| 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 | R | 41.8 | Very low | 48.3 | Very low | 279 Ų | 279 | 153.2 Ų | 153.2 | 100% | 1.053 | 70% | 0.702 | S | S | * | * | 0 | 58.1 | 0 | -155.7 | 179 | -157 | 167.1 | 5.6 | 109.1 | E3 | R1-E3 VanDerWaalsContact C-N 3.26Å; R1-E3 PolarHBondContact O-N 2.86Å | |||
| 2 | M | 39.7 | Very low | 50.5 | Low | 184 Ų | 184 | 149.3 Ų | 149.3 | 91% | 0.906 | 70% | 0.704 | S | S | * | * | trans | -98.8 | 58.5 | 173.1 | -68 | -176.1 | -163.6 | 0 | 0 | 107.2 | T4 | M2-T4 PolarHBondContact O-N 3.34Š| ||
| 3 | E | 43.1 | Very low | 52.8 | Low | 160 Ų | 160 | 140.9 Ų | 140.9 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -77.7 | 56.2 | 167.1 | -68.5 | 175.6 | 143.1 | 0 | 0 | 107.8 | R1 Q5 | R1-E3 VanDerWaalsContact C-N 3.26Å; R1-E3 PolarHBondContact O-N 2.86Å; E3-Q5 VanDerWaalsContact C-N 3.3Å; E3-Q5 PolarHBondContact O-N 3.47Å | ||
| 4 | T | 43.8 | Very low | 54.7 | Low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 64% | 0.639 | S | S | * | * | trans | -73.7 | 99.7 | 164.3 | -41.5 | 0 | 0 | 0 | 0 | 104.7 | M2 R6 | M2-T4 PolarHBondContact O-N 3.34Å; T4-R6 PolarHBondContact O-N 3Å | ||
| 5 | Q | 42.6 | Very low | 56.7 | Low | 145 Ų | 145 | 127.7 Ų | 127.7 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | trans | -48.7 | 98.5 | 173.8 | -64.6 | -157.3 | -17.4 | 0 | 0 | 110.2 | E3 K7 | E3-Q5 VanDerWaalsContact C-N 3.3Å; E3-Q5 PolarHBondContact O-N 3.47Å; Q5-K7 HydrophobicContact CB-CG 4.48Å; Q5-K7 PolarHBondContact O-N 2.96Å | ||
| 6 | R | 43.4 | Very low | 58.5 | Low | 177 Ų | 177 | 123.9 Ų | 123.9 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | trans | -68.7 | 73.1 | 148.6 | -162.2 | 175.1 | -172.1 | 169.1 | 6.9 | 104.9 | T4 K8 D251 Y253 | T4-R6 PolarHBondContact O-N 3Å; R6-K8 VanDerWaalsContact C-N 3.29Å; R6-K8 PolarHBondContact O-N 3.2Å; R6-D251 PolarHBondContact NH1-O 3.37Å; R6-D251 PolarHBondContact NH2-O 3.08Å; R6-Y253 PolarHBondContact NH2-OXT 3.46Å | ||
| 7 | K | 43.6 | Very low | 60.1 | Low | 158 Ų | 158 | 118.5 Ų | 118.5 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | trans | -50.3 | 106.4 | 160 | -98 | 179.9 | 176.8 | 176.4 | 0 | 103.7 | Q5 K9 | Q5-K7 HydrophobicContact CB-CG 4.48Å; Q5-K7 PolarHBondContact O-N 2.96Å; K7-K9 PolarHBondContact O-N 2.97Å | ||
| 8 | K | 51.5 | Low | 61.6 | Low | 120 Ų | 120 | 113.2 Ų | 113.2 | 52% | 0.522 | 56% | 0.556 | S | S | . | * | trans | -48.9 | 96.3 | 162.2 | -90.9 | 180 | 175.1 | 175 | 0 | 105.3 | R6 N10 E86 | R6-K8 VanDerWaalsContact C-N 3.29Å; R6-K8 PolarHBondContact O-N 3.2Å; K8-N10 PolarHBondContact O-N 2.85Å; K8-E86 IonicContact NZ-OE2 2.63Å; K8-E86 PolarHBondContact NZ-OE2 2.81Å | ||
| 9 | K | 48.6 | Very low | 63 | Low | 189 Ų | 189 | 116.2 Ų | 116.2 | 82% | 0.822 | 56% | 0.562 | S | S | * | * | trans | -74.4 | 71.6 | 168.6 | -95.6 | -173.9 | 174.3 | -179.8 | 0 | 104.7 | K7 T11 | K7-K9 PolarHBondContact O-N 2.97Å; K9-T11 PolarHBondContact O-N 2.73Å | ||
| 10 | N | 59.8 | Low | 64.3 | Low | 46 Ų | 46 | 114.5 Ų | 114.5 | 25% | 0.246 | 56% | 0.555 | C | S | . | * | trans | -60.9 | 109.4 | 167 | -67.1 | -24.4 | 0 | 0 | 0 | 105.1 | K8 I15 | K8-N10 PolarHBondContact O-N 2.85Å; N10-I15 HydrophobicContact CB-CD1 3.89Å; N10-I15 HydrophobicContact CB-CG1 3.54Å | ||
| 11 | T | 73.6 | Confident | 65.5 | Low | 101 Ų | 101 | 109 Ų | 109 | 62% | 0.62 | 53% | 0.529 | S | S | * | . | trans | -53.3 | 145.4 | 172.1 | -47 | 0 | 0 | 0 | 0 | 108.3 | K9 G13 T14 I15 | K9-T11 PolarHBondContact O-N 2.73Å; T11-G13 PolarHBondContact O-N 2.97Å; T11-T14 PolarHBondContact O-N 2.86Å; T11-I15 PolarHBondContact O-N 2.82Å | ||
| 12 | C | 74.6 | Confident | 67.9 | Low | 107 Ų | 107 | 99 Ų | 99 | 72% | 0.723 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -48.5 | -35.5 | 178.1 | -173.4 | 0 | 0 | 0 | 0 | 112 | I15 C16 | C12-I15 PolarHBondContact O-N 2.8Å; C12-C16 WeakPolarHBondContact O-CB 3.26Å; C12-C16 PolarHBondContact O-N 3.03Å |
| 13 | G | 79.9 | Confident | 70.3 | Confident | 40 Ų | 40 | 95.3 Ų | 95.3 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T11 I15 C16 L17 | T11-G13 PolarHBondContact O-N 2.97Å; G13-I15 VanDerWaalsContact C-N 3.33Å; G13-I15 PolarHBondContact O-N 3.45Å; G13-C16 PolarHBondContact O-N 3.32Å; G13-L17 WeakPolarHBondContact O-CB 3.37Å; G13-L17 VanDerWaalsContact O-CG 3.26Å; G13-L17 WeakPolarHBondContact O-CG 3.38Å; G13-L17 PolarHBondContact O-N 3.33Å |
| 14 | T | 80.3 | Confident | 72.6 | Confident | 14 Ų | 14 | 89.6 Ų | 89.6 | 9% | 0.086 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 178.5 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | T11 K18 L244 N247 | T11-T14 PolarHBondContact O-N 2.86Å; T14-K18 VanDerWaalsContact O-CG 3.3Å; T14-K18 WeakPolarHBondContact O-CG 3.49Å; T14-K18 PolarHBondContact O-N 3.41Å; T14-K18 VanDerWaalsContact O-N 3.09Å; T14-L244 HydrophobicContact CG2-CD1 4.03Å; T14-N247 HydrophobicContact CG2-CB 4.4Å |
| 15 | I | 83.6 | Confident | 74.9 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 36% | 0.359 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -49.1 | 174.4 | -59.9 | 178.3 | 0 | 0 | 0 | 109.8 | N10 T11 C12 G13 L17 K18 Y19 | N10-I15 HydrophobicContact CB-CD1 3.89Å; N10-I15 HydrophobicContact CB-CG1 3.54Å; T11-I15 PolarHBondContact O-N 2.82Å; C12-I15 PolarHBondContact O-N 2.8Å; G13-I15 VanDerWaalsContact C-N 3.33Å; G13-I15 PolarHBondContact O-N 3.45Å; I15-L17 PolarHBondContact O-N 3.2Å; I15-K18 PolarHBondContact O-N 3.46Å; I15-Y19 HydrophobicContact CG2-CD2 3.75Å; I15-Y19 HydrophobicContact CG2-CE2 3.47Å; I15-Y19 VanDerWaalsContact CG2-CE2 3.47Å; I15-Y19 WeakPolarHBondContact O-CD2 3.4Å; I15-Y19 PolarHBondContact O-N 3.3Å; I15-Y19 VanDerWaalsContact O-N 3.11Å |
| 16 | C | 86.2 | Confident | 77.3 | Confident | 66 Ų | 66 | 79.1 Ų | 79.1 | 45% | 0.446 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 112 | C12 G13 K18 Y19 L20 | C12-C16 WeakPolarHBondContact O-CB 3.26Å; C12-C16 PolarHBondContact O-N 3.03Å; G13-C16 PolarHBondContact O-N 3.32Å; C16-K18 VanDerWaalsContact C-N 3.31Å; C16-K18 PolarHBondContact O-N 3.03Å; C16-Y19 PolarHBondContact O-N 3.31Å; C16-L20 WeakPolarHBondContact O-CG 3.32Å; C16-L20 PolarHBondContact O-N 3.2Å |
| 17 | L | 85.8 | Confident | 79.6 | Confident | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.8 | -40.9 | 176.7 | -76.2 | 169.5 | 0 | 0 | 0 | 112.4 | G13 I15 L21 F240 C243 | G13-L17 WeakPolarHBondContact O-CB 3.37Å; G13-L17 VanDerWaalsContact O-CG 3.26Å; G13-L17 WeakPolarHBondContact O-CG 3.38Å; G13-L17 PolarHBondContact O-N 3.33Å; I15-L17 PolarHBondContact O-N 3.2Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.33Å; L17-F240 HydrophobicContact CD2-CB 4.38Å; L17-F240 HydrophobicContact CD2-CD1 3.6Å; L17-F240 HydrophobicContact CD2-CE1 4Å; L17-F240 HydrophobicContact CD2-CG 4Å; L17-C243 HydrophobicContact CD1-CB 4.25Å |
| 18 | K | 87.1 | Confident | 81.9 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 10% | 0.1 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.3 | -76.8 | 173.8 | 179.4 | 177.3 | 0 | 111.8 | T14 I15 C16 L21 F22 T83 E86 L244 | T14-K18 VanDerWaalsContact O-CG 3.3Å; T14-K18 WeakPolarHBondContact O-CG 3.49Å; T14-K18 PolarHBondContact O-N 3.41Å; T14-K18 VanDerWaalsContact O-N 3.09Å; I15-K18 PolarHBondContact O-N 3.46Å; C16-K18 VanDerWaalsContact C-N 3.31Å; C16-K18 PolarHBondContact O-N 3.03Å; K18-L21 PolarHBondContact O-N 3.28Å; K18-F22 VanDerWaalsContact O-CB 3.24Å; K18-F22 WeakPolarHBondContact O-CB 3.19Å; K18-F22 PolarHBondContact O-N 3.21Å; K18-T83 HydrophobicContact CB-CG2 4.23Å; K18-T83 HydrophobicContact CG-CG2 4.38Å; K18-T83 WeakPolarHBondContact O-CG2 3.37Å; K18-E86 IonicContact NZ-OE1 2.64Å; K18-E86 PolarHBondContact NZ-OE1 2.89Å; K18-E86 IonicContact NZ-OE2 3.62Å; K18-L244 HydrophobicContact CD-CD1 4.38Å; K18-L244 HydrophobicContact CG-CD1 3.81Å; K18-L244 HydrophobicContact CG-CD2 4.17Å |
| 19 | Y | 88.8 | Confident | 84 | Confident | 171 Ų | 171 | 67.5 Ų | 67.5 | 67% | 0.671 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 178.8 | -77.2 | -68.6 | 0 | 0 | 0 | 112.3 | I15 C16 F22 L23 | I15-Y19 HydrophobicContact CG2-CD2 3.75Å; I15-Y19 HydrophobicContact CG2-CE2 3.47Å; I15-Y19 VanDerWaalsContact CG2-CE2 3.47Å; I15-Y19 WeakPolarHBondContact O-CD2 3.4Å; I15-Y19 PolarHBondContact O-N 3.3Å; I15-Y19 VanDerWaalsContact O-N 3.11Å; C16-Y19 PolarHBondContact O-N 3.31Å; Y19-F22 PolarHBondContact O-N 3.34Å; Y19-L23 VanDerWaalsContact O-CB 3.31Å; Y19-L23 WeakPolarHBondContact O-CB 3.45Å; Y19-L23 PolarHBondContact O-N 3.4Å |
| 20 | L | 88.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 42% | 0.424 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 175.9 | -71.1 | 173.7 | 0 | 0 | 0 | 111.7 | C16 F22 L23 F24 | C16-L20 WeakPolarHBondContact O-CG 3.32Å; C16-L20 PolarHBondContact O-N 3.2Å; L20-F22 PolarHBondContact O-N 2.9Å; L20-L23 PolarHBondContact O-N 3.01Å; L20-F24 WeakPolarHBondContact O-CB 3.49Å; L20-F24 PolarHBondContact O-N 3.2Å |
| 21 | L | 89.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176 | -84.1 | 170.8 | 0 | 0 | 0 | 112.3 | L17 K18 N25 T83 F240 L244 | L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.33Å; K18-L21 PolarHBondContact O-N 3.28Å; L21-N25 WeakPolarHBondContact O-CB 3.45Å; L21-N25 PolarHBondContact O-N 3.47Å; L21-N25 PolarHBondContact O-ND2 2.93Å; L21-T83 HydrophobicContact CB-CG2 4.28Å; L21-F240 HydrophobicContact CD1-CB 3.88Å; L21-F240 HydrophobicContact CD2-CB 3.59Å; L21-F240 HydrophobicContact CD2-CD2 4.38Å; L21-F240 HydrophobicContact CG-CB 3.69Å; L21-F240 HydrophobicContact CG-CD2 4.46Å; L21-L244 HydrophobicContact CD1-CB 4.24Å; L21-L244 HydrophobicContact CD1-CD2 3.83Å |
| 22 | F | 91.6 | Very high | 88.9 | Confident | 69 Ų | 69 | 59 Ų | 59 | 30% | 0.303 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 178.6 | -178.4 | -103.8 | 0 | 0 | 0 | 111.3 | K18 Y19 L20 F24 N25 I26 C80 T83 L84 | K18-F22 VanDerWaalsContact O-CB 3.24Å; K18-F22 WeakPolarHBondContact O-CB 3.19Å; K18-F22 PolarHBondContact O-N 3.21Å; Y19-F22 PolarHBondContact O-N 3.34Å; L20-F22 PolarHBondContact O-N 2.9Å; F22-F24 VanDerWaalsContact C-N 3.33Å; F22-F24 PolarHBondContact O-N 3.09Å; F22-N25 PolarHBondContact O-N 3.11Å; F22-I26 HydrophobicContact CD1-CG1 4.37Å; F22-I26 HydrophobicContact CE1-CD1 4.49Å; F22-I26 HydrophobicContact CE1-CG1 3.95Å; F22-I26 HydrophobicContact CE2-CD1 4.4Å; F22-I26 HydrophobicContact CE2-CG1 4.32Å; F22-I26 HydrophobicContact CZ-CD1 4.02Å; F22-I26 HydrophobicContact CZ-CG1 3.93Å; F22-I26 WeakPolarHBondContact O-CG1 3.3Å; F22-I26 PolarHBondContact O-N 2.91Å; F22-C80 HydrophobicContact CD2-CB 4.35Å; F22-C80 HydrophobicContact CE2-CB 4.07Å; F22-T83 HydrophobicContact CB-CG2 4.25Å; F22-L84 HydrophobicContact CD2-CD1 4.48Å; F22-L84 HydrophobicContact CD2-CD2 4.15Å; F22-L84 HydrophobicContact CD2-CG 4.12Å; F22-L84 HydrophobicContact CE2-CD1 3.8Å; F22-L84 HydrophobicContact CE2-CD2 4.03Å; F22-L84 HydrophobicContact CE2-CG 3.93Å |
| 23 | L | 91.6 | Very high | 89.9 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 56% | 0.56 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 176.6 | 179.4 | 62.9 | 0 | 0 | 0 | 111.3 | Y19 L20 N25 I26 C27 | Y19-L23 VanDerWaalsContact O-CB 3.31Å; Y19-L23 WeakPolarHBondContact O-CB 3.45Å; Y19-L23 PolarHBondContact O-N 3.4Å; L20-L23 PolarHBondContact O-N 3.01Å; L23-N25 VanDerWaalsContact C-N 3.34Å; L23-N25 PolarHBondContact O-N 3.24Å; L23-I26 PolarHBondContact O-N 3.47Å; L23-C27 PolarHBondContact O-N 3.08Å; L23-C27 PolarHBondContact O-SG 3.21Å; L23-C27 VanDerWaalsContact O-SG 3.36Å |
| 24 | F | 89.8 | Confident | 90.7 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 17% | 0.171 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.9 | -49.2 | 175.6 | 179 | -97.6 | 0 | 0 | 0 | 111.5 | L20 F22 I26 C27 F28 L233 | L20-F24 WeakPolarHBondContact O-CB 3.49Å; L20-F24 PolarHBondContact O-N 3.2Å; F22-F24 VanDerWaalsContact C-N 3.33Å; F22-F24 PolarHBondContact O-N 3.09Å; F24-I26 VanDerWaalsContact C-N 3.34Å; F24-I26 PolarHBondContact O-N 2.94Å; F24-C27 WeakPolarHBondContact O-CB 3.44Å; F24-C27 PolarHBondContact O-N 3.31Å; F24-F28 HydrophobicContact CD1-CD2 4.08Å; F24-F28 HydrophobicContact CD1-CE2 4.17Å; F24-F28 HydrophobicContact CD2-CD2 4.23Å; F24-F28 AromaticContact CD2-CE2 3.84Å; F24-F28 HydrophobicContact CD2-CE2 3.84Å; F24-F28 AromaticContact CE1-CD2 3.82Å; F24-F28 HydrophobicContact CE1-CD2 3.82Å; F24-F28 AromaticContact CE1-CE2 3.58Å; F24-F28 HydrophobicContact CE1-CE2 3.58Å; F24-F28 HydrophobicContact CE1-CZ 4.05Å; F24-F28 HydrophobicContact CE2-CD2 4Å; F24-F28 AromaticContact CE2-CE2 3.22Å; F24-F28 HydrophobicContact CE2-CE2 3.22Å; F24-F28 AromaticContact CE2-CZ 3.92Å; F24-F28 HydrophobicContact CE2-CZ 3.92Å; F24-F28 HydrophobicContact CG-CD2 4.29Å; F24-F28 HydrophobicContact CG-CE2 4.29Å; F24-F28 AromaticContact CZ-CD2 3.8Å; F24-F28 HydrophobicContact CZ-CD2 3.8Å; F24-F28 HydrophobicContact CZ-CE1 4.41Å; F24-F28 AromaticContact CZ-CE2 3.06Å; F24-F28 HydrophobicContact CZ-CE2 3.06Å; F24-F28 AromaticContact CZ-CZ 3.42Å; F24-F28 HydrophobicContact CZ-CZ 3.42Å; F24-F28 VanDerWaalsContact CZ-CZ 3.42Å; F24-F28 VanDerWaalsContact O-CD2 3.29Å; F24-F28 WeakPolarHBondContact O-CD2 3.36Å; F24-F28 PolarHBondContact O-N 2.64Å; F24-L233 HydrophobicContact CE2-CB 4Å; F24-L233 HydrophobicContact CE2-CD2 4.34Å; F24-L233 HydrophobicContact CZ-CB 4.25Å; F24-L233 WeakPolarHBondContact CZ-O 3.36Å |
| 25 | N | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -33.1 | 179.7 | -80.5 | -69 | 0 | 0 | 0 | 113.6 | L21 F22 L23 F28 W29 G79 C80 Y94 | L21-N25 WeakPolarHBondContact O-CB 3.45Å; L21-N25 PolarHBondContact O-N 3.47Å; L21-N25 PolarHBondContact O-ND2 2.93Å; F22-N25 PolarHBondContact O-N 3.11Å; L23-N25 VanDerWaalsContact C-N 3.34Å; L23-N25 PolarHBondContact O-N 3.24Å; N25-F28 PolarHBondContact O-N 2.9Å; N25-W29 WeakPolarHBondContact O-CB 3.23Å; N25-W29 PolarHBondContact O-N 2.93Å; N25-G79 WeakPolarHBondContact OD1-CA 3.44Å; N25-C80 VanDerWaalsContact CB-SG 3.53Å; N25-Y94 PolarHBondContact ND2-OH 2.63Å; N25-Y94 WeakPolarHBondContact OD1-CE2 3.42Å; N25-Y94 PolarHBondContact OD1-OH 3.26Å |
| 26 | I | 93.8 | Very high | 92 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.256 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 172.6 | -69.7 | -67.5 | 0 | 0 | 0 | 110.8 | F22 L23 F24 F28 W29 L30 | F22-I26 HydrophobicContact CD1-CG1 4.37Å; F22-I26 HydrophobicContact CE1-CD1 4.49Å; F22-I26 HydrophobicContact CE1-CG1 3.95Å; F22-I26 HydrophobicContact CE2-CD1 4.4Å; F22-I26 HydrophobicContact CE2-CG1 4.32Å; F22-I26 HydrophobicContact CZ-CD1 4.02Å; F22-I26 HydrophobicContact CZ-CG1 3.93Å; F22-I26 WeakPolarHBondContact O-CG1 3.3Å; F22-I26 PolarHBondContact O-N 2.91Å; L23-I26 PolarHBondContact O-N 3.47Å; F24-I26 VanDerWaalsContact C-N 3.34Å; F24-I26 PolarHBondContact O-N 2.94Å; I26-F28 VanDerWaalsContact C-N 3.32Å; I26-F28 PolarHBondContact O-N 3.4Å; I26-W29 PolarHBondContact O-N 3.45Å; I26-L30 HydrophobicContact CG2-CD1 4.1Å; I26-L30 HydrophobicContact CG2-CG 4.47Å; I26-L30 WeakPolarHBondContact O-CG 3.48Å; I26-L30 PolarHBondContact O-N 3.19Å |
| 27 | C | 92 | Very high | 92.5 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 48% | 0.48 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 175.1 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | L23 F24 L30 A31 | L23-C27 PolarHBondContact O-N 3.08Å; L23-C27 PolarHBondContact O-SG 3.21Å; L23-C27 VanDerWaalsContact O-SG 3.36Å; F24-C27 WeakPolarHBondContact O-CB 3.44Å; F24-C27 PolarHBondContact O-N 3.31Å; C27-L30 PolarHBondContact O-N 3.49Å; C27-A31 VanDerWaalsContact O-CB 3.31Å; C27-A31 WeakPolarHBondContact O-CB 3.48Å; C27-A31 PolarHBondContact O-N 3.34Å |
| 28 | F | 90.7 | Very high | 92.8 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.9 | -88.8 | -106.8 | 0 | 0 | 0 | 112.2 | F24 N25 I26 A31 G32 V72 | F24-F28 HydrophobicContact CD1-CD2 4.08Å; F24-F28 HydrophobicContact CD1-CE2 4.17Å; F24-F28 HydrophobicContact CD2-CD2 4.23Å; F24-F28 AromaticContact CD2-CE2 3.84Å; F24-F28 HydrophobicContact CD2-CE2 3.84Å; F24-F28 AromaticContact CE1-CD2 3.82Å; F24-F28 HydrophobicContact CE1-CD2 3.82Å; F24-F28 AromaticContact CE1-CE2 3.58Å; F24-F28 HydrophobicContact CE1-CE2 3.58Å; F24-F28 HydrophobicContact CE1-CZ 4.05Å; F24-F28 HydrophobicContact CE2-CD2 4Å; F24-F28 AromaticContact CE2-CE2 3.22Å; F24-F28 HydrophobicContact CE2-CE2 3.22Å; F24-F28 AromaticContact CE2-CZ 3.92Å; F24-F28 HydrophobicContact CE2-CZ 3.92Å; F24-F28 HydrophobicContact CG-CD2 4.29Å; F24-F28 HydrophobicContact CG-CE2 4.29Å; F24-F28 AromaticContact CZ-CD2 3.8Å; F24-F28 HydrophobicContact CZ-CD2 3.8Å; F24-F28 HydrophobicContact CZ-CE1 4.41Å; F24-F28 AromaticContact CZ-CE2 3.06Å; F24-F28 HydrophobicContact CZ-CE2 3.06Å; F24-F28 AromaticContact CZ-CZ 3.42Å; F24-F28 HydrophobicContact CZ-CZ 3.42Å; F24-F28 VanDerWaalsContact CZ-CZ 3.42Å; F24-F28 VanDerWaalsContact O-CD2 3.29Å; F24-F28 WeakPolarHBondContact O-CD2 3.36Å; F24-F28 PolarHBondContact O-N 2.64Å; N25-F28 PolarHBondContact O-N 2.9Å; I26-F28 VanDerWaalsContact C-N 3.32Å; I26-F28 PolarHBondContact O-N 3.4Å; F28-A31 PolarHBondContact O-N 3.38Å; F28-G32 PolarHBondContact O-N 3.4Å; F28-V72 HydrophobicContact CD1-CG1 4.22Å; F28-V72 WeakPolarHBondContact O-CG1 3.44Å |
| 29 | W | 94.9 | Very high | 93 | Very high | 104 Ų | 104 | 58 Ų | 58 | 39% | 0.394 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 176.6 | 176.3 | 67.6 | 0 | 0 | 0 | 112.1 | N25 I26 G32 G33 T73 I77 | N25-W29 WeakPolarHBondContact O-CB 3.23Å; N25-W29 PolarHBondContact O-N 2.93Å; I26-W29 PolarHBondContact O-N 3.45Å; W29-G32 PolarHBondContact O-N 3.49Å; W29-G33 PolarHBondContact O-N 2.94Å; W29-T73 VanDerWaalsContact CD1-CG2 3.48Å; W29-I77 VanDerWaalsContact CD1-CG1 3.48Å; W29-I77 HydrophobicContact CG-CG1 4.44Å |
| 30 | L | 95.7 | Very high | 93.2 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 53% | 0.534 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.8 | -69 | 174.4 | 0 | 0 | 0 | 112 | I26 C27 G33 A34 | I26-L30 HydrophobicContact CG2-CD1 4.1Å; I26-L30 HydrophobicContact CG2-CG 4.47Å; I26-L30 WeakPolarHBondContact O-CG 3.48Å; I26-L30 PolarHBondContact O-N 3.19Å; C27-L30 PolarHBondContact O-N 3.49Å; L30-G33 PolarHBondContact O-N 2.88Å; L30-A34 PolarHBondContact O-N 3.36Å |
| 31 | A | 93.6 | Very high | 93.3 | Very high | 54 Ų | 54 | 58.3 Ų | 58.3 | 45% | 0.446 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C27 F28 G33 A34 V35 | C27-A31 VanDerWaalsContact O-CB 3.31Å; C27-A31 WeakPolarHBondContact O-CB 3.48Å; C27-A31 PolarHBondContact O-N 3.34Å; F28-A31 PolarHBondContact O-N 3.38Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 2.92Å; A31-A34 PolarHBondContact O-N 3.49Å; A31-V35 WeakPolarHBondContact O-CG2 3.21Å; A31-V35 PolarHBondContact O-N 2.92Å |
| 32 | G | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F28 W29 V35 L36 T73 | F28-G32 PolarHBondContact O-N 3.4Å; W29-G32 PolarHBondContact O-N 3.49Å; G32-V35 PolarHBondContact O-N 3.46Å; G32-L36 VanDerWaalsContact O-CB 3.31Å; G32-L36 WeakPolarHBondContact O-CB 3.31Å; G32-L36 PolarHBondContact O-N 3.33Å; G32-T73 WeakPolarHBondContact CA-OG1 3.23Å; G32-T73 PolarHBondContact O-OG1 3.2Å |
| 33 | G | 97 | Very high | 92.7 | Very high | 29 Ų | 29 | 60.1 Ų | 60.1 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W29 L30 A31 L36 A37 T73 | W29-G33 PolarHBondContact O-N 2.94Å; L30-G33 PolarHBondContact O-N 2.88Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 2.92Å; G33-L36 PolarHBondContact O-N 3.02Å; G33-A37 WeakPolarHBondContact O-CB 3.48Å; G33-A37 PolarHBondContact O-N 3.47Å; G33-T73 PolarHBondContact N-OG1 3.31Å |
