175.6 | -67.1 | 178 | 0 | 0 | 0 | 110.7 | G272 S273 A279 V299 | G272-L275 WeakPolarHBondContact O-CB 3.36Å; G272-L275 PolarHBondContact O-N 3.39Å; S273-L275 VanDerWaalsContact C-N 3.34Å; L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 3.19Å; L275-V299 HydrophobicContact CB-CG1 3.66Å; L275-V299 HydrophobicContact CB-CG2 4.12Å; L275-V299 HydrophobicContact CD1-CG1 3.89Å; L275-V299 HydrophobicContact CG-CG1 4.31Å |
| 276 | L | 78.3 | Confident | 64.2 | Low | 47 Ų | 47 | 89.2 Ų | 89.2 | 25% | 0.246 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | 173.2 | -64.3 | 167.8 | 0 | 0 | 0 | 111.6 | G272 S273 Y274 V278 A279 D280 A294 V299 | G272-L276 PolarHBondContact O-N 3.37Å; S273-L276 CarbonylContact O-C 3.56Å; S273-L276 WeakPolarHBondContact O-CB 3.48Å; S273-L276 PolarHBondContact O-N 3.39Å; Y274-L276 VanDerWaalsContact C-N 3.29Å; L276-V278 PolarHBondContact O-N 2.88Å; L276-A279 CarbonylContact O-C 3.55Å; L276-A279 PolarHBondContact O-N 3.31Å; L276-D280 WeakPolarHBondContact O-CB 3.3Å; L276-D280 PolarHBondContact O-N 3.25Å; L276-A294 VanDerWaalsContact CD2-O 3.31Å; L276-A294 WeakPolarHBondContact CD2-O 3.41Å; L276-V299 HydrophobicContact CD2-CG2 3.7Å; L276-V299 HydrophobicContact CG-CG2 4.29Å |
| 277 | E | 75 | Confident | 65 | Low | 124 Ų | 124 | 93.5 Ų | 93.5 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 175.4 | -78.9 | -180 | 177.4 | 0 | 0 | 112.6 | S273 Y274 A281 | S273-E277 PolarHBondContact O-N 2.88Å; Y274-E277 PolarHBondContact O-N 2.92Å; E277-A281 WeakPolarHBondContact O-CB 3.43Å; E277-A281 PolarHBondContact O-N 3.21Å |
| 278 | V | 77.6 | Confident | 65.8 | Low | 53 Ų | 53 | 93.3 Ų | 93.3 | 32% | 0.321 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | Y274 L276 A281 I282 | Y274-V278 HydrophobicContact CD1-CG2 4.01Å; Y274-V278 HydrophobicContact CE1-CG2 3.51Å; Y274-V278 HydrophobicContact CE2-CG2 4.22Å; Y274-V278 WeakPolarHBondContact O-CB 3.43Å; Y274-V278 VanDerWaalsContact O-CG2 3.26Å; Y274-V278 WeakPolarHBondContact O-CG2 3.36Å; Y274-V278 PolarHBondContact O-N 2.87Å; L276-V278 PolarHBondContact O-N 2.88Å; V278-A281 PolarHBondContact O-N 3.48Å; V278-I282 HydrophobicContact CG1-CD1 3.73Å; V278-I282 HydrophobicContact CG1-CG1 4.48Å; V278-I282 WeakPolarHBondContact O-CD1 3.49Å; V278-I282 WeakPolarHBondContact O-CG1 3.45Å; V278-I282 PolarHBondContact O-N 2.96Å |
