| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.1 | Very low | 38.7 | Very low | 224 Ų | 224 | 125.5 Ų | 125.5 | 100% | 1.103 | 63% | 0.63 | S | S | * | * | 0 | -54.5 | 0 | -87.6 | 167.6 | 159.5 | 0 | 0 | 113.9 | H3 K4 | M1-H3 PolarHBondContact O-N 3.26Å; M1-K4 PolarHBondContact O-N 2.87Å | |||
| 2 | M | 32.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 122.8 Ų | 122.8 | 82% | 0.823 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -50.9 | -19.8 | -170.5 | -75.5 | -178.7 | 167 | 0 | 0 | 118.8 | S5 | M2-S5 PolarHBondContact O-OG 2.84Å; M2-S5 VanDerWaalsContact O-OG 3.07Å |
| 3 | H | 37 | Very low | 41 | Very low | 175 Ų | 175 | 121.8 Ų | 121.8 | 81% | 0.81 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.3 | -23.4 | 172.8 | -85.9 | -86.7 | 0 | 0 | 0 | 114.3 | M1 | M1-H3 PolarHBondContact O-N 3.26Å |
| 4 | K | 34.6 | Very low | 42 | Very low | 166 Ų | 166 | 120 Ų | 120 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -81.6 | -26.5 | 176.4 | -105 | -169.5 | 173.5 | -170.7 | 0 | 113.5 | M1 S7 N8 | M1-K4 PolarHBondContact O-N 2.87Å; K4-S7 WeakPolarHBondContact CA-OG 3.19Å; K4-S7 PolarHBondContact O-OG 2.88Å; K4-N8 PolarHBondContact O-N 3.07Å; K4-N8 PolarHBondContact O-OD1 3.32Å |
| 5 | S | 35.9 | Very low | 43.2 | Very low | 60 Ų | 60 | 116.7 Ų | 116.7 | 42% | 0.42 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.8 | -40.7 | 174.1 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | M2 N8 Q9 | M2-S5 PolarHBondContact O-OG 2.84Å; M2-S5 VanDerWaalsContact O-OG 3.07Å; S5-N8 PolarHBondContact O-N 2.97Å; S5-Q9 WeakPolarHBondContact O-CG 3.36Å; S5-Q9 PolarHBondContact O-N 2.93Å |
| 6 | K | 38.8 | Very low | 44.8 | Very low | 151 Ų | 151 | 112.4 Ų | 112.4 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.2 | -37.3 | 175.8 | -78.6 | -166.2 | 171.5 | -170.8 | 0 | 113.7 | V10 | K6-V10 VanDerWaalsContact O-CG2 3.29Å; K6-V10 WeakPolarHBondContact O-CG2 3.28Å; K6-V10 PolarHBondContact O-N 3.34Å; K6-V10 VanDerWaalsContact O-N 3.1Å |
| 7 | S | 40.3 | Very low | 46.5 | Very low | 54 Ų | 54 | 111.8 Ų | 111.8 | 38% | 0.378 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.1 | -40.5 | 176.3 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | K4 L11 | K4-S7 WeakPolarHBondContact CA-OG 3.19Å; K4-S7 PolarHBondContact O-OG 2.88Å; S7-L11 WeakPolarHBondContact O-CG 3.47Å; S7-L11 PolarHBondContact O-N 3.1Å; S7-L11 VanDerWaalsContact O-N 3.16Å |
| 8 | N | 37.7 | Very low | 48.2 | Very low | 96 Ų | 96 | 109.9 Ų | 109.9 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.9 | -44.3 | 179.3 | -73.4 | 37.4 | 0 | 0 | 0 | 111.7 | K4 S5 V10 L11 E12 | K4-N8 PolarHBondContact O-N 3.07Å; K4-N8 PolarHBondContact O-OD1 3.32Å; S5-N8 PolarHBondContact O-N 2.97Å; N8-V10 VanDerWaalsContact C-N 3.31Å; N8-V10 PolarHBondContact O-N 2.92Å; N8-L11 PolarHBondContact O-N 3.37Å; N8-E12 WeakPolarHBondContact O-CG 3.22Å; N8-E12 PolarHBondContact O-N 3.16Å |
| 9 | Q | 43.9 | Very low | 49.9 | Very low | 113 Ų | 113 | 104.2 Ų | 104.2 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -33.2 | 177.4 | -73.5 | -175.1 | -48 | 0 | 0 | 113.3 | S5 I13 | S5-Q9 WeakPolarHBondContact O-CG 3.36Å; S5-Q9 PolarHBondContact O-N 2.93Å; Q9-I13 WeakPolarHBondContact O-CB 3.48Å; Q9-I13 WeakPolarHBondContact O-CD1 3.35Å; Q9-I13 WeakPolarHBondContact O-CG1 3.29Å; Q9-I13 PolarHBondContact O-N 3.16Å |
| 10 | V | 45 | Very low | 51.5 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 173.8 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | K6 N8 E12 I13 D14 | K6-V10 VanDerWaalsContact O-CG2 3.29Å; K6-V10 WeakPolarHBondContact O-CG2 3.28Å; K6-V10 PolarHBondContact O-N 3.34Å; K6-V10 VanDerWaalsContact O-N 3.1Å; N8-V10 VanDerWaalsContact C-N 3.31Å; N8-V10 PolarHBondContact O-N 2.92Å; V10-E12 PolarHBondContact O-N 2.87Å; V10-I13 PolarHBondContact O-N 3.07Å; V10-D14 WeakPolarHBondContact O-CB 3.47Å; V10-D14 PolarHBondContact O-N 3.33Å |
| 11 | L | 47.4 | Very low | 53 | Low | 95 Ų | 95 | 102.1 Ų | 102.1 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.1 | -74 | 164.8 | 0 | 0 | 0 | 112.7 | S7 N8 D14 H15 | S7-L11 WeakPolarHBondContact O-CG 3.47Å; S7-L11 PolarHBondContact O-N 3.1Å; S7-L11 VanDerWaalsContact O-N 3.16Å; N8-L11 PolarHBondContact O-N 3.37Å; L11-D14 PolarHBondContact O-N 3.22Å; L11-H15 PolarHBondContact O-CD2 3.39Å; L11-H15 PolarHBondContact O-N 3.01Å; L11-H15 VanDerWaalsContact O-N 3.09Å |
| 12 | E | 51.1 | Low | 55.5 | Low | 93 Ų | 93 | 92.9 Ų | 92.9 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -45 | 173.2 | -72.9 | 172.3 | 136.1 | 0 | 0 | 111.3 | N8 V10 I16 | N8-E12 WeakPolarHBondContact O-CG 3.22Å; N8-E12 PolarHBondContact O-N 3.16Å; V10-E12 PolarHBondContact O-N 2.87Å; E12-I16 WeakPolarHBondContact O-CB 3.42Å; E12-I16 WeakPolarHBondContact O-CD1 3.45Å; E12-I16 WeakPolarHBondContact O-CG1 3.47Å; E12-I16 PolarHBondContact O-N 3.3Å |
| 13 | I | 55.8 | Low | 58.1 | Low | 111 Ų | 111 | 85.9 Ų | 85.9 | 57% | 0.569 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.7 | -45.7 | 179 | -70.6 | 164.8 | 0 | 0 | 0 | 111.6 | Q9 V10 H15 I16 Q17 | Q9-I13 WeakPolarHBondContact O-CB 3.48Å; Q9-I13 WeakPolarHBondContact O-CD1 3.35Å; Q9-I13 WeakPolarHBondContact O-CG1 3.29Å; Q9-I13 PolarHBondContact O-N 3.16Å; V10-I13 PolarHBondContact O-N 3.07Å; I13-H15 PolarHBondContact O-N 2.65Å; I13-I16 PolarHBondContact O-N 2.75Å; I13-Q17 WeakPolarHBondContact O-CB 3.46Å; I13-Q17 PolarHBondContact O-N 3.16Å |
| 14 | D | 55.3 | Low | 60.3 | Low | 96 Ų | 96 | 80.2 Ų | 80.2 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | -178.8 | -70.9 | -22.8 | 0 | 0 | 0 | 111.7 | V10 L11 Q17 E18 | V10-D14 WeakPolarHBondContact O-CB 3.47Å; V10-D14 PolarHBondContact O-N 3.33Å; L11-D14 PolarHBondContact O-N 3.22Å; D14-Q17 WeakPolarHBondContact O-CB 3.19Å; D14-Q17 PolarHBondContact O-N 2.91Å; D14-E18 PolarHBondContact O-N 3.49Å |
| 15 | H | 59.9 | Low | 62.7 | Low | 71 Ų | 71 | 75.9 Ų | 75.9 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -79.4 | -28.8 | 176.7 | -70.4 | -57.4 | 0 | 0 | 0 | 114 | L11 I13 Q17 E18 L19 Y76 | L11-H15 PolarHBondContact O-CD2 3.39Å; L11-H15 PolarHBondContact O-N 3.01Å; L11-H15 VanDerWaalsContact O-N 3.09Å; I13-H15 PolarHBondContact O-N 2.65Å; H15-Q17 VanDerWaalsContact C-N 3.28Å; H15-E18 IonicContact CE1-OE2 2.88Å; H15-E18 IonicContact CG-OE2 3.52Å; H15-E18 IonicContact ND1-OE2 2.65Å; H15-E18 PolarHBondContact ND1-OE2 2.7Å; H15-E18 WeakPolarHBondContact O-CB 3.47Å; H15-E18 PolarHBondContact O-N 2.89Å; H15-L19 PolarHBondContact O-N 3.5Å; H15-Y76 HydrophobicContact CB-CE1 3.91Å; H15-Y76 WeakPolarHBondContact CB-OH 3.42Å |
| 16 | I | 69.3 | Low | 65 | Low | 47 Ų | 47 | 73 Ų | 73 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 168.8 | -69.4 | 163.8 | 0 | 0 | 0 | 109.8 | E12 I13 L19 H20 Y76 | E12-I16 WeakPolarHBondContact O-CB 3.42Å; E12-I16 WeakPolarHBondContact O-CD1 3.45Å; E12-I16 WeakPolarHBondContact O-CG1 3.47Å; E12-I16 PolarHBondContact O-N 3.3Å; I13-I16 PolarHBondContact O-N 2.75Å; I16-L19 PolarHBondContact O-N 3.14Å; I16-H20 PolarHBondContact O-N 3.19Å; I16-Y76 HydrophobicContact CG1-CD1 4.01Å; I16-Y76 HydrophobicContact CG1-CE1 3.79Å |
| 17 | Q | 74.1 | Confident | 67.1 | Low | 102 Ų | 102 | 70.5 Ų | 70.5 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 171.7 | -170.7 | 64.7 | 54.4 | 0 | 0 | 111.4 | I13 D14 H15 L19 H20 D21 | I13-Q17 WeakPolarHBondContact O-CB 3.46Å; I13-Q17 PolarHBondContact O-N 3.16Å; D14-Q17 WeakPolarHBondContact O-CB 3.19Å; D14-Q17 PolarHBondContact O-N 2.91Å; H15-Q17 VanDerWaalsContact C-N 3.28Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 3.09Å; Q17-H20 CarbonylContact O-C 3.47Å; Q17-H20 WeakPolarHBondContact O-CB 3.48Å; Q17-H20 PolarHBondContact O-N 2.92Å; Q17-H20 VanDerWaalsContact O-N 3.15Å; Q17-D21 PolarHBondContact NE2-OD1 3.4Å; Q17-D21 WeakPolarHBondContact O-CB 3.24Å; Q17-D21 VanDerWaalsContact O-CG 3.31Å; Q17-D21 PolarHBondContact O-N 2.79Å |
| 18 | E | 76.6 | Confident | 69.1 | Low | 79 Ų | 79 | 70.9 Ų | 70.9 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 174 | -173 | 176.2 | -166.2 | 0 | 0 | 112.5 | D14 H15 D21 H22 | D14-E18 PolarHBondContact O-N 3.49Å; H15-E18 IonicContact CE1-OE2 2.88Å; H15-E18 IonicContact CG-OE2 3.52Å; H15-E18 IonicContact ND1-OE2 2.65Å; H15-E18 PolarHBondContact ND1-OE2 2.7Å; H15-E18 WeakPolarHBondContact O-CB 3.47Å; H15-E18 PolarHBondContact O-N 2.89Å; E18-D21 PolarHBondContact O-N 3.24Å; E18-H22 WeakPolarHBondContact O-CB 3.12Å; E18-H22 PolarHBondContact O-N 2.94Å |
| 19 | L | 81 | Confident | 71.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.3 | -172.8 | 156.8 | 0 | 0 | 0 | 111.7 | H15 I16 Q17 H22 W23 I53 L56 Y76 T79 I80 | H15-L19 PolarHBondContact O-N 3.5Å; I16-L19 PolarHBondContact O-N 3.14Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 3.09Å; L19-H22 PolarHBondContact O-N 2.64Å; L19-W23 WeakPolarHBondContact O-CB 3.42Å; L19-W23 PolarHBondContact O-N 3.37Å; L19-I53 HydrophobicContact CD1-CG2 4.36Å; L19-I53 HydrophobicContact CG-CG1 4.41Å; L19-I53 HydrophobicContact CG-CG2 4.23Å; L19-L56 HydrophobicContact CB-CD1 3.87Å; L19-L56 HydrophobicContact CG-CD1 4.48Å; L19-Y76 HydrophobicContact CD1-CD1 3.97Å; L19-Y76 HydrophobicContact CD1-CG 4.19Å; L19-T79 HydrophobicContact CD2-CG2 3.69Å; L19-I80 HydrophobicContact CD1-CG1 4.43Å |
| 20 | H | 81.2 | Confident | 73 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 40% | 0.398 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.5 | -98.1 | 31 | 0 | 0 | 0 | 112.6 | I16 Q17 W23 A24 T79 | I16-H20 PolarHBondContact O-N 3.19Å; Q17-H20 CarbonylContact O-C 3.47Å; Q17-H20 WeakPolarHBondContact O-CB 3.48Å; Q17-H20 PolarHBondContact O-N 2.92Å; Q17-H20 VanDerWaalsContact O-N 3.15Å; H20-W23 PolarHBondContact O-N 3.22Å; H20-A24 WeakPolarHBondContact O-CB 3.37Å; H20-A24 PolarHBondContact O-N 2.72Å; H20-T79 VanDerWaalsContact CE1-CG2 3.44Å; H20-T79 WeakPolarHBondContact CE1-CG2 3.44Å |
| 21 | D | 82.6 | Confident | 74.5 | Confident | 79 Ų | 79 | 66 Ų | 66 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 178.9 | -72.8 | -1.5 | 0 | 0 | 0 | 110.8 | Q17 E18 W23 A24 N25 | Q17-D21 PolarHBondContact NE2-OD1 3.4Å; Q17-D21 WeakPolarHBondContact O-CB 3.24Å; Q17-D21 VanDerWaalsContact O-CG 3.31Å; Q17-D21 PolarHBondContact O-N 2.79Å; E18-D21 PolarHBondContact O-N 3.24Å; D21-W23 PolarHBondContact O-N 3.17Å; D21-A24 PolarHBondContact O-N 2.71Å; D21-N25 PolarHBondContact O-N 2.96Å; D21-N25 PolarHBondContact O-ND2 3.3Å |
| 22 | H | 85.2 | Confident | 75.7 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 171.6 | -77.9 | -4.7 | 0 | 0 | 0 | 112.6 | E18 L19 N25 C26 H49 K52 I53 | E18-H22 WeakPolarHBondContact O-CB 3.12Å; E18-H22 PolarHBondContact O-N 2.94Å; L19-H22 PolarHBondContact O-N 2.64Å; H22-N25 PolarHBondContact O-N 3.46Å; H22-C26 PolarHBondContact O-N 3.37Å; H22-C26 PolarHBondContact O-SG 2.8Å; H22-C26 VanDerWaalsContact O-SG 3.41Å; H22-H49 HydrophobicContact CB-CB 4.41Å; H22-H49 AromaticContact CE1-ND1 3.83Å; H22-H49 AromaticContact CG-ND1 3.74Å; H22-H49 AromaticContact ND1-CE1 3.94Å; H22-H49 AromaticContact ND1-ND1 3.35Å; H22-H49 PolarHBondContact ND1-ND1 2.8Å; H22-K52 WeakPolarHBondContact CD2-CB 3.44Å; H22-K52 WeakPolarHBondContact NE2-CB 3.43Å; H22-I53 HydrophobicContact CB-CD1 4.05Å; H22-I53 HydrophobicContact CB-CG1 3.81Å |
| 23 | W | 87.5 | Confident | 76 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 8% | 0.076 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70 | -35.5 | 177.8 | -178.4 | -129.6 | 0 | 0 | 0 | 112.7 | L19 H20 D21 N25 C26 K27 I53 I85 L88 | L19-W23 WeakPolarHBondContact O-CB 3.42Å; L19-W23 PolarHBondContact O-N 3.37Å; H20-W23 PolarHBondContact O-N 3.22Å; D21-W23 PolarHBondContact O-N 3.17Å; W23-N25 VanDerWaalsContact C-N 3.33Å; W23-N25 PolarHBondContact O-N 3.48Å; W23-C26 HydrophobicContact CE3-CB 3.57Å; W23-C26 HydrophobicContact CZ3-CB 3.78Å; W23-C26 WeakPolarHBondContact O-CB 3.4Å; W23-C26 PolarHBondContact O-N 3.29Å; W23-K27 VanDerWaalsContact O-CB 3.28Å; W23-K27 WeakPolarHBondContact O-CB 3.15Å; W23-K27 PolarHBondContact O-N 3.05Å; W23-I53 HydrophobicContact CB-CD1 3.99Å; W23-I53 HydrophobicContact CE3-CD1 4.37Å; W23-I85 HydrophobicContact CD2-CD1 3.88Å; W23-I85 HydrophobicContact CD2-CG1 3.93Å; W23-I85 HydrophobicContact CE3-CD1 4.04Å; W23-I85 HydrophobicContact CE3-CG1 4.11Å; W23-I85 HydrophobicContact CE3-CG2 4.06Å; W23-I85 HydrophobicContact CG-CD1 4.11Å; W23-I85 HydrophobicContact CG-CG1 4.5Å; W23-I85 HydrophobicContact CH2-CB 4.26Å; W23-I85 HydrophobicContact CH2-CG1 4.22Å; W23-I85 HydrophobicContact CH2-CG2 4.01Å; W23-I85 HydrophobicContact CZ2-CB 4.45Å; W23-I85 HydrophobicContact CZ2-CG1 3.99Å; W23-I85 HydrophobicContact CZ3-CB 4.35Å; W23-I85 HydrophobicContact CZ3-CG1 4.27Å; W23-I85 HydrophobicContact CZ3-CG2 3.69Å; W23-L88 HydrophobicContact CH2-CB 4.26Å; W23-L88 HydrophobicContact CH2-CD1 4.45Å; W23-L88 HydrophobicContact CZ2-CB 4.46Å; W23-L88 HydrophobicContact CZ2-CD1 3.83Å |
| 24 | A | 84.2 | Confident | 76 | Confident | 56 Ų | 56 | 68 Ų | 68 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | H20 D21 K27 S28 | H20-A24 WeakPolarHBondContact O-CB 3.37Å; H20-A24 PolarHBondContact O-N 2.72Å; D21-A24 PolarHBondContact O-N 2.71Å; A24-K27 PolarHBondContact O-N 3.35Å; A24-S28 WeakPolarHBondContact O-CB 3.41Å; A24-S28 PolarHBondContact O-N 2.91Å; A24-S28 PolarHBondContact O-OG 3.17Å |
| 25 | N | 84.2 | Confident | 75.7 | Confident | 75 Ų | 75 | 71.8 Ų | 71.8 | 40% | 0.401 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 172.4 | -76.5 | -64.8 | 0 | 0 | 0 | 111.9 | D21 H22 W23 K27 S28 L29 | D21-N25 PolarHBondContact O-N 2.96Å; D21-N25 PolarHBondContact O-ND2 3.3Å; H22-N25 PolarHBondContact O-N 3.46Å; W23-N25 VanDerWaalsContact C-N 3.33Å; W23-N25 PolarHBondContact O-N 3.48Å; N25-K27 PolarHBondContact O-N 3.29Å; N25-S28 PolarHBondContact O-OG 2.92Å; N25-S28 VanDerWaalsContact O-OG 3.09Å; N25-L29 WeakPolarHBondContact O-CG 3.49Å; N25-L29 PolarHBondContact O-N 2.73Å |
| 26 | C | 83.7 | Confident | 75.5 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54 | -52.2 | 171.3 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | H22 W23 L29 I30 H49 | H22-C26 PolarHBondContact O-N 3.37Å; H22-C26 PolarHBondContact O-SG 2.8Å; H22-C26 VanDerWaalsContact O-SG 3.41Å; W23-C26 HydrophobicContact CE3-CB 3.57Å; W23-C26 HydrophobicContact CZ3-CB 3.78Å; W23-C26 WeakPolarHBondContact O-CB 3.4Å; W23-C26 PolarHBondContact O-N 3.29Å; C26-L29 PolarHBondContact O-N 3.16Å; C26-I30 WeakPolarHBondContact O-CD1 3.21Å; C26-I30 VanDerWaalsContact O-CG1 3.26Å; C26-I30 WeakPolarHBondContact O-CG1 3.37Å; C26-I30 PolarHBondContact O-N 2.98Å; C26-H49 WeakPolarHBondContact SG-CB 3.28Å |
| 27 | K | 83.2 | Confident | 74.9 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | -172.2 | -173.5 | 172.6 | -179.7 | 178.9 | 0 | 112.5 | W23 A24 N25 L29 I30 D31 | W23-K27 VanDerWaalsContact O-CB 3.28Å; W23-K27 WeakPolarHBondContact O-CB 3.15Å; W23-K27 PolarHBondContact O-N 3.05Å; A24-K27 PolarHBondContact O-N 3.35Å; N25-K27 PolarHBondContact O-N 3.29Å; K27-L29 VanDerWaalsContact C-N 3.31Å; K27-L29 PolarHBondContact O-N 3Å; K27-I30 PolarHBondContact O-N 3.2Å; K27-I30 VanDerWaalsContact O-N 3.16Å; K27-D31 WeakPolarHBondContact O-CB 3.16Å; K27-D31 PolarHBondContact O-N 3.06Å |
| 28 | S | 83.1 | Confident | 74.5 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 44% | 0.441 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 175.3 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | A24 N25 V32 | A24-S28 WeakPolarHBondContact O-CB 3.41Å; A24-S28 PolarHBondContact O-N 2.91Å; A24-S28 PolarHBondContact O-OG 3.17Å; N25-S28 PolarHBondContact O-OG 2.92Å; N25-S28 VanDerWaalsContact O-OG 3.09Å; S28-V32 WeakPolarHBondContact O-CG2 3.5Å; S28-V32 PolarHBondContact O-N 2.9Å |
| 29 | L | 81.5 | Confident | 74.3 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 26% | 0.262 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 172.6 | -69.1 | 170.8 | 0 | 0 | 0 | 112.5 | N25 C26 K27 K42 T45 V46 | N25-L29 WeakPolarHBondContact O-CG 3.49Å; N25-L29 PolarHBondContact O-N 2.73Å; C26-L29 PolarHBondContact O-N 3.16Å; K27-L29 VanDerWaalsContact C-N 3.31Å; K27-L29 PolarHBondContact O-N 3Å; L29-K42 WeakPolarHBondContact O-CE 3.24Å; L29-K42 PolarHBondContact O-NZ 3.47Å; L29-T45 HydrophobicContact CD1-CG2 3.75Å; L29-V46 HydrophobicContact CB-CG2 3.68Å; L29-V46 HydrophobicContact CD1-CG2 3.88Å; L29-V46 HydrophobicContact CG-CG2 4.45Å |
| 30 | I | 80.6 | Confident | 74 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 15% | 0.149 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | 177.2 | -73.8 | 165.1 | 0 | 0 | 0 | 111.7 | C26 K27 V32 V46 L89 W92 | C26-I30 WeakPolarHBondContact O-CD1 3.21Å; C26-I30 VanDerWaalsContact O-CG1 3.26Å; C26-I30 WeakPolarHBondContact O-CG1 3.37Å; C26-I30 PolarHBondContact O-N 2.98Å; K27-I30 PolarHBondContact O-N 3.2Å; K27-I30 VanDerWaalsContact O-N 3.16Å; I30-V32 VanDerWaalsContact C-N 3.31Å; I30-V32 PolarHBondContact O-N 3.07Å; I30-V46 HydrophobicContact CD1-CG1 4.38Å; I30-L89 HydrophobicContact CD1-CD2 3.95Å; I30-W92 HydrophobicContact CB-CG 4.5Å; I30-W92 HydrophobicContact CD1-CD2 4.49Å; I30-W92 HydrophobicContact CD1-CE3 4.48Å; I30-W92 HydrophobicContact CG1-CD2 3.85Å; I30-W92 HydrophobicContact CG1-CE3 4.19Å; I30-W92 HydrophobicContact CG1-CG 4.08Å; I30-W92 HydrophobicContact CG2-CB 4.15Å; I30-W92 HydrophobicContact CG2-CG 3.9Å |
| 31 | D | 78.1 | Confident | 73.9 | Confident | 107 Ų | 107 | 71.1 Ų | 71.1 | 57% | 0.572 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -74 | -16.6 | -177.5 | -74.8 | -29.1 | 0 | 0 | 0 | 113.3 | K27 K33 | K27-D31 WeakPolarHBondContact O-CB 3.16Å; K27-D31 PolarHBondContact O-N 3.06Å; D31-K33 PolarHBondContact O-N 3.47Å; D31-K33 VanDerWaalsContact O-N 3.14Å |
| 32 | V | 71.4 | Confident | 73.9 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -70.4 | 107.6 | 170.4 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | S28 I30 D34 K42 | S28-V32 WeakPolarHBondContact O-CG2 3.5Å; S28-V32 PolarHBondContact O-N 2.9Å; I30-V32 VanDerWaalsContact C-N 3.31Å; I30-V32 PolarHBondContact O-N 3.07Å; V32-D34 PolarHBondContact O-N 3.08Å; V32-K42 PolarHBondContact O-NZ 3.47Å |
| 33 | K | 57.1 | Low | 73.9 | Confident | 206 Ų | 206 | 66.8 Ų | 66.8 | 90% | 0.896 | 38% | 0.376 | S | S | * | . | trans | -61.4 | 112.8 | 170.1 | -66.5 | -178.3 | 177.6 | -179.5 | 0 | 110.9 | D31 | D31-K33 PolarHBondContact O-N 3.47Å; D31-K33 VanDerWaalsContact O-N 3.14Å | ||
| 34 | D | 56.9 | Low | 73.8 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | trans | -91.9 | 154 | 169.3 | -58.1 | -36.3 | 0 | 0 | 0 | 111.1 | V32 G36 H38 K42 | V32-D34 PolarHBondContact O-N 3.08Å; D34-G36 VanDerWaalsContact C-N 3.26Å; D34-G36 PolarHBondContact O-N 3.34Å; D34-H38 IonicContact OD2-CE1 3.97Å; D34-H38 IonicContact OD2-CG 2.59Å; D34-H38 IonicContact OD2-ND1 2.69Å; D34-H38 PolarHBondContact OD2-ND1 3.47Å; D34-K42 IonicContact OD1-NZ 3.72Å; D34-K42 PolarHBondContact OD1-NZ 3.02Å; D34-K42 VanDerWaalsContact OD2-CD 3.27Å; D34-K42 WeakPolarHBondContact OD2-CD 3.25Å; D34-K42 IonicContact OD2-NZ 2.72Å; D34-K42 PolarHBondContact OD2-NZ 3.24Å | ||
| 35 | D | 49.6 | Very low | 73.9 | Confident | 175 Ų | 175 | 69.4 Ų | 69.4 | 94% | 0.936 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -73.4 | 73.7 | 173.2 | -70.6 | -48.1 | 0 | 0 | 0 | 112.2 | V37 | D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 PolarHBondContact O-N 3.37Å |
| 36 | G | 53.6 | Low | 74 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 76.2 | -18.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | D34 T98 | D34-G36 VanDerWaalsContact C-N 3.26Å; D34-G36 PolarHBondContact O-N 3.34Å; G36-T98 WeakPolarHBondContact O-CG2 3.41Å |
| 37 | V | 57.1 | Low | 74.3 | Confident | 72 Ų | 72 | 66 Ų | 66 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -139.4 | 109.6 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | D35 | D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 PolarHBondContact O-N 3.37Å |
| 38 | H | 65.8 | Low | 74.5 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 10% | 0.102 | 37% | 0.371 | C | S | . | . | trans | -58.7 | 136.8 | 171.8 | -59.5 | -51.4 | 0 | 0 | 0 | 111.2 | D34 I43 W92 N96 T107 | D34-H38 IonicContact OD2-CE1 3.97Å; D34-H38 IonicContact OD2-CG 2.59Å; D34-H38 IonicContact OD2-ND1 2.69Å; D34-H38 PolarHBondContact OD2-ND1 3.47Å; H38-I43 HydrophobicContact CB-CD1 4.09Å; H38-I43 HydrophobicContact CB-CG1 4.18Å; H38-W92 AromaticContact CE1-NE1 3.81Å; H38-W92 AromaticContact NE2-NE1 3.75Å; H38-N96 PolarHBondContact NE2-ND2 2.86Å; H38-T107 HydrophobicContact CB-CG2 4.24Å | ||
| 39 | S | 72.4 | Confident | 74.7 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | trans | -70.4 | 145.7 | 170.2 | 73 | 0 | 0 | 0 | 0 | 110.3 | S41 K42 I43 | S39-S41 PolarHBondContact O-N 3.4Å; S39-S41 PolarHBondContact OG-OG 3.02Å; S39-K42 PolarHBondContact O-N 3.28Å; S39-K42 WeakPolarHBondContact OG-CB 3.37Å; S39-K42 PolarHBondContact OG-N 3.28Å; S39-K42 VanDerWaalsContact OG-N 3.17Å; S39-I43 PolarHBondContact O-N 2.88Å | ||
| 40 | I | 75.3 | Confident | 75 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 176.5 | -67.9 | 167.1 | 0 | 0 | 0 | 109.9 | K42 I43 D44 | I40-K42 VanDerWaalsContact C-N 3.29Å; I40-K42 PolarHBondContact O-N 3.45Å; I40-I43 WeakPolarHBondContact O-CA 3.47Å; I40-I43 WeakPolarHBondContact O-CB 3.46Å; I40-I43 PolarHBondContact O-N 2.65Å; I40-D44 WeakPolarHBondContact CG2-OD2 3.25Å; I40-D44 PolarHBondContact O-N 2.66Å |
| 41 | S | 78.9 | Confident | 75.3 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.6 | -33.2 | 175 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | S39 T45 | S39-S41 PolarHBondContact O-N 3.4Å; S39-S41 PolarHBondContact OG-OG 3.02Å; S41-T45 WeakPolarHBondContact O-CB 3.4Å; S41-T45 PolarHBondContact O-N 3.4Å; S41-T45 PolarHBondContact O-OG1 3.02Å |
| 42 | K | 83.4 | Confident | 75.7 | Confident | 20 Ų | 20 | 62.5 Ų | 62.5 | 9% | 0.087 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.5 | -38.1 | 176.4 | -172.5 | 179.2 | -178.3 | -175.2 | 0 | 110.7 | L29 V32 D34 S39 I40 V46 | L29-K42 WeakPolarHBondContact O-CE 3.24Å; L29-K42 PolarHBondContact O-NZ 3.47Å; V32-K42 PolarHBondContact O-NZ 3.47Å; D34-K42 IonicContact OD1-NZ 3.72Å; D34-K42 PolarHBondContact OD1-NZ 3.02Å; D34-K42 VanDerWaalsContact OD2-CD 3.27Å; D34-K42 WeakPolarHBondContact OD2-CD 3.25Å; D34-K42 IonicContact OD2-NZ 2.72Å; D34-K42 PolarHBondContact OD2-NZ 3.24Å; S39-K42 PolarHBondContact O-N 3.28Å; S39-K42 WeakPolarHBondContact OG-CB 3.37Å; S39-K42 PolarHBondContact OG-N 3.28Å; S39-K42 VanDerWaalsContact OG-N 3.17Å; I40-K42 VanDerWaalsContact C-N 3.29Å; I40-K42 PolarHBondContact O-N 3.45Å; K42-V46 WeakPolarHBondContact O-CG2 3.31Å; K42-V46 PolarHBondContact O-N 3.44Å |
| 43 | I | 84.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -51.1 | 175.1 | -63.7 | 168.9 | 0 | 0 | 0 | 110.3 | H38 S39 I40 T45 V46 F47 W92 T107 V110 L111 | H38-I43 HydrophobicContact CB-CD1 4.09Å; H38-I43 HydrophobicContact CB-CG1 4.18Å; S39-I43 PolarHBondContact O-N 2.88Å; I40-I43 WeakPolarHBondContact O-CA 3.47Å; I40-I43 WeakPolarHBondContact O-CB 3.46Å; I40-I43 PolarHBondContact O-N 2.65Å; I43-T45 VanDerWaalsContact C-N 3.28Å; I43-T45 PolarHBondContact O-N 3.19Å; I43-V46 PolarHBondContact O-N 2.76Å; I43-F47 HydrophobicContact CG2-CD2 3.96Å; I43-F47 HydrophobicContact CG2-CE2 4.34Å; I43-F47 PolarHBondContact O-N 3.3Å; I43-W92 HydrophobicContact CG1-CH2 4.45Å; I43-T107 HydrophobicContact CD1-CG2 3.45Å; I43-T107 VanDerWaalsContact CD1-CG2 3.45Å; I43-V110 HydrophobicContact CG2-CG1 4.42Å; I43-L111 HydrophobicContact CB-CD2 4.34Å; I43-L111 HydrophobicContact CD1-CD1 4.46Å; I43-L111 HydrophobicContact CD1-CD2 3.99Å; I43-L111 HydrophobicContact CD1-CG 3.91Å; I43-L111 HydrophobicContact CG1-CD2 3.79Å; I43-L111 HydrophobicContact CG1-CG 4.28Å; I43-L111 HydrophobicContact CG2-CD2 3.73Å; I43-L111 HydrophobicContact CG2-CG 4.4Å |
| 44 | D | 84.7 | Confident | 77.8 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | -179.3 | -55.2 | -23.2 | 0 | 0 | 0 | 111 | I40 Y48 H114 | I40-D44 WeakPolarHBondContact CG2-OD2 3.25Å; I40-D44 PolarHBondContact O-N 2.66Å; D44-Y48 VanDerWaalsContact O-CB 3.27Å; D44-Y48 WeakPolarHBondContact O-CB 3.43Å; D44-Y48 PolarHBondContact O-N 2.8Å; D44-H114 IonicContact OD1-CE1 2.72Å |
| 45 | T | 86.2 | Confident | 79 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 175.5 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | L29 S41 I43 Y48 H49 | L29-T45 HydrophobicContact CD1-CG2 3.75Å; S41-T45 WeakPolarHBondContact O-CB 3.4Å; S41-T45 PolarHBondContact O-N 3.4Å; S41-T45 PolarHBondContact O-OG1 3.02Å; I43-T45 VanDerWaalsContact C-N 3.28Å; I43-T45 PolarHBondContact O-N 3.19Å; T45-Y48 PolarHBondContact O-N 2.93Å; T45-H49 PolarHBondContact O-CD2 3.48Å; T45-H49 VanDerWaalsContact O-CD2 3.23Å; T45-H49 PolarHBondContact O-N 2.98Å |
| 46 | V | 88.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 175.7 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | L29 I30 K42 I43 H49 V50 L89 W92 | L29-V46 HydrophobicContact CB-CG2 3.68Å; L29-V46 HydrophobicContact CD1-CG2 3.88Å; L29-V46 HydrophobicContact CG-CG2 4.45Å; I30-V46 HydrophobicContact CD1-CG1 4.38Å; K42-V46 WeakPolarHBondContact O-CG2 3.31Å; K42-V46 PolarHBondContact O-N 3.44Å; I43-V46 PolarHBondContact O-N 2.76Å; V46-H49 PolarHBondContact O-N 3.21Å; V46-V50 HydrophobicContact CG1-CG2 4.44Å; V46-V50 WeakPolarHBondContact O-CG2 3.43Å; V46-V50 PolarHBondContact O-N 3.16Å; V46-L89 HydrophobicContact CG1-CD2 4.33Å; V46-W92 HydrophobicContact CB-CH2 4.23Å; V46-W92 HydrophobicContact CB-CZ3 4.4Å; V46-W92 HydrophobicContact CG1-CH2 4.2Å; V46-W92 HydrophobicContact CG1-CZ3 3.9Å; V46-W92 HydrophobicContact CG2-CH2 4.16Å |
| 47 | F | 89.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.2 | -25.3 | -178.7 | -83.9 | -75.2 | 0 | 0 | 0 | 114.2 | I43 V50 S51 W92 I93 L111 H114 L115 T118 | I43-F47 HydrophobicContact CG2-CD2 3.96Å; I43-F47 HydrophobicContact CG2-CE2 4.34Å; I43-F47 PolarHBondContact O-N 3.3Å; F47-V50 HydrophobicContact CD1-CB 4.39Å; F47-V50 PolarHBondContact O-N 2.85Å; F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 3.44Å; F47-S51 PolarHBondContact O-OG 2.72Å; F47-W92 HydrophobicContact CE2-CZ3 4.36Å; F47-I93 HydrophobicContact CZ-CD1 4.05Å; F47-L111 HydrophobicContact CE2-CD2 4.08Å; F47-H114 HydrophobicContact CB-CB 4.4Å; F47-H114 HydrophobicContact CD1-CB 3.68Å; F47-H114 HydrophobicContact CD2-CB 3.5Å; F47-H114 AromaticContact CD2-CG 3.86Å; F47-H114 HydrophobicContact CE1-CB 3.69Å; F47-H114 HydrophobicContact CE2-CB 3.51Å; F47-H114 HydrophobicContact CG-CB 3.58Å; F47-H114 AromaticContact CG-CG 3.93Å; F47-H114 HydrophobicContact CZ-CB 3.6Å; F47-L115 HydrophobicContact CE1-CB 4.47Å; F47-L115 HydrophobicContact CZ-CB 4.22Å; F47-T118 WeakPolarHBondContact CD1-OG1 3.14Å; F47-T118 WeakPolarHBondContact CE1-OG1 3.49Å |
| 48 | Y | 87.8 | Confident | 82.7 | Confident | 127 Ų | 127 | 39.6 Ų | 39.6 | 50% | 0.498 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.6 | -50.3 | 166 | 170.5 | -98.8 | 0 | 0 | 0 | 111.5 | D44 T45 S51 K52 | D44-Y48 VanDerWaalsContact O-CB 3.27Å; D44-Y48 WeakPolarHBondContact O-CB 3.43Å; D44-Y48 PolarHBondContact O-N 2.8Å; T45-Y48 PolarHBondContact O-N 2.93Å; Y48-S51 PolarHBondContact O-N 3.47Å; Y48-K52 HydrophobicContact CE1-CG 4.4Å; Y48-K52 WeakPolarHBondContact O-CG 3.4Å; Y48-K52 PolarHBondContact O-N 3.26Å; Y48-K52 VanDerWaalsContact O-N 3.08Å; Y48-K52 WeakPolarHBondContact OH-CE 3.49Å |
| 49 | H | 86.9 | Confident | 82.9 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 13% | 0.13 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.3 | -72.7 | -65 | 0 | 0 | 0 | 112.7 | H22 C26 T45 V46 S51 K52 I53 | H22-H49 HydrophobicContact CB-CB 4.41Å; H22-H49 AromaticContact CE1-ND1 3.83Å; H22-H49 AromaticContact CG-ND1 3.74Å; H22-H49 AromaticContact ND1-CE1 3.94Å; H22-H49 AromaticContact ND1-ND1 3.35Å; H22-H49 PolarHBondContact ND1-ND1 2.8Å; C26-H49 WeakPolarHBondContact SG-CB 3.28Å; T45-H49 PolarHBondContact O-CD2 3.48Å; T45-H49 VanDerWaalsContact O-CD2 3.23Å; T45-H49 PolarHBondContact O-N 2.98Å; V46-H49 PolarHBondContact O-N 3.21Å; H49-S51 VanDerWaalsContact C-N 3.31Å; H49-S51 PolarHBondContact O-N 3.35Å; H49-K52 WeakPolarHBondContact O-CB 3.38Å; H49-K52 PolarHBondContact O-N 2.87Å; H49-I53 WeakPolarHBondContact O-CG1 3.47Å; H49-I53 PolarHBondContact O-N 2.86Å |
| 50 | V | 88.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | V46 F47 K52 I53 I54 L89 T118 | V46-V50 HydrophobicContact CG1-CG2 4.44Å; V46-V50 WeakPolarHBondContact O-CG2 3.43Å; V46-V50 PolarHBondContact O-N 3.16Å; F47-V50 HydrophobicContact CD1-CB 4.39Å; F47-V50 PolarHBondContact O-N 2.85Å; V50-K52 VanDerWaalsContact C-N 3.32Å; V50-K52 PolarHBondContact O-N 3.12Å; V50-I53 WeakPolarHBondContact O-CB 3.34Å; V50-I53 PolarHBondContact O-N 3.45Å; V50-I54 PolarHBondContact O-N 2.7Å; V50-L89 HydrophobicContact CG1-CD1 4.04Å; V50-L89 HydrophobicContact CG2-CD1 3.9Å; V50-L89 HydrophobicContact CG2-CD2 4.2Å; V50-T118 HydrophobicContact CG1-CG2 3.58Å |
| 51 | S | 86.7 | Confident | 81.9 | Confident | 40 Ų | 40 | 42.3 Ų | 42.3 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | F47 Y48 H49 I54 L55 | F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 3.44Å; F47-S51 PolarHBondContact O-OG 2.72Å; Y48-S51 PolarHBondContact O-N 3.47Å; H49-S51 VanDerWaalsContact C-N 3.31Å; H49-S51 PolarHBondContact O-N 3.35Å; S51-I54 PolarHBondContact O-N 3.34Å; S51-L55 WeakPolarHBondContact O-CG 3.39Å; S51-L55 PolarHBondContact O-N 2.85Å |
| 52 | K | 86.6 | Confident | 80.8 | Confident | 78 Ų | 78 | 41.6 Ų | 41.6 | 34% | 0.339 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.8 | -41.9 | 172 | -68.8 | -72 | -175.9 | 175.6 | 0 | 112.5 | H22 Y48 H49 V50 I54 L55 L56 | H22-K52 WeakPolarHBondContact CD2-CB 3.44Å; H22-K52 WeakPolarHBondContact NE2-CB 3.43Å; Y48-K52 HydrophobicContact CE1-CG 4.4Å; Y48-K52 WeakPolarHBondContact O-CG 3.4Å; Y48-K52 PolarHBondContact O-N 3.26Å; Y48-K52 VanDerWaalsContact O-N 3.08Å; Y48-K52 WeakPolarHBondContact OH-CE 3.49Å; H49-K52 WeakPolarHBondContact O-CB 3.38Å; H49-K52 PolarHBondContact O-N 2.87Å; V50-K52 VanDerWaalsContact C-N 3.32Å; V50-K52 PolarHBondContact O-N 3.12Å; K52-I54 VanDerWaalsContact C-N 3.29Å; K52-I54 PolarHBondContact O-N 2.81Å; K52-L55 HydrophobicContact CD-CD1 4.36Å; K52-L55 PolarHBondContact O-N 3.36Å; K52-L56 PolarHBondContact O-N 3.47Å |
| 53 | I | 86.2 | Confident | 79 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 173.5 | -69 | 165.7 | 0 | 0 | 0 | 111 | L19 H22 W23 H49 V50 V57 I80 I85 | L19-I53 HydrophobicContact CD1-CG2 4.36Å; L19-I53 HydrophobicContact CG-CG1 4.41Å; L19-I53 HydrophobicContact CG-CG2 4.23Å; H22-I53 HydrophobicContact CB-CD1 4.05Å; H22-I53 HydrophobicContact CB-CG1 3.81Å; W23-I53 HydrophobicContact CB-CD1 3.99Å; W23-I53 HydrophobicContact CE3-CD1 4.37Å; H49-I53 WeakPolarHBondContact O-CG1 3.47Å; H49-I53 PolarHBondContact O-N 2.86Å; V50-I53 WeakPolarHBondContact O-CB 3.34Å; V50-I53 PolarHBondContact O-N 3.45Å; I53-V57 PolarHBondContact O-N 2.95Å; I53-I80 HydrophobicContact CG2-CD1 3.45Å; I53-I80 VanDerWaalsContact CG2-CD1 3.45Å; I53-I80 HydrophobicContact CG2-CG1 4.07Å; I53-I85 HydrophobicContact CG2-CD1 4.25Å |
| 54 | I | 84.9 | Confident | 76.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.4 | -73.3 | -177.2 | 0 | 0 | 0 | 112.4 | V50 S51 K52 L56 V57 V58 F86 T118 Q121 L122 | V50-I54 PolarHBondContact O-N 2.7Å; S51-I54 PolarHBondContact O-N 3.34Å; K52-I54 VanDerWaalsContact C-N 3.29Å; K52-I54 PolarHBondContact O-N 2.81Å; I54-L56 PolarHBondContact O-N 2.88Å; I54-V57 PolarHBondContact O-N 3.47Å; I54-V58 HydrophobicContact CG2-CG2 3.76Å; I54-V58 WeakPolarHBondContact O-CB 3.11Å; I54-V58 WeakPolarHBondContact O-CG2 3.35Å; I54-V58 PolarHBondContact O-N 3.3Å; I54-F86 HydrophobicContact CD1-CZ 4.3Å; I54-T118 HydrophobicContact CD1-CG2 3.35Å; I54-T118 VanDerWaalsContact CD1-O 3.22Å; I54-T118 WeakPolarHBondContact CD1-O 3.24Å; I54-Q121 HydrophobicContact CG2-CB 4.32Å; I54-L122 HydrophobicContact CD1-CB 4.2Å; I54-L122 HydrophobicContact CG1-CD1 4.35Å |
| 55 | L | 83.8 | Confident | 74.5 | Confident | 95 Ų | 95 | 52 Ų | 52 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.2 | -38.1 | 177.7 | -81.2 | 161.8 | 0 | 0 | 0 | 112.5 | S51 K52 | S51-L55 WeakPolarHBondContact O-CG 3.39Å; S51-L55 PolarHBondContact O-N 2.85Å; K52-L55 HydrophobicContact CD-CD1 4.36Å; K52-L55 PolarHBondContact O-N 3.36Å |
| 56 | L | 80.7 | Confident | 72 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 175.3 | -64.1 | 172 | 0 | 0 | 0 | 112.5 | L19 K52 I54 Y76 | L19-L56 HydrophobicContact CB-CD1 3.87Å; L19-L56 HydrophobicContact CG-CD1 4.48Å; K52-L56 PolarHBondContact O-N 3.47Å; I54-L56 PolarHBondContact O-N 2.88Å; L56-Y76 HydrophobicContact CB-CD2 4.31Å; L56-Y76 HydrophobicContact CB-CG 4.33Å; L56-Y76 VanDerWaalsContact O-CD2 3.29Å; L56-Y76 WeakPolarHBondContact O-CD2 3.38Å |
| 57 | V | 78.6 | Confident | 69.3 | Low | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -76 | -34.2 | 178.3 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | I53 I54 D59 E60 L77 I80 L122 | I53-V57 PolarHBondContact O-N 2.95Å; I54-V57 PolarHBondContact O-N 3.47Å; V57-D59 VanDerWaalsContact C-N 3.3Å; V57-D59 PolarHBondContact O-N 2.92Å; V57-E60 WeakPolarHBondContact O-CB 3.29Å; V57-E60 PolarHBondContact O-N 3.38Å; V57-E60 VanDerWaalsContact O-N 3.12Å; V57-L77 HydrophobicContact CG1-CB 4.45Å; V57-L77 HydrophobicContact CG1-CD1 4.31Å; V57-I80 HydrophobicContact CG2-CD1 3.56Å; V57-I80 HydrophobicContact CG2-CG1 4.25Å; V57-L122 HydrophobicContact CG1-CD1 4.19Å |
| 58 | V | 78 | Confident | 66.6 | Low | 15 Ų | 15 | 67.1 Ų | 67.1 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | -178 | 157.2 | 0 | 0 | 0 | 0 | 111.7 | I54 E60 Q125 | I54-V58 HydrophobicContact CG2-CG2 3.76Å; I54-V58 WeakPolarHBondContact O-CB 3.11Å; I54-V58 WeakPolarHBondContact O-CG2 3.35Å; I54-V58 PolarHBondContact O-N 3.3Å; V58-E60 VanDerWaalsContact C-N 3.35Å; V58-Q125 HydrophobicContact CB-CB 4.39Å; V58-Q125 HydrophobicContact CG1-CB 3.69Å; V58-Q125 HydrophobicContact CG2-CB 3.75Å |
| 59 | D | 69.8 | Low | 64.3 | Low | 109 Ų | 109 | 69 Ų | 69 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11.5 | 178.4 | -101.9 | -47.5 | 0 | 0 | 0 | 114.4 | V57 H61 K127 | V57-D59 VanDerWaalsContact C-N 3.3Å; V57-D59 PolarHBondContact O-N 2.92Å; D59-H61 PolarHBondContact O-CD2 3.05Å; D59-H61 PolarHBondContact O-N 3.16Å; D59-K127 PolarHBondContact O-NZ 3.1Å; D59-K127 WeakPolarHBondContact OD1-CE 3.35Å; D59-K127 IonicContact OD1-NZ 2.66Å; D59-K127 PolarHBondContact OD1-NZ 3.26Å |
| 60 | E | 68.9 | Low | 62.3 | Low | 19 Ų | 19 | 76 Ų | 76 | 9% | 0.089 | 42% | 0.42 | C | S | . | . | trans | -72.4 | 113.8 | -173.9 | -164.7 | 171.9 | -136.3 | 0 | 0 | 112.3 | V57 V58 G74 S75 Y76 L77 Q128 | V57-E60 WeakPolarHBondContact O-CB 3.29Å; V57-E60 PolarHBondContact O-N 3.38Å; V57-E60 VanDerWaalsContact O-N 3.12Å; V58-E60 VanDerWaalsContact C-N 3.35Å; E60-G74 VanDerWaalsContact CD-C 3.5Å; E60-G74 VanDerWaalsContact OE1-C 3.28Å; E60-G74 VanDerWaalsContact OE2-C 3.26Å; E60-G74 VanDerWaalsContact OE2-CA 3.25Å; E60-G74 WeakPolarHBondContact OE2-CA 3.36Å; E60-S75 WeakPolarHBondContact OE1-CA 3.17Å; E60-S75 PolarHBondContact OE1-N 2.82Å; E60-S75 PolarHBondContact OE1-OG 3.28Å; E60-Y76 HydrophobicContact CB-CD2 4.05Å; E60-Y76 HydrophobicContact CG-CD2 4.01Å; E60-Y76 HydrophobicContact CG-CE2 4.48Å; E60-Y76 VanDerWaalsContact OE1-CD2 3.24Å; E60-Y76 WeakPolarHBondContact OE1-CD2 3.35Å; E60-Y76 PolarHBondContact OE1-N 3.27Å; E60-Y76 PolarHBondContact OE2-N 3.41Å; E60-L77 PolarHBondContact OE2-N 2.84Å; E60-L77 VanDerWaalsContact OE2-N 3.16Å; E60-Q128 PolarHBondContact O-NE2 2.79Å | ||
| 61 | H | 58.7 | Low | 60.5 | Low | 111 Ų | 111 | 80.1 Ų | 80.1 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 137 | 168.3 | -68 | -104.1 | 0 | 0 | 0 | 109.8 | D59 S63 K127 | D59-H61 PolarHBondContact O-CD2 3.05Å; D59-H61 PolarHBondContact O-N 3.16Å; H61-S63 PolarHBondContact O-N 3.3Å; H61-K127 PolarHBondContact CD2-NZ 3.39Å; H61-K127 WeakPolarHBondContact NE2-CD 3.35Å; H61-K127 PolarHBondContact NE2-NZ 3.4Å |
| 62 | S | 54.5 | Low | 58.8 | Low | 58 Ų | 58 | 80.7 Ų | 80.7 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -60 | 131.3 | 166.4 | 51.4 | 0 | 0 | 0 | 0 | 109.3 | D64 | S62-D64 PolarHBondContact O-N 3.01Š|
| 63 | S | 46.4 | Very low | 57.6 | Low | 80 Ų | 80 | 80.3 Ų | 80.3 | 56% | 0.559 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 127.1 | 178.2 | -84.8 | 0 | 0 | 0 | 0 | 111.1 | H61 A65 | H61-S63 PolarHBondContact O-N 3.3Å; S63-A65 PolarHBondContact O-N 2.91Å |
| 64 | D | 39.5 | Very low | 56.7 | Low | 167 Ų | 167 | 80.5 Ų | 80.5 | 89% | 0.893 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -65.6 | 9 | 177.8 | -68.2 | -51.2 | 0 | 0 | 0 | 114.2 | S62 L66 | S62-D64 PolarHBondContact O-N 3.01Å; D64-L66 PolarHBondContact O-N 2.81Å; D64-L66 VanDerWaalsContact O-N 3.16Å |
| 65 | A | 35.7 | Very low | 56.2 | Low | 59 Ų | 59 | 81.9 Ų | 81.9 | 49% | 0.488 | 45% | 0.454 | S | S | . | . | trans | -78.9 | 91.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S63 E67 V72 | S63-A65 PolarHBondContact O-N 2.91Å; A65-E67 PolarHBondContact O-N 2.85Å; A65-V72 WeakPolarHBondContact O-CG2 3.38Å | ||
| 66 | L | 32.9 | Very low | 55.9 | Low | 153 Ų | 153 | 78.9 Ų | 78.9 | 80% | 0.801 | 44% | 0.436 | S | S | * | . | trans | -76.7 | 61.6 | -172.6 | -144 | 167.5 | 0 | 0 | 0 | 113.3 | D64 G68 | D64-L66 PolarHBondContact O-N 2.81Å; D64-L66 VanDerWaalsContact O-N 3.16Å; L66-G68 VanDerWaalsContact C-N 3.34Å; L66-G68 PolarHBondContact O-N 3.25Å | ||
| 67 | E | 31.8 | Very low | 55.7 | Low | 172 Ų | 172 | 77.3 Ų | 77.3 | 80% | 0.804 | 43% | 0.428 | S | S | * | . | trans | -77.3 | 76.9 | 176 | -69.7 | -153.5 | 145.7 | 0 | 0 | 112.8 | A65 | A65-E67 PolarHBondContact O-N 2.85Š| ||
| 68 | G | 32 | Very low | 55.7 | Low | 58 Ų | 58 | 80.8 Ų | 80.8 | 60% | 0.598 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 67 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | L66 K70 | L66-G68 VanDerWaalsContact C-N 3.34Å; L66-G68 PolarHBondContact O-N 3.25Å; G68-K70 PolarHBondContact O-N 3.37Å |
| 69 | N | 38.6 | Very low | 55.7 | Low | 166 Ų | 166 | 80.8 Ų | 80.8 | 89% | 0.888 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 4.4 | 166.6 | -71.1 | -0.4 | 0 | 0 | 0 | 117.8 | ||
| 70 | K | 45 | Very low | 56.2 | Low | 177 Ų | 177 | 75.8 Ų | 75.8 | 77% | 0.77 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -89.5 | 145.8 | 162.1 | -70.9 | -175.6 | 175.7 | -176.8 | 0 | 109.6 | G68 V72 | G68-K70 PolarHBondContact O-N 3.37Å; K70-V72 PolarHBondContact O-N 3.11Å |
| 71 | L | 50.8 | Low | 56.9 | Low | 86 Ų | 86 | 76.1 Ų | 76.1 | 45% | 0.45 | 42% | 0.42 | S | S | . | . | trans | -64.4 | 122.8 | 161.4 | -74.1 | 130.1 | 0 | 0 | 0 | 107.3 | E73 L132 | L71-E73 PolarHBondContact O-N 2.86Å; L71-L132 HydrophobicContact CD1-CD1 4.01Å; L71-L132 HydrophobicContact CD2-CD1 4.1Å | ||
| 72 | V | 52 | Low | 58 | Low | 52 Ų | 52 | 77.5 Ų | 77.5 | 32% | 0.315 | 42% | 0.424 | S | S | . | . | trans | -80.4 | 101.3 | 172.9 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | A65 K70 | A65-V72 WeakPolarHBondContact O-CG2 3.38Å; K70-V72 PolarHBondContact O-N 3.11Å | ||
| 73 | E | 61.7 | Low | 59.3 | Low | 71 Ų | 71 | 76.1 Ų | 76.1 | 33% | 0.332 | 42% | 0.415 | S | S | . | . | trans | -58.2 | 136.9 | 176.3 | -72.2 | 169.8 | -137.4 | 0 | 0 | 110.1 | L71 E78 I81 Y133 | L71-E73 PolarHBondContact O-N 2.86Å; E73-E78 HydrophobicContact CB-CB 3.95Å; E73-E78 HydrophobicContact CB-CG 4.29Å; E73-E78 WeakPolarHBondContact OE2-CA 3.25Å; E73-E78 WeakPolarHBondContact OE2-CG 3.46Å; E73-I81 HydrophobicContact CG-CD1 4.44Å; E73-I81 WeakPolarHBondContact OE2-CD1 3.19Å; E73-Y133 HydrophobicContact CG-CD1 4.27Å; E73-Y133 HydrophobicContact CG-CE1 3.39Å | ||