| 34 | A | 96.9 | Very high | 92.3 | Very high | 57 Ų | 57 | 59 Ų | 59 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L30 A31 L36 A37 V38 | L30-A34 PolarHBondContact O-N 3.36Å; A31-A34 PolarHBondContact O-N 3.49Å; A34-L36 VanDerWaalsContact C-N 3.34Å; A34-L36 PolarHBondContact O-N 2.96Å; A34-A37 PolarHBondContact O-N 3.28Å; A34-V38 WeakPolarHBondContact O-CG2 3.47Å; A34-V38 PolarHBondContact O-N 3.41Å |
| 35 | V | 95.2 | Very high | 91.7 | Very high | 58 Ų | 58 | 61 Ų | 61 | 35% | 0.352 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | A31 G32 V38 G39 L65 | A31-V35 WeakPolarHBondContact O-CG2 3.21Å; A31-V35 PolarHBondContact O-N 2.92Å; G32-V35 PolarHBondContact O-N 3.46Å; V35-V38 PolarHBondContact O-N 2.86Å; V35-G39 PolarHBondContact O-N 3.17Å; V35-L65 HydrophobicContact CG1-CD2 4.24Å |
| 36 | L | 96.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.4 | 179.1 | 58.1 | 0 | 0 | 0 | 111.4 | G32 G33 A34 V38 G39 V40 I66 V70 | G32-L36 VanDerWaalsContact O-CB 3.31Å; G32-L36 WeakPolarHBondContact O-CB 3.31Å; G32-L36 PolarHBondContact O-N 3.33Å; G33-L36 PolarHBondContact O-N 3.02Å; A34-L36 VanDerWaalsContact C-N 3.34Å; A34-L36 PolarHBondContact O-N 2.96Å; L36-V38 PolarHBondContact O-N 2.9Å; L36-G39 PolarHBondContact O-N 3.05Å; L36-V40 HydrophobicContact CD1-CG2 4.19Å; L36-V40 WeakPolarHBondContact O-CG2 3.24Å; L36-V40 PolarHBondContact O-N 2.91Å; L36-I66 HydrophobicContact CD1-CB 4.23Å; L36-I66 HydrophobicContact CD1-CG1 4.4Å; L36-I66 HydrophobicContact CD1-CG2 3.77Å; L36-V70 HydrophobicContact CD1-CG2 3.83Å; L36-V70 HydrophobicContact CD2-CG2 4.16Å |
| 37 | A | 95.4 | Very high | 88.6 | Confident | 58 Ų | 58 | 65 Ų | 65 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G33 A34 V40 W41 | G33-A37 WeakPolarHBondContact O-CB 3.48Å; G33-A37 PolarHBondContact O-N 3.47Å; A34-A37 PolarHBondContact O-N 3.28Å; A37-V40 PolarHBondContact O-N 3.49Å; A37-W41 VanDerWaalsContact O-CB 3.25Å; A37-W41 WeakPolarHBondContact O-CB 3.44Å; A37-W41 PolarHBondContact O-N 3.14Å |
| 38 | V | 93.5 | Very high | 87 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A34 V35 L36 W41 T42 L65 | A34-V38 WeakPolarHBondContact O-CG2 3.47Å; A34-V38 PolarHBondContact O-N 3.41Å; V35-V38 PolarHBondContact O-N 2.86Å; L36-V38 PolarHBondContact O-N 2.9Å; V38-W41 PolarHBondContact O-N 3.39Å; V38-T42 WeakPolarHBondContact O-CB 3.37Å; V38-T42 PolarHBondContact O-N 2.78Å; V38-T42 PolarHBondContact O-OG1 3.22Å; V38-L65 HydrophobicContact CG1-CD1 4.49Å |
| 39 | G | 91.5 | Very high | 85 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V35 L36 T42 L43 | V35-G39 PolarHBondContact O-N 3.17Å; L36-G39 PolarHBondContact O-N 3.05Å; G39-T42 PolarHBondContact O-N 2.98Å; G39-L43 PolarHBondContact O-N 3.02Å; G39-L43 VanDerWaalsContact O-N 3.17Å |
| 40 | V | 91.4 | Very high | 82.7 | Confident | 68 Ų | 68 | 73 Ų | 73 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 111 | L36 A37 T42 L43 V44 I66 | L36-V40 HydrophobicContact CD1-CG2 4.19Å; L36-V40 WeakPolarHBondContact O-CG2 3.24Å; L36-V40 PolarHBondContact O-N 2.91Å; A37-V40 PolarHBondContact O-N 3.49Å; V40-T42 VanDerWaalsContact C-N 3.3Å; V40-T42 PolarHBondContact O-N 2.81Å; V40-L43 PolarHBondContact O-N 3Å; V40-V44 HydrophobicContact CG1-CG2 4.17Å; V40-V44 WeakPolarHBondContact O-CG2 3.44Å; V40-V44 PolarHBondContact O-N 3.2Å; V40-I66 HydrophobicContact CG2-CD1 4.25Å; V40-I66 HydrophobicContact CG2-CG1 4.17Å |
| 41 | W | 90.6 | Very high | 80.4 | Confident | 189 Ų | 189 | 73.8 Ų | 73.8 | 72% | 0.716 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -56.2 | -45.9 | 176.6 | -176 | -82.1 | 0 | 0 | 0 | 111.4 | A37 V38 L43 V44 D45 | A37-W41 VanDerWaalsContact O-CB 3.25Å; A37-W41 WeakPolarHBondContact O-CB 3.44Å; A37-W41 PolarHBondContact O-N 3.14Å; V38-W41 PolarHBondContact O-N 3.39Å; W41-L43 VanDerWaalsContact C-N 3.25Å; W41-L43 PolarHBondContact O-N 2.93Å; W41-V44 PolarHBondContact O-N 3.4Å; W41-D45 WeakPolarHBondContact O-CB 3.37Å; W41-D45 PolarHBondContact O-N 2.89Å |
| 42 | T | 85.9 | Confident | 78.2 | Confident | 51 Ų | 51 | 77.9 Ų | 77.9 | 31% | 0.313 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -35.6 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | V38 G39 V40 A62 | V38-T42 WeakPolarHBondContact O-CB 3.37Å; V38-T42 PolarHBondContact O-N 2.78Å; V38-T42 PolarHBondContact O-OG1 3.22Å; G39-T42 PolarHBondContact O-N 2.98Å; V40-T42 VanDerWaalsContact C-N 3.3Å; V40-T42 PolarHBondContact O-N 2.81Å; T42-A62 HydrophobicContact CG2-CB 3.99Å |
| 43 | L | 83.4 | Confident | 75.9 | Confident | 57 Ų | 57 | 82.1 Ų | 82.1 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -76.4 | -34.8 | 178.1 | -169.4 | 67.3 | 0 | 0 | 0 | 112.6 | G39 V40 W41 K46 A62 F63 I66 | G39-L43 PolarHBondContact O-N 3.02Å; G39-L43 VanDerWaalsContact O-N 3.17Å; V40-L43 PolarHBondContact O-N 3Å; W41-L43 VanDerWaalsContact C-N 3.25Å; W41-L43 PolarHBondContact O-N 2.93Å; L43-K46 WeakPolarHBondContact O-CB 3.39Å; L43-A62 HydrophobicContact CB-CB 4.4Å; L43-F63 HydrophobicContact CD1-CE2 4.44Å; L43-F63 HydrophobicContact CD1-CZ 4.4Å; L43-F63 HydrophobicContact CD2-CE1 4.37Å; L43-F63 HydrophobicContact CD2-CZ 4.43Å; L43-I66 HydrophobicContact CB-CD1 4.47Å; L43-I66 HydrophobicContact CD2-CD1 4.07Å |
| 44 | V | 83.7 | Confident | 73.7 | Confident | 83 Ų | 83 | 88.8 Ų | 88.8 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.9 | -41.7 | 178.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | V40 W41 K46 S47 | V40-V44 HydrophobicContact CG1-CG2 4.17Å; V40-V44 WeakPolarHBondContact O-CG2 3.44Å; V40-V44 PolarHBondContact O-N 3.2Å; W41-V44 PolarHBondContact O-N 3.4Å; V44-K46 PolarHBondContact O-N 3.07Å; V44-K46 VanDerWaalsContact O-N 3.12Å; V44-S47 WeakPolarHBondContact O-CB 3.45Å; V44-S47 PolarHBondContact O-N 3.39Å; V44-S47 PolarHBondContact O-OG 3.38Å |
| 45 | D | 77.3 | Confident | 71.9 | Confident | 81 Ų | 81 | 87.5 Ų | 87.5 | 43% | 0.433 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.1 | -30.3 | 175.9 | -165.4 | 57.1 | 0 | 0 | 0 | 111.3 | W41 S47 D48 Y49 | W41-D45 WeakPolarHBondContact O-CB 3.37Å; W41-D45 PolarHBondContact O-N 2.89Å; D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 PolarHBondContact O-N 3.35Å; D45-D48 PolarHBondContact O-N 3.17Å; D45-Y49 WeakPolarHBondContact O-CD2 3.32Å |
| 46 | K | 63.3 | Low | 70.3 | Confident | 72 Ų | 72 | 87.5 Ų | 87.5 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -31.2 | 171.3 | -171.5 | -172.7 | 177.2 | -178.1 | 0 | 113.2 | L43 V44 D48 Y49 I50 S59 | L43-K46 WeakPolarHBondContact O-CB 3.39Å; V44-K46 PolarHBondContact O-N 3.07Å; V44-K46 VanDerWaalsContact O-N 3.12Å; K46-D48 PolarHBondContact O-N 2.73Å; K46-Y49 CarbonylContact O-C 3.57Å; K46-Y49 PolarHBondContact O-N 2.99Å; K46-Y49 VanDerWaalsContact O-N 3.16Å; K46-I50 WeakPolarHBondContact O-CG1 3.3Å; K46-I50 PolarHBondContact O-N 2.82Å; K46-I50 VanDerWaalsContact O-N 3.16Å; K46-S59 PolarHBondContact NZ-OG 3.01Å |
| 47 | S | 57.3 | Low | 69 | Low | 63 Ų | 63 | 93.7 Ų | 93.7 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -25.1 | -177.1 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | V44 D45 I50 | V44-S47 WeakPolarHBondContact O-CB 3.45Å; V44-S47 PolarHBondContact O-N 3.39Å; V44-S47 PolarHBondContact O-OG 3.38Å; D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 PolarHBondContact O-N 3.35Å; S47-I50 WeakPolarHBondContact O-CG1 3.4Å |
| 48 | D | 57.8 | Low | 67.9 | Low | 128 Ų | 128 | 98.2 Ų | 98.2 | 68% | 0.684 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -88.4 | -16.3 | -178.2 | -62.6 | -12.7 | 0 | 0 | 0 | 112.2 | D45 K46 | D45-D48 PolarHBondContact O-N 3.17Å; K46-D48 PolarHBondContact O-N 2.73Å |
| 49 | Y | 50 | Low | 67.1 | Low | 129 Ų | 129 | 95.3 Ų | 95.3 | 51% | 0.506 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -119.5 | 20.7 | -179.6 | -61.8 | -82.9 | 0 | 0 | 0 | 114.1 | D45 K46 S51 L52 | D45-Y49 WeakPolarHBondContact O-CD2 3.32Å; K46-Y49 CarbonylContact O-C 3.57Å; K46-Y49 PolarHBondContact O-N 2.99Å; K46-Y49 VanDerWaalsContact O-N 3.16Å; Y49-S51 PolarHBondContact O-N 3.39Å; Y49-L52 PolarHBondContact O-N 3.3Å |
| 50 | I | 46.7 | Very low | 66.7 | Low | 122 Ų | 122 | 97.6 Ų | 97.6 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -23.5 | -175.1 | -69.6 | -177.8 | 0 | 0 | 0 | 113.5 | K46 S47 | K46-I50 WeakPolarHBondContact O-CG1 3.3Å; K46-I50 PolarHBondContact O-N 2.82Å; K46-I50 VanDerWaalsContact O-N 3.16Å; S47-I50 WeakPolarHBondContact O-CG1 3.4Å |
| 51 | S | 46.2 | Very low | 66.4 | Low | 119 Ų | 119 | 97 Ų | 97 | 83% | 0.832 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.5 | 180 | -47 | 0 | 0 | 0 | 0 | 115.7 | Y49 | Y49-S51 PolarHBondContact O-N 3.39Š|
| 52 | L | 47.5 | Very low | 66.3 | Low | 140 Ų | 140 | 88 Ų | 88 | 73% | 0.733 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | -19.2 | -167.5 | -65.2 | 175.6 | 0 | 0 | 0 | 115.2 | Y49 | Y49-L52 PolarHBondContact O-N 3.3Š|
| 53 | L | 47.8 | Very low | 66.5 | Low | 90 Ų | 90 | 90.7 Ų | 90.7 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | trans | -117 | 79.1 | -176.6 | -66.2 | 172.2 | 0 | 0 | 0 | 111.5 | S55 | L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 2.98Å | ||
| 54 | N | 50.5 | Low | 66.9 | Low | 169 Ų | 169 | 93.5 Ų | 93.5 | 90% | 0.904 | 51% | 0.506 | S | S | * | . | trans | -78.2 | 79.6 | 165.6 | -171.8 | 31.2 | 0 | 0 | 0 | 110.3 | ||||
| 55 | S | 58 | Low | 67.3 | Low | 31 Ų | 31 | 92.7 Ų | 92.7 | 22% | 0.217 | 50% | 0.499 | C | S | . | . | trans | -142.1 | 107.1 | 168.8 | 53 | 0 | 0 | 0 | 0 | 110.7 | L53 F57 Y58 | L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 2.98Å; S55-F57 PolarHBondContact O-N 3.45Å; S55-Y58 PolarHBondContact O-N 3.33Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.32Å | ||
| 56 | G | 63 | Low | 68.2 | Low | 58 Ų | 58 | 90.4 Ų | 90.4 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -53.7 | -25 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | S59 A60 | G56-S59 PolarHBondContact O-N 3.08Å; G56-A60 VanDerWaalsContact O-CB 3.31Å; G56-A60 WeakPolarHBondContact O-CB 3.47Å; G56-A60 PolarHBondContact O-N 3.36Å |
| 57 | F | 68.9 | Low | 69.7 | Low | 177 Ų | 177 | 91 Ų | 91 | 78% | 0.776 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 177.2 | -65.6 | -73.5 | 0 | 0 | 0 | 114.1 | S55 S59 A60 S61 | S55-F57 PolarHBondContact O-N 3.45Å; F57-S59 VanDerWaalsContact C-N 3.31Å; F57-S59 PolarHBondContact O-N 2.92Å; F57-A60 PolarHBondContact O-N 3.27Å; F57-S61 PolarHBondContact O-N 3.21Å; F57-S61 PolarHBondContact O-OG 3.41Å |
| 58 | Y | 70.6 | Confident | 71.4 | Confident | 153 Ų | 153 | 90 Ų | 90 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | 179.3 | -84.3 | -97.2 | 0 | 0 | 0 | 111.8 | S55 S61 A62 | S55-Y58 PolarHBondContact O-N 3.33Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.32Å; Y58-S61 WeakPolarHBondContact CA-OG 3.47Å; Y58-S61 PolarHBondContact O-OG 3.22Å; Y58-A62 PolarHBondContact O-N 3.39Å; Y58-A62 VanDerWaalsContact O-N 3.1Å |
| 59 | S | 77.9 | Confident | 73.3 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 15% | 0.154 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 175.3 | -146.6 | 0 | 0 | 0 | 0 | 111 | K46 G56 F57 S61 A62 F63 | K46-S59 PolarHBondContact NZ-OG 3.01Å; G56-S59 PolarHBondContact O-N 3.08Å; F57-S59 VanDerWaalsContact C-N 3.31Å; F57-S59 PolarHBondContact O-N 2.92Å; S59-S61 PolarHBondContact O-N 2.98Å; S59-A62 PolarHBondContact O-N 2.98Å; S59-F63 WeakPolarHBondContact O-CD2 3.47Å; S59-F63 PolarHBondContact O-N 3.44Å |
| 60 | A | 83.3 | Confident | 75.5 | Confident | 47 Ų | 47 | 80.5 Ų | 80.5 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G56 F57 A62 F63 I64 | G56-A60 VanDerWaalsContact O-CB 3.31Å; G56-A60 WeakPolarHBondContact O-CB 3.47Å; G56-A60 PolarHBondContact O-N 3.36Å; F57-A60 PolarHBondContact O-N 3.27Å; A60-A62 PolarHBondContact O-N 3.03Å; A60-F63 PolarHBondContact O-N 3.42Å; A60-I64 VanDerWaalsContact O-CG1 3.25Å; A60-I64 WeakPolarHBondContact O-CG1 3.4Å; A60-I64 PolarHBondContact O-N 3.22Å |
| 61 | S | 84.4 | Confident | 77.7 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | F57 Y58 S59 I64 L65 | F57-S61 PolarHBondContact O-N 3.21Å; F57-S61 PolarHBondContact O-OG 3.41Å; Y58-S61 WeakPolarHBondContact CA-OG 3.47Å; Y58-S61 PolarHBondContact O-OG 3.22Å; S59-S61 PolarHBondContact O-N 2.98Å; S61-I64 PolarHBondContact O-N 3.23Å; S61-L65 WeakPolarHBondContact O-CG 3.41Å; S61-L65 PolarHBondContact O-N 2.94Å |
| 62 | A | 88.9 | Confident | 80 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.008 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T42 L43 Y58 S59 A60 I64 L65 I66 | T42-A62 HydrophobicContact CG2-CB 3.99Å; L43-A62 HydrophobicContact CB-CB 4.4Å; Y58-A62 PolarHBondContact O-N 3.39Å; Y58-A62 VanDerWaalsContact O-N 3.1Å; S59-A62 PolarHBondContact O-N 2.98Å; A60-A62 PolarHBondContact O-N 3.03Å; A62-I64 PolarHBondContact O-N 3.25Å; A62-L65 PolarHBondContact O-N 3.5Å; A62-I66 VanDerWaalsContact O-CG1 3.3Å; A62-I66 WeakPolarHBondContact O-CG1 3.12Å; A62-I66 PolarHBondContact O-N 2.97Å |
| 63 | F | 90.6 | Very high | 82.3 | Confident | 108 Ų | 108 | 68.6 Ų | 68.6 | 47% | 0.474 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 175.6 | -79.5 | -64.2 | 0 | 0 | 0 | 112.6 | L43 S59 A60 L65 I66 V67 | L43-F63 HydrophobicContact CD1-CE2 4.44Å; L43-F63 HydrophobicContact CD1-CZ 4.4Å; L43-F63 HydrophobicContact CD2-CE1 4.37Å; L43-F63 HydrophobicContact CD2-CZ 4.43Å; S59-F63 WeakPolarHBondContact O-CD2 3.47Å; S59-F63 PolarHBondContact O-N 3.44Å; A60-F63 PolarHBondContact O-N 3.42Å; F63-L65 VanDerWaalsContact C-N 3.35Å; F63-L65 PolarHBondContact O-N 3.34Å; F63-I66 PolarHBondContact O-N 3.48Å; F63-V67 WeakPolarHBondContact O-CG2 3.29Å; F63-V67 PolarHBondContact O-N 3.43Å |
| 64 | I | 91.8 | Very high | 84.5 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 59% | 0.59 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 175.8 | -69.4 | 164.3 | 0 | 0 | 0 | 110.5 | A60 S61 A62 I66 V67 A68 | A60-I64 VanDerWaalsContact O-CG1 3.25Å; A60-I64 WeakPolarHBondContact O-CG1 3.4Å; A60-I64 PolarHBondContact O-N 3.22Å; S61-I64 PolarHBondContact O-N 3.23Å; A62-I64 PolarHBondContact O-N 3.25Å; I64-I66 PolarHBondContact O-N 3.24Å; I64-V67 PolarHBondContact O-N 2.8Å; I64-A68 VanDerWaalsContact O-CB 3.27Å; I64-A68 WeakPolarHBondContact O-CB 3.48Å; I64-A68 PolarHBondContact O-N 2.95Å |
| 65 | L | 92.4 | Very high | 86.5 | Confident | 67 Ų | 67 | 61 Ų | 61 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.9 | -71.2 | 174.9 | 0 | 0 | 0 | 112.2 | V35 V38 S61 A62 F63 G69 | V35-L65 HydrophobicContact CG1-CD2 4.24Å; V38-L65 HydrophobicContact CG1-CD1 4.49Å; S61-L65 WeakPolarHBondContact O-CG 3.41Å; S61-L65 PolarHBondContact O-N 2.94Å; A62-L65 PolarHBondContact O-N 3.5Å; F63-L65 VanDerWaalsContact C-N 3.35Å; F63-L65 PolarHBondContact O-N 3.34Å; L65-G69 PolarHBondContact O-N 2.69Å |
| 66 | I | 94.9 | Very high | 88.2 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 17% | 0.169 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -51.4 | 177.2 | -69.4 | 168.6 | 0 | 0 | 0 | 110.4 | L36 V40 L43 A62 F63 I64 A68 G69 V70 | L36-I66 HydrophobicContact CD1-CB 4.23Å; L36-I66 HydrophobicContact CD1-CG1 4.4Å; L36-I66 HydrophobicContact CD1-CG2 3.77Å; V40-I66 HydrophobicContact CG2-CD1 4.25Å; V40-I66 HydrophobicContact CG2-CG1 4.17Å; L43-I66 HydrophobicContact CB-CD1 4.47Å; L43-I66 HydrophobicContact CD2-CD1 4.07Å; A62-I66 VanDerWaalsContact O-CG1 3.3Å; A62-I66 WeakPolarHBondContact O-CG1 3.12Å; A62-I66 PolarHBondContact O-N 2.97Å; F63-I66 PolarHBondContact O-N 3.48Å; I64-I66 PolarHBondContact O-N 3.24Å; I66-A68 PolarHBondContact O-N 3Å; I66-G69 PolarHBondContact O-N 3.21Å; I66-V70 WeakPolarHBondContact O-CG2 3.49Å; I66-V70 PolarHBondContact O-N 3.32Å |
| 67 | V | 95.1 | Very high | 89.7 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | -179 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | F63 I64 V70 I71 | F63-V67 WeakPolarHBondContact O-CG2 3.29Å; F63-V67 PolarHBondContact O-N 3.43Å; I64-V67 PolarHBondContact O-N 2.8Å; V67-V70 PolarHBondContact O-N 2.9Å; V67-I71 HydrophobicContact CG1-CD1 3.9Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 2.91Å |
| 68 | A | 93.8 | Very high | 90.9 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I64 I66 V70 I71 V72 | I64-A68 VanDerWaalsContact O-CB 3.27Å; I64-A68 WeakPolarHBondContact O-CB 3.48Å; I64-A68 PolarHBondContact O-N 2.95Å; I66-A68 PolarHBondContact O-N 3Å; A68-V70 PolarHBondContact O-N 3.34Å; A68-I71 PolarHBondContact O-N 3.4Å; A68-V72 VanDerWaalsContact O-CG2 3.32Å; A68-V72 WeakPolarHBondContact O-CG2 3.44Å; A68-V72 PolarHBondContact O-N 2.95Å |
| 69 | G | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L65 I66 T73 | L65-G69 PolarHBondContact O-N 2.69Å; I66-G69 PolarHBondContact O-N 3.21Å; G69-T73 VanDerWaalsContact O-CB 3.25Å; G69-T73 WeakPolarHBondContact O-CB 3.34Å; G69-T73 PolarHBondContact O-N 3.41Å; G69-T73 PolarHBondContact O-OG1 2.76Å |
| 70 | V | 96.3 | Very high | 92.6 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 111 | L36 I66 V67 A68 V72 T73 L74 | L36-V70 HydrophobicContact CD1-CG2 3.83Å; L36-V70 HydrophobicContact CD2-CG2 4.16Å; I66-V70 WeakPolarHBondContact O-CG2 3.49Å; I66-V70 PolarHBondContact O-N 3.32Å; V67-V70 PolarHBondContact O-N 2.9Å; A68-V70 PolarHBondContact O-N 3.34Å; V70-V72 PolarHBondContact O-N 2.94Å; V70-T73 PolarHBondContact O-N 3.43Å; V70-L74 HydrophobicContact CG1-CD1 3.75Å; V70-L74 HydrophobicContact CG1-CG 4.24Å; V70-L74 WeakPolarHBondContact O-CB 3.48Å; V70-L74 VanDerWaalsContact O-CG 3.3Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 2.76Å |
| 71 | I | 94.5 | Very high | 93 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 34% | 0.338 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.2 | -49.2 | -180 | -69.5 | 167.7 | 0 | 0 | 0 | 110.4 | V67 A68 T73 L74 T75 V101 | V67-I71 HydrophobicContact CG1-CD1 3.9Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 2.91Å; A68-I71 PolarHBondContact O-N 3.4Å; I71-T73 PolarHBondContact O-N 2.92Å; I71-L74 PolarHBondContact O-N 2.99Å; I71-T75 WeakPolarHBondContact O-CB 3.5Å; I71-T75 PolarHBondContact O-N 3.38Å; I71-T75 PolarHBondContact O-OG1 3Å; I71-V101 HydrophobicContact CG2-CG2 3.99Å |
| 72 | V | 94.1 | Very high | 93.3 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.8 | -41.9 | -179 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | F28 A68 V70 T75 G76 | F28-V72 HydrophobicContact CD1-CG1 4.22Å; F28-V72 WeakPolarHBondContact O-CG1 3.44Å; A68-V72 VanDerWaalsContact O-CG2 3.32Å; A68-V72 WeakPolarHBondContact O-CG2 3.44Å; A68-V72 PolarHBondContact O-N 2.95Å; V70-V72 PolarHBondContact O-N 2.94Å; V72-T75 WeakPolarHBondContact O-CB 3.31Å; V72-T75 PolarHBondContact O-N 3.26Å; V72-G76 PolarHBondContact O-N 3.49Å |
| 73 | T | 95.6 | Very high | 93.3 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -48.3 | 178 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | W29 G32 G33 G69 V70 I71 T75 G76 I77 | W29-T73 VanDerWaalsContact CD1-CG2 3.48Å; G32-T73 WeakPolarHBondContact CA-OG1 3.23Å; G32-T73 PolarHBondContact O-OG1 3.2Å; G33-T73 PolarHBondContact N-OG1 3.31Å; G69-T73 VanDerWaalsContact O-CB 3.25Å; G69-T73 WeakPolarHBondContact O-CB 3.34Å; G69-T73 PolarHBondContact O-N 3.41Å; G69-T73 PolarHBondContact O-OG1 2.76Å; V70-T73 PolarHBondContact O-N 3.43Å; I71-T73 PolarHBondContact O-N 2.92Å; T73-T75 VanDerWaalsContact C-N 3.32Å; T73-T75 PolarHBondContact O-N 2.88Å; T73-G76 PolarHBondContact O-N 2.99Å; T73-I77 HydrophobicContact CG2-CD1 4.26Å; T73-I77 WeakPolarHBondContact O-CG1 3.47Å; T73-I77 PolarHBondContact O-N 2.88Å |