| 279 | A | 80.8 | Confident | 66.6 | Low | 2 Ų | 2 | 90.2 Ų | 90.2 | 2% | 0.017 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L275 L276 A281 I282 L283 A294 V299 L302 | L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 3.19Å; L276-A279 CarbonylContact O-C 3.55Å; L276-A279 PolarHBondContact O-N 3.31Å; A279-A281 VanDerWaalsContact C-N 3.31Å; A279-A281 PolarHBondContact O-N 2.84Å; A279-I282 PolarHBondContact O-N 3.36Å; A279-I282 VanDerWaalsContact O-N 3.13Å; A279-L283 VanDerWaalsContact O-CB 3.32Å; A279-L283 WeakPolarHBondContact O-CB 3.39Å; A279-L283 VanDerWaalsContact O-CG 3.32Å; A279-L283 WeakPolarHBondContact O-CG 3.46Å; A279-L283 PolarHBondContact O-N 2.85Å; A279-A294 HydrophobicContact CB-CB 3.44Å; A279-A294 VanDerWaalsContact CB-CB 3.44Å; A279-V299 HydrophobicContact CB-CG2 3.8Å; A279-L302 HydrophobicContact CB-CD1 3.63Å |
| 280 | D | 80.5 | Confident | 67.5 | Low | 53 Ų | 53 | 94 Ų | 94 | 28% | 0.283 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -52.8 | -51 | 170.7 | -90.4 | 18.3 | 0 | 0 | 0 | 109.8 | L276 I282 L283 D284 Q293 A294 | L276-D280 WeakPolarHBondContact O-CB 3.3Å; L276-D280 PolarHBondContact O-N 3.25Å; D280-I282 VanDerWaalsContact C-N 3.27Å; D280-I282 PolarHBondContact O-N 3.47Å; D280-L283 PolarHBondContact O-N 2.7Å; D280-D284 WeakPolarHBondContact O-CB 3.31Å; D280-D284 PolarHBondContact O-N 3.2Å; D280-Q293 WeakPolarHBondContact OD1-CA 3.3Å; D280-A294 WeakPolarHBondContact OD1-CB 3.39Å; D280-A294 PolarHBondContact OD1-N 2.74Å |
| 281 | A | 78.1 | Confident | 68.2 | Low | 77 Ų | 77 | 86.8 Ų | 86.8 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.9 | -25.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | E277 V278 A279 | E277-A281 WeakPolarHBondContact O-CB 3.43Å; E277-A281 PolarHBondContact O-N 3.21Å; V278-A281 PolarHBondContact O-N 3.48Å; A279-A281 VanDerWaalsContact C-N 3.31Å; A279-A281 PolarHBondContact O-N 2.84Å |
| 282 | I | 78.1 | Confident | 69 | Low | 80 Ų | 80 | 83.5 Ų | 83.5 | 41% | 0.41 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -84.2 | -38.9 | 176.7 | -68.4 | 164.9 | 0 | 0 | 0 | 111.1 | V278 A279 D280 L302 | V278-I282 HydrophobicContact CG1-CD1 3.73Å; V278-I282 HydrophobicContact CG1-CG1 4.48Å; V278-I282 WeakPolarHBondContact O-CD1 3.49Å; V278-I282 WeakPolarHBondContact O-CG1 3.45Å; V278-I282 PolarHBondContact O-N 2.96Å; A279-I282 PolarHBondContact O-N 3.36Å; A279-I282 VanDerWaalsContact O-N 3.13Å; D280-I282 VanDerWaalsContact C-N 3.27Å; D280-I282 PolarHBondContact O-N 3.47Å; I282-L302 HydrophobicContact CB-CD1 4.23Å; I282-L302 HydrophobicContact CD1-CD1 4.15Å; I282-L302 HydrophobicContact CG2-CD1 4.18Å; I282-L302 HydrophobicContact CG2-CD2 3.73Å |
| 283 | L | 77.6 | Confident | 70 | Confident | 54 Ų | 54 | 89.5 Ų | 89.5 | 28% | 0.283 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -82.6 | -20.2 | -179.1 | -67.8 | -179.6 | 0 | 0 | 0 | 113.2 | A279 D280 D285 A294 D298 | A279-L283 VanDerWaalsContact O-CB 3.32Å; A279-L283 WeakPolarHBondContact O-CB 3.39Å; A279-L283 VanDerWaalsContact O-CG 3.32Å; A279-L283 WeakPolarHBondContact O-CG 3.46Å; A279-L283 PolarHBondContact O-N 2.85Å; D280-L283 PolarHBondContact O-N 2.7Å; L283-D285 VanDerWaalsContact C-N 3.28Å; L283-D285 PolarHBondContact O-N 2.89Å; L283-A294 HydrophobicContact CD1-CB 4.06Å; L283-D298 HydrophobicContact CD1-CB 3.71Å |