| 74 | G | 66.8 | Low | 61.1 | Low | 5 Ų | 5 | 75 Ų | 75 | 5% | 0.052 | 40% | 0.402 | C | S | . | . | trans | -63.1 | 149.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | E60 Y76 L77 E78 | E60-G74 VanDerWaalsContact CD-C 3.5Å; E60-G74 VanDerWaalsContact OE1-C 3.28Å; E60-G74 VanDerWaalsContact OE2-C 3.26Å; E60-G74 VanDerWaalsContact OE2-CA 3.25Å; E60-G74 WeakPolarHBondContact OE2-CA 3.36Å; G74-Y76 VanDerWaalsContact C-N 3.34Å; G74-Y76 PolarHBondContact O-N 3.39Å; G74-L77 PolarHBondContact O-N 2.76Å; G74-L77 VanDerWaalsContact O-N 3.17Å; G74-E78 WeakPolarHBondContact O-CB 3.44Å; G74-E78 PolarHBondContact O-N 3.1Å | ||
| 75 | S | 73.7 | Confident | 63.4 | Low | 33 Ų | 33 | 67.1 Ų | 67.1 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.4 | -40.6 | -178.4 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | E60 T79 | E60-S75 WeakPolarHBondContact OE1-CA 3.17Å; E60-S75 PolarHBondContact OE1-N 2.82Å; E60-S75 PolarHBondContact OE1-OG 3.28Å; S75-T79 WeakPolarHBondContact O-CB 3.28Å; S75-T79 PolarHBondContact O-N 3.2Å; S75-T79 PolarHBondContact O-OG1 2.98Å |
| 76 | Y | 77.4 | Confident | 66 | Low | 31 Ų | 31 | 64.4 Ų | 64.4 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.6 | -42.3 | 175.9 | -52.5 | -53.6 | 0 | 0 | 0 | 110.3 | H15 I16 L19 L56 E60 G74 T79 I80 | H15-Y76 HydrophobicContact CB-CE1 3.91Å; H15-Y76 WeakPolarHBondContact CB-OH 3.42Å; I16-Y76 HydrophobicContact CG1-CD1 4.01Å; I16-Y76 HydrophobicContact CG1-CE1 3.79Å; L19-Y76 HydrophobicContact CD1-CD1 3.97Å; L19-Y76 HydrophobicContact CD1-CG 4.19Å; L56-Y76 HydrophobicContact CB-CD2 4.31Å; L56-Y76 HydrophobicContact CB-CG 4.33Å; L56-Y76 VanDerWaalsContact O-CD2 3.29Å; L56-Y76 WeakPolarHBondContact O-CD2 3.38Å; E60-Y76 HydrophobicContact CB-CD2 4.05Å; E60-Y76 HydrophobicContact CG-CD2 4.01Å; E60-Y76 HydrophobicContact CG-CE2 4.48Å; E60-Y76 VanDerWaalsContact OE1-CD2 3.24Å; E60-Y76 WeakPolarHBondContact OE1-CD2 3.35Å; E60-Y76 PolarHBondContact OE1-N 3.27Å; E60-Y76 PolarHBondContact OE2-N 3.41Å; G74-Y76 VanDerWaalsContact C-N 3.34Å; G74-Y76 PolarHBondContact O-N 3.39Å; Y76-T79 WeakPolarHBondContact O-CB 3.49Å; Y76-T79 PolarHBondContact O-N 3.05Å; Y76-T79 VanDerWaalsContact O-N 3.16Å; Y76-I80 WeakPolarHBondContact O-CG1 3.35Å; Y76-I80 PolarHBondContact O-N 3.15Å |
| 77 | L | 78.1 | Confident | 68.6 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 179.4 | -175.3 | 56.9 | 0 | 0 | 0 | 112.8 | V57 E60 G74 T79 I80 I81 V130 Y133 I136 | V57-L77 HydrophobicContact CG1-CB 4.45Å; V57-L77 HydrophobicContact CG1-CD1 4.31Å; E60-L77 PolarHBondContact OE2-N 2.84Å; E60-L77 VanDerWaalsContact OE2-N 3.16Å; G74-L77 PolarHBondContact O-N 2.76Å; G74-L77 VanDerWaalsContact O-N 3.17Å; L77-T79 PolarHBondContact O-N 2.86Å; L77-I80 PolarHBondContact O-N 3.31Å; L77-I81 HydrophobicContact CD1-CD1 4.22Å; L77-I81 HydrophobicContact CD1-CG1 4.5Å; L77-I81 HydrophobicContact CG-CD1 3.93Å; L77-I81 WeakPolarHBondContact O-CB 3.29Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 2.98Å; L77-V130 HydrophobicContact CD1-CG1 4.1Å; L77-V130 HydrophobicContact CD1-CG2 4.41Å; L77-V130 HydrophobicContact CD2-CG2 4.11Å; L77-Y133 HydrophobicContact CD2-CD2 3.96Å; L77-Y133 HydrophobicContact CD2-CE2 3.51Å; L77-Y133 HydrophobicContact CG-CE2 4.4Å; L77-I136 HydrophobicContact CD1-CD1 3.75Å |
| 78 | E | 78.3 | Confident | 71.2 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.1 | -37 | 173.3 | -162 | -152.1 | -172 | 0 | 0 | 110.5 | E73 G74 I81 K82 | E73-E78 HydrophobicContact CB-CB 3.95Å; E73-E78 HydrophobicContact CB-CG 4.29Å; E73-E78 WeakPolarHBondContact OE2-CA 3.25Å; E73-E78 WeakPolarHBondContact OE2-CG 3.46Å; G74-E78 WeakPolarHBondContact O-CB 3.44Å; G74-E78 PolarHBondContact O-N 3.1Å; E78-I81 PolarHBondContact O-N 3.46Å; E78-K82 HydrophobicContact CG-CD 4.36Å; E78-K82 WeakPolarHBondContact O-CB 3.32Å; E78-K82 VanDerWaalsContact O-CG 3.24Å; E78-K82 WeakPolarHBondContact O-CG 3.36Å; E78-K82 PolarHBondContact O-N 3.3Å; E78-K82 WeakPolarHBondContact OE1-CE 3.37Å; E78-K82 IonicContact OE1-NZ 2.77Å; E78-K82 PolarHBondContact OE1-NZ 3.16Å; E78-K82 IonicContact OE2-NZ 2.76Å; E78-K82 PolarHBondContact OE2-NZ 2.96Å |
| 79 | T | 76.4 | Confident | 73.8 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.9 | -42.5 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | L19 H20 S75 Y76 L77 I81 K82 C83 | L19-T79 HydrophobicContact CD2-CG2 3.69Å; H20-T79 VanDerWaalsContact CE1-CG2 3.44Å; H20-T79 WeakPolarHBondContact CE1-CG2 3.44Å; S75-T79 WeakPolarHBondContact O-CB 3.28Å; S75-T79 PolarHBondContact O-N 3.2Å; S75-T79 PolarHBondContact O-OG1 2.98Å; Y76-T79 WeakPolarHBondContact O-CB 3.49Å; Y76-T79 PolarHBondContact O-N 3.05Å; Y76-T79 VanDerWaalsContact O-N 3.16Å; L77-T79 PolarHBondContact O-N 2.86Å; T79-I81 VanDerWaalsContact C-N 3.32Å; T79-I81 PolarHBondContact O-N 2.98Å; T79-K82 PolarHBondContact O-N 3.01Å; T79-C83 WeakPolarHBondContact O-CB 3.36Å; T79-C83 PolarHBondContact O-N 2.88Å; T79-C83 PolarHBondContact O-SG 3.03Å |
| 80 | I | 82.3 | Confident | 76.2 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 172.4 | -66.9 | -161.8 | 0 | 0 | 0 | 111.2 | L19 I53 V57 Y76 L77 C83 N84 I85 F86 | L19-I80 HydrophobicContact CD1-CG1 4.43Å; I53-I80 HydrophobicContact CG2-CD1 3.45Å; I53-I80 VanDerWaalsContact CG2-CD1 3.45Å; I53-I80 HydrophobicContact CG2-CG1 4.07Å; V57-I80 HydrophobicContact CG2-CD1 3.56Å; V57-I80 HydrophobicContact CG2-CG1 4.25Å; Y76-I80 WeakPolarHBondContact O-CG1 3.35Å; Y76-I80 PolarHBondContact O-N 3.15Å; L77-I80 PolarHBondContact O-N 3.31Å; I80-C83 PolarHBondContact O-N 2.88Å; I80-N84 PolarHBondContact O-N 2.91Å; I80-N84 VanDerWaalsContact O-N 3.14Å; I80-I85 HydrophobicContact CB-CD1 4.31Å; I80-I85 HydrophobicContact CD1-CD1 4.49Å; I80-I85 HydrophobicContact CG1-CD1 3.96Å; I80-I85 HydrophobicContact CG2-CB 4.2Å; I80-I85 HydrophobicContact CG2-CD1 4.25Å; I80-I85 HydrophobicContact CG2-CG1 4.31Å; I80-F86 HydrophobicContact CG2-CD2 4.14Å; I80-F86 HydrophobicContact CG2-CE2 3.85Å |
| 81 | I | 81.7 | Confident | 78.2 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 177.4 | -74 | 166.4 | 0 | 0 | 0 | 110.2 | E73 L77 E78 T79 C83 N84 Y133 P135 I136 | E73-I81 HydrophobicContact CG-CD1 4.44Å; E73-I81 WeakPolarHBondContact OE2-CD1 3.19Å; L77-I81 HydrophobicContact CD1-CD1 4.22Å; L77-I81 HydrophobicContact CD1-CG1 4.5Å; L77-I81 HydrophobicContact CG-CD1 3.93Å; L77-I81 WeakPolarHBondContact O-CB 3.29Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 2.98Å; E78-I81 PolarHBondContact O-N 3.46Å; T79-I81 VanDerWaalsContact C-N 3.32Å; T79-I81 PolarHBondContact O-N 2.98Å; I81-C83 PolarHBondContact O-N 3.47Å; I81-N84 PolarHBondContact O-N 2.8Å; I81-N84 PolarHBondContact O-OD1 2.82Å; I81-Y133 HydrophobicContact CD1-CD1 3.63Å; I81-Y133 HydrophobicContact CD1-CD2 4.07Å; I81-Y133 HydrophobicContact CD1-CE1 4.25Å; I81-Y133 HydrophobicContact CD1-CG 3.52Å; I81-P135 HydrophobicContact CG2-CG 4.25Å; I81-I136 HydrophobicContact CG1-CD1 4.41Å |
| 82 | K | 82.9 | Confident | 79.8 | Confident | 139 Ų | 139 | 38.1 Ų | 38.1 | 60% | 0.604 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -60.3 | -30.1 | 175.1 | -75.5 | 166.2 | 179.5 | 169.9 | 0 | 113.5 | E78 T79 | E78-K82 HydrophobicContact CG-CD 4.36Å; E78-K82 WeakPolarHBondContact O-CB 3.32Å; E78-K82 VanDerWaalsContact O-CG 3.24Å; E78-K82 WeakPolarHBondContact O-CG 3.36Å; E78-K82 PolarHBondContact O-N 3.3Å; E78-K82 WeakPolarHBondContact OE1-CE 3.37Å; E78-K82 IonicContact OE1-NZ 2.77Å; E78-K82 PolarHBondContact OE1-NZ 3.16Å; E78-K82 IonicContact OE2-NZ 2.76Å; E78-K82 PolarHBondContact OE2-NZ 2.96Å; T79-K82 PolarHBondContact O-N 3.01Å |
| 83 | C | 81.4 | Confident | 81.3 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -89.5 | -5.7 | -179 | -75.4 | 0 | 0 | 0 | 0 | 115 | T79 I80 I81 I85 L88 | T79-C83 WeakPolarHBondContact O-CB 3.36Å; T79-C83 PolarHBondContact O-N 2.88Å; T79-C83 PolarHBondContact O-SG 3.03Å; I80-C83 PolarHBondContact O-N 2.88Å; I81-C83 PolarHBondContact O-N 3.47Å; C83-I85 HydrophobicContact CB-CD1 4.23Å; C83-I85 HydrophobicContact CB-CG1 3.67Å; C83-I85 PolarHBondContact O-N 3.03Å; C83-I85 VanDerWaalsContact O-N 3.13Å; C83-L88 WeakPolarHBondContact O-CD1 3.43Å |
| 84 | N | 84.6 | Confident | 82.3 | Confident | 56 Ų | 56 | 34.3 Ų | 34.3 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 38.5 | -174.8 | -83.5 | 24.6 | 0 | 0 | 0 | 113.8 | I80 I81 F86 E87 L88 | I80-N84 PolarHBondContact O-N 2.91Å; I80-N84 VanDerWaalsContact O-N 3.14Å; I81-N84 PolarHBondContact O-N 2.8Å; I81-N84 PolarHBondContact O-OD1 2.82Å; N84-F86 VanDerWaalsContact C-N 3.34Å; N84-F86 PolarHBondContact O-N 3.47Å; N84-E87 HydrophobicContact CB-CB 4.34Å; N84-E87 PolarHBondContact ND2-OE2 3.1Å; N84-E87 PolarHBondContact O-N 2.9Å; N84-E87 VanDerWaalsContact O-N 3.09Å; N84-L88 PolarHBondContact O-N 3.36Å |
| 85 | I | 88.2 | Confident | 82.5 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.5 | -48 | -170 | -64 | -171.4 | 0 | 0 | 0 | 112.3 | W23 I53 I80 C83 E87 L88 L89 | W23-I85 HydrophobicContact CD2-CD1 3.88Å; W23-I85 HydrophobicContact CD2-CG1 3.93Å; W23-I85 HydrophobicContact CE3-CD1 4.04Å; W23-I85 HydrophobicContact CE3-CG1 4.11Å; W23-I85 HydrophobicContact CE3-CG2 4.06Å; W23-I85 HydrophobicContact CG-CD1 4.11Å; W23-I85 HydrophobicContact CG-CG1 4.5Å; W23-I85 HydrophobicContact CH2-CB 4.26Å; W23-I85 HydrophobicContact CH2-CG1 4.22Å; W23-I85 HydrophobicContact CH2-CG2 4.01Å; W23-I85 HydrophobicContact CZ2-CB 4.45Å; W23-I85 HydrophobicContact CZ2-CG1 3.99Å; W23-I85 HydrophobicContact CZ3-CB 4.35Å; W23-I85 HydrophobicContact CZ3-CG1 4.27Å; W23-I85 HydrophobicContact CZ3-CG2 3.69Å; I53-I85 HydrophobicContact CG2-CD1 4.25Å; I80-I85 HydrophobicContact CB-CD1 4.31Å; I80-I85 HydrophobicContact CD1-CD1 4.49Å; I80-I85 HydrophobicContact CG1-CD1 3.96Å; I80-I85 HydrophobicContact CG2-CB 4.2Å; I80-I85 HydrophobicContact CG2-CD1 4.25Å; I80-I85 HydrophobicContact CG2-CG1 4.31Å; C83-I85 HydrophobicContact CB-CD1 4.23Å; C83-I85 HydrophobicContact CB-CG1 3.67Å; C83-I85 PolarHBondContact O-N 3.03Å; C83-I85 VanDerWaalsContact O-N 3.13Å; I85-E87 PolarHBondContact O-N 3.2Å; I85-L88 PolarHBondContact O-N 3.14Å; I85-L89 HydrophobicContact CG2-CD1 3.78Å; I85-L89 HydrophobicContact CG2-CG 4.39Å; I85-L89 WeakPolarHBondContact O-CB 3.49Å; I85-L89 VanDerWaalsContact O-CG 3.32Å; I85-L89 WeakPolarHBondContact O-CG 3.44Å; I85-L89 PolarHBondContact O-N 3.37Å |
| 86 | F | 89.3 | Confident | 81.7 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.2 | -32 | -177.7 | -68.5 | -73.9 | 0 | 0 | 0 | 113.9 | I54 I80 N84 L90 L115 T118 F119 L122 I136 P139 | I54-F86 HydrophobicContact CD1-CZ 4.3Å; I80-F86 HydrophobicContact CG2-CD2 4.14Å; I80-F86 HydrophobicContact CG2-CE2 3.85Å; N84-F86 VanDerWaalsContact C-N 3.34Å; N84-F86 PolarHBondContact O-N 3.47Å; F86-L90 VanDerWaalsContact O-CB 3.23Å; F86-L90 WeakPolarHBondContact O-CB 3.47Å; F86-L90 PolarHBondContact O-N 3.38Å; F86-L115 HydrophobicContact CD1-CD1 4.41Å; F86-T118 HydrophobicContact CE1-CG2 3.94Å; F86-F119 HydrophobicContact CB-CE1 4.18Å; F86-F119 HydrophobicContact CB-CZ 4.05Å; F86-F119 HydrophobicContact CD1-CD1 4.1Å; F86-F119 AromaticContact CD1-CE1 3.49Å; F86-F119 HydrophobicContact CD1-CE1 3.49Å; F86-F119 VanDerWaalsContact CD1-CE1 3.49Å; F86-F119 HydrophobicContact CD1-CE2 4.45Å; F86-F119 AromaticContact CD1-CZ 3.7Å; F86-F119 HydrophobicContact CD1-CZ 3.7Å; F86-F119 HydrophobicContact CE1-CD1 4.2Å; F86-F119 HydrophobicContact CE1-CE1 4.03Å; F86-F119 AromaticContact CG-CE1 3.83Å; F86-F119 HydrophobicContact CG-CE1 3.83Å; F86-F119 HydrophobicContact CG-CZ 4.1Å; F86-L122 HydrophobicContact CE1-CD2 4.43Å; F86-L122 HydrophobicContact CE2-CD2 3.79Å; F86-L122 HydrophobicContact CZ-CD2 3.63Å; F86-I136 HydrophobicContact CD2-CG1 4.13Å; F86-I136 HydrophobicContact CD2-CG2 4.28Å; F86-P139 HydrophobicContact CB-CB 4.47Å; F86-P139 HydrophobicContact CB-CG 3.88Å |
| 87 | E | 87.6 | Confident | 80.4 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.4 | -42.2 | 175.2 | -172 | 172.8 | -126.3 | 0 | 0 | 110.7 | N84 I85 L90 I91 Q138 | N84-E87 HydrophobicContact CB-CB 4.34Å; N84-E87 PolarHBondContact ND2-OE2 3.1Å; N84-E87 PolarHBondContact O-N 2.9Å; N84-E87 VanDerWaalsContact O-N 3.09Å; I85-E87 PolarHBondContact O-N 3.2Å; E87-L90 PolarHBondContact O-N 3.3Å; E87-I91 HydrophobicContact CG-CD1 4.15Å; E87-I91 WeakPolarHBondContact O-CB 3.46Å; E87-I91 VanDerWaalsContact O-CG1 3.24Å; E87-I91 WeakPolarHBondContact O-CG1 3.47Å; E87-I91 PolarHBondContact O-N 3.28Å; E87-Q138 PolarHBondContact OE1-NE2 3.44Å |
| 88 | L | 87.3 | Confident | 79.2 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 36% | 0.361 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 176.1 | -70.6 | 170.4 | 0 | 0 | 0 | 112.6 | W23 C83 N84 I85 I91 W92 | W23-L88 HydrophobicContact CH2-CB 4.26Å; W23-L88 HydrophobicContact CH2-CD1 4.45Å; W23-L88 HydrophobicContact CZ2-CB 4.46Å; W23-L88 HydrophobicContact CZ2-CD1 3.83Å; C83-L88 WeakPolarHBondContact O-CD1 3.43Å; N84-L88 PolarHBondContact O-N 3.36Å; I85-L88 PolarHBondContact O-N 3.14Å; L88-I91 PolarHBondContact O-N 2.97Å; L88-W92 WeakPolarHBondContact O-CB 3.5Å; L88-W92 PolarHBondContact O-N 2.85Å |
| 89 | L | 87 | Confident | 77.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 172 | -73.7 | 170.2 | 0 | 0 | 0 | 111.7 | I30 V46 V50 I85 I91 W92 I93 | I30-L89 HydrophobicContact CD1-CD2 3.95Å; V46-L89 HydrophobicContact CG1-CD2 4.33Å; V50-L89 HydrophobicContact CG1-CD1 4.04Å; V50-L89 HydrophobicContact CG2-CD1 3.9Å; V50-L89 HydrophobicContact CG2-CD2 4.2Å; I85-L89 HydrophobicContact CG2-CD1 3.78Å; I85-L89 HydrophobicContact CG2-CG 4.39Å; I85-L89 WeakPolarHBondContact O-CB 3.49Å; I85-L89 VanDerWaalsContact O-CG 3.32Å; I85-L89 WeakPolarHBondContact O-CG 3.44Å; I85-L89 PolarHBondContact O-N 3.37Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 PolarHBondContact O-N 2.95Å; L89-W92 HydrophobicContact CD2-CE3 4.43Å; L89-W92 PolarHBondContact O-N 3.12Å; L89-I93 WeakPolarHBondContact O-CB 3.34Å; L89-I93 WeakPolarHBondContact O-CD1 3.22Å; L89-I93 VanDerWaalsContact O-CG1 3.22Å; L89-I93 WeakPolarHBondContact O-CG1 3.49Å; L89-I93 PolarHBondContact O-N 2.92Å |
| 90 | L | 88.2 | Confident | 77.1 | Confident | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 177.2 | 178.6 | 60.1 | 0 | 0 | 0 | 111.9 | F86 E87 E94 L115 P139 Q142 F143 | F86-L90 VanDerWaalsContact O-CB 3.23Å; F86-L90 WeakPolarHBondContact O-CB 3.47Å; F86-L90 PolarHBondContact O-N 3.38Å; E87-L90 PolarHBondContact O-N 3.3Å; L90-E94 HydrophobicContact CD1-CG 4.35Å; L90-E94 PolarHBondContact O-N 2.61Å; L90-L115 HydrophobicContact CD1-CD2 4.28Å; L90-P139 HydrophobicContact CD2-CB 3.7Å; L90-P139 WeakPolarHBondContact CD2-O 3.36Å; L90-Q142 HydrophobicContact CD2-CB 4.33Å; L90-F143 HydrophobicContact CD1-CB 3.89Å; L90-F143 HydrophobicContact CD1-CD2 3.54Å; L90-F143 HydrophobicContact CD1-CE2 4.34Å; L90-F143 HydrophobicContact CD1-CG 3.98Å; L90-F143 HydrophobicContact CD2-CB 4.36Å |
| 91 | I | 86.2 | Confident | 76.3 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -53.2 | 172.7 | -71 | 164.3 | 0 | 0 | 0 | 109.7 | E87 L88 L89 I93 E94 A95 | E87-I91 HydrophobicContact CG-CD1 4.15Å; E87-I91 WeakPolarHBondContact O-CB 3.46Å; E87-I91 VanDerWaalsContact O-CG1 3.24Å; E87-I91 WeakPolarHBondContact O-CG1 3.47Å; E87-I91 PolarHBondContact O-N 3.28Å; L88-I91 PolarHBondContact O-N 2.97Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 PolarHBondContact O-N 2.95Å; I91-I93 VanDerWaalsContact C-N 3.31Å; I91-I93 PolarHBondContact O-N 3.39Å; I91-E94 CarbonylContact O-C 3.49Å; I91-E94 PolarHBondContact O-N 2.91Å; I91-E94 VanDerWaalsContact O-N 3.13Å; I91-A95 HydrophobicContact CG2-CB 4.44Å; I91-A95 WeakPolarHBondContact O-CA 3.28Å; I91-A95 WeakPolarHBondContact O-CB 3.42Å; I91-A95 PolarHBondContact O-N 2.96Å |
| 92 | W | 85.1 | Confident | 75.9 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.2 | -43.5 | -178.7 | 177.1 | 59.8 | 0 | 0 | 0 | 113.1 | I30 H38 I43 V46 F47 L88 L89 E94 L111 | I30-W92 HydrophobicContact CB-CG 4.5Å; I30-W92 HydrophobicContact CD1-CD2 4.49Å; I30-W92 HydrophobicContact CD1-CE3 4.48Å; I30-W92 HydrophobicContact CG1-CD2 3.85Å; I30-W92 HydrophobicContact CG1-CE3 4.19Å; I30-W92 HydrophobicContact CG1-CG 4.08Å; I30-W92 HydrophobicContact CG2-CB 4.15Å; I30-W92 HydrophobicContact CG2-CG 3.9Å; H38-W92 AromaticContact CE1-NE1 3.81Å; H38-W92 AromaticContact NE2-NE1 3.75Å; I43-W92 HydrophobicContact CG1-CH2 4.45Å; V46-W92 HydrophobicContact CB-CH2 4.23Å; V46-W92 HydrophobicContact CB-CZ3 4.4Å; V46-W92 HydrophobicContact CG1-CH2 4.2Å; V46-W92 HydrophobicContact CG1-CZ3 3.9Å; V46-W92 HydrophobicContact CG2-CH2 4.16Å; F47-W92 HydrophobicContact CE2-CZ3 4.36Å; L88-W92 WeakPolarHBondContact O-CB 3.5Å; L88-W92 PolarHBondContact O-N 2.85Å; L89-W92 HydrophobicContact CD2-CE3 4.43Å; L89-W92 PolarHBondContact O-N 3.12Å; W92-E94 VanDerWaalsContact C-N 3.29Å; W92-E94 PolarHBondContact O-N 3.46Å; W92-L111 HydrophobicContact CE3-CD2 4.28Å; W92-L111 HydrophobicContact CH2-CD2 3.74Å; W92-L111 HydrophobicContact CZ3-CD2 3.57Å |
| 93 | I | 84.2 | Confident | 75.5 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.5 | -28.3 | -178.2 | -68.8 | 164.8 | 0 | 0 | 0 | 112.8 | F47 L89 I91 L111 R112 L115 | F47-I93 HydrophobicContact CZ-CD1 4.05Å; L89-I93 WeakPolarHBondContact O-CB 3.34Å; L89-I93 WeakPolarHBondContact O-CD1 3.22Å; L89-I93 VanDerWaalsContact O-CG1 3.22Å; L89-I93 WeakPolarHBondContact O-CG1 3.49Å; L89-I93 PolarHBondContact O-N 2.92Å; I91-I93 VanDerWaalsContact C-N 3.31Å; I91-I93 PolarHBondContact O-N 3.39Å; I93-L111 HydrophobicContact CG1-CB 4.14Å; I93-L111 HydrophobicContact CG1-CD2 4.16Å; I93-L111 HydrophobicContact CG2-CB 3.96Å; I93-R112 HydrophobicContact CG2-CG 4.23Å; I93-L115 HydrophobicContact CD1-CB 3.82Å; I93-L115 HydrophobicContact CD1-CD2 3.74Å; I93-L115 HydrophobicContact CD1-CG 4.26Å |
| 94 | E | 82.5 | Confident | 75.2 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -113.3 | -3.9 | -174.6 | -64.5 | -70.3 | 144.2 | 0 | 0 | 114.2 | L90 I91 W92 N96 R112 K146 | L90-E94 HydrophobicContact CD1-CG 4.35Å; L90-E94 PolarHBondContact O-N 2.61Å; I91-E94 CarbonylContact O-C 3.49Å; I91-E94 PolarHBondContact O-N 2.91Å; I91-E94 VanDerWaalsContact O-N 3.13Å; W92-E94 VanDerWaalsContact C-N 3.29Å; W92-E94 PolarHBondContact O-N 3.46Å; E94-N96 PolarHBondContact O-N 2.89Å; E94-R112 VanDerWaalsContact CD-NH2 3.34Å; E94-R112 IonicContact OE1-CZ 3.03Å; E94-R112 IonicContact OE1-NE 2.86Å; E94-R112 PolarHBondContact OE1-NE 3.43Å; E94-R112 IonicContact OE1-NH2 2.64Å; E94-R112 PolarHBondContact OE1-NH2 2.69Å; E94-R112 IonicContact OE2-NH2 3.39Å; E94-R112 PolarHBondContact OE2-NH2 3.22Å; E94-R112 VanDerWaalsContact OE2-NH2 3.15Å; E94-K146 HydrophobicContact CG-CD 4.26Å; E94-K146 WeakPolarHBondContact OE2-CE 3.34Å; E94-K146 IonicContact OE2-NZ 2.8Å; E94-K146 PolarHBondContact OE2-NZ 3.31Å |
| 95 | A | 69.9 | Low | 74.9 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 52% | 0.521 | 34% | 0.344 | S | S | . | . | trans | -73.8 | -7.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | I91 P97 | I91-A95 HydrophobicContact CG2-CB 4.44Å; I91-A95 WeakPolarHBondContact O-CA 3.28Å; I91-A95 WeakPolarHBondContact O-CB 3.42Å; I91-A95 PolarHBondContact O-N 2.96Å; A95-P97 WeakPolarHBondContact O-CD 3.27Å | ||
| 96 | N | 57.7 | Low | 74.6 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | trans | -100.4 | 97 | -177.9 | -87.5 | -45.9 | 0 | 0 | 0 | 111.9 | H38 E94 T98 | H38-N96 PolarHBondContact NE2-ND2 2.86Å; E94-N96 PolarHBondContact O-N 2.89Å; N96-T98 HydrophobicContact CB-CG2 4.04Å; N96-T98 PolarHBondContact O-N 2.71Å | ||
| 97 | P | 50.3 | Low | 74.2 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 85% | 0.851 | 37% | 0.371 | S | S | * | . | trans | -77.4 | 58.1 | 167.7 | 35.1 | -37.4 | 0 | 0 | 0 | 110.6 | A95 | A95-P97 WeakPolarHBondContact O-CD 3.27Š| ||
| 98 | T | 52.7 | Low | 74 | Confident | 47 Ų | 47 | 68.7 Ų | 68.7 | 29% | 0.288 | 37% | 0.37 | S | S | . | . | trans | -70.8 | 153.9 | -176.9 | 38.8 | 0 | 0 | 0 | 0 | 112.4 | G36 N96 | G36-T98 WeakPolarHBondContact O-CG2 3.41Å; N96-T98 HydrophobicContact CB-CG2 4.04Å; N96-T98 PolarHBondContact O-N 2.71Å | ||
| 99 | P | 50.9 | Low | 73.9 | Confident | 84 Ų | 84 | 65.8 Ų | 65.8 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | trans | -62.2 | 165.7 | -177.5 | 25.2 | -35.6 | 0 | 0 | 0 | 113.2 | D101 S104 | P99-D101 WeakPolarHBondContact CG-OD2 3.38Å; P99-D101 PolarHBondContact O-N 3.18Å; P99-S104 PolarHBondContact O-OG 3.41Å | ||
| 100 | K | 58.8 | Low | 74 | Confident | 200 Ų | 200 | 67.6 Ų | 67.6 | 87% | 0.87 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -69.4 | 28.3 | -175.2 | -60 | -174.9 | 177.8 | -177.2 | 0 | 114.8 | ||
| 101 | D | 65.9 | Low | 74 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | trans | -82.4 | 126.5 | 178.7 | -56.4 | -39.7 | 0 | 0 | 0 | 109.2 | P99 K103 S104 | P99-D101 WeakPolarHBondContact CG-OD2 3.38Å; P99-D101 PolarHBondContact O-N 3.18Å; D101-K103 PolarHBondContact O-N 3.44Å; D101-S104 PolarHBondContact O-N 2.8Å; D101-S104 PolarHBondContact O-OG 2.93Å | ||
| 102 | D | 73.5 | Confident | 74.3 | Confident | 134 Ų | 134 | 62.4 Ų | 62.4 | 72% | 0.717 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -51.1 | -29.5 | -173.4 | -69.3 | -54.1 | 0 | 0 | 0 | 114.1 | I105 C106 | D102-I105 PolarHBondContact O-N 3.46Å; D102-C106 WeakPolarHBondContact O-CB 3.31Å; D102-C106 PolarHBondContact O-N 3.09Å |
| 103 | K | 75 | Confident | 74.6 | Confident | 156 Ų | 156 | 66 Ų | 66 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | 178.8 | -151.2 | 176.8 | -172.4 | -176.4 | 0 | 112.6 | D101 C106 T107 | D101-K103 PolarHBondContact O-N 3.44Å; K103-C106 PolarHBondContact O-N 3.13Å; K103-T107 PolarHBondContact O-N 3.03Å; K103-T107 PolarHBondContact O-OG1 3.22Å; K103-T107 VanDerWaalsContact O-OG1 3.07Å |
| 104 | S | 73.5 | Confident | 74.9 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 178.1 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | P99 D101 T107 R108 | P99-S104 PolarHBondContact O-OG 3.41Å; D101-S104 PolarHBondContact O-N 2.8Å; D101-S104 PolarHBondContact O-OG 2.93Å; S104-T107 PolarHBondContact O-N 3.09Å; S104-R108 PolarHBondContact O-N 3.02Å |
| 105 | I | 78.5 | Confident | 75.4 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 23% | 0.226 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 178 | -45.9 | 177.5 | 0 | 0 | 0 | 110.1 | D102 R108 D109 | D102-I105 PolarHBondContact O-N 3.46Å; I105-R108 PolarHBondContact O-N 3.47Å; I105-D109 PolarHBondContact O-N 2.97Å |
| 106 | C | 82 | Confident | 76.5 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 49% | 0.493 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 176.1 | -164.5 | 0 | 0 | 0 | 0 | 112.1 | D102 K103 R108 D109 V110 | D102-C106 WeakPolarHBondContact O-CB 3.31Å; D102-C106 PolarHBondContact O-N 3.09Å; K103-C106 PolarHBondContact O-N 3.13Å; C106-R108 VanDerWaalsContact C-N 3.31Å; C106-R108 PolarHBondContact O-N 3.09Å; C106-D109 WeakPolarHBondContact O-CB 3.44Å; C106-D109 PolarHBondContact O-N 3.3Å; C106-D109 VanDerWaalsContact O-N 3.16Å; C106-V110 WeakPolarHBondContact O-CG2 3.29Å; C106-V110 PolarHBondContact O-N 3.46Å |
| 107 | T | 80.6 | Confident | 78.1 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 10% | 0.104 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | H38 I43 K103 S104 V110 L111 | H38-T107 HydrophobicContact CB-CG2 4.24Å; I43-T107 HydrophobicContact CD1-CG2 3.45Å; I43-T107 VanDerWaalsContact CD1-CG2 3.45Å; K103-T107 PolarHBondContact O-N 3.03Å; K103-T107 PolarHBondContact O-OG1 3.22Å; K103-T107 VanDerWaalsContact O-OG1 3.07Å; S104-T107 PolarHBondContact O-N 3.09Å; T107-V110 PolarHBondContact O-N 3.12Å; T107-L111 PolarHBondContact O-N 3.41Å |
| 108 | R | 83.4 | Confident | 80 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.8 | -35 | 176 | -167 | -172.4 | 63.8 | 145 | 6.7 | 112.8 | S104 I105 C106 V110 L111 R112 Q150 | S104-R108 PolarHBondContact O-N 3.02Å; I105-R108 PolarHBondContact O-N 3.47Å; C106-R108 VanDerWaalsContact C-N 3.31Å; C106-R108 PolarHBondContact O-N 3.09Å; R108-V110 VanDerWaalsContact C-N 3.33Å; R108-L111 PolarHBondContact O-N 2.93Å; R108-R112 WeakPolarHBondContact O-CB 3.26Å; R108-R112 VanDerWaalsContact O-CG 3.29Å; R108-R112 WeakPolarHBondContact O-CG 3.13Å; R108-R112 PolarHBondContact O-N 3.28Å; R108-Q150 VanDerWaalsContact NH1-OE1 3.08Å |
| 109 | D | 86.5 | Confident | 82 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 173.5 | -78.6 | 6.4 | 0 | 0 | 0 | 112 | I105 C106 R113 R152 S154 Y155 | I105-D109 PolarHBondContact O-N 2.97Å; C106-D109 WeakPolarHBondContact O-CB 3.44Å; C106-D109 PolarHBondContact O-N 3.3Å; C106-D109 VanDerWaalsContact O-N 3.16Å; D109-R113 PolarHBondContact O-N 3.37Å; D109-R152 IonicContact OD1-NE 3.21Å; D109-R152 IonicContact OD1-NH2 2.92Å; D109-R152 IonicContact OD2-CZ 2.77Å; D109-R152 IonicContact OD2-NE 2.72Å; D109-R152 PolarHBondContact OD2-NE 3.4Å; D109-R152 IonicContact OD2-NH2 3.63Å; D109-R152 PolarHBondContact OD2-NH2 3.17Å; D109-S154 PolarHBondContact OD2-OG 3.2Å; D109-Y155 HydrophobicContact CB-CD1 4.26Å; D109-Y155 HydrophobicContact CB-CE1 3.95Å; D109-Y155 WeakPolarHBondContact OD1-CE1 3.46Å |
| 110 | V | 88.1 | Confident | 83.9 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | I43 C106 T107 R108 R113 H114 | I43-V110 HydrophobicContact CG2-CG1 4.42Å; C106-V110 WeakPolarHBondContact O-CG2 3.29Å; C106-V110 PolarHBondContact O-N 3.46Å; T107-V110 PolarHBondContact O-N 3.12Å; R108-V110 VanDerWaalsContact C-N 3.33Å; V110-R113 PolarHBondContact O-N 2.64Å; V110-H114 PolarHBondContact O-N 3.5Å; V110-H114 VanDerWaalsContact O-N 3.13Å; V110-H114 PolarHBondContact O-ND1 3.02Å |
| 111 | L | 89.2 | Confident | 85.2 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 172 | -77.9 | 169.7 | 0 | 0 | 0 | 111.8 | I43 F47 W92 I93 T107 R108 H114 L115 | I43-L111 HydrophobicContact CB-CD2 4.34Å; I43-L111 HydrophobicContact CD1-CD1 4.46Å; I43-L111 HydrophobicContact CD1-CD2 3.99Å; I43-L111 HydrophobicContact CD1-CG 3.91Å; I43-L111 HydrophobicContact CG1-CD2 3.79Å; I43-L111 HydrophobicContact CG1-CG 4.28Å; I43-L111 HydrophobicContact CG2-CD2 3.73Å; I43-L111 HydrophobicContact CG2-CG 4.4Å; F47-L111 HydrophobicContact CE2-CD2 4.08Å; W92-L111 HydrophobicContact CE3-CD2 4.28Å; W92-L111 HydrophobicContact CH2-CD2 3.74Å; W92-L111 HydrophobicContact CZ3-CD2 3.57Å; I93-L111 HydrophobicContact CG1-CB 4.14Å; I93-L111 HydrophobicContact CG1-CD2 4.16Å; I93-L111 HydrophobicContact CG2-CB 3.96Å; T107-L111 PolarHBondContact O-N 3.41Å; R108-L111 PolarHBondContact O-N 2.93Å; L111-H114 PolarHBondContact O-N 3.26Å; L111-L115 PolarHBondContact O-N 3.41Å |
| 112 | R | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 178.5 | -76 | 174.6 | 168 | -164.3 | -2 | 112.3 | I93 E94 R108 H114 L115 I116 F143 L147 Y155 | I93-R112 HydrophobicContact CG2-CG 4.23Å; E94-R112 VanDerWaalsContact CD-NH2 3.34Å; E94-R112 IonicContact OE1-CZ 3.03Å; E94-R112 IonicContact OE1-NE 2.86Å; E94-R112 PolarHBondContact OE1-NE 3.43Å; E94-R112 IonicContact OE1-NH2 2.64Å; E94-R112 PolarHBondContact OE1-NH2 2.69Å; E94-R112 IonicContact OE2-NH2 3.39Å; E94-R112 PolarHBondContact OE2-NH2 3.22Å; E94-R112 VanDerWaalsContact OE2-NH2 3.15Å; R108-R112 WeakPolarHBondContact O-CB 3.26Å; R108-R112 VanDerWaalsContact O-CG 3.29Å; R108-R112 WeakPolarHBondContact O-CG 3.13Å; R108-R112 PolarHBondContact O-N 3.28Å; R112-H114 VanDerWaalsContact C-N 3.33Å; R112-H114 PolarHBondContact O-N 3.31Å; R112-L115 PolarHBondContact O-N 3.32Å; R112-I116 WeakPolarHBondContact O-CD1 3.26Å; R112-I116 VanDerWaalsContact O-CG1 3.24Å; R112-I116 WeakPolarHBondContact O-CG1 3.45Å; R112-I116 PolarHBondContact O-N 2.95Å; R112-F143 HydrophobicContact CB-CZ 4.36Å; R112-F143 HydrophobicContact CG-CE2 4.14Å; R112-F143 HydrophobicContact CG-CZ 4.32Å; R112-L147 HydrophobicContact CB-CD2 4.41Å; R112-L147 HydrophobicContact CG-CD2 4.15Å; R112-Y155 HydrophobicContact CB-CD1 4.17Å; R112-Y155 HydrophobicContact CB-CE1 4.01Å; R112-Y155 PolarHBondContact NH1-OH 3.35Å |
| 113 | R | 90.8 | Very high | 87.1 | Confident | 93 Ų | 93 | 34.9 Ų | 34.9 | 35% | 0.351 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -52.8 | -52.9 | 173.5 | -177.9 | -166.2 | -59.5 | -65.7 | -0.8 | 110.6 | D109 V110 L115 I116 T117 S154 I158 | D109-R113 PolarHBondContact O-N 3.37Å; V110-R113 PolarHBondContact O-N 2.64Å; R113-L115 PolarHBondContact O-N 3.38Å; R113-I116 PolarHBondContact O-N 2.84Å; R113-T117 PolarHBondContact O-N 3.26Å; R113-S154 PolarHBondContact NH1-O 3.04Å; R113-S154 PolarHBondContact NH2-O 3.43Å; R113-I158 HydrophobicContact CG-CD1 4.08Å |
| 114 | H | 90.5 | Very high | 87.6 | Confident | 56 Ų | 56 | 31.4 Ų | 31.4 | 26% | 0.259 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.9 | -45.9 | -177.9 | -78.1 | 104.4 | 0 | 0 | 0 | 112 | D44 F47 V110 L111 R112 I116 T117 T118 | D44-H114 IonicContact OD1-CE1 2.72Å; F47-H114 HydrophobicContact CB-CB 4.4Å; F47-H114 HydrophobicContact CD1-CB 3.68Å; F47-H114 HydrophobicContact CD2-CB 3.5Å; F47-H114 AromaticContact CD2-CG 3.86Å; F47-H114 HydrophobicContact CE1-CB 3.69Å; F47-H114 HydrophobicContact CE2-CB 3.51Å; F47-H114 HydrophobicContact CG-CB 3.58Å; F47-H114 AromaticContact CG-CG 3.93Å; F47-H114 HydrophobicContact CZ-CB 3.6Å; V110-H114 PolarHBondContact O-N 3.5Å; V110-H114 VanDerWaalsContact O-N 3.13Å; V110-H114 PolarHBondContact O-ND1 3.02Å; L111-H114 PolarHBondContact O-N 3.26Å; R112-H114 VanDerWaalsContact C-N 3.33Å; R112-H114 PolarHBondContact O-N 3.31Å; H114-I116 VanDerWaalsContact C-N 3.34Å; H114-I116 PolarHBondContact O-N 3.27Å; H114-T117 PolarHBondContact O-N 2.95Å; H114-T118 VanDerWaalsContact O-CB 3.25Å; H114-T118 WeakPolarHBondContact O-CB 3.4Å; H114-T118 PolarHBondContact O-N 3.43Å; H114-T118 PolarHBondContact O-OG1 2.96Å |
| 115 | L | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -35.7 | 178.1 | -176.3 | 61.4 | 0 | 0 | 0 | 112.9 | F47 F86 L90 I93 L111 R112 R113 T118 F119 F143 | F47-L115 HydrophobicContact CE1-CB 4.47Å; F47-L115 HydrophobicContact CZ-CB 4.22Å; F86-L115 HydrophobicContact CD1-CD1 4.41Å; L90-L115 HydrophobicContact CD1-CD2 4.28Å; I93-L115 HydrophobicContact CD1-CB 3.82Å; I93-L115 HydrophobicContact CD1-CD2 3.74Å; I93-L115 HydrophobicContact CD1-CG 4.26Å; L111-L115 PolarHBondContact O-N 3.41Å; R112-L115 PolarHBondContact O-N 3.32Å; R113-L115 PolarHBondContact O-N 3.38Å; L115-T118 WeakPolarHBondContact O-CB 3.17Å; L115-T118 PolarHBondContact O-N 3.16Å; L115-F119 HydrophobicContact CD1-CD2 3.95Å; L115-F119 HydrophobicContact CD1-CE2 3.68Å; L115-F119 HydrophobicContact CD1-CZ 4.39Å; L115-F119 HydrophobicContact CD2-CE2 4.06Å; L115-F119 HydrophobicContact CG-CD2 3.91Å; L115-F119 HydrophobicContact CG-CE2 3.73Å; L115-F119 VanDerWaalsContact O-CD2 3.3Å; L115-F119 WeakPolarHBondContact O-CD2 3.29Å; L115-F119 PolarHBondContact O-N 3.25Å; L115-F143 HydrophobicContact CB-CE1 3.92Å; L115-F143 HydrophobicContact CB-CZ 3.89Å; L115-F143 HydrophobicContact CD2-CD1 3.88Å; L115-F143 HydrophobicContact CD2-CD2 4.14Å; L115-F143 HydrophobicContact CD2-CE1 3.65Å; L115-F143 HydrophobicContact CD2-CE2 3.94Å; L115-F143 HydrophobicContact CD2-CG 4.12Å; L115-F143 HydrophobicContact CD2-CZ 3.69Å; L115-F143 HydrophobicContact CG-CD1 4.12Å; L115-F143 HydrophobicContact CG-CE1 3.63Å; L115-F143 HydrophobicContact CG-CZ 3.95Å |
| 116 | I | 93.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -53.8 | 173.6 | -65.7 | 161.8 | 0 | 0 | 0 | 109.9 | R112 R113 H114 T118 F119 E120 F143 L147 Y155 I158 L162 | R112-I116 WeakPolarHBondContact O-CD1 3.26Å; R112-I116 VanDerWaalsContact O-CG1 3.24Å; R112-I116 WeakPolarHBondContact O-CG1 3.45Å; R112-I116 PolarHBondContact O-N 2.95Å; R113-I116 PolarHBondContact O-N 2.84Å; H114-I116 VanDerWaalsContact C-N 3.34Å; H114-I116 PolarHBondContact O-N 3.27Å; I116-T118 PolarHBondContact O-N 3.4Å; I116-F119 PolarHBondContact O-N 2.98Å; I116-F119 VanDerWaalsContact O-N 3.16Å; I116-E120 WeakPolarHBondContact O-CB 3.48Å; I116-E120 PolarHBondContact O-N 2.75Å; I116-F143 HydrophobicContact CG1-CE1 3.66Å; I116-F143 HydrophobicContact CG1-CZ 4.02Å; I116-L147 HydrophobicContact CD1-CD1 3.76Å; I116-L147 HydrophobicContact CG1-CD1 3.82Å; I116-Y155 HydrophobicContact CD1-CD2 3.94Å; I116-Y155 HydrophobicContact CD1-CG 4.02Å; I116-I158 HydrophobicContact CG2-CB 4.05Å; I116-I158 HydrophobicContact CG2-CG2 3.57Å; I116-L162 HydrophobicContact CB-CD2 4.37Å; I116-L162 HydrophobicContact CG2-CB 4.1Å; I116-L162 HydrophobicContact CG2-CD2 3.78Å |
| 117 | T | 92.3 | Very high | 88 | Confident | 39 Ų | 39 | 35.2 Ų | 35.2 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -28 | 179.5 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | R113 H114 E120 Q121 | R113-T117 PolarHBondContact O-N 3.26Å; H114-T117 PolarHBondContact O-N 2.95Å; T117-E120 WeakPolarHBondContact CA-OE2 3.11Å; T117-E120 PolarHBondContact O-N 3.37Å; T117-E120 PolarHBondContact OG1-OE2 3.35Å; T117-Q121 HydrophobicContact CG2-CG 4.47Å; T117-Q121 WeakPolarHBondContact O-CB 3.35Å; T117-Q121 VanDerWaalsContact O-CG 3.31Å; T117-Q121 WeakPolarHBondContact O-CG 3.32Å; T117-Q121 PolarHBondContact O-N 3Å |
| 118 | T | 91 | Very high | 87.9 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 172.9 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | F47 V50 I54 F86 H114 L115 I116 L122 | F47-T118 WeakPolarHBondContact CD1-OG1 3.14Å; F47-T118 WeakPolarHBondContact CE1-OG1 3.49Å; V50-T118 HydrophobicContact CG1-CG2 3.58Å; I54-T118 HydrophobicContact CD1-CG2 3.35Å; I54-T118 VanDerWaalsContact CD1-O 3.22Å; I54-T118 WeakPolarHBondContact CD1-O 3.24Å; F86-T118 HydrophobicContact CE1-CG2 3.94Å; H114-T118 VanDerWaalsContact O-CB 3.25Å; H114-T118 WeakPolarHBondContact O-CB 3.4Å; H114-T118 PolarHBondContact O-N 3.43Å; H114-T118 PolarHBondContact O-OG1 2.96Å; L115-T118 WeakPolarHBondContact O-CB 3.17Å; L115-T118 PolarHBondContact O-N 3.16Å; I116-T118 PolarHBondContact O-N 3.4Å; T118-L122 PolarHBondContact O-N 3.42Å |
| 119 | F | 93 | Very high | 87.6 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -40.6 | 172.9 | -79.8 | -62.5 | 0 | 0 | 0 | 112.3 | F86 L115 I116 L122 I123 I136 L140 F143 L162 | F86-F119 HydrophobicContact CB-CE1 4.18Å; F86-F119 HydrophobicContact CB-CZ 4.05Å; F86-F119 HydrophobicContact CD1-CD1 4.1Å; F86-F119 AromaticContact CD1-CE1 3.49Å; F86-F119 HydrophobicContact CD1-CE1 3.49Å; F86-F119 VanDerWaalsContact CD1-CE1 3.49Å; F86-F119 HydrophobicContact CD1-CE2 4.45Å; F86-F119 AromaticContact CD1-CZ 3.7Å; F86-F119 HydrophobicContact CD1-CZ 3.7Å; F86-F119 HydrophobicContact CE1-CD1 4.2Å; F86-F119 HydrophobicContact CE1-CE1 4.03Å; F86-F119 AromaticContact CG-CE1 3.83Å; F86-F119 HydrophobicContact CG-CE1 3.83Å; F86-F119 HydrophobicContact CG-CZ 4.1Å; L115-F119 HydrophobicContact CD1-CD2 3.95Å; L115-F119 HydrophobicContact CD1-CE2 3.68Å; L115-F119 HydrophobicContact CD1-CZ 4.39Å; L115-F119 HydrophobicContact CD2-CE2 4.06Å; L115-F119 HydrophobicContact CG-CD2 3.91Å; L115-F119 HydrophobicContact CG-CE2 3.73Å; L115-F119 VanDerWaalsContact O-CD2 3.3Å; L115-F119 WeakPolarHBondContact O-CD2 3.29Å; L115-F119 PolarHBondContact O-N 3.25Å; I116-F119 PolarHBondContact O-N 2.98Å; I116-F119 VanDerWaalsContact O-N 3.16Å; F119-L122 PolarHBondContact O-N 3.5Å; F119-I123 HydrophobicContact CB-CD1 4.27Å; F119-I123 VanDerWaalsContact O-CB 3.29Å; F119-I123 WeakPolarHBondContact O-CB 3.22Å; F119-I123 WeakPolarHBondContact O-CD1 3.42Å; F119-I123 WeakPolarHBondContact O-CG1 3.46Å; F119-I123 PolarHBondContact O-N 2.59Å; F119-I136 HydrophobicContact CE1-CG2 4.31Å; F119-L140 HydrophobicContact CB-CD1 4.09Å; F119-L140 HydrophobicContact CD1-CB 4.36Å; F119-L140 HydrophobicContact CD1-CD1 4.01Å; F119-L140 HydrophobicContact CD2-CD1 3.88Å; F119-L140 HydrophobicContact CE1-CB 3.96Å; F119-L140 HydrophobicContact CE1-CD1 4.35Å; F119-L140 HydrophobicContact CE2-CD1 4.23Å; F119-L140 HydrophobicContact CG-CD1 3.76Å; F119-L140 HydrophobicContact CZ-CB 4.06Å; F119-L140 HydrophobicContact CZ-CD1 4.45Å; F119-F143 HydrophobicContact CD2-CD1 4.12Å; F119-F143 HydrophobicContact CD2-CE1 4.46Å; F119-F143 AromaticContact CE2-CD1 3.96Å; F119-F143 HydrophobicContact CE2-CD1 3.96Å; F119-L162 HydrophobicContact CB-CD1 4.07Å; F119-L162 HydrophobicContact CB-CD2 4.06Å |
| 120 | E | 90.8 | Very high | 87.5 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 19% | 0.192 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56 | -49.9 | 176.7 | -176.2 | -171.7 | 177.9 | 0 | 0 | 111.6 | I116 T117 I123 T124 I158 H161 L162 | I116-E120 WeakPolarHBondContact O-CB 3.48Å; I116-E120 PolarHBondContact O-N 2.75Å; T117-E120 WeakPolarHBondContact CA-OE2 3.11Å; T117-E120 PolarHBondContact O-N 3.37Å; T117-E120 PolarHBondContact OG1-OE2 3.35Å; E120-I123 PolarHBondContact O-N 3.18Å; E120-T124 VanDerWaalsContact O-CB 3.29Å; E120-T124 WeakPolarHBondContact O-CB 3.44Å; E120-T124 PolarHBondContact O-N 3.13Å; E120-T124 PolarHBondContact O-OG1 3.44Å; E120-T124 VanDerWaalsContact O-OG1 3.12Å; E120-I158 VanDerWaalsContact OE2-CG2 3.25Å; E120-I158 WeakPolarHBondContact OE2-CG2 3.31Å; E120-H161 IonicContact OE1-CD2 2.75Å; E120-L162 HydrophobicContact CB-CD1 4.4Å |
| 121 | Q | 87.9 | Confident | 87.3 | Confident | 64 Ų | 64 | 34.7 Ų | 34.7 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 176.2 | -73.8 | 174.3 | -6.2 | 0 | 0 | 112 | I54 T117 I123 Q125 | I54-Q121 HydrophobicContact CG2-CB 4.32Å; T117-Q121 HydrophobicContact CG2-CG 4.47Å; T117-Q121 WeakPolarHBondContact O-CB 3.35Å; T117-Q121 VanDerWaalsContact O-CG 3.31Å; T117-Q121 WeakPolarHBondContact O-CG 3.32Å; T117-Q121 PolarHBondContact O-N 3Å; Q121-I123 VanDerWaalsContact C-N 3.3Å; Q121-I123 PolarHBondContact O-N 2.85Å; Q121-Q125 VanDerWaalsContact O-CB 3.23Å; Q121-Q125 WeakPolarHBondContact O-CB 3.4Å; Q121-Q125 WeakPolarHBondContact O-CG 3.5Å; Q121-Q125 PolarHBondContact O-N 3.43Å |
| 122 | L | 88.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.8 | -43.3 | 177.7 | -173.4 | 72.8 | 0 | 0 | 0 | 111.9 | I54 V57 F86 T118 F119 S126 V130 I136 | I54-L122 HydrophobicContact CD1-CB 4.2Å; I54-L122 HydrophobicContact CG1-CD1 4.35Å; V57-L122 HydrophobicContact CG1-CD1 4.19Å; F86-L122 HydrophobicContact CE1-CD2 4.43Å; F86-L122 HydrophobicContact CE2-CD2 3.79Å; F86-L122 HydrophobicContact CZ-CD2 3.63Å; T118-L122 PolarHBondContact O-N 3.42Å; F119-L122 PolarHBondContact O-N 3.5Å; L122-S126 WeakPolarHBondContact O-CB 3.24Å; L122-S126 PolarHBondContact O-N 3.09Å; L122-S126 PolarHBondContact O-OG 2.89Å; L122-V130 HydrophobicContact CD1-CG1 4.24Å; L122-V130 HydrophobicContact CD2-CG1 3.75Å; L122-V130 HydrophobicContact CG-CG1 3.92Å; L122-I136 HydrophobicContact CD2-CG2 3.86Å |
| 123 | I | 89 | Confident | 87 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -78.8 | -39.7 | -172.9 | -70.3 | 166.8 | 0 | 0 | 0 | 111.9 | F119 E120 Q121 L131 L140 L162 V166 L169 | F119-I123 HydrophobicContact CB-CD1 4.27Å; F119-I123 VanDerWaalsContact O-CB 3.29Å; F119-I123 WeakPolarHBondContact O-CB 3.22Å; F119-I123 WeakPolarHBondContact O-CD1 3.42Å; F119-I123 WeakPolarHBondContact O-CG1 3.46Å; F119-I123 PolarHBondContact O-N 2.59Å; E120-I123 PolarHBondContact O-N 3.18Å; Q121-I123 VanDerWaalsContact C-N 3.3Å; Q121-I123 PolarHBondContact O-N 2.85Å; I123-L131 HydrophobicContact CD1-CD1 4.39Å; I123-L131 HydrophobicContact CD1-CD2 3.94Å; I123-L131 HydrophobicContact CG1-CD1 4.33Å; I123-L131 HydrophobicContact CG1-CD2 3.95Å; I123-L131 HydrophobicContact CG1-CG 4.26Å; I123-L131 HydrophobicContact CG2-CD1 4.31Å; I123-L140 HydrophobicContact CD1-CD2 3.73Å; I123-L162 HydrophobicContact CD1-CD1 3.77Å; I123-V166 HydrophobicContact CD1-CG2 3.99Å; I123-L169 HydrophobicContact CG2-CD1 3.33Å |