| 74 | L | 94.6 | Very high | 93.2 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 48% | 0.476 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.3 | -69.8 | 176.8 | 0 | 0 | 0 | 111.7 | V70 I71 G76 I77 I78 | V70-L74 HydrophobicContact CG1-CD1 3.75Å; V70-L74 HydrophobicContact CG1-CG 4.24Å; V70-L74 WeakPolarHBondContact O-CB 3.48Å; V70-L74 VanDerWaalsContact O-CG 3.3Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 2.76Å; I71-L74 PolarHBondContact O-N 2.99Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-G76 PolarHBondContact O-N 3.35Å; L74-I77 PolarHBondContact O-N 3.31Å; L74-I78 WeakPolarHBondContact O-CB 3.2Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.46Å; L74-I78 PolarHBondContact O-N 2.81Å |
| 75 | T | 92.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | I71 V72 T73 I78 G79 Y94 L97 L98 | I71-T75 WeakPolarHBondContact O-CB 3.5Å; I71-T75 PolarHBondContact O-N 3.38Å; I71-T75 PolarHBondContact O-OG1 3Å; V72-T75 WeakPolarHBondContact O-CB 3.31Å; V72-T75 PolarHBondContact O-N 3.26Å; T73-T75 VanDerWaalsContact C-N 3.32Å; T73-T75 PolarHBondContact O-N 2.88Å; T75-I78 PolarHBondContact O-N 2.89Å; T75-G79 PolarHBondContact O-N 3.41Å; T75-Y94 HydrophobicContact CG2-CE2 3.98Å; T75-L97 HydrophobicContact CG2-CD2 3.27Å; T75-L97 WeakPolarHBondContact OG1-CD2 3.38Å; T75-L98 HydrophobicContact CG2-CD2 3.99Å |
| 76 | G | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V72 T73 L74 G79 C80 | V72-G76 PolarHBondContact O-N 3.49Å; T73-G76 PolarHBondContact O-N 2.99Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-G76 PolarHBondContact O-N 3.35Å; G76-G79 PolarHBondContact O-N 3.46Å; G76-C80 WeakPolarHBondContact O-CB 3.41Å; G76-C80 PolarHBondContact O-N 3.01Å; G76-C80 PolarHBondContact O-SG 3.28Å |
| 77 | I | 93.4 | Very high | 91.8 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 38% | 0.379 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 176 | -65.9 | 167.4 | 0 | 0 | 0 | 110.5 | W29 T73 L74 G79 C80 C81 | W29-I77 VanDerWaalsContact CD1-CG1 3.48Å; W29-I77 HydrophobicContact CG-CG1 4.44Å; T73-I77 HydrophobicContact CG2-CD1 4.26Å; T73-I77 WeakPolarHBondContact O-CG1 3.47Å; T73-I77 PolarHBondContact O-N 2.88Å; L74-I77 PolarHBondContact O-N 3.31Å; I77-G79 VanDerWaalsContact C-N 3.31Å; I77-G79 PolarHBondContact O-N 3.32Å; I77-C80 PolarHBondContact O-N 3.49Å; I77-C81 WeakPolarHBondContact O-CB 3.48Å; I77-C81 PolarHBondContact O-N 2.93Å; I77-C81 PolarHBondContact O-SG 2.88Å; I77-C81 VanDerWaalsContact O-SG 3.33Å |
| 78 | I | 93.6 | Very high | 91.4 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 179.1 | -67.7 | 166.9 | 0 | 0 | 0 | 110.1 | L74 T75 C81 A82 Y94 L97 | L74-I78 WeakPolarHBondContact O-CB 3.2Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.46Å; L74-I78 PolarHBondContact O-N 2.81Å; T75-I78 PolarHBondContact O-N 2.89Å; I78-C81 PolarHBondContact O-N 2.99Å; I78-A82 VanDerWaalsContact O-CB 3.23Å; I78-A82 WeakPolarHBondContact O-CB 3.38Å; I78-A82 PolarHBondContact O-N 3.2Å; I78-Y94 HydrophobicContact CG2-CD2 4.42Å; I78-L97 HydrophobicContact CD1-CD1 4.12Å |
| 79 | G | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N25 T75 G76 I77 A82 T83 Y94 | N25-G79 WeakPolarHBondContact OD1-CA 3.44Å; T75-G79 PolarHBondContact O-N 3.41Å; G76-G79 PolarHBondContact O-N 3.46Å; I77-G79 VanDerWaalsContact C-N 3.31Å; I77-G79 PolarHBondContact O-N 3.32Å; G79-A82 PolarHBondContact O-N 3.42Å; G79-T83 WeakPolarHBondContact O-CB 3.37Å; G79-T83 PolarHBondContact O-N 3.37Å; G79-T83 PolarHBondContact O-OG1 2.91Å; G79-Y94 VanDerWaalsContact CA-CE2 3.43Å |
| 80 | C | 92 | Very high | 90.8 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 172 | -70.4 | 0 | 0 | 0 | 0 | 111 | F22 N25 G76 I77 A82 T83 L84 | F22-C80 HydrophobicContact CD2-CB 4.35Å; F22-C80 HydrophobicContact CE2-CB 4.07Å; N25-C80 VanDerWaalsContact CB-SG 3.53Å; G76-C80 WeakPolarHBondContact O-CB 3.41Å; G76-C80 PolarHBondContact O-N 3.01Å; G76-C80 PolarHBondContact O-SG 3.28Å; I77-C80 PolarHBondContact O-N 3.49Å; C80-A82 VanDerWaalsContact C-N 3.33Å; C80-A82 PolarHBondContact O-N 3.42Å; C80-T83 PolarHBondContact O-N 3.38Å; C80-L84 WeakPolarHBondContact O-CB 3.33Å; C80-L84 VanDerWaalsContact O-CG 3.31Å; C80-L84 WeakPolarHBondContact O-CG 3.44Å; C80-L84 PolarHBondContact O-N 3.46Å |
| 81 | C | 91.6 | Very high | 90.6 | Very high | 50 Ų | 50 | 49 Ų | 49 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.7 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | I77 I78 N85 L90 | I77-C81 WeakPolarHBondContact O-CB 3.48Å; I77-C81 PolarHBondContact O-N 2.93Å; I77-C81 PolarHBondContact O-SG 2.88Å; I77-C81 VanDerWaalsContact O-SG 3.33Å; I78-C81 PolarHBondContact O-N 2.99Å; C81-N85 WeakPolarHBondContact O-CB 3.37Å; C81-N85 PolarHBondContact O-N 2.96Å; C81-N85 PolarHBondContact O-ND2 3.25Å; C81-L90 HydrophobicContact CB-CD2 3.97Å; C81-L90 WeakPolarHBondContact O-CD2 3.31Å |
| 82 | A | 90.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I78 G79 C80 E86 L90 L91 | I78-A82 VanDerWaalsContact O-CB 3.23Å; I78-A82 WeakPolarHBondContact O-CB 3.38Å; I78-A82 PolarHBondContact O-N 3.2Å; G79-A82 PolarHBondContact O-N 3.42Å; C80-A82 VanDerWaalsContact C-N 3.33Å; C80-A82 PolarHBondContact O-N 3.42Å; A82-E86 PolarHBondContact O-N 3.36Å; A82-L90 HydrophobicContact CB-CB 4.35Å; A82-L90 HydrophobicContact CB-CD2 4.35Å; A82-L90 HydrophobicContact CB-CG 3.91Å; A82-L91 HydrophobicContact CB-CD2 3.87Å; A82-L91 HydrophobicContact CB-CG 4.17Å |
| 83 | T | 89.1 | Confident | 90.4 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72 | -41.3 | -178.7 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | K18 L21 F22 G79 C80 L244 | K18-T83 HydrophobicContact CB-CG2 4.23Å; K18-T83 HydrophobicContact CG-CG2 4.38Å; K18-T83 WeakPolarHBondContact O-CG2 3.37Å; L21-T83 HydrophobicContact CB-CG2 4.28Å; F22-T83 HydrophobicContact CB-CG2 4.25Å; G79-T83 WeakPolarHBondContact O-CB 3.37Å; G79-T83 PolarHBondContact O-N 3.37Å; G79-T83 PolarHBondContact O-OG1 2.91Å; C80-T83 PolarHBondContact O-N 3.38Å; T83-L244 HydrophobicContact CG2-CD2 4.4Å |
| 84 | L | 87.9 | Confident | 90.3 | Very high | 114 Ų | 114 | 50.1 Ų | 50.1 | 60% | 0.597 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -75 | -42.2 | -178.8 | -68.8 | 175 | 0 | 0 | 0 | 113.4 | F22 C80 E86 | F22-L84 HydrophobicContact CD2-CD1 4.48Å; F22-L84 HydrophobicContact CD2-CD2 4.15Å; F22-L84 HydrophobicContact CD2-CG 4.12Å; F22-L84 HydrophobicContact CE2-CD1 3.8Å; F22-L84 HydrophobicContact CE2-CD2 4.03Å; F22-L84 HydrophobicContact CE2-CG 3.93Å; C80-L84 WeakPolarHBondContact O-CB 3.33Å; C80-L84 VanDerWaalsContact O-CG 3.31Å; C80-L84 WeakPolarHBondContact O-CG 3.44Å; C80-L84 PolarHBondContact O-N 3.46Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 3.29Å |
| 85 | N | 85.2 | Confident | 90.3 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -77.4 | -14.5 | -176.6 | -71.6 | -64.3 | 0 | 0 | 0 | 113 | C81 K87 L90 | C81-N85 WeakPolarHBondContact O-CB 3.37Å; C81-N85 PolarHBondContact O-N 2.96Å; C81-N85 PolarHBondContact O-ND2 3.25Å; N85-K87 HydrophobicContact CB-CD 4.32Å; N85-K87 HydrophobicContact CB-CG 4.18Å; N85-K87 PolarHBondContact O-N 2.93Å; N85-L90 HydrophobicContact CB-CD2 4.38Å |
| 86 | E | 81.8 | Confident | 90.4 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | trans | 54.4 | 24.1 | -179 | -59.6 | -175.7 | 179.6 | 0 | 0 | 113.4 | K8 K18 A82 L84 L248 | K8-E86 IonicContact NZ-OE2 2.63Å; K8-E86 PolarHBondContact NZ-OE2 2.81Å; K18-E86 IonicContact NZ-OE1 2.64Å; K18-E86 PolarHBondContact NZ-OE1 2.89Å; K18-E86 IonicContact NZ-OE2 3.62Å; A82-E86 PolarHBondContact O-N 3.36Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 3.29Å; E86-L248 HydrophobicContact CB-CD2 3.95Å | ||
| 87 | K | 83.8 | Confident | 90.4 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | trans | -87.2 | 117.8 | 179.6 | -72.6 | 179.7 | -176.6 | 176.3 | 0 | 109.6 | N85 S89 L90 L91 | N85-K87 HydrophobicContact CB-CD 4.32Å; N85-K87 HydrophobicContact CB-CG 4.18Å; N85-K87 PolarHBondContact O-N 2.93Å; K87-S89 VanDerWaalsContact C-N 3.29Å; K87-S89 PolarHBondContact O-N 3.41Å; K87-L90 HydrophobicContact CB-CB 4.05Å; K87-L90 WeakPolarHBondContact O-CB 3.34Å; K87-L90 PolarHBondContact O-N 3.46Å; K87-L91 PolarHBondContact O-N 3.23Å; K87-L91 VanDerWaalsContact O-N 3.08Å | ||
| 88 | R | 86.3 | Confident | 90.4 | Very high | 102 Ų | 102 | 50.2 Ų | 50.2 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.9 | -41.1 | 179.9 | -172.3 | 173.8 | 176 | -156.8 | -8.9 | 113.2 | L90 L91 I92 | R88-L90 VanDerWaalsContact C-N 3.29Å; R88-L90 PolarHBondContact O-N 3.46Å; R88-L91 PolarHBondContact O-N 2.95Å; R88-I92 HydrophobicContact CG-CD1 4.08Å; R88-I92 VanDerWaalsContact O-CG1 3.32Å; R88-I92 WeakPolarHBondContact O-CG1 3.34Å; R88-I92 PolarHBondContact O-N 2.76Å |
| 89 | S | 88.5 | Confident | 90.5 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 58% | 0.58 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58.9 | -41.5 | 176.4 | 54 | 0 | 0 | 0 | 0 | 112 | K87 I92 V93 | K87-S89 VanDerWaalsContact C-N 3.29Å; K87-S89 PolarHBondContact O-N 3.41Å; S89-I92 PolarHBondContact O-N 3.01Å; S89-V93 WeakPolarHBondContact O-CG2 3.47Å; S89-V93 PolarHBondContact O-N 3.35Å |
| 90 | L | 89.9 | Confident | 90.6 | Very high | 44 Ų | 44 | 55 Ų | 55 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.3 | -36 | -179.1 | -163.9 | 61.1 | 0 | 0 | 0 | 112.1 | C81 A82 N85 K87 R88 V93 Y94 | C81-L90 HydrophobicContact CB-CD2 3.97Å; C81-L90 WeakPolarHBondContact O-CD2 3.31Å; A82-L90 HydrophobicContact CB-CB 4.35Å; A82-L90 HydrophobicContact CB-CD2 4.35Å; A82-L90 HydrophobicContact CB-CG 3.91Å; N85-L90 HydrophobicContact CB-CD2 4.38Å; K87-L90 HydrophobicContact CB-CB 4.05Å; K87-L90 WeakPolarHBondContact O-CB 3.34Å; K87-L90 PolarHBondContact O-N 3.46Å; R88-L90 VanDerWaalsContact C-N 3.29Å; R88-L90 PolarHBondContact O-N 3.46Å; L90-V93 PolarHBondContact O-N 2.99Å; L90-Y94 WeakPolarHBondContact O-CB 3.1Å; L90-Y94 PolarHBondContact O-N 3.3Å |
| 91 | L | 90.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 170.9 | -75.7 | 165.9 | 0 | 0 | 0 | 112.6 | A82 K87 R88 Y94 L95 T241 L244 L248 | A82-L91 HydrophobicContact CB-CD2 3.87Å; A82-L91 HydrophobicContact CB-CG 4.17Å; K87-L91 PolarHBondContact O-N 3.23Å; K87-L91 VanDerWaalsContact O-N 3.08Å; R88-L91 PolarHBondContact O-N 2.95Å; L91-Y94 PolarHBondContact O-N 2.98Å; L91-L95 WeakPolarHBondContact O-CB 3.39Å; L91-L95 PolarHBondContact O-N 2.96Å; L91-T241 HydrophobicContact CB-CG2 4.41Å; L91-T241 HydrophobicContact CD2-CG2 4.05Å; L91-L244 HydrophobicContact CD1-CD2 4.17Å; L91-L244 HydrophobicContact CD1-CG 4.07Å; L91-L244 HydrophobicContact CD2-CD2 3.99Å; L91-L248 HydrophobicContact CD1-CD1 3.26Å |
| 92 | I | 92.4 | Very high | 90.9 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 174.8 | -68.1 | 166.7 | 0 | 0 | 0 | 110.3 | R88 S89 Y94 L95 V96 | R88-I92 HydrophobicContact CG-CD1 4.08Å; R88-I92 VanDerWaalsContact O-CG1 3.32Å; R88-I92 WeakPolarHBondContact O-CG1 3.34Å; R88-I92 PolarHBondContact O-N 2.76Å; S89-I92 PolarHBondContact O-N 3.01Å; I92-Y94 VanDerWaalsContact C-N 3.33Å; I92-Y94 PolarHBondContact O-N 2.93Å; I92-L95 PolarHBondContact O-N 2.91Å; I92-V96 HydrophobicContact CG2-CG2 4.45Å; I92-V96 WeakPolarHBondContact O-CG2 3.38Å; I92-V96 PolarHBondContact O-N 3.43Å |
| 93 | V | 93 | Very high | 91.2 | Very high | 79 Ų | 79 | 59.5 Ų | 59.5 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | S89 L90 L95 V96 L97 | S89-V93 WeakPolarHBondContact O-CG2 3.47Å; S89-V93 PolarHBondContact O-N 3.35Å; L90-V93 PolarHBondContact O-N 2.99Å; V93-L95 PolarHBondContact O-N 3.39Å; V93-V96 PolarHBondContact O-N 3.44Å; V93-L97 WeakPolarHBondContact O-CB 3.37Å; V93-L97 PolarHBondContact O-N 3.44Å |
| 94 | Y | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.8 | 177.1 | -115.5 | 0 | 0 | 0 | 112.3 | N25 T75 I78 G79 L90 L91 I92 L97 L98 T241 | N25-Y94 PolarHBondContact ND2-OH 2.63Å; N25-Y94 WeakPolarHBondContact OD1-CE2 3.42Å; N25-Y94 PolarHBondContact OD1-OH 3.26Å; T75-Y94 HydrophobicContact CG2-CE2 3.98Å; I78-Y94 HydrophobicContact CG2-CD2 4.42Å; G79-Y94 VanDerWaalsContact CA-CE2 3.43Å; L90-Y94 WeakPolarHBondContact O-CB 3.1Å; L90-Y94 PolarHBondContact O-N 3.3Å; L91-Y94 PolarHBondContact O-N 2.98Å; I92-Y94 VanDerWaalsContact C-N 3.33Å; I92-Y94 PolarHBondContact O-N 2.93Å; Y94-L97 PolarHBondContact O-N 2.95Å; Y94-L98 HydrophobicContact CD1-CD1 4.15Å; Y94-L98 HydrophobicContact CD2-CG 4.44Å; Y94-L98 HydrophobicContact CE1-CD1 3.51Å; Y94-L98 HydrophobicContact CE1-CG 4.2Å; Y94-L98 HydrophobicContact CE2-CD1 4.2Å; Y94-L98 HydrophobicContact CE2-CD2 4.17Å; Y94-L98 HydrophobicContact CE2-CG 4.01Å; Y94-L98 PolarHBondContact O-N 2.87Å; Y94-T241 HydrophobicContact CD1-CG2 3.84Å; Y94-T241 HydrophobicContact CE1-CG2 4.41Å; Y94-T241 VanDerWaalsContact CE1-OG1 3.3Å; Y94-T241 WeakPolarHBondContact CE1-OG1 3.5Å |
| 95 | L | 94.4 | Very high | 91.7 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 177 | -177.7 | 67.1 | 0 | 0 | 0 | 112.5 | L91 I92 V93 L97 L98 L99 M238 T241 | L91-L95 WeakPolarHBondContact O-CB 3.39Å; L91-L95 PolarHBondContact O-N 2.96Å; I92-L95 PolarHBondContact O-N 2.91Å; V93-L95 PolarHBondContact O-N 3.39Å; L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 PolarHBondContact O-N 3.26Å; L95-L98 PolarHBondContact O-N 3.35Å; L95-L99 PolarHBondContact O-N 3.29Å; L95-M238 HydrophobicContact CD1-CB 3.81Å; L95-M238 HydrophobicContact CD1-CG 3.85Å; L95-M238 HydrophobicContact CD1-SD 4.48Å; L95-T241 HydrophobicContact CB-CG2 4.06Å; L95-T241 HydrophobicContact CD1-CG2 4.42Å |
| 96 | V | 94.9 | Very high | 92.2 | Very high | 81 Ų | 81 | 60.6 Ų | 60.6 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | I92 V93 L99 C100 | I92-V96 HydrophobicContact CG2-CG2 4.45Å; I92-V96 WeakPolarHBondContact O-CG2 3.38Å; I92-V96 PolarHBondContact O-N 3.43Å; V93-V96 PolarHBondContact O-N 3.44Å; V96-L99 WeakPolarHBondContact O-CB 3.31Å; V96-L99 PolarHBondContact O-N 2.81Å; V96-C100 PolarHBondContact O-N 3.2Å; V96-C100 PolarHBondContact O-SG 2.97Å |
| 97 | L | 93.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 178.9 | 178.9 | 146 | 0 | 0 | 0 | 112.1 | T75 I78 V93 Y94 L95 L99 C100 V101 | T75-L97 HydrophobicContact CG2-CD2 3.27Å; T75-L97 WeakPolarHBondContact OG1-CD2 3.38Å; I78-L97 HydrophobicContact CD1-CD1 4.12Å; V93-L97 WeakPolarHBondContact O-CB 3.37Å; V93-L97 PolarHBondContact O-N 3.44Å; Y94-L97 PolarHBondContact O-N 2.95Å; L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 PolarHBondContact O-N 3.26Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 3.48Å; L97-C100 PolarHBondContact O-N 2.9Å; L97-V101 HydrophobicContact CD2-CG2 4.47Å; L97-V101 WeakPolarHBondContact O-CG2 3.17Å; L97-V101 PolarHBondContact O-N 3.44Å |
| 98 | L | 93.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 172.1 | -75.3 | -179.5 | 0 | 0 | 0 | 111.8 | T75 Y94 L95 V101 F102 M238 | T75-L98 HydrophobicContact CG2-CD2 3.99Å; Y94-L98 HydrophobicContact CD1-CD1 4.15Å; Y94-L98 HydrophobicContact CD2-CG 4.44Å; Y94-L98 HydrophobicContact CE1-CD1 3.51Å; Y94-L98 HydrophobicContact CE1-CG 4.2Å; Y94-L98 HydrophobicContact CE2-CD1 4.2Å; Y94-L98 HydrophobicContact CE2-CD2 4.17Å; Y94-L98 HydrophobicContact CE2-CG 4.01Å; Y94-L98 PolarHBondContact O-N 2.87Å; L95-L98 PolarHBondContact O-N 3.35Å; L98-V101 PolarHBondContact O-N 3.22Å; L98-F102 WeakPolarHBondContact O-CB 3.37Å; L98-F102 PolarHBondContact O-N 3.45Å; L98-M238 HydrophobicContact CB-CG 3.77Å; L98-M238 HydrophobicContact CB-SD 4.33Å; L98-M238 HydrophobicContact CD1-CG 3.89Å |
| 99 | L | 95.4 | Very high | 93.6 | Very high | 82 Ų | 82 | 55.6 Ų | 55.6 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 176.4 | 179.4 | 63.8 | 0 | 0 | 0 | 111.8 | L95 V96 L97 V101 F102 L103 M238 | L95-L99 PolarHBondContact O-N 3.29Å; V96-L99 WeakPolarHBondContact O-CB 3.31Å; V96-L99 PolarHBondContact O-N 2.81Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 3.48Å; L99-V101 PolarHBondContact O-N 2.97Å; L99-F102 WeakPolarHBondContact O-CB 3.37Å; L99-F102 PolarHBondContact O-N 3.38Å; L99-L103 HydrophobicContact CD1-CG 4.48Å; L99-L103 HydrophobicContact CG-CD1 4.42Å; L99-L103 WeakPolarHBondContact O-CG 3.45Å; L99-L103 PolarHBondContact O-N 2.93Å; L99-M238 HydrophobicContact CB-SD 4.33Å |
| 100 | C | 94.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 176 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | V96 L97 F102 L103 L104 | V96-C100 PolarHBondContact O-N 3.2Å; V96-C100 PolarHBondContact O-SG 2.97Å; L97-C100 PolarHBondContact O-N 2.9Å; C100-F102 VanDerWaalsContact C-N 3.35Å; C100-L103 PolarHBondContact O-N 2.82Å; C100-L104 WeakPolarHBondContact O-CG 3.38Å; C100-L104 PolarHBondContact O-N 3.26Å |
| 101 | V | 94.3 | Very high | 94 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | I71 L97 L98 L99 L103 L104 E105 | I71-V101 HydrophobicContact CG2-CG2 3.99Å; L97-V101 HydrophobicContact CD2-CG2 4.47Å; L97-V101 WeakPolarHBondContact O-CG2 3.17Å; L97-V101 PolarHBondContact O-N 3.44Å; L98-V101 PolarHBondContact O-N 3.22Å; L99-V101 PolarHBondContact O-N 2.97Å; V101-L103 PolarHBondContact O-N 3.3Å; V101-L104 WeakPolarHBondContact O-CB 3.48Å; V101-L104 PolarHBondContact O-N 3.41Å; V101-E105 WeakPolarHBondContact O-CB 3.32Å; V101-E105 PolarHBondContact O-N 2.86Å |
| 102 | F | 95.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 176.6 | -178.6 | -104.2 | 0 | 0 | 0 | 112.7 | L98 L99 C100 E105 I106 A231 Q234 L235 M238 | L98-F102 WeakPolarHBondContact O-CB 3.37Å; L98-F102 PolarHBondContact O-N 3.45Å; L99-F102 WeakPolarHBondContact O-CB 3.37Å; L99-F102 PolarHBondContact O-N 3.38Å; C100-F102 VanDerWaalsContact C-N 3.35Å; F102-E105 PolarHBondContact O-N 3.48Å; F102-I106 HydrophobicContact CD1-CD1 3.9Å; F102-I106 HydrophobicContact CE1-CD1 3.38Å; F102-I106 HydrophobicContact CE1-CG1 4.38Å; F102-I106 HydrophobicContact CE2-CD1 4.5Å; F102-I106 HydrophobicContact CZ-CD1 3.73Å; F102-I106 HydrophobicContact CZ-CG1 4.44Å; F102-I106 WeakPolarHBondContact O-CG1 3.03Å; F102-I106 PolarHBondContact O-N 3.33Å; F102-A231 HydrophobicContact CD2-CB 4.39Å; F102-A231 HydrophobicContact CE2-CB 4.03Å; F102-Q234 VanDerWaalsContact CB-OE1 3.31Å; F102-L235 HydrophobicContact CE2-CD1 4.22Å; F102-L235 HydrophobicContact CE2-CD2 4.14Å; F102-L235 HydrophobicContact CE2-CG 3.97Å; F102-L235 HydrophobicContact CZ-CD1 4.38Å; F102-L235 HydrophobicContact CZ-CD2 4.07Å; F102-L235 HydrophobicContact CZ-CG 4.31Å; F102-M238 HydrophobicContact CB-CE 4.06Å; F102-M238 HydrophobicContact CD1-CE 4.45Å; F102-M238 HydrophobicContact CD2-CE 4.26Å; F102-M238 HydrophobicContact CG-CE 4.01Å |
| 103 | L | 96.1 | Very high | 93.7 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 48% | 0.482 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 176.2 | -67.6 | 175.6 | 0 | 0 | 0 | 112.3 | L99 C100 V101 E105 I106 T107 | L99-L103 HydrophobicContact CD1-CG 4.48Å; L99-L103 HydrophobicContact CG-CD1 4.42Å; L99-L103 WeakPolarHBondContact O-CG 3.45Å; L99-L103 PolarHBondContact O-N 2.93Å; C100-L103 PolarHBondContact O-N 2.82Å; V101-L103 PolarHBondContact O-N 3.3Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-I106 PolarHBondContact O-N 2.89Å; L103-T107 WeakPolarHBondContact O-CB 3.41Å; L103-T107 PolarHBondContact O-N 3.04Å; L103-T107 PolarHBondContact O-OG1 2.97Å |