| 284 | D | 76 | Confident | 70.7 | Confident | 87 Ų | 87 | 88.6 Ų | 88.6 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | trans | -71 | 85.7 | 172.8 | -172.6 | 18.6 | 0 | 0 | 0 | 110.2 | D280 G286 | D280-D284 WeakPolarHBondContact O-CB 3.31Å; D280-D284 PolarHBondContact O-N 3.2Å; D284-G286 PolarHBondContact O-N 2.98Å; D284-G286 VanDerWaalsContact O-N 3.09Å; D284-G286 PolarHBondContact OD1-N 3.26Å; D284-G286 VanDerWaalsContact OD1-N 3.17Å | ||
| 285 | D | 64.5 | Low | 71.3 | Confident | 126 Ų | 126 | 84.9 Ų | 84.9 | 67% | 0.674 | 49% | 0.493 | S | S | * | . | trans | -70.9 | 5.4 | 174.2 | -76.9 | -24.9 | 0 | 0 | 0 | 112.7 | L283 R287 | L283-D285 VanDerWaalsContact C-N 3.28Å; L283-D285 PolarHBondContact O-N 2.89Å; D285-R287 PolarHBondContact O-N 3Å | ||
| 286 | G | 63.2 | Low | 71.6 | Confident | 64 Ų | 64 | 86.7 Ų | 86.7 | 66% | 0.66 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 61 | 4.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D284 | D284-G286 PolarHBondContact O-N 2.98Å; D284-G286 VanDerWaalsContact O-N 3.09Å; D284-G286 PolarHBondContact OD1-N 3.26Å; D284-G286 VanDerWaalsContact OD1-N 3.17Å |
| 287 | R | 56.1 | Low | 71.9 | Confident | 228 Ų | 228 | 89.1 Ų | 89.1 | 86% | 0.86 | 52% | 0.516 | S | S | * | . | trans | -103 | -32.5 | -167.5 | -144.8 | -176.2 | -66 | -133.3 | 3.6 | 112.5 | D285 | D285-R287 PolarHBondContact O-N 3Š| ||
| 288 | S | 53.2 | Low | 72.3 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -94.4 | 111.1 | 168.3 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | H290 | S288-H290 PolarHBondContact O-N 2.98Š|
| 289 | G | 56.8 | Low | 72.7 | Confident | 86 Ų | 86 | 83 Ų | 83 | 89% | 0.887 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -64.4 | 23.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 290 | H | 56.4 | Low | 73 | Confident | 158 Ų | 158 | 84.4 Ų | 84.4 | 73% | 0.731 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -116.2 | 119.6 | 169 | -71.3 | 64.4 | 0 | 0 | 0 | 107 | S288 V292 | S288-H290 PolarHBondContact O-N 2.98Å; H290-V292 PolarHBondContact O-N 2.93Å |
| 291 | A | 59.8 | Low | 73.2 | Confident | 90 Ų | 90 | 89 Ų | 89 | 74% | 0.744 | 51% | 0.507 | S | S | * | . | trans | -59.7 | 107.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q293 | A291-Q293 PolarHBondContact O-N 3.35Š| ||
| 292 | V | 65 | Low | 73.6 | Confident | 74 Ų | 74 | 86.3 Ų | 86.3 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | trans | -75.6 | 108.4 | 172.7 | 179 | 0 | 0 | 0 | 0 | 106.1 | H290 A294 | H290-V292 PolarHBondContact O-N 2.93Å; V292-A294 PolarHBondContact O-N 3Å | ||