| 124 | T | 85.3 | Confident | 86.9 | Confident | 83 Ų | 83 | 36.8 Ų | 36.8 | 51% | 0.509 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -86.4 | -26.4 | -174.9 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | E120 | E120-T124 VanDerWaalsContact O-CB 3.29Å; E120-T124 WeakPolarHBondContact O-CB 3.44Å; E120-T124 PolarHBondContact O-N 3.13Å; E120-T124 PolarHBondContact O-OG1 3.44Å; E120-T124 VanDerWaalsContact O-OG1 3.12Å |
| 125 | Q | 84.8 | Confident | 86.7 | Confident | 97 Ų | 97 | 35.9 Ų | 35.9 | 45% | 0.453 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -104.6 | -24.6 | -174.3 | -54.8 | -178.8 | 0.9 | 0 | 0 | 114.4 | V58 Q121 | V58-Q125 HydrophobicContact CB-CB 4.39Å; V58-Q125 HydrophobicContact CG1-CB 3.69Å; V58-Q125 HydrophobicContact CG2-CB 3.75Å; Q121-Q125 VanDerWaalsContact O-CB 3.23Å; Q121-Q125 WeakPolarHBondContact O-CB 3.4Å; Q121-Q125 WeakPolarHBondContact O-CG 3.5Å; Q121-Q125 PolarHBondContact O-N 3.43Å |
| 126 | S | 83.3 | Confident | 86.6 | Confident | 22 Ų | 22 | 36 Ų | 36 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | trans | -70.3 | 142 | -176.3 | 65.9 | 0 | 0 | 0 | 0 | 113.1 | L122 Q128 V130 | L122-S126 WeakPolarHBondContact O-CB 3.24Å; L122-S126 PolarHBondContact O-N 3.09Å; L122-S126 PolarHBondContact O-OG 2.89Å; S126-Q128 VanDerWaalsContact C-N 3.32Å; S126-V130 VanDerWaalsContact OG-CG2 3.24Å; S126-V130 WeakPolarHBondContact OG-CG2 3.15Å | ||
| 127 | K | 75.9 | Confident | 86.5 | Confident | 92 Ų | 92 | 36 Ų | 36 | 40% | 0.4 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -82.5 | -10.3 | -178.3 | -57.5 | 170.2 | -165.6 | 168 | 0 | 113.3 | D59 H61 | D59-K127 PolarHBondContact O-NZ 3.1Å; D59-K127 WeakPolarHBondContact OD1-CE 3.35Å; D59-K127 IonicContact OD1-NZ 2.66Å; D59-K127 PolarHBondContact OD1-NZ 3.26Å; H61-K127 PolarHBondContact CD2-NZ 3.39Å; H61-K127 WeakPolarHBondContact NE2-CD 3.35Å; H61-K127 PolarHBondContact NE2-NZ 3.4Å |
| 128 | Q | 77.3 | Confident | 86.6 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -105.5 | 159.8 | -177.7 | -61.2 | -178.5 | 43.3 | 0 | 0 | 111 | E60 S126 V130 | E60-Q128 PolarHBondContact O-NE2 2.79Å; S126-Q128 VanDerWaalsContact C-N 3.32Å; Q128-V130 HydrophobicContact CB-CG2 4.25Å; Q128-V130 PolarHBondContact O-N 3.22Å |
| 129 | N | 77.4 | Confident | 86.6 | Confident | 84 Ų | 84 | 35.4 Ų | 35.4 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | trans | -76.8 | 63.9 | 174.7 | -75.7 | -80.7 | 0 | 0 | 0 | 111.5 | L131 L132 N173 | N129-L131 PolarHBondContact O-N 3.12Å; N129-L132 HydrophobicContact CB-CD1 3.63Å; N129-L132 HydrophobicContact CB-CG 4.06Å; N129-L132 WeakPolarHBondContact O-CB 3.49Å; N129-L132 PolarHBondContact O-N 2.9Å; N129-N173 PolarHBondContact OD1-ND2 2.97Å | ||
| 130 | V | 84 | Confident | 86.6 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -57.6 | -25.6 | -171.2 | 177 | 0 | 0 | 0 | 0 | 113.7 | L77 L122 S126 Q128 L132 Y133 I136 | L77-V130 HydrophobicContact CD1-CG1 4.1Å; L77-V130 HydrophobicContact CD1-CG2 4.41Å; L77-V130 HydrophobicContact CD2-CG2 4.11Å; L122-V130 HydrophobicContact CD1-CG1 4.24Å; L122-V130 HydrophobicContact CD2-CG1 3.75Å; L122-V130 HydrophobicContact CG-CG1 3.92Å; S126-V130 VanDerWaalsContact OG-CG2 3.24Å; S126-V130 WeakPolarHBondContact OG-CG2 3.15Å; Q128-V130 HydrophobicContact CB-CG2 4.25Å; Q128-V130 PolarHBondContact O-N 3.22Å; V130-L132 VanDerWaalsContact C-N 3.28Å; V130-L132 PolarHBondContact O-N 2.97Å; V130-Y133 WeakPolarHBondContact O-CD2 3.33Å; V130-Y133 PolarHBondContact O-N 2.99Å; V130-I136 HydrophobicContact CG1-CD1 3.49Å; V130-I136 VanDerWaalsContact CG1-CD1 3.49Å; V130-I136 HydrophobicContact CG1-CG2 4.22Å |
| 131 | L | 85.4 | Confident | 86.7 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -74.7 | -8.6 | 176.9 | -63.8 | 180 | 0 | 0 | 0 | 114.7 | I123 N129 Y133 L137 L140 L169 L176 | I123-L131 HydrophobicContact CD1-CD1 4.39Å; I123-L131 HydrophobicContact CD1-CD2 3.94Å; I123-L131 HydrophobicContact CG1-CD1 4.33Å; I123-L131 HydrophobicContact CG1-CD2 3.95Å; I123-L131 HydrophobicContact CG1-CG 4.26Å; I123-L131 HydrophobicContact CG2-CD1 4.31Å; N129-L131 PolarHBondContact O-N 3.12Å; L131-Y133 PolarHBondContact O-N 3.41Å; L131-L137 HydrophobicContact CB-CD1 4.48Å; L131-L137 HydrophobicContact CD2-CD1 4.26Å; L131-L140 HydrophobicContact CD2-CD2 3.58Å; L131-L169 HydrophobicContact CD1-CD1 4.02Å; L131-L176 VanDerWaalsContact C-CD1 3.42Å; L131-L176 HydrophobicContact CB-CD1 3.6Å; L131-L176 HydrophobicContact CB-CD2 3.92Å; L131-L176 HydrophobicContact CB-CG 4.4Å; L131-L176 HydrophobicContact CD1-CD2 4.26Å; L131-L176 VanDerWaalsContact O-CD1 3.27Å; L131-L176 WeakPolarHBondContact O-CD1 3.26Å |
| 132 | L | 86.1 | Confident | 87 | Confident | 21 Ų | 21 | 33.8 Ų | 33.8 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -73.8 | -8.9 | 173.2 | -71.7 | 173.4 | 0 | 0 | 0 | 113.3 | L71 N129 V130 Q175 L176 F179 | L71-L132 HydrophobicContact CD1-CD1 4.01Å; L71-L132 HydrophobicContact CD2-CD1 4.1Å; N129-L132 HydrophobicContact CB-CD1 3.63Å; N129-L132 HydrophobicContact CB-CG 4.06Å; N129-L132 WeakPolarHBondContact O-CB 3.49Å; N129-L132 PolarHBondContact O-N 2.9Å; V130-L132 VanDerWaalsContact C-N 3.28Å; V130-L132 PolarHBondContact O-N 2.97Å; L132-Q175 HydrophobicContact CD2-CG 4.32Å; L132-L176 HydrophobicContact CD2-CB 3.94Å; L132-L176 HydrophobicContact CD2-CD1 3.84Å; L132-L176 HydrophobicContact CG-CD1 4.19Å; L132-F179 VanDerWaalsContact O-CE1 3.24Å; L132-F179 WeakPolarHBondContact O-CE1 3.42Å |
| 133 | Y | 86.9 | Confident | 87.2 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -97.9 | 119.9 | -177.3 | -57.1 | -75 | 0 | 0 | 0 | 111.7 | E73 L77 I81 V130 L131 I136 L137 | E73-Y133 HydrophobicContact CG-CD1 4.27Å; E73-Y133 HydrophobicContact CG-CE1 3.39Å; L77-Y133 HydrophobicContact CD2-CD2 3.96Å; L77-Y133 HydrophobicContact CD2-CE2 3.51Å; L77-Y133 HydrophobicContact CG-CE2 4.4Å; I81-Y133 HydrophobicContact CD1-CD1 3.63Å; I81-Y133 HydrophobicContact CD1-CD2 4.07Å; I81-Y133 HydrophobicContact CD1-CE1 4.25Å; I81-Y133 HydrophobicContact CD1-CG 3.52Å; V130-Y133 WeakPolarHBondContact O-CD2 3.33Å; V130-Y133 PolarHBondContact O-N 2.99Å; L131-Y133 PolarHBondContact O-N 3.41Å; Y133-I136 PolarHBondContact O-N 2.84Å; Y133-L137 PolarHBondContact O-N 3.34Å; Y133-L137 VanDerWaalsContact O-N 3.1Å |
| 134 | R | 88.8 | Confident | 87.4 | Confident | 99 Ų | 99 | 33.1 Ų | 33.1 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -52.2 | -43.2 | -175.4 | -160.4 | 174.2 | -176.6 | -99.1 | 12.2 | 113.9 | I136 L137 Q138 F179 L183 E186 | R134-I136 PolarHBondContact O-N 2.93Å; R134-I136 VanDerWaalsContact O-N 3.09Å; R134-L137 PolarHBondContact O-N 3.31Å; R134-Q138 WeakPolarHBondContact O-CB 3.32Å; R134-Q138 PolarHBondContact O-N 3.09Å; R134-F179 HydrophobicContact CB-CZ 3.95Å; R134-F179 HydrophobicContact CG-CZ 4.35Å; R134-L183 HydrophobicContact CG-CD1 3.85Å; R134-L183 HydrophobicContact CG-CD2 4.46Å; R134-E186 IonicContact CZ-OE2 3.93Å; R134-E186 IonicContact NE-OE2 3.59Å; R134-E186 IonicContact NH2-OE1 2.64Å; R134-E186 PolarHBondContact NH2-OE1 3.49Å; R134-E186 IonicContact NH2-OE2 3.82Å; R134-E186 PolarHBondContact NH2-OE2 3.33Å |
| 135 | P | 87.7 | Confident | 87.7 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.2 | -6.7 | -179.7 | -24.1 | 38.3 | 0 | 0 | 0 | 115.5 | I81 P139 | I81-P135 HydrophobicContact CG2-CG 4.25Å; P135-P139 WeakPolarHBondContact O-CD 3.42Å; P135-P139 WeakPolarHBondContact O-CG 3.42Å |
| 136 | I | 90.1 | Very high | 88 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -107.6 | -47.1 | 175.3 | -54.3 | 177.8 | 0 | 0 | 0 | 109.9 | L77 I81 F86 F119 L122 V130 Y133 R134 P139 L140 | L77-I136 HydrophobicContact CD1-CD1 3.75Å; I81-I136 HydrophobicContact CG1-CD1 4.41Å; F86-I136 HydrophobicContact CD2-CG1 4.13Å; F86-I136 HydrophobicContact CD2-CG2 4.28Å; F119-I136 HydrophobicContact CE1-CG2 4.31Å; L122-I136 HydrophobicContact CD2-CG2 3.86Å; V130-I136 HydrophobicContact CG1-CD1 3.49Å; V130-I136 VanDerWaalsContact CG1-CD1 3.49Å; V130-I136 HydrophobicContact CG1-CG2 4.22Å; Y133-I136 PolarHBondContact O-N 2.84Å; R134-I136 PolarHBondContact O-N 2.93Å; R134-I136 VanDerWaalsContact O-N 3.09Å; I136-P139 WeakPolarHBondContact O-CD 3.44Å; I136-P139 WeakPolarHBondContact O-CG 3.41Å; I136-L140 WeakPolarHBondContact O-CB 3.35Å; I136-L140 PolarHBondContact O-N 2.93Å |
| 137 | L | 91.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -37.8 | 179.6 | -172.5 | 63.5 | 0 | 0 | 0 | 112.8 | L131 Y133 R134 L140 C141 F179 L183 | L131-L137 HydrophobicContact CB-CD1 4.48Å; L131-L137 HydrophobicContact CD2-CD1 4.26Å; Y133-L137 PolarHBondContact O-N 3.34Å; Y133-L137 VanDerWaalsContact O-N 3.1Å; R134-L137 PolarHBondContact O-N 3.31Å; L137-L140 HydrophobicContact CD1-CD2 4.43Å; L137-L140 PolarHBondContact O-N 3.22Å; L137-C141 WeakPolarHBondContact O-CB 3.44Å; L137-C141 PolarHBondContact O-N 2.96Å; L137-C141 PolarHBondContact O-SG 3.14Å; L137-F179 HydrophobicContact CB-CE1 4.39Å; L137-F179 HydrophobicContact CD2-CD1 3.66Å; L137-F179 HydrophobicContact CD2-CE1 3.62Å; L137-L183 HydrophobicContact CB-CD2 4.02Å; L137-L183 HydrophobicContact CD2-CD2 3.77Å; L137-L183 HydrophobicContact CG-CD2 3.78Å |
| 138 | Q | 93.3 | Very high | 88.9 | Confident | 29 Ų | 29 | 29 Ų | 29 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -57.7 | 178.6 | 172 | 174.6 | -46.8 | 0 | 0 | 112.8 | E87 R134 L140 C141 Q142 L183 I187 | E87-Q138 PolarHBondContact OE1-NE2 3.44Å; R134-Q138 WeakPolarHBondContact O-CB 3.32Å; R134-Q138 PolarHBondContact O-N 3.09Å; Q138-L140 VanDerWaalsContact C-N 3.3Å; Q138-L140 PolarHBondContact O-N 3.5Å; Q138-C141 PolarHBondContact O-N 3.32Å; Q138-Q142 WeakPolarHBondContact O-CG 3.19Å; Q138-Q142 PolarHBondContact O-N 2.92Å; Q138-L183 HydrophobicContact CB-CD2 4.32Å; Q138-I187 HydrophobicContact CB-CD1 4.37Å; Q138-I187 HydrophobicContact CG-CD1 3.83Å |
| 139 | P | 91.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -33.8 | 177.9 | 23.7 | -32.5 | 0 | 0 | 0 | 112.2 | F86 L90 P135 I136 Q142 F143 | F86-P139 HydrophobicContact CB-CB 4.47Å; F86-P139 HydrophobicContact CB-CG 3.88Å; L90-P139 HydrophobicContact CD2-CB 3.7Å; L90-P139 WeakPolarHBondContact CD2-O 3.36Å; P135-P139 WeakPolarHBondContact O-CD 3.42Å; P135-P139 WeakPolarHBondContact O-CG 3.42Å; I136-P139 WeakPolarHBondContact O-CD 3.44Å; I136-P139 WeakPolarHBondContact O-CG 3.41Å; P139-Q142 PolarHBondContact O-N 3.32Å; P139-F143 WeakPolarHBondContact O-CB 3.49Å; P139-F143 PolarHBondContact O-N 2.88Å |
| 140 | L | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.1 | -50.3 | 173.3 | 176.7 | 63.5 | 0 | 0 | 0 | 111.9 | F119 I123 L131 I136 L137 Q138 Q142 F143 L144 L162 V166 | F119-L140 HydrophobicContact CB-CD1 4.09Å; F119-L140 HydrophobicContact CD1-CB 4.36Å; F119-L140 HydrophobicContact CD1-CD1 4.01Å; F119-L140 HydrophobicContact CD2-CD1 3.88Å; F119-L140 HydrophobicContact CE1-CB 3.96Å; F119-L140 HydrophobicContact CE1-CD1 4.35Å; F119-L140 HydrophobicContact CE2-CD1 4.23Å; F119-L140 HydrophobicContact CG-CD1 3.76Å; F119-L140 HydrophobicContact CZ-CB 4.06Å; F119-L140 HydrophobicContact CZ-CD1 4.45Å; I123-L140 HydrophobicContact CD1-CD2 3.73Å; L131-L140 HydrophobicContact CD2-CD2 3.58Å; I136-L140 WeakPolarHBondContact O-CB 3.35Å; I136-L140 PolarHBondContact O-N 2.93Å; L137-L140 HydrophobicContact CD1-CD2 4.43Å; L137-L140 PolarHBondContact O-N 3.22Å; Q138-L140 VanDerWaalsContact C-N 3.3Å; Q138-L140 PolarHBondContact O-N 3.5Å; L140-Q142 PolarHBondContact O-N 3.15Å; L140-F143 PolarHBondContact O-N 3.36Å; L140-L144 HydrophobicContact CD1-CD1 3.9Å; L140-L144 HydrophobicContact CD1-CG 4.04Å; L140-L144 HydrophobicContact CG-CD1 4Å; L140-L144 HydrophobicContact CG-CG 4.49Å; L140-L144 WeakPolarHBondContact O-CB 3.42Å; L140-L144 WeakPolarHBondContact O-CG 3.28Å; L140-L144 PolarHBondContact O-N 3.43Å; L140-L162 HydrophobicContact CD1-CD2 4.17Å; L140-V166 HydrophobicContact CD2-CG2 4.05Å |
| 141 | C | 92.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 179.9 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | L137 Q138 F143 F145 F188 | L137-C141 WeakPolarHBondContact O-CB 3.44Å; L137-C141 PolarHBondContact O-N 2.96Å; L137-C141 PolarHBondContact O-SG 3.14Å; Q138-C141 PolarHBondContact O-N 3.32Å; C141-F143 VanDerWaalsContact C-N 3.35Å; C141-F145 VanDerWaalsContact O-CB 3.29Å; C141-F145 WeakPolarHBondContact O-CB 3.22Å; C141-F145 PolarHBondContact O-N 3.43Å; C141-F188 HydrophobicContact CB-CE2 4.11Å; C141-F188 HydrophobicContact CB-CZ 4.48Å |
| 142 | Q | 92.7 | Very high | 89.9 | Confident | 66 Ų | 66 | 37.6 Ų | 37.6 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 175.7 | -70.4 | 177.5 | 0.5 | 0 | 0 | 112 | L90 Q138 P139 L140 K146 I187 F188 | L90-Q142 HydrophobicContact CD2-CB 4.33Å; Q138-Q142 WeakPolarHBondContact O-CG 3.19Å; Q138-Q142 PolarHBondContact O-N 2.92Å; P139-Q142 PolarHBondContact O-N 3.32Å; L140-Q142 PolarHBondContact O-N 3.15Å; Q142-K146 VanDerWaalsContact O-CB 3.3Å; Q142-K146 WeakPolarHBondContact O-CB 3.46Å; Q142-K146 PolarHBondContact O-N 3.44Å; Q142-I187 HydrophobicContact CG-CG2 4.37Å; Q142-F188 HydrophobicContact CG-CZ 4.08Å |
| 143 | F | 93.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.5 | -50.6 | 177.4 | -174.7 | -132.7 | 0 | 0 | 0 | 111.6 | L90 R112 L115 I116 F119 P139 L140 C141 F145 K146 L147 | L90-F143 HydrophobicContact CD1-CB 3.89Å; L90-F143 HydrophobicContact CD1-CD2 3.54Å; L90-F143 HydrophobicContact CD1-CE2 4.34Å; L90-F143 HydrophobicContact CD1-CG 3.98Å; L90-F143 HydrophobicContact CD2-CB 4.36Å; R112-F143 HydrophobicContact CB-CZ 4.36Å; R112-F143 HydrophobicContact CG-CE2 4.14Å; R112-F143 HydrophobicContact CG-CZ 4.32Å; L115-F143 HydrophobicContact CB-CE1 3.92Å; L115-F143 HydrophobicContact CB-CZ 3.89Å; L115-F143 HydrophobicContact CD2-CD1 3.88Å; L115-F143 HydrophobicContact CD2-CD2 4.14Å; L115-F143 HydrophobicContact CD2-CE1 3.65Å; L115-F143 HydrophobicContact CD2-CE2 3.94Å; L115-F143 HydrophobicContact CD2-CG 4.12Å; L115-F143 HydrophobicContact CD2-CZ 3.69Å; L115-F143 HydrophobicContact CG-CD1 4.12Å; L115-F143 HydrophobicContact CG-CE1 3.63Å; L115-F143 HydrophobicContact CG-CZ 3.95Å; I116-F143 HydrophobicContact CG1-CE1 3.66Å; I116-F143 HydrophobicContact CG1-CZ 4.02Å; F119-F143 HydrophobicContact CD2-CD1 4.12Å; F119-F143 HydrophobicContact CD2-CE1 4.46Å; F119-F143 AromaticContact CE2-CD1 3.96Å; F119-F143 HydrophobicContact CE2-CD1 3.96Å; P139-F143 WeakPolarHBondContact O-CB 3.49Å; P139-F143 PolarHBondContact O-N 2.88Å; L140-F143 PolarHBondContact O-N 3.36Å; C141-F143 VanDerWaalsContact C-N 3.35Å; F143-F145 PolarHBondContact O-N 3.39Å; F143-K146 PolarHBondContact O-N 3.21Å; F143-L147 HydrophobicContact CD1-CD1 3.99Å; F143-L147 HydrophobicContact CD2-CD1 4.19Å; F143-L147 HydrophobicContact CD2-CD2 4.5Å; F143-L147 HydrophobicContact CD2-CG 4.06Å; F143-L147 HydrophobicContact CE1-CD1 3.71Å; F143-L147 HydrophobicContact CE2-CD1 3.92Å; F143-L147 HydrophobicContact CE2-CD2 3.92Å; F143-L147 HydrophobicContact CE2-CG 3.9Å; F143-L147 HydrophobicContact CG-CD1 4.23Å; F143-L147 HydrophobicContact CG-CG 4.46Å; F143-L147 HydrophobicContact CZ-CD1 3.67Å; F143-L147 HydrophobicContact CZ-CD2 4.21Å; F143-L147 HydrophobicContact CZ-CG 4.16Å; F143-L147 WeakPolarHBondContact O-CB 3.16Å; F143-L147 VanDerWaalsContact O-CG 3.29Å; F143-L147 WeakPolarHBondContact O-CG 3.49Å; F143-L147 PolarHBondContact O-N 3.41Å |
| 144 | L | 93.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 176.6 | -71 | 173.4 | 0 | 0 | 0 | 111.7 | L140 K146 L147 S148 Y159 L162 L163 L197 | L140-L144 HydrophobicContact CD1-CD1 3.9Å; L140-L144 HydrophobicContact CD1-CG 4.04Å; L140-L144 HydrophobicContact CG-CD1 4Å; L140-L144 HydrophobicContact CG-CG 4.49Å; L140-L144 WeakPolarHBondContact O-CB 3.42Å; L140-L144 WeakPolarHBondContact O-CG 3.28Å; L140-L144 PolarHBondContact O-N 3.43Å; L144-K146 PolarHBondContact O-N 3.48Å; L144-L147 PolarHBondContact O-N 2.98Å; L144-S148 PolarHBondContact O-N 2.92Å; L144-Y159 HydrophobicContact CB-CE2 4.39Å; L144-Y159 HydrophobicContact CD2-CD2 3.84Å; L144-Y159 HydrophobicContact CD2-CE2 3.66Å; L144-L162 HydrophobicContact CD2-CD2 4.01Å; L144-L162 HydrophobicContact CD2-CG 4.3Å; L144-L163 HydrophobicContact CD1-CD1 4.36Å; L144-L197 HydrophobicContact CB-CD1 3.87Å |
| 145 | F | 91.9 | Very high | 89.9 | Confident | 87 Ų | 87 | 38.2 Ų | 38.2 | 38% | 0.382 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 175.2 | 179.7 | -101.8 | 0 | 0 | 0 | 111.8 | C141 F143 L147 S148 F188 M193 L197 | C141-F145 VanDerWaalsContact O-CB 3.29Å; C141-F145 WeakPolarHBondContact O-CB 3.22Å; C141-F145 PolarHBondContact O-N 3.43Å; F143-F145 PolarHBondContact O-N 3.39Å; F145-L147 PolarHBondContact O-N 3.42Å; F145-S148 WeakPolarHBondContact O-CB 3.48Å; F145-S148 PolarHBondContact O-N 3.47Å; F145-S148 PolarHBondContact O-OG 2.97Å; F145-F188 HydrophobicContact CB-CE1 4.04Å; F145-F188 HydrophobicContact CB-CZ 4.15Å; F145-F188 HydrophobicContact CD1-CD1 4.29Å; F145-F188 AromaticContact CD1-CE1 3.81Å; F145-F188 HydrophobicContact CD1-CE1 3.81Å; F145-F188 HydrophobicContact CD2-CE1 4.46Å; F145-F188 HydrophobicContact CE1-CE1 4.42Å; F145-F188 HydrophobicContact CG-CD1 4.31Å; F145-F188 AromaticContact CG-CE1 3.84Å; F145-F188 HydrophobicContact CG-CE1 3.84Å; F145-F188 HydrophobicContact CG-CZ 4.43Å; F145-M193 HydrophobicContact CD2-CE 3.75Å; F145-M193 HydrophobicContact CD2-CG 4.19Å; F145-M193 HydrophobicContact CD2-SD 3.52Å; F145-M193 VanDerWaalsContact CD2-SD 3.52Å; F145-M193 HydrophobicContact CE2-CE 3.47Å; F145-M193 VanDerWaalsContact CE2-CE 3.47Å; F145-M193 HydrophobicContact CE2-SD 3.73Å; F145-M193 HydrophobicContact CZ-CE 4.38Å; F145-L197 HydrophobicContact CD2-CD2 4.14Å |
| 146 | K | 90.3 | Very high | 90 | Very high | 78 Ų | 78 | 37.1 Ų | 37.1 | 34% | 0.339 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 179.2 | -161.6 | 178.9 | -159.3 | -173.9 | 0 | 112.2 | E94 Q142 F143 L144 S149 | E94-K146 HydrophobicContact CG-CD 4.26Å; E94-K146 WeakPolarHBondContact OE2-CE 3.34Å; E94-K146 IonicContact OE2-NZ 2.8Å; E94-K146 PolarHBondContact OE2-NZ 3.31Å; Q142-K146 VanDerWaalsContact O-CB 3.3Å; Q142-K146 WeakPolarHBondContact O-CB 3.46Å; Q142-K146 PolarHBondContact O-N 3.44Å; F143-K146 PolarHBondContact O-N 3.21Å; L144-K146 PolarHBondContact O-N 3.48Å; K146-S149 PolarHBondContact O-OG 3.46Å |
| 147 | L | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.7 | -72.4 | 179 | 0 | 0 | 0 | 112 | R112 I116 F143 L144 F145 S149 Q150 L151 Y155 Y159 | R112-L147 HydrophobicContact CB-CD2 4.41Å; R112-L147 HydrophobicContact CG-CD2 4.15Å; I116-L147 HydrophobicContact CD1-CD1 3.76Å; I116-L147 HydrophobicContact CG1-CD1 3.82Å; F143-L147 HydrophobicContact CD1-CD1 3.99Å; F143-L147 HydrophobicContact CD2-CD1 4.19Å; F143-L147 HydrophobicContact CD2-CD2 4.5Å; F143-L147 HydrophobicContact CD2-CG 4.06Å; F143-L147 HydrophobicContact CE1-CD1 3.71Å; F143-L147 HydrophobicContact CE2-CD1 3.92Å; F143-L147 HydrophobicContact CE2-CD2 3.92Å; F143-L147 HydrophobicContact CE2-CG 3.9Å; F143-L147 HydrophobicContact CG-CD1 4.23Å; F143-L147 HydrophobicContact CG-CG 4.46Å; F143-L147 HydrophobicContact CZ-CD1 3.67Å; F143-L147 HydrophobicContact CZ-CD2 4.21Å; F143-L147 HydrophobicContact CZ-CG 4.16Å; F143-L147 WeakPolarHBondContact O-CB 3.16Å; F143-L147 VanDerWaalsContact O-CG 3.29Å; F143-L147 WeakPolarHBondContact O-CG 3.49Å; F143-L147 PolarHBondContact O-N 3.41Å; L144-L147 PolarHBondContact O-N 2.98Å; F145-L147 PolarHBondContact O-N 3.42Å; L147-S149 PolarHBondContact O-N 3.33Å; L147-S149 VanDerWaalsContact O-N 3.12Å; L147-Q150 CarbonylContact O-C 3.35Å; L147-Q150 WeakPolarHBondContact O-CA 3.35Å; L147-Q150 PolarHBondContact O-N 3.16Å; L147-L151 WeakPolarHBondContact O-CD1 3.33Å; L147-L151 PolarHBondContact O-N 2.88Å; L147-L151 VanDerWaalsContact O-N 3.11Å; L147-Y155 HydrophobicContact CD2-CD2 4.46Å; L147-Y155 HydrophobicContact CD2-CE2 3.77Å; L147-Y159 HydrophobicContact CB-CD2 3.83Å; L147-Y159 HydrophobicContact CB-CE2 3.76Å; L147-Y159 HydrophobicContact CD1-CD2 3.75Å; L147-Y159 HydrophobicContact CD1-CE2 4.33Å; L147-Y159 HydrophobicContact CG-CD2 4.48Å |
| 148 | S | 89 | Confident | 90 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -52.2 | -38 | -178.5 | 77.5 | 0 | 0 | 0 | 0 | 113.3 | L144 F145 Q150 Y159 | L144-S148 PolarHBondContact O-N 2.92Å; F145-S148 WeakPolarHBondContact O-CB 3.48Å; F145-S148 PolarHBondContact O-N 3.47Å; F145-S148 PolarHBondContact O-OG 2.97Å; S148-Q150 VanDerWaalsContact C-N 3.3Å; S148-Q150 PolarHBondContact O-N 3.19Å; S148-Y159 WeakPolarHBondContact CB-OH 3.49Å |
| 149 | S | 85.6 | Confident | 90 | Very high | 90 Ų | 90 | 40.8 Ų | 40.8 | 63% | 0.629 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6.5 | 177.6 | 70.4 | 0 | 0 | 0 | 0 | 115 | K146 L147 | K146-S149 PolarHBondContact O-OG 3.46Å; L147-S149 PolarHBondContact O-N 3.33Å; L147-S149 VanDerWaalsContact O-N 3.12Å |
| 150 | Q | 85.7 | Confident | 90 | Very high | 67 Ų | 67 | 41 Ų | 41 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | 24.6 | -169.8 | -62.7 | -178.5 | 26.1 | 0 | 0 | 113.2 | R108 L147 S148 R152 Y155 | R108-Q150 VanDerWaalsContact NH1-OE1 3.08Å; L147-Q150 CarbonylContact O-C 3.35Å; L147-Q150 WeakPolarHBondContact O-CA 3.35Å; L147-Q150 PolarHBondContact O-N 3.16Å; S148-Q150 VanDerWaalsContact C-N 3.3Å; S148-Q150 PolarHBondContact O-N 3.19Å; Q150-R152 WeakPolarHBondContact O-CG 3.33Å; Q150-R152 PolarHBondContact O-N 2.96Å; Q150-Y155 PolarHBondContact O-OH 3.2Å |
| 151 | L | 86.2 | Confident | 89.9 | Confident | 46 Ų | 46 | 44.4 Ų | 44.4 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | trans | -49.5 | 129.3 | 178.5 | -104.1 | 75.1 | 0 | 0 | 0 | 111.6 | L147 D156 Y159 L201 L208 | L147-L151 WeakPolarHBondContact O-CD1 3.33Å; L147-L151 PolarHBondContact O-N 2.88Å; L147-L151 VanDerWaalsContact O-N 3.11Å; L151-D156 HydrophobicContact CD2-CB 3.93Å; L151-D156 HydrophobicContact CG-CB 4.09Å; L151-Y159 HydrophobicContact CD1-CD1 3.98Å; L151-Y159 HydrophobicContact CD1-CE1 3.77Å; L151-Y159 HydrophobicContact CD2-CD1 4.44Å; L151-Y159 HydrophobicContact CG-CD1 4.39Å; L151-L201 HydrophobicContact CD2-CD2 3.8Å; L151-L208 HydrophobicContact CD2-CD2 3.88Å | ||
| 152 | R | 86.1 | Confident | 89.9 | Confident | 93 Ų | 93 | 44.2 Ų | 44.2 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | trans | -127.7 | 143.3 | 176.7 | -68.3 | -103.8 | -71.4 | -172.2 | 0.9 | 109 | D109 Q150 S154 Y155 D156 | D109-R152 IonicContact OD1-NE 3.21Å; D109-R152 IonicContact OD1-NH2 2.92Å; D109-R152 IonicContact OD2-CZ 2.77Å; D109-R152 IonicContact OD2-NE 2.72Å; D109-R152 PolarHBondContact OD2-NE 3.4Å; D109-R152 IonicContact OD2-NH2 3.63Å; D109-R152 PolarHBondContact OD2-NH2 3.17Å; Q150-R152 WeakPolarHBondContact O-CG 3.33Å; Q150-R152 PolarHBondContact O-N 2.96Å; R152-S154 VanDerWaalsContact CB-OG 3.29Å; R152-S154 WeakPolarHBondContact CB-OG 3.45Å; R152-S154 PolarHBondContact O-N 2.94Å; R152-Y155 HydrophobicContact CB-CE1 4.05Å; R152-Y155 PolarHBondContact O-N 2.98Å; R152-D156 WeakPolarHBondContact O-CB 3.23Å; R152-D156 PolarHBondContact O-N 3.1Å | ||
| 153 | P | 84.6 | Confident | 90 | Very high | 119 Ų | 119 | 41.1 Ų | 41.1 | 77% | 0.773 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -6.3 | 177.4 | -24.8 | 34.7 | 0 | 0 | 0 | 115.2 | ||
| 154 | S | 86.7 | Confident | 90 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -46.8 | 169 | 37.5 | 0 | 0 | 0 | 0 | 111.6 | D109 R113 R152 | D109-S154 PolarHBondContact OD2-OG 3.2Å; R113-S154 PolarHBondContact NH1-O 3.04Å; R113-S154 PolarHBondContact NH2-O 3.43Å; R152-S154 VanDerWaalsContact CB-OG 3.29Å; R152-S154 WeakPolarHBondContact CB-OG 3.45Å; R152-S154 PolarHBondContact O-N 2.94Å |
| 155 | Y | 90.4 | Very high | 90 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 4.9 | -171.5 | 51 | -103.2 | 0 | 0 | 0 | 115.5 | D109 R112 I116 L147 Q150 R152 Q157 I158 Y159 | D109-Y155 HydrophobicContact CB-CD1 4.26Å; D109-Y155 HydrophobicContact CB-CE1 3.95Å; D109-Y155 WeakPolarHBondContact OD1-CE1 3.46Å; R112-Y155 HydrophobicContact CB-CD1 4.17Å; R112-Y155 HydrophobicContact CB-CE1 4.01Å; R112-Y155 PolarHBondContact NH1-OH 3.35Å; I116-Y155 HydrophobicContact CD1-CD2 3.94Å; I116-Y155 HydrophobicContact CD1-CG 4.02Å; L147-Y155 HydrophobicContact CD2-CD2 4.46Å; L147-Y155 HydrophobicContact CD2-CE2 3.77Å; Q150-Y155 PolarHBondContact O-OH 3.2Å; R152-Y155 HydrophobicContact CB-CE1 4.05Å; R152-Y155 PolarHBondContact O-N 2.98Å; Y155-Q157 PolarHBondContact O-N 3.29Å; Y155-I158 PolarHBondContact O-N 3.03Å; Y155-Y159 WeakPolarHBondContact O-CB 3.45Å; Y155-Y159 PolarHBondContact O-N 3.46Å |
| 156 | D | 90.6 | Very high | 90.1 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | -174.4 | 70.5 | -9.2 | 0 | 0 | 0 | 114 | L151 R152 I158 Y159 G160 R204 L208 | L151-D156 HydrophobicContact CD2-CB 3.93Å; L151-D156 HydrophobicContact CG-CB 4.09Å; R152-D156 WeakPolarHBondContact O-CB 3.23Å; R152-D156 PolarHBondContact O-N 3.1Å; D156-I158 PolarHBondContact O-N 2.98Å; D156-Y159 PolarHBondContact O-N 3.48Å; D156-G160 PolarHBondContact O-N 3.36Å; D156-R204 IonicContact OD2-CZ 3.35Å; D156-R204 IonicContact OD2-NH1 3.51Å; D156-R204 IonicContact OD2-NH2 3.81Å; D156-R204 PolarHBondContact OD2-NH2 3.46Å; D156-L208 HydrophobicContact CB-CD2 3.78Å; D156-L208 WeakPolarHBondContact O-CD1 3.3Å |
| 157 | Q | 91.3 | Very high | 90.3 | Very high | 68 Ų | 68 | 35.7 Ų | 35.7 | 32% | 0.318 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 176.5 | -51.5 | -53.1 | -62.4 | 0 | 0 | 112.9 | Y155 G160 H161 D206 | Y155-Q157 PolarHBondContact O-N 3.29Å; Q157-G160 WeakPolarHBondContact O-CA 3.32Å; Q157-G160 PolarHBondContact O-N 3.47Å; Q157-G160 VanDerWaalsContact O-N 3.15Å; Q157-H161 PolarHBondContact O-N 3.26Å; Q157-D206 PolarHBondContact NE2-OD2 3Å |
| 158 | I | 90.9 | Very high | 90.4 | Very high | 41 Ų | 41 | 36 Ų | 36 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.2 | -37.7 | -178.2 | -44.2 | -179.3 | 0 | 0 | 0 | 110.3 | R113 I116 E120 Y155 D156 G160 H161 L162 | R113-I158 HydrophobicContact CG-CD1 4.08Å; I116-I158 HydrophobicContact CG2-CB 4.05Å; I116-I158 HydrophobicContact CG2-CG2 3.57Å; E120-I158 VanDerWaalsContact OE2-CG2 3.25Å; E120-I158 WeakPolarHBondContact OE2-CG2 3.31Å; Y155-I158 PolarHBondContact O-N 3.03Å; D156-I158 PolarHBondContact O-N 2.98Å; I158-G160 VanDerWaalsContact C-N 3.25Å; I158-G160 PolarHBondContact O-N 2.84Å; I158-H161 PolarHBondContact O-N 2.89Å; I158-L162 WeakPolarHBondContact O-CB 3.26Å; I158-L162 PolarHBondContact O-N 3.14Å |
| 159 | Y | 93.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.7 | -40.9 | 168.3 | 165.9 | -91.2 | 0 | 0 | 0 | 111.5 | L144 L147 S148 L151 Y155 D156 L163 L201 | L144-Y159 HydrophobicContact CB-CE2 4.39Å; L144-Y159 HydrophobicContact CD2-CD2 3.84Å; L144-Y159 HydrophobicContact CD2-CE2 3.66Å; L147-Y159 HydrophobicContact CB-CD2 3.83Å; L147-Y159 HydrophobicContact CB-CE2 3.76Å; L147-Y159 HydrophobicContact CD1-CD2 3.75Å; L147-Y159 HydrophobicContact CD1-CE2 4.33Å; L147-Y159 HydrophobicContact CG-CD2 4.48Å; S148-Y159 WeakPolarHBondContact CB-OH 3.49Å; L151-Y159 HydrophobicContact CD1-CD1 3.98Å; L151-Y159 HydrophobicContact CD1-CE1 3.77Å; L151-Y159 HydrophobicContact CD2-CD1 4.44Å; L151-Y159 HydrophobicContact CG-CD1 4.39Å; Y155-Y159 WeakPolarHBondContact O-CB 3.45Å; Y155-Y159 PolarHBondContact O-N 3.46Å; D156-Y159 PolarHBondContact O-N 3.48Å; Y159-L163 HydrophobicContact CE1-CD2 4.1Å; Y159-L163 VanDerWaalsContact O-CB 3.26Å; Y159-L163 WeakPolarHBondContact O-CB 3.38Å; Y159-L163 PolarHBondContact O-N 2.64Å; Y159-L201 HydrophobicContact CE1-CD1 4.29Å |
| 160 | G | 90.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D156 Q157 I158 L163 H164 | D156-G160 PolarHBondContact O-N 3.36Å; Q157-G160 WeakPolarHBondContact O-CA 3.32Å; Q157-G160 PolarHBondContact O-N 3.47Å; Q157-G160 VanDerWaalsContact O-N 3.15Å; I158-G160 VanDerWaalsContact C-N 3.25Å; I158-G160 PolarHBondContact O-N 2.84Å; G160-L163 PolarHBondContact O-N 2.93Å; G160-H164 WeakPolarHBondContact O-CB 3.49Å; G160-H164 PolarHBondContact O-N 3.14Å |
| 161 | H | 91.2 | Very high | 91.1 | Very high | 73 Ų | 73 | 30.2 Ų | 30.2 | 34% | 0.338 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 178.4 | -168.6 | 12.9 | 0 | 0 | 0 | 111.9 | E120 Q157 I158 L163 H164 E165 | E120-H161 IonicContact OE1-CD2 2.75Å; Q157-H161 PolarHBondContact O-N 3.26Å; I158-H161 PolarHBondContact O-N 2.89Å; H161-L163 VanDerWaalsContact C-N 3.35Å; H161-L163 PolarHBondContact O-N 3.41Å; H161-H164 WeakPolarHBondContact O-CB 3.47Å; H161-H164 PolarHBondContact O-N 3.15Å; H161-E165 IonicContact CE1-OE1 2.7Å; H161-E165 PolarHBondContact CE1-OE1 3.12Å; H161-E165 IonicContact ND1-OE1 3.78Å; H161-E165 PolarHBondContact O-N 3.02Å |
| 162 | L | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.1 | 176.5 | 61.2 | 0 | 0 | 0 | 111.7 | I116 F119 E120 I123 L140 L144 I158 H164 E165 V166 | I116-L162 HydrophobicContact CB-CD2 4.37Å; I116-L162 HydrophobicContact CG2-CB 4.1Å; I116-L162 HydrophobicContact CG2-CD2 3.78Å; F119-L162 HydrophobicContact CB-CD1 4.07Å; F119-L162 HydrophobicContact CB-CD2 4.06Å; E120-L162 HydrophobicContact CB-CD1 4.4Å; I123-L162 HydrophobicContact CD1-CD1 3.77Å; L140-L162 HydrophobicContact CD1-CD2 4.17Å; L144-L162 HydrophobicContact CD2-CD2 4.01Å; L144-L162 HydrophobicContact CD2-CG 4.3Å; I158-L162 WeakPolarHBondContact O-CB 3.26Å; I158-L162 PolarHBondContact O-N 3.14Å; L162-H164 VanDerWaalsContact C-N 3.33Å; L162-H164 PolarHBondContact O-N 3.31Å; L162-E165 PolarHBondContact O-N 3.03Å; L162-V166 HydrophobicContact CD1-CG2 4.28Å; L162-V166 WeakPolarHBondContact O-CB 3.5Å; L162-V166 VanDerWaalsContact O-CG2 3.26Å; L162-V166 WeakPolarHBondContact O-CG2 3.47Å; L162-V166 PolarHBondContact O-N 2.91Å |
| 163 | L | 94.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 177.6 | -175.3 | 61.2 | 0 | 0 | 0 | 111.8 | L144 Y159 G160 H161 C167 I194 L197 L198 L201 | L144-L163 HydrophobicContact CD1-CD1 4.36Å; Y159-L163 HydrophobicContact CE1-CD2 4.1Å; Y159-L163 VanDerWaalsContact O-CB 3.26Å; Y159-L163 WeakPolarHBondContact O-CB 3.38Å; Y159-L163 PolarHBondContact O-N 2.64Å; G160-L163 PolarHBondContact O-N 2.93Å; H161-L163 VanDerWaalsContact C-N 3.35Å; H161-L163 PolarHBondContact O-N 3.41Å; L163-C167 WeakPolarHBondContact O-CB 3.39Å; L163-C167 PolarHBondContact O-N 3.34Å; L163-C167 PolarHBondContact O-SG 3.3Å; L163-I194 HydrophobicContact CD1-CG2 3.83Å; L163-L197 HydrophobicContact CD1-CB 4.36Å; L163-L197 HydrophobicContact CD1-CD1 4.35Å; L163-L197 HydrophobicContact CD2-CB 3.93Å; L163-L198 HydrophobicContact CD2-CD2 3.63Å; L163-L198 HydrophobicContact CD2-CG 4.17Å; L163-L198 HydrophobicContact CG-CD2 3.85Å; L163-L198 HydrophobicContact CG-CG 4.45Å; L163-L201 HydrophobicContact CD2-CD1 4.39Å |
| 164 | H | 93.8 | Very high | 91.5 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 12% | 0.12 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -50.4 | 174.7 | -179.3 | 66.7 | 0 | 0 | 0 | 112.3 | G160 H161 L162 V166 C167 I168 S211 S215 | G160-H164 WeakPolarHBondContact O-CB 3.49Å; G160-H164 PolarHBondContact O-N 3.14Å; H161-H164 WeakPolarHBondContact O-CB 3.47Å; H161-H164 PolarHBondContact O-N 3.15Å; L162-H164 VanDerWaalsContact C-N 3.33Å; L162-H164 PolarHBondContact O-N 3.31Å; H164-V166 PolarHBondContact O-N 3.37Å; H164-C167 CarbonylContact O-C 3.52Å; H164-C167 WeakPolarHBondContact O-CB 3.29Å; H164-C167 PolarHBondContact O-N 2.91Å; H164-C167 VanDerWaalsContact O-N 3.11Å; H164-I168 WeakPolarHBondContact NE2-CD1 3.47Å; H164-I168 WeakPolarHBondContact O-CG1 3.37Å; H164-I168 PolarHBondContact O-N 3.3Å; H164-S211 PolarHBondContact ND1-O 3.15Å; H164-S215 WeakPolarHBondContact CA-OG 3.37Å; H164-S215 PolarHBondContact ND1-OG 3Å |
| 165 | E | 93.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 12% | 0.121 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 179.2 | -67.6 | -54.3 | 146 | 0 | 0 | 112.3 | H161 L162 C167 I168 L169 | H161-E165 IonicContact CE1-OE1 2.7Å; H161-E165 PolarHBondContact CE1-OE1 3.12Å; H161-E165 IonicContact ND1-OE1 3.78Å; H161-E165 PolarHBondContact O-N 3.02Å; L162-E165 PolarHBondContact O-N 3.03Å; E165-C167 VanDerWaalsContact C-N 3.32Å; E165-C167 PolarHBondContact O-N 3.43Å; E165-I168 PolarHBondContact O-N 3.23Å; E165-L169 WeakPolarHBondContact O-CG 3.14Å; E165-L169 PolarHBondContact O-N 2.94Å |
| 166 | V | 93.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 171.1 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | I123 L140 L162 H164 L169 L170 I194 | I123-V166 HydrophobicContact CD1-CG2 3.99Å; L140-V166 HydrophobicContact CD2-CG2 4.05Å; L162-V166 HydrophobicContact CD1-CG2 4.28Å; L162-V166 WeakPolarHBondContact O-CB 3.5Å; L162-V166 VanDerWaalsContact O-CG2 3.26Å; L162-V166 WeakPolarHBondContact O-CG2 3.47Å; L162-V166 PolarHBondContact O-N 2.91Å; H164-V166 PolarHBondContact O-N 3.37Å; V166-L169 PolarHBondContact O-N 3.46Å; V166-L170 HydrophobicContact CG1-CD1 3.78Å; V166-L170 HydrophobicContact CG1-CG 4.4Å; V166-L170 WeakPolarHBondContact O-CB 3.24Å; V166-L170 WeakPolarHBondContact O-CD1 3.45Å; V166-L170 WeakPolarHBondContact O-CG 3.46Å; V166-L170 PolarHBondContact O-N 3.08Å; V166-I194 HydrophobicContact CG1-CD1 4.48Å; V166-I194 HydrophobicContact CG1-CG2 3.97Å |
| 167 | C | 94.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -37.4 | 176.5 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | L163 H164 E165 C171 I219 | L163-C167 WeakPolarHBondContact O-CB 3.39Å; L163-C167 PolarHBondContact O-N 3.34Å; L163-C167 PolarHBondContact O-SG 3.3Å; H164-C167 CarbonylContact O-C 3.52Å; H164-C167 WeakPolarHBondContact O-CB 3.29Å; H164-C167 PolarHBondContact O-N 2.91Å; H164-C167 VanDerWaalsContact O-N 3.11Å; E165-C167 VanDerWaalsContact C-N 3.32Å; E165-C167 PolarHBondContact O-N 3.43Å; C167-C171 WeakPolarHBondContact O-CB 3.42Å; C167-C171 PolarHBondContact O-N 2.85Å; C167-C171 PolarHBondContact O-SG 3.43Å; C167-I219 HydrophobicContact CB-CD1 4.28Å |
| 168 | I | 92.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 173.4 | -77.1 | 170.7 | 0 | 0 | 0 | 110.9 | H164 E165 C171 R172 I218 | H164-I168 WeakPolarHBondContact NE2-CD1 3.47Å; H164-I168 WeakPolarHBondContact O-CG1 3.37Å; H164-I168 PolarHBondContact O-N 3.3Å; E165-I168 PolarHBondContact O-N 3.23Å; I168-C171 PolarHBondContact O-N 3.21Å; I168-R172 HydrophobicContact CG2-CG 4.46Å; I168-R172 VanDerWaalsContact CG2-CZ 3.5Å; I168-R172 VanDerWaalsContact CG2-NH1 3.33Å; I168-R172 WeakPolarHBondContact O-CB 3.41Å; I168-R172 WeakPolarHBondContact O-CG 3.23Å; I168-R172 PolarHBondContact O-N 3.29Å; I168-I218 HydrophobicContact CD1-CD1 4.44Å; I168-I218 HydrophobicContact CG1-CD1 3.78Å |
| 169 | L | 91.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.9 | -41.8 | -178.1 | -69.5 | 173.2 | 0 | 0 | 0 | 112.2 | I123 L131 E165 V166 C171 R172 N173 L176 | I123-L169 HydrophobicContact CG2-CD1 3.33Å; L131-L169 HydrophobicContact CD1-CD1 4.02Å; E165-L169 WeakPolarHBondContact O-CG 3.14Å; E165-L169 PolarHBondContact O-N 2.94Å; V166-L169 PolarHBondContact O-N 3.46Å; L169-C171 VanDerWaalsContact C-N 3.28Å; L169-C171 PolarHBondContact O-N 3.25Å; L169-R172 PolarHBondContact O-N 2.69Å; L169-R172 VanDerWaalsContact O-N 3.16Å; L169-N173 PolarHBondContact O-N 3.43Å; L169-L176 HydrophobicContact CB-CD2 4.23Å |
| 170 | L | 92.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -41.1 | 171.5 | -71.6 | 168.1 | 0 | 0 | 0 | 111.9 | V166 R172 L176 L177 S180 I194 F195 | V166-L170 HydrophobicContact CG1-CD1 3.78Å; V166-L170 HydrophobicContact CG1-CG 4.4Å; V166-L170 WeakPolarHBondContact O-CB 3.24Å; V166-L170 WeakPolarHBondContact O-CD1 3.45Å; V166-L170 WeakPolarHBondContact O-CG 3.46Å; V166-L170 PolarHBondContact O-N 3.08Å; L170-R172 VanDerWaalsContact C-N 3.35Å; L170-L176 HydrophobicContact CD2-CG 4.09Å; L170-L177 HydrophobicContact CB-CD1 4.32Å; L170-S180 WeakPolarHBondContact CD2-OG 3.37Å; L170-I194 HydrophobicContact CD1-CB 4.31Å; L170-I194 HydrophobicContact CD1-CD1 3.76Å; L170-I194 HydrophobicContact CD1-CG2 3.95Å; L170-F195 HydrophobicContact CB-CE1 4.19Å; L170-F195 HydrophobicContact CB-CZ 4.33Å; L170-F195 HydrophobicContact CD1-CE1 3.92Å |
| 171 | C | 91 | Very high | 91.8 | Very high | 24 Ų | 24 | 39 Ų | 39 | 16% | 0.162 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -79.3 | -14.5 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 114.3 | C167 I168 L169 I218 L222 | C167-C171 WeakPolarHBondContact O-CB 3.42Å; C167-C171 PolarHBondContact O-N 2.85Å; C167-C171 PolarHBondContact O-SG 3.43Å; I168-C171 PolarHBondContact O-N 3.21Å; L169-C171 VanDerWaalsContact C-N 3.28Å; L169-C171 PolarHBondContact O-N 3.25Å; C171-I218 HydrophobicContact CB-CG2 3.49Å; C171-I218 VanDerWaalsContact CB-CG2 3.49Å; C171-L222 HydrophobicContact CB-CD2 4.18Å |
| 172 | R | 89.8 | Confident | 91.9 | Very high | 151 Ų | 151 | 42.1 Ų | 42.1 | 57% | 0.57 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -91 | -35.2 | 175.6 | -78.5 | 176.6 | 173.5 | 161.4 | 0.9 | 113 | I168 L169 L170 A792 | I168-R172 HydrophobicContact CG2-CG 4.46Å; I168-R172 VanDerWaalsContact CG2-CZ 3.5Å; I168-R172 VanDerWaalsContact CG2-NH1 3.33Å; I168-R172 WeakPolarHBondContact O-CB 3.41Å; I168-R172 WeakPolarHBondContact O-CG 3.23Å; I168-R172 PolarHBondContact O-N 3.29Å; L169-R172 PolarHBondContact O-N 2.69Å; L169-R172 VanDerWaalsContact O-N 3.16Å; L170-R172 VanDerWaalsContact C-N 3.35Å; R172-A792 PolarHBondContact NH2-O 3.09Å; R172-A792 VanDerWaalsContact NH2-O 3.15Å |
| 173 | N | 88.3 | Confident | 91.9 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | trans | -117.1 | 106.1 | -175.7 | -176 | -14.6 | 0 | 0 | 0 | 112 | N129 L169 Q175 L176 L177 | N129-N173 PolarHBondContact OD1-ND2 2.97Å; L169-N173 PolarHBondContact O-N 3.43Å; N173-Q175 VanDerWaalsContact C-N 3.33Å; N173-Q175 PolarHBondContact O-N 2.79Å; N173-Q175 PolarHBondContact OD1-N 3.24Å; N173-L176 HydrophobicContact CB-CB 3.93Å; N173-L176 WeakPolarHBondContact O-CB 3.43Å; N173-L176 PolarHBondContact O-N 3.27Å; N173-L176 VanDerWaalsContact O-N 3.16Å; N173-L176 PolarHBondContact OD1-N 2.95Å; N173-L177 PolarHBondContact O-N 3.3Å | ||
| 174 | F | 86.7 | Confident | 91.8 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 60% | 0.601 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -61.7 | -34.3 | -179.2 | -178.1 | -98.6 | 0 | 0 | 0 | 114 | L176 L177 E178 | F174-L176 VanDerWaalsContact C-N 3.35Å; F174-L177 WeakPolarHBondContact O-CB 3.35Å; F174-L177 PolarHBondContact O-N 3.24Å; F174-E178 HydrophobicContact CE1-CG 3.94Å; F174-E178 HydrophobicContact CE2-CG 4.25Å; F174-E178 HydrophobicContact CZ-CG 3.76Å; F174-E178 PolarHBondContact O-N 2.63Å; F174-E178 VanDerWaalsContact O-N 3.08Å |
| 175 | Q | 89.2 | Confident | 91.7 | Very high | 124 Ų | 124 | 47.1 Ų | 47.1 | 58% | 0.579 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -68.8 | -37.3 | 177 | -174.9 | 178.5 | -0.5 | 0 | 0 | 111.1 | L132 N173 F179 | L132-Q175 HydrophobicContact CD2-CG 4.32Å; N173-Q175 VanDerWaalsContact C-N 3.33Å; N173-Q175 PolarHBondContact O-N 2.79Å; N173-Q175 PolarHBondContact OD1-N 3.24Å; Q175-F179 WeakPolarHBondContact O-CB 3.44Å; Q175-F179 PolarHBondContact O-N 3.04Å |
| 176 | L | 90.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -37.7 | 174 | -178.3 | 63.2 | 0 | 0 | 0 | 111.6 | L131 L132 L169 L170 N173 F174 S180 | L131-L176 VanDerWaalsContact C-CD1 3.42Å; L131-L176 HydrophobicContact CB-CD1 3.6Å; L131-L176 HydrophobicContact CB-CD2 3.92Å; L131-L176 HydrophobicContact CB-CG 4.4Å; L131-L176 HydrophobicContact CD1-CD2 4.26Å; L131-L176 VanDerWaalsContact O-CD1 3.27Å; L131-L176 WeakPolarHBondContact O-CD1 3.26Å; L132-L176 HydrophobicContact CD2-CB 3.94Å; L132-L176 HydrophobicContact CD2-CD1 3.84Å; L132-L176 HydrophobicContact CG-CD1 4.19Å; L169-L176 HydrophobicContact CB-CD2 4.23Å; L170-L176 HydrophobicContact CD2-CG 4.09Å; N173-L176 HydrophobicContact CB-CB 3.93Å; N173-L176 WeakPolarHBondContact O-CB 3.43Å; N173-L176 PolarHBondContact O-N 3.27Å; N173-L176 VanDerWaalsContact O-N 3.16Å; N173-L176 PolarHBondContact OD1-N 2.95Å; F174-L176 VanDerWaalsContact C-N 3.35Å; L176-S180 WeakPolarHBondContact O-CB 3.5Å; L176-S180 PolarHBondContact O-N 2.85Å; L176-S180 PolarHBondContact O-OG 3.11Å |