| 104 | L | 94.3 | Very high | 93.5 | Very high | 109 Ų | 109 | 62.9 Ų | 62.9 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 173.7 | -72.6 | 173 | 0 | 0 | 0 | 111.5 | C100 V101 T107 A108 | C100-L104 WeakPolarHBondContact O-CG 3.38Å; C100-L104 PolarHBondContact O-N 3.26Å; V101-L104 WeakPolarHBondContact O-CB 3.48Å; V101-L104 PolarHBondContact O-N 3.41Å; L104-T107 PolarHBondContact O-N 3.45Å; L104-A108 WeakPolarHBondContact O-CB 3.33Å; L104-A108 PolarHBondContact O-N 3.3Å |
| 105 | E | 93.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 69.1 Ų | 69.1 | 19% | 0.187 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 177.2 | -174 | 171.2 | 178.8 | 0 | 0 | 112 | V101 F102 L103 T107 A108 G109 I230 A231 Q234 | V101-E105 WeakPolarHBondContact O-CB 3.32Å; V101-E105 PolarHBondContact O-N 2.86Å; F102-E105 PolarHBondContact O-N 3.48Å; L103-E105 VanDerWaalsContact C-N 3.32Å; E105-T107 VanDerWaalsContact C-N 3.33Å; E105-T107 PolarHBondContact O-N 3.34Å; E105-A108 PolarHBondContact O-N 2.89Å; E105-G109 PolarHBondContact O-N 3.2Å; E105-I230 WeakPolarHBondContact OE1-CB 3.1Å; E105-A231 PolarHBondContact OE1-N 3.43Å; E105-Q234 VanDerWaalsContact OE2-CD 3.3Å; E105-Q234 PolarHBondContact OE2-NE2 3.43Å; E105-Q234 PolarHBondContact OE2-OE1 3.05Å |
| 106 | I | 95.5 | Very high | 92.6 | Very high | 81 Ų | 81 | 68.4 Ų | 68.4 | 42% | 0.415 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 171.9 | -70 | 173.6 | 0 | 0 | 0 | 110.4 | F102 L103 A108 G109 V110 | F102-I106 HydrophobicContact CD1-CD1 3.9Å; F102-I106 HydrophobicContact CE1-CD1 3.38Å; F102-I106 HydrophobicContact CE1-CG1 4.38Å; F102-I106 HydrophobicContact CE2-CD1 4.5Å; F102-I106 HydrophobicContact CZ-CD1 3.73Å; F102-I106 HydrophobicContact CZ-CG1 4.44Å; F102-I106 WeakPolarHBondContact O-CG1 3.03Å; F102-I106 PolarHBondContact O-N 3.33Å; L103-I106 PolarHBondContact O-N 2.89Å; I106-A108 VanDerWaalsContact C-N 3.35Å; I106-A108 PolarHBondContact O-N 3.41Å; I106-G109 PolarHBondContact O-N 2.74Å; I106-V110 HydrophobicContact CG2-CG2 4.33Å; I106-V110 WeakPolarHBondContact O-CG2 3.27Å; I106-V110 PolarHBondContact O-N 2.87Å |
| 107 | T | 95.4 | Very high | 91.9 | Very high | 75 Ų | 75 | 69.5 Ų | 69.5 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | -179.9 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | L103 L104 E105 G109 V110 L111 | L103-T107 WeakPolarHBondContact O-CB 3.41Å; L103-T107 PolarHBondContact O-N 3.04Å; L103-T107 PolarHBondContact O-OG1 2.97Å; L104-T107 PolarHBondContact O-N 3.45Å; E105-T107 VanDerWaalsContact C-N 3.33Å; E105-T107 PolarHBondContact O-N 3.34Å; T107-G109 PolarHBondContact O-N 3.32Å; T107-V110 PolarHBondContact O-N 3.41Å; T107-L111 HydrophobicContact CG2-CD1 4.15Å; T107-L111 HydrophobicContact CG2-CG 4.48Å; T107-L111 WeakPolarHBondContact O-CB 3.46Å; T107-L111 VanDerWaalsContact O-CG 3.3Å; T107-L111 WeakPolarHBondContact O-CG 3.36Å; T107-L111 PolarHBondContact O-N 2.91Å |
| 108 | A | 92.8 | Very high | 91.3 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L104 E105 I106 L111 A112 | L104-A108 WeakPolarHBondContact O-CB 3.33Å; L104-A108 PolarHBondContact O-N 3.3Å; E105-A108 PolarHBondContact O-N 2.89Å; I106-A108 VanDerWaalsContact C-N 3.35Å; I106-A108 PolarHBondContact O-N 3.41Å; A108-L111 PolarHBondContact O-N 3.37Å; A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 2.9Å |
| 109 | G | 93.4 | Very high | 90.5 | Very high | 42 Ų | 42 | 76.4 Ų | 76.4 | 43% | 0.433 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | E105 I106 T107 A112 Y113 | E105-G109 PolarHBondContact O-N 3.2Å; I106-G109 PolarHBondContact O-N 2.74Å; T107-G109 PolarHBondContact O-N 3.32Å; G109-A112 PolarHBondContact O-N 3.42Å; G109-Y113 PolarHBondContact O-N 2.64Å |
| 110 | V | 93.5 | Very high | 89.7 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I106 T107 A112 Y113 V114 | I106-V110 HydrophobicContact CG2-CG2 4.33Å; I106-V110 WeakPolarHBondContact O-CG2 3.27Å; I106-V110 PolarHBondContact O-N 2.87Å; T107-V110 PolarHBondContact O-N 3.41Å; V110-A112 PolarHBondContact O-N 3.42Å; V110-Y113 PolarHBondContact O-N 3.32Å; V110-V114 HydrophobicContact CG1-CG2 4.47Å; V110-V114 WeakPolarHBondContact O-CG2 3.09Å; V110-V114 PolarHBondContact O-N 3.4Å |
| 111 | L | 92 | Very high | 89 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.4 | -72 | 175.1 | 0 | 0 | 0 | 111.2 | T107 A108 Y113 V114 Y115 | T107-L111 HydrophobicContact CG2-CD1 4.15Å; T107-L111 HydrophobicContact CG2-CG 4.48Å; T107-L111 WeakPolarHBondContact O-CB 3.46Å; T107-L111 VanDerWaalsContact O-CG 3.3Å; T107-L111 WeakPolarHBondContact O-CG 3.36Å; T107-L111 PolarHBondContact O-N 2.91Å; A108-L111 PolarHBondContact O-N 3.37Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 3.33Å; L111-V114 PolarHBondContact O-N 3.4Å; L111-Y115 HydrophobicContact CB-CD2 4.19Å; L111-Y115 HydrophobicContact CB-CE2 4.19Å; L111-Y115 HydrophobicContact CD2-CE2 4.11Å; L111-Y115 WeakPolarHBondContact O-CB 3.28Å; L111-Y115 WeakPolarHBondContact O-CD2 3.29Å; L111-Y115 PolarHBondContact O-N 3.45Å |
| 112 | A | 89.4 | Confident | 88.5 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A108 G109 V110 Q116 | A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 2.9Å; G109-A112 PolarHBondContact O-N 3.42Å; V110-A112 PolarHBondContact O-N 3.42Å; A112-Q116 VanDerWaalsContact O-CB 3.28Å; A112-Q116 WeakPolarHBondContact O-CB 3.43Å; A112-Q116 PolarHBondContact O-N 2.89Å |
| 113 | Y | 89.1 | Confident | 87.9 | Confident | 152 Ų | 152 | 79.5 Ų | 79.5 | 60% | 0.596 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 176.3 | 179.4 | -99.6 | 0 | 0 | 0 | 112.5 | G109 V110 L111 Q116 Q117 | G109-Y113 PolarHBondContact O-N 2.64Å; V110-Y113 PolarHBondContact O-N 3.32Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 3.33Å; Y113-Q116 PolarHBondContact O-N 3.38Å; Y113-Q117 PolarHBondContact O-N 3.5Å |
| 114 | V | 89 | Confident | 87.3 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 40% | 0.4 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 178.6 | 172.3 | 0 | 0 | 0 | 0 | 111 | V110 L111 Q117 | V110-V114 HydrophobicContact CG1-CG2 4.47Å; V110-V114 WeakPolarHBondContact O-CG2 3.09Å; V110-V114 PolarHBondContact O-N 3.4Å; L111-V114 PolarHBondContact O-N 3.4Å; V114-Q117 PolarHBondContact O-N 3.25Å |
| 115 | Y | 83.9 | Confident | 86.9 | Confident | 131 Ų | 131 | 80.9 Ų | 80.9 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.1 | -33.6 | 178.8 | -75.3 | -60.7 | 0 | 0 | 0 | 112.4 | L111 Q117 Q118 L119 | L111-Y115 HydrophobicContact CB-CD2 4.19Å; L111-Y115 HydrophobicContact CB-CE2 4.19Å; L111-Y115 HydrophobicContact CD2-CE2 4.11Å; L111-Y115 WeakPolarHBondContact O-CB 3.28Å; L111-Y115 WeakPolarHBondContact O-CD2 3.29Å; L111-Y115 PolarHBondContact O-N 3.45Å; Y115-Q117 VanDerWaalsContact C-N 3.26Å; Y115-Q117 PolarHBondContact O-N 3.44Å; Y115-Q118 PolarHBondContact O-N 3.43Å; Y115-Q118 VanDerWaalsContact O-N 3.11Å; Y115-L119 WeakPolarHBondContact O-CB 3.3Å; Y115-L119 WeakPolarHBondContact O-CG 3.36Å; Y115-L119 PolarHBondContact O-N 2.82Å |
| 116 | Q | 83.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 82.6 Ų | 82.6 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 174.7 | -177.7 | -178 | 14.8 | 0 | 0 | 111.6 | A112 Y113 Q118 L119 D120 L220 | A112-Q116 VanDerWaalsContact O-CB 3.28Å; A112-Q116 WeakPolarHBondContact O-CB 3.43Å; A112-Q116 PolarHBondContact O-N 2.89Å; Y113-Q116 PolarHBondContact O-N 3.38Å; Q116-Q118 VanDerWaalsContact C-N 3.3Å; Q116-Q118 PolarHBondContact O-N 3.29Å; Q116-L119 PolarHBondContact O-N 2.85Å; Q116-D120 PolarHBondContact O-N 3.5Å; Q116-L220 HydrophobicContact CB-CD1 4.13Å; Q116-L220 VanDerWaalsContact CD-CD1 3.46Å; Q116-L220 HydrophobicContact CG-CD1 3.6Å |
| 117 | Q | 79.6 | Confident | 86.3 | Confident | 103 Ų | 103 | 79.8 Ų | 79.8 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 179 | -63 | -62.4 | -57.6 | 0 | 0 | 112.6 | Y113 V114 Y115 | Y113-Q117 PolarHBondContact O-N 3.5Å; V114-Q117 PolarHBondContact O-N 3.25Å; Y115-Q117 VanDerWaalsContact C-N 3.26Å; Y115-Q117 PolarHBondContact O-N 3.44Å |
| 118 | Q | 81.6 | Confident | 86.1 | Confident | 102 Ų | 102 | 79.6 Ų | 79.6 | 48% | 0.477 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -78.8 | -35.8 | 178.4 | -67.4 | 176.7 | -10.1 | 0 | 0 | 112.3 | Y115 Q116 D120 E122 | Y115-Q118 PolarHBondContact O-N 3.43Å; Y115-Q118 VanDerWaalsContact O-N 3.11Å; Q116-Q118 VanDerWaalsContact C-N 3.3Å; Q116-Q118 PolarHBondContact O-N 3.29Å; Q118-D120 VanDerWaalsContact C-N 3.3Å; Q118-D120 PolarHBondContact O-N 3.3Å; Q118-E122 PolarHBondContact O-N 3.48Å |
| 119 | L | 77 | Confident | 86 | Confident | 91 Ų | 91 | 80.5 Ų | 80.5 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.8 | -34.8 | -177.6 | -78.6 | 169.6 | 0 | 0 | 0 | 112.4 | Y115 Q116 L123 | Y115-L119 WeakPolarHBondContact O-CB 3.3Å; Y115-L119 WeakPolarHBondContact O-CG 3.36Å; Y115-L119 PolarHBondContact O-N 2.82Å; Q116-L119 PolarHBondContact O-N 2.85Å; L119-L123 WeakPolarHBondContact O-CB 3.44Å; L119-L123 PolarHBondContact O-N 3.46Å |
| 120 | D | 78.4 | Confident | 85.9 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 14% | 0.144 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.1 | -54 | -178.7 | -73.5 | -8.3 | 0 | 0 | 0 | 110.5 | Q116 Q118 L123 R124 R217 | Q116-D120 PolarHBondContact O-N 3.5Å; Q118-D120 VanDerWaalsContact C-N 3.3Å; Q118-D120 PolarHBondContact O-N 3.3Å; D120-L123 PolarHBondContact O-N 2.86Å; D120-R124 WeakPolarHBondContact O-CG 3.37Å; D120-R124 PolarHBondContact O-N 3.26Å; D120-R217 IonicContact OD2-NH2 3.57Å; D120-R217 PolarHBondContact OD2-NH2 3.05Å |
| 121 | D | 81.1 | Confident | 85.8 | Confident | 104 Ų | 104 | 76.9 Ų | 76.9 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -70 | -41.9 | -177.9 | -74.7 | -28.9 | 0 | 0 | 0 | 113.6 | L123 R124 Q125 | D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 2.98Å; D121-R124 PolarHBondContact O-N 2.91Å; D121-Q125 PolarHBondContact O-N 3.28Å |
| 122 | E | 83.6 | Confident | 85.9 | Confident | 110 Ų | 110 | 74.1 Ų | 74.1 | 51% | 0.514 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.7 | -77.1 | -168.5 | 176.4 | 0 | 0 | 111.4 | Q118 Q125 N126 | Q118-E122 PolarHBondContact O-N 3.48Å; E122-Q125 PolarHBondContact O-N 3.47Å; E122-N126 WeakPolarHBondContact O-CB 3.2Å; E122-N126 VanDerWaalsContact O-CG 3.25Å; E122-N126 PolarHBondContact O-N 2.95Å; E122-N126 PolarHBondContact O-ND2 3.38Å |
| 123 | L | 83.1 | Confident | 86.1 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 178.3 | -180 | 63.6 | 0 | 0 | 0 | 111.1 | L119 D120 D121 Q125 L127 L212 E213 I216 | L119-L123 WeakPolarHBondContact O-CB 3.44Å; L119-L123 PolarHBondContact O-N 3.46Å; D120-L123 PolarHBondContact O-N 2.86Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 2.98Å; L123-Q125 VanDerWaalsContact C-N 3.35Å; L123-Q125 PolarHBondContact O-N 3.32Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 PolarHBondContact O-N 2.95Å; L123-L212 HydrophobicContact CD1-CD2 3.81Å; L123-L212 HydrophobicContact CD2-CD2 4.03Å; L123-L212 HydrophobicContact CD2-CG 4.07Å; L123-L212 HydrophobicContact CG-CD2 4.33Å; L123-E213 HydrophobicContact CD2-CG 4.07Å; L123-I216 HydrophobicContact CD2-CD1 3.82Å |
| 124 | R | 83.2 | Confident | 86.2 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.9 | -49.9 | 178.5 | -54.1 | -152.2 | 166 | 131.6 | -5.8 | 111.3 | D120 D121 K128 V209 E213 | D120-R124 WeakPolarHBondContact O-CG 3.37Å; D120-R124 PolarHBondContact O-N 3.26Å; D121-R124 PolarHBondContact O-N 2.91Å; R124-K128 PolarHBondContact O-N 3.27Å; R124-V209 HydrophobicContact CB-CG1 4.14Å; R124-V209 HydrophobicContact CG-CG1 3.57Å; R124-E213 VanDerWaalsContact CG-OE1 3.26Å; R124-E213 WeakPolarHBondContact CG-OE1 3.29Å; R124-E213 IonicContact CZ-OE1 3.98Å; R124-E213 VanDerWaalsContact CZ-OE1 3.32Å; R124-E213 IonicContact CZ-OE2 3.32Å; R124-E213 IonicContact NE-OE1 3.67Å; R124-E213 PolarHBondContact NE-OE1 3.44Å; R124-E213 IonicContact NE-OE2 2.69Å; R124-E213 IonicContact NH2-OE1 2.74Å; R124-E213 PolarHBondContact NH2-OE1 2.95Å; R124-E213 IonicContact NH2-OE2 3.42Å; R124-E213 PolarHBondContact NH2-OE2 3.47Å |
| 125 | Q | 85.4 | Confident | 86.4 | Confident | 133 Ų | 133 | 69.9 Ų | 69.9 | 62% | 0.621 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.7 | -48.6 | -177 | -67.5 | -174.7 | -6.5 | 0 | 0 | 111.6 | D121 E122 L123 L127 K128 L129 | D121-Q125 PolarHBondContact O-N 3.28Å; E122-Q125 PolarHBondContact O-N 3.47Å; L123-Q125 VanDerWaalsContact C-N 3.35Å; L123-Q125 PolarHBondContact O-N 3.32Å; Q125-L127 PolarHBondContact O-N 3.06Å; Q125-K128 PolarHBondContact O-N 3.33Å; Q125-L129 WeakPolarHBondContact O-CB 3.47Å; Q125-L129 VanDerWaalsContact O-CG 3.3Å; Q125-L129 WeakPolarHBondContact O-CG 3.37Å; Q125-L129 PolarHBondContact O-N 3.34Å |
| 126 | N | 87.6 | Confident | 86.7 | Confident | 77 Ų | 77 | 68 Ų | 68 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | -177.3 | -74.4 | -40.6 | 0 | 0 | 0 | 111.8 | E122 N130 | E122-N126 WeakPolarHBondContact O-CB 3.2Å; E122-N126 VanDerWaalsContact O-CG 3.25Å; E122-N126 PolarHBondContact O-N 2.95Å; E122-N126 PolarHBondContact O-ND2 3.38Å; N126-N130 WeakPolarHBondContact O-CB 3.28Å; N126-N130 PolarHBondContact O-N 3.46Å; N126-N130 PolarHBondContact O-ND2 3.24Å |
| 127 | L | 89.4 | Confident | 87 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 179.2 | -171.1 | 62.4 | 0 | 0 | 0 | 111 | L123 Q125 N130 M131 L150 C208 V209 L212 | L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 PolarHBondContact O-N 2.95Å; Q125-L127 PolarHBondContact O-N 3.06Å; L127-N130 PolarHBondContact O-N 3.38Å; L127-M131 HydrophobicContact CD1-CE 3.7Å; L127-M131 HydrophobicContact CD2-CE 3.99Å; L127-M131 HydrophobicContact CG-CE 3.73Å; L127-M131 HydrophobicContact CG-SD 4.26Å; L127-M131 WeakPolarHBondContact O-CB 3.42Å; L127-M131 VanDerWaalsContact O-CG 3.31Å; L127-M131 WeakPolarHBondContact O-CG 3.26Å; L127-M131 PolarHBondContact O-N 3.39Å; L127-L150 HydrophobicContact CD1-CD2 3.89Å; L127-L150 HydrophobicContact CD2-CD2 3.95Å; L127-L150 HydrophobicContact CG-CD2 4.5Å; L127-C208 HydrophobicContact CD2-CB 4.32Å; L127-V209 HydrophobicContact CB-CG2 4.35Å; L127-V209 HydrophobicContact CD2-CG2 3.72Å; L127-V209 HydrophobicContact CG-CG2 4.47Å; L127-L212 HydrophobicContact CD2-CD2 4.35Å |
| 128 | K | 91 | Very high | 87.4 | Confident | 71 Ų | 71 | 70 Ų | 70 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.4 | -50.4 | 177.1 | -172.7 | 172.4 | 179.1 | 170.4 | 0 | 111.7 | R124 Q125 N130 M131 Q132 S159 D164 | R124-K128 PolarHBondContact O-N 3.27Å; Q125-K128 PolarHBondContact O-N 3.33Å; K128-N130 PolarHBondContact O-N 3.41Å; K128-M131 PolarHBondContact O-N 2.88Å; K128-Q132 HydrophobicContact CG-CG 4.47Å; K128-Q132 WeakPolarHBondContact O-CB 3.35Å; K128-Q132 WeakPolarHBondContact O-CG 3.38Å; K128-Q132 PolarHBondContact O-N 2.96Å; K128-S159 WeakPolarHBondContact CB-OG 3.25Å; K128-D164 IonicContact NZ-OD1 3.89Å |
| 129 | L | 91.3 | Very high | 87.7 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | -180 | -72.5 | 171.4 | 0 | 0 | 0 | 111.8 | Q125 Q132 Q133 | Q125-L129 WeakPolarHBondContact O-CB 3.47Å; Q125-L129 VanDerWaalsContact O-CG 3.3Å; Q125-L129 WeakPolarHBondContact O-CG 3.37Å; Q125-L129 PolarHBondContact O-N 3.34Å; L129-Q132 PolarHBondContact O-N 3.2Å; L129-Q133 VanDerWaalsContact O-CB 3.3Å; L129-Q133 WeakPolarHBondContact O-CB 3.5Å; L129-Q133 PolarHBondContact O-N 3.19Å |
| 130 | N | 90.2 | Very high | 88.2 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.5 | -71.6 | -38.6 | 0 | 0 | 0 | 111.8 | N126 L127 K128 Q132 K134 Y135 V143 | N126-N130 WeakPolarHBondContact O-CB 3.28Å; N126-N130 PolarHBondContact O-N 3.46Å; N126-N130 PolarHBondContact O-ND2 3.24Å; L127-N130 PolarHBondContact O-N 3.38Å; K128-N130 PolarHBondContact O-N 3.41Å; N130-Q132 VanDerWaalsContact C-N 3.34Å; N130-Q132 PolarHBondContact O-N 2.66Å; N130-K134 WeakPolarHBondContact O-CA 3.25Å; N130-K134 WeakPolarHBondContact O-CB 3.31Å; N130-K134 PolarHBondContact O-N 3.1Å; N130-K134 WeakPolarHBondContact OD1-CD 3.27Å; N130-K134 VanDerWaalsContact OD1-CE 3.32Å; N130-K134 WeakPolarHBondContact OD1-CE 3.32Å; N130-K134 PolarHBondContact OD1-NZ 2.92Å; N130-Y135 PolarHBondContact O-N 2.88Å; N130-V143 HydrophobicContact CB-CG1 4.13Å |
| 131 | M | 92.7 | Very high | 88.6 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.025 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 174.8 | -74.5 | 179.9 | 178.9 | 0 | 0 | 112 | L127 K128 Y135 V147 L150 W165 C208 | L127-M131 HydrophobicContact CD1-CE 3.7Å; L127-M131 HydrophobicContact CD2-CE 3.99Å; L127-M131 HydrophobicContact CG-CE 3.73Å; L127-M131 HydrophobicContact CG-SD 4.26Å; L127-M131 WeakPolarHBondContact O-CB 3.42Å; L127-M131 VanDerWaalsContact O-CG 3.31Å; L127-M131 WeakPolarHBondContact O-CG 3.26Å; L127-M131 PolarHBondContact O-N 3.39Å; K128-M131 PolarHBondContact O-N 2.88Å; M131-Y135 WeakPolarHBondContact O-CB 3.28Å; M131-V147 HydrophobicContact CE-CG1 4.15Å; M131-V147 HydrophobicContact CE-CG2 4.4Å; M131-V147 HydrophobicContact CG-CG1 4.06Å; M131-V147 HydrophobicContact CG-CG2 3.76Å; M131-L150 HydrophobicContact CE-CD2 3.62Å; M131-W165 HydrophobicContact CB-CH2 3.99Å; M131-W165 HydrophobicContact CB-CZ2 4.3Å; M131-W165 HydrophobicContact CG-CH2 4.27Å; M131-W165 HydrophobicContact CG-CZ2 4.31Å; M131-W165 WeakPolarHBondContact O-CZ3 3.34Å; M131-W165 HydrophobicContact SD-CZ2 4.31Å; M131-C208 HydrophobicContact CE-CB 4.12Å |
| 132 | Q | 92.6 | Very high | 88.8 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 12% | 0.121 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -79.5 | -38.4 | -176.1 | -71.3 | -178 | -29.5 | 0 | 0 | 113.3 | K128 L129 N130 D164 S168 E169 | K128-Q132 HydrophobicContact CG-CG 4.47Å; K128-Q132 WeakPolarHBondContact O-CB 3.35Å; K128-Q132 WeakPolarHBondContact O-CG 3.38Å; K128-Q132 PolarHBondContact O-N 2.96Å; L129-Q132 PolarHBondContact O-N 3.2Å; N130-Q132 VanDerWaalsContact C-N 3.34Å; N130-Q132 PolarHBondContact O-N 2.66Å; Q132-D164 PolarHBondContact NE2-O 2.69Å; Q132-S168 CarbonylContact O-C 3.51Å; Q132-S168 VanDerWaalsContact O-CA 3.3Å; Q132-S168 WeakPolarHBondContact O-CA 3.37Å; Q132-E169 PolarHBondContact O-N 3.28Å |
| 133 | Q | 93.4 | Very high | 89 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 44% | 0.444 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -104.9 | -19.1 | -170.4 | -62.8 | -177.1 | -32.8 | 0 | 0 | 114.5 | L129 Q137 | L129-Q133 VanDerWaalsContact O-CB 3.3Å; L129-Q133 WeakPolarHBondContact O-CB 3.5Å; L129-Q133 PolarHBondContact O-N 3.19Å; Q133-Q137 VanDerWaalsContact O-CG 3.23Å; Q133-Q137 WeakPolarHBondContact O-CG 3.3Å |
| 134 | K | 92.3 | Very high | 89.3 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -13.5 | -172.9 | -61.2 | -177.9 | -172.2 | 164.4 | 0 | 113.8 | N130 L136 Q137 Q140 V143 | N130-K134 WeakPolarHBondContact O-CA 3.25Å; N130-K134 WeakPolarHBondContact O-CB 3.31Å; N130-K134 PolarHBondContact O-N 3.1Å; N130-K134 WeakPolarHBondContact OD1-CD 3.27Å; N130-K134 VanDerWaalsContact OD1-CE 3.32Å; N130-K134 WeakPolarHBondContact OD1-CE 3.32Å; N130-K134 PolarHBondContact OD1-NZ 2.92Å; K134-L136 PolarHBondContact O-N 3.32Å; K134-Q137 PolarHBondContact O-N 3.41Å; K134-Q140 HydrophobicContact CB-CB 4.15Å; K134-Q140 HydrophobicContact CB-CG 4.05Å; K134-Q140 HydrophobicContact CG-CG 4.29Å; K134-Q140 VanDerWaalsContact O-CB 3.32Å; K134-Q140 WeakPolarHBondContact O-CB 3.49Å; K134-V143 HydrophobicContact CB-CB 4.24Å; K134-V143 HydrophobicContact CB-CG1 3.93Å; K134-V143 HydrophobicContact CB-CG2 4.23Å; K134-V143 HydrophobicContact CD-CG2 4.21Å |