| 293 | Q | 78 | Confident | 74 | Confident | 159 Ų | 159 | 83.3 Ų | 83.3 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | trans | -71.3 | 115.5 | 169.8 | -79.7 | 174.5 | -46.3 | 0 | 0 | 108.4 | D280 A291 | D280-Q293 WeakPolarHBondContact OD1-CA 3.3Å; A291-Q293 PolarHBondContact O-N 3.35Å | ||
| 294 | A | 80.1 | Confident | 74.4 | Confident | 11 Ų | 11 | 87.3 Ų | 87.3 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | trans | -55.2 | 135.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L276 A279 D280 L283 V292 D298 | L276-A294 VanDerWaalsContact CD2-O 3.31Å; L276-A294 WeakPolarHBondContact CD2-O 3.41Å; A279-A294 HydrophobicContact CB-CB 3.44Å; A279-A294 VanDerWaalsContact CB-CB 3.44Å; D280-A294 WeakPolarHBondContact OD1-CB 3.39Å; D280-A294 PolarHBondContact OD1-N 2.74Å; L283-A294 HydrophobicContact CD1-CB 4.06Å; V292-A294 PolarHBondContact O-N 3Å; A294-D298 HydrophobicContact CB-CB 4.33Å | ||
| 295 | T | 84.5 | Confident | 74.8 | Confident | 72 Ų | 72 | 88.6 Ų | 88.6 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | trans | -96.1 | 167 | 174.2 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | D297 D298 V299 | T295-D297 PolarHBondContact O-N 2.9Å; T295-D298 WeakPolarHBondContact CB-OD2 3.35Å; T295-D298 PolarHBondContact N-OD2 3.35Å; T295-D298 WeakPolarHBondContact O-CB 3.24Å; T295-D298 PolarHBondContact O-N 2.98Å; T295-D298 PolarHBondContact OG1-N 2.87Å; T295-D298 PolarHBondContact OG1-OD2 3.4Å; T295-V299 PolarHBondContact O-N 3.17Å; T295-V299 VanDerWaalsContact O-N 3.17Å | ||
| 296 | D | 83.1 | Confident | 75.8 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.9 | -32.4 | 174 | -77.2 | -29 | 0 | 0 | 0 | 112.1 | D298 V299 D300 | D296-D298 VanDerWaalsContact C-N 3.33Å; D296-V299 PolarHBondContact O-N 3.03Å; D296-D300 PolarHBondContact O-N 2.99Å |
| 297 | D | 85.1 | Confident | 76.6 | Confident | 97 Ų | 97 | 88.6 Ų | 88.6 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.2 | -29.5 | 176.6 | -70.1 | -42.1 | 0 | 0 | 0 | 111.9 | T295 R301 K315 | T295-D297 PolarHBondContact O-N 2.9Å; D297-R301 WeakPolarHBondContact O-CB 3.37Å; D297-R301 PolarHBondContact O-N 3.35Å; D297-K315 IonicContact OD1-NZ 3.83Å; D297-K315 PolarHBondContact OD1-NZ 3.33Å |
| 298 | D | 84.7 | Confident | 77.9 | Confident | 40 Ų | 40 | 81.3 Ų | 81.3 | 21% | 0.214 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 173.6 | -67.1 | -52.1 | 0 | 0 | 0 | 111.9 | L283 A294 T295 D296 R301 L302 | L283-D298 HydrophobicContact CD1-CB 3.71Å; A294-D298 HydrophobicContact CB-CB 4.33Å; T295-D298 WeakPolarHBondContact CB-OD2 3.35Å; T295-D298 PolarHBondContact N-OD2 3.35Å; T295-D298 WeakPolarHBondContact O-CB 3.24Å; T295-D298 PolarHBondContact O-N 2.98Å; T295-D298 PolarHBondContact OG1-N 2.87Å; T295-D298 PolarHBondContact OG1-OD2 3.4Å; D296-D298 VanDerWaalsContact C-N 3.33Å; D298-R301 WeakPolarHBondContact O-CB 3.5Å; D298-R301 PolarHBondContact O-N 3.35Å; D298-L302 WeakPolarHBondContact O-CG 3.5Å; D298-L302 PolarHBondContact O-N 2.97Å |