| 177 | L | 91.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -56.7 | 175.1 | -176.4 | 67.2 | 0 | 0 | 0 | 111.5 | L170 N173 F174 F179 S180 K181 F195 L222 | L170-L177 HydrophobicContact CB-CD1 4.32Å; N173-L177 PolarHBondContact O-N 3.3Å; F174-L177 WeakPolarHBondContact O-CB 3.35Å; F174-L177 PolarHBondContact O-N 3.24Å; L177-F179 VanDerWaalsContact C-N 3.33Å; L177-F179 PolarHBondContact O-N 2.88Å; L177-S180 PolarHBondContact O-N 3Å; L177-S180 PolarHBondContact O-OG 3.47Å; L177-K181 VanDerWaalsContact O-CB 3.29Å; L177-K181 WeakPolarHBondContact O-CB 3.47Å; L177-K181 PolarHBondContact O-N 3.49Å; L177-F195 HydrophobicContact CD1-CE2 4.08Å; L177-F195 HydrophobicContact CD1-CZ 3.7Å; L177-L222 HydrophobicContact CD2-CD2 3.92Å |
| 178 | E | 91.8 | Very high | 91.5 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 179.9 | -70.4 | -63.1 | 130.3 | 0 | 0 | 112 | F174 S180 K181 E182 | F174-E178 HydrophobicContact CE1-CG 3.94Å; F174-E178 HydrophobicContact CE2-CG 4.25Å; F174-E178 HydrophobicContact CZ-CG 3.76Å; F174-E178 PolarHBondContact O-N 2.63Å; F174-E178 VanDerWaalsContact O-N 3.08Å; E178-S180 PolarHBondContact O-N 3.03Å; E178-K181 WeakPolarHBondContact O-CB 3.34Å; E178-K181 PolarHBondContact O-N 3.12Å; E178-K181 VanDerWaalsContact OE1-CD 3.29Å; E178-K181 WeakPolarHBondContact OE1-CD 3.45Å; E178-K181 IonicContact OE1-NZ 3.13Å; E178-K181 PolarHBondContact OE1-NZ 3.48Å; E178-K181 WeakPolarHBondContact OE2-CD 3.4Å; E178-K181 IonicContact OE2-NZ 3.02Å; E178-E182 PolarHBondContact O-N 3.49Å |
| 179 | F | 92.9 | Very high | 91.4 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 23% | 0.232 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 173.5 | 177.8 | -117.8 | 0 | 0 | 0 | 112.6 | L132 R134 L137 Q175 L177 K181 L183 | L132-F179 VanDerWaalsContact O-CE1 3.24Å; L132-F179 WeakPolarHBondContact O-CE1 3.42Å; R134-F179 HydrophobicContact CB-CZ 3.95Å; R134-F179 HydrophobicContact CG-CZ 4.35Å; L137-F179 HydrophobicContact CB-CE1 4.39Å; L137-F179 HydrophobicContact CD2-CD1 3.66Å; L137-F179 HydrophobicContact CD2-CE1 3.62Å; Q175-F179 WeakPolarHBondContact O-CB 3.44Å; Q175-F179 PolarHBondContact O-N 3.04Å; L177-F179 VanDerWaalsContact C-N 3.33Å; L177-F179 PolarHBondContact O-N 2.88Å; F179-K181 VanDerWaalsContact C-N 3.29Å; F179-K181 PolarHBondContact O-N 3.16Å; F179-L183 WeakPolarHBondContact O-CB 3.49Å; F179-L183 PolarHBondContact O-N 3.01Å |
| 180 | S | 92.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -34.4 | 174.7 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | L170 L176 L177 E178 L183 C184 | L170-S180 WeakPolarHBondContact CD2-OG 3.37Å; L176-S180 WeakPolarHBondContact O-CB 3.5Å; L176-S180 PolarHBondContact O-N 2.85Å; L176-S180 PolarHBondContact O-OG 3.11Å; L177-S180 PolarHBondContact O-N 3Å; L177-S180 PolarHBondContact O-OG 3.47Å; E178-S180 PolarHBondContact O-N 3.03Å; S180-L183 PolarHBondContact O-N 2.63Å; S180-C184 VanDerWaalsContact O-CB 3.26Å; S180-C184 WeakPolarHBondContact O-CB 3.29Å; S180-C184 PolarHBondContact O-N 3.4Å; S180-C184 PolarHBondContact O-SG 3.03Å |
| 181 | K | 92.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 65.5 Ų | 65.5 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.5 | -43 | -179.7 | -172.1 | -172.1 | -175.9 | 161.8 | 0 | 111.3 | L177 E178 F179 K185 P191 Y192 S228 | L177-K181 VanDerWaalsContact O-CB 3.29Å; L177-K181 WeakPolarHBondContact O-CB 3.47Å; L177-K181 PolarHBondContact O-N 3.49Å; E178-K181 WeakPolarHBondContact O-CB 3.34Å; E178-K181 PolarHBondContact O-N 3.12Å; E178-K181 VanDerWaalsContact OE1-CD 3.29Å; E178-K181 WeakPolarHBondContact OE1-CD 3.45Å; E178-K181 IonicContact OE1-NZ 3.13Å; E178-K181 PolarHBondContact OE1-NZ 3.48Å; E178-K181 WeakPolarHBondContact OE2-CD 3.4Å; E178-K181 IonicContact OE2-NZ 3.02Å; F179-K181 VanDerWaalsContact C-N 3.29Å; F179-K181 PolarHBondContact O-N 3.16Å; K181-K185 WeakPolarHBondContact O-CB 3.29Å; K181-K185 PolarHBondContact O-N 3.23Å; K181-K185 VanDerWaalsContact O-N 3.09Å; K181-P191 WeakPolarHBondContact CA-O 3.29Å; K181-P191 HydrophobicContact CG-CB 3.63Å; K181-Y192 HydrophobicContact CD-CE1 4.31Å; K181-Y192 WeakPolarHBondContact CE-OH 3.23Å; K181-Y192 HydrophobicContact CG-CE1 4.34Å; K181-Y192 PolarHBondContact NZ-OH 3.28Å; K181-S228 PolarHBondContact NZ-OG 3.43Å |
| 182 | E | 93 | Very high | 91.4 | Very high | 138 Ų | 138 | 64.9 Ų | 64.9 | 65% | 0.645 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.9 | -48.4 | 171 | -70.2 | -171.3 | 150.1 | 0 | 0 | 111.2 | E178 K185 E186 | E178-E182 PolarHBondContact O-N 3.49Å; E182-K185 PolarHBondContact O-N 3.36Å; E182-E186 PolarHBondContact O-N 3.38Å |
| 183 | L | 93.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | -177.6 | -172.1 | 65.4 | 0 | 0 | 0 | 113.1 | R134 L137 Q138 F179 S180 K185 E186 I187 | R134-L183 HydrophobicContact CG-CD1 3.85Å; R134-L183 HydrophobicContact CG-CD2 4.46Å; L137-L183 HydrophobicContact CB-CD2 4.02Å; L137-L183 HydrophobicContact CD2-CD2 3.77Å; L137-L183 HydrophobicContact CG-CD2 3.78Å; Q138-L183 HydrophobicContact CB-CD2 4.32Å; F179-L183 WeakPolarHBondContact O-CB 3.49Å; F179-L183 PolarHBondContact O-N 3.01Å; S180-L183 PolarHBondContact O-N 2.63Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-E186 PolarHBondContact O-N 2.88Å; L183-I187 HydrophobicContact CD1-CD1 3.77Å; L183-I187 HydrophobicContact CD1-CG1 4.38Å; L183-I187 HydrophobicContact CG-CD1 3.84Å; L183-I187 WeakPolarHBondContact O-CG1 3.22Å; L183-I187 PolarHBondContact O-N 3.4Å |
| 184 | C | 93.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.2 | -29.3 | 177 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | S180 F188 N189 Q190 M193 | S180-C184 VanDerWaalsContact O-CB 3.26Å; S180-C184 WeakPolarHBondContact O-CB 3.29Å; S180-C184 PolarHBondContact O-N 3.4Å; S180-C184 PolarHBondContact O-SG 3.03Å; C184-F188 HydrophobicContact CB-CD2 4.21Å; C184-F188 WeakPolarHBondContact O-CA 3.44Å; C184-F188 WeakPolarHBondContact O-CB 3.34Å; C184-F188 PolarHBondContact O-N 3.04Å; C184-N189 PolarHBondContact O-N 2.92Å; C184-Q190 CarbonylContact C-O 3.28Å; C184-Q190 VanDerWaalsContact CB-O 3.31Å; C184-Q190 WeakPolarHBondContact CB-O 3.32Å; C184-Q190 PolarHBondContact O-N 3.35Å; C184-M193 HydrophobicContact CB-CB 4.14Å |
| 185 | K | 91.6 | Very high | 92.1 | Very high | 129 Ų | 129 | 50.7 Ų | 50.7 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.1 | -38.9 | 169.3 | -175.6 | 177.5 | 178.5 | -179.5 | 0 | 112.1 | K181 E182 L183 N189 P191 | K181-K185 WeakPolarHBondContact O-CB 3.29Å; K181-K185 PolarHBondContact O-N 3.23Å; K181-K185 VanDerWaalsContact O-N 3.09Å; E182-K185 PolarHBondContact O-N 3.36Å; L183-K185 VanDerWaalsContact C-N 3.33Å; K185-N189 WeakPolarHBondContact O-CA 3.43Å; K185-N189 PolarHBondContact O-N 3.03Å; K185-N189 VanDerWaalsContact O-N 3.12Å; K185-P191 HydrophobicContact CB-CB 4.43Å |
| 186 | E | 93.2 | Very high | 92.3 | Very high | 131 Ų | 131 | 46 Ų | 46 | 61% | 0.612 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.2 | -49 | 175 | -168.7 | -165.1 | 167.1 | 0 | 0 | 111.8 | R134 E182 L183 | R134-E186 IonicContact CZ-OE2 3.93Å; R134-E186 IonicContact NE-OE2 3.59Å; R134-E186 IonicContact NH2-OE1 2.64Å; R134-E186 PolarHBondContact NH2-OE1 3.49Å; R134-E186 IonicContact NH2-OE2 3.82Å; R134-E186 PolarHBondContact NH2-OE2 3.33Å; E182-E186 PolarHBondContact O-N 3.38Å; L183-E186 PolarHBondContact O-N 2.88Å |
| 187 | I | 91.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 27% | 0.272 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -83 | -40.4 | -171.3 | -61.1 | 170.5 | 0 | 0 | 0 | 112.7 | Q138 Q142 L183 | Q138-I187 HydrophobicContact CB-CD1 4.37Å; Q138-I187 HydrophobicContact CG-CD1 3.83Å; Q142-I187 HydrophobicContact CG-CG2 4.37Å; L183-I187 HydrophobicContact CD1-CD1 3.77Å; L183-I187 HydrophobicContact CD1-CG1 4.38Å; L183-I187 HydrophobicContact CG-CD1 3.84Å; L183-I187 WeakPolarHBondContact O-CG1 3.22Å; L183-I187 PolarHBondContact O-N 3.4Å |
| 188 | F | 91.2 | Very high | 92.5 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 19% | 0.189 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -117.6 | -2.9 | -170.7 | -50.8 | -77.3 | 0 | 0 | 0 | 114.1 | C141 Q142 F145 C184 Q190 M193 | C141-F188 HydrophobicContact CB-CE2 4.11Å; C141-F188 HydrophobicContact CB-CZ 4.48Å; Q142-F188 HydrophobicContact CG-CZ 4.08Å; F145-F188 HydrophobicContact CB-CE1 4.04Å; F145-F188 HydrophobicContact CB-CZ 4.15Å; F145-F188 HydrophobicContact CD1-CD1 4.29Å; F145-F188 AromaticContact CD1-CE1 3.81Å; F145-F188 HydrophobicContact CD1-CE1 3.81Å; F145-F188 HydrophobicContact CD2-CE1 4.46Å; F145-F188 HydrophobicContact CE1-CE1 4.42Å; F145-F188 HydrophobicContact CG-CD1 4.31Å; F145-F188 AromaticContact CG-CE1 3.84Å; F145-F188 HydrophobicContact CG-CE1 3.84Å; F145-F188 HydrophobicContact CG-CZ 4.43Å; C184-F188 HydrophobicContact CB-CD2 4.21Å; C184-F188 WeakPolarHBondContact O-CA 3.44Å; C184-F188 WeakPolarHBondContact O-CB 3.34Å; C184-F188 PolarHBondContact O-N 3.04Å; F188-Q190 PolarHBondContact O-N 2.98Å; F188-Q190 VanDerWaalsContact O-N 3.17Å; F188-M193 HydrophobicContact CB-CE 3.71Å; F188-M193 HydrophobicContact CD1-CE 4.34Å; F188-M193 HydrophobicContact CD2-CB 4.36Å; F188-M193 HydrophobicContact CD2-CG 4.1Å; F188-M193 HydrophobicContact CG-CE 4.05Å; F188-M193 HydrophobicContact CG-CG 4.28Å |
| 189 | N | 91.3 | Very high | 92.5 | Very high | 135 Ų | 135 | 44.4 Ų | 44.4 | 72% | 0.722 | 22% | 0.216 | S | C | * | . | S | Bend | trans | 53 | 27.8 | -168.5 | -166 | 52.6 | 0 | 0 | 0 | 113.5 | C184 K185 | C184-N189 PolarHBondContact O-N 2.92Å; K185-N189 WeakPolarHBondContact O-CA 3.43Å; K185-N189 PolarHBondContact O-N 3.03Å; K185-N189 VanDerWaalsContact O-N 3.12Å |
| 190 | Q | 90.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 46.9 Ų | 46.9 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | trans | -135.3 | 107 | 175.9 | -70.3 | -165.7 | -4.3 | 0 | 0 | 109.6 | C184 F188 Y192 M193 | C184-Q190 CarbonylContact C-O 3.28Å; C184-Q190 VanDerWaalsContact CB-O 3.31Å; C184-Q190 WeakPolarHBondContact CB-O 3.32Å; C184-Q190 PolarHBondContact O-N 3.35Å; F188-Q190 PolarHBondContact O-N 2.98Å; F188-Q190 VanDerWaalsContact O-N 3.17Å; Q190-Y192 VanDerWaalsContact C-N 3.3Å; Q190-Y192 PolarHBondContact O-N 3.33Å; Q190-M193 HydrophobicContact CB-CB 4.21Å; Q190-M193 HydrophobicContact CB-CE 4.11Å; Q190-M193 HydrophobicContact CG-CE 4.25Å; Q190-M193 PolarHBondContact O-N 2.98Å | ||
| 191 | P | 90.2 | Very high | 92.1 | Very high | 29 Ų | 29 | 47 Ų | 47 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -36.7 | -173.7 | 20.9 | -31 | 0 | 0 | 0 | 113.2 | K181 K185 | K181-P191 WeakPolarHBondContact CA-O 3.29Å; K181-P191 HydrophobicContact CG-CB 3.63Å; K185-P191 HydrophobicContact CB-CB 4.43Å |
| 192 | Y | 93.6 | Very high | 92 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 29.3 | -176.5 | -59.3 | -70.7 | 0 | 0 | 0 | 113.4 | K181 Q190 I194 F195 S196 D226 S228 L229 Y232 | K181-Y192 HydrophobicContact CD-CE1 4.31Å; K181-Y192 WeakPolarHBondContact CE-OH 3.23Å; K181-Y192 HydrophobicContact CG-CE1 4.34Å; K181-Y192 PolarHBondContact NZ-OH 3.28Å; Q190-Y192 VanDerWaalsContact C-N 3.3Å; Q190-Y192 PolarHBondContact O-N 3.33Å; Y192-I194 PolarHBondContact O-N 2.87Å; Y192-I194 VanDerWaalsContact O-N 3.1Å; Y192-F195 AromaticContact CD1-CD2 3.83Å; Y192-F195 HydrophobicContact CD1-CD2 3.83Å; Y192-F195 AromaticContact CD1-CE2 3.76Å; Y192-F195 HydrophobicContact CD1-CE2 3.76Å; Y192-F195 HydrophobicContact CE1-CE2 4.36Å; Y192-F195 HydrophobicContact CG-CD2 4.27Å; Y192-F195 PolarHBondContact O-N 3.09Å; Y192-S196 PolarHBondContact O-N 3.49Å; Y192-D226 PolarHBondContact OH-OD2 3.12Å; Y192-S228 PolarHBondContact OH-OG 2.97Å; Y192-L229 HydrophobicContact CD1-CD1 3.88Å; Y192-L229 HydrophobicContact CD2-CD1 4.39Å; Y192-L229 HydrophobicContact CE1-CB 4.22Å; Y192-L229 HydrophobicContact CE1-CD1 3.9Å; Y192-L229 HydrophobicContact CE2-CD1 4.39Å; Y192-L229 HydrophobicContact CG-CD1 4.12Å; Y192-L229 PolarHBondContact OH-N 3.39Å; Y192-Y232 AromaticContact CD2-CD1 3.53Å; Y192-Y232 HydrophobicContact CD2-CD1 3.53Å; Y192-Y232 AromaticContact CD2-CD2 3.75Å; Y192-Y232 HydrophobicContact CD2-CD2 3.75Å; Y192-Y232 HydrophobicContact CD2-CE1 4.09Å; Y192-Y232 HydrophobicContact CD2-CE2 4.3Å; Y192-Y232 AromaticContact CD2-CG 3.36Å; Y192-Y232 HydrophobicContact CD2-CG 3.36Å; Y192-Y232 HydrophobicContact CE2-CD1 4.37Å; Y192-Y232 HydrophobicContact CE2-CD2 4.41Å; Y192-Y232 AromaticContact CE2-CG 3.93Å; Y192-Y232 HydrophobicContact CE2-CG 3.93Å; Y192-Y232 AromaticContact CG-CD1 3.98Å; Y192-Y232 HydrophobicContact CG-CD1 3.98Å; Y192-Y232 HydrophobicContact CG-CE1 4.26Å; Y192-Y232 HydrophobicContact CG-CG 4.27Å |
| 193 | M | 93.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 7% | 0.069 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -46.2 | -44.7 | -177.2 | 175.3 | 56.6 | 82.9 | 0 | 0 | 113.2 | F145 C184 F188 Q190 F195 S196 L197 | F145-M193 HydrophobicContact CD2-CE 3.75Å; F145-M193 HydrophobicContact CD2-CG 4.19Å; F145-M193 HydrophobicContact CD2-SD 3.52Å; F145-M193 VanDerWaalsContact CD2-SD 3.52Å; F145-M193 HydrophobicContact CE2-CE 3.47Å; F145-M193 VanDerWaalsContact CE2-CE 3.47Å; F145-M193 HydrophobicContact CE2-SD 3.73Å; F145-M193 HydrophobicContact CZ-CE 4.38Å; C184-M193 HydrophobicContact CB-CB 4.14Å; F188-M193 HydrophobicContact CB-CE 3.71Å; F188-M193 HydrophobicContact CD1-CE 4.34Å; F188-M193 HydrophobicContact CD2-CB 4.36Å; F188-M193 HydrophobicContact CD2-CG 4.1Å; F188-M193 HydrophobicContact CG-CE 4.05Å; F188-M193 HydrophobicContact CG-CG 4.28Å; Q190-M193 HydrophobicContact CB-CB 4.21Å; Q190-M193 HydrophobicContact CB-CE 4.11Å; Q190-M193 HydrophobicContact CG-CE 4.25Å; Q190-M193 PolarHBondContact O-N 2.98Å; M193-F195 VanDerWaalsContact C-N 3.32Å; M193-F195 PolarHBondContact O-N 2.82Å; M193-S196 WeakPolarHBondContact O-CB 3.43Å; M193-S196 PolarHBondContact O-N 2.96Å; M193-S196 VanDerWaalsContact O-N 3.08Å; M193-L197 WeakPolarHBondContact O-CG 3.33Å; M193-L197 PolarHBondContact O-N 3.35Å; M193-L197 VanDerWaalsContact O-N 3.16Å; M193-L197 HydrophobicContact SD-CD2 4.05Å |
| 194 | I | 92.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | -178.5 | -56.9 | 172.3 | 0 | 0 | 0 | 111.5 | L163 V166 L170 Y192 L197 | L163-I194 HydrophobicContact CD1-CG2 3.83Å; V166-I194 HydrophobicContact CG1-CD1 4.48Å; V166-I194 HydrophobicContact CG1-CG2 3.97Å; L170-I194 HydrophobicContact CD1-CB 4.31Å; L170-I194 HydrophobicContact CD1-CD1 3.76Å; L170-I194 HydrophobicContact CD1-CG2 3.95Å; Y192-I194 PolarHBondContact O-N 2.87Å; Y192-I194 VanDerWaalsContact O-N 3.1Å; I194-L197 WeakPolarHBondContact O-CB 3.49Å; I194-L197 PolarHBondContact O-N 3.4Å |
| 195 | F | 94.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.6 | -35.3 | 177.3 | -57.2 | -21.7 | 0 | 0 | 0 | 111.4 | L170 L177 Y192 M193 L197 L198 I219 L229 | L170-F195 HydrophobicContact CB-CE1 4.19Å; L170-F195 HydrophobicContact CB-CZ 4.33Å; L170-F195 HydrophobicContact CD1-CE1 3.92Å; L177-F195 HydrophobicContact CD1-CE2 4.08Å; L177-F195 HydrophobicContact CD1-CZ 3.7Å; Y192-F195 AromaticContact CD1-CD2 3.83Å; Y192-F195 HydrophobicContact CD1-CD2 3.83Å; Y192-F195 AromaticContact CD1-CE2 3.76Å; Y192-F195 HydrophobicContact CD1-CE2 3.76Å; Y192-F195 HydrophobicContact CE1-CE2 4.36Å; Y192-F195 HydrophobicContact CG-CD2 4.27Å; Y192-F195 PolarHBondContact O-N 3.09Å; M193-F195 VanDerWaalsContact C-N 3.32Å; M193-F195 PolarHBondContact O-N 2.82Å; F195-L197 PolarHBondContact O-N 3.31Å; F195-L198 WeakPolarHBondContact O-CB 3.44Å; F195-L198 PolarHBondContact O-N 3.49Å; F195-L198 VanDerWaalsContact O-N 3.14Å; F195-I219 HydrophobicContact CB-CD1 4.02Å; F195-I219 HydrophobicContact CD1-CD1 3.38Å; F195-I219 HydrophobicContact CD1-CG1 3.86Å; F195-I219 HydrophobicContact CD2-CD1 4.45Å; F195-I219 HydrophobicContact CD2-CG1 4.43Å; F195-I219 HydrophobicContact CD2-CG2 3.93Å; F195-I219 HydrophobicContact CE1-CD1 3.9Å; F195-I219 HydrophobicContact CE1-CG1 3.9Å; F195-I219 HydrophobicContact CE2-CG1 4.47Å; F195-I219 HydrophobicContact CE2-CG2 4.26Å; F195-I219 HydrophobicContact CG-CD1 3.71Å; F195-I219 HydrophobicContact CG-CG1 4.14Å; F195-I219 HydrophobicContact CG-CG2 4.18Å; F195-I219 HydrophobicContact CZ-CG1 4.21Å; F195-L229 HydrophobicContact CD2-CD1 3.77Å; F195-L229 HydrophobicContact CE2-CD1 3.86Å; F195-L229 HydrophobicContact CE2-CD2 4.12Å |
| 196 | S | 92.6 | Very high | 90.4 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.7 | -22.7 | 176 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | Y192 M193 L198 V199 Y232 | Y192-S196 PolarHBondContact O-N 3.49Å; M193-S196 WeakPolarHBondContact O-CB 3.43Å; M193-S196 PolarHBondContact O-N 2.96Å; M193-S196 VanDerWaalsContact O-N 3.08Å; S196-L198 PolarHBondContact O-N 3.16Å; S196-V199 PolarHBondContact O-N 3.08Å; S196-Y232 PolarHBondContact OG-OH 2.88Å |
| 197 | L | 93.4 | Very high | 90.2 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.7 | 172.8 | -56.4 | -171.7 | 0 | 0 | 0 | 113.8 | L144 F145 L163 M193 I194 F195 | L144-L197 HydrophobicContact CB-CD1 3.87Å; F145-L197 HydrophobicContact CD2-CD2 4.14Å; L163-L197 HydrophobicContact CD1-CB 4.36Å; L163-L197 HydrophobicContact CD1-CD1 4.35Å; L163-L197 HydrophobicContact CD2-CB 3.93Å; M193-L197 WeakPolarHBondContact O-CG 3.33Å; M193-L197 PolarHBondContact O-N 3.35Å; M193-L197 VanDerWaalsContact O-N 3.16Å; M193-L197 HydrophobicContact SD-CD2 4.05Å; I194-L197 WeakPolarHBondContact O-CB 3.49Å; I194-L197 PolarHBondContact O-N 3.4Å; F195-L197 PolarHBondContact O-N 3.31Å |
| 198 | L | 93.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -29.3 | 177.6 | -61.7 | 165 | 0 | 0 | 0 | 112.5 | L163 F195 S196 L201 V202 A212 L216 I219 | L163-L198 HydrophobicContact CD2-CD2 3.63Å; L163-L198 HydrophobicContact CD2-CG 4.17Å; L163-L198 HydrophobicContact CG-CD2 3.85Å; L163-L198 HydrophobicContact CG-CG 4.45Å; F195-L198 WeakPolarHBondContact O-CB 3.44Å; F195-L198 PolarHBondContact O-N 3.49Å; F195-L198 VanDerWaalsContact O-N 3.14Å; S196-L198 PolarHBondContact O-N 3.16Å; L198-L201 WeakPolarHBondContact O-CB 3.26Å; L198-L201 PolarHBondContact O-N 2.97Å; L198-V202 WeakPolarHBondContact O-CG2 3.36Å; L198-A212 HydrophobicContact CD2-CB 4.26Å; L198-L216 HydrophobicContact CB-CD1 4.3Å; L198-L216 HydrophobicContact CB-CD2 4.08Å; L198-L216 HydrophobicContact CB-CG 4.03Å; L198-L216 HydrophobicContact CD1-CD2 3.84Å; L198-L216 HydrophobicContact CD1-CG 4.01Å; L198-I219 HydrophobicContact CD1-CD1 3.35Å |
| 199 | V | 91.2 | Very high | 90 | Very high | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -38.7 | -169.6 | -174.6 | 0 | 0 | 0 | 0 | 113.5 | S196 L201 I239 I242 | S196-V199 PolarHBondContact O-N 3.08Å; V199-L201 PolarHBondContact O-N 3.14Å; V199-I239 HydrophobicContact CG1-CB 4.41Å; V199-I239 HydrophobicContact CG1-CD1 4.01Å; V199-I239 HydrophobicContact CG2-CB 4.24Å; V199-I239 HydrophobicContact CG2-CD1 4.2Å; V199-I242 HydrophobicContact CG1-CB 4.26Å; V199-I242 HydrophobicContact CG1-CD1 3.58Å; V199-I242 HydrophobicContact CG1-CG2 4.09Å |
| 200 | P | 88.8 | Confident | 90 | Very high | 105 Ų | 105 | 33.3 Ų | 33.3 | 68% | 0.682 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.3 | 175 | -20.1 | 34.5 | 0 | 0 | 0 | 115 | ||
| 201 | L | 90.2 | Very high | 90 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -20.1 | -171.6 | -55.9 | 174.4 | 0 | 0 | 0 | 113.2 | L151 Y159 L163 L198 V199 H203 R204 L208 A212 | L151-L201 HydrophobicContact CD2-CD2 3.8Å; Y159-L201 HydrophobicContact CE1-CD1 4.29Å; L163-L201 HydrophobicContact CD2-CD1 4.39Å; L198-L201 WeakPolarHBondContact O-CB 3.26Å; L198-L201 PolarHBondContact O-N 2.97Å; V199-L201 PolarHBondContact O-N 3.14Å; L201-H203 VanDerWaalsContact C-N 3.26Å; L201-H203 PolarHBondContact O-N 3.42Å; L201-H203 VanDerWaalsContact O-N 3.12Å; L201-R204 VanDerWaalsContact O-CB 3.32Å; L201-R204 WeakPolarHBondContact O-CB 3.4Å; L201-R204 WeakPolarHBondContact O-CG 3.34Å; L201-R204 PolarHBondContact O-N 2.98Å; L201-L208 HydrophobicContact CD1-CD1 3.93Å; L201-L208 HydrophobicContact CD2-CD1 4.5Å; L201-L208 HydrophobicContact CD2-CD2 4.24Å; L201-L208 HydrophobicContact CD2-CG 4.36Å; L201-A212 HydrophobicContact CB-CB 3.6Å; L201-A212 HydrophobicContact CD1-CB 4.29Å |
| 202 | V | 90.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.4 | -166.9 | -167.5 | 0 | 0 | 0 | 0 | 114.4 | L198 R213 L216 I239 L243 F331 | L198-V202 WeakPolarHBondContact O-CG2 3.36Å; V202-R213 HydrophobicContact CG1-CG 3.85Å; V202-R213 PolarHBondContact O-NH1 3.35Å; V202-L216 HydrophobicContact CB-CD1 4.48Å; V202-L216 HydrophobicContact CG1-CD1 4.34Å; V202-L216 HydrophobicContact CG2-CD1 3.29Å; V202-I239 HydrophobicContact CG2-CD1 4.32Å; V202-L243 HydrophobicContact CG1-CD2 3.79Å; V202-F331 HydrophobicContact CG1-CD1 4.36Å; V202-F331 HydrophobicContact CG1-CE1 3.94Å; V202-F331 HydrophobicContact CG1-CZ 4.19Å |
| 203 | H | 85.5 | Confident | 90.2 | Very high | 49 Ų | 49 | 29.3 Ų | 29.3 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.4 | -179.1 | -61 | -56.4 | 0 | 0 | 0 | 113.6 | L201 N205 I242 | L201-H203 VanDerWaalsContact C-N 3.26Å; L201-H203 PolarHBondContact O-N 3.42Å; L201-H203 VanDerWaalsContact O-N 3.12Å; H203-N205 PolarHBondContact O-ND2 2.84Å; H203-I242 PolarHBondContact NE2-O 3.35Å |
| 204 | R | 86.2 | Confident | 90.3 | Very high | 80 Ų | 80 | 32.2 Ų | 32.2 | 30% | 0.302 | 18% | 0.179 | S | C | . | . | trans | -71.2 | 160.2 | 169.9 | -62.8 | -178.7 | 63.5 | 128.4 | -11 | 111.1 | D156 L201 D206 R213 | D156-R204 IonicContact OD2-CZ 3.35Å; D156-R204 IonicContact OD2-NH1 3.51Å; D156-R204 IonicContact OD2-NH2 3.81Å; D156-R204 PolarHBondContact OD2-NH2 3.46Å; L201-R204 VanDerWaalsContact O-CB 3.32Å; L201-R204 WeakPolarHBondContact O-CB 3.4Å; L201-R204 WeakPolarHBondContact O-CG 3.34Å; L201-R204 PolarHBondContact O-N 2.98Å; R204-D206 WeakPolarHBondContact CB-OD1 3.46Å; R204-D206 IonicContact CZ-OD1 3.72Å; R204-D206 IonicContact CZ-OD2 3.36Å; R204-D206 IonicContact NE-OD1 3.5Å; R204-D206 PolarHBondContact NE-OD1 3.3Å; R204-D206 IonicContact NE-OD2 3.16Å; R204-D206 PolarHBondContact NE-OD2 3.28Å; R204-D206 IonicContact NH2-OD1 2.7Å; R204-D206 IonicContact NH2-OD2 2.72Å; R204-D206 PolarHBondContact NH2-OD2 3.37Å; R204-R213 PolarHBondContact O-NH1 3.39Å; R204-R213 PolarHBondContact O-NH2 3.22Å | ||
| 205 | N | 79.6 | Confident | 90.4 | Very high | 67 Ų | 67 | 31.9 Ų | 31.9 | 36% | 0.358 | 18% | 0.178 | S | C | . | . | trans | -134 | 45.7 | -171.5 | -59 | -74.4 | 0 | 0 | 0 | 110.1 | H203 R324 | H203-N205 PolarHBondContact O-ND2 2.84Å; N205-R324 HydrophobicContact CB-CG 4.25Å; N205-R324 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 206 | D | 86.2 | Confident | 90.5 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -138.5 | 167.2 | 175.5 | 67.9 | -36.3 | 0 | 0 | 0 | 107.8 | Q157 R204 L208 G209 D210 | Q157-D206 PolarHBondContact NE2-OD2 3Å; R204-D206 WeakPolarHBondContact CB-OD1 3.46Å; R204-D206 IonicContact CZ-OD1 3.72Å; R204-D206 IonicContact CZ-OD2 3.36Å; R204-D206 IonicContact NE-OD1 3.5Å; R204-D206 PolarHBondContact NE-OD1 3.3Å; R204-D206 IonicContact NE-OD2 3.16Å; R204-D206 PolarHBondContact NE-OD2 3.28Å; R204-D206 IonicContact NH2-OD1 2.7Å; R204-D206 IonicContact NH2-OD2 2.72Å; R204-D206 PolarHBondContact NH2-OD2 3.37Å; D206-L208 PolarHBondContact O-N 3.17Å; D206-L208 VanDerWaalsContact O-N 3.09Å; D206-G209 WeakPolarHBondContact O-CA 3.25Å; D206-G209 PolarHBondContact O-N 2.99Å; D206-G209 PolarHBondContact OD1-N 3.07Å; D206-D210 PolarHBondContact O-N 2.76Å |
| 207 | P | 87.7 | Confident | 90.6 | Very high | 85 Ų | 85 | 31.7 Ų | 31.7 | 55% | 0.552 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -55.6 | -32.6 | -174.6 | -28.4 | 36.5 | 0 | 0 | 0 | 114.1 | G209 D210 S211 | P207-G209 VanDerWaalsContact C-N 3.33Å; P207-G209 PolarHBondContact O-N 2.89Å; P207-D210 PolarHBondContact O-N 3.24Å; P207-D210 VanDerWaalsContact O-N 3.12Å; P207-S211 PolarHBondContact O-N 2.69Å; P207-S211 PolarHBondContact O-OG 3.3Å |
| 208 | L | 90.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.6 | -42.5 | 169.2 | 172.3 | 59.9 | 0 | 0 | 0 | 113.7 | L151 D156 L201 D206 A212 | L151-L208 HydrophobicContact CD2-CD2 3.88Å; D156-L208 HydrophobicContact CB-CD2 3.78Å; D156-L208 WeakPolarHBondContact O-CD1 3.3Å; L201-L208 HydrophobicContact CD1-CD1 3.93Å; L201-L208 HydrophobicContact CD2-CD1 4.5Å; L201-L208 HydrophobicContact CD2-CD2 4.24Å; L201-L208 HydrophobicContact CD2-CG 4.36Å; D206-L208 PolarHBondContact O-N 3.17Å; D206-L208 VanDerWaalsContact O-N 3.09Å; L208-A212 VanDerWaalsContact O-CB 3.28Å; L208-A212 WeakPolarHBondContact O-CB 3.42Å; L208-A212 PolarHBondContact O-N 2.78Å |
| 209 | G | 90.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.2 | -32.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D206 P207 R213 | D206-G209 WeakPolarHBondContact O-CA 3.25Å; D206-G209 PolarHBondContact O-N 2.99Å; D206-G209 PolarHBondContact OD1-N 3.07Å; P207-G209 VanDerWaalsContact C-N 3.33Å; P207-G209 PolarHBondContact O-N 2.89Å; G209-R213 WeakPolarHBondContact O-CG 3.44Å; G209-R213 PolarHBondContact O-N 2.79Å; G209-R213 PolarHBondContact O-NE 2.72Å |
| 210 | D | 90.2 | Very high | 91.1 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 31% | 0.31 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.9 | -51.3 | 174.8 | -60.9 | -43.2 | 0 | 0 | 0 | 111.1 | D206 P207 A212 R213 D214 H327 | D206-D210 PolarHBondContact O-N 2.76Å; P207-D210 PolarHBondContact O-N 3.24Å; P207-D210 VanDerWaalsContact O-N 3.12Å; D210-A212 PolarHBondContact O-N 3.13Å; D210-R213 WeakPolarHBondContact O-CA 3.33Å; D210-R213 WeakPolarHBondContact O-CB 3.28Å; D210-R213 PolarHBondContact O-N 3.48Å; D210-R213 IonicContact OD1-CZ 3.91Å; D210-R213 IonicContact OD1-NE 2.83Å; D210-R213 PolarHBondContact OD1-NE 3.09Å; D210-R213 IonicContact OD1-NH2 3.8Å; D210-R213 PolarHBondContact OD1-NH2 2.66Å; D210-D214 PolarHBondContact O-N 3.05Å; D210-H327 IonicContact OD1-CE1 2.69Å; D210-H327 PolarHBondContact OD1-CE1 3.09Å; D210-H327 IonicContact OD1-ND1 3.15Å |
| 211 | S | 91.5 | Very high | 91.4 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 21% | 0.21 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.4 | -35.8 | 172.5 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | H164 P207 S215 | H164-S211 PolarHBondContact ND1-O 3.15Å; P207-S211 PolarHBondContact O-N 2.69Å; P207-S211 PolarHBondContact O-OG 3.3Å; S211-S215 WeakPolarHBondContact O-CB 3.36Å; S211-S215 PolarHBondContact O-N 3.45Å; S211-S215 PolarHBondContact O-OG 3.4Å |
| 212 | A | 94.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L198 L201 L208 D210 L216 | L198-A212 HydrophobicContact CD2-CB 4.26Å; L201-A212 HydrophobicContact CB-CB 3.6Å; L201-A212 HydrophobicContact CD1-CB 4.29Å; L208-A212 VanDerWaalsContact O-CB 3.28Å; L208-A212 WeakPolarHBondContact O-CB 3.42Å; L208-A212 PolarHBondContact O-N 2.78Å; D210-A212 PolarHBondContact O-N 3.13Å; A212-L216 WeakPolarHBondContact O-CG 3.26Å; A212-L216 PolarHBondContact O-N 2.88Å; A212-L216 VanDerWaalsContact O-N 3.14Å |
| 213 | R | 93.7 | Very high | 91.9 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 2% | 0.023 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -50.9 | 172.4 | -78.1 | 178.5 | -78.3 | -106.8 | 5.1 | 110.9 | V202 R204 G209 D210 S215 L216 L217 H327 F331 | V202-R213 HydrophobicContact CG1-CG 3.85Å; V202-R213 PolarHBondContact O-NH1 3.35Å; R204-R213 PolarHBondContact O-NH1 3.39Å; R204-R213 PolarHBondContact O-NH2 3.22Å; G209-R213 WeakPolarHBondContact O-CG 3.44Å; G209-R213 PolarHBondContact O-N 2.79Å; G209-R213 PolarHBondContact O-NE 2.72Å; D210-R213 WeakPolarHBondContact O-CA 3.33Å; D210-R213 WeakPolarHBondContact O-CB 3.28Å; D210-R213 PolarHBondContact O-N 3.48Å; D210-R213 IonicContact OD1-CZ 3.91Å; D210-R213 IonicContact OD1-NE 2.83Å; D210-R213 PolarHBondContact OD1-NE 3.09Å; D210-R213 IonicContact OD1-NH2 3.8Å; D210-R213 PolarHBondContact OD1-NH2 2.66Å; R213-S215 VanDerWaalsContact C-N 3.32Å; R213-S215 PolarHBondContact O-N 2.94Å; R213-L216 PolarHBondContact O-N 3.32Å; R213-L217 PolarHBondContact O-N 3.15Å; R213-H327 PolarHBondContact NE-CE1 2.83Å; R213-F331 HydrophobicContact CB-CD2 3.71Å; R213-F331 HydrophobicContact CB-CE2 3.68Å; R213-F331 HydrophobicContact CG-CD2 3.68Å; R213-F331 HydrophobicContact CG-CE2 3.82Å; R213-F331 HydrophobicContact CG-CG 4.18Å; R213-F331 HydrophobicContact CG-CZ 4.43Å; R213-F331 WeakPolarHBondContact O-CE2 3.43Å |
| 214 | D | 93.7 | Very high | 92.3 | Very high | 75 Ų | 75 | 31.4 Ų | 31.4 | 40% | 0.401 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.2 | -38.8 | -178.8 | -72 | -23.4 | 0 | 0 | 0 | 112.4 | D210 L216 L217 I218 | D210-D214 PolarHBondContact O-N 3.05Å; D214-L216 VanDerWaalsContact C-N 3.35Å; D214-L216 PolarHBondContact O-N 3.29Å; D214-L217 PolarHBondContact O-N 3.38Å; D214-I218 WeakPolarHBondContact O-CG1 3.43Å; D214-I218 PolarHBondContact O-N 3.14Å |
| 215 | S | 95.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.2 | -48.3 | 170.7 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | H164 S211 R213 I218 I219 | H164-S215 WeakPolarHBondContact CA-OG 3.37Å; H164-S215 PolarHBondContact ND1-OG 3Å; S211-S215 WeakPolarHBondContact O-CB 3.36Å; S211-S215 PolarHBondContact O-N 3.45Å; S211-S215 PolarHBondContact O-OG 3.4Å; R213-S215 VanDerWaalsContact C-N 3.32Å; R213-S215 PolarHBondContact O-N 2.94Å; S215-I218 PolarHBondContact O-N 3.09Å; S215-I219 WeakPolarHBondContact O-CD1 3.47Å; S215-I219 WeakPolarHBondContact O-CG1 3.46Å; S215-I219 PolarHBondContact O-N 2.81Å |
| 216 | L | 96 | Very high | 93.3 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -34.9 | -179.8 | -74.8 | 175.1 | 0 | 0 | 0 | 112.9 | L198 V202 A212 R213 D214 I218 I219 F220 I239 F331 | L198-L216 HydrophobicContact CB-CD1 4.3Å; L198-L216 HydrophobicContact CB-CD2 4.08Å; L198-L216 HydrophobicContact CB-CG 4.03Å; L198-L216 HydrophobicContact CD1-CD2 3.84Å; L198-L216 HydrophobicContact CD1-CG 4.01Å; V202-L216 HydrophobicContact CB-CD1 4.48Å; V202-L216 HydrophobicContact CG1-CD1 4.34Å; V202-L216 HydrophobicContact CG2-CD1 3.29Å; A212-L216 WeakPolarHBondContact O-CG 3.26Å; A212-L216 PolarHBondContact O-N 2.88Å; A212-L216 VanDerWaalsContact O-N 3.14Å; R213-L216 PolarHBondContact O-N 3.32Å; D214-L216 VanDerWaalsContact C-N 3.35Å; D214-L216 PolarHBondContact O-N 3.29Å; L216-I218 VanDerWaalsContact C-N 3.28Å; L216-I218 PolarHBondContact O-N 3.42Å; L216-I219 HydrophobicContact CD2-CD1 4.23Å; L216-I219 PolarHBondContact O-N 3.26Å; L216-F220 HydrophobicContact CB-CD2 4.31Å; L216-F220 HydrophobicContact CB-CE2 4.05Å; L216-F220 WeakPolarHBondContact O-CB 3.29Å; L216-F220 WeakPolarHBondContact O-CD2 3.15Å; L216-F220 WeakPolarHBondContact O-CG 3.36Å; L216-F220 PolarHBondContact O-N 3.48Å; L216-I239 HydrophobicContact CD1-CD1 3.94Å; L216-F331 HydrophobicContact CB-CE2 4.36Å; L216-F331 HydrophobicContact CB-CZ 3.92Å; L216-F331 HydrophobicContact CD1-CZ 4.25Å |
| 217 | L | 95.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -40.6 | 173.6 | -67.6 | 177.2 | 0 | 0 | 0 | 111.4 | R213 D214 G221 F331 L334 I338 | R213-L217 PolarHBondContact O-N 3.15Å; D214-L217 PolarHBondContact O-N 3.38Å; L217-G221 PolarHBondContact O-N 3.2Å; L217-F331 HydrophobicContact CD2-CD2 3.95Å; L217-F331 HydrophobicContact CD2-CE2 3.77Å; L217-F331 HydrophobicContact CG-CD2 4.18Å; L217-F331 HydrophobicContact CG-CE2 3.84Å; L217-L334 HydrophobicContact CD1-CD2 4.05Å; L217-L334 HydrophobicContact CD2-CB 4.08Å; L217-L334 HydrophobicContact CD2-CD2 4.4Å; L217-I338 HydrophobicContact CB-CD1 4.03Å; L217-I338 HydrophobicContact CD2-CD1 3.82Å; L217-I338 VanDerWaalsContact O-CD1 3.23Å; L217-I338 WeakPolarHBondContact O-CD1 3.48Å |
| 218 | I | 95.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 34 Ų | 34 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.9 | -44 | 176.2 | -60.8 | 170.1 | 0 | 0 | 0 | 110.6 | I168 C171 D214 S215 L216 G221 L222 | I168-I218 HydrophobicContact CD1-CD1 4.44Å; I168-I218 HydrophobicContact CG1-CD1 3.78Å; C171-I218 HydrophobicContact CB-CG2 3.49Å; C171-I218 VanDerWaalsContact CB-CG2 3.49Å; D214-I218 WeakPolarHBondContact O-CG1 3.43Å; D214-I218 PolarHBondContact O-N 3.14Å; S215-I218 PolarHBondContact O-N 3.09Å; L216-I218 VanDerWaalsContact C-N 3.28Å; L216-I218 PolarHBondContact O-N 3.42Å; I218-G221 CarbonylContact O-C 3.3Å; I218-G221 PolarHBondContact O-N 2.68Å; I218-L222 PolarHBondContact O-N 2.7Å |
| 219 | I | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.3 | -68.6 | 159.5 | 0 | 0 | 0 | 111.5 | C167 F195 L198 S215 L216 L222 S223 L229 L233 | C167-I219 HydrophobicContact CB-CD1 4.28Å; F195-I219 HydrophobicContact CB-CD1 4.02Å; F195-I219 HydrophobicContact CD1-CD1 3.38Å; F195-I219 HydrophobicContact CD1-CG1 3.86Å; F195-I219 HydrophobicContact CD2-CD1 4.45Å; F195-I219 HydrophobicContact CD2-CG1 4.43Å; F195-I219 HydrophobicContact CD2-CG2 3.93Å; F195-I219 HydrophobicContact CE1-CD1 3.9Å; F195-I219 HydrophobicContact CE1-CG1 3.9Å; F195-I219 HydrophobicContact CE2-CG1 4.47Å; F195-I219 HydrophobicContact CE2-CG2 4.26Å; F195-I219 HydrophobicContact CG-CD1 3.71Å; F195-I219 HydrophobicContact CG-CG1 4.14Å; F195-I219 HydrophobicContact CG-CG2 4.18Å; F195-I219 HydrophobicContact CZ-CG1 4.21Å; L198-I219 HydrophobicContact CD1-CD1 3.35Å; S215-I219 WeakPolarHBondContact O-CD1 3.47Å; S215-I219 WeakPolarHBondContact O-CG1 3.46Å; S215-I219 PolarHBondContact O-N 2.81Å; L216-I219 HydrophobicContact CD2-CD1 4.23Å; L216-I219 PolarHBondContact O-N 3.26Å; I219-L222 WeakPolarHBondContact O-CB 3.3Å; I219-L222 PolarHBondContact O-N 3.35Å; I219-S223 PolarHBondContact O-N 2.83Å; I219-L229 HydrophobicContact CG2-CD1 4.41Å; I219-L229 HydrophobicContact CG2-CD2 4.25Å; I219-L233 HydrophobicContact CG2-CD1 3.97Å |
| 220 | F | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 173 | -70.6 | -49.9 | 0 | 0 | 0 | 111.4 | L216 L222 S223 N224 L233 I239 L243 F331 T335 I338 A339 V343 | L216-F220 HydrophobicContact CB-CD2 4.31Å; L216-F220 HydrophobicContact CB-CE2 4.05Å; L216-F220 WeakPolarHBondContact O-CB 3.29Å; L216-F220 WeakPolarHBondContact O-CD2 3.15Å; L216-F220 WeakPolarHBondContact O-CG 3.36Å; L216-F220 PolarHBondContact O-N 3.48Å; F220-L222 PolarHBondContact O-N 3.47Å; F220-S223 WeakPolarHBondContact O-CB 3.43Å; F220-S223 PolarHBondContact O-N 2.9Å; F220-S223 VanDerWaalsContact O-N 3.09Å; F220-S223 PolarHBondContact O-OG 3.09Å; F220-N224 PolarHBondContact O-N 3.16Å; F220-L233 HydrophobicContact CD1-CD1 4.04Å; F220-L233 HydrophobicContact CE1-CD1 4.24Å; F220-I239 HydrophobicContact CZ-CG1 3.85Å; F220-L243 HydrophobicContact CZ-CD1 4.36Å; F220-F331 HydrophobicContact CE2-CE1 4.35Å; F220-F331 AromaticContact CE2-CZ 3.98Å; F220-F331 HydrophobicContact CE2-CZ 3.98Å; F220-T335 HydrophobicContact CD1-CG2 4.14Å; F220-T335 HydrophobicContact CD2-CG2 3.53Å; F220-T335 HydrophobicContact CE1-CG2 4.07Å; F220-T335 HydrophobicContact CE2-CG2 3.43Å; F220-T335 VanDerWaalsContact CE2-CG2 3.43Å; F220-T335 HydrophobicContact CG-CG2 3.9Å; F220-T335 HydrophobicContact CZ-CG2 3.72Å; F220-I338 HydrophobicContact CB-CD1 4.28Å; F220-I338 HydrophobicContact CB-CG1 3.98Å; F220-A339 HydrophobicContact CB-CB 3.96Å; F220-A339 HydrophobicContact CD1-CB 4.02Å; F220-A339 HydrophobicContact CG-CB 4.2Å; F220-V343 HydrophobicContact CD1-CG1 3.97Å; F220-V343 HydrophobicContact CE1-CG1 3.71Å |
| 221 | G | 95.6 | Very high | 94.7 | Very high | 21 Ų | 21 | 36 Ų | 36 | 22% | 0.216 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -16.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | L217 I218 K225 | L217-G221 PolarHBondContact O-N 3.2Å; I218-G221 CarbonylContact O-C 3.3Å; I218-G221 PolarHBondContact O-N 2.68Å; G221-K225 WeakPolarHBondContact O-CE 3.2Å; G221-K225 PolarHBondContact O-NZ 2.97Å |
| 222 | L | 94.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -83.9 | -38.7 | 167.9 | 178.3 | 67.6 | 0 | 0 | 0 | 111.9 | C171 L177 I218 I219 F220 N224 K225 D226 L229 | C171-L222 HydrophobicContact CB-CD2 4.18Å; L177-L222 HydrophobicContact CD2-CD2 3.92Å; I218-L222 PolarHBondContact O-N 2.7Å; I219-L222 WeakPolarHBondContact O-CB 3.3Å; I219-L222 PolarHBondContact O-N 3.35Å; F220-L222 PolarHBondContact O-N 3.47Å; L222-N224 PolarHBondContact O-N 2.63Å; L222-N224 VanDerWaalsContact O-N 3.13Å; L222-K225 WeakPolarHBondContact O-CA 2.86Å; L222-K225 WeakPolarHBondContact O-CB 3.41Å; L222-K225 PolarHBondContact O-N 3Å; L222-D226 PolarHBondContact O-N 3.32Å; L222-L229 HydrophobicContact CB-CD2 4.17Å; L222-L229 HydrophobicContact CD2-CD2 3.69Å; L222-L229 HydrophobicContact CG-CD2 3.84Å |
| 223 | S | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.8 | -27.9 | 179.3 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | I219 F220 K225 D226 H340 | I219-S223 PolarHBondContact O-N 2.83Å; F220-S223 WeakPolarHBondContact O-CB 3.43Å; F220-S223 PolarHBondContact O-N 2.9Å; F220-S223 VanDerWaalsContact O-N 3.09Å; F220-S223 PolarHBondContact O-OG 3.09Å; S223-K225 PolarHBondContact O-N 3.37Å; S223-D226 CarbonylContact O-C 3.5Å; S223-D226 VanDerWaalsContact O-O 3.1Å; S223-H340 WeakPolarHBondContact O-CB 3.22Å; S223-H340 PolarHBondContact O-CD2 3.43Å; S223-H340 PolarHBondContact OG-N 2.95Å |
| 224 | N | 94.1 | Very high | 95 | Very high | 88 Ų | 88 | 35.2 Ų | 35.2 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 12.1 | 173.6 | -160 | 19.5 | 0 | 0 | 0 | 113.7 | F220 L222 I338 | F220-N224 PolarHBondContact O-N 3.16Å; L222-N224 PolarHBondContact O-N 2.63Å; L222-N224 VanDerWaalsContact O-N 3.13Å; N224-I338 WeakPolarHBondContact CB-O 3.49Å |
| 225 | K | 92.5 | Very high | 95.1 | Very high | 157 Ų | 157 | 38.1 Ų | 38.1 | 68% | 0.683 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134.3 | -30.7 | 177 | -54.3 | 168.1 | -168.9 | 150.3 | 0 | 112.1 | G221 L222 S223 | G221-K225 WeakPolarHBondContact O-CE 3.2Å; G221-K225 PolarHBondContact O-NZ 2.97Å; L222-K225 WeakPolarHBondContact O-CA 2.86Å; L222-K225 WeakPolarHBondContact O-CB 3.41Å; L222-K225 PolarHBondContact O-N 3Å; S223-K225 PolarHBondContact O-N 3.37Å |
| 226 | D | 93.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | trans | -108.8 | 99.7 | 170.4 | 172.9 | 13.8 | 0 | 0 | 0 | 110.1 | Y192 L222 S223 S228 L229 G230 | Y192-D226 PolarHBondContact OH-OD2 3.12Å; L222-D226 PolarHBondContact O-N 3.32Å; S223-D226 CarbonylContact O-C 3.5Å; S223-D226 VanDerWaalsContact O-O 3.1Å; D226-S228 PolarHBondContact O-N 3.24Å; D226-S228 VanDerWaalsContact O-N 3.12Å; D226-S228 WeakPolarHBondContact OD1-CA 3.06Å; D226-S228 VanDerWaalsContact OD1-CB 3.31Å; D226-S228 WeakPolarHBondContact OD1-CB 3.16Å; D226-S228 PolarHBondContact OD1-N 3.12Å; D226-S228 PolarHBondContact OD1-OG 3.3Å; D226-S228 PolarHBondContact OD2-OG 2.86Å; D226-L229 HydrophobicContact CB-CB 4.11Å; D226-L229 PolarHBondContact O-N 3.28Å; D226-L229 PolarHBondContact OD1-N 3.24Å; D226-L229 VanDerWaalsContact OD2-CB 3.26Å; D226-L229 WeakPolarHBondContact OD2-CB 3.09Å; D226-L229 PolarHBondContact OD2-N 3.34Å; D226-G230 PolarHBondContact O-N 3.49Å | ||
| 227 | D | 93.7 | Very high | 94.8 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 53% | 0.529 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.9 | -26.6 | 177.2 | -60.5 | -3.7 | 0 | 0 | 0 | 112.7 | G230 Q231 | D227-G230 PolarHBondContact O-N 3.3Å; D227-Q231 VanDerWaalsContact O-CG 3.29Å; D227-Q231 WeakPolarHBondContact O-CG 3.47Å; D227-Q231 PolarHBondContact O-N 3.21Å; D227-Q231 PolarHBondContact O-NE2 3.34Å |