| 135 | Y | 92.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 69 Ų | 69 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 129.2 | 176.8 | -171 | -100.1 | 0 | 0 | 0 | 111.2 | N130 M131 Q137 T144 V147 D148 W165 W170 P181 | N130-Y135 PolarHBondContact O-N 2.88Å; M131-Y135 WeakPolarHBondContact O-CB 3.28Å; Y135-Q137 PolarHBondContact O-N 3.49Å; Y135-Q137 VanDerWaalsContact O-N 3.1Å; Y135-T144 HydrophobicContact CD2-CG2 4.27Å; Y135-T144 HydrophobicContact CE2-CG2 3.77Å; Y135-V147 HydrophobicContact CD2-CB 3.99Å; Y135-V147 HydrophobicContact CD2-CG1 3.84Å; Y135-V147 HydrophobicContact CD2-CG2 4.45Å; Y135-V147 HydrophobicContact CE2-CB 4.15Å; Y135-V147 HydrophobicContact CE2-CG1 3.88Å; Y135-D148 VanDerWaalsContact CE2-OD1 3.29Å; Y135-D148 WeakPolarHBondContact CE2-OD1 3.47Å; Y135-D148 PolarHBondContact OH-OD1 3.44Å; Y135-W165 AromaticContact CD1-CH2 3.91Å; Y135-W165 HydrophobicContact CD1-CH2 3.91Å; Y135-W165 AromaticContact CD1-CZ3 3.53Å; Y135-W165 HydrophobicContact CD1-CZ3 3.53Å; Y135-W165 AromaticContact CD2-CH2 3.78Å; Y135-W165 HydrophobicContact CD2-CH2 3.78Å; Y135-W165 HydrophobicContact CD2-CZ3 4.23Å; Y135-W165 HydrophobicContact CE1-CH2 4.34Å; Y135-W165 HydrophobicContact CE1-CZ3 4.17Å; Y135-W165 HydrophobicContact CE2-CH2 4.23Å; Y135-W165 AromaticContact CG-CH2 3.62Å; Y135-W165 HydrophobicContact CG-CH2 3.62Å; Y135-W165 AromaticContact CG-CZ3 3.58Å; Y135-W165 HydrophobicContact CG-CZ3 3.58Å; Y135-W170 HydrophobicContact CD1-CB 4.2Å; Y135-W170 AromaticContact CD1-CD2 3.97Å; Y135-W170 HydrophobicContact CD1-CD2 3.97Å; Y135-W170 HydrophobicContact CD1-CE3 4Å; Y135-W170 HydrophobicContact CD1-CG 4.04Å; Y135-W170 HydrophobicContact CE1-CD2 4.01Å; Y135-W170 HydrophobicContact CE1-CE3 4.02Å; Y135-W170 HydrophobicContact CE1-CG 4.44Å; Y135-W170 HydrophobicContact CE1-CZ3 4.39Å; Y135-P181 HydrophobicContact CD1-CG 4.38Å; Y135-P181 HydrophobicContact CE1-CB 4.16Å; Y135-P181 HydrophobicContact CE1-CG 3.65Å; Y135-P181 HydrophobicContact CE2-CG 4.39Å; Y135-P181 WeakPolarHBondContact OH-CB 3.49Å |
| 136 | L | 90.7 | Very high | 89.9 | Confident | 92 Ų | 92 | 66.3 Ų | 66.3 | 48% | 0.482 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 21.5 | -175.3 | -108.4 | 85.3 | 0 | 0 | 0 | 115.5 | K134 T144 W170 | K134-L136 PolarHBondContact O-N 3.32Å; L136-T144 HydrophobicContact CD1-CG2 3.52Å; L136-T144 PolarHBondContact N-OG1 3.45Å; L136-W170 HydrophobicContact CB-CG 4.16Å |
| 137 | Q | 90.4 | Very high | 90.2 | Very high | 55 Ų | 55 | 63 Ų | 63 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | trans | -86.8 | 148.8 | 177.2 | -65 | -53.3 | -45.3 | 0 | 0 | 112.6 | Q133 K134 Y135 G139 Q140 | Q133-Q137 VanDerWaalsContact O-CG 3.23Å; Q133-Q137 WeakPolarHBondContact O-CG 3.3Å; K134-Q137 PolarHBondContact O-N 3.41Å; Y135-Q137 PolarHBondContact O-N 3.49Å; Y135-Q137 VanDerWaalsContact O-N 3.1Å; Q137-G139 PolarHBondContact O-N 2.88Å; Q137-Q140 HydrophobicContact CB-CB 4.3Å; Q137-Q140 HydrophobicContact CB-CG 4.23Å; Q137-Q140 PolarHBondContact O-N 3.46Å; Q137-Q140 VanDerWaalsContact O-N 3.08Å | ||
| 138 | P | 88.6 | Confident | 90.4 | Very high | 120 Ų | 120 | 64.1 Ų | 64.1 | 78% | 0.779 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.6 | 176.9 | -24.7 | 34 | 0 | 0 | 0 | 112.2 | Q140 | P138-Q140 VanDerWaalsContact C-N 3.29Å; P138-Q140 PolarHBondContact O-N 2.69Å |
| 139 | G | 86.8 | Confident | 90.4 | Very high | 72 Ų | 72 | 67.1 Ų | 67.1 | 74% | 0.742 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 6.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q137 | Q137-G139 PolarHBondContact O-N 2.88Š|
| 140 | Q | 88.3 | Confident | 90.5 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | trans | -115.8 | 28.2 | 179.5 | -60.8 | -65.5 | -24.1 | 0 | 0 | 113.1 | K134 Q137 P138 S142 V143 T144 | K134-Q140 HydrophobicContact CB-CB 4.15Å; K134-Q140 HydrophobicContact CB-CG 4.05Å; K134-Q140 HydrophobicContact CG-CG 4.29Å; K134-Q140 VanDerWaalsContact O-CB 3.32Å; K134-Q140 WeakPolarHBondContact O-CB 3.49Å; Q137-Q140 HydrophobicContact CB-CB 4.3Å; Q137-Q140 HydrophobicContact CB-CG 4.23Å; Q137-Q140 PolarHBondContact O-N 3.46Å; Q137-Q140 VanDerWaalsContact O-N 3.08Å; P138-Q140 VanDerWaalsContact C-N 3.29Å; P138-Q140 PolarHBondContact O-N 2.69Å; Q140-S142 PolarHBondContact O-N 3.27Å; Q140-S142 VanDerWaalsContact O-N 3.17Å; Q140-V143 HydrophobicContact CB-CB 4.44Å; Q140-V143 HydrophobicContact CB-CG2 4.39Å; Q140-V143 WeakPolarHBondContact O-CB 3.43Å; Q140-V143 PolarHBondContact O-N 2.9Å; Q140-T144 PolarHBondContact O-N 2.95Å | ||
| 141 | E | 87.4 | Confident | 90.8 | Very high | 160 Ų | 160 | 62.1 Ų | 62.1 | 75% | 0.748 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.7 | -35.4 | -177.7 | -65.4 | 177.3 | -176.5 | 0 | 0 | 113.2 | V143 T144 L145 | E141-V143 VanDerWaalsContact C-N 3.3Å; E141-V143 PolarHBondContact O-N 2.84Å; E141-T144 PolarHBondContact O-N 3.44Å; E141-L145 WeakPolarHBondContact O-CB 3.19Å; E141-L145 PolarHBondContact O-N 3.27Å |
| 142 | S | 84.4 | Confident | 90.9 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.8 | -34.4 | 176.6 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | Q140 S146 | Q140-S142 PolarHBondContact O-N 3.27Å; Q140-S142 VanDerWaalsContact O-N 3.17Å; S142-S146 VanDerWaalsContact O-CB 3.29Å; S142-S146 WeakPolarHBondContact O-CB 2.99Å; S142-S146 PolarHBondContact O-N 3.02Å; S142-S146 PolarHBondContact O-OG 2.91Å |
| 143 | V | 87.9 | Confident | 91 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.4 | -46.5 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | N130 K134 Q140 E141 L145 S146 V147 | N130-V143 HydrophobicContact CB-CG1 4.13Å; K134-V143 HydrophobicContact CB-CB 4.24Å; K134-V143 HydrophobicContact CB-CG1 3.93Å; K134-V143 HydrophobicContact CB-CG2 4.23Å; K134-V143 HydrophobicContact CD-CG2 4.21Å; Q140-V143 HydrophobicContact CB-CB 4.44Å; Q140-V143 HydrophobicContact CB-CG2 4.39Å; Q140-V143 WeakPolarHBondContact O-CB 3.43Å; Q140-V143 PolarHBondContact O-N 2.9Å; E141-V143 VanDerWaalsContact C-N 3.3Å; E141-V143 PolarHBondContact O-N 2.84Å; V143-L145 PolarHBondContact O-N 3.47Å; V143-S146 PolarHBondContact O-N 3.44Å; V143-V147 HydrophobicContact CG1-CG2 4.21Å; V143-V147 WeakPolarHBondContact O-CB 3.2Å; V143-V147 VanDerWaalsContact O-CG2 3.3Å; V143-V147 WeakPolarHBondContact O-CG2 3.18Å; V143-V147 PolarHBondContact O-N 3.27Å |
| 144 | T | 89.9 | Confident | 91 | Very high | 20 Ų | 20 | 66.1 Ų | 66.1 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.7 | -51.9 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | Y135 L136 Q140 E141 S146 V147 D148 | Y135-T144 HydrophobicContact CD2-CG2 4.27Å; Y135-T144 HydrophobicContact CE2-CG2 3.77Å; L136-T144 HydrophobicContact CD1-CG2 3.52Å; L136-T144 PolarHBondContact N-OG1 3.45Å; Q140-T144 PolarHBondContact O-N 2.95Å; E141-T144 PolarHBondContact O-N 3.44Å; T144-S146 VanDerWaalsContact C-N 3.31Å; T144-S146 PolarHBondContact O-N 3.37Å; T144-V147 PolarHBondContact O-N 3.38Å; T144-D148 WeakPolarHBondContact O-CB 3.31Å; T144-D148 VanDerWaalsContact O-CG 3.3Å; T144-D148 PolarHBondContact O-N 3.46Å |
| 145 | L | 90.4 | Very high | 91.2 | Very high | 126 Ų | 126 | 68.6 Ų | 68.6 | 66% | 0.66 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 178.9 | -176.9 | 68.8 | 0 | 0 | 0 | 111.9 | E141 V143 K149 | E141-L145 WeakPolarHBondContact O-CB 3.19Å; E141-L145 PolarHBondContact O-N 3.27Å; V143-L145 PolarHBondContact O-N 3.47Å; L145-K149 VanDerWaalsContact O-CB 3.25Å; L145-K149 WeakPolarHBondContact O-CB 3.3Å; L145-K149 PolarHBondContact O-N 3.22Å |
| 146 | S | 90.1 | Very high | 91.4 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 53% | 0.531 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 179.2 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | S142 V143 T144 L150 | S142-S146 VanDerWaalsContact O-CB 3.29Å; S142-S146 WeakPolarHBondContact O-CB 2.99Å; S142-S146 PolarHBondContact O-N 3.02Å; S142-S146 PolarHBondContact O-OG 2.91Å; V143-S146 PolarHBondContact O-N 3.44Å; T144-S146 VanDerWaalsContact C-N 3.31Å; T144-S146 PolarHBondContact O-N 3.37Å; S146-L150 VanDerWaalsContact O-CB 3.22Å; S146-L150 WeakPolarHBondContact O-CB 3.16Å; S146-L150 PolarHBondContact O-N 2.86Å |
| 147 | V | 93.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.6 | -46 | 176.8 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | M131 Y135 V143 T144 K149 L150 Q151 W165 | M131-V147 HydrophobicContact CE-CG1 4.15Å; M131-V147 HydrophobicContact CE-CG2 4.4Å; M131-V147 HydrophobicContact CG-CG1 4.06Å; M131-V147 HydrophobicContact CG-CG2 3.76Å; Y135-V147 HydrophobicContact CD2-CB 3.99Å; Y135-V147 HydrophobicContact CD2-CG1 3.84Å; Y135-V147 HydrophobicContact CD2-CG2 4.45Å; Y135-V147 HydrophobicContact CE2-CB 4.15Å; Y135-V147 HydrophobicContact CE2-CG1 3.88Å; V143-V147 HydrophobicContact CG1-CG2 4.21Å; V143-V147 WeakPolarHBondContact O-CB 3.2Å; V143-V147 VanDerWaalsContact O-CG2 3.3Å; V143-V147 WeakPolarHBondContact O-CG2 3.18Å; V143-V147 PolarHBondContact O-N 3.27Å; T144-V147 PolarHBondContact O-N 3.38Å; V147-K149 VanDerWaalsContact C-N 3.32Å; V147-K149 PolarHBondContact O-N 3.38Å; V147-L150 WeakPolarHBondContact O-CB 3.37Å; V147-L150 PolarHBondContact O-N 2.85Å; V147-Q151 WeakPolarHBondContact O-CG 3.21Å; V147-Q151 PolarHBondContact O-N 3.32Å; V147-W165 HydrophobicContact CG1-CH2 3.91Å; V147-W165 HydrophobicContact CG1-CZ2 3.94Å |
| 148 | D | 94.1 | Very high | 91.8 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 179.6 | -71.3 | -17 | 0 | 0 | 0 | 111.3 | Y135 T144 Q151 Q152 S183 | Y135-D148 VanDerWaalsContact CE2-OD1 3.29Å; Y135-D148 WeakPolarHBondContact CE2-OD1 3.47Å; Y135-D148 PolarHBondContact OH-OD1 3.44Å; T144-D148 WeakPolarHBondContact O-CB 3.31Å; T144-D148 VanDerWaalsContact O-CG 3.3Å; T144-D148 PolarHBondContact O-N 3.46Å; D148-Q151 PolarHBondContact O-N 3.49Å; D148-Q152 PolarHBondContact O-N 2.77Å; D148-Q152 VanDerWaalsContact O-N 3.14Å; D148-S183 VanDerWaalsContact OD1-CB 3.27Å; D148-S183 WeakPolarHBondContact OD1-CB 3.16Å; D148-S183 PolarHBondContact OD1-OG 3.42Å |
| 149 | K | 92 | Very high | 92 | Very high | 133 Ų | 133 | 55.7 Ų | 55.7 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.1 | -47.5 | 175 | -172.6 | 178.6 | 179.9 | -174.6 | 0 | 111.4 | L145 V147 Q151 Q152 E153 | L145-K149 VanDerWaalsContact O-CB 3.25Å; L145-K149 WeakPolarHBondContact O-CB 3.3Å; L145-K149 PolarHBondContact O-N 3.22Å; V147-K149 VanDerWaalsContact C-N 3.32Å; V147-K149 PolarHBondContact O-N 3.38Å; K149-Q151 VanDerWaalsContact C-N 3.31Å; K149-Q151 PolarHBondContact O-N 3.03Å; K149-Q152 PolarHBondContact O-N 3.31Å; K149-E153 VanDerWaalsContact CE-OE2 3.23Å; K149-E153 WeakPolarHBondContact CE-OE2 3.32Å; K149-E153 WeakPolarHBondContact O-CB 3Å; K149-E153 PolarHBondContact O-N 2.64Å |
| 150 | L | 92.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.1 | -47.9 | 177.6 | -178.5 | 77.8 | 0 | 0 | 0 | 111.1 | L127 M131 S146 V147 Q152 F154 C208 L212 | L127-L150 HydrophobicContact CD1-CD2 3.89Å; L127-L150 HydrophobicContact CD2-CD2 3.95Å; L127-L150 HydrophobicContact CG-CD2 4.5Å; M131-L150 HydrophobicContact CE-CD2 3.62Å; S146-L150 VanDerWaalsContact O-CB 3.22Å; S146-L150 WeakPolarHBondContact O-CB 3.16Å; S146-L150 PolarHBondContact O-N 2.86Å; V147-L150 WeakPolarHBondContact O-CB 3.37Å; V147-L150 PolarHBondContact O-N 2.85Å; L150-Q152 PolarHBondContact O-N 3.11Å; L150-F154 HydrophobicContact CD1-CD2 3.43Å; L150-F154 VanDerWaalsContact CD1-CD2 3.43Å; L150-F154 HydrophobicContact CD1-CE2 3.71Å; L150-F154 HydrophobicContact CD1-CG 4.38Å; L150-F154 HydrophobicContact CG-CD2 4.18Å; L150-F154 WeakPolarHBondContact O-CB 3.03Å; L150-F154 WeakPolarHBondContact O-CD2 3.41Å; L150-F154 PolarHBondContact O-N 2.98Å; L150-C208 HydrophobicContact CD2-CB 3.81Å; L150-C208 HydrophobicContact CG-CB 4.3Å; L150-L212 HydrophobicContact CD1-CB 4.32Å; L150-L212 HydrophobicContact CD1-CD1 3.97Å; L150-L212 HydrophobicContact CD1-CD2 4.01Å; L150-L212 HydrophobicContact CD1-CG 4.33Å |
| 151 | Q | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | -178.6 | -72.7 | -176.9 | -14.5 | 0 | 0 | 113 | V147 D148 K149 K155 C156 S183 C184 | V147-Q151 WeakPolarHBondContact O-CG 3.21Å; V147-Q151 PolarHBondContact O-N 3.32Å; D148-Q151 PolarHBondContact O-N 3.49Å; K149-Q151 VanDerWaalsContact C-N 3.31Å; K149-Q151 PolarHBondContact O-N 3.03Å; Q151-K155 CarbonylContact O-C 3.11Å; Q151-K155 WeakPolarHBondContact O-CA 3.35Å; Q151-K155 PolarHBondContact O-N 2.03Å; Q151-C156 WeakPolarHBondContact CA-O 3.39Å; Q151-C156 WeakPolarHBondContact CB-O 3.37Å; Q151-C156 WeakPolarHBondContact CG-O 3.13Å; Q151-C156 PolarHBondContact O-N 3.35Å; Q151-S183 VanDerWaalsContact CB-O 3.31Å; Q151-S183 WeakPolarHBondContact CB-O 3.25Å; Q151-S183 PolarHBondContact OE1-OG 3.26Å; Q151-C184 VanDerWaalsContact CD-SG 3.51Å; Q151-C184 PolarHBondContact NE2-SG 3.3Å; Q151-C184 VanDerWaalsContact NE2-SG 3.37Å; Q151-C184 PolarHBondContact OE1-SG 2.88Å |
| 152 | Q | 95.6 | Very high | 92.8 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -74.4 | -41.3 | 178.9 | -73 | -65.3 | -50.5 | 0 | 0 | 112.8 | D148 K149 L150 S183 C185 | D148-Q152 PolarHBondContact O-N 2.77Å; D148-Q152 VanDerWaalsContact O-N 3.14Å; K149-Q152 PolarHBondContact O-N 3.31Å; L150-Q152 PolarHBondContact O-N 3.11Å; Q152-S183 PolarHBondContact NE2-O 2.92Å; Q152-C185 PolarHBondContact NE2-O 2.84Å |
| 153 | E | 94.1 | Very high | 93.2 | Very high | 110 Ų | 110 | 47.7 Ų | 47.7 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.6 | -44.4 | -177.9 | -171.2 | 164.2 | -173 | 0 | 0 | 111.4 | K149 | K149-E153 VanDerWaalsContact CE-OE2 3.23Å; K149-E153 WeakPolarHBondContact CE-OE2 3.32Å; K149-E153 WeakPolarHBondContact O-CB 3Å; K149-E153 PolarHBondContact O-N 2.64Å |
| 154 | F | 94.2 | Very high | 93.5 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1.8 | 179.9 | -65.7 | -79.6 | 0 | 0 | 0 | 114 | L150 C156 K211 L212 Y215 | L150-F154 HydrophobicContact CD1-CD2 3.43Å; L150-F154 VanDerWaalsContact CD1-CD2 3.43Å; L150-F154 HydrophobicContact CD1-CE2 3.71Å; L150-F154 HydrophobicContact CD1-CG 4.38Å; L150-F154 HydrophobicContact CG-CD2 4.18Å; L150-F154 WeakPolarHBondContact O-CB 3.03Å; L150-F154 WeakPolarHBondContact O-CD2 3.41Å; L150-F154 PolarHBondContact O-N 2.98Å; F154-C156 VanDerWaalsContact C-N 3.32Å; F154-C156 PolarHBondContact O-N 3.05Å; F154-K211 HydrophobicContact CB-CB 3.98Å; F154-K211 HydrophobicContact CD1-CB 4.22Å; F154-K211 HydrophobicContact CG-CB 4.39Å; F154-L212 HydrophobicContact CE2-CD1 4.34Å; F154-L212 HydrophobicContact CZ-CD1 4.36Å; F154-Y215 VanDerWaalsContact CE1-CB 3.49Å; F154-Y215 HydrophobicContact CE1-CD1 4.16Å; F154-Y215 AromaticContact CE1-CD2 3.71Å; F154-Y215 HydrophobicContact CE1-CD2 3.71Å; F154-Y215 HydrophobicContact CE1-CE2 4.49Å; F154-Y215 AromaticContact CE1-CG 3.51Å; F154-Y215 HydrophobicContact CE1-CG 3.51Å; F154-Y215 AromaticContact CZ-CD1 3.81Å; F154-Y215 HydrophobicContact CZ-CD1 3.81Å; F154-Y215 HydrophobicContact CZ-CD2 4.01Å; F154-Y215 HydrophobicContact CZ-CE1 4.3Å; F154-Y215 HydrophobicContact CZ-CE2 4.47Å; F154-Y215 AromaticContact CZ-CG 3.65Å; F154-Y215 HydrophobicContact CZ-CG 3.65Å |
| 155 | K | 95.8 | Very high | 93.6 | Very high | 127 Ų | 127 | 46.2 Ų | 46.2 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 52.3 | 177.4 | -60.6 | 178.8 | -177.8 | 173.6 | 0 | 111.5 | Q151 Y202 V204 | Q151-K155 CarbonylContact O-C 3.11Å; Q151-K155 WeakPolarHBondContact O-CA 3.35Å; Q151-K155 PolarHBondContact O-N 2.03Å; K155-Y202 HydrophobicContact CB-CD1 3.65Å; K155-Y202 HydrophobicContact CB-CD2 4.49Å; K155-Y202 HydrophobicContact CB-CE1 3.58Å; K155-Y202 HydrophobicContact CB-CE2 4.43Å; K155-Y202 HydrophobicContact CB-CG 4.13Å; K155-Y202 HydrophobicContact CD-CE1 4.26Å; K155-Y202 HydrophobicContact CG-CD1 4.36Å; K155-Y202 HydrophobicContact CG-CE1 3.77Å; K155-Y202 VanDerWaalsContact O-CB 3.3Å; K155-Y202 WeakPolarHBondContact O-CB 3.3Å; K155-V204 WeakPolarHBondContact O-CG2 3.2Å |
| 156 | C | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -131.6 | 165.2 | -175.3 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | Q151 F154 C208 | Q151-C156 WeakPolarHBondContact CA-O 3.39Å; Q151-C156 WeakPolarHBondContact CB-O 3.37Å; Q151-C156 WeakPolarHBondContact CG-O 3.13Å; Q151-C156 PolarHBondContact O-N 3.35Å; F154-C156 VanDerWaalsContact C-N 3.32Å; F154-C156 PolarHBondContact O-N 3.05Å; C156-C208 VanDerWaalsContact C-SG 3.57Å; C156-C208 HydrophobicContact CB-CB 3.92Å; C156-C208 WeakPolarHBondContact CB-SG 3.16Å; C156-C208 WeakPolarHBondContact SG-CA 3.06Å; C156-C208 WeakPolarHBondContact SG-CB 3.31Å; C156-C208 CovalentContact SG-SG 2.03Å; C156-C208 PolarHBondContact SG-SG 2.95Å | ||
| 157 | C | 96.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | trans | -143.5 | 123.4 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | N161 F162 C184 Y202 | C157-N161 CarbonylContact O-C 3.4Å; C157-F162 HydrophobicContact CB-CB 4.12Å; C157-F162 WeakPolarHBondContact O-CA 3.45Å; C157-F162 PolarHBondContact O-N 2.91Å; C157-C184 WeakPolarHBondContact CA-SG 2.95Å; C157-C184 HydrophobicContact CB-CB 3.64Å; C157-C184 WeakPolarHBondContact CB-SG 3.28Å; C157-C184 WeakPolarHBondContact SG-CB 3.02Å; C157-C184 CovalentContact SG-SG 2.03Å; C157-C184 PolarHBondContact SG-SG 3.03Å; C157-Y202 WeakPolarHBondContact CB-O 3.41Å | ||
| 158 | G | 94.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 73.5 | 175.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N161 C208 | G158-N161 WeakPolarHBondContact CA-O 3.23Å; G158-C208 VanDerWaalsContact O-CB 3.25Å; G158-C208 WeakPolarHBondContact O-CB 3.27Å; G158-C208 PolarHBondContact O-N 2.93Å; G158-C208 PolarHBondContact O-SG 3.47Å |
| 159 | S | 93.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -70.7 | -60.6 | -174.5 | 166.2 | 0 | 0 | 0 | 0 | 110.9 | K128 D164 G207 C208 V209 | K128-S159 WeakPolarHBondContact CB-OG 3.25Å; S159-D164 PolarHBondContact N-OD2 3.05Å; S159-D164 VanDerWaalsContact N-OD2 3.15Å; S159-G207 CarbonylContact O-C 3.57Å; S159-G207 WeakPolarHBondContact O-CA 3.3Å; S159-C208 PolarHBondContact O-N 3.48Å; S159-V209 WeakPolarHBondContact O-CB 3.37Å; S159-V209 WeakPolarHBondContact O-CG2 3.43Å; S159-V209 PolarHBondContact O-N 3.1Å; S159-V209 WeakPolarHBondContact OG-CG2 3.43Å |
| 160 | H | 92.8 | Very high | 93.4 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 35% | 0.352 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -104.8 | -30.8 | 171.8 | -66.9 | -73.8 | 0 | 0 | 0 | 111.9 | D164 G206 G207 | H160-D164 PolarHBondContact N-OD2 2.97Å; H160-G206 CarbonylContact O-C 3.58Å; H160-G207 VanDerWaalsContact O-CA 3.27Å; H160-G207 WeakPolarHBondContact O-CA 3.31Å; H160-G207 PolarHBondContact O-N 3.17Å |
| 161 | N | 92.9 | Very high | 93.3 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 35% | 0.353 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -157.1 | 165 | 176.8 | 70.1 | 65.7 | 0 | 0 | 0 | 112 | C157 G158 S163 D164 | C157-N161 CarbonylContact O-C 3.4Å; G158-N161 WeakPolarHBondContact CA-O 3.23Å; N161-S163 PolarHBondContact O-N 3.48Å; N161-S163 VanDerWaalsContact O-N 3.14Å; N161-S163 WeakPolarHBondContact OD1-CA 3.36Å; N161-S163 WeakPolarHBondContact OD1-CB 3.47Å; N161-S163 PolarHBondContact OD1-N 3.47Å; N161-D164 PolarHBondContact N-OD2 2.95Å; N161-D164 VanDerWaalsContact O-CB 3.31Å; N161-D164 WeakPolarHBondContact O-CB 3.39Å; N161-D164 VanDerWaalsContact O-CG 3.31Å; N161-D164 PolarHBondContact O-N 3.35Å; N161-D164 VanDerWaalsContact O-OD2 3.1Å; N161-D164 PolarHBondContact OD1-N 3.25Å; N161-D164 VanDerWaalsContact OD1-N 3.16Å |