| 299 | V | 84.8 | Confident | 79.2 | Confident | 10 Ų | 10 | 83.3 Ų | 83.3 | 6% | 0.061 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 173 | 172.5 | 0 | 0 | 0 | 0 | 110 | L275 L276 A279 T295 D296 R301 L302 L303 | L275-V299 HydrophobicContact CB-CG1 3.66Å; L275-V299 HydrophobicContact CB-CG2 4.12Å; L275-V299 HydrophobicContact CD1-CG1 3.89Å; L275-V299 HydrophobicContact CG-CG1 4.31Å; L276-V299 HydrophobicContact CD2-CG2 3.7Å; L276-V299 HydrophobicContact CG-CG2 4.29Å; A279-V299 HydrophobicContact CB-CG2 3.8Å; T295-V299 PolarHBondContact O-N 3.17Å; T295-V299 VanDerWaalsContact O-N 3.17Å; D296-V299 PolarHBondContact O-N 3.03Å; V299-R301 VanDerWaalsContact C-N 3.29Å; V299-R301 PolarHBondContact O-N 2.99Å; V299-L302 PolarHBondContact O-N 3.02Å; V299-L303 HydrophobicContact CG1-CD1 3.88Å; V299-L303 HydrophobicContact CG1-CG 4.29Å; V299-L303 WeakPolarHBondContact O-CB 3.23Å; V299-L303 VanDerWaalsContact O-CG 3.24Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.46Å |
| 300 | D | 86.9 | Confident | 80.3 | Confident | 31 Ų | 31 | 84.4 Ų | 84.4 | 17% | 0.166 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 177.5 | -81.1 | -3.2 | 0 | 0 | 0 | 111.6 | D296 L303 R304 I312 | D296-D300 PolarHBondContact O-N 2.99Å; D300-L303 PolarHBondContact O-N 3.15Å; D300-R304 WeakPolarHBondContact O-CG 3.34Å; D300-R304 PolarHBondContact O-N 3.48Å; D300-I312 HydrophobicContact CB-CD1 4.43Å |
| 301 | R | 86.3 | Confident | 81.2 | Confident | 150 Ų | 150 | 83.3 Ų | 83.3 | 57% | 0.566 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.3 | -49.9 | 175.7 | -179.8 | -178.1 | 168.6 | -166.9 | -6.7 | 111.9 | D297 D298 V299 L303 R304 E305 | D297-R301 WeakPolarHBondContact O-CB 3.37Å; D297-R301 PolarHBondContact O-N 3.35Å; D298-R301 WeakPolarHBondContact O-CB 3.5Å; D298-R301 PolarHBondContact O-N 3.35Å; V299-R301 VanDerWaalsContact C-N 3.29Å; V299-R301 PolarHBondContact O-N 2.99Å; R301-L303 VanDerWaalsContact C-N 3.3Å; R301-L303 PolarHBondContact O-N 3.36Å; R301-R304 PolarHBondContact O-N 3.3Å; R301-R304 VanDerWaalsContact O-N 3.15Å; R301-E305 IonicContact CZ-OE1 3.76Å; R301-E305 IonicContact NE-OE1 3.68Å; R301-E305 PolarHBondContact NE-OE1 3.48Å; R301-E305 IonicContact NH2-OE1 3.47Å; R301-E305 PolarHBondContact NH2-OE1 3.02Å; R301-E305 VanDerWaalsContact NH2-OE1 3.1Å; R301-E305 WeakPolarHBondContact O-CG 3.32Å; R301-E305 PolarHBondContact O-N 3Å |