| 228 | S | 93.7 | Very high | 94.6 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -77.4 | -39.7 | -179.6 | 76.3 | 0 | 0 | 0 | 0 | 112.1 | K181 Y192 D226 G230 Q231 Y232 | K181-S228 PolarHBondContact NZ-OG 3.43Å; Y192-S228 PolarHBondContact OH-OG 2.97Å; D226-S228 PolarHBondContact O-N 3.24Å; D226-S228 VanDerWaalsContact O-N 3.12Å; D226-S228 WeakPolarHBondContact OD1-CA 3.06Å; D226-S228 VanDerWaalsContact OD1-CB 3.31Å; D226-S228 WeakPolarHBondContact OD1-CB 3.16Å; D226-S228 PolarHBondContact OD1-N 3.12Å; D226-S228 PolarHBondContact OD1-OG 3.3Å; D226-S228 PolarHBondContact OD2-OG 2.86Å; S228-G230 VanDerWaalsContact C-N 3.34Å; S228-Q231 PolarHBondContact O-N 3.37Å; S228-Y232 WeakPolarHBondContact O-CB 3.46Å; S228-Y232 PolarHBondContact O-N 3.41Å |
| 229 | L | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 166.1 | 177.1 | 62.9 | 0 | 0 | 0 | 111.3 | Y192 F195 I219 L222 D226 Q231 Y232 L233 | Y192-L229 HydrophobicContact CD1-CD1 3.88Å; Y192-L229 HydrophobicContact CD2-CD1 4.39Å; Y192-L229 HydrophobicContact CE1-CB 4.22Å; Y192-L229 HydrophobicContact CE1-CD1 3.9Å; Y192-L229 HydrophobicContact CE2-CD1 4.39Å; Y192-L229 HydrophobicContact CG-CD1 4.12Å; Y192-L229 PolarHBondContact OH-N 3.39Å; F195-L229 HydrophobicContact CD2-CD1 3.77Å; F195-L229 HydrophobicContact CE2-CD1 3.86Å; F195-L229 HydrophobicContact CE2-CD2 4.12Å; I219-L229 HydrophobicContact CG2-CD1 4.41Å; I219-L229 HydrophobicContact CG2-CD2 4.25Å; L222-L229 HydrophobicContact CB-CD2 4.17Å; L222-L229 HydrophobicContact CD2-CD2 3.69Å; L222-L229 HydrophobicContact CG-CD2 3.84Å; D226-L229 HydrophobicContact CB-CB 4.11Å; D226-L229 PolarHBondContact O-N 3.28Å; D226-L229 PolarHBondContact OD1-N 3.24Å; D226-L229 VanDerWaalsContact OD2-CB 3.26Å; D226-L229 WeakPolarHBondContact OD2-CB 3.09Å; D226-L229 PolarHBondContact OD2-N 3.34Å; L229-Q231 VanDerWaalsContact C-N 3.32Å; L229-Q231 PolarHBondContact O-N 2.91Å; L229-Y232 PolarHBondContact O-N 3.46Å; L229-L233 HydrophobicContact CD1-CD1 3.8Å; L229-L233 HydrophobicContact CD1-CD2 4.39Å; L229-L233 HydrophobicContact CD1-CG 3.86Å; L229-L233 HydrophobicContact CG-CD1 3.83Å; L229-L233 HydrophobicContact CG-CG 4.31Å; L229-L233 WeakPolarHBondContact O-CB 3.49Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.03Å |
| 230 | G | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -32.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D226 D227 S228 A234 V343 | D226-G230 PolarHBondContact O-N 3.49Å; D227-G230 PolarHBondContact O-N 3.3Å; S228-G230 VanDerWaalsContact C-N 3.34Å; G230-A234 WeakPolarHBondContact O-CB 3.2Å; G230-V343 VanDerWaalsContact O-CG2 3.28Å; G230-V343 WeakPolarHBondContact O-CG2 3.36Å |
| 231 | Q | 95.7 | Very high | 94.5 | Very high | 101 Ų | 101 | 48 Ų | 48 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78 | -42.8 | 172.1 | -73.6 | 168.2 | 48.7 | 0 | 0 | 111.6 | D227 S228 L229 L233 A234 Y235 | D227-Q231 VanDerWaalsContact O-CG 3.29Å; D227-Q231 WeakPolarHBondContact O-CG 3.47Å; D227-Q231 PolarHBondContact O-N 3.21Å; D227-Q231 PolarHBondContact O-NE2 3.34Å; S228-Q231 PolarHBondContact O-N 3.37Å; L229-Q231 VanDerWaalsContact C-N 3.32Å; L229-Q231 PolarHBondContact O-N 2.91Å; Q231-L233 PolarHBondContact O-N 2.96Å; Q231-A234 PolarHBondContact O-N 3.14Å; Q231-Y235 PolarHBondContact O-N 3.35Å |
| 232 | Y | 95.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -55.6 | -52.1 | 176.7 | 178.2 | -100.1 | 0 | 0 | 0 | 112.2 | Y192 S196 S228 L229 A234 Y235 E236 S237 | Y192-Y232 AromaticContact CD2-CD1 3.53Å; Y192-Y232 HydrophobicContact CD2-CD1 3.53Å; Y192-Y232 AromaticContact CD2-CD2 3.75Å; Y192-Y232 HydrophobicContact CD2-CD2 3.75Å; Y192-Y232 HydrophobicContact CD2-CE1 4.09Å; Y192-Y232 HydrophobicContact CD2-CE2 4.3Å; Y192-Y232 AromaticContact CD2-CG 3.36Å; Y192-Y232 HydrophobicContact CD2-CG 3.36Å; Y192-Y232 HydrophobicContact CE2-CD1 4.37Å; Y192-Y232 HydrophobicContact CE2-CD2 4.41Å; Y192-Y232 AromaticContact CE2-CG 3.93Å; Y192-Y232 HydrophobicContact CE2-CG 3.93Å; Y192-Y232 AromaticContact CG-CD1 3.98Å; Y192-Y232 HydrophobicContact CG-CD1 3.98Å; Y192-Y232 HydrophobicContact CG-CE1 4.26Å; Y192-Y232 HydrophobicContact CG-CG 4.27Å; S196-Y232 PolarHBondContact OG-OH 2.88Å; S228-Y232 WeakPolarHBondContact O-CB 3.46Å; S228-Y232 PolarHBondContact O-N 3.41Å; L229-Y232 PolarHBondContact O-N 3.46Å; Y232-A234 PolarHBondContact O-N 2.62Å; Y232-Y235 PolarHBondContact O-N 2.86Å; Y232-E236 HydrophobicContact CD2-CB 3.48Å; Y232-E236 VanDerWaalsContact CD2-CB 3.48Å; Y232-E236 HydrophobicContact CD2-CG 4.31Å; Y232-E236 WeakPolarHBondContact CD2-OE2 3.38Å; Y232-E236 HydrophobicContact CE2-CB 3.7Å; Y232-E236 HydrophobicContact CG-CB 4.31Å; Y232-E236 CarbonylContact O-C 3.59Å; Y232-E236 WeakPolarHBondContact O-CA 3.48Å; Y232-E236 PolarHBondContact O-N 2.98Å; Y232-S237 WeakPolarHBondContact O-CB 3.4Å; Y232-S237 PolarHBondContact O-N 3.37Å |
| 233 | L | 96 | Very high | 94.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -66.8 | -17.6 | -178.3 | -66.9 | 171.8 | 0 | 0 | 0 | 114 | I219 F220 L229 Q231 I239 C240 V343 | I219-L233 HydrophobicContact CG2-CD1 3.97Å; F220-L233 HydrophobicContact CD1-CD1 4.04Å; F220-L233 HydrophobicContact CE1-CD1 4.24Å; L229-L233 HydrophobicContact CD1-CD1 3.8Å; L229-L233 HydrophobicContact CD1-CD2 4.39Å; L229-L233 HydrophobicContact CD1-CG 3.86Å; L229-L233 HydrophobicContact CG-CD1 3.83Å; L229-L233 HydrophobicContact CG-CG 4.31Å; L229-L233 WeakPolarHBondContact O-CB 3.49Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.03Å; Q231-L233 PolarHBondContact O-N 2.96Å; L233-I239 HydrophobicContact CD2-CG2 4.18Å; L233-I239 WeakPolarHBondContact O-CG2 3.39Å; L233-C240 PolarHBondContact O-SG 3.19Å; L233-C240 VanDerWaalsContact O-SG 3.35Å; L233-V343 HydrophobicContact CB-CG1 4.43Å; L233-V343 HydrophobicContact CB-CG2 3.63Å |
| 234 | A | 95.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -94.2 | -36.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G230 Q231 Y232 H342 V343 Q346 | G230-A234 WeakPolarHBondContact O-CB 3.2Å; Q231-A234 PolarHBondContact O-N 3.14Å; Y232-A234 PolarHBondContact O-N 2.62Å; A234-H342 HydrophobicContact CB-CB 3.81Å; A234-V343 HydrophobicContact CB-CG2 4.07Å; A234-Q346 WeakPolarHBondContact O-CG 3.48Å; A234-Q346 PolarHBondContact O-NE2 3.12Å |
| 235 | Y | 95.1 | Very high | 94.3 | Very high | 135 Ų | 135 | 48.6 Ų | 48.6 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -128.7 | -18.7 | -165.9 | -55.4 | -54.6 | 0 | 0 | 0 | 115.6 | Q231 Y232 H342 | Q231-Y235 PolarHBondContact O-N 3.35Å; Y232-Y235 PolarHBondContact O-N 2.86Å; Y235-H342 HydrophobicContact CE2-CB 4.04Å; Y235-H342 PolarHBondContact OH-ND1 3.03Å |
| 236 | E | 92.4 | Very high | 94.3 | Very high | 142 Ų | 142 | 41.7 Ų | 41.7 | 66% | 0.664 | 22% | 0.217 | S | C | * | . | I | π-helix | trans | -113.2 | -10.7 | 178.7 | -66.7 | -178.1 | -152 | 0 | 0 | 113.3 | Y232 | Y232-E236 HydrophobicContact CD2-CB 3.48Å; Y232-E236 VanDerWaalsContact CD2-CB 3.48Å; Y232-E236 HydrophobicContact CD2-CG 4.31Å; Y232-E236 WeakPolarHBondContact CD2-OE2 3.38Å; Y232-E236 HydrophobicContact CE2-CB 3.7Å; Y232-E236 HydrophobicContact CG-CB 4.31Å; Y232-E236 CarbonylContact O-C 3.59Å; Y232-E236 WeakPolarHBondContact O-CA 3.48Å; Y232-E236 PolarHBondContact O-N 2.98Å |
| 237 | S | 92.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | trans | -114.5 | 132.7 | -178.3 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | Y232 I239 | Y232-S237 WeakPolarHBondContact O-CB 3.4Å; Y232-S237 PolarHBondContact O-N 3.37Å; S237-I239 PolarHBondContact O-N 2.91Å; S237-I239 VanDerWaalsContact O-N 3.09Å | ||
| 238 | D | 92.6 | Very high | 94.4 | Very high | 114 Ų | 114 | 36.7 Ų | 36.7 | 61% | 0.61 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 4 | 176.3 | -65.7 | -55.9 | 0 | 0 | 0 | 114.3 | C240 P241 I242 | D238-C240 PolarHBondContact O-N 2.93Å; D238-P241 HydrophobicContact CB-CG 4.42Å; D238-P241 WeakPolarHBondContact O-CD 3.27Å; D238-P241 VanDerWaalsContact O-CG 3.28Å; D238-P241 WeakPolarHBondContact O-CG 3.31Å; D238-I242 HydrophobicContact CB-CD1 3.63Å; D238-I242 HydrophobicContact CB-CG1 4.21Å; D238-I242 VanDerWaalsContact O-CB 3.24Å; D238-I242 WeakPolarHBondContact O-CB 3.29Å; D238-I242 VanDerWaalsContact O-CG1 3.22Å; D238-I242 WeakPolarHBondContact O-CG1 3.38Å; D238-I242 PolarHBondContact O-N 3.44Å |
| 239 | I | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.9 | -46.8 | -178.1 | -175.9 | 57.6 | 0 | 0 | 0 | 112.5 | V199 V202 L216 F220 L233 S237 I242 L243 | V199-I239 HydrophobicContact CG1-CB 4.41Å; V199-I239 HydrophobicContact CG1-CD1 4.01Å; V199-I239 HydrophobicContact CG2-CB 4.24Å; V199-I239 HydrophobicContact CG2-CD1 4.2Å; V202-I239 HydrophobicContact CG2-CD1 4.32Å; L216-I239 HydrophobicContact CD1-CD1 3.94Å; F220-I239 HydrophobicContact CZ-CG1 3.85Å; L233-I239 HydrophobicContact CD2-CG2 4.18Å; L233-I239 WeakPolarHBondContact O-CG2 3.39Å; S237-I239 PolarHBondContact O-N 2.91Å; S237-I239 VanDerWaalsContact O-N 3.09Å; I239-I242 PolarHBondContact O-N 3.39Å; I239-L243 HydrophobicContact CD1-CD1 4.1Å; I239-L243 HydrophobicContact CD1-CD2 4.09Å; I239-L243 HydrophobicContact CD1-CG 3.87Å; I239-L243 HydrophobicContact CG1-CD1 4.1Å; I239-L243 HydrophobicContact CG1-CG 4.29Å; I239-L243 VanDerWaalsContact O-CG 3.29Å; I239-L243 WeakPolarHBondContact O-CG 3.3Å; I239-L243 PolarHBondContact O-N 2.94Å |
| 240 | C | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -50.7 | -179.2 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | L233 D238 A244 Q346 F350 | L233-C240 PolarHBondContact O-SG 3.19Å; L233-C240 VanDerWaalsContact O-SG 3.35Å; D238-C240 PolarHBondContact O-N 2.93Å; C240-A244 PolarHBondContact O-N 3.25Å; C240-Q346 HydrophobicContact CB-CG 4.18Å; C240-F350 HydrophobicContact CB-CD2 3.79Å; C240-F350 HydrophobicContact CB-CE2 4.16Å |
| 241 | P | 94.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 20% | 0.195 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -31.8 | 174.6 | 23.8 | -31.3 | 0 | 0 | 0 | 113.5 | D238 A244 T245 F350 | D238-P241 HydrophobicContact CB-CG 4.42Å; D238-P241 WeakPolarHBondContact O-CD 3.27Å; D238-P241 VanDerWaalsContact O-CG 3.28Å; D238-P241 WeakPolarHBondContact O-CG 3.31Å; P241-A244 PolarHBondContact O-N 3.05Å; P241-T245 WeakPolarHBondContact O-CB 3.22Å; P241-T245 WeakPolarHBondContact O-CG2 3.4Å; P241-T245 PolarHBondContact O-N 3.41Å; P241-T245 PolarHBondContact O-OG1 3.24Å; P241-F350 HydrophobicContact CB-CD1 4.06Å; P241-F350 HydrophobicContact CB-CD2 4.24Å; P241-F350 HydrophobicContact CB-CE1 3.97Å; P241-F350 HydrophobicContact CB-CE2 4.15Å; P241-F350 HydrophobicContact CB-CG 4.2Å; P241-F350 HydrophobicContact CB-CZ 4.01Å; P241-F350 HydrophobicContact CG-CE2 4.13Å; P241-F350 HydrophobicContact CG-CZ 4.16Å |
| 242 | I | 94 | Very high | 94.2 | Very high | 58 Ų | 58 | 37.5 Ų | 37.5 | 30% | 0.297 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.9 | -35.1 | 177 | -73.5 | 170.2 | 0 | 0 | 0 | 111.8 | V199 H203 D238 I239 T245 G246 | V199-I242 HydrophobicContact CG1-CB 4.26Å; V199-I242 HydrophobicContact CG1-CD1 3.58Å; V199-I242 HydrophobicContact CG1-CG2 4.09Å; H203-I242 PolarHBondContact NE2-O 3.35Å; D238-I242 HydrophobicContact CB-CD1 3.63Å; D238-I242 HydrophobicContact CB-CG1 4.21Å; D238-I242 VanDerWaalsContact O-CB 3.24Å; D238-I242 WeakPolarHBondContact O-CB 3.29Å; D238-I242 VanDerWaalsContact O-CG1 3.22Å; D238-I242 WeakPolarHBondContact O-CG1 3.38Å; D238-I242 PolarHBondContact O-N 3.44Å; I239-I242 PolarHBondContact O-N 3.39Å; I242-T245 WeakPolarHBondContact CA-OG1 3.49Å; I242-T245 PolarHBondContact O-OG1 2.84Å; I242-G246 PolarHBondContact O-N 3.39Å |
| 243 | L | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -48.3 | 173.1 | -68.6 | 177.1 | 0 | 0 | 0 | 111.8 | V202 F220 I239 G246 L247 F331 L347 | V202-L243 HydrophobicContact CG1-CD2 3.79Å; F220-L243 HydrophobicContact CZ-CD1 4.36Å; I239-L243 HydrophobicContact CD1-CD1 4.1Å; I239-L243 HydrophobicContact CD1-CD2 4.09Å; I239-L243 HydrophobicContact CD1-CG 3.87Å; I239-L243 HydrophobicContact CG1-CD1 4.1Å; I239-L243 HydrophobicContact CG1-CG 4.29Å; I239-L243 VanDerWaalsContact O-CG 3.29Å; I239-L243 WeakPolarHBondContact O-CG 3.3Å; I239-L243 PolarHBondContact O-N 2.94Å; L243-G246 PolarHBondContact O-N 3.39Å; L243-L247 PolarHBondContact O-N 3.31Å; L243-L247 VanDerWaalsContact O-N 3.09Å; L243-F331 HydrophobicContact CD1-CE1 3.94Å; L243-F331 HydrophobicContact CD2-CD1 3.99Å; L243-F331 HydrophobicContact CD2-CE1 3.57Å; L243-F331 HydrophobicContact CG-CE1 4.43Å; L243-L347 HydrophobicContact CB-CD1 3.84Å; L243-L347 HydrophobicContact CD1-CD1 4.11Å; L243-L347 HydrophobicContact CD1-CD2 4.13Å |
| 244 | A | 94.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -43.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C240 P241 G246 L247 S248 F350 I351 | C240-A244 PolarHBondContact O-N 3.25Å; P241-A244 PolarHBondContact O-N 3.05Å; A244-G246 VanDerWaalsContact C-N 3.32Å; A244-G246 PolarHBondContact O-N 3.31Å; A244-L247 WeakPolarHBondContact O-CB 3.27Å; A244-L247 PolarHBondContact O-N 3.35Å; A244-S248 PolarHBondContact O-N 2.82Å; A244-S248 PolarHBondContact O-OG 2.68Å; A244-F350 VanDerWaalsContact CB-C 3.48Å; A244-F350 HydrophobicContact CB-CB 3.67Å; A244-F350 WeakPolarHBondContact CB-O 3.34Å; A244-I351 HydrophobicContact CB-CG1 4.03Å |
| 245 | T | 94.1 | Very high | 93.6 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69 | -30.4 | 176.3 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | P241 I242 S248 G249 | P241-T245 WeakPolarHBondContact O-CB 3.22Å; P241-T245 WeakPolarHBondContact O-CG2 3.4Å; P241-T245 PolarHBondContact O-N 3.41Å; P241-T245 PolarHBondContact O-OG1 3.24Å; I242-T245 WeakPolarHBondContact CA-OG1 3.49Å; I242-T245 PolarHBondContact O-OG1 2.84Å; T245-S248 WeakPolarHBondContact O-CB 3.48Å; T245-S248 PolarHBondContact O-N 2.88Å; T245-G249 PolarHBondContact O-N 3.45Å |
| 246 | G | 92.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I242 L243 A244 S248 G249 L250 | I242-G246 PolarHBondContact O-N 3.39Å; L243-G246 PolarHBondContact O-N 3.39Å; A244-G246 VanDerWaalsContact C-N 3.32Å; A244-G246 PolarHBondContact O-N 3.31Å; G246-S248 VanDerWaalsContact C-N 3.31Å; G246-S248 PolarHBondContact O-N 2.93Å; G246-G249 PolarHBondContact O-N 3.19Å; G246-L250 WeakPolarHBondContact O-CB 3.28Å; G246-L250 WeakPolarHBondContact O-CG 3.45Å; G246-L250 PolarHBondContact O-N 3.03Å |
| 247 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -43.7 | 170.9 | -72.1 | 172.6 | 0 | 0 | 0 | 111.4 | L243 A244 L250 Y251 F325 T328 L329 I351 F355 | L243-L247 PolarHBondContact O-N 3.31Å; L243-L247 VanDerWaalsContact O-N 3.09Å; A244-L247 WeakPolarHBondContact O-CB 3.27Å; A244-L247 PolarHBondContact O-N 3.35Å; L247-L250 PolarHBondContact O-N 3.03Å; L247-Y251 VanDerWaalsContact O-CB 3.3Å; L247-Y251 WeakPolarHBondContact O-CB 3.19Å; L247-Y251 PolarHBondContact O-N 3.13Å; L247-F325 HydrophobicContact CB-CE2 4.18Å; L247-F325 HydrophobicContact CD2-CD2 4.32Å; L247-F325 HydrophobicContact CD2-CE2 3.87Å; L247-F325 HydrophobicContact CD2-CZ 4.13Å; L247-F325 WeakPolarHBondContact O-CE2 3.38Å; L247-T328 HydrophobicContact CD2-CG2 3.72Å; L247-T328 HydrophobicContact CG-CG2 4.14Å; L247-L329 HydrophobicContact CD2-CB 4.18Å; L247-I351 HydrophobicContact CD1-CD1 4.36Å; L247-I351 HydrophobicContact CD1-CG1 4.24Å; L247-F355 HydrophobicContact CB-CG 4.33Å |
| 248 | S | 94.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 176.3 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | A244 T245 G246 S252 G354 F355 | A244-S248 PolarHBondContact O-N 2.82Å; A244-S248 PolarHBondContact O-OG 2.68Å; T245-S248 WeakPolarHBondContact O-CB 3.48Å; T245-S248 PolarHBondContact O-N 2.88Å; G246-S248 VanDerWaalsContact C-N 3.31Å; G246-S248 PolarHBondContact O-N 2.93Å; S248-S252 WeakPolarHBondContact O-CB 3.41Å; S248-S252 PolarHBondContact O-N 2.95Å; S248-S252 VanDerWaalsContact O-N 3.08Å; S248-S252 PolarHBondContact O-OG 2.91Å; S248-G354 PolarHBondContact OG-O 2.8Å; S248-F355 VanDerWaalsContact OG-CA 3.31Å; S248-F355 WeakPolarHBondContact OG-CA 3.38Å; S248-F355 WeakPolarHBondContact OG-CB 3.28Å |
| 249 | G | 93.3 | Very high | 92.3 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 40% | 0.402 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.8 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T245 G246 S252 S253 | T245-G249 PolarHBondContact O-N 3.45Å; G246-G249 PolarHBondContact O-N 3.19Å; G249-S252 WeakPolarHBondContact O-CB 3.4Å; G249-S252 PolarHBondContact O-N 3.44Å; G249-S253 PolarHBondContact O-N 3.01Å; G249-S253 PolarHBondContact O-OG 3.33Å |
| 250 | L | 92.7 | Very high | 91.2 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 176.5 | -70 | 171.1 | 0 | 0 | 0 | 111.6 | G246 L247 S252 S253 L254 R324 F325 T328 | G246-L250 WeakPolarHBondContact O-CB 3.28Å; G246-L250 WeakPolarHBondContact O-CG 3.45Å; G246-L250 PolarHBondContact O-N 3.03Å; L247-L250 PolarHBondContact O-N 3.03Å; L250-S252 VanDerWaalsContact C-N 3.31Å; L250-S252 PolarHBondContact O-N 3.07Å; L250-S253 WeakPolarHBondContact O-CA 3.03Å; L250-S253 WeakPolarHBondContact O-CB 3.32Å; L250-S253 PolarHBondContact O-N 3.43Å; L250-L254 PolarHBondContact O-N 3.37Å; L250-R324 HydrophobicContact CD2-CB 4.06Å; L250-F325 HydrophobicContact CB-CB 4.2Å; L250-F325 HydrophobicContact CB-CD2 3.9Å; L250-T328 HydrophobicContact CD1-CG2 4.09Å; L250-T328 WeakPolarHBondContact CD1-OG1 3.43Å |
| 251 | Y | 95.3 | Very high | 89.7 | Confident | 24 Ų | 24 | 36.7 Ų | 36.7 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.3 | -174.1 | -87.2 | 0 | 0 | 0 | 111.7 | L247 S253 L254 F325 F355 V359 L360 A363 A375 Y378 F382 | L247-Y251 VanDerWaalsContact O-CB 3.3Å; L247-Y251 WeakPolarHBondContact O-CB 3.19Å; L247-Y251 PolarHBondContact O-N 3.13Å; Y251-S253 PolarHBondContact O-N 3.04Å; Y251-S253 VanDerWaalsContact O-N 3.11Å; Y251-L254 HydrophobicContact CD2-CD1 3.62Å; Y251-L254 HydrophobicContact CE2-CD1 3.99Å; Y251-L254 HydrophobicContact CG-CD1 4.2Å; Y251-L254 WeakPolarHBondContact O-CB 3.42Å; Y251-L254 WeakPolarHBondContact O-CG 3.35Å; Y251-L254 PolarHBondContact O-N 3.23Å; Y251-F325 HydrophobicContact CD2-CE2 4.24Å; Y251-F325 HydrophobicContact CD2-CZ 4.45Å; Y251-F355 HydrophobicContact CD1-CE2 4.48Å; Y251-F355 AromaticContact CD2-CE2 3.82Å; Y251-F355 HydrophobicContact CD2-CE2 3.82Å; Y251-F355 AromaticContact CD2-CZ 3.95Å; Y251-F355 HydrophobicContact CD2-CZ 3.95Å; Y251-F355 AromaticContact CG-CE2 3.72Å; Y251-F355 HydrophobicContact CG-CE2 3.72Å; Y251-F355 HydrophobicContact CG-CZ 4.33Å; Y251-V359 HydrophobicContact CD1-CG1 3.44Å; Y251-V359 VanDerWaalsContact CD1-CG1 3.44Å; Y251-V359 HydrophobicContact CE1-CG1 4.03Å; Y251-V359 HydrophobicContact CG-CG1 4.17Å; Y251-L360 HydrophobicContact CE2-CD1 3.84Å; Y251-A363 HydrophobicContact CE1-CB 3.91Å; Y251-A375 WeakPolarHBondContact OH-CB 3.46Å; Y251-Y378 HydrophobicContact CE2-CD2 4.48Å; Y251-F382 AromaticContact CD2-CE2 3.94Å; Y251-F382 HydrophobicContact CD2-CE2 3.94Å; Y251-F382 AromaticContact CD2-CZ 3.9Å; Y251-F382 HydrophobicContact CD2-CZ 3.9Å; Y251-F382 AromaticContact CE2-CE2 3.8Å; Y251-F382 HydrophobicContact CE2-CE2 3.8Å; Y251-F382 AromaticContact CE2-CZ 3.9Å; Y251-F382 HydrophobicContact CE2-CZ 3.9Å |
| 252 | S | 93.4 | Very high | 87.7 | Confident | 79 Ų | 79 | 38.9 Ų | 38.9 | 55% | 0.552 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.6 | 175.6 | -57.3 | 0 | 0 | 0 | 0 | 113.7 | S248 G249 L250 | S248-S252 WeakPolarHBondContact O-CB 3.41Å; S248-S252 PolarHBondContact O-N 2.95Å; S248-S252 VanDerWaalsContact O-N 3.08Å; S248-S252 PolarHBondContact O-OG 2.91Å; G249-S252 WeakPolarHBondContact O-CB 3.4Å; G249-S252 PolarHBondContact O-N 3.44Å; L250-S252 VanDerWaalsContact C-N 3.31Å; L250-S252 PolarHBondContact O-N 3.07Å |
| 253 | S | 91.2 | Very high | 84.9 | Confident | 48 Ų | 48 | 38 Ų | 38 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -5 | 176.6 | -48.2 | 0 | 0 | 0 | 0 | 113.4 | G249 L250 Y251 | G249-S253 PolarHBondContact O-N 3.01Å; G249-S253 PolarHBondContact O-OG 3.33Å; L250-S253 WeakPolarHBondContact O-CA 3.03Å; L250-S253 WeakPolarHBondContact O-CB 3.32Å; L250-S253 PolarHBondContact O-N 3.43Å; Y251-S253 PolarHBondContact O-N 3.04Å; Y251-S253 VanDerWaalsContact O-N 3.11Å |
| 254 | L | 93 | Very high | 81.7 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -71.4 | 150.7 | -177.3 | -65.7 | 178.7 | 0 | 0 | 0 | 112.4 | L250 Y251 K256 L322 F325 Y378 F382 | L250-L254 PolarHBondContact O-N 3.37Å; Y251-L254 HydrophobicContact CD2-CD1 3.62Å; Y251-L254 HydrophobicContact CE2-CD1 3.99Å; Y251-L254 HydrophobicContact CG-CD1 4.2Å; Y251-L254 WeakPolarHBondContact O-CB 3.42Å; Y251-L254 WeakPolarHBondContact O-CG 3.35Å; Y251-L254 PolarHBondContact O-N 3.23Å; L254-K256 PolarHBondContact O-N 3.22Å; L254-L322 HydrophobicContact CD2-CB 4.11Å; L254-L322 HydrophobicContact CD2-CD1 3.99Å; L254-F325 HydrophobicContact CD1-CG 4.34Å; L254-F325 HydrophobicContact CD2-CB 4Å; L254-Y378 HydrophobicContact CB-CE2 3.96Å; L254-Y378 HydrophobicContact CD1-CD2 4.08Å; L254-Y378 HydrophobicContact CD1-CE2 4.13Å; L254-Y378 HydrophobicContact CD1-CG 4.33Å; L254-F382 HydrophobicContact CD1-CZ 4.19Å |
| 255 | P | 90.3 | Very high | 78.6 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | trans | -55.3 | 119.2 | 171.2 | -26.8 | 35.5 | 0 | 0 | 0 | 113 | K257 L299 L301 Y378 | P255-K257 VanDerWaalsContact C-N 3.29Å; P255-K257 PolarHBondContact O-N 3.17Å; P255-L299 CarbonylContact C-O 2.97Å; P255-L299 VanDerWaalsContact CA-O 3.26Å; P255-L299 WeakPolarHBondContact CA-O 3.41Å; P255-L299 HydrophobicContact CB-CB 4.28Å; P255-L299 WeakPolarHBondContact CB-O 3.36Å; P255-L299 HydrophobicContact CG-CB 4.46Å; P255-L301 HydrophobicContact CB-CB 3.66Å; P255-L301 HydrophobicContact CG-CB 4.02Å; P255-Y378 WeakPolarHBondContact O-CE2 3.39Å; P255-Y378 PolarHBondContact O-OH 2.75Å | ||
| 256 | K | 90.1 | Very high | 75.3 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -80.8 | -5.9 | -173.8 | -82.5 | 175 | 167.4 | -107.2 | 0 | 114.4 | L254 L299 D370 E371 | L254-K256 PolarHBondContact O-N 3.22Å; K256-L299 PolarHBondContact N-O 3.07Å; K256-D370 CarbonylContact O-C 3.59Å; K256-E371 HydrophobicContact CB-CG 4.18Å; K256-E371 WeakPolarHBondContact CD-OE2 3.45Å; K256-E371 IonicContact NZ-OE2 2.72Å; K256-E371 PolarHBondContact NZ-OE2 2.91Å; K256-E371 VanDerWaalsContact O-CA 3.31Å; K256-E371 WeakPolarHBondContact O-CA 3.27Å; K256-E371 PolarHBondContact O-N 3.07Å |
| 257 | K | 88.2 | Confident | 72.2 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 125.7 | -176.9 | 174.2 | 175.8 | 166.7 | -156.2 | 0 | 110.3 | P255 V259 L298 E300 L301 D370 | P255-K257 VanDerWaalsContact C-N 3.29Å; P255-K257 PolarHBondContact O-N 3.17Å; K257-V259 HydrophobicContact CG-CG2 4.22Å; K257-L298 HydrophobicContact CB-CD2 3.92Å; K257-L298 HydrophobicContact CD-CD2 4.1Å; K257-E300 HydrophobicContact CB-CG 4.36Å; K257-E300 HydrophobicContact CD-CG 4.21Å; K257-E300 WeakPolarHBondContact CD-OE1 3.25Å; K257-E300 WeakPolarHBondContact CE-OE1 3.36Å; K257-E300 HydrophobicContact CG-CG 4.48Å; K257-E300 IonicContact NZ-OE1 2.69Å; K257-E300 PolarHBondContact NZ-OE1 3.47Å; K257-E300 IonicContact NZ-OE2 2.7Å; K257-E300 WeakPolarHBondContact O-CA 3.42Å; K257-L301 PolarHBondContact O-N 3.04Å; K257-D370 HydrophobicContact CB-CB 4.18Å; K257-D370 HydrophobicContact CD-CB 4.39Å; K257-D370 HydrophobicContact CG-CB 4.02Å |
| 258 | L | 86.9 | Confident | 69 | Low | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136.5 | 171.2 | -55.9 | -174.6 | 0 | 0 | 0 | 109.5 | L301 V303 A374 A377 | L258-L301 WeakPolarHBondContact CA-O 3.36Å; L258-L301 HydrophobicContact CD2-CB 3.96Å; L258-L301 HydrophobicContact CD2-CD2 4.05Å; L258-L301 HydrophobicContact CD2-CG 4.37Å; L258-V303 HydrophobicContact CB-CG2 4.05Å; L258-V303 HydrophobicContact CD2-CG1 4.35Å; L258-A374 HydrophobicContact CG-CB 4.17Å; L258-A377 HydrophobicContact CD1-CB 3.71Å |
| 259 | V | 80.5 | Confident | 65.7 | Low | 43 Ų | 43 | 76.1 Ų | 76.1 | 26% | 0.261 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 96.9 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | K257 R261 E300 L301 Q302 V303 | K257-V259 HydrophobicContact CG-CG2 4.22Å; V259-R261 PolarHBondContact O-N 3.27Å; V259-E300 HydrophobicContact CG2-CB 4.1Å; V259-E300 HydrophobicContact CG2-CG 4.49Å; V259-E300 WeakPolarHBondContact CG2-OE2 3.11Å; V259-L301 PolarHBondContact N-O 2.7Å; V259-Q302 WeakPolarHBondContact O-CA 3.47Å; V259-V303 PolarHBondContact O-N 3.17Å |
| 260 | P | 72.2 | Confident | 62.6 | Low | 18 Ų | 18 | 78.5 Ų | 78.5 | 12% | 0.117 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 122.9 | -179.9 | -18.7 | 32.5 | 0 | 0 | 0 | 112.3 | Y262 V303 W308 | P260-Y262 HydrophobicContact CB-CD2 4.27Å; P260-Y262 HydrophobicContact CB-CE1 4.33Å; P260-Y262 HydrophobicContact CB-CE2 3.7Å; P260-Y262 HydrophobicContact CG-CE2 4.2Å; P260-Y262 WeakPolarHBondContact O-CD2 3.28Å; P260-Y262 PolarHBondContact O-N 2.9Å; P260-V303 CarbonylContact C-O 3.56Å; P260-V303 WeakPolarHBondContact CA-O 3.48Å; P260-V303 HydrophobicContact CB-CG2 4.37Å; P260-V303 HydrophobicContact CG-CG2 4.18Å; P260-W308 HydrophobicContact CB-CB 4.32Å; P260-W308 HydrophobicContact CB-CD2 4.06Å; P260-W308 HydrophobicContact CB-CE3 4.4Å; P260-W308 HydrophobicContact CB-CG 3.98Å; P260-W308 HydrophobicContact CG-CD2 3.72Å; P260-W308 HydrophobicContact CG-CE3 3.63Å; P260-W308 HydrophobicContact CG-CG 4.18Å; P260-W308 HydrophobicContact CG-CZ3 4.19Å |
| 261 | R | 63.3 | Low | 59.4 | Low | 137 Ų | 137 | 84.8 Ų | 84.8 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 71.6 | 173.6 | -68.8 | -178.4 | 171.7 | 179 | 1.3 | 111 | V259 G263 Q302 V303 | V259-R261 PolarHBondContact O-N 3.27Å; R261-G263 PolarHBondContact O-N 3.31Å; R261-Q302 VanDerWaalsContact CZ-OE1 3.3Å; R261-V303 PolarHBondContact N-O 2.92Å |
| 262 | Y | 52.6 | Low | 56.2 | Low | 77 Ų | 77 | 90 Ų | 90 | 30% | 0.302 | 48% | 0.482 | S | S | . | . | trans | -59.2 | 120.1 | 163.6 | -58.5 | -66.8 | 0 | 0 | 0 | 108.5 | P260 L264 T424 T425 | P260-Y262 HydrophobicContact CB-CD2 4.27Å; P260-Y262 HydrophobicContact CB-CE1 4.33Å; P260-Y262 HydrophobicContact CB-CE2 3.7Å; P260-Y262 HydrophobicContact CG-CE2 4.2Å; P260-Y262 WeakPolarHBondContact O-CD2 3.28Å; P260-Y262 PolarHBondContact O-N 2.9Å; Y262-L264 PolarHBondContact O-N 3.33Å; Y262-L264 VanDerWaalsContact O-N 3.12Å; Y262-T424 PolarHBondContact OH-O 2.9Å; Y262-T425 HydrophobicContact CD2-CG2 4.34Å; Y262-T425 HydrophobicContact CE2-CG2 4.42Å | ||
| 263 | G | 35.1 | Very low | 53 | Low | 39 Ų | 39 | 90.7 Ų | 90.7 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | trans | -41.2 | 110.2 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R261 | R261-G263 PolarHBondContact O-N 3.31Š| ||
| 264 | L | 28.2 | Very low | 50 | Low | 132 Ų | 132 | 96 Ų | 96 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | trans | -74.9 | 143.4 | 174.4 | -70.1 | 173.3 | 0 | 0 | 0 | 110.6 | Y262 H266 | Y262-L264 PolarHBondContact O-N 3.33Å; Y262-L264 VanDerWaalsContact O-N 3.12Å; L264-H266 PolarHBondContact O-N 2.98Å | ||
| 265 | Y | 28.1 | Very low | 46.8 | Very low | 157 Ų | 157 | 103 Ų | 103 | 62% | 0.616 | 55% | 0.549 | S | S | * | . | trans | -65.5 | 116 | -177.7 | -86.2 | -124.6 | 0 | 0 | 0 | 112 | K1232 | Y265-K1232 HydrophobicContact CE2-CD 4.01Å; Y265-K1232 WeakPolarHBondContact OH-CD 3.34Å; Y265-K1232 VanDerWaalsContact OH-CE 3.23Å; Y265-K1232 WeakPolarHBondContact OH-CE 3.33Å | ||
| 266 | H | 25.4 | Very low | 43.7 | Very low | 180 Ų | 180 | 107 Ų | 107 | 83% | 0.833 | 58% | 0.576 | S | S | * | * | trans | -83.7 | 105.9 | 148.9 | -109.5 | -40.1 | 0 | 0 | 0 | 108.7 | L264 | L264-H266 PolarHBondContact O-N 2.98Š| ||
| 267 | N | 26.3 | Very low | 40.7 | Very low | 113 Ų | 113 | 109.9 Ų | 109.9 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | trans | -78.8 | 131.7 | 166.9 | -82.6 | -28.2 | 0 | 0 | 0 | 109.4 | N269 | N267-N269 PolarHBondContact O-N 3.33Š| ||
| 268 | H | 28 | Very low | 37.6 | Very low | 191 Ų | 191 | 109.1 Ų | 109.1 | 88% | 0.884 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -70.6 | 29.5 | 177.6 | -83.6 | -85 | 0 | 0 | 0 | 114.9 | ||
| 269 | N | 25.9 | Very low | 34.6 | Very low | 136 Ų | 136 | 111 Ų | 111 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -121.7 | 115.1 | 169.2 | -81.7 | -35.6 | 0 | 0 | 0 | 107.9 | N267 N271 | N267-N269 PolarHBondContact O-N 3.33Å; N269-N271 PolarHBondContact O-N 3.37Å |
| 270 | G | 27.8 | Very low | 32 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 91% | 0.907 | 66% | 0.66 | S | S | * | * | trans | -69.2 | 34.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 271 | N | 26.5 | Very low | 29.9 | Very low | 154 Ų | 154 | 118.7 Ų | 118.7 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | trans | -96.8 | 99.7 | 171.6 | -79.7 | -30.2 | 0 | 0 | 0 | 109.8 | N269 S273 | N269-N271 PolarHBondContact O-N 3.37Å; N271-S273 PolarHBondContact O-N 3.29Å | ||
| 272 | V | 27.1 | Very low | 28.1 | Very low | 134 Ų | 134 | 116.4 Ų | 116.4 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | trans | -65.4 | 101.4 | 169.7 | 178.8 | 0 | 0 | 0 | 0 | 109 | L274 | V272-L274 PolarHBondContact O-N 2.93Š| ||
| 273 | S | 26.1 | Very low | 27 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | trans | -78.2 | 110.5 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | N271 N275 | N271-S273 PolarHBondContact O-N 3.29Å; S273-N275 PolarHBondContact O-N 3.31Å | ||
| 274 | L | 28.8 | Very low | 26.4 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -65.4 | -0.4 | -174.4 | -87.1 | 159 | 0 | 0 | 0 | 115.5 | V272 | V272-L274 PolarHBondContact O-N 2.93Š|
| 275 | N | 26.3 | Very low | 26.3 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | -114.4 | 46.9 | -174.2 | -67.2 | -14.5 | 0 | 0 | 0 | 112.6 | S273 | S273-N275 PolarHBondContact O-N 3.31Š| ||
| 276 | S | 25 | Very low | 26.2 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -138.7 | 125.7 | 171.7 | -156 | 0 | 0 | 0 | 0 | 111.4 | G278 | S276-G278 VanDerWaalsContact C-N 3.28Å; S276-G278 PolarHBondContact O-N 2.95Å | ||
| 277 | P | 25.7 | Very low | 26.3 | Very low | 141 Ų | 141 | 117 Ų | 117 | 92% | 0.916 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -79.9 | 71.9 | -174.4 | 33.5 | -35.9 | 0 | 0 | 0 | 111.4 | ||
| 278 | G | 24.9 | Very low | 26.3 | Very low | 43 Ų | 43 | 121.8 Ų | 121.8 | 44% | 0.443 | 73% | 0.734 | S | S | . | * | trans | -178.7 | 31.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S276 | S276-G278 VanDerWaalsContact C-N 3.28Å; S276-G278 PolarHBondContact O-N 2.95Å | ||
| 279 | G | 23.2 | Very low | 26.3 | Very low | 50 Ų | 50 | 119 Ų | 119 | 52% | 0.515 | 73% | 0.725 | S | S | . | * | trans | -72.5 | 157.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V281 | G279-V281 PolarHBondContact O-N 3.28Å; G279-V281 VanDerWaalsContact O-N 3.16Å | ||
| 280 | P | 25.3 | Very low | 26.3 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -66.5 | 114.1 | 174.8 | 28 | -33.4 | 0 | 0 | 0 | 110 | S282 | P280-S282 PolarHBondContact O-N 3.11Š| ||
| 281 | V | 28.8 | Very low | 26.2 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 60% | 0.6 | 72% | 0.722 | S | S | * | * | trans | -78.2 | 101 | 174.8 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | G279 V283 | G279-V281 PolarHBondContact O-N 3.28Å; G279-V281 VanDerWaalsContact O-N 3.16Å; V281-V283 HydrophobicContact CG1-CG2 4.1Å; V281-V283 PolarHBondContact O-N 3.31Å; V281-V283 VanDerWaalsContact O-N 3.17Å | ||
| 282 | S | 25.6 | Very low | 26.1 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | -63.2 | 110.3 | 157.8 | -68.6 | 0 | 0 | 0 | 0 | 108.4 | P280 T284 | P280-S282 PolarHBondContact O-N 3.11Å; S282-T284 PolarHBondContact O-N 2.81Å | ||
| 283 | V | 28.1 | Very low | 26.3 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -79.6 | 67.1 | 175.5 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | V281 | V281-V283 HydrophobicContact CG1-CG2 4.1Å; V281-V283 PolarHBondContact O-N 3.31Å; V281-V283 VanDerWaalsContact O-N 3.17Å | ||
| 284 | T | 23.7 | Very low | 26.4 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | -118.1 | 55.3 | -178.4 | 54.6 | 0 | 0 | 0 | 0 | 111 | S282 | S282-T284 PolarHBondContact O-N 2.81Š| ||
| 285 | T | 25.7 | Very low | 26.4 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | trans | -151.5 | 96.3 | 174.5 | 1.4 | 0 | 0 | 0 | 0 | 111.7 | I287 | T285-I287 HydrophobicContact CG2-CD1 3.9Å; T285-I287 HydrophobicContact CG2-CG1 3.77Å; T285-I287 PolarHBondContact O-N 3.47Å | ||
| 286 | P | 26 | Very low | 26.6 | Very low | 133 Ų | 133 | 124 Ų | 124 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | -76.8 | 75.8 | 167.5 | 32.5 | -33.4 | 0 | 0 | 0 | 109.5 | Y288 | P286-Y288 PolarHBondContact O-N 3.12Š| ||
| 287 | I | 27.8 | Very low | 27.2 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 65% | 0.651 | 74% | 0.735 | S | S | * | * | trans | -76.6 | 93.3 | -178.7 | -63.8 | 169.1 | 0 | 0 | 0 | 109.8 | T285 | T285-I287 HydrophobicContact CG2-CD1 3.9Å; T285-I287 HydrophobicContact CG2-CG1 3.77Å; T285-I287 PolarHBondContact O-N 3.47Å | ||
| 288 | Y | 26 | Very low | 28.1 | Very low | 213 Ų | 213 | 123.8 Ų | 123.8 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | trans | -65.8 | 132.9 | 144.2 | -106.7 | -103.6 | 0 | 0 | 0 | 108.8 | P286 | P286-Y288 PolarHBondContact O-N 3.12Š| ||
| 289 | I | 27.9 | Very low | 29.9 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | trans | 66.2 | 104.3 | 165.5 | -49.8 | 162.9 | 0 | 0 | 0 | 115.8 | ||||
| 290 | Q | 25.5 | Very low | 32.5 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | -167.9 | 97.4 | 109.7 | -168.8 | 81.3 | 20.4 | 0 | 0 | 109.3 | D292 | Q290-D292 VanDerWaalsContact C-N 3.33Å; Q290-D292 PolarHBondContact O-N 2.82Å | |||
| 291 | S | 26.4 | Very low | 35.1 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 87% | 0.874 | 69% | 0.686 | S | S | * | * | trans | -81.6 | 70.2 | 179.9 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 292 | D | 25.3 | Very low | 37.3 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | trans | -156.1 | 64.3 | 176.2 | -103.5 | -35.2 | 0 | 0 | 0 | 112.8 | Q290 | Q290-D292 VanDerWaalsContact C-N 3.33Å; Q290-D292 PolarHBondContact O-N 2.82Å | ||
| 293 | L | 30.7 | Very low | 39.7 | Very low | 178 Ų | 178 | 119 Ų | 119 | 93% | 0.932 | 65% | 0.648 | S | S | * | * | trans | -148.9 | 128.1 | 164.5 | -110.7 | 153 | 0 | 0 | 0 | 110.8 | N295 | L293-N295 PolarHBondContact O-N 3.09Å; L293-N295 VanDerWaalsContact O-N 3.1Å | ||
| 294 | L | 27.7 | Very low | 41.3 | Very low | 166 Ų | 166 | 114.5 Ų | 114.5 | 87% | 0.869 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -82.6 | 87.8 | -163.8 | -73.8 | 152.5 | 0 | 0 | 0 | 112.7 | ||
| 295 | N | 28.7 | Very low | 43.1 | Very low | 157 Ų | 157 | 111.3 Ų | 111.3 | 84% | 0.84 | 62% | 0.617 | S | S | * | * | trans | -166.8 | 85.4 | 147.6 | -101.6 | -15.7 | 0 | 0 | 0 | 111.1 | L293 | L293-N295 PolarHBondContact O-N 3.09Å; L293-N295 VanDerWaalsContact O-N 3.1Å | ||
| 296 | P | 30.6 | Very low | 44.6 | Very low | 109 Ų | 109 | 106.9 Ų | 106.9 | 71% | 0.708 | 59% | 0.59 | S | S | * | * | trans | -71 | 166.7 | 165 | 32.8 | -34.9 | 0 | 0 | 0 | 111.2 | ||||
| 297 | C | 36.6 | Very low | 46.5 | Very low | 115 Ų | 115 | 104.8 Ų | 104.8 | 78% | 0.777 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 80.4 | 15 | 165 | -52.5 | 0 | 0 | 0 | 0 | 120 | ||
| 298 | L | 44.6 | Very low | 48.8 | Very low | 111 Ų | 111 | 99 Ų | 99 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | trans | -141 | 77.3 | 166.6 | -126.9 | 167.6 | 0 | 0 | 0 | 113.5 | K257 E300 | K257-L298 HydrophobicContact CB-CD2 3.92Å; K257-L298 HydrophobicContact CD-CD2 4.1Å; L298-E300 HydrophobicContact CD2-CG 3.88Å | ||
| 299 | L | 62.7 | Low | 51.3 | Low | 102 Ų | 102 | 89.2 Ų | 89.2 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | trans | -74.1 | 122.1 | 165 | -72.4 | 166.4 | 0 | 0 | 0 | 109.2 | P255 K256 | P255-L299 CarbonylContact C-O 2.97Å; P255-L299 VanDerWaalsContact CA-O 3.26Å; P255-L299 WeakPolarHBondContact CA-O 3.41Å; P255-L299 HydrophobicContact CB-CB 4.28Å; P255-L299 WeakPolarHBondContact CB-O 3.36Å; P255-L299 HydrophobicContact CG-CB 4.46Å; K256-L299 PolarHBondContact N-O 3.07Å | ||
| 300 | E | 78.2 | Confident | 53.9 | Low | 97 Ų | 97 | 84 Ų | 84 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.1 | 176.8 | -57.7 | -167.2 | 162.9 | 0 | 0 | 110.7 | K257 V259 L298 | K257-E300 HydrophobicContact CB-CG 4.36Å; K257-E300 HydrophobicContact CD-CG 4.21Å; K257-E300 WeakPolarHBondContact CD-OE1 3.25Å; K257-E300 WeakPolarHBondContact CE-OE1 3.36Å; K257-E300 HydrophobicContact CG-CG 4.48Å; K257-E300 IonicContact NZ-OE1 2.69Å; K257-E300 PolarHBondContact NZ-OE1 3.47Å; K257-E300 IonicContact NZ-OE2 2.7Å; K257-E300 WeakPolarHBondContact O-CA 3.42Å; V259-E300 HydrophobicContact CG2-CB 4.1Å; V259-E300 HydrophobicContact CG2-CG 4.49Å; V259-E300 WeakPolarHBondContact CG2-OE2 3.11Å; L298-E300 HydrophobicContact CD2-CG 3.88Å |
| 301 | L | 80.6 | Confident | 56.8 | Low | 12 Ų | 12 | 76.8 Ų | 76.8 | 6% | 0.063 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.7 | 172.4 | -177.6 | 58 | 0 | 0 | 0 | 109.7 | P255 K257 L258 V259 V303 L311 L322 | P255-L301 HydrophobicContact CB-CB 3.66Å; P255-L301 HydrophobicContact CG-CB 4.02Å; K257-L301 PolarHBondContact O-N 3.04Å; L258-L301 WeakPolarHBondContact CA-O 3.36Å; L258-L301 HydrophobicContact CD2-CB 3.96Å; L258-L301 HydrophobicContact CD2-CD2 4.05Å; L258-L301 HydrophobicContact CD2-CG 4.37Å; V259-L301 PolarHBondContact N-O 2.7Å; L301-V303 HydrophobicContact CD2-CG1 4.28Å; L301-V303 HydrophobicContact CG-CG1 4.11Å; L301-V303 PolarHBondContact O-N 3.04Å; L301-L311 HydrophobicContact CD2-CD2 3.88Å; L301-L322 HydrophobicContact CD2-CD2 4.21Å |
| 302 | Q | 74.9 | Confident | 59.5 | Low | 93 Ų | 93 | 72.7 Ų | 72.7 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116.5 | 172.6 | -62.4 | -174.2 | 11.6 | 0 | 0 | 109.6 | V259 R261 | V259-Q302 WeakPolarHBondContact O-CA 3.47Å; R261-Q302 VanDerWaalsContact CZ-OE1 3.3Å |
| 303 | V | 75.7 | Confident | 62.2 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 152 | -179.9 | -73.4 | 0 | 0 | 0 | 0 | 110.6 | L258 V259 P260 R261 L301 W308 L311 E315 | L258-V303 HydrophobicContact CB-CG2 4.05Å; L258-V303 HydrophobicContact CD2-CG1 4.35Å; V259-V303 PolarHBondContact O-N 3.17Å; P260-V303 CarbonylContact C-O 3.56Å; P260-V303 WeakPolarHBondContact CA-O 3.48Å; P260-V303 HydrophobicContact CB-CG2 4.37Å; P260-V303 HydrophobicContact CG-CG2 4.18Å; R261-V303 PolarHBondContact N-O 2.92Å; L301-V303 HydrophobicContact CD2-CG1 4.28Å; L301-V303 HydrophobicContact CG-CG1 4.11Å; L301-V303 PolarHBondContact O-N 3.04Å; V303-W308 HydrophobicContact CB-CB 4.07Å; V303-W308 HydrophobicContact CG2-CB 3.94Å; V303-W308 HydrophobicContact CG2-CE3 4.22Å; V303-L311 HydrophobicContact CG1-CD2 3.54Å; V303-E315 WeakPolarHBondContact CA-OE1 3.24Å; V303-E315 WeakPolarHBondContact CB-OE1 3.36Å; V303-E315 HydrophobicContact CG1-CG 4.27Å; V303-E315 WeakPolarHBondContact CG1-OE1 3.49Å |
| 304 | G | 62.2 | Low | 64.4 | Low | 31 Ų | 31 | 66.1 Ų | 66.1 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 155.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E315 | G304-E315 PolarHBondContact N-OE1 2.8Å |
| 305 | G | 61.1 | Low | 67 | Low | 48 Ų | 48 | 58.6 Ų | 58.6 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 74.6 | -164 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 306 | A | 56.8 | Low | 69.7 | Low | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W308 H309 E662 F1152 W1227 | A306-W308 PolarHBondContact O-N 3.42Å; A306-W308 VanDerWaalsContact O-N 3.17Å; A306-H309 PolarHBondContact O-CE1 2.86Å; A306-H309 PolarHBondContact O-ND1 2.73Å; A306-E662 WeakPolarHBondContact CB-OE1 3.26Å; A306-F1152 HydrophobicContact CB-CD1 3.89Å; A306-F1152 HydrophobicContact CB-CE1 3.22Å; A306-F1152 HydrophobicContact CB-CZ 3.62Å; A306-W1227 HydrophobicContact CB-CH2 3.61Å; A306-W1227 HydrophobicContact CB-CZ2 4.01Å; A306-W1227 HydrophobicContact CB-CZ3 3.94Å; A306-W1227 VanDerWaalsContact N-CH2 3.3Å |