| 162 | F | 93.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 54 Ų | 54 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -61.3 | -24.1 | -179.8 | 73.9 | -87.2 | 0 | 0 | 0 | 113.9 | C157 D164 W165 V180 D196 I201 R203 | C157-F162 HydrophobicContact CB-CB 4.12Å; C157-F162 WeakPolarHBondContact O-CA 3.45Å; C157-F162 PolarHBondContact O-N 2.91Å; F162-D164 VanDerWaalsContact C-N 3.28Å; F162-D164 PolarHBondContact O-N 3.45Å; F162-W165 VanDerWaalsContact O-CD1 3.32Å; F162-V180 HydrophobicContact CB-CG1 4.14Å; F162-V180 HydrophobicContact CD2-CG1 4.4Å; F162-D196 HydrophobicContact CD2-CB 4.06Å; F162-D196 HydrophobicContact CE2-CB 4.03Å; F162-D196 WeakPolarHBondContact CE2-OD2 3.35Å; F162-I201 HydrophobicContact CB-CD1 3.79Å; F162-I201 HydrophobicContact CD2-CD1 4.14Å; F162-I201 HydrophobicContact CG-CD1 3.9Å; F162-R203 HydrophobicContact CD1-CG 4.35Å |
| 163 | S | 92.8 | Very high | 92 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -75.3 | -13.7 | 177.8 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | N161 W165 R166 | N161-S163 PolarHBondContact O-N 3.48Å; N161-S163 VanDerWaalsContact O-N 3.14Å; N161-S163 WeakPolarHBondContact OD1-CA 3.36Å; N161-S163 WeakPolarHBondContact OD1-CB 3.47Å; N161-S163 PolarHBondContact OD1-N 3.47Å; S163-W165 PolarHBondContact O-N 3.25Å; S163-W165 VanDerWaalsContact O-N 3.09Å; S163-R166 WeakPolarHBondContact O-CB 3.13Å; S163-R166 WeakPolarHBondContact O-CG 3.38Å; S163-R166 PolarHBondContact O-N 3.06Å; S163-R166 PolarHBondContact OG-NE 3.07Å; S163-R166 PolarHBondContact OG-NH2 2.9Å |
| 164 | D | 92.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -57.3 | -24.4 | 172.1 | -68.2 | -36.6 | 0 | 0 | 0 | 112.2 | K128 Q132 S159 H160 N161 F162 R166 D167 | K128-D164 IonicContact NZ-OD1 3.89Å; Q132-D164 PolarHBondContact NE2-O 2.69Å; S159-D164 PolarHBondContact N-OD2 3.05Å; S159-D164 VanDerWaalsContact N-OD2 3.15Å; H160-D164 PolarHBondContact N-OD2 2.97Å; N161-D164 PolarHBondContact N-OD2 2.95Å; N161-D164 VanDerWaalsContact O-CB 3.31Å; N161-D164 WeakPolarHBondContact O-CB 3.39Å; N161-D164 VanDerWaalsContact O-CG 3.31Å; N161-D164 PolarHBondContact O-N 3.35Å; N161-D164 VanDerWaalsContact O-OD2 3.1Å; N161-D164 PolarHBondContact OD1-N 3.25Å; N161-D164 VanDerWaalsContact OD1-N 3.16Å; F162-D164 VanDerWaalsContact C-N 3.28Å; F162-D164 PolarHBondContact O-N 3.45Å; D164-R166 VanDerWaalsContact C-N 3.29Å; D164-R166 PolarHBondContact O-N 3.16Å; D164-D167 PolarHBondContact O-N 3.14Å |
| 165 | W | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -65.7 | -27.7 | 175.6 | -72.6 | 111.8 | 0 | 0 | 0 | 113.4 | M131 Y135 V147 F162 S163 D167 S168 W170 I171 V180 P181 | M131-W165 HydrophobicContact CB-CH2 3.99Å; M131-W165 HydrophobicContact CB-CZ2 4.3Å; M131-W165 HydrophobicContact CG-CH2 4.27Å; M131-W165 HydrophobicContact CG-CZ2 4.31Å; M131-W165 WeakPolarHBondContact O-CZ3 3.34Å; M131-W165 HydrophobicContact SD-CZ2 4.31Å; Y135-W165 AromaticContact CD1-CH2 3.91Å; Y135-W165 HydrophobicContact CD1-CH2 3.91Å; Y135-W165 AromaticContact CD1-CZ3 3.53Å; Y135-W165 HydrophobicContact CD1-CZ3 3.53Å; Y135-W165 AromaticContact CD2-CH2 3.78Å; Y135-W165 HydrophobicContact CD2-CH2 3.78Å; Y135-W165 HydrophobicContact CD2-CZ3 4.23Å; Y135-W165 HydrophobicContact CE1-CH2 4.34Å; Y135-W165 HydrophobicContact CE1-CZ3 4.17Å; Y135-W165 HydrophobicContact CE2-CH2 4.23Å; Y135-W165 AromaticContact CG-CH2 3.62Å; Y135-W165 HydrophobicContact CG-CH2 3.62Å; Y135-W165 AromaticContact CG-CZ3 3.58Å; Y135-W165 HydrophobicContact CG-CZ3 3.58Å; V147-W165 HydrophobicContact CG1-CH2 3.91Å; V147-W165 HydrophobicContact CG1-CZ2 3.94Å; F162-W165 VanDerWaalsContact O-CD1 3.32Å; S163-W165 PolarHBondContact O-N 3.25Å; S163-W165 VanDerWaalsContact O-N 3.09Å; W165-D167 PolarHBondContact O-N 2.93Å; W165-S168 VanDerWaalsContact O-CB 3.27Å; W165-S168 WeakPolarHBondContact O-CB 3.14Å; W165-S168 PolarHBondContact O-N 2.9Å; W165-S168 PolarHBondContact O-OG 3.15Å; W165-W170 HydrophobicContact CE3-CE3 4.14Å; W165-W170 HydrophobicContact CE3-CZ3 4.42Å; W165-W170 HydrophobicContact CZ3-CE3 4.43Å; W165-I171 HydrophobicContact CB-CD1 3.9Å; W165-I171 VanDerWaalsContact O-CD1 3.28Å; W165-I171 WeakPolarHBondContact O-CD1 3.27Å; W165-I171 WeakPolarHBondContact O-CG1 3.31Å; W165-V180 HydrophobicContact CB-CG1 4.35Å; W165-V180 HydrophobicContact CG-CB 4.46Å; W165-V180 HydrophobicContact CG-CG1 4.3Å; W165-P181 HydrophobicContact CD2-CG 3.77Å; W165-P181 HydrophobicContact CE3-CG 3.89Å; W165-P181 HydrophobicContact CH2-CG 3.63Å; W165-P181 HydrophobicContact CZ2-CG 3.5Å; W165-P181 HydrophobicContact CZ3-CG 3.81Å |
| 166 | R | 91.2 | Very high | 88.5 | Confident | 150 Ų | 150 | 55.6 Ų | 55.6 | 57% | 0.566 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -59.8 | -31.7 | -179.6 | -61.8 | -176.7 | -150.9 | -168.8 | 9.3 | 112.4 | S163 D164 | S163-R166 WeakPolarHBondContact O-CB 3.13Å; S163-R166 WeakPolarHBondContact O-CG 3.38Å; S163-R166 PolarHBondContact O-N 3.06Å; S163-R166 PolarHBondContact OG-NE 3.07Å; S163-R166 PolarHBondContact OG-NH2 2.9Å; D164-R166 VanDerWaalsContact C-N 3.29Å; D164-R166 PolarHBondContact O-N 3.16Å |
| 167 | D | 89.1 | Confident | 87.9 | Confident | 94 Ų | 94 | 62 Ų | 62 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -90.5 | 0.6 | -180 | -57.2 | -39.2 | 0 | 0 | 0 | 112.6 | D164 W165 R172 | D164-D167 PolarHBondContact O-N 3.14Å; W165-D167 PolarHBondContact O-N 2.93Å; D167-R172 PolarHBondContact O-NE 3.23Å; D167-R172 PolarHBondContact O-NH2 3.4Å |
| 168 | S | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -70.8 | 148.9 | -179.9 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | Q132 W165 W170 I171 R172 | Q132-S168 CarbonylContact O-C 3.51Å; Q132-S168 VanDerWaalsContact O-CA 3.3Å; Q132-S168 WeakPolarHBondContact O-CA 3.37Å; W165-S168 VanDerWaalsContact O-CB 3.27Å; W165-S168 WeakPolarHBondContact O-CB 3.14Å; W165-S168 PolarHBondContact O-N 2.9Å; W165-S168 PolarHBondContact O-OG 3.15Å; S168-W170 PolarHBondContact O-N 2.9Å; S168-I171 PolarHBondContact O-N 3.34Å; S168-I171 WeakPolarHBondContact OG-CG1 3.46Å; S168-I171 PolarHBondContact OG-N 3.01Å; S168-R172 WeakPolarHBondContact O-CG 3.17Å; S168-R172 PolarHBondContact O-N 2.94Å; S168-R172 VanDerWaalsContact O-N 3.1Å; S168-R172 PolarHBondContact O-NE 2.73Å |
| 169 | E | 92.1 | Very high | 87.5 | Confident | 82 Ų | 82 | 67 Ų | 67 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -31.6 | 173.7 | -66.7 | -173.2 | 179.5 | 0 | 0 | 111.4 | Q132 R172 G173 | Q132-E169 PolarHBondContact O-N 3.28Å; E169-R172 PolarHBondContact O-N 3.47Å; E169-G173 PolarHBondContact O-N 3.48Å |
| 170 | W | 90.3 | Very high | 87.6 | Confident | 31 Ų | 31 | 67 Ų | 67 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 174.4 | 170 | 61.8 | 0 | 0 | 0 | 112.6 | Y135 L136 W165 S168 Q178 P181 | Y135-W170 HydrophobicContact CD1-CB 4.2Å; Y135-W170 AromaticContact CD1-CD2 3.97Å; Y135-W170 HydrophobicContact CD1-CD2 3.97Å; Y135-W170 HydrophobicContact CD1-CE3 4Å; Y135-W170 HydrophobicContact CD1-CG 4.04Å; Y135-W170 HydrophobicContact CE1-CD2 4.01Å; Y135-W170 HydrophobicContact CE1-CE3 4.02Å; Y135-W170 HydrophobicContact CE1-CG 4.44Å; Y135-W170 HydrophobicContact CE1-CZ3 4.39Å; L136-W170 HydrophobicContact CB-CG 4.16Å; W165-W170 HydrophobicContact CE3-CE3 4.14Å; W165-W170 HydrophobicContact CE3-CZ3 4.42Å; W165-W170 HydrophobicContact CZ3-CE3 4.43Å; S168-W170 PolarHBondContact O-N 2.9Å; W170-Q178 HydrophobicContact CH2-CB 3.76Å; W170-Q178 HydrophobicContact CZ2-CB 4.16Å; W170-P181 HydrophobicContact CH2-CG 4.43Å; W170-P181 HydrophobicContact CZ3-CG 3.94Å |
| 171 | I | 90 | Very high | 87.7 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.8 | -35.4 | 176.4 | -69.2 | -162.5 | 0 | 0 | 0 | 112.4 | W165 S168 G173 T176 L179 | W165-I171 HydrophobicContact CB-CD1 3.9Å; W165-I171 VanDerWaalsContact O-CD1 3.28Å; W165-I171 WeakPolarHBondContact O-CD1 3.27Å; W165-I171 WeakPolarHBondContact O-CG1 3.31Å; S168-I171 PolarHBondContact O-N 3.34Å; S168-I171 WeakPolarHBondContact OG-CG1 3.46Å; S168-I171 PolarHBondContact OG-N 3.01Å; I171-G173 VanDerWaalsContact C-N 3.32Å; I171-T176 HydrophobicContact CB-CG2 4.5Å; I171-T176 HydrophobicContact CG1-CG2 4.45Å; I171-L179 WeakPolarHBondContact CD1-O 3.34Å |
| 172 | R | 86.1 | Confident | 87.8 | Confident | 173 Ų | 173 | 62.1 Ų | 62.1 | 65% | 0.653 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -75 | -19.5 | 179.3 | -72.5 | -173.5 | -79.8 | 163.5 | -5.6 | 113.8 | D167 S168 E169 | D167-R172 PolarHBondContact O-NE 3.23Å; D167-R172 PolarHBondContact O-NH2 3.4Å; S168-R172 WeakPolarHBondContact O-CG 3.17Å; S168-R172 PolarHBondContact O-N 2.94Å; S168-R172 VanDerWaalsContact O-N 3.1Å; S168-R172 PolarHBondContact O-NE 2.73Å; E169-R172 PolarHBondContact O-N 3.47Å |
| 173 | G | 79.1 | Confident | 87.9 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -64.4 | 155.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E169 I171 G175 | E169-G173 PolarHBondContact O-N 3.48Å; I171-G173 VanDerWaalsContact C-N 3.32Å; G173-G175 PolarHBondContact O-N 2.93Å |
| 174 | E | 64.8 | Low | 88.1 | Confident | 208 Ų | 208 | 59.5 Ų | 59.5 | 97% | 0.972 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 127.4 | 178.2 | -72.1 | -172.7 | 162.1 | 0 | 0 | 111.4 | ||
| 175 | G | 67.2 | Low | 88.3 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 84% | 0.835 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.2 | -2.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118 | G173 | G173-G175 PolarHBondContact O-N 2.93Š|
| 176 | T | 77 | Confident | 88.4 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 24% | 0.239 | 32% | 0.323 | C | S | . | . | trans | -89.2 | 129.3 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 112.8 | I171 Q178 | I171-T176 HydrophobicContact CB-CG2 4.5Å; I171-T176 HydrophobicContact CG1-CG2 4.45Å; T176-Q178 PolarHBondContact OG1-N 3.48Å; T176-Q178 VanDerWaalsContact OG1-N 3.15Å | ||
| 177 | Q | 83.4 | Confident | 88.5 | Confident | 134 Ų | 134 | 61.2 Ų | 61.2 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | trans | -94.3 | 1 | 169.5 | -67.2 | -174.1 | -16.4 | 0 | 0 | 112 | R194 | Q177-R194 HydrophobicContact CB-CG 4.42Å; Q177-R194 WeakPolarHBondContact O-CG 3.22Å | ||
| 178 | Q | 89.6 | Confident | 88.6 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | trans | -86.2 | 142.4 | -177.4 | -69.1 | 162.9 | -81.5 | 0 | 0 | 110.8 | W170 T176 D182 L191 R194 | W170-Q178 HydrophobicContact CH2-CB 3.76Å; W170-Q178 HydrophobicContact CZ2-CB 4.16Å; T176-Q178 PolarHBondContact OG1-N 3.48Å; T176-Q178 VanDerWaalsContact OG1-N 3.15Å; Q178-D182 PolarHBondContact NE2-OD1 2.97Å; Q178-D182 PolarHBondContact NE2-OD2 2.9Å; Q178-L191 HydrophobicContact CG-CD2 4.14Å; Q178-R194 HydrophobicContact CG-CG 4Å | ||
| 179 | L | 93.1 | Very high | 88.7 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -91.7 | -23.4 | 175.1 | -61.3 | 175.1 | 0 | 0 | 0 | 111.9 | I171 G193 D196 | I171-L179 WeakPolarHBondContact CD1-O 3.34Å; L179-G193 PolarHBondContact N-O 2.9Å; L179-D196 HydrophobicContact CD1-CB 4.19Å |
| 180 | V | 95.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -148.9 | 161.6 | 178.3 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | F162 W165 C184 G193 I201 | F162-V180 HydrophobicContact CB-CG1 4.14Å; F162-V180 HydrophobicContact CD2-CG1 4.4Å; W165-V180 HydrophobicContact CB-CG1 4.35Å; W165-V180 HydrophobicContact CG-CB 4.46Å; W165-V180 HydrophobicContact CG-CG1 4.3Å; V180-C184 HydrophobicContact CB-CB 4.07Å; V180-C184 HydrophobicContact CG2-CB 3.78Å; V180-G193 PolarHBondContact N-O 3.27Å; V180-G193 VanDerWaalsContact O-CA 3.31Å; V180-G193 WeakPolarHBondContact O-CA 3.47Å; V180-I201 HydrophobicContact CG2-CG2 4.01Å |
| 181 | P | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -55.5 | 152.6 | 169.8 | -31.8 | 40.4 | 0 | 0 | 0 | 114.1 | Y135 W165 W170 S183 C184 | Y135-P181 HydrophobicContact CD1-CG 4.38Å; Y135-P181 HydrophobicContact CE1-CB 4.16Å; Y135-P181 HydrophobicContact CE1-CG 3.65Å; Y135-P181 HydrophobicContact CE2-CG 4.39Å; Y135-P181 WeakPolarHBondContact OH-CB 3.49Å; W165-P181 HydrophobicContact CD2-CG 3.77Å; W165-P181 HydrophobicContact CE3-CG 3.89Å; W165-P181 HydrophobicContact CH2-CG 3.63Å; W165-P181 HydrophobicContact CZ2-CG 3.5Å; W165-P181 HydrophobicContact CZ3-CG 3.81Å; W170-P181 HydrophobicContact CH2-CG 4.43Å; W170-P181 HydrophobicContact CZ3-CG 3.94Å; P181-S183 VanDerWaalsContact CB-OG 3.23Å; P181-S183 WeakPolarHBondContact CB-OG 3.26Å; P181-S183 PolarHBondContact O-N 2.87Å; P181-C184 VanDerWaalsContact O-CB 3.28Å; P181-C184 WeakPolarHBondContact O-CB 3.49Å; P181-C184 PolarHBondContact O-N 3.45Å | ||
| 182 | D | 95.3 | Very high | 88.9 | Confident | 40 Ų | 40 | 65 Ų | 65 | 21% | 0.214 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -66.3 | -23.4 | 174.1 | -71.2 | -21.3 | 0 | 0 | 0 | 112.3 | Q178 C184 C185 L191 C192 G193 | Q178-D182 PolarHBondContact NE2-OD1 2.97Å; Q178-D182 PolarHBondContact NE2-OD2 2.9Å; D182-C184 PolarHBondContact O-N 3.3Å; D182-C185 VanDerWaalsContact O-CB 3.27Å; D182-C185 WeakPolarHBondContact O-CB 3.46Å; D182-C185 PolarHBondContact O-N 2.78Å; D182-C185 PolarHBondContact O-SG 3.36Å; D182-C185 VanDerWaalsContact O-SG 3.42Å; D182-L191 WeakPolarHBondContact OD1-CA 3.25Å; D182-L191 PolarHBondContact OD1-N 3.05Å; D182-L191 PolarHBondContact OD2-N 2.7Å; D182-C192 VanDerWaalsContact CA-SG 3.53Å; D182-C192 PolarHBondContact O-SG 3.29Å; D182-C192 PolarHBondContact OD1-N 2.03Å; D182-C192 PolarHBondContact OD1-SG 3.14Å; D182-C192 VanDerWaalsContact OD1-SG 3.38Å; D182-G193 PolarHBondContact OD1-N 3.38Å |
| 183 | S | 95.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 8% | 0.077 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -68.4 | -9.3 | 170.2 | 48.8 | 0 | 0 | 0 | 0 | 114 | D148 Q151 Q152 P181 C185 | D148-S183 VanDerWaalsContact OD1-CB 3.27Å; D148-S183 WeakPolarHBondContact OD1-CB 3.16Å; D148-S183 PolarHBondContact OD1-OG 3.42Å; Q151-S183 VanDerWaalsContact CB-O 3.31Å; Q151-S183 WeakPolarHBondContact CB-O 3.25Å; Q151-S183 PolarHBondContact OE1-OG 3.26Å; Q152-S183 PolarHBondContact NE2-O 2.92Å; P181-S183 VanDerWaalsContact CB-OG 3.23Å; P181-S183 WeakPolarHBondContact CB-OG 3.26Å; P181-S183 PolarHBondContact O-N 2.87Å; S183-C185 VanDerWaalsContact C-N 3.34Å |
| 184 | C | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -80.2 | -14.8 | 166.9 | -77.9 | 0 | 0 | 0 | 0 | 113.5 | Q151 C157 V180 P181 D182 I201 Y202 | Q151-C184 VanDerWaalsContact CD-SG 3.51Å; Q151-C184 PolarHBondContact NE2-SG 3.3Å; Q151-C184 VanDerWaalsContact NE2-SG 3.37Å; Q151-C184 PolarHBondContact OE1-SG 2.88Å; C157-C184 WeakPolarHBondContact CA-SG 2.95Å; C157-C184 HydrophobicContact CB-CB 3.64Å; C157-C184 WeakPolarHBondContact CB-SG 3.28Å; C157-C184 WeakPolarHBondContact SG-CB 3.02Å; C157-C184 CovalentContact SG-SG 2.03Å; C157-C184 PolarHBondContact SG-SG 3.03Å; V180-C184 HydrophobicContact CB-CB 4.07Å; V180-C184 HydrophobicContact CG2-CB 3.78Å; P181-C184 VanDerWaalsContact O-CB 3.28Å; P181-C184 WeakPolarHBondContact O-CB 3.49Å; P181-C184 PolarHBondContact O-N 3.45Å; D182-C184 PolarHBondContact O-N 3.3Å; C184-I201 HydrophobicContact CB-CB 4.48Å; C184-I201 CarbonylContact O-C 3.55Å; C184-I201 VanDerWaalsContact O-CA 3.27Å; C184-I201 WeakPolarHBondContact O-CA 3.4Å; C184-I201 WeakPolarHBondContact O-CB 3.25Å; C184-Y202 VanDerWaalsContact O-CD2 3.26Å; C184-Y202 WeakPolarHBondContact O-CD2 3.42Å; C184-Y202 PolarHBondContact O-N 2.95Å |
| 185 | C | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -77.9 | 142.9 | -175.1 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | Q152 D182 S183 T187 C192 N200 | Q152-C185 PolarHBondContact NE2-O 2.84Å; D182-C185 VanDerWaalsContact O-CB 3.27Å; D182-C185 WeakPolarHBondContact O-CB 3.46Å; D182-C185 PolarHBondContact O-N 2.78Å; D182-C185 PolarHBondContact O-SG 3.36Å; D182-C185 VanDerWaalsContact O-SG 3.42Å; S183-C185 VanDerWaalsContact C-N 3.34Å; C185-T187 PolarHBondContact O-N 3.11Å; C185-C192 HydrophobicContact CB-CB 3.91Å; C185-C192 WeakPolarHBondContact CB-SG 3.4Å; C185-C192 WeakPolarHBondContact SG-CB 3.23Å; C185-C192 CovalentContact SG-SG 2.02Å; C185-C192 PolarHBondContact SG-SG 2.86Å; C185-N200 CarbonylContact C-O 3.43Å; C185-N200 WeakPolarHBondContact CA-O 3.42Å |
| 186 | K | 96 | Very high | 92.3 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -64.4 | -30.2 | 173.9 | -59.9 | -173.4 | -168.7 | 172.9 | 0 | 112.3 | P198 S199 N200 I201 Y202 | K186-P198 VanDerWaalsContact CE-O 3.31Å; K186-P198 WeakPolarHBondContact CE-O 3.49Å; K186-P198 PolarHBondContact NZ-O 3.37Å; K186-S199 WeakPolarHBondContact CD-O 3.33Å; K186-N200 PolarHBondContact N-O 3.47Å; K186-I201 WeakPolarHBondContact CE-O 3.31Å; K186-Y202 HydrophobicContact CB-CE1 4.24Å; K186-Y202 HydrophobicContact CG-CD1 3.89Å; K186-Y202 HydrophobicContact CG-CE1 3.72Å |
| 187 | T | 94.4 | Very high | 93.1 | Very high | 108 Ų | 108 | 61.2 Ų | 61.2 | 66% | 0.663 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -125.9 | 97.3 | 173 | -52.9 | 0 | 0 | 0 | 0 | 107.2 | C185 S189 | C185-T187 PolarHBondContact O-N 3.11Å; T187-S189 PolarHBondContact O-N 2.82Å |
| 188 | P | 91.5 | Very high | 93.5 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 49% | 0.494 | 30% | 0.302 | S | S | . | . | trans | -59 | 123 | -179.5 | -25.4 | 35.2 | 0 | 0 | 0 | 110.6 | ||||
| 189 | S | 93.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | trans | -147.6 | 155 | 170.4 | 70.2 | 0 | 0 | 0 | 0 | 108.3 | T187 L191 C192 | T187-S189 PolarHBondContact O-N 2.82Å; S189-L191 PolarHBondContact O-N 2.83Å; S189-L191 VanDerWaalsContact O-N 3.17Å; S189-C192 WeakPolarHBondContact O-CB 3.25Å; S189-C192 PolarHBondContact O-N 3.37Å; S189-C192 VanDerWaalsContact O-N 3.09Å; S189-C192 PolarHBondContact O-SG 2.95Å; S189-C192 WeakPolarHBondContact OG-CB 3.36Å | ||
| 190 | S | 92.1 | Very high | 93.8 | Very high | 103 Ų | 103 | 58.5 Ų | 58.5 | 72% | 0.72 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 126.4 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | C192 | S190-C192 PolarHBondContact O-N 2.87Š|
| 191 | L | 91.8 | Very high | 93.8 | Very high | 67 Ų | 67 | 58.5 Ų | 58.5 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 19.7 | 176 | -56.2 | 162.1 | 0 | 0 | 0 | 114.8 | Q178 D182 S189 G193 R194 | Q178-L191 HydrophobicContact CG-CD2 4.14Å; D182-L191 WeakPolarHBondContact OD1-CA 3.25Å; D182-L191 PolarHBondContact OD1-N 3.05Å; D182-L191 PolarHBondContact OD2-N 2.7Å; S189-L191 PolarHBondContact O-N 2.83Å; S189-L191 VanDerWaalsContact O-N 3.17Å; L191-G193 PolarHBondContact O-N 3.46Å; L191-R194 HydrophobicContact CB-CG 4.35Å; L191-R194 WeakPolarHBondContact O-CG 3.09Å; L191-R194 PolarHBondContact O-N 3.37Å |
| 192 | C | 94.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 60 Ų | 60 | 8% | 0.081 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -62.2 | -29.1 | 173.9 | 67.4 | 0 | 0 | 0 | 0 | 112 | D182 C185 S189 S190 R194 R195 N200 | D182-C192 VanDerWaalsContact CA-SG 3.53Å; D182-C192 PolarHBondContact O-SG 3.29Å; D182-C192 PolarHBondContact OD1-N 2.03Å; D182-C192 PolarHBondContact OD1-SG 3.14Å; D182-C192 VanDerWaalsContact OD1-SG 3.38Å; C185-C192 HydrophobicContact CB-CB 3.91Å; C185-C192 WeakPolarHBondContact CB-SG 3.4Å; C185-C192 WeakPolarHBondContact SG-CB 3.23Å; C185-C192 CovalentContact SG-SG 2.02Å; C185-C192 PolarHBondContact SG-SG 2.86Å; S189-C192 WeakPolarHBondContact O-CB 3.25Å; S189-C192 PolarHBondContact O-N 3.37Å; S189-C192 VanDerWaalsContact O-N 3.09Å; S189-C192 PolarHBondContact O-SG 2.95Å; S189-C192 WeakPolarHBondContact OG-CB 3.36Å; S190-C192 PolarHBondContact O-N 2.87Å; C192-R194 PolarHBondContact O-N 3.29Å; C192-R195 PolarHBondContact O-N 3.46Å; C192-N200 PolarHBondContact O-ND2 3.17Å |