| 302 | L | 85.9 | Confident | 82.1 | Confident | 20 Ų | 20 | 80.4 Ų | 80.4 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 178.4 | -74.6 | 171.9 | 0 | 0 | 0 | 111.8 | A279 I282 D298 V299 R304 E305 H306 | A279-L302 HydrophobicContact CB-CD1 3.63Å; I282-L302 HydrophobicContact CB-CD1 4.23Å; I282-L302 HydrophobicContact CD1-CD1 4.15Å; I282-L302 HydrophobicContact CG2-CD1 4.18Å; I282-L302 HydrophobicContact CG2-CD2 3.73Å; D298-L302 WeakPolarHBondContact O-CG 3.5Å; D298-L302 PolarHBondContact O-N 2.97Å; V299-L302 PolarHBondContact O-N 3.02Å; L302-R304 VanDerWaalsContact C-N 3.35Å; L302-R304 PolarHBondContact O-N 3.1Å; L302-E305 PolarHBondContact O-N 3.37Å; L302-H306 PolarHBondContact O-CD2 2.99Å; L302-H306 VanDerWaalsContact O-CD2 3.29Å; L302-H306 PolarHBondContact O-N 3.14Å |
| 303 | L | 85.4 | Confident | 82.6 | Confident | 16 Ų | 16 | 84.9 Ų | 84.9 | 8% | 0.084 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63 | -40 | 175 | -70.8 | 173.8 | 0 | 0 | 0 | 111.5 | V299 D300 R301 G307 L308 F311 I312 | V299-L303 HydrophobicContact CG1-CD1 3.88Å; V299-L303 HydrophobicContact CG1-CG 4.29Å; V299-L303 WeakPolarHBondContact O-CB 3.23Å; V299-L303 VanDerWaalsContact O-CG 3.24Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.46Å; D300-L303 PolarHBondContact O-N 3.15Å; R301-L303 VanDerWaalsContact C-N 3.3Å; R301-L303 PolarHBondContact O-N 3.36Å; L303-G307 PolarHBondContact O-N 3.24Å; L303-L308 HydrophobicContact CB-CB 4.34Å; L303-L308 HydrophobicContact CD2-CB 3.73Å; L303-L308 HydrophobicContact CD2-CD1 4.09Å; L303-L308 CarbonylContact O-C 3.57Å; L303-L308 WeakPolarHBondContact O-CA 3.32Å; L303-L308 PolarHBondContact O-N 2.56Å; L303-F311 HydrophobicContact CD1-CB 4.07Å; L303-F311 HydrophobicContact CD2-CB 4.23Å; L303-I312 HydrophobicContact CB-CD1 4.32Å; L303-I312 HydrophobicContact CB-CG1 4.03Å; L303-I312 HydrophobicContact CD1-CG1 3.96Å |
| 304 | R | 87.1 | Confident | 82.2 | Confident | 139 Ų | 139 | 83.2 Ų | 83.2 | 53% | 0.525 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 173.7 | -67.1 | -177.6 | -168.5 | -97.4 | 2.2 | 112.5 | D300 R301 L302 H306 G307 E309 I312 | D300-R304 WeakPolarHBondContact O-CG 3.34Å; D300-R304 PolarHBondContact O-N 3.48Å; R301-R304 PolarHBondContact O-N 3.3Å; R301-R304 VanDerWaalsContact O-N 3.15Å; L302-R304 VanDerWaalsContact C-N 3.35Å; L302-R304 PolarHBondContact O-N 3.1Å; R304-H306 PolarHBondContact O-N 2.72Å; R304-G307 PolarHBondContact O-N 3.27Å; R304-E309 HydrophobicContact CB-CG 4.44Å; R304-E309 HydrophobicContact CG-CG 4.05Å; R304-E309 WeakPolarHBondContact CG-OE1 3.33Å; R304-E309 IonicContact NH1-OE1 3.08Å; R304-E309 PolarHBondContact NH1-OE1 3.17Å; R304-I312 HydrophobicContact CG-CD1 3.64Å |