| 307 | E | 65.6 | Low | 72.1 | Confident | 90 Ų | 90 | 48 Ų | 48 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 21.8 | -173.4 | -57.2 | -167.2 | 135.5 | 0 | 0 | 113.7 | H309 Q310 | E307-H309 PolarHBondContact O-N 2.86Å; E307-Q310 CarbonylContact O-C 3.59Å; E307-Q310 WeakPolarHBondContact O-CA 3.44Å; E307-Q310 PolarHBondContact O-N 2.92Å |
| 308 | W | 77.2 | Confident | 74.3 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -20.1 | 174.7 | 74.7 | -92 | 0 | 0 | 0 | 114 | P260 V303 A306 I373 Y429 Q430 M433 V434 | P260-W308 HydrophobicContact CB-CB 4.32Å; P260-W308 HydrophobicContact CB-CD2 4.06Å; P260-W308 HydrophobicContact CB-CE3 4.4Å; P260-W308 HydrophobicContact CB-CG 3.98Å; P260-W308 HydrophobicContact CG-CD2 3.72Å; P260-W308 HydrophobicContact CG-CE3 3.63Å; P260-W308 HydrophobicContact CG-CG 4.18Å; P260-W308 HydrophobicContact CG-CZ3 4.19Å; V303-W308 HydrophobicContact CB-CB 4.07Å; V303-W308 HydrophobicContact CG2-CB 3.94Å; V303-W308 HydrophobicContact CG2-CE3 4.22Å; A306-W308 PolarHBondContact O-N 3.42Å; A306-W308 VanDerWaalsContact O-N 3.17Å; W308-I373 HydrophobicContact CZ3-CG2 4.32Å; W308-Y429 HydrophobicContact CZ2-CE1 4.4Å; W308-Q430 HydrophobicContact CH2-CB 3.53Å; W308-Q430 HydrophobicContact CH2-CG 3.79Å; W308-Q430 HydrophobicContact CZ2-CB 4.05Å; W308-Q430 HydrophobicContact CZ2-CG 3.91Å; W308-Q430 HydrophobicContact CZ3-CB 4.39Å; W308-M433 HydrophobicContact CH2-CB 4.4Å; W308-M433 HydrophobicContact CZ2-CB 3.93Å; W308-M433 HydrophobicContact CZ2-CG 4.37Å; W308-V434 HydrophobicContact CH2-CG1 3.92Å; W308-V434 HydrophobicContact CZ3-CG1 3.89Å |
| 309 | H | 77.9 | Confident | 76.3 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.2 | 178.6 | 62.9 | -85.7 | 0 | 0 | 0 | 114 | A306 E307 M433 V434 S437 | A306-H309 PolarHBondContact O-CE1 2.86Å; A306-H309 PolarHBondContact O-ND1 2.73Å; E307-H309 PolarHBondContact O-N 2.86Å; H309-M433 HydrophobicContact CB-CB 4.15Å; H309-V434 HydrophobicContact CB-CG1 3.9Å; H309-S437 PolarHBondContact O-OG 2.75Å |
| 310 | Q | 82.8 | Confident | 77.4 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -133.1 | 90.7 | 169.5 | -75.1 | -160.9 | -14.5 | 0 | 0 | 108.3 | E307 T312 S437 | E307-Q310 CarbonylContact O-C 3.59Å; E307-Q310 WeakPolarHBondContact O-CA 3.44Å; E307-Q310 PolarHBondContact O-N 2.92Å; Q310-T312 PolarHBondContact O-N 3.38Å; Q310-T312 VanDerWaalsContact O-N 3.16Å; Q310-S437 WeakPolarHBondContact CG-OG 3.47Å; Q310-S437 PolarHBondContact NE2-OG 2.85Å |
| 311 | L | 86.9 | Confident | 78 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -50.3 | 123.7 | -175.7 | -75.8 | 164.5 | 0 | 0 | 0 | 111.9 | L301 V303 E315 L322 A377 Y378 L381 R384 | L301-L311 HydrophobicContact CD2-CD2 3.88Å; V303-L311 HydrophobicContact CG1-CD2 3.54Å; L311-E315 HydrophobicContact CD2-CB 4.18Å; L311-L322 HydrophobicContact CD1-CD2 4.45Å; L311-A377 HydrophobicContact CD1-CB 4.45Å; L311-Y378 HydrophobicContact CD1-CD1 3.54Å; L311-Y378 HydrophobicContact CD1-CE1 3.5Å; L311-L381 HydrophobicContact CB-CB 4.45Å; L311-L381 HydrophobicContact CB-CD1 4.19Å; L311-L381 HydrophobicContact CB-CD2 3.88Å; L311-L381 HydrophobicContact CB-CG 4.41Å; L311-L381 HydrophobicContact CD1-CD2 3.81Å; L311-R384 PolarHBondContact O-NH1 3.21Å; L311-R384 PolarHBondContact O-NH2 2.87Å | ||
| 312 | T | 82.4 | Confident | 78.5 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 24% | 0.239 | 24% | 0.235 | C | C | . | . | trans | -91.6 | 168 | -173 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | Q310 S314 E315 C316 | Q310-T312 PolarHBondContact O-N 3.38Å; Q310-T312 VanDerWaalsContact O-N 3.16Å; T312-S314 VanDerWaalsContact C-N 3.28Å; T312-S314 PolarHBondContact O-N 3.42Å; T312-S314 PolarHBondContact OG1-OG 2.87Å; T312-S314 VanDerWaalsContact OG1-OG 3.09Å; T312-E315 WeakPolarHBondContact CB-OE2 3.34Å; T312-E315 PolarHBondContact N-OE2 2.97Å; T312-E315 PolarHBondContact O-N 2.98Å; T312-E315 WeakPolarHBondContact OG1-CG 3.26Å; T312-E315 PolarHBondContact OG1-N 3.23Å; T312-E315 PolarHBondContact OG1-OE2 3.27Å; T312-C316 WeakPolarHBondContact O-CB 3.27Å; T312-C316 PolarHBondContact O-N 2.78Å; T312-C316 PolarHBondContact O-SG 3.43Å | ||
| 313 | E | 81.4 | Confident | 79.2 | Confident | 107 Ų | 107 | 42.6 Ų | 42.6 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.7 | -28.4 | 179.4 | -164.4 | 59.5 | -99.4 | 0 | 0 | 113 | S317 R385 | E313-S317 WeakPolarHBondContact O-CB 3.42Å; E313-S317 PolarHBondContact O-N 2.99Å; E313-S317 PolarHBondContact O-OG 2.8Å; E313-R385 IonicContact OE1-CZ 2.62Å; E313-R385 IonicContact OE1-NH1 3.99Å; E313-R385 IonicContact OE1-NH2 3.95Å; E313-R385 PolarHBondContact OE1-NH2 3.25Å; E313-R385 IonicContact OE2-CZ 2.78Å; E313-R385 IonicContact OE2-NH1 3.8Å; E313-R385 PolarHBondContact OE2-NH1 3.32Å; E313-R385 IonicContact OE2-NH2 2.77Å; E313-R385 PolarHBondContact OE2-NH2 2.92Å |
| 314 | S | 77.3 | Confident | 79.9 | Confident | 73 Ų | 73 | 46.7 Ų | 46.7 | 51% | 0.51 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 174.7 | 55 | 0 | 0 | 0 | 0 | 111.7 | T312 S317 N318 | T312-S314 VanDerWaalsContact C-N 3.28Å; T312-S314 PolarHBondContact O-N 3.42Å; T312-S314 PolarHBondContact OG1-OG 2.87Å; T312-S314 VanDerWaalsContact OG1-OG 3.09Å; S314-S317 WeakPolarHBondContact O-CB 3.35Å; S314-S317 PolarHBondContact O-N 2.77Å; S314-N318 WeakPolarHBondContact O-CB 3.46Å; S314-N318 PolarHBondContact O-N 3.05Å; S314-N318 PolarHBondContact O-ND2 3.15Å; S314-N318 VanDerWaalsContact O-ND2 3.11Å |
| 315 | E | 83.4 | Confident | 81.4 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.2 | -38.9 | 175.1 | -67.2 | 157.4 | 148.8 | 0 | 0 | 112 | V303 G304 L311 T312 S317 N318 S319 | V303-E315 WeakPolarHBondContact CA-OE1 3.24Å; V303-E315 WeakPolarHBondContact CB-OE1 3.36Å; V303-E315 HydrophobicContact CG1-CG 4.27Å; V303-E315 WeakPolarHBondContact CG1-OE1 3.49Å; G304-E315 PolarHBondContact N-OE1 2.8Å; L311-E315 HydrophobicContact CD2-CB 4.18Å; T312-E315 WeakPolarHBondContact CB-OE2 3.34Å; T312-E315 PolarHBondContact N-OE2 2.97Å; T312-E315 PolarHBondContact O-N 2.98Å; T312-E315 WeakPolarHBondContact OG1-CG 3.26Å; T312-E315 PolarHBondContact OG1-N 3.23Å; T312-E315 PolarHBondContact OG1-OE2 3.27Å; E315-S317 VanDerWaalsContact C-N 3.25Å; E315-S317 PolarHBondContact O-N 3.45Å; E315-N318 PolarHBondContact O-N 3.05Å; E315-S319 PolarHBondContact O-N 3.48Å |
| 316 | C | 84.1 | Confident | 83 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -35.2 | 169.1 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | T312 L326 R385 | T312-C316 WeakPolarHBondContact O-CB 3.27Å; T312-C316 PolarHBondContact O-N 2.78Å; T312-C316 PolarHBondContact O-SG 3.43Å; C316-L326 HydrophobicContact CB-CD1 3.99Å; C316-R385 PolarHBondContact SG-NH2 2.67Å |
| 317 | S | 81.7 | Confident | 84.6 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.6 | -35.9 | 177.4 | -72.1 | 0 | 0 | 0 | 0 | 113.6 | E313 S314 E315 R323 | E313-S317 WeakPolarHBondContact O-CB 3.42Å; E313-S317 PolarHBondContact O-N 2.99Å; E313-S317 PolarHBondContact O-OG 2.8Å; S314-S317 WeakPolarHBondContact O-CB 3.35Å; S314-S317 PolarHBondContact O-N 2.77Å; E315-S317 VanDerWaalsContact C-N 3.25Å; E315-S317 PolarHBondContact O-N 3.45Å; S317-R323 PolarHBondContact O-NH2 3.08Å |
| 318 | N | 81.9 | Confident | 85.9 | Confident | 123 Ų | 123 | 43 Ų | 43 | 66% | 0.658 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -74.4 | -21.9 | -179.2 | -72.4 | -27.7 | 0 | 0 | 0 | 113.5 | S314 E315 | S314-N318 WeakPolarHBondContact O-CB 3.46Å; S314-N318 PolarHBondContact O-N 3.05Å; S314-N318 PolarHBondContact O-ND2 3.15Å; S314-N318 VanDerWaalsContact O-ND2 3.11Å; E315-N318 PolarHBondContact O-N 3.05Å |
| 319 | S | 86.6 | Confident | 86.7 | Confident | 11 Ų | 11 | 43 Ų | 43 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | trans | -104.2 | 110.3 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 111 | E315 D321 L322 R323 | E315-S319 PolarHBondContact O-N 3.48Å; S319-D321 VanDerWaalsContact C-N 3.34Å; S319-D321 PolarHBondContact O-N 2.69Å; S319-L322 PolarHBondContact O-N 3.47Å; S319-L322 WeakPolarHBondContact OG-CB 3.44Å; S319-L322 PolarHBondContact OG-N 2.77Å; S319-R323 WeakPolarHBondContact O-CB 3.28Å; S319-R323 PolarHBondContact O-N 2.87Å | ||
| 320 | I | 87.6 | Confident | 87.5 | Confident | 106 Ų | 106 | 46.1 Ų | 46.1 | 54% | 0.544 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.5 | -49.6 | 177.4 | -63.1 | 175.4 | 0 | 0 | 0 | 110.1 | L322 R323 R324 | I320-L322 PolarHBondContact O-N 3.11Å; I320-R323 WeakPolarHBondContact O-CB 3.29Å; I320-R323 PolarHBondContact O-N 2.59Å; I320-R324 HydrophobicContact CG2-CG 4.36Å; I320-R324 VanDerWaalsContact CG2-CZ 3.47Å; I320-R324 VanDerWaalsContact O-CG 3.27Å; I320-R324 WeakPolarHBondContact O-CG 3.29Å; I320-R324 PolarHBondContact O-N 2.66Å |
| 321 | D | 90.1 | Very high | 88.1 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.6 | -30.4 | -174.5 | -56 | -66.7 | 0 | 0 | 0 | 113.4 | S319 R324 F325 | S319-D321 VanDerWaalsContact C-N 3.34Å; S319-D321 PolarHBondContact O-N 2.69Å; D321-R324 PolarHBondContact O-N 3.15Å; D321-R324 IonicContact OD1-CZ 2.93Å; D321-R324 IonicContact OD1-NH1 3.11Å; D321-R324 PolarHBondContact OD1-NH1 2.86Å; D321-F325 PolarHBondContact O-N 3.39Å |
| 322 | L | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | 168.4 | -174.1 | 55 | 0 | 0 | 0 | 111.2 | L254 L301 L311 S319 I320 R324 F325 L326 Y378 L381 | L254-L322 HydrophobicContact CD2-CB 4.11Å; L254-L322 HydrophobicContact CD2-CD1 3.99Å; L301-L322 HydrophobicContact CD2-CD2 4.21Å; L311-L322 HydrophobicContact CD1-CD2 4.45Å; S319-L322 PolarHBondContact O-N 3.47Å; S319-L322 WeakPolarHBondContact OG-CB 3.44Å; S319-L322 PolarHBondContact OG-N 2.77Å; I320-L322 PolarHBondContact O-N 3.11Å; L322-R324 VanDerWaalsContact C-N 3.31Å; L322-R324 PolarHBondContact O-N 2.97Å; L322-F325 PolarHBondContact O-N 3.18Å; L322-L326 HydrophobicContact CD1-CD1 4.11Å; L322-L326 HydrophobicContact CD1-CD2 4.49Å; L322-L326 HydrophobicContact CD1-CG 4.07Å; L322-L326 HydrophobicContact CG-CD1 3.94Å; L322-L326 HydrophobicContact CG-CG 4.36Å; L322-L326 WeakPolarHBondContact O-CB 3.38Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 2.88Å; L322-Y378 HydrophobicContact CD1-CD1 4.06Å; L322-Y378 HydrophobicContact CD1-CE1 3.81Å; L322-Y378 HydrophobicContact CD2-CE1 4.11Å; L322-L381 HydrophobicContact CD1-CD2 3.99Å; L322-L381 HydrophobicContact CD2-CD2 4.23Å; L322-L381 HydrophobicContact CG-CD2 4.49Å |
| 323 | R | 89.9 | Confident | 89.1 | Confident | 135 Ų | 135 | 43.7 Ų | 43.7 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.8 | -43.9 | 174.5 | -166.9 | -167.4 | -64.9 | -105.4 | 10.4 | 111.6 | S317 S319 I320 L326 H327 | S317-R323 PolarHBondContact O-NH2 3.08Å; S319-R323 WeakPolarHBondContact O-CB 3.28Å; S319-R323 PolarHBondContact O-N 2.87Å; I320-R323 WeakPolarHBondContact O-CB 3.29Å; I320-R323 PolarHBondContact O-N 2.59Å; R323-L326 PolarHBondContact O-N 3.41Å; R323-H327 WeakPolarHBondContact O-CB 3.48Å; R323-H327 PolarHBondContact O-N 2.96Å |
| 324 | R | 89.4 | Confident | 89.8 | Confident | 87 Ų | 87 | 39.5 Ų | 39.5 | 33% | 0.328 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.5 | -49 | 176.6 | -67.6 | 174.5 | 170.9 | 158 | -6.3 | 112.5 | N205 L250 I320 D321 L322 H327 T328 | N205-R324 HydrophobicContact CB-CG 4.25Å; N205-R324 WeakPolarHBondContact OD1-CG 3.45Å; L250-R324 HydrophobicContact CD2-CB 4.06Å; I320-R324 HydrophobicContact CG2-CG 4.36Å; I320-R324 VanDerWaalsContact CG2-CZ 3.47Å; I320-R324 VanDerWaalsContact O-CG 3.27Å; I320-R324 WeakPolarHBondContact O-CG 3.29Å; I320-R324 PolarHBondContact O-N 2.66Å; D321-R324 PolarHBondContact O-N 3.15Å; D321-R324 IonicContact OD1-CZ 2.93Å; D321-R324 IonicContact OD1-NH1 3.11Å; D321-R324 PolarHBondContact OD1-NH1 2.86Å; L322-R324 VanDerWaalsContact C-N 3.31Å; L322-R324 PolarHBondContact O-N 2.97Å; R324-H327 PolarHBondContact O-N 3.01Å; R324-T328 PolarHBondContact O-N 3.43Å; R324-T328 VanDerWaalsContact O-N 3.11Å; R324-T328 PolarHBondContact O-OG1 3.45Å; R324-T328 VanDerWaalsContact O-OG1 3.09Å |
| 325 | F | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 177.3 | 178.7 | -86.5 | 0 | 0 | 0 | 111.2 | L247 L250 Y251 L254 D321 L322 H327 T328 L329 F355 F382 | L247-F325 HydrophobicContact CB-CE2 4.18Å; L247-F325 HydrophobicContact CD2-CD2 4.32Å; L247-F325 HydrophobicContact CD2-CE2 3.87Å; L247-F325 HydrophobicContact CD2-CZ 4.13Å; L247-F325 WeakPolarHBondContact O-CE2 3.38Å; L250-F325 HydrophobicContact CB-CB 4.2Å; L250-F325 HydrophobicContact CB-CD2 3.9Å; Y251-F325 HydrophobicContact CD2-CE2 4.24Å; Y251-F325 HydrophobicContact CD2-CZ 4.45Å; L254-F325 HydrophobicContact CD1-CG 4.34Å; L254-F325 HydrophobicContact CD2-CB 4Å; D321-F325 PolarHBondContact O-N 3.39Å; L322-F325 PolarHBondContact O-N 3.18Å; F325-H327 VanDerWaalsContact C-N 3.32Å; F325-H327 PolarHBondContact O-N 3.08Å; F325-T328 PolarHBondContact O-N 3.25Å; F325-L329 HydrophobicContact CE1-CB 4.18Å; F325-L329 HydrophobicContact CE1-CD2 4.03Å; F325-L329 WeakPolarHBondContact O-CB 3.29Å; F325-L329 PolarHBondContact O-N 2.8Å; F325-F355 HydrophobicContact CE2-CE2 4.17Å; F325-F355 AromaticContact CE2-CZ 3.93Å; F325-F355 HydrophobicContact CE2-CZ 3.93Å; F325-F355 HydrophobicContact CZ-CE1 4.12Å; F325-F355 HydrophobicContact CZ-CE2 4.36Å; F325-F355 AromaticContact CZ-CZ 3.67Å; F325-F355 HydrophobicContact CZ-CZ 3.67Å; F325-F382 HydrophobicContact CD1-CD1 4.25Å; F325-F382 AromaticContact CD1-CE1 3.51Å; F325-F382 HydrophobicContact CD1-CE1 3.51Å; F325-F382 AromaticContact CD1-CZ 3.71Å; F325-F382 HydrophobicContact CD1-CZ 3.71Å; F325-F382 AromaticContact CE1-CD1 3.66Å; F325-F382 HydrophobicContact CE1-CD1 3.66Å; F325-F382 HydrophobicContact CE1-CD2 4.13Å; F325-F382 AromaticContact CE1-CE1 3.16Å; F325-F382 HydrophobicContact CE1-CE1 3.16Å; F325-F382 AromaticContact CE1-CE2 3.67Å; F325-F382 HydrophobicContact CE1-CE2 3.67Å; F325-F382 HydrophobicContact CE1-CG 4.13Å; F325-F382 AromaticContact CE1-CZ 3.15Å; F325-F382 HydrophobicContact CE1-CZ 3.15Å; F325-F382 HydrophobicContact CZ-CD2 4.35Å; F325-F382 HydrophobicContact CZ-CE1 4.1Å; F325-F382 AromaticContact CZ-CE2 3.77Å; F325-F382 HydrophobicContact CZ-CE2 3.77Å; F325-F382 AromaticContact CZ-CZ 3.63Å; F325-F382 HydrophobicContact CZ-CZ 3.63Å |
| 326 | L | 93.2 | Very high | 91.3 | Very high | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.089 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -35.6 | -179.3 | -66.3 | 173.8 | 0 | 0 | 0 | 112.4 | C316 L322 R323 L329 H330 L381 F382 | C316-L326 HydrophobicContact CB-CD1 3.99Å; L322-L326 HydrophobicContact CD1-CD1 4.11Å; L322-L326 HydrophobicContact CD1-CD2 4.49Å; L322-L326 HydrophobicContact CD1-CG 4.07Å; L322-L326 HydrophobicContact CG-CD1 3.94Å; L322-L326 HydrophobicContact CG-CG 4.36Å; L322-L326 WeakPolarHBondContact O-CB 3.38Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 2.88Å; R323-L326 PolarHBondContact O-N 3.41Å; L326-L329 PolarHBondContact O-N 3.33Å; L326-H330 WeakPolarHBondContact O-CB 3.41Å; L326-H330 PolarHBondContact O-N 2.87Å; L326-L381 HydrophobicContact CD1-CD2 4.19Å; L326-L381 HydrophobicContact CD2-CD2 4.12Å; L326-L381 HydrophobicContact CD2-CG 4.24Å; L326-F382 HydrophobicContact CD2-CD1 4.09Å; L326-F382 HydrophobicContact CD2-CE1 4.26Å |
| 327 | H | 91.1 | Very high | 91.8 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 35% | 0.352 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66 | -43.6 | 175.5 | -165.1 | -141.9 | 0 | 0 | 0 | 111.7 | D210 R213 R323 R324 F325 H330 F331 | D210-H327 IonicContact OD1-CE1 2.69Å; D210-H327 PolarHBondContact OD1-CE1 3.09Å; D210-H327 IonicContact OD1-ND1 3.15Å; R213-H327 PolarHBondContact NE-CE1 2.83Å; R323-H327 WeakPolarHBondContact O-CB 3.48Å; R323-H327 PolarHBondContact O-N 2.96Å; R324-H327 PolarHBondContact O-N 3.01Å; F325-H327 VanDerWaalsContact C-N 3.32Å; F325-H327 PolarHBondContact O-N 3.08Å; H327-H330 PolarHBondContact O-N 3.21Å; H327-F331 WeakPolarHBondContact O-CB 3.4Å; H327-F331 PolarHBondContact O-N 3.02Å |
| 328 | T | 93 | Very high | 92.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | 175.8 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | L247 L250 R324 F325 F331 C332 | L247-T328 HydrophobicContact CD2-CG2 3.72Å; L247-T328 HydrophobicContact CG-CG2 4.14Å; L250-T328 HydrophobicContact CD1-CG2 4.09Å; L250-T328 WeakPolarHBondContact CD1-OG1 3.43Å; R324-T328 PolarHBondContact O-N 3.43Å; R324-T328 VanDerWaalsContact O-N 3.11Å; R324-T328 PolarHBondContact O-OG1 3.45Å; R324-T328 VanDerWaalsContact O-OG1 3.09Å; F325-T328 PolarHBondContact O-N 3.25Å; T328-F331 PolarHBondContact O-N 3.15Å; T328-C332 PolarHBondContact O-N 3.5Å; T328-C332 PolarHBondContact O-SG 3.15Å |
| 329 | L | 95 | Very high | 93.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 173.6 | -178.4 | 66.3 | 0 | 0 | 0 | 111.3 | L247 F325 L326 C332 N333 F382 L386 F395 | L247-L329 HydrophobicContact CD2-CB 4.18Å; F325-L329 HydrophobicContact CE1-CB 4.18Å; F325-L329 HydrophobicContact CE1-CD2 4.03Å; F325-L329 WeakPolarHBondContact O-CB 3.29Å; F325-L329 PolarHBondContact O-N 2.8Å; L326-L329 PolarHBondContact O-N 3.33Å; L329-C332 PolarHBondContact O-N 3.28Å; L329-N333 WeakPolarHBondContact O-CB 3.28Å; L329-N333 PolarHBondContact O-N 2.94Å; L329-F382 HydrophobicContact CD2-CB 3.98Å; L329-F382 HydrophobicContact CD2-CD1 4.12Å; L329-F382 HydrophobicContact CD2-CG 4.1Å; L329-L386 HydrophobicContact CD1-CD2 4.28Å; L329-L386 HydrophobicContact CG-CD2 4.36Å; L329-F395 HydrophobicContact CD1-CE2 4.45Å; L329-F395 HydrophobicContact CD1-CZ 4.43Å |
| 330 | H | 93.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 37 Ų | 37 | 35% | 0.347 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 175.7 | -176.5 | 75.5 | 0 | 0 | 0 | 111.5 | L326 H327 C332 N333 L334 | L326-H330 WeakPolarHBondContact O-CB 3.41Å; L326-H330 PolarHBondContact O-N 2.87Å; H327-H330 PolarHBondContact O-N 3.21Å; H330-C332 PolarHBondContact O-N 3Å; H330-N333 WeakPolarHBondContact O-CB 3.22Å; H330-N333 PolarHBondContact O-N 2.83Å; H330-L334 PolarHBondContact O-N 3.45Å |
| 331 | F | 95 | Very high | 94.1 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -42.4 | 173.9 | 175.7 | -93.2 | 0 | 0 | 0 | 112.6 | V202 R213 L216 L217 F220 L243 H327 T328 L334 T335 | V202-F331 HydrophobicContact CG1-CD1 4.36Å; V202-F331 HydrophobicContact CG1-CE1 3.94Å; V202-F331 HydrophobicContact CG1-CZ 4.19Å; R213-F331 HydrophobicContact CB-CD2 3.71Å; R213-F331 HydrophobicContact CB-CE2 3.68Å; R213-F331 HydrophobicContact CG-CD2 3.68Å; R213-F331 HydrophobicContact CG-CE2 3.82Å; R213-F331 HydrophobicContact CG-CG 4.18Å; R213-F331 HydrophobicContact CG-CZ 4.43Å; R213-F331 WeakPolarHBondContact O-CE2 3.43Å; L216-F331 HydrophobicContact CB-CE2 4.36Å; L216-F331 HydrophobicContact CB-CZ 3.92Å; L216-F331 HydrophobicContact CD1-CZ 4.25Å; L217-F331 HydrophobicContact CD2-CD2 3.95Å; L217-F331 HydrophobicContact CD2-CE2 3.77Å; L217-F331 HydrophobicContact CG-CD2 4.18Å; L217-F331 HydrophobicContact CG-CE2 3.84Å; F220-F331 HydrophobicContact CE2-CE1 4.35Å; F220-F331 AromaticContact CE2-CZ 3.98Å; F220-F331 HydrophobicContact CE2-CZ 3.98Å; L243-F331 HydrophobicContact CD1-CE1 3.94Å; L243-F331 HydrophobicContact CD2-CD1 3.99Å; L243-F331 HydrophobicContact CD2-CE1 3.57Å; L243-F331 HydrophobicContact CG-CE1 4.43Å; H327-F331 WeakPolarHBondContact O-CB 3.4Å; H327-F331 PolarHBondContact O-N 3.02Å; T328-F331 PolarHBondContact O-N 3.15Å; F331-L334 PolarHBondContact O-N 3.04Å; F331-T335 WeakPolarHBondContact O-CB 3.18Å; F331-T335 PolarHBondContact O-N 3.34Å; F331-T335 PolarHBondContact O-OG1 3Å |
| 332 | C | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.4 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | T328 L329 H330 T335 I336 I351 | T328-C332 PolarHBondContact O-N 3.5Å; T328-C332 PolarHBondContact O-SG 3.15Å; L329-C332 PolarHBondContact O-N 3.28Å; H330-C332 PolarHBondContact O-N 3Å; C332-T335 WeakPolarHBondContact O-CB 3.18Å; C332-T335 PolarHBondContact O-N 3.27Å; C332-I336 WeakPolarHBondContact O-CB 3.33Å; C332-I336 WeakPolarHBondContact O-CD1 3.25Å; C332-I336 WeakPolarHBondContact O-CG1 3.18Å; C332-I336 PolarHBondContact O-N 3.46Å; C332-I351 HydrophobicContact CB-CD1 4.21Å |
| 333 | N | 95.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.2 | 173.6 | 91.8 | 0 | 0 | 0 | 111.3 | L329 H330 I336 K337 L386 T387 E388 | L329-N333 WeakPolarHBondContact O-CB 3.28Å; L329-N333 PolarHBondContact O-N 2.94Å; H330-N333 WeakPolarHBondContact O-CB 3.22Å; H330-N333 PolarHBondContact O-N 2.83Å; N333-I336 PolarHBondContact O-N 3.19Å; N333-K337 PolarHBondContact O-N 3.18Å; N333-L386 HydrophobicContact CB-CD2 4.06Å; N333-T387 PolarHBondContact ND2-OG1 3.12Å; N333-T387 PolarHBondContact OD1-N 2.81Å; N333-T387 VanDerWaalsContact OD1-N 3.09Å; N333-E388 WeakPolarHBondContact O-CG 3.4Å; N333-E388 PolarHBondContact OD1-N 2.8Å; N333-E388 VanDerWaalsContact OD1-N 3.08Å |
| 334 | L | 95.8 | Very high | 95 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 174.6 | -122.3 | 68.3 | 0 | 0 | 0 | 112.8 | L217 H330 F331 I336 K337 I338 | L217-L334 HydrophobicContact CD1-CD2 4.05Å; L217-L334 HydrophobicContact CD2-CB 4.08Å; L217-L334 HydrophobicContact CD2-CD2 4.4Å; H330-L334 PolarHBondContact O-N 3.45Å; F331-L334 PolarHBondContact O-N 3.04Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 2.92Å; L334-K337 VanDerWaalsContact O-CB 3.27Å; L334-K337 WeakPolarHBondContact O-CB 3.08Å; L334-K337 PolarHBondContact O-N 2.98Å; L334-K337 VanDerWaalsContact O-N 3.12Å; L334-I338 WeakPolarHBondContact O-CG1 3.24Å; L334-I338 PolarHBondContact O-N 3.27Å |
| 335 | T | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 175.2 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | F220 F331 C332 K337 I338 A339 L347 | F220-T335 HydrophobicContact CD1-CG2 4.14Å; F220-T335 HydrophobicContact CD2-CG2 3.53Å; F220-T335 HydrophobicContact CE1-CG2 4.07Å; F220-T335 HydrophobicContact CE2-CG2 3.43Å; F220-T335 VanDerWaalsContact CE2-CG2 3.43Å; F220-T335 HydrophobicContact CG-CG2 3.9Å; F220-T335 HydrophobicContact CZ-CG2 3.72Å; F331-T335 WeakPolarHBondContact O-CB 3.18Å; F331-T335 PolarHBondContact O-N 3.34Å; F331-T335 PolarHBondContact O-OG1 3Å; C332-T335 WeakPolarHBondContact O-CB 3.18Å; C332-T335 PolarHBondContact O-N 3.27Å; T335-K337 PolarHBondContact O-N 3.3Å; T335-I338 PolarHBondContact O-N 2.97Å; T335-A339 HydrophobicContact CG2-CB 4.28Å; T335-A339 WeakPolarHBondContact O-CB 3.41Å; T335-A339 PolarHBondContact O-N 3.46Å; T335-L347 HydrophobicContact CG2-CD2 3.63Å |
| 336 | I | 96.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -28.1 | 177.9 | -78.9 | 163.8 | 0 | 0 | 0 | 113 | C332 N333 L334 R344 L347 L348 I351 E388 M391 | C332-I336 WeakPolarHBondContact O-CB 3.33Å; C332-I336 WeakPolarHBondContact O-CD1 3.25Å; C332-I336 WeakPolarHBondContact O-CG1 3.18Å; C332-I336 PolarHBondContact O-N 3.46Å; N333-I336 PolarHBondContact O-N 3.19Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 2.92Å; I336-R344 HydrophobicContact CB-CG 4.2Å; I336-R344 HydrophobicContact CG1-CG 4.17Å; I336-R344 HydrophobicContact CG2-CG 3.92Å; I336-R344 VanDerWaalsContact O-CD 3.28Å; I336-R344 WeakPolarHBondContact O-CD 3.07Å; I336-R344 WeakPolarHBondContact O-CG 3.45Å; I336-L347 HydrophobicContact CD1-CD2 4.46Å; I336-L347 HydrophobicContact CG1-CD2 4.12Å; I336-L348 HydrophobicContact CD1-CD2 3.7Å; I336-L348 HydrophobicContact CD1-CG 4.1Å; I336-L348 HydrophobicContact CG1-CD2 4.46Å; I336-L348 HydrophobicContact CG1-CG 4.42Å; I336-I351 HydrophobicContact CD1-CD1 4.33Å; I336-E388 HydrophobicContact CG2-CB 4.13Å; I336-M391 HydrophobicContact CD1-CB 4.32Å; I336-M391 HydrophobicContact CD1-CG 4.21Å; I336-M391 HydrophobicContact CD1-SD 3.27Å; I336-M391 WeakPolarHBondContact CD1-SD 3.35Å |
| 337 | K | 95.1 | Very high | 95.7 | Very high | 122 Ų | 122 | 33.7 Ų | 33.7 | 53% | 0.53 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -72.8 | -40.5 | 176.1 | -168.9 | -179.3 | -154.2 | 74.5 | 0 | 113.3 | N333 L334 T335 E388 | N333-K337 PolarHBondContact O-N 3.18Å; L334-K337 VanDerWaalsContact O-CB 3.27Å; L334-K337 WeakPolarHBondContact O-CB 3.08Å; L334-K337 PolarHBondContact O-N 2.98Å; L334-K337 VanDerWaalsContact O-N 3.12Å; T335-K337 PolarHBondContact O-N 3.3Å; K337-E388 HydrophobicContact CB-CG 3.92Å; K337-E388 HydrophobicContact CG-CG 4.49Å; K337-E388 VanDerWaalsContact CG-OE2 3.3Å; K337-E388 WeakPolarHBondContact CG-OE2 3.5Å; K337-E388 IonicContact NZ-OE1 3.67Å; K337-E388 PolarHBondContact NZ-OE1 3.03Å; K337-E388 IonicContact NZ-OE2 3.74Å; K337-E388 PolarHBondContact NZ-OE2 2.77Å |
| 338 | I | 95.4 | Very high | 96 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 25% | 0.251 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -109.6 | -21.7 | -162.9 | 69.5 | -172.2 | 0 | 0 | 0 | 114.8 | L217 F220 N224 L334 T335 | L217-I338 HydrophobicContact CB-CD1 4.03Å; L217-I338 HydrophobicContact CD2-CD1 3.82Å; L217-I338 VanDerWaalsContact O-CD1 3.23Å; L217-I338 WeakPolarHBondContact O-CD1 3.48Å; F220-I338 HydrophobicContact CB-CD1 4.28Å; F220-I338 HydrophobicContact CB-CG1 3.98Å; N224-I338 WeakPolarHBondContact CB-O 3.49Å; L334-I338 WeakPolarHBondContact O-CG1 3.24Å; L334-I338 PolarHBondContact O-N 3.27Å; T335-I338 PolarHBondContact O-N 2.97Å |
| 339 | A | 96 | Very high | 96.2 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -73.2 | 162.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F220 T335 V343 | F220-A339 HydrophobicContact CB-CB 3.96Å; F220-A339 HydrophobicContact CD1-CB 4.02Å; F220-A339 HydrophobicContact CG-CB 4.2Å; T335-A339 HydrophobicContact CG2-CB 4.28Å; T335-A339 WeakPolarHBondContact O-CB 3.41Å; T335-A339 PolarHBondContact O-N 3.46Å; A339-V343 HydrophobicContact CB-CB 4Å; A339-V343 HydrophobicContact CB-CG1 3.93Å |
| 340 | H | 97.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | trans | -53.7 | 142.4 | 169.6 | -171.8 | -103.6 | 0 | 0 | 0 | 111.4 | S223 H342 V343 R344 | S223-H340 WeakPolarHBondContact O-CB 3.22Å; S223-H340 PolarHBondContact O-CD2 3.43Å; S223-H340 PolarHBondContact OG-N 2.95Å; H340-H342 VanDerWaalsContact C-N 3.3Å; H340-H342 AromaticContact CE1-CD2 3.43Å; H340-H342 PolarHBondContact CE1-CD2 3.05Å; H340-H342 VanDerWaalsContact CE1-CD2 3.43Å; H340-H342 AromaticContact CE1-CG 3.89Å; H340-H342 AromaticContact ND1-CD2 3.82Å; H340-H342 AromaticContact ND1-CG 3.93Å; H340-H342 PolarHBondContact ND1-N 3.02Å; H340-H342 PolarHBondContact O-N 3.35Å; H340-H342 VanDerWaalsContact O-N 3.15Å; H340-V343 HydrophobicContact CB-CG2 4.07Å; H340-V343 WeakPolarHBondContact O-CB 3.23Å; H340-V343 PolarHBondContact O-N 3.39Å; H340-R344 PolarHBondContact O-N 3.44Å | ||
| 341 | P | 96.4 | Very high | 96.5 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 31% | 0.312 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -47.8 | -44.3 | -180 | -33.7 | 38.1 | 0 | 0 | 0 | 115.1 | V343 R344 D345 | P341-V343 VanDerWaalsContact C-N 3.35Å; P341-V343 PolarHBondContact O-N 3.02Å; P341-R344 PolarHBondContact O-N 3.01Å; P341-D345 WeakPolarHBondContact O-CB 3.35Å; P341-D345 PolarHBondContact O-N 3.41Å |
| 342 | H | 97 | Very high | 96.6 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 36% | 0.361 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 176.6 | -66.7 | -40 | 0 | 0 | 0 | 113.3 | A234 Y235 H340 Q346 | A234-H342 HydrophobicContact CB-CB 3.81Å; Y235-H342 HydrophobicContact CE2-CB 4.04Å; Y235-H342 PolarHBondContact OH-ND1 3.03Å; H340-H342 VanDerWaalsContact C-N 3.3Å; H340-H342 AromaticContact CE1-CD2 3.43Å; H340-H342 PolarHBondContact CE1-CD2 3.05Å; H340-H342 VanDerWaalsContact CE1-CD2 3.43Å; H340-H342 AromaticContact CE1-CG 3.89Å; H340-H342 AromaticContact ND1-CD2 3.82Å; H340-H342 AromaticContact ND1-CG 3.93Å; H340-H342 PolarHBondContact ND1-N 3.02Å; H340-H342 PolarHBondContact O-N 3.35Å; H340-H342 VanDerWaalsContact O-N 3.15Å; H342-Q346 WeakPolarHBondContact O-CB 3.13Å; H342-Q346 PolarHBondContact O-N 3.37Å |
| 343 | V | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -45.3 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | F220 G230 L233 A234 A339 H340 P341 L347 | F220-V343 HydrophobicContact CD1-CG1 3.97Å; F220-V343 HydrophobicContact CE1-CG1 3.71Å; G230-V343 VanDerWaalsContact O-CG2 3.28Å; G230-V343 WeakPolarHBondContact O-CG2 3.36Å; L233-V343 HydrophobicContact CB-CG1 4.43Å; L233-V343 HydrophobicContact CB-CG2 3.63Å; A234-V343 HydrophobicContact CB-CG2 4.07Å; A339-V343 HydrophobicContact CB-CB 4Å; A339-V343 HydrophobicContact CB-CG1 3.93Å; H340-V343 HydrophobicContact CB-CG2 4.07Å; H340-V343 WeakPolarHBondContact O-CB 3.23Å; H340-V343 PolarHBondContact O-N 3.39Å; P341-V343 VanDerWaalsContact C-N 3.35Å; P341-V343 PolarHBondContact O-N 3.02Å; V343-L347 VanDerWaalsContact O-CB 3.26Å; V343-L347 WeakPolarHBondContact O-CB 3.46Å; V343-L347 PolarHBondContact O-N 3.45Å |
| 344 | R | 96.7 | Very high | 96.4 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 175.8 | 179.5 | -164.7 | 65.7 | -141.7 | -8.8 | 111.3 | I336 H340 P341 Q346 L347 L348 | I336-R344 HydrophobicContact CB-CG 4.2Å; I336-R344 HydrophobicContact CG1-CG 4.17Å; I336-R344 HydrophobicContact CG2-CG 3.92Å; I336-R344 VanDerWaalsContact O-CD 3.28Å; I336-R344 WeakPolarHBondContact O-CD 3.07Å; I336-R344 WeakPolarHBondContact O-CG 3.45Å; H340-R344 PolarHBondContact O-N 3.44Å; P341-R344 PolarHBondContact O-N 3.01Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-Q346 PolarHBondContact O-N 2.85Å; R344-L347 PolarHBondContact O-N 3.09Å; R344-L348 HydrophobicContact CG-CD1 4Å; R344-L348 WeakPolarHBondContact O-CB 3.35Å; R344-L348 VanDerWaalsContact O-CG 3.28Å; R344-L348 WeakPolarHBondContact O-CG 3.48Å; R344-L348 PolarHBondContact O-N 3Å |
| 345 | D | 96.4 | Very high | 96.4 | Very high | 77 Ų | 77 | 39.8 Ų | 39.8 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.4 | -35.1 | -174.1 | -60.8 | -14.1 | 0 | 0 | 0 | 110.9 | P341 Y349 | P341-D345 WeakPolarHBondContact O-CB 3.35Å; P341-D345 PolarHBondContact O-N 3.41Å; D345-Y349 PolarHBondContact O-N 3.03Å |
| 346 | Q | 97.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 39.8 Ų | 39.8 | 22% | 0.22 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69 | -42 | 172.3 | -168.3 | 78.9 | -16.1 | 0 | 0 | 112.7 | A234 C240 H342 R344 Y349 F350 | A234-Q346 WeakPolarHBondContact O-CG 3.48Å; A234-Q346 PolarHBondContact O-NE2 3.12Å; C240-Q346 HydrophobicContact CB-CG 4.18Å; H342-Q346 WeakPolarHBondContact O-CB 3.13Å; H342-Q346 PolarHBondContact O-N 3.37Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-Q346 PolarHBondContact O-N 2.85Å; Q346-Y349 WeakPolarHBondContact O-CB 3.15Å; Q346-Y349 PolarHBondContact O-N 2.9Å; Q346-F350 HydrophobicContact CG-CD2 3.94Å; Q346-F350 HydrophobicContact CG-CE2 3.69Å; Q346-F350 VanDerWaalsContact O-CD2 3.29Å; Q346-F350 WeakPolarHBondContact O-CD2 3.48Å; Q346-F350 PolarHBondContact O-N 2.96Å |
| 347 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 176 | 179 | 57.3 | 0 | 0 | 0 | 111.3 | L243 T335 I336 V343 R344 Y349 F350 I351 | L243-L347 HydrophobicContact CB-CD1 3.84Å; L243-L347 HydrophobicContact CD1-CD1 4.11Å; L243-L347 HydrophobicContact CD1-CD2 4.13Å; T335-L347 HydrophobicContact CG2-CD2 3.63Å; I336-L347 HydrophobicContact CD1-CD2 4.46Å; I336-L347 HydrophobicContact CG1-CD2 4.12Å; V343-L347 VanDerWaalsContact O-CB 3.26Å; V343-L347 WeakPolarHBondContact O-CB 3.46Å; V343-L347 PolarHBondContact O-N 3.45Å; R344-L347 PolarHBondContact O-N 3.09Å; L347-Y349 VanDerWaalsContact C-N 3.34Å; L347-Y349 PolarHBondContact O-N 3.16Å; L347-F350 PolarHBondContact O-N 3.3Å; L347-I351 HydrophobicContact CD1-CD1 3.86Å; L347-I351 HydrophobicContact CD1-CG1 4.07Å; L347-I351 HydrophobicContact CG-CD1 3.86Å; L347-I351 HydrophobicContact CG-CG1 4.48Å; L347-I351 VanDerWaalsContact O-CG1 3.28Å; L347-I351 WeakPolarHBondContact O-CG1 3.37Å; L347-I351 PolarHBondContact O-N 3.16Å |
| 348 | L | 97.4 | Very high | 96.2 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 171.9 | -73.7 | 168.3 | 0 | 0 | 0 | 111.6 | I336 R344 I351 H352 M391 L394 | I336-L348 HydrophobicContact CD1-CD2 3.7Å; I336-L348 HydrophobicContact CD1-CG 4.1Å; I336-L348 HydrophobicContact CG1-CD2 4.46Å; I336-L348 HydrophobicContact CG1-CG 4.42Å; R344-L348 HydrophobicContact CG-CD1 4Å; R344-L348 WeakPolarHBondContact O-CB 3.35Å; R344-L348 VanDerWaalsContact O-CG 3.28Å; R344-L348 WeakPolarHBondContact O-CG 3.48Å; R344-L348 PolarHBondContact O-N 3Å; L348-I351 PolarHBondContact O-N 3.3Å; L348-H352 WeakPolarHBondContact O-CB 3.41Å; L348-H352 PolarHBondContact O-N 3.3Å; L348-M391 HydrophobicContact CD2-SD 3.65Å; L348-L394 HydrophobicContact CB-CD1 4.36Å; L348-L394 HydrophobicContact CB-CD2 4.5Å; L348-L394 HydrophobicContact CD2-CB 4.18Å; L348-L394 HydrophobicContact CD2-CD1 4.37Å; L348-L394 HydrophobicContact CD2-CD2 3.96Å; L348-L394 HydrophobicContact CD2-CG 4.41Å; L348-L394 WeakPolarHBondContact O-CD2 3.41Å |
| 349 | Y | 96.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 38.2 Ų | 38.2 | 54% | 0.541 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 175 | 171.8 | -97.3 | 0 | 0 | 0 | 112.5 | D345 Q346 L347 H352 S353 | D345-Y349 PolarHBondContact O-N 3.03Å; Q346-Y349 WeakPolarHBondContact O-CB 3.15Å; Q346-Y349 PolarHBondContact O-N 2.9Å; L347-Y349 VanDerWaalsContact C-N 3.34Å; L347-Y349 PolarHBondContact O-N 3.16Å; Y349-H352 PolarHBondContact O-N 2.97Å; Y349-S353 WeakPolarHBondContact O-CB 3.46Å; Y349-S353 PolarHBondContact O-N 3.39Å; Y349-S353 PolarHBondContact O-OG 3.07Å |
| 350 | F | 97.5 | Very high | 96.1 | Very high | 53 Ų | 53 | 38 Ų | 38 | 23% | 0.232 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.2 | -34.1 | 178.8 | -77.2 | -60.6 | 0 | 0 | 0 | 113.3 | C240 P241 A244 Q346 L347 G354 | C240-F350 HydrophobicContact CB-CD2 3.79Å; C240-F350 HydrophobicContact CB-CE2 4.16Å; P241-F350 HydrophobicContact CB-CD1 4.06Å; P241-F350 HydrophobicContact CB-CD2 4.24Å; P241-F350 HydrophobicContact CB-CE1 3.97Å; P241-F350 HydrophobicContact CB-CE2 4.15Å; P241-F350 HydrophobicContact CB-CG 4.2Å; P241-F350 HydrophobicContact CB-CZ 4.01Å; P241-F350 HydrophobicContact CG-CE2 4.13Å; P241-F350 HydrophobicContact CG-CZ 4.16Å; A244-F350 VanDerWaalsContact CB-C 3.48Å; A244-F350 HydrophobicContact CB-CB 3.67Å; A244-F350 WeakPolarHBondContact CB-O 3.34Å; Q346-F350 HydrophobicContact CG-CD2 3.94Å; Q346-F350 HydrophobicContact CG-CE2 3.69Å; Q346-F350 VanDerWaalsContact O-CD2 3.29Å; Q346-F350 WeakPolarHBondContact O-CD2 3.48Å; Q346-F350 PolarHBondContact O-N 2.96Å; L347-F350 PolarHBondContact O-N 3.3Å; F350-G354 VanDerWaalsContact O-CA 3.27Å; F350-G354 WeakPolarHBondContact O-CA 3.49Å; F350-G354 PolarHBondContact O-N 2.8Å |
| 351 | I | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.1 | -38 | 174.5 | -63.8 | 166 | 0 | 0 | 0 | 110.8 | A244 L247 C332 I336 L347 L348 F355 L356 M391 L394 | A244-I351 HydrophobicContact CB-CG1 4.03Å; L247-I351 HydrophobicContact CD1-CD1 4.36Å; L247-I351 HydrophobicContact CD1-CG1 4.24Å; C332-I351 HydrophobicContact CB-CD1 4.21Å; I336-I351 HydrophobicContact CD1-CD1 4.33Å; L347-I351 HydrophobicContact CD1-CD1 3.86Å; L347-I351 HydrophobicContact CD1-CG1 4.07Å; L347-I351 HydrophobicContact CG-CD1 3.86Å; L347-I351 HydrophobicContact CG-CG1 4.48Å; L347-I351 VanDerWaalsContact O-CG1 3.28Å; L347-I351 WeakPolarHBondContact O-CG1 3.37Å; L347-I351 PolarHBondContact O-N 3.16Å; L348-I351 PolarHBondContact O-N 3.3Å; I351-F355 HydrophobicContact CG2-CB 4.47Å; I351-F355 HydrophobicContact CG2-CD1 4.08Å; I351-F355 WeakPolarHBondContact O-CB 3.34Å; I351-F355 PolarHBondContact O-N 3.38Å; I351-L356 HydrophobicContact CG2-CG 4.25Å; I351-L356 PolarHBondContact O-N 3.01Å; I351-M391 HydrophobicContact CB-CE 4.26Å; I351-M391 HydrophobicContact CD1-CE 4.11Å; I351-M391 HydrophobicContact CD1-SD 4.14Å; I351-M391 HydrophobicContact CG2-CE 3.56Å; I351-L394 HydrophobicContact CB-CD2 4.21Å; I351-L394 HydrophobicContact CG2-CD2 4.23Å |
| 352 | H | 96.9 | Very high | 95.8 | Very high | 36 Ų | 36 | 37 Ų | 37 | 17% | 0.167 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -63.7 | -56.5 | 174.1 | 176.5 | -87.8 | 0 | 0 | 0 | 112 | L348 Y349 L356 V357 L394 E402 | L348-H352 WeakPolarHBondContact O-CB 3.41Å; L348-H352 PolarHBondContact O-N 3.3Å; Y349-H352 PolarHBondContact O-N 2.97Å; H352-L356 PolarHBondContact O-N 3.35Å; H352-V357 PolarHBondContact O-N 3.02Å; H352-L394 HydrophobicContact CB-CD1 4.16Å; H352-L394 HydrophobicContact CB-CD2 4.1Å; H352-L394 HydrophobicContact CB-CG 4.31Å; H352-E402 IonicContact CD2-OE1 2.97Å; H352-E402 IonicContact CE1-OE1 3.85Å; H352-E402 VanDerWaalsContact NE2-CD 3.3Å; H352-E402 IonicContact NE2-OE1 2.82Å; H352-E402 PolarHBondContact NE2-OE1 2.69Å; H352-E402 IonicContact NE2-OE2 2.76Å |
| 353 | S | 94.3 | Very high | 95.7 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 32% | 0.315 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -77.8 | -27.7 | -172.5 | 58.4 | 0 | 0 | 0 | 0 | 114.7 | Y349 P358 | Y349-S353 WeakPolarHBondContact O-CB 3.46Å; Y349-S353 PolarHBondContact O-N 3.39Å; Y349-S353 PolarHBondContact O-OG 3.07Å; S353-P358 VanDerWaalsContact O-CD 3.26Å; S353-P358 WeakPolarHBondContact O-CD 3.27Å; S353-P358 WeakPolarHBondContact O-CG 3.4Å |
| 354 | G | 93.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 26% | 0.258 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -105.1 | -17.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | S248 F350 | S248-G354 PolarHBondContact OG-O 2.8Å; F350-G354 VanDerWaalsContact O-CA 3.27Å; F350-G354 WeakPolarHBondContact O-CA 3.49Å; F350-G354 PolarHBondContact O-N 2.8Å |
| 355 | F | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -125.3 | -60.4 | 178 | 170.8 | -118.6 | 0 | 0 | 0 | 113 | L247 S248 Y251 F325 I351 V359 L360 F382 F395 | L247-F355 HydrophobicContact CB-CG 4.33Å; S248-F355 VanDerWaalsContact OG-CA 3.31Å; S248-F355 WeakPolarHBondContact OG-CA 3.38Å; S248-F355 WeakPolarHBondContact OG-CB 3.28Å; Y251-F355 HydrophobicContact CD1-CE2 4.48Å; Y251-F355 AromaticContact CD2-CE2 3.82Å; Y251-F355 HydrophobicContact CD2-CE2 3.82Å; Y251-F355 AromaticContact CD2-CZ 3.95Å; Y251-F355 HydrophobicContact CD2-CZ 3.95Å; Y251-F355 AromaticContact CG-CE2 3.72Å; Y251-F355 HydrophobicContact CG-CE2 3.72Å; Y251-F355 HydrophobicContact CG-CZ 4.33Å; F325-F355 HydrophobicContact CE2-CE2 4.17Å; F325-F355 AromaticContact CE2-CZ 3.93Å; F325-F355 HydrophobicContact CE2-CZ 3.93Å; F325-F355 HydrophobicContact CZ-CE1 4.12Å; F325-F355 HydrophobicContact CZ-CE2 4.36Å; F325-F355 AromaticContact CZ-CZ 3.67Å; F325-F355 HydrophobicContact CZ-CZ 3.67Å; I351-F355 HydrophobicContact CG2-CB 4.47Å; I351-F355 HydrophobicContact CG2-CD1 4.08Å; I351-F355 WeakPolarHBondContact O-CB 3.34Å; I351-F355 PolarHBondContact O-N 3.38Å; F355-V359 HydrophobicContact CD2-CB 4.13Å; F355-V359 HydrophobicContact CD2-CG1 4.43Å; F355-V359 HydrophobicContact CE2-CG1 4.42Å; F355-V359 WeakPolarHBondContact O-CA 3.49Å; F355-V359 WeakPolarHBondContact O-CB 3.48Å; F355-V359 PolarHBondContact O-N 2.73Å; F355-L360 HydrophobicContact CE1-CD2 4.45Å; F355-L360 HydrophobicContact CZ-CB 4.39Å; F355-L360 HydrophobicContact CZ-CD2 4.34Å; F355-L360 PolarHBondContact O-N 2.97Å; F355-L360 VanDerWaalsContact O-N 3.11Å; F355-F382 HydrophobicContact CZ-CE2 4.17Å; F355-F395 HydrophobicContact CE1-CZ 4.28Å |