| 193 | G | 93.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -67 | -1.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L179 V180 D182 L191 R195 | L179-G193 PolarHBondContact N-O 2.9Å; V180-G193 PolarHBondContact N-O 3.27Å; V180-G193 VanDerWaalsContact O-CA 3.31Å; V180-G193 WeakPolarHBondContact O-CA 3.47Å; D182-G193 PolarHBondContact OD1-N 3.38Å; L191-G193 PolarHBondContact O-N 3.46Å; G193-R195 PolarHBondContact O-N 2.9Å |
| 194 | R | 93.6 | Very high | 93.4 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -66.5 | -20.4 | 171.5 | -69.2 | -176.1 | 175.3 | 177.2 | -2.2 | 113.6 | Q177 Q178 L191 C192 | Q177-R194 HydrophobicContact CB-CG 4.42Å; Q177-R194 WeakPolarHBondContact O-CG 3.22Å; Q178-R194 HydrophobicContact CG-CG 4Å; L191-R194 HydrophobicContact CB-CG 4.35Å; L191-R194 WeakPolarHBondContact O-CG 3.09Å; L191-R194 PolarHBondContact O-N 3.37Å; C192-R194 PolarHBondContact O-N 3.29Å |
| 195 | R | 90.8 | Very high | 92.9 | Very high | 197 Ų | 197 | 73.7 Ų | 73.7 | 74% | 0.743 | 38% | 0.381 | S | S | * | . | trans | -124.1 | 119 | -179.9 | -64.9 | 179.6 | -178.6 | 164.5 | 0.3 | 109.5 | C192 G193 H197 N200 | C192-R195 PolarHBondContact O-N 3.46Å; G193-R195 PolarHBondContact O-N 2.9Å; R195-H197 VanDerWaalsContact C-N 3.27Å; R195-H197 PolarHBondContact O-N 3.39Å; R195-N200 PolarHBondContact O-ND2 3.09Å | ||
| 196 | D | 90.8 | Very high | 92.5 | Very high | 47 Ų | 47 | 74.5 Ų | 74.5 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | trans | -88.3 | 13.9 | -179.2 | 67.8 | -17.9 | 0 | 0 | 0 | 113.3 | F162 L179 I201 R203 | F162-D196 HydrophobicContact CD2-CB 4.06Å; F162-D196 HydrophobicContact CE2-CB 4.03Å; F162-D196 WeakPolarHBondContact CE2-OD2 3.35Å; L179-D196 HydrophobicContact CD1-CB 4.19Å; D196-I201 HydrophobicContact CB-CD1 3.92Å; D196-I201 VanDerWaalsContact O-CD1 3.25Å; D196-I201 WeakPolarHBondContact O-CD1 3.36Å; D196-I201 VanDerWaalsContact O-CG1 3.31Å; D196-I201 WeakPolarHBondContact O-CG1 3.06Å; D196-R203 PolarHBondContact O-NE 2.97Å; D196-R203 PolarHBondContact O-NH2 2.96Å; D196-R203 IonicContact OD1-NH2 3.32Å; D196-R203 IonicContact OD2-NH2 3.55Å | ||
| 197 | H | 93.5 | Very high | 92.3 | Very high | 109 Ų | 109 | 70.1 Ų | 70.1 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | trans | -58.2 | 141.2 | -174.7 | -169 | -93.9 | 0 | 0 | 0 | 112.7 | R195 S199 N200 I201 | R195-H197 VanDerWaalsContact C-N 3.27Å; R195-H197 PolarHBondContact O-N 3.39Å; H197-S199 PolarHBondContact CE1-OG 2.83Å; H197-S199 PolarHBondContact ND1-N 3.42Å; H197-S199 PolarHBondContact ND1-OG 2.87Å; H197-S199 PolarHBondContact O-N 2.71Å; H197-N200 HydrophobicContact CB-CB 4.47Å; H197-N200 WeakPolarHBondContact O-CB 3.31Å; H197-N200 PolarHBondContact O-N 3.47Å; H197-I201 PolarHBondContact O-N 3.5Å; H197-I201 VanDerWaalsContact O-N 3.11Å | ||
| 198 | P | 91.6 | Very high | 92.3 | Very high | 60 Ų | 60 | 65 Ų | 65 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.4 | -178.1 | -23.5 | 29.2 | 0 | 0 | 0 | 116 | K186 | K186-P198 VanDerWaalsContact CE-O 3.31Å; K186-P198 WeakPolarHBondContact CE-O 3.49Å; K186-P198 PolarHBondContact NZ-O 3.37Å |
| 199 | S | 93 | Very high | 92.4 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -23.7 | 174.9 | 65.2 | 0 | 0 | 0 | 0 | 113.1 | K186 H197 | K186-S199 WeakPolarHBondContact CD-O 3.33Å; H197-S199 PolarHBondContact CE1-OG 2.83Å; H197-S199 PolarHBondContact ND1-N 3.42Å; H197-S199 PolarHBondContact ND1-OG 2.87Å; H197-S199 PolarHBondContact O-N 2.71Å |
| 200 | N | 94.5 | Very high | 92.3 | Very high | 46 Ų | 46 | 62 Ų | 62 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -41.5 | -174.5 | -172.2 | 54.5 | 0 | 0 | 0 | 112.5 | C185 K186 C192 R195 H197 | C185-N200 CarbonylContact C-O 3.43Å; C185-N200 WeakPolarHBondContact CA-O 3.42Å; K186-N200 PolarHBondContact N-O 3.47Å; C192-N200 PolarHBondContact O-ND2 3.17Å; R195-N200 PolarHBondContact O-ND2 3.09Å; H197-N200 HydrophobicContact CB-CB 4.47Å; H197-N200 WeakPolarHBondContact O-CB 3.31Å; H197-N200 PolarHBondContact O-N 3.47Å |
| 201 | I | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -113.1 | 159.5 | -175.7 | 69 | 163.7 | 0 | 0 | 0 | 112.1 | F162 V180 C184 K186 D196 H197 R203 | F162-I201 HydrophobicContact CB-CD1 3.79Å; F162-I201 HydrophobicContact CD2-CD1 4.14Å; F162-I201 HydrophobicContact CG-CD1 3.9Å; V180-I201 HydrophobicContact CG2-CG2 4.01Å; C184-I201 HydrophobicContact CB-CB 4.48Å; C184-I201 CarbonylContact O-C 3.55Å; C184-I201 VanDerWaalsContact O-CA 3.27Å; C184-I201 WeakPolarHBondContact O-CA 3.4Å; C184-I201 WeakPolarHBondContact O-CB 3.25Å; K186-I201 WeakPolarHBondContact CE-O 3.31Å; D196-I201 HydrophobicContact CB-CD1 3.92Å; D196-I201 VanDerWaalsContact O-CD1 3.25Å; D196-I201 WeakPolarHBondContact O-CD1 3.36Å; D196-I201 VanDerWaalsContact O-CG1 3.31Å; D196-I201 WeakPolarHBondContact O-CG1 3.06Å; H197-I201 PolarHBondContact O-N 3.5Å; H197-I201 VanDerWaalsContact O-N 3.11Å; I201-R203 HydrophobicContact CD1-CG 4.15Å; I201-R203 HydrophobicContact CG1-CG 3.98Å; I201-R203 PolarHBondContact O-N 3.44Å |
| 202 | Y | 95.3 | Very high | 92.2 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 12% | 0.122 | 28% | 0.28 | C | S | . | . | trans | -69.5 | 116.3 | 168.9 | -61.5 | -60.1 | 0 | 0 | 0 | 110.5 | K155 C157 C184 K186 | K155-Y202 HydrophobicContact CB-CD1 3.65Å; K155-Y202 HydrophobicContact CB-CD2 4.49Å; K155-Y202 HydrophobicContact CB-CE1 3.58Å; K155-Y202 HydrophobicContact CB-CE2 4.43Å; K155-Y202 HydrophobicContact CB-CG 4.13Å; K155-Y202 HydrophobicContact CD-CE1 4.26Å; K155-Y202 HydrophobicContact CG-CD1 4.36Å; K155-Y202 HydrophobicContact CG-CE1 3.77Å; K155-Y202 VanDerWaalsContact O-CB 3.3Å; K155-Y202 WeakPolarHBondContact O-CB 3.3Å; C157-Y202 WeakPolarHBondContact CB-O 3.41Å; C184-Y202 VanDerWaalsContact O-CD2 3.26Å; C184-Y202 WeakPolarHBondContact O-CD2 3.42Å; C184-Y202 PolarHBondContact O-N 2.95Å; K186-Y202 HydrophobicContact CB-CE1 4.24Å; K186-Y202 HydrophobicContact CG-CD1 3.89Å; K186-Y202 HydrophobicContact CG-CE1 3.72Å | ||
| 203 | R | 91.9 | Very high | 92 | Very high | 111 Ų | 111 | 58.5 Ų | 58.5 | 42% | 0.419 | 28% | 0.28 | S | S | . | . | trans | -117.6 | 98.5 | 170.5 | -66.3 | -169.2 | 178.5 | -160.1 | -5.6 | 107.7 | F162 D196 I201 | F162-R203 HydrophobicContact CD1-CG 4.35Å; D196-R203 PolarHBondContact O-NE 2.97Å; D196-R203 PolarHBondContact O-NH2 2.96Å; D196-R203 IonicContact OD1-NH2 3.32Å; D196-R203 IonicContact OD2-NH2 3.55Å; I201-R203 HydrophobicContact CD1-CG 4.15Å; I201-R203 HydrophobicContact CG1-CG 3.98Å; I201-R203 PolarHBondContact O-N 3.44Å | ||
| 204 | V | 89.4 | Confident | 91.8 | Very high | 52 Ų | 52 | 62.1 Ų | 62.1 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | trans | -121.7 | 135.8 | -178.8 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | K155 G207 K211 | K155-V204 WeakPolarHBondContact O-CG2 3.2Å; V204-G207 PolarHBondContact O-N 3.47Å; V204-K211 HydrophobicContact CG1-CD 4.49Å; V204-K211 HydrophobicContact CG1-CG 4.49Å | ||
| 205 | E | 86.7 | Confident | 91.6 | Very high | 177 Ų | 177 | 62 Ų | 62 | 83% | 0.827 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 139.5 | 174.1 | -163.7 | 166.8 | -167.3 | 0 | 0 | 109.5 | G207 | E205-G207 PolarHBondContact O-N 2.89Š|
| 206 | G | 87.6 | Confident | 91.5 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -12.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | H160 E210 | H160-G206 CarbonylContact O-C 3.58Å; G206-E210 WeakPolarHBondContact CA-OE2 3.27Å; G206-E210 PolarHBondContact O-N 2.87Å |
| 207 | G | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | 64.7 | -156.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S159 H160 V204 E205 | S159-G207 CarbonylContact O-C 3.57Å; S159-G207 WeakPolarHBondContact O-CA 3.3Å; H160-G207 VanDerWaalsContact O-CA 3.27Å; H160-G207 WeakPolarHBondContact O-CA 3.31Å; H160-G207 PolarHBondContact O-N 3.17Å; V204-G207 PolarHBondContact O-N 3.47Å; E205-G207 PolarHBondContact O-N 2.89Å |
| 208 | C | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.7 | -26.2 | 178.4 | -66.8 | 0 | 0 | 0 | 0 | 113.7 | L127 M131 L150 C156 G158 S159 L212 | L127-C208 HydrophobicContact CD2-CB 4.32Å; M131-C208 HydrophobicContact CE-CB 4.12Å; L150-C208 HydrophobicContact CD2-CB 3.81Å; L150-C208 HydrophobicContact CG-CB 4.3Å; C156-C208 VanDerWaalsContact C-SG 3.57Å; C156-C208 HydrophobicContact CB-CB 3.92Å; C156-C208 WeakPolarHBondContact CB-SG 3.16Å; C156-C208 WeakPolarHBondContact SG-CA 3.06Å; C156-C208 WeakPolarHBondContact SG-CB 3.31Å; C156-C208 CovalentContact SG-SG 2.03Å; C156-C208 PolarHBondContact SG-SG 2.95Å; G158-C208 VanDerWaalsContact O-CB 3.25Å; G158-C208 WeakPolarHBondContact O-CB 3.27Å; G158-C208 PolarHBondContact O-N 2.93Å; G158-C208 PolarHBondContact O-SG 3.47Å; S159-C208 PolarHBondContact O-N 3.48Å; C208-L212 VanDerWaalsContact O-CB 3.23Å; C208-L212 WeakPolarHBondContact O-CB 3.31Å; C208-L212 PolarHBondContact O-N 3.33Å |
| 209 | V | 92.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -54.2 | 178.3 | 168.1 | 0 | 0 | 0 | 0 | 110.2 | R124 L127 S159 K211 L212 E213 | R124-V209 HydrophobicContact CB-CG1 4.14Å; R124-V209 HydrophobicContact CG-CG1 3.57Å; L127-V209 HydrophobicContact CB-CG2 4.35Å; L127-V209 HydrophobicContact CD2-CG2 3.72Å; L127-V209 HydrophobicContact CG-CG2 4.47Å; S159-V209 WeakPolarHBondContact O-CB 3.37Å; S159-V209 WeakPolarHBondContact O-CG2 3.43Å; S159-V209 PolarHBondContact O-N 3.1Å; S159-V209 WeakPolarHBondContact OG-CG2 3.43Å; V209-K211 VanDerWaalsContact C-N 3.33Å; V209-K211 PolarHBondContact O-N 3.26Å; V209-L212 PolarHBondContact O-N 3.01Å; V209-E213 HydrophobicContact CG1-CG 4.45Å; V209-E213 VanDerWaalsContact CG1-OE1 3.28Å; V209-E213 WeakPolarHBondContact CG1-OE1 3.46Å; V209-E213 WeakPolarHBondContact O-CB 3.02Å; V209-E213 WeakPolarHBondContact O-CG 2.92Å; V209-E213 PolarHBondContact O-N 3.32Å |
| 210 | E | 91.8 | Very high | 90.9 | Very high | 80 Ų | 80 | 54.1 Ų | 54.1 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | -177.9 | -171 | 174.9 | 144.2 | 0 | 0 | 111.4 | G206 L212 E213 D214 | G206-E210 WeakPolarHBondContact CA-OE2 3.27Å; G206-E210 PolarHBondContact O-N 2.87Å; E210-L212 VanDerWaalsContact C-N 3.33Å; E210-L212 PolarHBondContact O-N 3.24Å; E210-E213 PolarHBondContact O-N 3.42Å; E210-D214 WeakPolarHBondContact O-CB 3.42Å; E210-D214 VanDerWaalsContact O-CG 3.31Å; E210-D214 PolarHBondContact O-N 2.87Å |
| 211 | K | 92.1 | Very high | 90.7 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 177.1 | -66.5 | -64.5 | 165.5 | -140 | 0 | 113.4 | F154 V204 V209 Y215 | F154-K211 HydrophobicContact CB-CB 3.98Å; F154-K211 HydrophobicContact CD1-CB 4.22Å; F154-K211 HydrophobicContact CG-CB 4.39Å; V204-K211 HydrophobicContact CG1-CD 4.49Å; V204-K211 HydrophobicContact CG1-CG 4.49Å; V209-K211 VanDerWaalsContact C-N 3.33Å; V209-K211 PolarHBondContact O-N 3.26Å; K211-Y215 WeakPolarHBondContact O-CB 3.13Å; K211-Y215 PolarHBondContact O-N 3.22Å; K211-Y215 VanDerWaalsContact O-N 3.1Å |
| 212 | L | 90.4 | Very high | 90.5 | Very high | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.9 | -40.5 | 177.2 | -175.2 | 57.5 | 0 | 0 | 0 | 111.4 | L123 L127 L150 F154 C208 V209 E210 Y215 I216 | L123-L212 HydrophobicContact CD1-CD2 3.81Å; L123-L212 HydrophobicContact CD2-CD2 4.03Å; L123-L212 HydrophobicContact CD2-CG 4.07Å; L123-L212 HydrophobicContact CG-CD2 4.33Å; L127-L212 HydrophobicContact CD2-CD2 4.35Å; L150-L212 HydrophobicContact CD1-CB 4.32Å; L150-L212 HydrophobicContact CD1-CD1 3.97Å; L150-L212 HydrophobicContact CD1-CD2 4.01Å; L150-L212 HydrophobicContact CD1-CG 4.33Å; F154-L212 HydrophobicContact CE2-CD1 4.34Å; F154-L212 HydrophobicContact CZ-CD1 4.36Å; C208-L212 VanDerWaalsContact O-CB 3.23Å; C208-L212 WeakPolarHBondContact O-CB 3.31Å; C208-L212 PolarHBondContact O-N 3.33Å; V209-L212 PolarHBondContact O-N 3.01Å; E210-L212 VanDerWaalsContact C-N 3.33Å; E210-L212 PolarHBondContact O-N 3.24Å; L212-Y215 PolarHBondContact O-N 3.37Å; L212-I216 HydrophobicContact CD1-CD1 4.15Å; L212-I216 HydrophobicContact CD1-CG1 4.36Å; L212-I216 HydrophobicContact CG-CD1 3.95Å; L212-I216 WeakPolarHBondContact O-CB 3.38Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.23Å; L212-I216 PolarHBondContact O-N 3.48Å |
| 213 | E | 88.7 | Confident | 90.3 | Very high | 15 Ų | 15 | 68 Ų | 68 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 173.6 | -76.4 | 174.7 | -171.4 | 0 | 0 | 111.7 | L123 R124 V209 E210 Y215 I216 R217 | L123-E213 HydrophobicContact CD2-CG 4.07Å; R124-E213 VanDerWaalsContact CG-OE1 3.26Å; R124-E213 WeakPolarHBondContact CG-OE1 3.29Å; R124-E213 IonicContact CZ-OE1 3.98Å; R124-E213 VanDerWaalsContact CZ-OE1 3.32Å; R124-E213 IonicContact CZ-OE2 3.32Å; R124-E213 IonicContact NE-OE1 3.67Å; R124-E213 PolarHBondContact NE-OE1 3.44Å; R124-E213 IonicContact NE-OE2 2.69Å; R124-E213 IonicContact NH2-OE1 2.74Å; R124-E213 PolarHBondContact NH2-OE1 2.95Å; R124-E213 IonicContact NH2-OE2 3.42Å; R124-E213 PolarHBondContact NH2-OE2 3.47Å; V209-E213 HydrophobicContact CG1-CG 4.45Å; V209-E213 VanDerWaalsContact CG1-OE1 3.28Å; V209-E213 WeakPolarHBondContact CG1-OE1 3.46Å; V209-E213 WeakPolarHBondContact O-CB 3.02Å; V209-E213 WeakPolarHBondContact O-CG 2.92Å; V209-E213 PolarHBondContact O-N 3.32Å; E210-E213 PolarHBondContact O-N 3.42Å; E213-Y215 VanDerWaalsContact C-N 3.27Å; E213-Y215 PolarHBondContact O-N 2.9Å; E213-I216 PolarHBondContact O-N 3.48Å; E213-R217 WeakPolarHBondContact O-CB 3.27Å; E213-R217 PolarHBondContact O-N 2.99Å |
| 214 | D | 89.9 | Confident | 90.4 | Very high | 76 Ų | 76 | 64.7 Ų | 64.7 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.6 | -44.2 | 176.3 | -78.6 | -19.8 | 0 | 0 | 0 | 111.3 | E210 S218 | E210-D214 WeakPolarHBondContact O-CB 3.42Å; E210-D214 VanDerWaalsContact O-CG 3.31Å; E210-D214 PolarHBondContact O-N 2.87Å; D214-S218 WeakPolarHBondContact O-CB 3.46Å; D214-S218 PolarHBondContact O-N 2.92Å |
| 215 | Y | 89.6 | Confident | 90.6 | Very high | 105 Ų | 105 | 64.5 Ų | 64.5 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -51.7 | 177.7 | 179.3 | -99.8 | 0 | 0 | 0 | 111.9 | F154 K211 L212 E213 R217 S218 Q219 | F154-Y215 VanDerWaalsContact CE1-CB 3.49Å; F154-Y215 HydrophobicContact CE1-CD1 4.16Å; F154-Y215 AromaticContact CE1-CD2 3.71Å; F154-Y215 HydrophobicContact CE1-CD2 3.71Å; F154-Y215 HydrophobicContact CE1-CE2 4.49Å; F154-Y215 AromaticContact CE1-CG 3.51Å; F154-Y215 HydrophobicContact CE1-CG 3.51Å; F154-Y215 AromaticContact CZ-CD1 3.81Å; F154-Y215 HydrophobicContact CZ-CD1 3.81Å; F154-Y215 HydrophobicContact CZ-CD2 4.01Å; F154-Y215 HydrophobicContact CZ-CE1 4.3Å; F154-Y215 HydrophobicContact CZ-CE2 4.47Å; F154-Y215 AromaticContact CZ-CG 3.65Å; F154-Y215 HydrophobicContact CZ-CG 3.65Å; K211-Y215 WeakPolarHBondContact O-CB 3.13Å; K211-Y215 PolarHBondContact O-N 3.22Å; K211-Y215 VanDerWaalsContact O-N 3.1Å; L212-Y215 PolarHBondContact O-N 3.37Å; E213-Y215 VanDerWaalsContact C-N 3.27Å; E213-Y215 PolarHBondContact O-N 2.9Å; Y215-R217 VanDerWaalsContact C-N 3.31Å; Y215-R217 PolarHBondContact O-N 2.93Å; Y215-S218 PolarHBondContact O-N 2.02Å; Y215-Q219 HydrophobicContact CD1-CG 4.36Å; Y215-Q219 HydrophobicContact CE1-CG 3.98Å; Y215-Q219 HydrophobicContact CE2-CG 4.26Å; Y215-Q219 WeakPolarHBondContact O-CG 3.28Å; Y215-Q219 PolarHBondContact O-N 3.25Å; Y215-Q219 PolarHBondContact OH-NE2 3.37Å |
| 216 | I | 87.8 | Confident | 91 | Very high | 58 Ų | 58 | 60.1 Ų | 60.1 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 178.8 | -70.8 | 167.8 | 0 | 0 | 0 | 110.1 | L123 L212 E213 S218 Q219 L220 | L123-I216 HydrophobicContact CD2-CD1 3.82Å; L212-I216 HydrophobicContact CD1-CD1 4.15Å; L212-I216 HydrophobicContact CD1-CG1 4.36Å; L212-I216 HydrophobicContact CG-CD1 3.95Å; L212-I216 WeakPolarHBondContact O-CB 3.38Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.23Å; L212-I216 PolarHBondContact O-N 3.48Å; E213-I216 PolarHBondContact O-N 3.48Å; I216-S218 PolarHBondContact O-N 3.44Å; I216-Q219 PolarHBondContact O-N 3.38Å; I216-L220 HydrophobicContact CG2-CD1 3.84Å; I216-L220 HydrophobicContact CG2-CG 4.28Å; I216-L220 WeakPolarHBondContact O-CB 3.37Å; I216-L220 VanDerWaalsContact O-CG 3.31Å; I216-L220 WeakPolarHBondContact O-CG 3.3Å; I216-L220 PolarHBondContact O-N 2.83Å |
| 217 | R | 88.6 | Confident | 91.3 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 177.9 | -179.7 | 178.7 | -68.8 | -99.2 | -2.7 | 111.6 | D120 E213 Y215 Q219 L220 Y221 | D120-R217 IonicContact OD2-NH2 3.57Å; D120-R217 PolarHBondContact OD2-NH2 3.05Å; E213-R217 WeakPolarHBondContact O-CB 3.27Å; E213-R217 PolarHBondContact O-N 2.99Å; Y215-R217 VanDerWaalsContact C-N 3.31Å; Y215-R217 PolarHBondContact O-N 2.93Å; R217-Q219 PolarHBondContact O-N 3.42Å; R217-L220 PolarHBondContact O-N 3.3Å; R217-Y221 HydrophobicContact CG-CD2 3.94Å; R217-Y221 HydrophobicContact CG-CE2 3.43Å; R217-Y221 VanDerWaalsContact CG-CE2 3.43Å; R217-Y221 WeakPolarHBondContact O-CD2 3.37Å; R217-Y221 PolarHBondContact O-N 2.88Å |
| 218 | S | 90.6 | Very high | 91.4 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.9 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | D214 Y215 I216 Y221 I222 | D214-S218 WeakPolarHBondContact O-CB 3.46Å; D214-S218 PolarHBondContact O-N 2.92Å; Y215-S218 PolarHBondContact O-N 2.02Å; I216-S218 PolarHBondContact O-N 3.44Å; S218-Y221 PolarHBondContact O-N 2.85Å; S218-I222 WeakPolarHBondContact O-CG1 3.38Å; S218-I222 PolarHBondContact O-N 2.75Å |
| 219 | Q | 89.4 | Confident | 91.5 | Very high | 74 Ų | 74 | 67 Ų | 67 | 35% | 0.346 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 177.1 | -63.7 | -59.9 | -17.8 | 0 | 0 | 111.6 | Y215 I216 R217 Y221 I222 L223 | Y215-Q219 HydrophobicContact CD1-CG 4.36Å; Y215-Q219 HydrophobicContact CE1-CG 3.98Å; Y215-Q219 HydrophobicContact CE2-CG 4.26Å; Y215-Q219 WeakPolarHBondContact O-CG 3.28Å; Y215-Q219 PolarHBondContact O-N 3.25Å; Y215-Q219 PolarHBondContact OH-NE2 3.37Å; I216-Q219 PolarHBondContact O-N 3.38Å; R217-Q219 PolarHBondContact O-N 3.42Å; Q219-Y221 VanDerWaalsContact C-N 3.33Å; Q219-Y221 PolarHBondContact O-N 2.99Å; Q219-I222 PolarHBondContact O-N 2.97Å; Q219-L223 WeakPolarHBondContact O-CG 3.29Å; Q219-L223 PolarHBondContact O-N 3.29Å |
| 220 | L | 88.8 | Confident | 91.5 | Very high | 49 Ų | 49 | 70.2 Ų | 70.2 | 26% | 0.257 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 175.4 | -73 | 173.5 | 0 | 0 | 0 | 112.3 | Q116 I216 R217 L223 G224 | Q116-L220 HydrophobicContact CB-CD1 4.13Å; Q116-L220 VanDerWaalsContact CD-CD1 3.46Å; Q116-L220 HydrophobicContact CG-CD1 3.6Å; I216-L220 HydrophobicContact CG2-CD1 3.84Å; I216-L220 HydrophobicContact CG2-CG 4.28Å; I216-L220 WeakPolarHBondContact O-CB 3.37Å; I216-L220 VanDerWaalsContact O-CG 3.31Å; I216-L220 WeakPolarHBondContact O-CG 3.3Å; I216-L220 PolarHBondContact O-N 2.83Å; R217-L220 PolarHBondContact O-N 3.3Å; L220-L223 PolarHBondContact O-N 3.27Å; L220-G224 PolarHBondContact O-N 2.87Å |
| 221 | Y | 90.4 | Very high | 91.7 | Very high | 156 Ų | 156 | 67.4 Ų | 67.4 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 173.4 | -78.3 | -58.5 | 0 | 0 | 0 | 112.3 | R217 S218 Q219 G224 G225 | R217-Y221 HydrophobicContact CG-CD2 3.94Å; R217-Y221 HydrophobicContact CG-CE2 3.43Å; R217-Y221 VanDerWaalsContact CG-CE2 3.43Å; R217-Y221 WeakPolarHBondContact O-CD2 3.37Å; R217-Y221 PolarHBondContact O-N 2.88Å; S218-Y221 PolarHBondContact O-N 2.85Å; Q219-Y221 VanDerWaalsContact C-N 3.33Å; Q219-Y221 PolarHBondContact O-N 2.99Å; Y221-G224 PolarHBondContact O-N 3.28Å; Y221-G225 PolarHBondContact O-N 2.56Å |