| 305 | E | 85.1 | Confident | 81.7 | Confident | 113 Ų | 113 | 89.7 Ų | 89.7 | 53% | 0.528 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.1 | -33.8 | -179.6 | -74.7 | -179 | -174 | 0 | 0 | 111.9 | R301 L302 | R301-E305 IonicContact CZ-OE1 3.76Å; R301-E305 IonicContact NE-OE1 3.68Å; R301-E305 PolarHBondContact NE-OE1 3.48Å; R301-E305 IonicContact NH2-OE1 3.47Å; R301-E305 PolarHBondContact NH2-OE1 3.02Å; R301-E305 VanDerWaalsContact NH2-OE1 3.1Å; R301-E305 WeakPolarHBondContact O-CG 3.32Å; R301-E305 PolarHBondContact O-N 3Å; L302-E305 PolarHBondContact O-N 3.37Å |
| 306 | H | 85.1 | Confident | 80.6 | Confident | 128 Ų | 128 | 95.8 Ų | 95.8 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 7 | 177.2 | -70 | -61.8 | 0 | 0 | 0 | 115.1 | L302 R304 L308 | L302-H306 PolarHBondContact O-CD2 2.99Å; L302-H306 VanDerWaalsContact O-CD2 3.29Å; L302-H306 PolarHBondContact O-N 3.14Å; R304-H306 PolarHBondContact O-N 2.72Å; H306-L308 VanDerWaalsContact C-N 3.3Å; H306-L308 HydrophobicContact CB-CD1 4.28Å; H306-L308 HydrophobicContact CB-CG 4.37Å; H306-L308 PolarHBondContact O-N 3Å |
| 307 | G | 80 | Confident | 80.5 | Confident | 62 Ų | 62 | 94.9 Ų | 94.9 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 25.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L303 R304 | L303-G307 PolarHBondContact O-N 3.24Å; R304-G307 PolarHBondContact O-N 3.27Å |
| 308 | L | 82.1 | Confident | 80.3 | Confident | 76 Ų | 76 | 94.7 Ų | 94.7 | 40% | 0.398 | 49% | 0.491 | S | S | . | . | trans | -101.9 | 30.4 | -180 | -63.9 | 175.9 | 0 | 0 | 0 | 112.1 | L303 H306 S310 F311 | L303-L308 HydrophobicContact CB-CB 4.34Å; L303-L308 HydrophobicContact CD2-CB 3.73Å; L303-L308 HydrophobicContact CD2-CD1 4.09Å; L303-L308 CarbonylContact O-C 3.57Å; L303-L308 WeakPolarHBondContact O-CA 3.32Å; L303-L308 PolarHBondContact O-N 2.56Å; H306-L308 VanDerWaalsContact C-N 3.3Å; H306-L308 HydrophobicContact CB-CD1 4.28Å; H306-L308 HydrophobicContact CB-CG 4.37Å; H306-L308 PolarHBondContact O-N 3Å; L308-S310 PolarHBondContact O-N 3.47Å; L308-F311 HydrophobicContact CB-CD2 4.02Å; L308-F311 HydrophobicContact CD2-CD2 4.33Å; L308-F311 HydrophobicContact CD2-CE2 4.1Å; L308-F311 PolarHBondContact O-N 2.73Å | ||
| 309 | E | 81.7 | Confident | 80 | Confident | 104 Ų | 104 | 97.8 Ų | 97.8 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -57.3 | -23.7 | -175.9 | -55.7 | -159.4 | 147 | 0 | 0 | 113.8 | R304 F311 I312 | R304-E309 HydrophobicContact CB-CG 4.44Å; R304-E309 HydrophobicContact CG-CG 4.05Å; R304-E309 WeakPolarHBondContact CG-OE1 3.33Å; R304-E309 IonicContact NH1-OE1 3.08Å; R304-E309 PolarHBondContact NH1-OE1 3.17Å; E309-F311 PolarHBondContact O-N 3.35Å; E309-F311 VanDerWaalsContact O-N 3.12Å; E309-I312 HydrophobicContact CB-CD1 4.37Å; E309-I312 WeakPolarHBondContact O-CB 3.36Å; E309-I312 PolarHBondContact O-N 3.25Å; E309-I312 VanDerWaalsContact O-N 3.13Å |