| 356 | L | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -62.1 | -56.9 | -170.8 | -65 | -179.9 | 0 | 0 | 0 | 112 | I351 H352 L360 G361 L394 F395 F398 | I351-L356 HydrophobicContact CG2-CG 4.25Å; I351-L356 PolarHBondContact O-N 3.01Å; H352-L356 PolarHBondContact O-N 3.35Å; L356-L360 HydrophobicContact CD2-CD2 3.94Å; L356-L360 WeakPolarHBondContact O-CB 3.5Å; L356-L360 PolarHBondContact O-N 3.45Å; L356-G361 PolarHBondContact O-N 3.41Å; L356-L394 HydrophobicContact CD1-CD2 3.8Å; L356-L394 HydrophobicContact CD1-CG 3.97Å; L356-F395 HydrophobicContact CD2-CD1 3.77Å; L356-F395 HydrophobicContact CD2-CD2 4.46Å; L356-F395 HydrophobicContact CD2-CE1 3.44Å; L356-F395 VanDerWaalsContact CD2-CE1 3.44Å; L356-F395 HydrophobicContact CD2-CE2 4.19Å; L356-F395 HydrophobicContact CD2-CG 4.3Å; L356-F395 HydrophobicContact CD2-CZ 3.69Å; L356-F398 VanDerWaalsContact C-CE2 3.48Å; L356-F398 HydrophobicContact CB-CB 4.36Å; L356-F398 HydrophobicContact CB-CD1 4.44Å; L356-F398 HydrophobicContact CB-CD2 3.75Å; L356-F398 HydrophobicContact CB-CE2 4.12Å; L356-F398 HydrophobicContact CB-CG 3.92Å; L356-F398 HydrophobicContact CD1-CB 3.96Å; L356-F398 HydrophobicContact CD1-CG 4.29Å; L356-F398 HydrophobicContact CD2-CD1 4.43Å; L356-F398 WeakPolarHBondContact O-CE2 3.21Å; L356-F398 WeakPolarHBondContact O-CZ 3.34Å |
| 357 | V | 93.4 | Very high | 94.2 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -66.5 | -55.6 | -178.8 | 177.7 | 0 | 0 | 0 | 0 | 112.7 | H352 F398 E402 | H352-V357 PolarHBondContact O-N 3.02Å; V357-F398 HydrophobicContact CG2-CD2 4.41Å; V357-E402 HydrophobicContact CG2-CG 4.25Å |
| 358 | P | 93.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 37 Ų | 37 | 41% | 0.409 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -78.9 | -30.4 | -171 | 30.6 | -37.2 | 0 | 0 | 0 | 114.7 | S353 S362 | S353-P358 VanDerWaalsContact O-CD 3.26Å; S353-P358 WeakPolarHBondContact O-CD 3.27Å; S353-P358 WeakPolarHBondContact O-CG 3.4Å; P358-S362 VanDerWaalsContact O-CB 3.29Å; P358-S362 WeakPolarHBondContact O-CB 3.18Å |
| 359 | V | 94.9 | Very high | 93.4 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -103 | -57.5 | -174.9 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | Y251 F355 S362 A363 | Y251-V359 HydrophobicContact CD1-CG1 3.44Å; Y251-V359 VanDerWaalsContact CD1-CG1 3.44Å; Y251-V359 HydrophobicContact CE1-CG1 4.03Å; Y251-V359 HydrophobicContact CG-CG1 4.17Å; F355-V359 HydrophobicContact CD2-CB 4.13Å; F355-V359 HydrophobicContact CD2-CG1 4.43Å; F355-V359 HydrophobicContact CE2-CG1 4.42Å; F355-V359 WeakPolarHBondContact O-CA 3.49Å; F355-V359 WeakPolarHBondContact O-CB 3.48Å; F355-V359 PolarHBondContact O-N 2.73Å; V359-S362 PolarHBondContact O-N 3.43Å; V359-A363 WeakPolarHBondContact O-CB 3.5Å; V359-A363 PolarHBondContact O-N 2.72Å |
| 360 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -73.2 | -39.5 | -176.1 | -171.3 | 56.8 | 0 | 0 | 0 | 111.8 | Y251 F355 L356 S362 A363 L364 L379 F382 F395 F398 | Y251-L360 HydrophobicContact CE2-CD1 3.84Å; F355-L360 HydrophobicContact CE1-CD2 4.45Å; F355-L360 HydrophobicContact CZ-CB 4.39Å; F355-L360 HydrophobicContact CZ-CD2 4.34Å; F355-L360 PolarHBondContact O-N 2.97Å; F355-L360 VanDerWaalsContact O-N 3.11Å; L356-L360 HydrophobicContact CD2-CD2 3.94Å; L356-L360 WeakPolarHBondContact O-CB 3.5Å; L356-L360 PolarHBondContact O-N 3.45Å; L360-S362 VanDerWaalsContact C-N 3.3Å; L360-S362 PolarHBondContact O-N 2.9Å; L360-A363 PolarHBondContact O-N 3Å; L360-L364 HydrophobicContact CG-CD1 4.23Å; L360-L364 WeakPolarHBondContact O-CB 3.42Å; L360-L364 WeakPolarHBondContact O-CD1 3.5Å; L360-L364 VanDerWaalsContact O-CG 3.22Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 3.47Å; L360-L379 HydrophobicContact CD2-CD1 4.04Å; L360-F382 HydrophobicContact CD2-CD2 4.46Å; L360-F395 HydrophobicContact CD2-CE1 4.04Å; L360-F398 HydrophobicContact CB-CZ 4.23Å; L360-F398 HydrophobicContact CD2-CE1 4.04Å; L360-F398 HydrophobicContact CG-CE1 4.14Å; L360-F398 HydrophobicContact CG-CZ 4.2Å |
| 361 | G | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L356 H365 H404 | L356-G361 PolarHBondContact O-N 3.41Å; G361-H365 PolarHBondContact O-ND1 2.98Å; G361-H404 VanDerWaalsContact C-CD2 3.42Å |
| 362 | S | 93.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.1 | -47.5 | 176.2 | -166 | 0 | 0 | 0 | 0 | 112.2 | P358 V359 L360 L364 H365 Q366 H404 | P358-S362 VanDerWaalsContact O-CB 3.29Å; P358-S362 WeakPolarHBondContact O-CB 3.18Å; V359-S362 PolarHBondContact O-N 3.43Å; L360-S362 VanDerWaalsContact C-N 3.3Å; L360-S362 PolarHBondContact O-N 2.9Å; S362-L364 PolarHBondContact O-N 3.5Å; S362-H365 CarbonylContact O-C 3.35Å; S362-H365 WeakPolarHBondContact O-CA 3.44Å; S362-H365 PolarHBondContact O-N 3.3Å; S362-Q366 PolarHBondContact O-N 2.9Å; S362-H404 VanDerWaalsContact CA-NE2 3.28Å; S362-H404 WeakPolarHBondContact CA-NE2 3.5Å; S362-H404 WeakPolarHBondContact CB-NE2 3.46Å; S362-H404 PolarHBondContact N-CD2 2.8Å |
| 363 | A | 93.7 | Very high | 92.4 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -38 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y251 V359 L360 H365 Q366 A375 | Y251-A363 HydrophobicContact CE1-CB 3.91Å; V359-A363 WeakPolarHBondContact O-CB 3.5Å; V359-A363 PolarHBondContact O-N 2.72Å; L360-A363 PolarHBondContact O-N 3Å; A363-H365 PolarHBondContact O-N 2.96Å; A363-Q366 PolarHBondContact O-OE1 2.82Å; A363-A375 HydrophobicContact CB-CB 3.94Å |
| 364 | L | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.2 | 174.3 | -71.5 | 166.3 | 0 | 0 | 0 | 113.7 | L360 S362 A375 L379 F398 I409 I413 R416 | L360-L364 HydrophobicContact CG-CD1 4.23Å; L360-L364 WeakPolarHBondContact O-CB 3.42Å; L360-L364 WeakPolarHBondContact O-CD1 3.5Å; L360-L364 VanDerWaalsContact O-CG 3.22Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 3.47Å; S362-L364 PolarHBondContact O-N 3.5Å; L364-A375 HydrophobicContact CD2-CB 4.11Å; L364-A375 HydrophobicContact CG-CB 4.44Å; L364-L379 HydrophobicContact CD1-CD2 4.06Å; L364-L379 HydrophobicContact CD2-CD2 4.47Å; L364-F398 HydrophobicContact CD1-CE1 4.08Å; L364-F398 HydrophobicContact CD1-CZ 4.04Å; L364-I409 HydrophobicContact CD1-CG2 4.29Å; L364-I413 HydrophobicContact CD1-CD1 4.5Å; L364-R416 PolarHBondContact O-NH1 3.09Å; L364-R416 PolarHBondContact O-NH2 2.88Å |
| 365 | H | 91.6 | Very high | 92.5 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 21% | 0.208 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 10 | -176.2 | -71.2 | 84 | 0 | 0 | 0 | 114.5 | G361 S362 A363 S412 | G361-H365 PolarHBondContact O-ND1 2.98Å; S362-H365 CarbonylContact O-C 3.35Å; S362-H365 WeakPolarHBondContact O-CA 3.44Å; S362-H365 PolarHBondContact O-N 3.3Å; A363-H365 PolarHBondContact O-N 2.96Å; H365-S412 WeakPolarHBondContact NE2-CB 3.42Å; H365-S412 PolarHBondContact NE2-OG 2.84Å |
| 366 | Q | 87.9 | Confident | 92.4 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | trans | -61.6 | 152.9 | 175.4 | -67.2 | 176 | -78.9 | 0 | 0 | 112.7 | S362 A363 A368 E371 V372 | S362-Q366 PolarHBondContact O-N 2.9Å; A363-Q366 PolarHBondContact O-OE1 2.82Å; Q366-A368 VanDerWaalsContact C-N 3.31Å; Q366-E371 PolarHBondContact NE2-OE1 3.48Å; Q366-E371 PolarHBondContact NE2-OE2 3.27Å; Q366-E371 VanDerWaalsContact OE1-CB 3.29Å; Q366-E371 PolarHBondContact OE1-OE2 2.92Å; Q366-V372 HydrophobicContact CB-CG2 4.17Å; Q366-V372 WeakPolarHBondContact O-CG2 3.4Å | ||
| 367 | S | 84.2 | Confident | 92.3 | Very high | 120 Ų | 120 | 30.2 Ų | 30.2 | 84% | 0.839 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -73.2 | -22.5 | 173.1 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | M369 | S367-M369 PolarHBondContact O-N 3.12Š|
| 368 | A | 89.7 | Confident | 92.5 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 31% | 0.306 | 17% | 0.169 | S | C | . | . | trans | -78.8 | 103.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q366 D370 E371 V372 | Q366-A368 VanDerWaalsContact C-N 3.31Å; A368-D370 PolarHBondContact O-N 2.98Å; A368-D370 VanDerWaalsContact O-N 3.09Å; A368-E371 HydrophobicContact CB-CB 4.3Å; A368-E371 HydrophobicContact CB-CG 3.88Å; A368-E371 PolarHBondContact O-N 2.85Å; A368-V372 PolarHBondContact O-N 3.03Å; A368-V372 VanDerWaalsContact O-N 3.15Å | ||
| 369 | M | 87.8 | Confident | 92.6 | Very high | 75 Ų | 75 | 25.2 Ų | 25.2 | 37% | 0.369 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -51.7 | -35.4 | -177.3 | -168.9 | 65.8 | 71.9 | 0 | 0 | 114 | S367 V372 I373 K427 L431 | S367-M369 PolarHBondContact O-N 3.12Å; M369-V372 PolarHBondContact O-N 3.43Å; M369-I373 HydrophobicContact CG-CD1 4Å; M369-I373 WeakPolarHBondContact O-CD1 3.39Å; M369-I373 WeakPolarHBondContact O-CG1 3.48Å; M369-I373 PolarHBondContact O-N 2.96Å; M369-K427 HydrophobicContact CB-CD 4.29Å; M369-K427 HydrophobicContact CG-CB 3.76Å; M369-K427 HydrophobicContact CG-CD 4.32Å; M369-L431 HydrophobicContact SD-CB 4.32Å; M369-L431 HydrophobicContact SD-CD1 4.17Å; M369-L431 HydrophobicContact SD-CD2 3.72Å; M369-L431 HydrophobicContact SD-CG 4.3Å |
| 370 | D | 89.4 | Confident | 92.6 | Very high | 34 Ų | 34 | 23.6 Ų | 23.6 | 18% | 0.182 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.4 | -41.1 | 179.4 | -63.8 | -19.4 | 0 | 0 | 0 | 112.1 | K256 K257 A368 I373 A374 K427 | K256-D370 CarbonylContact O-C 3.59Å; K257-D370 HydrophobicContact CB-CB 4.18Å; K257-D370 HydrophobicContact CD-CB 4.39Å; K257-D370 HydrophobicContact CG-CB 4.02Å; A368-D370 PolarHBondContact O-N 2.98Å; A368-D370 VanDerWaalsContact O-N 3.09Å; D370-I373 PolarHBondContact O-N 3.38Å; D370-A374 WeakPolarHBondContact O-CB 3.37Å; D370-A374 PolarHBondContact O-N 3.44Å; D370-K427 WeakPolarHBondContact OD1-CD 3.4Å; D370-K427 WeakPolarHBondContact OD1-CE 3.31Å; D370-K427 IonicContact OD1-NZ 2.92Å; D370-K427 PolarHBondContact OD1-NZ 3.2Å; D370-K427 IonicContact OD2-NZ 3.74Å; D370-K427 PolarHBondContact OD2-NZ 3.49Å |
| 371 | E | 91.8 | Very high | 92.6 | Very high | 45 Ų | 45 | 23.6 Ų | 23.6 | 21% | 0.21 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.4 | -37.4 | 178 | -54.4 | -165.8 | -124.6 | 0 | 0 | 110.8 | K256 Q366 A368 A374 A375 | K256-E371 HydrophobicContact CB-CG 4.18Å; K256-E371 WeakPolarHBondContact CD-OE2 3.45Å; K256-E371 IonicContact NZ-OE2 2.72Å; K256-E371 PolarHBondContact NZ-OE2 2.91Å; K256-E371 VanDerWaalsContact O-CA 3.31Å; K256-E371 WeakPolarHBondContact O-CA 3.27Å; K256-E371 PolarHBondContact O-N 3.07Å; Q366-E371 PolarHBondContact NE2-OE1 3.48Å; Q366-E371 PolarHBondContact NE2-OE2 3.27Å; Q366-E371 VanDerWaalsContact OE1-CB 3.29Å; Q366-E371 PolarHBondContact OE1-OE2 2.92Å; A368-E371 HydrophobicContact CB-CB 4.3Å; A368-E371 HydrophobicContact CB-CG 3.88Å; A368-E371 PolarHBondContact O-N 2.85Å; E371-A374 PolarHBondContact O-N 3.25Å; E371-A375 VanDerWaalsContact O-CB 3.27Å; E371-A375 WeakPolarHBondContact O-CB 3.39Å; E371-A375 PolarHBondContact O-N 3.44Å |
| 372 | V | 93.3 | Very high | 92.7 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | Q366 A368 M369 T376 L431 | Q366-V372 HydrophobicContact CB-CG2 4.17Å; Q366-V372 WeakPolarHBondContact O-CG2 3.4Å; A368-V372 PolarHBondContact O-N 3.03Å; A368-V372 VanDerWaalsContact O-N 3.15Å; M369-V372 PolarHBondContact O-N 3.43Å; V372-T376 WeakPolarHBondContact O-CB 3.26Å; V372-T376 PolarHBondContact O-N 2.83Å; V372-T376 PolarHBondContact O-OG1 3.49Å; V372-L431 HydrophobicContact CG1-CD1 3.85Å |
| 373 | I | 92.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 173.3 | -70.2 | 160.8 | 0 | 0 | 0 | 110 | W308 M369 D370 T376 A377 K427 Q430 L431 V434 | W308-I373 HydrophobicContact CZ3-CG2 4.32Å; M369-I373 HydrophobicContact CG-CD1 4Å; M369-I373 WeakPolarHBondContact O-CD1 3.39Å; M369-I373 WeakPolarHBondContact O-CG1 3.48Å; M369-I373 PolarHBondContact O-N 2.96Å; D370-I373 PolarHBondContact O-N 3.38Å; I373-T376 PolarHBondContact O-N 2.97Å; I373-A377 PolarHBondContact O-N 3.28Å; I373-K427 HydrophobicContact CD1-CB 4.19Å; I373-Q430 HydrophobicContact CD1-CB 3.89Å; I373-L431 HydrophobicContact CD1-CB 4.47Å; I373-L431 HydrophobicContact CG1-CB 4.01Å; I373-L431 HydrophobicContact CG1-CD1 3.84Å; I373-V434 HydrophobicContact CG2-CG1 4.25Å; I373-V434 HydrophobicContact CG2-CG2 4.22Å |
| 374 | A | 93.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.017 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L258 D370 E371 T376 A377 Y378 | L258-A374 HydrophobicContact CG-CB 4.17Å; D370-A374 WeakPolarHBondContact O-CB 3.37Å; D370-A374 PolarHBondContact O-N 3.44Å; E371-A374 PolarHBondContact O-N 3.25Å; A374-T376 VanDerWaalsContact C-N 3.3Å; A374-T376 PolarHBondContact O-N 2.89Å; A374-A377 PolarHBondContact O-N 3.42Å; A374-Y378 HydrophobicContact CB-CD2 4.36Å; A374-Y378 HydrophobicContact CB-CE2 4.03Å; A374-Y378 WeakPolarHBondContact O-CB 3.34Å; A374-Y378 WeakPolarHBondContact O-CD2 3.36Å; A374-Y378 VanDerWaalsContact O-CG 3.29Å; A374-Y378 PolarHBondContact O-N 2.88Å |
| 375 | A | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -36.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y251 A363 L364 E371 L379 | Y251-A375 WeakPolarHBondContact OH-CB 3.46Å; A363-A375 HydrophobicContact CB-CB 3.94Å; L364-A375 HydrophobicContact CD2-CB 4.11Å; L364-A375 HydrophobicContact CG-CB 4.44Å; E371-A375 VanDerWaalsContact O-CB 3.27Å; E371-A375 WeakPolarHBondContact O-CB 3.39Å; E371-A375 PolarHBondContact O-N 3.44Å; A375-L379 WeakPolarHBondContact O-CB 3.29Å; A375-L379 PolarHBondContact O-N 3.21Å |
| 376 | T | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.1 | -41.6 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | V372 I373 A374 L379 E380 V434 L438 | V372-T376 WeakPolarHBondContact O-CB 3.26Å; V372-T376 PolarHBondContact O-N 2.83Å; V372-T376 PolarHBondContact O-OG1 3.49Å; I373-T376 PolarHBondContact O-N 2.97Å; A374-T376 VanDerWaalsContact C-N 3.3Å; A374-T376 PolarHBondContact O-N 2.89Å; T376-L379 PolarHBondContact O-N 3.01Å; T376-E380 PolarHBondContact O-N 3.17Å; T376-E380 VanDerWaalsContact O-N 3.12Å; T376-V434 HydrophobicContact CG2-CB 4.2Å; T376-V434 HydrophobicContact CG2-CG2 3.81Å; T376-L438 HydrophobicContact CG2-CB 4.36Å; T376-L438 HydrophobicContact CG2-CD2 3.85Å |
| 377 | A | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.4 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L258 L311 I373 A374 E380 L381 V434 | L258-A377 HydrophobicContact CD1-CB 3.71Å; L311-A377 HydrophobicContact CD1-CB 4.45Å; I373-A377 PolarHBondContact O-N 3.28Å; A374-A377 PolarHBondContact O-N 3.42Å; A377-E380 PolarHBondContact O-N 3.43Å; A377-L381 WeakPolarHBondContact O-CB 3.46Å; A377-L381 PolarHBondContact O-N 3.46Å; A377-V434 HydrophobicContact CB-CB 4.42Å; A377-V434 HydrophobicContact CB-CG1 3.99Å |
| 378 | Y | 96.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.9 | -43.3 | 173.6 | -70.7 | -38.9 | 0 | 0 | 0 | 111.8 | Y251 L254 P255 L311 L322 A374 E380 L381 F382 | Y251-Y378 HydrophobicContact CE2-CD2 4.48Å; L254-Y378 HydrophobicContact CB-CE2 3.96Å; L254-Y378 HydrophobicContact CD1-CD2 4.08Å; L254-Y378 HydrophobicContact CD1-CE2 4.13Å; L254-Y378 HydrophobicContact CD1-CG 4.33Å; P255-Y378 WeakPolarHBondContact O-CE2 3.39Å; P255-Y378 PolarHBondContact O-OH 2.75Å; L311-Y378 HydrophobicContact CD1-CD1 3.54Å; L311-Y378 HydrophobicContact CD1-CE1 3.5Å; L322-Y378 HydrophobicContact CD1-CD1 4.06Å; L322-Y378 HydrophobicContact CD1-CE1 3.81Å; L322-Y378 HydrophobicContact CD2-CE1 4.11Å; A374-Y378 HydrophobicContact CB-CD2 4.36Å; A374-Y378 HydrophobicContact CB-CE2 4.03Å; A374-Y378 WeakPolarHBondContact O-CB 3.34Å; A374-Y378 WeakPolarHBondContact O-CD2 3.36Å; A374-Y378 VanDerWaalsContact O-CG 3.29Å; A374-Y378 PolarHBondContact O-N 2.88Å; Y378-E380 VanDerWaalsContact C-N 3.3Å; Y378-E380 PolarHBondContact O-N 2.91Å; Y378-L381 PolarHBondContact O-N 3.05Å; Y378-F382 HydrophobicContact CG-CZ 4.31Å; Y378-F382 WeakPolarHBondContact O-CB 3.38Å; Y378-F382 WeakPolarHBondContact O-CD1 3.48Å; Y378-F382 WeakPolarHBondContact O-CD2 3.47Å; Y378-F382 WeakPolarHBondContact O-CG 3.43Å; Y378-F382 PolarHBondContact O-N 3.45Å |
| 379 | L | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 173.5 | 175.3 | 60.7 | 0 | 0 | 0 | 112.5 | L360 L364 A375 T376 L383 F395 I399 I413 L438 | L360-L379 HydrophobicContact CD2-CD1 4.04Å; L364-L379 HydrophobicContact CD1-CD2 4.06Å; L364-L379 HydrophobicContact CD2-CD2 4.47Å; A375-L379 WeakPolarHBondContact O-CB 3.29Å; A375-L379 PolarHBondContact O-N 3.21Å; T376-L379 PolarHBondContact O-N 3.01Å; L379-L383 HydrophobicContact CD1-CD1 4.39Å; L379-L383 HydrophobicContact CD1-CG 4.43Å; L379-L383 WeakPolarHBondContact O-CG 3.41Å; L379-L383 PolarHBondContact O-N 2.9Å; L379-L383 VanDerWaalsContact O-N 3.08Å; L379-F395 HydrophobicContact CD1-CD1 3.7Å; L379-F395 HydrophobicContact CD1-CE1 4.12Å; L379-I399 HydrophobicContact CD1-CD1 4.25Å; L379-I399 HydrophobicContact CD2-CD1 4.11Å; L379-I399 HydrophobicContact CD2-CG1 4.13Å; L379-I413 HydrophobicContact CD2-CD1 4.35Å; L379-L438 HydrophobicContact CD2-CD1 4.11Å; L379-L438 HydrophobicContact CD2-CD2 3.76Å; L379-L438 HydrophobicContact CG-CD1 3.85Å; L379-L438 HydrophobicContact CG-CD2 4.31Å |
| 380 | E | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.7 | -52.7 | 173.2 | -171.1 | -72.1 | 130.6 | 0 | 0 | 111.3 | T376 A377 Y378 F382 L383 R384 L438 T441 | T376-E380 PolarHBondContact O-N 3.17Å; T376-E380 VanDerWaalsContact O-N 3.12Å; A377-E380 PolarHBondContact O-N 3.43Å; Y378-E380 VanDerWaalsContact C-N 3.3Å; Y378-E380 PolarHBondContact O-N 2.91Å; E380-F382 VanDerWaalsContact C-N 3.31Å; E380-F382 PolarHBondContact O-N 2.89Å; E380-L383 PolarHBondContact O-N 3.29Å; E380-R384 WeakPolarHBondContact O-CB 3.19Å; E380-R384 PolarHBondContact O-N 3Å; E380-R384 WeakPolarHBondContact OE1-CD 3.4Å; E380-R384 IonicContact OE1-CZ 2.61Å; E380-R384 IonicContact OE1-NE 2.69Å; E380-R384 PolarHBondContact OE1-NE 3.44Å; E380-R384 IonicContact OE1-NH2 3.29Å; E380-R384 IonicContact OE2-CZ 3.51Å; E380-R384 IonicContact OE2-NE 3.9Å; E380-R384 PolarHBondContact OE2-NE 3.17Å; E380-R384 VanDerWaalsContact OE2-NE 3.16Å; E380-R384 IonicContact OE2-NH2 3.96Å; E380-R384 PolarHBondContact OE2-NH2 3.32Å; E380-L438 HydrophobicContact CB-CB 4.35Å; E380-L438 HydrophobicContact CB-CD1 4.24Å; E380-T441 PolarHBondContact OE1-OG1 3.39Å |
| 381 | L | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.8 | -39.7 | 178.1 | 175.7 | 66.1 | 0 | 0 | 0 | 112.6 | L311 L322 L326 A377 Y378 R384 R385 | L311-L381 HydrophobicContact CB-CB 4.45Å; L311-L381 HydrophobicContact CB-CD1 4.19Å; L311-L381 HydrophobicContact CB-CD2 3.88Å; L311-L381 HydrophobicContact CB-CG 4.41Å; L311-L381 HydrophobicContact CD1-CD2 3.81Å; L322-L381 HydrophobicContact CD1-CD2 3.99Å; L322-L381 HydrophobicContact CD2-CD2 4.23Å; L322-L381 HydrophobicContact CG-CD2 4.49Å; L326-L381 HydrophobicContact CD1-CD2 4.19Å; L326-L381 HydrophobicContact CD2-CD2 4.12Å; L326-L381 HydrophobicContact CD2-CG 4.24Å; A377-L381 WeakPolarHBondContact O-CB 3.46Å; A377-L381 PolarHBondContact O-N 3.46Å; Y378-L381 PolarHBondContact O-N 3.05Å; L381-R384 PolarHBondContact O-N 3.38Å; L381-R385 HydrophobicContact CD1-CG 4.39Å; L381-R385 PolarHBondContact O-N 2.89Å; L381-R385 VanDerWaalsContact O-N 3.15Å |
| 382 | F | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.1 | -52.5 | 179.2 | -59.8 | -12.7 | 0 | 0 | 0 | 109.9 | Y251 L254 F325 L326 L329 F355 L360 Y378 E380 R384 R385 L386 F395 | Y251-F382 AromaticContact CD2-CE2 3.94Å; Y251-F382 HydrophobicContact CD2-CE2 3.94Å; Y251-F382 AromaticContact CD2-CZ 3.9Å; Y251-F382 HydrophobicContact CD2-CZ 3.9Å; Y251-F382 AromaticContact CE2-CE2 3.8Å; Y251-F382 HydrophobicContact CE2-CE2 3.8Å; Y251-F382 AromaticContact CE2-CZ 3.9Å; Y251-F382 HydrophobicContact CE2-CZ 3.9Å; L254-F382 HydrophobicContact CD1-CZ 4.19Å; F325-F382 HydrophobicContact CD1-CD1 4.25Å; F325-F382 AromaticContact CD1-CE1 3.51Å; F325-F382 HydrophobicContact CD1-CE1 3.51Å; F325-F382 AromaticContact CD1-CZ 3.71Å; F325-F382 HydrophobicContact CD1-CZ 3.71Å; F325-F382 AromaticContact CE1-CD1 3.66Å; F325-F382 HydrophobicContact CE1-CD1 3.66Å; F325-F382 HydrophobicContact CE1-CD2 4.13Å; F325-F382 AromaticContact CE1-CE1 3.16Å; F325-F382 HydrophobicContact CE1-CE1 3.16Å; F325-F382 AromaticContact CE1-CE2 3.67Å; F325-F382 HydrophobicContact CE1-CE2 3.67Å; F325-F382 HydrophobicContact CE1-CG 4.13Å; F325-F382 AromaticContact CE1-CZ 3.15Å; F325-F382 HydrophobicContact CE1-CZ 3.15Å; F325-F382 HydrophobicContact CZ-CD2 4.35Å; F325-F382 HydrophobicContact CZ-CE1 4.1Å; F325-F382 AromaticContact CZ-CE2 3.77Å; F325-F382 HydrophobicContact CZ-CE2 3.77Å; F325-F382 AromaticContact CZ-CZ 3.63Å; F325-F382 HydrophobicContact CZ-CZ 3.63Å; L326-F382 HydrophobicContact CD2-CD1 4.09Å; L326-F382 HydrophobicContact CD2-CE1 4.26Å; L329-F382 HydrophobicContact CD2-CB 3.98Å; L329-F382 HydrophobicContact CD2-CD1 4.12Å; L329-F382 HydrophobicContact CD2-CG 4.1Å; F355-F382 HydrophobicContact CZ-CE2 4.17Å; L360-F382 HydrophobicContact CD2-CD2 4.46Å; Y378-F382 HydrophobicContact CG-CZ 4.31Å; Y378-F382 WeakPolarHBondContact O-CB 3.38Å; Y378-F382 WeakPolarHBondContact O-CD1 3.48Å; Y378-F382 WeakPolarHBondContact O-CD2 3.47Å; Y378-F382 WeakPolarHBondContact O-CG 3.43Å; Y378-F382 PolarHBondContact O-N 3.45Å; E380-F382 VanDerWaalsContact C-N 3.31Å; E380-F382 PolarHBondContact O-N 2.89Å; F382-R384 VanDerWaalsContact C-N 3.31Å; F382-R384 PolarHBondContact O-N 3.14Å; F382-R385 PolarHBondContact O-N 3.44Å; F382-R385 VanDerWaalsContact O-N 3.1Å; F382-L386 WeakPolarHBondContact O-CG 3.36Å; F382-L386 PolarHBondContact O-N 3.44Å; F382-F395 HydrophobicContact CB-CE1 4.12Å; F382-F395 HydrophobicContact CB-CZ 4.25Å; F382-F395 HydrophobicContact CD2-CE1 4.12Å; F382-F395 HydrophobicContact CD2-CZ 4.42Å |
| 383 | L | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -53.3 | -48.6 | 174.4 | -79.4 | 172.3 | 0 | 0 | 0 | 111.5 | L379 E380 R385 L386 F395 L396 I399 L438 T441 I442 F445 | L379-L383 HydrophobicContact CD1-CD1 4.39Å; L379-L383 HydrophobicContact CD1-CG 4.43Å; L379-L383 WeakPolarHBondContact O-CG 3.41Å; L379-L383 PolarHBondContact O-N 2.9Å; L379-L383 VanDerWaalsContact O-N 3.08Å; E380-L383 PolarHBondContact O-N 3.29Å; L383-R385 PolarHBondContact O-N 3.36Å; L383-R385 VanDerWaalsContact O-N 3.17Å; L383-L386 PolarHBondContact O-N 3.24Å; L383-F395 HydrophobicContact CD2-CB 3.64Å; L383-F395 HydrophobicContact CD2-CG 4.34Å; L383-L396 HydrophobicContact CD2-CD2 4.4Å; L383-I399 HydrophobicContact CD1-CD1 3.97Å; L383-L438 HydrophobicContact CD1-CD1 3.76Å; L383-T441 HydrophobicContact CB-CG2 3.99Å; L383-I442 HydrophobicContact CD1-CG1 3.8Å; L383-F445 HydrophobicContact CB-CE2 4.03Å; L383-F445 HydrophobicContact CB-CZ 4.08Å; L383-F445 HydrophobicContact CD1-CE2 4.47Å; L383-F445 HydrophobicContact CD2-CE2 3.91Å; L383-F445 HydrophobicContact CD2-CZ 4.22Å; L383-F445 HydrophobicContact CG-CE2 4.37Å |
| 384 | R | 92.6 | Very high | 94.2 | Very high | 94 Ų | 94 | 21.3 Ų | 21.3 | 36% | 0.355 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -63.4 | -17.4 | -179.5 | 178.3 | 162.4 | 47.8 | 91.5 | -0 | 114.5 | L311 E380 L381 F382 T441 | L311-R384 PolarHBondContact O-NH1 3.21Å; L311-R384 PolarHBondContact O-NH2 2.87Å; E380-R384 WeakPolarHBondContact O-CB 3.19Å; E380-R384 PolarHBondContact O-N 3Å; E380-R384 WeakPolarHBondContact OE1-CD 3.4Å; E380-R384 IonicContact OE1-CZ 2.61Å; E380-R384 IonicContact OE1-NE 2.69Å; E380-R384 PolarHBondContact OE1-NE 3.44Å; E380-R384 IonicContact OE1-NH2 3.29Å; E380-R384 IonicContact OE2-CZ 3.51Å; E380-R384 IonicContact OE2-NE 3.9Å; E380-R384 PolarHBondContact OE2-NE 3.17Å; E380-R384 VanDerWaalsContact OE2-NE 3.16Å; E380-R384 IonicContact OE2-NH2 3.96Å; E380-R384 PolarHBondContact OE2-NH2 3.32Å; L381-R384 PolarHBondContact O-N 3.38Å; F382-R384 VanDerWaalsContact C-N 3.31Å; F382-R384 PolarHBondContact O-N 3.14Å; R384-T441 HydrophobicContact CB-CG2 4.16Å |
| 385 | R | 93.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 21.2 Ų | 21.2 | 31% | 0.313 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -103.8 | -5.4 | 175 | -69.8 | -158 | -167.4 | -113.4 | 9.5 | 115.2 | E313 C316 L381 F382 L383 | E313-R385 IonicContact OE1-CZ 2.62Å; E313-R385 IonicContact OE1-NH1 3.99Å; E313-R385 IonicContact OE1-NH2 3.95Å; E313-R385 PolarHBondContact OE1-NH2 3.25Å; E313-R385 IonicContact OE2-CZ 2.78Å; E313-R385 IonicContact OE2-NH1 3.8Å; E313-R385 PolarHBondContact OE2-NH1 3.32Å; E313-R385 IonicContact OE2-NH2 2.77Å; E313-R385 PolarHBondContact OE2-NH2 2.92Å; C316-R385 PolarHBondContact SG-NH2 2.67Å; L381-R385 HydrophobicContact CD1-CG 4.39Å; L381-R385 PolarHBondContact O-N 2.89Å; L381-R385 VanDerWaalsContact O-N 3.15Å; F382-R385 PolarHBondContact O-N 3.44Å; F382-R385 VanDerWaalsContact O-N 3.1Å; L383-R385 PolarHBondContact O-N 3.36Å; L383-R385 VanDerWaalsContact O-N 3.17Å |
| 386 | L | 94.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 7% | 0.068 | 10% | 0.103 | C | C | . | . | trans | -79.9 | 138.3 | 177.3 | -71.6 | 171 | 0 | 0 | 0 | 111.4 | L329 N333 F382 L383 M391 I392 F395 | L329-L386 HydrophobicContact CD1-CD2 4.28Å; L329-L386 HydrophobicContact CG-CD2 4.36Å; N333-L386 HydrophobicContact CB-CD2 4.06Å; F382-L386 WeakPolarHBondContact O-CG 3.36Å; F382-L386 PolarHBondContact O-N 3.44Å; L383-L386 PolarHBondContact O-N 3.24Å; L386-M391 HydrophobicContact CD1-CG 4.14Å; L386-M391 HydrophobicContact CD2-CB 4.2Å; L386-M391 HydrophobicContact CD2-CG 3.56Å; L386-M391 HydrophobicContact CG-CG 4.45Å; L386-I392 HydrophobicContact CB-CG1 3.68Å; L386-F395 HydrophobicContact CD1-CD2 3.34Å; L386-F395 HydrophobicContact CD1-CE2 3.55Å; L386-F395 HydrophobicContact CD1-CG 4.03Å; L386-F395 HydrophobicContact CD1-CZ 4.38Å | ||
| 387 | T | 90.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 24.5 Ų | 24.5 | 42% | 0.417 | 12% | 0.115 | S | C | . | . | trans | -115.7 | -28.3 | 178.8 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | N333 | N333-T387 PolarHBondContact ND2-OG1 3.12Å; N333-T387 PolarHBondContact OD1-N 2.81Å; N333-T387 VanDerWaalsContact OD1-N 3.09Å | ||
| 388 | E | 92.5 | Very high | 94.2 | Very high | 19 Ų | 19 | 24.5 Ų | 24.5 | 9% | 0.089 | 12% | 0.115 | C | C | . | . | trans | -85 | 126.5 | -173.2 | -60.1 | -41.4 | 118.1 | 0 | 0 | 112.3 | N333 I336 K337 S390 M391 I392 | N333-E388 WeakPolarHBondContact O-CG 3.4Å; N333-E388 PolarHBondContact OD1-N 2.8Å; N333-E388 VanDerWaalsContact OD1-N 3.08Å; I336-E388 HydrophobicContact CG2-CB 4.13Å; K337-E388 HydrophobicContact CB-CG 3.92Å; K337-E388 HydrophobicContact CG-CG 4.49Å; K337-E388 VanDerWaalsContact CG-OE2 3.3Å; K337-E388 WeakPolarHBondContact CG-OE2 3.5Å; K337-E388 IonicContact NZ-OE1 3.67Å; K337-E388 PolarHBondContact NZ-OE1 3.03Å; K337-E388 IonicContact NZ-OE2 3.74Å; K337-E388 PolarHBondContact NZ-OE2 2.77Å; E388-S390 VanDerWaalsContact C-N 3.28Å; E388-S390 PolarHBondContact O-N 3.31Å; E388-M391 HydrophobicContact CB-CB 4.42Å; E388-M391 PolarHBondContact O-N 3.09Å; E388-I392 WeakPolarHBondContact O-CG1 3.3Å; E388-I392 PolarHBondContact O-N 3.4Å | ||
| 389 | P | 90.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 24.4 Ų | 24.4 | 20% | 0.195 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -51.6 | -44.2 | -176.8 | -29.1 | 34.4 | 0 | 0 | 0 | 113.7 | M391 I392 K393 E532 L535 | P389-M391 VanDerWaalsContact C-N 3.27Å; P389-M391 PolarHBondContact O-N 2.6Å; P389-I392 PolarHBondContact O-N 3.36Å; P389-K393 WeakPolarHBondContact O-CB 3.47Å; P389-K393 PolarHBondContact O-N 2.79Å; P389-E532 HydrophobicContact CB-CG 3.78Å; P389-L535 HydrophobicContact CB-CD1 3.82Å; P389-L535 HydrophobicContact CG-CB 3.84Å; P389-L535 HydrophobicContact CG-CD1 3.75Å; P389-L535 HydrophobicContact CG-CG 4.45Å |
| 390 | S | 93.2 | Very high | 93.9 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 14% | 0.14 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.2 | -26.4 | -178.3 | -46.5 | 0 | 0 | 0 | 0 | 113.3 | E388 L394 E532 | E388-S390 VanDerWaalsContact C-N 3.28Å; E388-S390 PolarHBondContact O-N 3.31Å; S390-L394 PolarHBondContact O-N 3.45Å; S390-E532 PolarHBondContact OG-OE1 3.33Å |
| 391 | M | 95.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -83.5 | -42.9 | 176.1 | -162.4 | 65.7 | -138 | 0 | 0 | 111.7 | I336 L348 I351 L386 E388 P389 K393 L394 F395 | I336-M391 HydrophobicContact CD1-CB 4.32Å; I336-M391 HydrophobicContact CD1-CG 4.21Å; I336-M391 HydrophobicContact CD1-SD 3.27Å; I336-M391 WeakPolarHBondContact CD1-SD 3.35Å; L348-M391 HydrophobicContact CD2-SD 3.65Å; I351-M391 HydrophobicContact CB-CE 4.26Å; I351-M391 HydrophobicContact CD1-CE 4.11Å; I351-M391 HydrophobicContact CD1-SD 4.14Å; I351-M391 HydrophobicContact CG2-CE 3.56Å; L386-M391 HydrophobicContact CD1-CG 4.14Å; L386-M391 HydrophobicContact CD2-CB 4.2Å; L386-M391 HydrophobicContact CD2-CG 3.56Å; L386-M391 HydrophobicContact CG-CG 4.45Å; E388-M391 HydrophobicContact CB-CB 4.42Å; E388-M391 PolarHBondContact O-N 3.09Å; P389-M391 VanDerWaalsContact C-N 3.27Å; P389-M391 PolarHBondContact O-N 2.6Å; M391-K393 VanDerWaalsContact C-N 3.32Å; M391-K393 PolarHBondContact O-N 3.11Å; M391-L394 HydrophobicContact CE-CB 4.24Å; M391-L394 HydrophobicContact CE-CD2 3.61Å; M391-L394 WeakPolarHBondContact O-CB 3.38Å; M391-L394 PolarHBondContact O-N 3.42Å; M391-L394 HydrophobicContact SD-CD2 4.42Å; M391-F395 HydrophobicContact CE-CD2 3.75Å; M391-F395 HydrophobicContact CE-CE2 3.47Å; M391-F395 VanDerWaalsContact CE-CE2 3.47Å; M391-F395 PolarHBondContact O-N 2.85Å |
| 392 | I | 95.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.3 | -49.4 | 172.7 | -64.1 | 164.6 | 0 | 0 | 0 | 109.6 | L386 E388 P389 L394 F395 L396 F445 L535 | L386-I392 HydrophobicContact CB-CG1 3.68Å; E388-I392 WeakPolarHBondContact O-CG1 3.3Å; E388-I392 PolarHBondContact O-N 3.4Å; P389-I392 PolarHBondContact O-N 3.36Å; I392-L394 VanDerWaalsContact C-N 3.26Å; I392-L394 PolarHBondContact O-N 3.22Å; I392-F395 PolarHBondContact O-N 2.78Å; I392-L396 HydrophobicContact CG2-CD1 3.95Å; I392-L396 HydrophobicContact CG2-CG 4.3Å; I392-L396 WeakPolarHBondContact O-CG 3.15Å; I392-L396 PolarHBondContact O-N 3.47Å; I392-F445 HydrophobicContact CD1-CD1 4.35Å; I392-F445 HydrophobicContact CD1-CE1 4Å; I392-F445 HydrophobicContact CG1-CE1 4.21Å; I392-F445 HydrophobicContact CG2-CD1 3.64Å; I392-F445 HydrophobicContact CG2-CD2 4.37Å; I392-F445 HydrophobicContact CG2-CE1 3.71Å; I392-F445 HydrophobicContact CG2-CE2 4.43Å; I392-F445 HydrophobicContact CG2-CG 4Å; I392-F445 HydrophobicContact CG2-CZ 4.12Å; I392-L535 HydrophobicContact CD1-CD1 4.01Å |
| 393 | K | 91.7 | Very high | 93 | Very high | 81 Ų | 81 | 32.6 Ų | 32.6 | 35% | 0.352 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -50.1 | -42 | 171.4 | 165.8 | -168.9 | 166 | 178.8 | 0 | 112.9 | P389 M391 L396 K397 V528 | P389-K393 WeakPolarHBondContact O-CB 3.47Å; P389-K393 PolarHBondContact O-N 2.79Å; M391-K393 VanDerWaalsContact C-N 3.32Å; M391-K393 PolarHBondContact O-N 3.11Å; K393-L396 PolarHBondContact O-N 3.25Å; K393-K397 WeakPolarHBondContact O-CB 3.43Å; K393-K397 PolarHBondContact O-N 3.03Å; K393-V528 HydrophobicContact CD-CB 4.46Å; K393-V528 HydrophobicContact CD-CG1 3.98Å; K393-V528 HydrophobicContact CD-CG2 3.72Å; K393-V528 HydrophobicContact CG-CG2 4.37Å; K393-V528 VanDerWaalsContact NZ-CG1 3.26Å |
| 394 | L | 95.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 34.1 Ų | 34.1 | 12% | 0.12 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | -178 | -160.3 | 79.8 | 0 | 0 | 0 | 111.5 | L348 I351 H352 L356 S390 M391 I392 F398 | L348-L394 HydrophobicContact CB-CD1 4.36Å; L348-L394 HydrophobicContact CB-CD2 4.5Å; L348-L394 HydrophobicContact CD2-CB 4.18Å; L348-L394 HydrophobicContact CD2-CD1 4.37Å; L348-L394 HydrophobicContact CD2-CD2 3.96Å; L348-L394 HydrophobicContact CD2-CG 4.41Å; L348-L394 WeakPolarHBondContact O-CD2 3.41Å; I351-L394 HydrophobicContact CB-CD2 4.21Å; I351-L394 HydrophobicContact CG2-CD2 4.23Å; H352-L394 HydrophobicContact CB-CD1 4.16Å; H352-L394 HydrophobicContact CB-CD2 4.1Å; H352-L394 HydrophobicContact CB-CG 4.31Å; L356-L394 HydrophobicContact CD1-CD2 3.8Å; L356-L394 HydrophobicContact CD1-CG 3.97Å; S390-L394 PolarHBondContact O-N 3.45Å; M391-L394 HydrophobicContact CE-CB 4.24Å; M391-L394 HydrophobicContact CE-CD2 3.61Å; M391-L394 WeakPolarHBondContact O-CB 3.38Å; M391-L394 PolarHBondContact O-N 3.42Å; M391-L394 HydrophobicContact SD-CD2 4.42Å; I392-L394 VanDerWaalsContact C-N 3.26Å; I392-L394 PolarHBondContact O-N 3.22Å; L394-F398 WeakPolarHBondContact O-CB 3.34Å; L394-F398 PolarHBondContact O-N 2.9Å |
| 395 | F | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 174.4 | -85.2 | -95.9 | 0 | 0 | 0 | 112.3 | L329 F355 L356 L360 L379 F382 L383 L386 M391 I392 F398 I399 | L329-F395 HydrophobicContact CD1-CE2 4.45Å; L329-F395 HydrophobicContact CD1-CZ 4.43Å; F355-F395 HydrophobicContact CE1-CZ 4.28Å; L356-F395 HydrophobicContact CD2-CD1 3.77Å; L356-F395 HydrophobicContact CD2-CD2 4.46Å; L356-F395 HydrophobicContact CD2-CE1 3.44Å; L356-F395 VanDerWaalsContact CD2-CE1 3.44Å; L356-F395 HydrophobicContact CD2-CE2 4.19Å; L356-F395 HydrophobicContact CD2-CG 4.3Å; L356-F395 HydrophobicContact CD2-CZ 3.69Å; L360-F395 HydrophobicContact CD2-CE1 4.04Å; L379-F395 HydrophobicContact CD1-CD1 3.7Å; L379-F395 HydrophobicContact CD1-CE1 4.12Å; F382-F395 HydrophobicContact CB-CE1 4.12Å; F382-F395 HydrophobicContact CB-CZ 4.25Å; F382-F395 HydrophobicContact CD2-CE1 4.12Å; F382-F395 HydrophobicContact CD2-CZ 4.42Å; L383-F395 HydrophobicContact CD2-CB 3.64Å; L383-F395 HydrophobicContact CD2-CG 4.34Å; L386-F395 HydrophobicContact CD1-CD2 3.34Å; L386-F395 HydrophobicContact CD1-CE2 3.55Å; L386-F395 HydrophobicContact CD1-CG 4.03Å; L386-F395 HydrophobicContact CD1-CZ 4.38Å; M391-F395 HydrophobicContact CE-CD2 3.75Å; M391-F395 HydrophobicContact CE-CE2 3.47Å; M391-F395 VanDerWaalsContact CE-CE2 3.47Å; M391-F395 PolarHBondContact O-N 2.85Å; I392-F395 PolarHBondContact O-N 2.78Å; F395-F398 WeakPolarHBondContact O-CB 3.41Å; F395-F398 PolarHBondContact O-N 3.21Å; F395-I399 WeakPolarHBondContact O-CD1 3.15Å; F395-I399 WeakPolarHBondContact O-CG1 3.48Å; F395-I399 PolarHBondContact O-N 3.09Å |
| 396 | L | 94.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 175.8 | -67.9 | -179.4 | 0 | 0 | 0 | 111.7 | L383 I392 K393 F398 I399 I400 I442 F445 C447 V450 | L383-L396 HydrophobicContact CD2-CD2 4.4Å; I392-L396 HydrophobicContact CG2-CD1 3.95Å; I392-L396 HydrophobicContact CG2-CG 4.3Å; I392-L396 WeakPolarHBondContact O-CG 3.15Å; I392-L396 PolarHBondContact O-N 3.47Å; K393-L396 PolarHBondContact O-N 3.25Å; L396-F398 VanDerWaalsContact C-N 3.33Å; L396-F398 PolarHBondContact O-N 2.86Å; L396-I399 PolarHBondContact O-N 3.25Å; L396-I400 WeakPolarHBondContact O-CB 3.43Å; L396-I400 WeakPolarHBondContact O-CD1 3.19Å; L396-I400 WeakPolarHBondContact O-CG1 3.44Å; L396-I400 PolarHBondContact O-N 2.84Å; L396-I442 HydrophobicContact CD2-CG1 4.33Å; L396-I442 HydrophobicContact CD2-CG2 4.29Å; L396-F445 HydrophobicContact CD1-CB 4.27Å; L396-F445 HydrophobicContact CD1-CD2 4.34Å; L396-F445 HydrophobicContact CD1-CG 4.43Å; L396-F445 HydrophobicContact CD2-CD2 4.28Å; L396-C447 HydrophobicContact CD1-CB 3.92Å; L396-V450 HydrophobicContact CD1-CG2 4.32Å; L396-V450 HydrophobicContact CD2-CG2 4.14Å |
| 397 | K | 93.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.3 | -49.5 | 171.1 | 178.9 | 179.7 | 173.8 | -179.8 | 0 | 110.3 | K393 I399 I400 T401 I524 | K393-K397 WeakPolarHBondContact O-CB 3.43Å; K393-K397 PolarHBondContact O-N 3.03Å; K397-I399 VanDerWaalsContact C-N 3.28Å; K397-I399 PolarHBondContact O-N 3.11Å; K397-I400 PolarHBondContact O-N 2.95Å; K397-I400 VanDerWaalsContact O-N 3.12Å; K397-T401 WeakPolarHBondContact CE-OG1 3.32Å; K397-T401 HydrophobicContact CG-CG2 4.12Å; K397-T401 WeakPolarHBondContact CG-OG1 3.09Å; K397-T401 PolarHBondContact O-N 3.2Å; K397-T401 PolarHBondContact O-OG1 3.36Å; K397-T401 VanDerWaalsContact O-OG1 3.07Å; K397-I524 HydrophobicContact CD-CD1 4.21Å |
| 398 | F | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.1 | -44.4 | 178.6 | 160.4 | -105.4 | 0 | 0 | 0 | 112.5 | L356 V357 L360 L364 L394 F395 L396 E402 I409 | L356-F398 VanDerWaalsContact C-CE2 3.48Å; L356-F398 HydrophobicContact CB-CB 4.36Å; L356-F398 HydrophobicContact CB-CD1 4.44Å; L356-F398 HydrophobicContact CB-CD2 3.75Å; L356-F398 HydrophobicContact CB-CE2 4.12Å; L356-F398 HydrophobicContact CB-CG 3.92Å; L356-F398 HydrophobicContact CD1-CB 3.96Å; L356-F398 HydrophobicContact CD1-CG 4.29Å; L356-F398 HydrophobicContact CD2-CD1 4.43Å; L356-F398 WeakPolarHBondContact O-CE2 3.21Å; L356-F398 WeakPolarHBondContact O-CZ 3.34Å; V357-F398 HydrophobicContact CG2-CD2 4.41Å; L360-F398 HydrophobicContact CB-CZ 4.23Å; L360-F398 HydrophobicContact CD2-CE1 4.04Å; L360-F398 HydrophobicContact CG-CE1 4.14Å; L360-F398 HydrophobicContact CG-CZ 4.2Å; L364-F398 HydrophobicContact CD1-CE1 4.08Å; L364-F398 HydrophobicContact CD1-CZ 4.04Å; L394-F398 WeakPolarHBondContact O-CB 3.34Å; L394-F398 PolarHBondContact O-N 2.9Å; F395-F398 WeakPolarHBondContact O-CB 3.41Å; F395-F398 PolarHBondContact O-N 3.21Å; L396-F398 VanDerWaalsContact C-N 3.33Å; L396-F398 PolarHBondContact O-N 2.86Å; F398-E402 HydrophobicContact CB-CG 4.5Å; F398-E402 HydrophobicContact CD2-CB 4.37Å; F398-E402 HydrophobicContact CD2-CG 4.13Å; F398-E402 WeakPolarHBondContact O-CB 3.18Å; F398-E402 WeakPolarHBondContact O-CG 3.19Å; F398-I409 HydrophobicContact CD2-CD1 3.94Å; F398-I409 HydrophobicContact CE1-CD1 4.47Å; F398-I409 HydrophobicContact CE2-CD1 3.31Å; F398-I409 HydrophobicContact CZ-CD1 3.64Å |
| 399 | I | 94.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 177.4 | -66.9 | 158.8 | 0 | 0 | 0 | 111.6 | L379 L383 F395 L396 K397 L410 I442 | L379-I399 HydrophobicContact CD1-CD1 4.25Å; L379-I399 HydrophobicContact CD2-CD1 4.11Å; L379-I399 HydrophobicContact CD2-CG1 4.13Å; L383-I399 HydrophobicContact CD1-CD1 3.97Å; F395-I399 WeakPolarHBondContact O-CD1 3.15Å; F395-I399 WeakPolarHBondContact O-CG1 3.48Å; F395-I399 PolarHBondContact O-N 3.09Å; L396-I399 PolarHBondContact O-N 3.25Å; K397-I399 VanDerWaalsContact C-N 3.28Å; K397-I399 PolarHBondContact O-N 3.11Å; I399-L410 HydrophobicContact CG2-CD1 4Å; I399-L410 WeakPolarHBondContact O-CB 3.34Å; I399-L410 PolarHBondContact O-N 2.7Å; I399-I442 HydrophobicContact CD1-CD1 3.93Å; I399-I442 HydrophobicContact CD1-CG1 4.35Å; I399-I442 HydrophobicContact CG2-CD1 4.41Å |
| 400 | I | 91.4 | Very high | 91.3 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -78.6 | -50.4 | -170.9 | -62.3 | 163.5 | 0 | 0 | 0 | 112.6 | L396 K397 D449 V450 E453 | L396-I400 WeakPolarHBondContact O-CB 3.43Å; L396-I400 WeakPolarHBondContact O-CD1 3.19Å; L396-I400 WeakPolarHBondContact O-CG1 3.44Å; L396-I400 PolarHBondContact O-N 2.84Å; K397-I400 PolarHBondContact O-N 2.95Å; K397-I400 VanDerWaalsContact O-N 3.12Å; I400-D449 HydrophobicContact CD1-CB 4.2Å; I400-V450 HydrophobicContact CD1-CG2 3.74Å; I400-E453 HydrophobicContact CG2-CB 4.36Å; I400-E453 HydrophobicContact CG2-CG 4.25Å |
| 401 | T | 89.3 | Confident | 91.1 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -96.7 | -27.6 | -165.6 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | K397 V520 | K397-T401 WeakPolarHBondContact CE-OG1 3.32Å; K397-T401 HydrophobicContact CG-CG2 4.12Å; K397-T401 WeakPolarHBondContact CG-OG1 3.09Å; K397-T401 PolarHBondContact O-N 3.2Å; K397-T401 PolarHBondContact O-OG1 3.36Å; K397-T401 VanDerWaalsContact O-OG1 3.07Å; T401-V520 HydrophobicContact CG2-CG1 4.07Å |
| 402 | E | 91 | Very high | 90.8 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | trans | -81.1 | 164.3 | -171.3 | -51.4 | -61.5 | 153 | 0 | 0 | 112.7 | H352 V357 F398 I409 | H352-E402 IonicContact CD2-OE1 2.97Å; H352-E402 IonicContact CE1-OE1 3.85Å; H352-E402 VanDerWaalsContact NE2-CD 3.3Å; H352-E402 IonicContact NE2-OE1 2.82Å; H352-E402 PolarHBondContact NE2-OE1 2.69Å; H352-E402 IonicContact NE2-OE2 2.76Å; V357-E402 HydrophobicContact CG2-CG 4.25Å; F398-E402 HydrophobicContact CB-CG 4.5Å; F398-E402 HydrophobicContact CD2-CB 4.37Å; F398-E402 HydrophobicContact CD2-CG 4.13Å; F398-E402 WeakPolarHBondContact O-CB 3.18Å; F398-E402 WeakPolarHBondContact O-CG 3.19Å; E402-I409 HydrophobicContact CB-CD1 3.97Å; E402-I409 HydrophobicContact CB-CG1 4.48Å; E402-I409 PolarHBondContact O-N 3.45Å | ||
| 403 | S | 88.5 | Confident | 90.7 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 142.1 | 175.3 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | Y407 | S403-Y407 CarbonylContact C-O 3.52Å; S403-Y407 WeakPolarHBondContact CA-O 3.46Å; S403-Y407 WeakPolarHBondContact CB-O 3.21Å |