| 222 | I | 92.7 | Very high | 91.9 | Very high | 98 Ų | 98 | 70.4 Ų | 70.4 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 177.2 | -63.8 | 168.1 | 0 | 0 | 0 | 110 | S218 Q219 G224 G225 V226 | S218-I222 WeakPolarHBondContact O-CG1 3.38Å; S218-I222 PolarHBondContact O-N 2.75Å; Q219-I222 PolarHBondContact O-N 2.97Å; I222-G224 VanDerWaalsContact C-N 3.33Å; I222-G224 PolarHBondContact O-N 2.88Å; I222-G225 PolarHBondContact O-N 3.22Å; I222-V226 WeakPolarHBondContact O-CG2 3.27Å; I222-V226 PolarHBondContact O-N 2.86Å |
| 223 | L | 91.1 | Very high | 92 | Very high | 115 Ų | 115 | 72.7 Ų | 72.7 | 60% | 0.602 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.3 | -42.6 | 178 | -71 | 171 | 0 | 0 | 0 | 112 | Q219 L220 V226 G227 | Q219-L223 WeakPolarHBondContact O-CG 3.29Å; Q219-L223 PolarHBondContact O-N 3.29Å; L220-L223 PolarHBondContact O-N 3.27Å; L223-V226 PolarHBondContact O-N 3.35Å; L223-G227 PolarHBondContact O-N 3.44Å |
| 224 | G | 93.1 | Very high | 92.2 | Very high | 40 Ų | 40 | 72.3 Ų | 72.3 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L220 Y221 I222 G227 V228 | L220-G224 PolarHBondContact O-N 2.87Å; Y221-G224 PolarHBondContact O-N 3.28Å; I222-G224 VanDerWaalsContact C-N 3.33Å; I222-G224 PolarHBondContact O-N 2.88Å; G224-G227 PolarHBondContact O-N 3.23Å; G224-V228 WeakPolarHBondContact O-CG2 3.35Å; G224-V228 PolarHBondContact O-N 3.32Å |
| 225 | G | 94.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 72.4 Ų | 72.4 | 51% | 0.505 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y221 I222 V228 G229 | Y221-G225 PolarHBondContact O-N 2.56Å; I222-G225 PolarHBondContact O-N 3.22Å; G225-V228 PolarHBondContact O-N 3.23Å; G225-G229 PolarHBondContact O-N 2.69Å |
| 226 | V | 93.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 69.2 Ų | 69.2 | 52% | 0.515 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 175 | 172.7 | 0 | 0 | 0 | 0 | 111 | I222 L223 G229 I230 | I222-V226 WeakPolarHBondContact O-CG2 3.27Å; I222-V226 PolarHBondContact O-N 2.86Å; L223-V226 PolarHBondContact O-N 3.35Å; V226-G229 PolarHBondContact O-N 3.07Å; V226-I230 HydrophobicContact CG1-CD1 3.85Å; V226-I230 HydrophobicContact CG1-CG1 4.46Å; V226-I230 WeakPolarHBondContact O-CG1 3.3Å; V226-I230 PolarHBondContact O-N 3.2Å |
| 227 | G | 94.2 | Very high | 92.8 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.7 | -51.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L223 G224 G229 I230 A231 | L223-G227 PolarHBondContact O-N 3.44Å; G224-G227 PolarHBondContact O-N 3.23Å; G227-G229 PolarHBondContact O-N 2.9Å; G227-G229 VanDerWaalsContact O-N 3.17Å; G227-I230 PolarHBondContact O-N 2.97Å; G227-A231 PolarHBondContact O-N 3.02Å |
| 228 | V | 95.8 | Very high | 93.1 | Very high | 108 Ų | 108 | 63.3 Ų | 63.3 | 66% | 0.655 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -56.7 | -38.4 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 112 | G224 G225 F232 | G224-V228 WeakPolarHBondContact O-CG2 3.35Å; G224-V228 PolarHBondContact O-N 3.32Å; G225-V228 PolarHBondContact O-N 3.23Å; V228-F232 WeakPolarHBondContact O-CB 3.46Å; V228-F232 PolarHBondContact O-N 3.47Å |
| 229 | G | 95.4 | Very high | 93.3 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 34% | 0.34 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G225 V226 G227 F232 L233 | G225-G229 PolarHBondContact O-N 2.69Å; V226-G229 PolarHBondContact O-N 3.07Å; G227-G229 PolarHBondContact O-N 2.9Å; G227-G229 VanDerWaalsContact O-N 3.17Å; G229-F232 PolarHBondContact O-N 2.7Å; G229-L233 WeakPolarHBondContact O-CG 3.43Å; G229-L233 PolarHBondContact O-N 2.93Å |
| 230 | I | 93.2 | Very high | 93.4 | Very high | 68 Ų | 68 | 65.9 Ų | 65.9 | 35% | 0.349 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 176.8 | -67.6 | 166.8 | 0 | 0 | 0 | 110.5 | E105 V226 G227 F232 L233 Q234 | E105-I230 WeakPolarHBondContact OE1-CB 3.1Å; V226-I230 HydrophobicContact CG1-CD1 3.85Å; V226-I230 HydrophobicContact CG1-CG1 4.46Å; V226-I230 WeakPolarHBondContact O-CG1 3.3Å; V226-I230 PolarHBondContact O-N 3.2Å; G227-I230 PolarHBondContact O-N 2.97Å; I230-F232 VanDerWaalsContact C-N 3.3Å; I230-F232 PolarHBondContact O-N 3.2Å; I230-L233 PolarHBondContact O-N 3.29Å; I230-L233 VanDerWaalsContact O-N 3.14Å; I230-Q234 HydrophobicContact CG2-CG 4.49Å; I230-Q234 WeakPolarHBondContact O-CG 3.32Å; I230-Q234 PolarHBondContact O-N 3.32Å |
| 231 | A | 95.1 | Very high | 93.5 | Very high | 20 Ų | 20 | 63.7 Ų | 63.7 | 17% | 0.165 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F102 E105 G227 Q234 L235 | F102-A231 HydrophobicContact CD2-CB 4.39Å; F102-A231 HydrophobicContact CE2-CB 4.03Å; E105-A231 PolarHBondContact OE1-N 3.43Å; G227-A231 PolarHBondContact O-N 3.02Å; A231-Q234 PolarHBondContact O-N 2.99Å; A231-L235 WeakPolarHBondContact O-CG 3.47Å; A231-L235 PolarHBondContact O-N 3.23Å; A231-L235 VanDerWaalsContact O-N 3.07Å |
| 232 | F | 95.6 | Very high | 93.6 | Very high | 130 Ų | 130 | 58.5 Ų | 58.5 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 175 | 176.3 | -99.5 | 0 | 0 | 0 | 112.1 | V228 G229 I230 Q234 L235 V236 | V228-F232 WeakPolarHBondContact O-CB 3.46Å; V228-F232 PolarHBondContact O-N 3.47Å; G229-F232 PolarHBondContact O-N 2.7Å; I230-F232 VanDerWaalsContact C-N 3.3Å; I230-F232 PolarHBondContact O-N 3.2Å; F232-Q234 VanDerWaalsContact C-N 3.3Å; F232-Q234 PolarHBondContact O-N 3.06Å; F232-L235 WeakPolarHBondContact O-CB 3.32Å; F232-L235 PolarHBondContact O-N 2.75Å; F232-V236 HydrophobicContact CD1-CG2 4.44Å; F232-V236 HydrophobicContact CE1-CG2 3.98Å; F232-V236 HydrophobicContact CE2-CG2 4.42Å; F232-V236 HydrophobicContact CZ-CG2 3.96Å; F232-V236 WeakPolarHBondContact O-CG2 3.5Å; F232-V236 PolarHBondContact O-N 2.82Å; F232-V236 VanDerWaalsContact O-N 3.08Å |
| 233 | L | 92.7 | Very high | 93.4 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 40% | 0.398 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 177.2 | -73.9 | 177.1 | 0 | 0 | 0 | 112.2 | F24 G229 I230 V236 G237 | F24-L233 HydrophobicContact CE2-CB 4Å; F24-L233 HydrophobicContact CE2-CD2 4.34Å; F24-L233 HydrophobicContact CZ-CB 4.25Å; F24-L233 WeakPolarHBondContact CZ-O 3.36Å; G229-L233 WeakPolarHBondContact O-CG 3.43Å; G229-L233 PolarHBondContact O-N 2.93Å; I230-L233 PolarHBondContact O-N 3.29Å; I230-L233 VanDerWaalsContact O-N 3.14Å; L233-V236 PolarHBondContact O-N 3.49Å; L233-G237 PolarHBondContact O-N 3.35Å |
| 234 | Q | 93.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 174.2 | -73.5 | 173.6 | 16.5 | 0 | 0 | 112.2 | F102 E105 I230 A231 F232 V236 G237 M238 | F102-Q234 VanDerWaalsContact CB-OE1 3.31Å; E105-Q234 VanDerWaalsContact OE2-CD 3.3Å; E105-Q234 PolarHBondContact OE2-NE2 3.43Å; E105-Q234 PolarHBondContact OE2-OE1 3.05Å; I230-Q234 HydrophobicContact CG2-CG 4.49Å; I230-Q234 WeakPolarHBondContact O-CG 3.32Å; I230-Q234 PolarHBondContact O-N 3.32Å; A231-Q234 PolarHBondContact O-N 2.99Å; F232-Q234 VanDerWaalsContact C-N 3.3Å; F232-Q234 PolarHBondContact O-N 3.06Å; Q234-V236 VanDerWaalsContact C-N 3.33Å; Q234-V236 PolarHBondContact O-N 3.25Å; Q234-G237 PolarHBondContact O-N 2.98Å; Q234-G237 VanDerWaalsContact O-N 3.17Å; Q234-M238 HydrophobicContact CB-CE 4.47Å; Q234-M238 WeakPolarHBondContact O-CG 3.3Å; Q234-M238 PolarHBondContact O-N 3.17Å |
| 235 | L | 94.9 | Very high | 93.1 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.5 | -72.5 | 169 | 0 | 0 | 0 | 111.6 | F102 A231 F232 G237 M238 M239 | F102-L235 HydrophobicContact CE2-CD1 4.22Å; F102-L235 HydrophobicContact CE2-CD2 4.14Å; F102-L235 HydrophobicContact CE2-CG 3.97Å; F102-L235 HydrophobicContact CZ-CD1 4.38Å; F102-L235 HydrophobicContact CZ-CD2 4.07Å; F102-L235 HydrophobicContact CZ-CG 4.31Å; A231-L235 WeakPolarHBondContact O-CG 3.47Å; A231-L235 PolarHBondContact O-N 3.23Å; A231-L235 VanDerWaalsContact O-N 3.07Å; F232-L235 WeakPolarHBondContact O-CB 3.32Å; F232-L235 PolarHBondContact O-N 2.75Å; L235-G237 VanDerWaalsContact C-N 3.35Å; L235-G237 PolarHBondContact O-N 3.22Å; L235-M238 HydrophobicContact CD2-CE 3.84Å; L235-M238 HydrophobicContact CG-CE 4.41Å; L235-M238 PolarHBondContact O-N 2.82Å; L235-M239 WeakPolarHBondContact O-CG 3.39Å; L235-M239 PolarHBondContact O-N 3.37Å |
| 236 | V | 93.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | F232 L233 Q234 M238 M239 F240 | F232-V236 HydrophobicContact CD1-CG2 4.44Å; F232-V236 HydrophobicContact CE1-CG2 3.98Å; F232-V236 HydrophobicContact CE2-CG2 4.42Å; F232-V236 HydrophobicContact CZ-CG2 3.96Å; F232-V236 WeakPolarHBondContact O-CG2 3.5Å; F232-V236 PolarHBondContact O-N 2.82Å; F232-V236 VanDerWaalsContact O-N 3.08Å; L233-V236 PolarHBondContact O-N 3.49Å; Q234-V236 VanDerWaalsContact C-N 3.33Å; Q234-V236 PolarHBondContact O-N 3.25Å; V236-M238 PolarHBondContact O-N 3.33Å; V236-M239 PolarHBondContact O-N 3.25Å; V236-F240 HydrophobicContact CG1-CD2 3.89Å; V236-F240 HydrophobicContact CG1-CE1 4.24Å; V236-F240 HydrophobicContact CG1-CE2 3.4Å; V236-F240 VanDerWaalsContact CG1-CE2 3.4Å; V236-F240 HydrophobicContact CG1-CG 4.5Å; V236-F240 HydrophobicContact CG1-CZ 3.6Å; V236-F240 WeakPolarHBondContact O-CG 3.41Å; V236-F240 PolarHBondContact O-N 3.09Å |
| 237 | G | 92.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L233 Q234 L235 F240 T241 | L233-G237 PolarHBondContact O-N 3.35Å; Q234-G237 PolarHBondContact O-N 2.98Å; Q234-G237 VanDerWaalsContact O-N 3.17Å; L235-G237 VanDerWaalsContact C-N 3.35Å; L235-G237 PolarHBondContact O-N 3.22Å; G237-F240 PolarHBondContact O-N 3.15Å; G237-T241 WeakPolarHBondContact O-CB 3.47Å; G237-T241 PolarHBondContact O-N 3.16Å; G237-T241 PolarHBondContact O-OG1 3.35Å |
| 238 | M | 95 | Very high | 91.5 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 175 | -73.1 | -168.3 | -92 | 0 | 0 | 111.7 | L95 L98 L99 F102 Q234 L235 V236 T241 C242 | L95-M238 HydrophobicContact CD1-CB 3.81Å; L95-M238 HydrophobicContact CD1-CG 3.85Å; L95-M238 HydrophobicContact CD1-SD 4.48Å; L98-M238 HydrophobicContact CB-CG 3.77Å; L98-M238 HydrophobicContact CB-SD 4.33Å; L98-M238 HydrophobicContact CD1-CG 3.89Å; L99-M238 HydrophobicContact CB-SD 4.33Å; F102-M238 HydrophobicContact CB-CE 4.06Å; F102-M238 HydrophobicContact CD1-CE 4.45Å; F102-M238 HydrophobicContact CD2-CE 4.26Å; F102-M238 HydrophobicContact CG-CE 4.01Å; Q234-M238 HydrophobicContact CB-CE 4.47Å; Q234-M238 WeakPolarHBondContact O-CG 3.3Å; Q234-M238 PolarHBondContact O-N 3.17Å; L235-M238 HydrophobicContact CD2-CE 3.84Å; L235-M238 HydrophobicContact CG-CE 4.41Å; L235-M238 PolarHBondContact O-N 2.82Å; V236-M238 PolarHBondContact O-N 3.33Å; M238-T241 PolarHBondContact O-N 3.41Å; M238-C242 WeakPolarHBondContact O-CB 3.33Å; M238-C242 PolarHBondContact O-N 2.8Å; M238-C242 PolarHBondContact O-SG 2.84Å |
| 239 | M | 93.6 | Very high | 90.5 | Very high | 125 Ų | 125 | 53.8 Ų | 53.8 | 62% | 0.616 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.6 | -50.8 | 175.7 | -75.8 | -178.1 | 63.2 | 0 | 0 | 111.5 | L235 V236 T241 C242 C243 | L235-M239 WeakPolarHBondContact O-CG 3.39Å; L235-M239 PolarHBondContact O-N 3.37Å; V236-M239 PolarHBondContact O-N 3.25Å; M239-T241 VanDerWaalsContact C-N 3.31Å; M239-T241 PolarHBondContact O-N 3.2Å; M239-C242 WeakPolarHBondContact O-CB 3.39Å; M239-C242 PolarHBondContact O-N 3.12Å; M239-C243 PolarHBondContact O-N 2.77Å; M239-C243 PolarHBondContact O-SG 3.25Å |
| 240 | F | 91.8 | Very high | 89.1 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 178.4 | -68.5 | -17.1 | 0 | 0 | 0 | 112 | L17 L21 V236 G237 C243 L244 | L17-F240 HydrophobicContact CD2-CB 4.38Å; L17-F240 HydrophobicContact CD2-CD1 3.6Å; L17-F240 HydrophobicContact CD2-CE1 4Å; L17-F240 HydrophobicContact CD2-CG 4Å; L21-F240 HydrophobicContact CD1-CB 3.88Å; L21-F240 HydrophobicContact CD2-CB 3.59Å; L21-F240 HydrophobicContact CD2-CD2 4.38Å; L21-F240 HydrophobicContact CG-CB 3.69Å; L21-F240 HydrophobicContact CG-CD2 4.46Å; V236-F240 HydrophobicContact CG1-CD2 3.89Å; V236-F240 HydrophobicContact CG1-CE1 4.24Å; V236-F240 HydrophobicContact CG1-CE2 3.4Å; V236-F240 VanDerWaalsContact CG1-CE2 3.4Å; V236-F240 HydrophobicContact CG1-CG 4.5Å; V236-F240 HydrophobicContact CG1-CZ 3.6Å; V236-F240 WeakPolarHBondContact O-CG 3.41Å; V236-F240 PolarHBondContact O-N 3.09Å; G237-F240 PolarHBondContact O-N 3.15Å; F240-C243 PolarHBondContact O-N 2.8Å; F240-L244 WeakPolarHBondContact O-CB 3.18Å; F240-L244 PolarHBondContact O-N 3.41Å |
| 241 | T | 92.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | L91 Y94 L95 G237 M238 M239 L244 C245 | L91-T241 HydrophobicContact CB-CG2 4.41Å; L91-T241 HydrophobicContact CD2-CG2 4.05Å; Y94-T241 HydrophobicContact CD1-CG2 3.84Å; Y94-T241 HydrophobicContact CE1-CG2 4.41Å; Y94-T241 VanDerWaalsContact CE1-OG1 3.3Å; Y94-T241 WeakPolarHBondContact CE1-OG1 3.5Å; L95-T241 HydrophobicContact CB-CG2 4.06Å; L95-T241 HydrophobicContact CD1-CG2 4.42Å; G237-T241 WeakPolarHBondContact O-CB 3.47Å; G237-T241 PolarHBondContact O-N 3.16Å; G237-T241 PolarHBondContact O-OG1 3.35Å; M238-T241 PolarHBondContact O-N 3.41Å; M239-T241 VanDerWaalsContact C-N 3.31Å; M239-T241 PolarHBondContact O-N 3.2Å; T241-L244 PolarHBondContact O-N 3.17Å; T241-C245 VanDerWaalsContact O-CB 3.23Å; T241-C245 WeakPolarHBondContact O-CB 3.48Å; T241-C245 PolarHBondContact O-N 2.94Å |
| 242 | C | 91.8 | Very high | 85.8 | Confident | 47 Ų | 47 | 64 Ų | 64 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175 | -73.2 | 0 | 0 | 0 | 0 | 112 | M238 M239 C245 R246 | M238-C242 WeakPolarHBondContact O-CB 3.33Å; M238-C242 PolarHBondContact O-N 2.8Å; M238-C242 PolarHBondContact O-SG 2.84Å; M239-C242 WeakPolarHBondContact O-CB 3.39Å; M239-C242 PolarHBondContact O-N 3.12Å; C242-C245 PolarHBondContact O-N 3.16Å; C242-R246 WeakPolarHBondContact O-CG 3.46Å; C242-R246 PolarHBondContact O-N 3.35Å |
| 243 | C | 89.4 | Confident | 83.4 | Confident | 54 Ų | 54 | 69 Ų | 69 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 176.4 | -69.5 | 0 | 0 | 0 | 0 | 111.4 | L17 M239 F240 C245 R246 N247 | L17-C243 HydrophobicContact CD1-CB 4.25Å; M239-C243 PolarHBondContact O-N 2.77Å; M239-C243 PolarHBondContact O-SG 3.25Å; F240-C243 PolarHBondContact O-N 2.8Å; C243-C245 VanDerWaalsContact C-N 3.35Å; C243-C245 PolarHBondContact O-N 2.94Å; C243-R246 PolarHBondContact O-N 2.94Å; C243-N247 PolarHBondContact O-N 3.3Å; C243-N247 PolarHBondContact O-ND2 3.37Å |
| 244 | L | 88.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 178.1 | -176.5 | 59.3 | 0 | 0 | 0 | 111.8 | T14 K18 L21 T83 L91 F240 T241 R246 N247 L248 | T14-L244 HydrophobicContact CG2-CD1 4.03Å; K18-L244 HydrophobicContact CD-CD1 4.38Å; K18-L244 HydrophobicContact CG-CD1 3.81Å; K18-L244 HydrophobicContact CG-CD2 4.17Å; L21-L244 HydrophobicContact CD1-CB 4.24Å; L21-L244 HydrophobicContact CD1-CD2 3.83Å; T83-L244 HydrophobicContact CG2-CD2 4.4Å; L91-L244 HydrophobicContact CD1-CD2 4.17Å; L91-L244 HydrophobicContact CD1-CG 4.07Å; L91-L244 HydrophobicContact CD2-CD2 3.99Å; F240-L244 WeakPolarHBondContact O-CB 3.18Å; F240-L244 PolarHBondContact O-N 3.41Å; T241-L244 PolarHBondContact O-N 3.17Å; L244-R246 PolarHBondContact O-N 2.87Å; L244-N247 PolarHBondContact O-N 2.91Å; L244-L248 HydrophobicContact CD1-CD1 4.26Å; L244-L248 HydrophobicContact CG-CD1 4.04Å; L244-L248 WeakPolarHBondContact O-CD1 3.32Å; L244-L248 WeakPolarHBondContact O-CG 3.23Å; L244-L248 PolarHBondContact O-N 3.1Å |
| 245 | C | 88.1 | Confident | 82.4 | Confident | 18 Ų | 18 | 71.9 Ų | 71.9 | 12% | 0.122 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | T241 C242 C243 K249 | T241-C245 VanDerWaalsContact O-CB 3.23Å; T241-C245 WeakPolarHBondContact O-CB 3.48Å; T241-C245 PolarHBondContact O-N 2.94Å; C242-C245 PolarHBondContact O-N 3.16Å; C243-C245 VanDerWaalsContact C-N 3.35Å; C243-C245 PolarHBondContact O-N 2.94Å; C245-K249 PolarHBondContact O-N 2.96Å |
| 246 | R | 86.5 | Confident | 81.7 | Confident | 183 Ų | 183 | 71.7 Ų | 71.7 | 69% | 0.691 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.7 | -47.7 | 174.5 | -74 | 179.5 | 179.7 | -174.4 | 0.8 | 111.8 | C242 C243 L244 L248 K249 E250 | C242-R246 WeakPolarHBondContact O-CG 3.46Å; C242-R246 PolarHBondContact O-N 3.35Å; C243-R246 PolarHBondContact O-N 2.94Å; L244-R246 PolarHBondContact O-N 2.87Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 3.22Å; R246-K249 WeakPolarHBondContact O-CB 3.41Å; R246-K249 PolarHBondContact O-N 3.1Å; R246-E250 PolarHBondContact O-N 3.36Å |
| 247 | N | 83.3 | Confident | 81 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 178.6 | -68.9 | -23.9 | 0 | 0 | 0 | 111.8 | T14 C243 L244 K249 E250 D251 | T14-N247 HydrophobicContact CG2-CB 4.4Å; C243-N247 PolarHBondContact O-N 3.3Å; C243-N247 PolarHBondContact O-ND2 3.37Å; L244-N247 PolarHBondContact O-N 2.91Å; N247-K249 VanDerWaalsContact C-N 3.25Å; N247-K249 PolarHBondContact O-N 3.47Å; N247-E250 PolarHBondContact O-N 3.44Å; N247-D251 PolarHBondContact O-N 2.8Å |
| 248 | L | 80.4 | Confident | 80.3 | Confident | 15 Ų | 15 | 78.2 Ų | 78.2 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.4 | -27.3 | 175.4 | -80.3 | 158.5 | 0 | 0 | 0 | 113.6 | E86 L91 L244 R246 | E86-L248 HydrophobicContact CB-CD2 3.95Å; L91-L248 HydrophobicContact CD1-CD1 3.26Å; L244-L248 HydrophobicContact CD1-CD1 4.26Å; L244-L248 HydrophobicContact CG-CD1 4.04Å; L244-L248 WeakPolarHBondContact O-CD1 3.32Å; L244-L248 WeakPolarHBondContact O-CG 3.23Å; L244-L248 PolarHBondContact O-N 3.1Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 3.22Å |
| 249 | K | 75 | Confident | 79.3 | Confident | 101 Ų | 101 | 82 Ų | 82 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.9 | -39.3 | 174.8 | -174.7 | -173.8 | 177.1 | -169.5 | 0 | 111.2 | C245 R246 N247 D251 L252 | C245-K249 PolarHBondContact O-N 2.96Å; R246-K249 WeakPolarHBondContact O-CB 3.41Å; R246-K249 PolarHBondContact O-N 3.1Å; N247-K249 VanDerWaalsContact C-N 3.25Å; N247-K249 PolarHBondContact O-N 3.47Å; K249-D251 VanDerWaalsContact C-N 3.32Å; K249-L252 PolarHBondContact O-N 3.31Å |
| 250 | E | 66.4 | Low | 78.3 | Confident | 140 Ų | 140 | 78.9 Ų | 78.9 | 65% | 0.654 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.3 | -33.6 | 177.6 | -68.9 | 179.2 | 178.8 | 0 | 0 | 112 | R246 N247 L252 | R246-E250 PolarHBondContact O-N 3.36Å; N247-E250 PolarHBondContact O-N 3.44Å; E250-L252 VanDerWaalsContact C-N 3.26Å; E250-L252 PolarHBondContact O-N 3.43Å |
| 251 | D | 60.7 | Low | 77.2 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17.7 | 175.3 | -75.9 | -30.9 | 0 | 0 | 0 | 114.4 | R6 N247 K249 | R6-D251 PolarHBondContact NH1-O 3.37Å; R6-D251 PolarHBondContact NH2-O 3.08Å; N247-D251 PolarHBondContact O-N 2.8Å; K249-D251 VanDerWaalsContact C-N 3.32Å |
| 252 | L | 57 | Low | 76 | Confident | 134 Ų | 134 | 86.4 Ų | 86.4 | 70% | 0.702 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -23.7 | -178.8 | -91.1 | 153.6 | 0 | 0 | 0 | 113.5 | K249 E250 | K249-L252 PolarHBondContact O-N 3.31Å; E250-L252 VanDerWaalsContact C-N 3.26Å; E250-L252 PolarHBondContact O-N 3.43Å |
| 253 | Y | 45.3 | Very low | 74.6 | Confident | 237 Ų | 237 | 90 Ų | 90 | 93% | 0.929 | 41% | 0.414 | S | S | * | . | trans | -87.1 | 0 | 169 | -91.3 | -93.2 | 0 | 0 | 0 | 111 | R6 | R6-Y253 PolarHBondContact NH2-OXT 3.46Š|
Retrieved 253 of 253 residues in 200.1 ms
(Link to these results)