| 310 | S | 78.8 | Confident | 79.7 | Confident | 109 Ų | 109 | 102.9 Ų | 102.9 | 76% | 0.762 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -62 | -16.4 | 176.1 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | L308 | L308-S310 PolarHBondContact O-N 3.47Š|
| 311 | F | 76.5 | Confident | 79.3 | Confident | 134 Ų | 134 | 107.4 Ų | 107.4 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -93.2 | -11 | 178.7 | -68.8 | -84.2 | 0 | 0 | 0 | 113.6 | L303 L308 E309 K313 | L303-F311 HydrophobicContact CD1-CB 4.07Å; L303-F311 HydrophobicContact CD2-CB 4.23Å; L308-F311 HydrophobicContact CB-CD2 4.02Å; L308-F311 HydrophobicContact CD2-CD2 4.33Å; L308-F311 HydrophobicContact CD2-CE2 4.1Å; L308-F311 PolarHBondContact O-N 2.73Å; E309-F311 PolarHBondContact O-N 3.35Å; E309-F311 VanDerWaalsContact O-N 3.12Å; F311-K313 PolarHBondContact O-N 3.41Å |
| 312 | I | 78.8 | Confident | 78.8 | Confident | 30 Ų | 30 | 104.6 Ų | 104.6 | 15% | 0.154 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -69.2 | 123.5 | 176.9 | -62.3 | 173.3 | 0 | 0 | 0 | 107.9 | D300 L303 R304 E309 | D300-I312 HydrophobicContact CB-CD1 4.43Å; L303-I312 HydrophobicContact CB-CD1 4.32Å; L303-I312 HydrophobicContact CB-CG1 4.03Å; L303-I312 HydrophobicContact CD1-CG1 3.96Å; R304-I312 HydrophobicContact CG-CD1 3.64Å; E309-I312 HydrophobicContact CB-CD1 4.37Å; E309-I312 WeakPolarHBondContact O-CB 3.36Å; E309-I312 PolarHBondContact O-N 3.25Å; E309-I312 VanDerWaalsContact O-N 3.13Å |
| 313 | K | 74.5 | Confident | 78.3 | Confident | 167 Ų | 167 | 110.6 Ų | 110.6 | 73% | 0.726 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 133.5 | 175.6 | -73 | 178.8 | -177.3 | 169.4 | 0 | 108.7 | F311 K315 | F311-K313 PolarHBondContact O-N 3.41Å; K313-K315 PolarHBondContact O-N 2.81Å; K313-K315 VanDerWaalsContact O-N 3.14Å |
| 314 | P | 70 | Confident | 77.8 | Confident | 124 Ų | 124 | 117.9 Ų | 117.9 | 81% | 0.805 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.2 | 170.3 | 24.4 | -30.9 | 0 | 0 | 0 | 108.7 | ||
| 315 | K | 70.4 | Confident | 77 | Confident | 148 Ų | 148 | 116.2 Ų | 116.2 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 137.9 | 171.4 | -78.3 | 179.9 | 179.1 | 176.4 | 0 | 108.1 | D297 K313 | D297-K315 IonicContact OD1-NZ 3.83Å; D297-K315 PolarHBondContact OD1-NZ 3.33Å; K313-K315 PolarHBondContact O-N 2.81Å; K313-K315 VanDerWaalsContact O-N 3.14Å |
| 316 | P | 61.3 | Low | 76.3 | Confident | 199 Ų | 199 | 116.5 Ų | 116.5 | 100% | 1.292 | 64% | 0.644 | S | S | * | * | trans | -61 | 0 | -176.8 | 27.2 | -35.6 | 0 | 0 | 0 | 112.9 |
Retrieved 316 of 316 residues in 113.9 ms
(Link to these results)