| 404 | H | 85.7 | Confident | 90.5 | Very high | 33 Ų | 33 | 42.7 Ų | 42.7 | 15% | 0.153 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.2 | 171.4 | -165 | -77.5 | 0 | 0 | 0 | 109 | G361 S362 S406 Y407 | G361-H404 VanDerWaalsContact C-CD2 3.42Å; S362-H404 VanDerWaalsContact CA-NE2 3.28Å; S362-H404 WeakPolarHBondContact CA-NE2 3.5Å; S362-H404 WeakPolarHBondContact CB-NE2 3.46Å; S362-H404 PolarHBondContact N-CD2 2.8Å; H404-S406 PolarHBondContact O-N 3.37Å; H404-S406 VanDerWaalsContact O-N 3.13Å; H404-Y407 PolarHBondContact N-O 3.37Å; H404-Y407 PolarHBondContact O-N 2.92Å |
| 405 | D | 84.5 | Confident | 90.1 | Very high | 116 Ų | 116 | 45.8 Ų | 45.8 | 62% | 0.62 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 38.6 | -176.2 | -57.7 | -42.6 | 0 | 0 | 0 | 114.8 | Y407 | D405-Y407 VanDerWaalsContact C-N 3.28Å; D405-Y407 HydrophobicContact CB-CD2 4.48Å; D405-Y407 VanDerWaalsContact O-CD2 3.32Å; D405-Y407 WeakPolarHBondContact O-CD2 3.33Å; D405-Y407 PolarHBondContact O-N 2.75Å |
| 406 | S | 83.2 | Confident | 89.6 | Confident | 115 Ų | 115 | 47.3 Ų | 47.3 | 80% | 0.804 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 4.4 | -174.2 | -37.2 | 0 | 0 | 0 | 0 | 116.4 | H404 | H404-S406 PolarHBondContact O-N 3.37Å; H404-S406 VanDerWaalsContact O-N 3.13Å |
| 407 | Y | 85.2 | Confident | 89.2 | Confident | 156 Ų | 156 | 46.9 Ų | 46.9 | 61% | 0.612 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.8 | 172.9 | -62.8 | -86.9 | 0 | 0 | 0 | 110.9 | S403 H404 D405 I409 | S403-Y407 CarbonylContact C-O 3.52Å; S403-Y407 WeakPolarHBondContact CA-O 3.46Å; S403-Y407 WeakPolarHBondContact CB-O 3.21Å; H404-Y407 PolarHBondContact N-O 3.37Å; H404-Y407 PolarHBondContact O-N 2.92Å; D405-Y407 VanDerWaalsContact C-N 3.28Å; D405-Y407 HydrophobicContact CB-CD2 4.48Å; D405-Y407 VanDerWaalsContact O-CD2 3.32Å; D405-Y407 WeakPolarHBondContact O-CD2 3.33Å; D405-Y407 PolarHBondContact O-N 2.75Å; Y407-I409 PolarHBondContact O-N 3.29Å |
| 408 | H | 91.2 | Very high | 88.5 | Confident | 102 Ų | 102 | 47.8 Ų | 47.8 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 131.8 | 174.2 | -73.2 | -73.4 | 0 | 0 | 0 | 111.3 | L410 T411 S412 | H408-L410 PolarHBondContact O-N 2.69Å; H408-T411 PolarHBondContact O-N 2.63Å; H408-T411 VanDerWaalsContact O-N 3.16Å; H408-S412 PolarHBondContact O-N 3.12Å; H408-S412 PolarHBondContact O-OG 3Å |
| 409 | I | 92.3 | Very high | 87.4 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | -171.5 | -59.4 | -172.3 | 0 | 0 | 0 | 110.9 | L364 F398 E402 Y407 T411 S412 I413 | L364-I409 HydrophobicContact CD1-CG2 4.29Å; F398-I409 HydrophobicContact CD2-CD1 3.94Å; F398-I409 HydrophobicContact CE1-CD1 4.47Å; F398-I409 HydrophobicContact CE2-CD1 3.31Å; F398-I409 HydrophobicContact CZ-CD1 3.64Å; E402-I409 HydrophobicContact CB-CD1 3.97Å; E402-I409 HydrophobicContact CB-CG1 4.48Å; E402-I409 PolarHBondContact O-N 3.45Å; Y407-I409 PolarHBondContact O-N 3.29Å; I409-T411 PolarHBondContact O-N 3.02Å; I409-S412 PolarHBondContact O-N 2.93Å; I409-I413 HydrophobicContact CG2-CD1 3.7Å; I409-I413 HydrophobicContact CG2-CG1 4.33Å; I409-I413 WeakPolarHBondContact O-CG1 3.33Å; I409-I413 PolarHBondContact O-N 3.07Å |
| 410 | L | 91.4 | Very high | 86.1 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.7 | -47.7 | 174.9 | -173.7 | 61.7 | 0 | 0 | 0 | 112.7 | I399 H408 I413 M414 F439 E453 L454 | I399-L410 HydrophobicContact CG2-CD1 4Å; I399-L410 WeakPolarHBondContact O-CB 3.34Å; I399-L410 PolarHBondContact O-N 2.7Å; H408-L410 PolarHBondContact O-N 2.69Å; L410-I413 PolarHBondContact O-N 3.26Å; L410-M414 WeakPolarHBondContact O-CB 3.29Å; L410-M414 PolarHBondContact O-N 3.26Å; L410-F439 HydrophobicContact CD1-CE1 4.12Å; L410-F439 HydrophobicContact CD1-CZ 4.37Å; L410-E453 HydrophobicContact CD2-CB 4.29Å; L410-E453 HydrophobicContact CD2-CG 3.53Å; L410-L454 HydrophobicContact CD1-CD2 3.94Å; L410-L454 HydrophobicContact CD2-CD2 4.26Å; L410-L454 HydrophobicContact CG-CD2 4.35Å |
| 411 | T | 87.9 | Confident | 84.7 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 179.7 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | H408 I409 M414 N415 | H408-T411 PolarHBondContact O-N 2.63Å; H408-T411 VanDerWaalsContact O-N 3.16Å; I409-T411 PolarHBondContact O-N 3.02Å; T411-M414 PolarHBondContact O-N 3.42Å; T411-N415 WeakPolarHBondContact O-CB 3.49Å; T411-N415 PolarHBondContact O-N 3.45Å; T411-N415 PolarHBondContact O-ND2 3.33Å |
| 412 | S | 89.1 | Confident | 83.2 | Confident | 18 Ų | 18 | 52 Ų | 52 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 175.1 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | H365 H408 I409 R416 | H365-S412 WeakPolarHBondContact NE2-CB 3.42Å; H365-S412 PolarHBondContact NE2-OG 2.84Å; H408-S412 PolarHBondContact O-N 3.12Å; H408-S412 PolarHBondContact O-OG 3Å; I409-S412 PolarHBondContact O-N 2.93Å; S412-R416 WeakPolarHBondContact O-CD 3.49Å; S412-R416 WeakPolarHBondContact O-CG 3.36Å; S412-R416 PolarHBondContact O-NE 2.85Å |
| 413 | I | 92.2 | Very high | 81.9 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.6 | -46.7 | 177.3 | -66.8 | 172.7 | 0 | 0 | 0 | 110.3 | L364 L379 I409 L410 N415 R416 T435 L438 F439 | L364-I413 HydrophobicContact CD1-CD1 4.5Å; L379-I413 HydrophobicContact CD2-CD1 4.35Å; I409-I413 HydrophobicContact CG2-CD1 3.7Å; I409-I413 HydrophobicContact CG2-CG1 4.33Å; I409-I413 WeakPolarHBondContact O-CG1 3.33Å; I409-I413 PolarHBondContact O-N 3.07Å; L410-I413 PolarHBondContact O-N 3.26Å; I413-N415 VanDerWaalsContact C-N 3.32Å; I413-N415 PolarHBondContact O-N 3.31Å; I413-R416 VanDerWaalsContact O-CB 3.29Å; I413-R416 WeakPolarHBondContact O-CB 3.47Å; I413-R416 PolarHBondContact O-N 2.89Å; I413-T435 HydrophobicContact CG2-CG2 3.9Å; I413-T435 WeakPolarHBondContact O-CG2 3.43Å; I413-L438 HydrophobicContact CD1-CD2 4.22Å; I413-L438 HydrophobicContact CG2-CD2 4Å; I413-F439 HydrophobicContact CG2-CE2 3.78Å; I413-F439 HydrophobicContact CG2-CZ 3.95Å |
| 414 | M | 89.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 177.5 | 177.3 | 167.8 | 51.2 | 0 | 0 | 112.5 | L410 T411 R416 L417 F439 L454 P1134 F1135 I1138 | L410-M414 WeakPolarHBondContact O-CB 3.29Å; L410-M414 PolarHBondContact O-N 3.26Å; T411-M414 PolarHBondContact O-N 3.42Å; M414-R416 PolarHBondContact O-N 2.78Å; M414-L417 VanDerWaalsContact O-CB 3.31Å; M414-L417 WeakPolarHBondContact O-CB 3.4Å; M414-L417 PolarHBondContact O-N 2.76Å; M414-F439 HydrophobicContact CB-CZ 4.18Å; M414-L454 HydrophobicContact SD-CD2 4.47Å; M414-P1134 HydrophobicContact CE-CB 3.99Å; M414-P1134 HydrophobicContact CE-CG 3.5Å; M414-P1134 VanDerWaalsContact CE-CG 3.5Å; M414-P1134 HydrophobicContact SD-CB 3.78Å; M414-P1134 HydrophobicContact SD-CG 3.65Å; M414-F1135 HydrophobicContact SD-CB 3.72Å; M414-F1135 HydrophobicContact SD-CD2 4.43Å; M414-F1135 PolarHBondContact SD-N 3.16Å; M414-F1135 VanDerWaalsContact SD-N 3.44Å; M414-I1138 HydrophobicContact CG-CD1 4.03Å |
| 415 | N | 86.1 | Confident | 79.8 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -26 | 176.8 | -77.5 | -22.9 | 0 | 0 | 0 | 113.2 | T411 I413 L417 N418 | T411-N415 WeakPolarHBondContact O-CB 3.49Å; T411-N415 PolarHBondContact O-N 3.45Å; T411-N415 PolarHBondContact O-ND2 3.33Å; I413-N415 VanDerWaalsContact C-N 3.32Å; I413-N415 PolarHBondContact O-N 3.31Å; N415-L417 VanDerWaalsContact C-N 3.26Å; N415-L417 PolarHBondContact O-N 2.77Å; N415-N418 WeakPolarHBondContact O-CB 3.35Å; N415-N418 PolarHBondContact O-N 3.07Å; N415-N418 PolarHBondContact O-ND2 2.89Å |
| 416 | R | 87.2 | Confident | 79.5 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.1 | -18.7 | 176.9 | -60.1 | 161.3 | -152.5 | -155.9 | -11 | 112.9 | L364 S412 I413 M414 N418 A419 L431 T435 | L364-R416 PolarHBondContact O-NH1 3.09Å; L364-R416 PolarHBondContact O-NH2 2.88Å; S412-R416 WeakPolarHBondContact O-CD 3.49Å; S412-R416 WeakPolarHBondContact O-CG 3.36Å; S412-R416 PolarHBondContact O-NE 2.85Å; I413-R416 VanDerWaalsContact O-CB 3.29Å; I413-R416 WeakPolarHBondContact O-CB 3.47Å; I413-R416 PolarHBondContact O-N 2.89Å; M414-R416 PolarHBondContact O-N 2.78Å; R416-N418 PolarHBondContact O-N 2.8Å; R416-A419 WeakPolarHBondContact O-CB 3.07Å; R416-A419 PolarHBondContact O-N 3.11Å; R416-L431 HydrophobicContact CB-CD2 3.74Å; R416-L431 HydrophobicContact CB-CG 4.08Å; R416-L431 HydrophobicContact CG-CD2 3.8Å; R416-L431 HydrophobicContact CG-CG 4.37Å; R416-T435 HydrophobicContact CB-CG2 4.2Å |
| 417 | L | 84.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.4 | 171.2 | -67.8 | 174 | 0 | 0 | 0 | 112.4 | M414 N415 A419 T435 L436 F439 F1135 I1138 R1142 | M414-L417 VanDerWaalsContact O-CB 3.31Å; M414-L417 WeakPolarHBondContact O-CB 3.4Å; M414-L417 PolarHBondContact O-N 2.76Å; N415-L417 VanDerWaalsContact C-N 3.26Å; N415-L417 PolarHBondContact O-N 2.77Å; L417-A419 PolarHBondContact O-N 3.03Å; L417-T435 HydrophobicContact CD2-CG2 3.59Å; L417-T435 HydrophobicContact CG-CG2 3.77Å; L417-L436 HydrophobicContact CD2-CD2 3.74Å; L417-L436 HydrophobicContact CD2-CG 3.89Å; L417-F439 HydrophobicContact CD1-CD2 3.77Å; L417-F439 HydrophobicContact CD1-CE2 3.68Å; L417-F439 HydrophobicContact CD2-CD2 4.13Å; L417-F439 HydrophobicContact CD2-CE2 4.48Å; L417-F439 HydrophobicContact CG-CD2 4.14Å; L417-F439 HydrophobicContact CG-CE2 4.03Å; L417-F1135 HydrophobicContact CD1-CD2 4.16Å; L417-F1135 HydrophobicContact CD1-CE2 4.05Å; L417-I1138 HydrophobicContact CB-CB 4.42Å; L417-I1138 HydrophobicContact CB-CG2 3.49Å; L417-I1138 VanDerWaalsContact CB-CG2 3.49Å; L417-R1142 VanDerWaalsContact O-CD 3.27Å; L417-R1142 WeakPolarHBondContact O-CD 3.34Å; L417-R1142 PolarHBondContact O-NE 3.39Å |
| 418 | N | 79.7 | Confident | 79.4 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -6.8 | 171.8 | -66.8 | -62.2 | 0 | 0 | 0 | 113.8 | N415 R416 N420 I1138 | N415-N418 WeakPolarHBondContact O-CB 3.35Å; N415-N418 PolarHBondContact O-N 3.07Å; N415-N418 PolarHBondContact O-ND2 2.89Å; R416-N418 PolarHBondContact O-N 2.8Å; N418-N420 VanDerWaalsContact C-N 3.29Å; N418-N420 PolarHBondContact O-N 3.36Å; N418-I1138 WeakPolarHBondContact ND2-CD1 3.41Å |
| 419 | A | 71.8 | Confident | 79 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | trans | -71.9 | 82 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | R416 L417 R428 L431 | R416-A419 WeakPolarHBondContact O-CB 3.07Å; R416-A419 PolarHBondContact O-N 3.11Å; L417-A419 PolarHBondContact O-N 3.03Å; A419-R428 HydrophobicContact CB-CB 4.06Å; A419-R428 WeakPolarHBondContact CB-O 3.49Å; A419-R428 VanDerWaalsContact O-O 3.07Å; A419-L431 HydrophobicContact CB-CD2 4.13Å | ||
| 420 | N | 66.9 | Low | 78.7 | Confident | 60 Ų | 60 | 46.2 Ų | 46.2 | 32% | 0.321 | 24% | 0.242 | S | C | . | . | trans | -96.4 | 133.5 | 176.8 | -71 | -42.6 | 0 | 0 | 0 | 111.3 | N418 R1142 | N418-N420 VanDerWaalsContact C-N 3.29Å; N418-N420 PolarHBondContact O-N 3.36Å; N420-R1142 PolarHBondContact OD1-NE 2.83Å; N420-R1142 PolarHBondContact OD1-NH2 3.14Å; N420-R1142 VanDerWaalsContact OD1-NH2 3.08Å | ||
| 421 | A | 62.2 | Low | 78.6 | Confident | 23 Ų | 23 | 46 Ų | 46 | 19% | 0.19 | 24% | 0.241 | C | C | . | . | trans | -152 | 143.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | D426 R428 | A421-D426 HydrophobicContact CB-CB 3.58Å; A421-D426 VanDerWaalsContact CB-CG 3.48Å; A421-D426 VanDerWaalsContact CB-OD2 3.32Å; A421-D426 WeakPolarHBondContact CB-OD2 3.35Å; A421-R428 HydrophobicContact CB-CB 4.25Å | ||
| 422 | M | 58.5 | Low | 78.6 | Confident | 67 Ų | 67 | 43.1 Ų | 43.1 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -81.7 | -20.8 | -174.6 | -161.2 | -163.9 | 83.5 | 0 | 0 | 113.3 | K1440 | M422-K1440 HydrophobicContact CE-CG 3.85Å; M422-K1440 HydrophobicContact SD-CD 4.19Å; M422-K1440 VanDerWaalsContact SD-CE 3.51Å; M422-K1440 HydrophobicContact SD-CG 3.63Å |
| 423 | L | 62.5 | Low | 78.4 | Confident | 86 Ų | 86 | 42.2 Ų | 42.2 | 45% | 0.45 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -99.2 | 129.4 | 179.7 | -64.3 | 175.9 | 0 | 0 | 0 | 109.9 | T425 D426 I1439 | L423-T425 PolarHBondContact O-N 3.18Å; L423-T425 VanDerWaalsContact O-N 3.17Å; L423-D426 WeakPolarHBondContact O-CB 3.41Å; L423-D426 PolarHBondContact O-N 2.73Å; L423-I1439 HydrophobicContact CD2-CD1 4.15Å |
| 424 | T | 62.8 | Low | 78.4 | Confident | 37 Ų | 37 | 42.2 Ų | 42.2 | 23% | 0.227 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.4 | 179.6 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | Y262 D426 Y429 Q430 | Y262-T424 PolarHBondContact OH-O 2.9Å; T424-D426 VanDerWaalsContact C-N 3.35Å; T424-Y429 VanDerWaalsContact CA-CD1 3.45Å; T424-Y429 HydrophobicContact CG2-CD1 4.42Å; T424-Y429 HydrophobicContact CG2-CE1 3.89Å; T424-Y429 HydrophobicContact CG2-CE2 4.29Å; T424-Y429 VanDerWaalsContact O-CD1 3.32Å; T424-Y429 WeakPolarHBondContact O-CD1 3.43Å; T424-Q430 PolarHBondContact O-NE2 3.5Å |
| 425 | T | 66.7 | Low | 78.6 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 58% | 0.583 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.7 | 175.4 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | Y262 L423 | Y262-T425 HydrophobicContact CD2-CG2 4.34Å; Y262-T425 HydrophobicContact CE2-CG2 4.42Å; L423-T425 PolarHBondContact O-N 3.18Å; L423-T425 VanDerWaalsContact O-N 3.17Å |
| 426 | D | 79.1 | Confident | 78.8 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -75.7 | 132 | 175 | -169.5 | -36.5 | 0 | 0 | 0 | 110.5 | A421 L423 T424 R428 Y429 Q430 | A421-D426 HydrophobicContact CB-CB 3.58Å; A421-D426 VanDerWaalsContact CB-CG 3.48Å; A421-D426 VanDerWaalsContact CB-OD2 3.32Å; A421-D426 WeakPolarHBondContact CB-OD2 3.35Å; L423-D426 WeakPolarHBondContact O-CB 3.41Å; L423-D426 PolarHBondContact O-N 2.73Å; T424-D426 VanDerWaalsContact C-N 3.35Å; D426-R428 PolarHBondContact O-N 3.27Å; D426-R428 VanDerWaalsContact OD1-CB 3.31Å; D426-R428 WeakPolarHBondContact OD1-CB 3.44Å; D426-R428 PolarHBondContact OD1-N 2.93Å; D426-R428 IonicContact OD1-NE 3.37Å; D426-R428 PolarHBondContact OD1-NE 2.94Å; D426-R428 IonicContact OD2-CZ 3.61Å; D426-R428 IonicContact OD2-NE 3.76Å; D426-R428 PolarHBondContact OD2-NE 2.92Å; D426-R428 VanDerWaalsContact OD2-NE 3.16Å; D426-R428 IonicContact OD2-NH2 2.78Å; D426-R428 PolarHBondContact OD2-NH2 2.88Å; D426-Y429 WeakPolarHBondContact O-CB 3.37Å; D426-Y429 PolarHBondContact O-N 2.95Å; D426-Y429 VanDerWaalsContact O-N 3.09Å; D426-Q430 PolarHBondContact O-N 3.12Å |
| 427 | K | 83.5 | Confident | 78.9 | Confident | 91 Ų | 91 | 35.8 Ų | 35.8 | 40% | 0.396 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.8 | -27.5 | 178.1 | -58.8 | -173.4 | 178 | -162 | 0 | 112.6 | M369 D370 I373 Q430 L431 | M369-K427 HydrophobicContact CB-CD 4.29Å; M369-K427 HydrophobicContact CG-CB 3.76Å; M369-K427 HydrophobicContact CG-CD 4.32Å; D370-K427 WeakPolarHBondContact OD1-CD 3.4Å; D370-K427 WeakPolarHBondContact OD1-CE 3.31Å; D370-K427 IonicContact OD1-NZ 2.92Å; D370-K427 PolarHBondContact OD1-NZ 3.2Å; D370-K427 IonicContact OD2-NZ 3.74Å; D370-K427 PolarHBondContact OD2-NZ 3.49Å; I373-K427 HydrophobicContact CD1-CB 4.19Å; K427-Q430 PolarHBondContact O-N 3.47Å; K427-L431 WeakPolarHBondContact O-CB 3.35Å; K427-L431 PolarHBondContact O-N 3.12Å |
| 428 | R | 83.4 | Confident | 79.4 | Confident | 129 Ų | 129 | 35.8 Ų | 35.8 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 174.4 | -67 | 175.7 | -66.4 | 176.7 | 1.5 | 111.9 | A419 A421 D426 Q430 L431 G432 | A419-R428 HydrophobicContact CB-CB 4.06Å; A419-R428 WeakPolarHBondContact CB-O 3.49Å; A419-R428 VanDerWaalsContact O-O 3.07Å; A421-R428 HydrophobicContact CB-CB 4.25Å; D426-R428 PolarHBondContact O-N 3.27Å; D426-R428 VanDerWaalsContact OD1-CB 3.31Å; D426-R428 WeakPolarHBondContact OD1-CB 3.44Å; D426-R428 PolarHBondContact OD1-N 2.93Å; D426-R428 IonicContact OD1-NE 3.37Å; D426-R428 PolarHBondContact OD1-NE 2.94Å; D426-R428 IonicContact OD2-CZ 3.61Å; D426-R428 IonicContact OD2-NE 3.76Å; D426-R428 PolarHBondContact OD2-NE 2.92Å; D426-R428 VanDerWaalsContact OD2-NE 3.16Å; D426-R428 IonicContact OD2-NH2 2.78Å; D426-R428 PolarHBondContact OD2-NH2 2.88Å; R428-Q430 VanDerWaalsContact C-N 3.31Å; R428-Q430 PolarHBondContact O-N 3.43Å; R428-L431 PolarHBondContact O-N 3.44Å; R428-G432 PolarHBondContact O-N 3.06Å |
| 429 | Y | 82.3 | Confident | 80.1 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 171.5 | 164 | -90.5 | 0 | 0 | 0 | 110.6 | W308 T424 D426 G432 M433 C1150 T1153 | W308-Y429 HydrophobicContact CZ2-CE1 4.4Å; T424-Y429 VanDerWaalsContact CA-CD1 3.45Å; T424-Y429 HydrophobicContact CG2-CD1 4.42Å; T424-Y429 HydrophobicContact CG2-CE1 3.89Å; T424-Y429 HydrophobicContact CG2-CE2 4.29Å; T424-Y429 VanDerWaalsContact O-CD1 3.32Å; T424-Y429 WeakPolarHBondContact O-CD1 3.43Å; D426-Y429 WeakPolarHBondContact O-CB 3.37Å; D426-Y429 PolarHBondContact O-N 2.95Å; D426-Y429 VanDerWaalsContact O-N 3.09Å; Y429-G432 PolarHBondContact O-N 3.45Å; Y429-M433 HydrophobicContact CD1-CG 4.34Å; Y429-M433 HydrophobicContact CD2-CG 4.33Å; Y429-M433 HydrophobicContact CE1-CG 3.78Å; Y429-M433 HydrophobicContact CE2-CG 3.75Å; Y429-M433 HydrophobicContact CE2-SD 4.06Å; Y429-M433 VanDerWaalsContact CZ-CG 3.44Å; Y429-M433 WeakPolarHBondContact O-CG 3.07Å; Y429-M433 PolarHBondContact O-N 3.44Å; Y429-C1150 HydrophobicContact CE2-CB 4.06Å; Y429-C1150 WeakPolarHBondContact CE2-SG 3.2Å; Y429-C1150 PolarHBondContact OH-SG 3.36Å; Y429-T1153 WeakPolarHBondContact CE2-OG1 3.19Å |
| 430 | Q | 86.5 | Confident | 80.9 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | -179.3 | -67.5 | 172.9 | 16.6 | 0 | 0 | 111.6 | W308 I373 T424 D426 K427 R428 G432 M433 V434 | W308-Q430 HydrophobicContact CH2-CB 3.53Å; W308-Q430 HydrophobicContact CH2-CG 3.79Å; W308-Q430 HydrophobicContact CZ2-CB 4.05Å; W308-Q430 HydrophobicContact CZ2-CG 3.91Å; W308-Q430 HydrophobicContact CZ3-CB 4.39Å; I373-Q430 HydrophobicContact CD1-CB 3.89Å; T424-Q430 PolarHBondContact O-NE2 3.5Å; D426-Q430 PolarHBondContact O-N 3.12Å; K427-Q430 PolarHBondContact O-N 3.47Å; R428-Q430 VanDerWaalsContact C-N 3.31Å; R428-Q430 PolarHBondContact O-N 3.43Å; Q430-G432 VanDerWaalsContact C-N 3.35Å; Q430-G432 PolarHBondContact O-N 3.26Å; Q430-M433 PolarHBondContact O-N 2.69Å; Q430-V434 PolarHBondContact O-N 3.26Å; Q430-V434 VanDerWaalsContact O-N 3.09Å |
| 431 | L | 88.7 | Confident | 82 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 172.6 | -170.3 | 76 | 0 | 0 | 0 | 111.9 | M369 V372 I373 R416 A419 K427 R428 M433 V434 T435 | M369-L431 HydrophobicContact SD-CB 4.32Å; M369-L431 HydrophobicContact SD-CD1 4.17Å; M369-L431 HydrophobicContact SD-CD2 3.72Å; M369-L431 HydrophobicContact SD-CG 4.3Å; V372-L431 HydrophobicContact CG1-CD1 3.85Å; I373-L431 HydrophobicContact CD1-CB 4.47Å; I373-L431 HydrophobicContact CG1-CB 4.01Å; I373-L431 HydrophobicContact CG1-CD1 3.84Å; R416-L431 HydrophobicContact CB-CD2 3.74Å; R416-L431 HydrophobicContact CB-CG 4.08Å; R416-L431 HydrophobicContact CG-CD2 3.8Å; R416-L431 HydrophobicContact CG-CG 4.37Å; A419-L431 HydrophobicContact CB-CD2 4.13Å; K427-L431 WeakPolarHBondContact O-CB 3.35Å; K427-L431 PolarHBondContact O-N 3.12Å; R428-L431 PolarHBondContact O-N 3.44Å; L431-M433 PolarHBondContact O-N 3.13Å; L431-V434 WeakPolarHBondContact O-CG2 3.16Å; L431-V434 PolarHBondContact O-N 3.09Å; L431-T435 VanDerWaalsContact O-CB 3.26Å; L431-T435 WeakPolarHBondContact O-CB 3.3Å; L431-T435 PolarHBondContact O-N 3.46Å; L431-T435 PolarHBondContact O-OG1 3.03Å |
| 432 | G | 87.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -25.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R428 Y429 Q430 L436 R1142 | R428-G432 PolarHBondContact O-N 3.06Å; Y429-G432 PolarHBondContact O-N 3.45Å; Q430-G432 VanDerWaalsContact C-N 3.35Å; Q430-G432 PolarHBondContact O-N 3.26Å; G432-L436 VanDerWaalsContact O-CG 3.29Å; G432-L436 WeakPolarHBondContact O-CG 3.43Å; G432-L436 PolarHBondContact O-N 3.39Å; G432-R1142 PolarHBondContact O-NH1 2.61Å |
| 433 | M | 86.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -78.6 | -52.5 | 174.1 | -75.6 | -61.6 | -63 | 0 | 0 | 112.2 | W308 H309 Y429 Q430 L431 T435 L436 S437 F1152 T1153 L1156 | W308-M433 HydrophobicContact CH2-CB 4.4Å; W308-M433 HydrophobicContact CZ2-CB 3.93Å; W308-M433 HydrophobicContact CZ2-CG 4.37Å; H309-M433 HydrophobicContact CB-CB 4.15Å; Y429-M433 HydrophobicContact CD1-CG 4.34Å; Y429-M433 HydrophobicContact CD2-CG 4.33Å; Y429-M433 HydrophobicContact CE1-CG 3.78Å; Y429-M433 HydrophobicContact CE2-CG 3.75Å; Y429-M433 HydrophobicContact CE2-SD 4.06Å; Y429-M433 VanDerWaalsContact CZ-CG 3.44Å; Y429-M433 WeakPolarHBondContact O-CG 3.07Å; Y429-M433 PolarHBondContact O-N 3.44Å; Q430-M433 PolarHBondContact O-N 2.69Å; L431-M433 PolarHBondContact O-N 3.13Å; M433-T435 PolarHBondContact O-N 3.05Å; M433-L436 PolarHBondContact O-N 2.69Å; M433-S437 WeakPolarHBondContact O-CB 3.02Å; M433-S437 PolarHBondContact O-N 3.15Å; M433-F1152 HydrophobicContact CE-CB 3.57Å; M433-F1152 HydrophobicContact SD-CB 4.39Å; M433-T1153 PolarHBondContact SD-OG1 3.06Å; M433-L1156 HydrophobicContact CE-CD1 3.43Å; M433-L1156 VanDerWaalsContact CE-CD1 3.43Å; M433-L1156 HydrophobicContact CE-CG 4.29Å; M433-L1156 HydrophobicContact SD-CD1 4.1Å |
| 434 | V | 90.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64 | -30 | 178.5 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | W308 H309 I373 T376 A377 Q430 L431 S437 L438 | W308-V434 HydrophobicContact CH2-CG1 3.92Å; W308-V434 HydrophobicContact CZ3-CG1 3.89Å; H309-V434 HydrophobicContact CB-CG1 3.9Å; I373-V434 HydrophobicContact CG2-CG1 4.25Å; I373-V434 HydrophobicContact CG2-CG2 4.22Å; T376-V434 HydrophobicContact CG2-CB 4.2Å; T376-V434 HydrophobicContact CG2-CG2 3.81Å; A377-V434 HydrophobicContact CB-CB 4.42Å; A377-V434 HydrophobicContact CB-CG1 3.99Å; Q430-V434 PolarHBondContact O-N 3.26Å; Q430-V434 VanDerWaalsContact O-N 3.09Å; L431-V434 WeakPolarHBondContact O-CG2 3.16Å; L431-V434 PolarHBondContact O-N 3.09Å; V434-S437 WeakPolarHBondContact O-CB 3.17Å; V434-L438 WeakPolarHBondContact O-CB 3.41Å; V434-L438 PolarHBondContact O-N 3.03Å |
| 435 | T | 93.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.3 | -42.3 | 175.1 | -52 | 0 | 0 | 0 | 0 | 112 | I413 R416 L417 L431 M433 S437 L438 F439 | I413-T435 HydrophobicContact CG2-CG2 3.9Å; I413-T435 WeakPolarHBondContact O-CG2 3.43Å; R416-T435 HydrophobicContact CB-CG2 4.2Å; L417-T435 HydrophobicContact CD2-CG2 3.59Å; L417-T435 HydrophobicContact CG-CG2 3.77Å; L431-T435 VanDerWaalsContact O-CB 3.26Å; L431-T435 WeakPolarHBondContact O-CB 3.3Å; L431-T435 PolarHBondContact O-N 3.46Å; L431-T435 PolarHBondContact O-OG1 3.03Å; M433-T435 PolarHBondContact O-N 3.05Å; T435-S437 VanDerWaalsContact C-N 3.32Å; T435-L438 PolarHBondContact O-N 2.85Å; T435-F439 HydrophobicContact CG2-CD2 4Å; T435-F439 HydrophobicContact CG2-CE2 3.86Å; T435-F439 VanDerWaalsContact O-CD2 3.28Å; T435-F439 WeakPolarHBondContact O-CD2 3.45Å; T435-F439 PolarHBondContact O-N 3.36Å |
| 436 | L | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 172.4 | -79.3 | 172.9 | 0 | 0 | 0 | 111.2 | L417 G432 M433 F439 R440 L1139 R1142 T1153 L1156 L1157 I1160 | L417-L436 HydrophobicContact CD2-CD2 3.74Å; L417-L436 HydrophobicContact CD2-CG 3.89Å; G432-L436 VanDerWaalsContact O-CG 3.29Å; G432-L436 WeakPolarHBondContact O-CG 3.43Å; G432-L436 PolarHBondContact O-N 3.39Å; M433-L436 PolarHBondContact O-N 2.69Å; L436-F439 PolarHBondContact O-N 3.47Å; L436-R440 WeakPolarHBondContact O-CB 3.48Å; L436-R440 PolarHBondContact O-N 3.45Å; L436-L1139 HydrophobicContact CD2-CD2 3.94Å; L436-R1142 VanDerWaalsContact CD1-NH1 3.25Å; L436-T1153 HydrophobicContact CD1-CG2 4.09Å; L436-L1156 HydrophobicContact CB-CB 4.15Å; L436-L1156 HydrophobicContact CB-CD1 3.81Å; L436-L1156 HydrophobicContact CD1-CB 4.09Å; L436-L1156 HydrophobicContact CD1-CD1 4.41Å; L436-L1157 HydrophobicContact CD1-CD2 4.34Å; L436-L1157 HydrophobicContact CD1-CG 4.17Å; L436-L1157 HydrophobicContact CD2-CD2 3.78Å; L436-L1157 HydrophobicContact CD2-CG 4.4Å; L436-I1160 HydrophobicContact CB-CD1 4.45Å; L436-I1160 HydrophobicContact CD2-CD1 3.79Å |
| 437 | S | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.1 | -49.7 | 175.6 | -167.4 | 0 | 0 | 0 | 0 | 112.3 | H309 Q310 M433 V434 T435 F439 R440 T441 | H309-S437 PolarHBondContact O-OG 2.75Å; Q310-S437 WeakPolarHBondContact CG-OG 3.47Å; Q310-S437 PolarHBondContact NE2-OG 2.85Å; M433-S437 WeakPolarHBondContact O-CB 3.02Å; M433-S437 PolarHBondContact O-N 3.15Å; V434-S437 WeakPolarHBondContact O-CB 3.17Å; T435-S437 VanDerWaalsContact C-N 3.32Å; S437-F439 PolarHBondContact O-N 2.86Å; S437-R440 WeakPolarHBondContact O-CB 3.17Å; S437-R440 PolarHBondContact O-N 2.96Å; S437-T441 PolarHBondContact O-N 3.29Å; S437-T441 PolarHBondContact O-OG1 3.14Å |
| 438 | L | 94.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 176.1 | 176.5 | 59.6 | 0 | 0 | 0 | 111.9 | T376 L379 E380 L383 I413 V434 T435 T441 I442 | T376-L438 HydrophobicContact CG2-CB 4.36Å; T376-L438 HydrophobicContact CG2-CD2 3.85Å; L379-L438 HydrophobicContact CD2-CD1 4.11Å; L379-L438 HydrophobicContact CD2-CD2 3.76Å; L379-L438 HydrophobicContact CG-CD1 3.85Å; L379-L438 HydrophobicContact CG-CD2 4.31Å; E380-L438 HydrophobicContact CB-CB 4.35Å; E380-L438 HydrophobicContact CB-CD1 4.24Å; L383-L438 HydrophobicContact CD1-CD1 3.76Å; I413-L438 HydrophobicContact CD1-CD2 4.22Å; I413-L438 HydrophobicContact CG2-CD2 4Å; V434-L438 WeakPolarHBondContact O-CB 3.41Å; V434-L438 PolarHBondContact O-N 3.03Å; T435-L438 PolarHBondContact O-N 2.85Å; L438-T441 PolarHBondContact O-N 3.1Å; L438-I442 HydrophobicContact CD1-CD1 3.78Å; L438-I442 HydrophobicContact CD1-CG1 4.09Å; L438-I442 HydrophobicContact CD2-CD1 4.46Å; L438-I442 HydrophobicContact CG-CD1 3.72Å; L438-I442 HydrophobicContact CG-CG1 4.44Å; L438-I442 WeakPolarHBondContact O-CB 3.32Å; L438-I442 VanDerWaalsContact O-CG1 3.24Å; L438-I442 WeakPolarHBondContact O-CG1 3.33Å; L438-I442 PolarHBondContact O-N 2.83Å |
| 439 | F | 93.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.6 | -35.5 | 176.5 | -81.6 | -65.6 | 0 | 0 | 0 | 113.5 | L410 I413 M414 L417 T435 L436 S437 I442 L443 L454 F1135 | L410-F439 HydrophobicContact CD1-CE1 4.12Å; L410-F439 HydrophobicContact CD1-CZ 4.37Å; I413-F439 HydrophobicContact CG2-CE2 3.78Å; I413-F439 HydrophobicContact CG2-CZ 3.95Å; M414-F439 HydrophobicContact CB-CZ 4.18Å; L417-F439 HydrophobicContact CD1-CD2 3.77Å; L417-F439 HydrophobicContact CD1-CE2 3.68Å; L417-F439 HydrophobicContact CD2-CD2 4.13Å; L417-F439 HydrophobicContact CD2-CE2 4.48Å; L417-F439 HydrophobicContact CG-CD2 4.14Å; L417-F439 HydrophobicContact CG-CE2 4.03Å; T435-F439 HydrophobicContact CG2-CD2 4Å; T435-F439 HydrophobicContact CG2-CE2 3.86Å; T435-F439 VanDerWaalsContact O-CD2 3.28Å; T435-F439 WeakPolarHBondContact O-CD2 3.45Å; T435-F439 PolarHBondContact O-N 3.36Å; L436-F439 PolarHBondContact O-N 3.47Å; S437-F439 PolarHBondContact O-N 2.86Å; F439-I442 HydrophobicContact CD1-CD1 4.44Å; F439-I442 PolarHBondContact O-N 3.41Å; F439-L443 WeakPolarHBondContact O-CB 3.35Å; F439-L443 VanDerWaalsContact O-CG 3.25Å; F439-L443 WeakPolarHBondContact O-CG 3.44Å; F439-L443 PolarHBondContact O-N 2.89Å; F439-L454 HydrophobicContact CD1-CD1 4.18Å; F439-L454 HydrophobicContact CE1-CD1 4.1Å; F439-L454 HydrophobicContact CE1-CD2 4.02Å; F439-F1135 HydrophobicContact CB-CE2 4.29Å; F439-F1135 HydrophobicContact CB-CZ 4.42Å; F439-F1135 HydrophobicContact CD1-CD2 4.48Å; F439-F1135 AromaticContact CD1-CE2 3.6Å; F439-F1135 HydrophobicContact CD1-CE2 3.6Å; F439-F1135 HydrophobicContact CD1-CZ 4.09Å; F439-F1135 HydrophobicContact CD2-CE2 4.08Å; F439-F1135 HydrophobicContact CE1-CD2 4.32Å; F439-F1135 AromaticContact CE1-CE2 3.87Å; F439-F1135 HydrophobicContact CE1-CE2 3.87Å; F439-F1135 HydrophobicContact CE2-CE2 4.3Å; F439-F1135 AromaticContact CG-CE2 3.73Å; F439-F1135 HydrophobicContact CG-CE2 3.73Å; F439-F1135 HydrophobicContact CG-CZ 4.27Å; F439-F1135 HydrophobicContact CZ-CD2 4.45Å; F439-F1135 HydrophobicContact CZ-CE2 4.21Å |
| 440 | R | 89.2 | Confident | 87.4 | Confident | 76 Ų | 76 | 19 Ų | 19 | 29% | 0.287 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 171.6 | -176.4 | -170.2 | -171.7 | -153.3 | 7.7 | 110.8 | L436 S437 S444 D1159 I1160 | L436-R440 WeakPolarHBondContact O-CB 3.48Å; L436-R440 PolarHBondContact O-N 3.45Å; S437-R440 WeakPolarHBondContact O-CB 3.17Å; S437-R440 PolarHBondContact O-N 2.96Å; R440-S444 PolarHBondContact O-N 2.98Å; R440-S444 VanDerWaalsContact O-N 3.17Å; R440-D1159 IonicContact CZ-OD2 3.25Å; R440-D1159 IonicContact NE-OD2 2.72Å; R440-D1159 PolarHBondContact NE-OD2 3.43Å; R440-D1159 IonicContact NH2-OD2 3.16Å; R440-D1159 PolarHBondContact NH2-OD2 3.17Å; R440-I1160 HydrophobicContact CB-CD1 4.4Å; R440-I1160 HydrophobicContact CB-CG1 4.23Å |
| 441 | T | 90.3 | Very high | 87.3 | Confident | 12 Ų | 12 | 18.5 Ų | 18.5 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 177.4 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | E380 L383 R384 S437 L438 L443 S444 F445 | E380-T441 PolarHBondContact OE1-OG1 3.39Å; L383-T441 HydrophobicContact CB-CG2 3.99Å; R384-T441 HydrophobicContact CB-CG2 4.16Å; S437-T441 PolarHBondContact O-N 3.29Å; S437-T441 PolarHBondContact O-OG1 3.14Å; L438-T441 PolarHBondContact O-N 3.1Å; T441-L443 PolarHBondContact O-N 3.4Å; T441-S444 WeakPolarHBondContact O-CB 3.43Å; T441-S444 PolarHBondContact O-N 3.17Å; T441-S444 VanDerWaalsContact O-N 3.13Å; T441-S444 PolarHBondContact O-OG 3.24Å; T441-F445 HydrophobicContact CG2-CE2 4.21Å; T441-F445 WeakPolarHBondContact O-CD2 3.4Å; T441-F445 WeakPolarHBondContact O-CE2 3.41Å |
| 442 | I | 91.9 | Very high | 87.2 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 175.2 | -74 | 167 | 0 | 0 | 0 | 112.1 | L383 L396 I399 L438 F439 S444 F445 V450 | L383-I442 HydrophobicContact CD1-CG1 3.8Å; L396-I442 HydrophobicContact CD2-CG1 4.33Å; L396-I442 HydrophobicContact CD2-CG2 4.29Å; I399-I442 HydrophobicContact CD1-CD1 3.93Å; I399-I442 HydrophobicContact CD1-CG1 4.35Å; I399-I442 HydrophobicContact CG2-CD1 4.41Å; L438-I442 HydrophobicContact CD1-CD1 3.78Å; L438-I442 HydrophobicContact CD1-CG1 4.09Å; L438-I442 HydrophobicContact CD2-CD1 4.46Å; L438-I442 HydrophobicContact CG-CD1 3.72Å; L438-I442 HydrophobicContact CG-CG1 4.44Å; L438-I442 WeakPolarHBondContact O-CB 3.32Å; L438-I442 VanDerWaalsContact O-CG1 3.24Å; L438-I442 WeakPolarHBondContact O-CG1 3.33Å; L438-I442 PolarHBondContact O-N 2.83Å; F439-I442 HydrophobicContact CD1-CD1 4.44Å; F439-I442 PolarHBondContact O-N 3.41Å; I442-S444 PolarHBondContact O-N 2.87Å; I442-F445 PolarHBondContact O-N 3.41Å; I442-V450 HydrophobicContact CG2-CB 4.47Å; I442-V450 HydrophobicContact CG2-CG1 3.49Å; I442-V450 VanDerWaalsContact CG2-CG1 3.49Å; I442-V450 HydrophobicContact CG2-CG2 4.07Å |
| 443 | L | 86.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.3 | -17.7 | 178.9 | -70.4 | 171.6 | 0 | 0 | 0 | 113.2 | F439 T441 F445 H446 V450 M451 L454 F1135 I1160 L1164 Y1167 | F439-L443 WeakPolarHBondContact O-CB 3.35Å; F439-L443 VanDerWaalsContact O-CG 3.25Å; F439-L443 WeakPolarHBondContact O-CG 3.44Å; F439-L443 PolarHBondContact O-N 2.89Å; T441-L443 PolarHBondContact O-N 3.4Å; L443-F445 VanDerWaalsContact C-N 3.33Å; L443-H446 PolarHBondContact O-N 2.65Å; L443-H446 PolarHBondContact O-ND1 3.31Å; L443-V450 HydrophobicContact CD2-CG1 4.31Å; L443-M451 HydrophobicContact CD2-SD 3.58Å; L443-M451 VanDerWaalsContact CD2-SD 3.58Å; L443-L454 HydrophobicContact CD2-CD1 4.33Å; L443-F1135 HydrophobicContact CD1-CE1 4.35Å; L443-F1135 HydrophobicContact CD1-CZ 4.09Å; L443-I1160 HydrophobicContact CD1-CG2 4.06Å; L443-L1164 HydrophobicContact CD1-CD2 4.23Å; L443-L1164 HydrophobicContact CD2-CD2 4.26Å; L443-Y1167 PolarHBondContact O-OH 2.87Å |
| 444 | S | 84.7 | Confident | 87.2 | Confident | 61 Ų | 61 | 26.6 Ų | 26.6 | 43% | 0.427 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -75.7 | -17.2 | 177.6 | 80.6 | 0 | 0 | 0 | 0 | 114.1 | R440 T441 I442 H446 | R440-S444 PolarHBondContact O-N 2.98Å; R440-S444 VanDerWaalsContact O-N 3.17Å; T441-S444 WeakPolarHBondContact O-CB 3.43Å; T441-S444 PolarHBondContact O-N 3.17Å; T441-S444 VanDerWaalsContact O-N 3.13Å; T441-S444 PolarHBondContact O-OG 3.24Å; I442-S444 PolarHBondContact O-N 2.87Å; S444-H446 VanDerWaalsContact C-N 3.26Å; S444-H446 PolarHBondContact O-CD2 3.37Å; S444-H446 VanDerWaalsContact O-CD2 3.29Å; S444-H446 PolarHBondContact O-N 2.7Å; S444-H446 PolarHBondContact O-NE2 3.13Å |
| 445 | F | 83.4 | Confident | 87.1 | Confident | 35 Ų | 35 | 26.6 Ų | 26.6 | 15% | 0.154 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.1 | 173.1 | -63.3 | -68.6 | 0 | 0 | 0 | 113.8 | L383 I392 L396 T441 I442 L443 C447 | L383-F445 HydrophobicContact CB-CE2 4.03Å; L383-F445 HydrophobicContact CB-CZ 4.08Å; L383-F445 HydrophobicContact CD1-CE2 4.47Å; L383-F445 HydrophobicContact CD2-CE2 3.91Å; L383-F445 HydrophobicContact CD2-CZ 4.22Å; L383-F445 HydrophobicContact CG-CE2 4.37Å; I392-F445 HydrophobicContact CD1-CD1 4.35Å; I392-F445 HydrophobicContact CD1-CE1 4Å; I392-F445 HydrophobicContact CG1-CE1 4.21Å; I392-F445 HydrophobicContact CG2-CD1 3.64Å; I392-F445 HydrophobicContact CG2-CD2 4.37Å; I392-F445 HydrophobicContact CG2-CE1 3.71Å; I392-F445 HydrophobicContact CG2-CE2 4.43Å; I392-F445 HydrophobicContact CG2-CG 4Å; I392-F445 HydrophobicContact CG2-CZ 4.12Å; L396-F445 HydrophobicContact CD1-CB 4.27Å; L396-F445 HydrophobicContact CD1-CD2 4.34Å; L396-F445 HydrophobicContact CD1-CG 4.43Å; L396-F445 HydrophobicContact CD2-CD2 4.28Å; T441-F445 HydrophobicContact CG2-CE2 4.21Å; T441-F445 WeakPolarHBondContact O-CD2 3.4Å; T441-F445 WeakPolarHBondContact O-CE2 3.41Å; I442-F445 PolarHBondContact O-N 3.41Å; L443-F445 VanDerWaalsContact C-N 3.33Å; F445-C447 PolarHBondContact O-N 3.36Å |
| 446 | H | 79.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 28.4 Ų | 28.4 | 17% | 0.171 | 14% | 0.136 | C | C | . | . | trans | 54.2 | 26.9 | 179.6 | -58 | -49.7 | 0 | 0 | 0 | 114.7 | L443 S444 F534 R677 Y1167 | L443-H446 PolarHBondContact O-N 2.65Å; L443-H446 PolarHBondContact O-ND1 3.31Å; S444-H446 VanDerWaalsContact C-N 3.26Å; S444-H446 PolarHBondContact O-CD2 3.37Å; S444-H446 VanDerWaalsContact O-CD2 3.29Å; S444-H446 PolarHBondContact O-N 2.7Å; S444-H446 PolarHBondContact O-NE2 3.13Å; H446-F534 HydrophobicContact CB-CE1 4.11Å; H446-F534 HydrophobicContact CB-CE2 4.12Å; H446-F534 HydrophobicContact CB-CZ 3.52Å; H446-F534 AromaticContact CD2-CZ 3.88Å; H446-R677 VanDerWaalsContact CE1-CG 3.47Å; H446-R677 WeakPolarHBondContact CE1-CG 3.43Å; H446-Y1167 AromaticContact ND1-CE1 3.77Å; H446-Y1167 AromaticContact ND1-CZ 3.46Å; H446-Y1167 PolarHBondContact ND1-OH 3.17Å | ||
| 447 | C | 80.8 | Confident | 86.2 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 12% | 0.122 | 15% | 0.154 | C | C | . | . | trans | -69.3 | 128.4 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | L396 F445 V450 M451 | L396-C447 HydrophobicContact CD1-CB 3.92Å; F445-C447 PolarHBondContact O-N 3.36Å; C447-V450 HydrophobicContact CB-CB 4.09Å; C447-V450 HydrophobicContact CB-CG2 3.78Å; C447-V450 WeakPolarHBondContact O-CB 3.5Å; C447-V450 PolarHBondContact O-N 3.17Å; C447-M451 WeakPolarHBondContact O-CG 3.44Å; C447-M451 PolarHBondContact O-N 3.45Å; C447-M451 VanDerWaalsContact O-N 3.14Å | ||
| 448 | E | 79.2 | Confident | 85.8 | Confident | 57 Ų | 57 | 34.5 Ų | 34.5 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.5 | -41.5 | -179 | -66.3 | 177.8 | -106.2 | 0 | 0 | 112.1 | V450 M451 Y452 S530 W684 | E448-V450 VanDerWaalsContact C-N 3.31Å; E448-V450 PolarHBondContact O-N 2.89Å; E448-M451 PolarHBondContact O-N 3.43Å; E448-Y452 WeakPolarHBondContact O-CB 3.31Å; E448-Y452 PolarHBondContact O-N 2.85Å; E448-S530 VanDerWaalsContact OE1-CB 3.22Å; E448-S530 WeakPolarHBondContact OE1-CB 3.32Å; E448-S530 PolarHBondContact OE1-OG 2.81Å; E448-W684 PolarHBondContact OE2-NE1 2.93Å |
| 449 | D | 80.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 34.6 Ų | 34.6 | 32% | 0.321 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 178.4 | -59.4 | -24.8 | 0 | 0 | 0 | 112 | I400 E453 | I400-D449 HydrophobicContact CD1-CB 4.2Å; D449-E453 PolarHBondContact O-N 3.47Å |
| 450 | V | 87.4 | Confident | 84.2 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -51.1 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | L396 I400 I442 L443 C447 E448 Y452 L454 | L396-V450 HydrophobicContact CD1-CG2 4.32Å; L396-V450 HydrophobicContact CD2-CG2 4.14Å; I400-V450 HydrophobicContact CD1-CG2 3.74Å; I442-V450 HydrophobicContact CG2-CB 4.47Å; I442-V450 HydrophobicContact CG2-CG1 3.49Å; I442-V450 VanDerWaalsContact CG2-CG1 3.49Å; I442-V450 HydrophobicContact CG2-CG2 4.07Å; L443-V450 HydrophobicContact CD2-CG1 4.31Å; C447-V450 HydrophobicContact CB-CB 4.09Å; C447-V450 HydrophobicContact CB-CG2 3.78Å; C447-V450 WeakPolarHBondContact O-CB 3.5Å; C447-V450 PolarHBondContact O-N 3.17Å; E448-V450 VanDerWaalsContact C-N 3.31Å; E448-V450 PolarHBondContact O-N 2.89Å; V450-Y452 VanDerWaalsContact C-N 3.31Å; V450-Y452 PolarHBondContact O-N 3.17Å; V450-L454 HydrophobicContact CG1-CD1 3.84Å; V450-L454 VanDerWaalsContact O-CB 3.31Å; V450-L454 WeakPolarHBondContact O-CB 3.24Å; V450-L454 WeakPolarHBondContact O-CG 3.37Å; V450-L454 PolarHBondContact O-N 3.48Å |
| 451 | M | 85 | Confident | 83.4 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.2 | -33.5 | -178.3 | -70.6 | -67.1 | -69.4 | 0 | 0 | 111.9 | L443 C447 E448 I455 F456 L1164 Y1167 L1172 | L443-M451 HydrophobicContact CD2-SD 3.58Å; L443-M451 VanDerWaalsContact CD2-SD 3.58Å; C447-M451 WeakPolarHBondContact O-CG 3.44Å; C447-M451 PolarHBondContact O-N 3.45Å; C447-M451 VanDerWaalsContact O-N 3.14Å; E448-M451 PolarHBondContact O-N 3.43Å; M451-I455 HydrophobicContact CE-CD1 4.17Å; M451-I455 WeakPolarHBondContact O-CA 3.39Å; M451-I455 WeakPolarHBondContact O-CB 3.5Å; M451-I455 PolarHBondContact O-N 3.32Å; M451-I455 HydrophobicContact SD-CD1 4.44Å; M451-F456 HydrophobicContact CB-CD2 4.03Å; M451-F456 HydrophobicContact CB-CE2 3.65Å; M451-F456 HydrophobicContact CE-CE2 4.37Å; M451-F456 HydrophobicContact CE-CZ 4.14Å; M451-F456 PolarHBondContact O-N 2.94Å; M451-L1164 HydrophobicContact CE-CD2 3.98Å; M451-L1164 HydrophobicContact SD-CD2 4.22Å; M451-Y1167 HydrophobicContact CE-CD1 4.33Å; M451-Y1167 HydrophobicContact CE-CD2 3.91Å; M451-Y1167 HydrophobicContact CE-CE1 4.12Å; M451-Y1167 HydrophobicContact CE-CE2 3.68Å; M451-Y1167 HydrophobicContact CE-CG 4.22Å; M451-Y1167 HydrophobicContact SD-CE2 4.07Å; M451-L1172 HydrophobicContact CE-CD2 3.99Å |
| 452 | Y | 85.6 | Confident | 82.2 | Confident | 120 Ų | 120 | 39 Ų | 39 | 47% | 0.471 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -64.9 | -58 | 174.1 | 179.1 | -98.5 | 0 | 0 | 0 | 111.3 | E448 V450 L454 I455 F456 K457 L460 | E448-Y452 WeakPolarHBondContact O-CB 3.31Å; E448-Y452 PolarHBondContact O-N 2.85Å; V450-Y452 VanDerWaalsContact C-N 3.31Å; V450-Y452 PolarHBondContact O-N 3.17Å; Y452-L454 PolarHBondContact O-N 3.1Å; Y452-I455 PolarHBondContact O-N 3.15Å; Y452-F456 HydrophobicContact CD2-CB 4.23Å; Y452-F456 PolarHBondContact O-N 3.36Å; Y452-K457 HydrophobicContact CD1-CB 4.35Å; Y452-K457 HydrophobicContact CE1-CB 4.08Å; Y452-K457 HydrophobicContact CE1-CD 4.29Å; Y452-K457 HydrophobicContact CE1-CG 4.36Å; Y452-K457 HydrophobicContact CE2-CB 4.34Å; Y452-K457 WeakPolarHBondContact O-CB 3.39Å; Y452-K457 PolarHBondContact O-N 3.07Å; Y452-L460 HydrophobicContact CE2-CD1 4.21Å |
| 453 | E | 86.4 | Confident | 81.1 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -66.9 | -36.1 | -174.3 | -173 | 60.8 | -151.3 | 0 | 0 | 112.5 | I400 L410 D449 K457 H458 | I400-E453 HydrophobicContact CG2-CB 4.36Å; I400-E453 HydrophobicContact CG2-CG 4.25Å; L410-E453 HydrophobicContact CD2-CB 4.29Å; L410-E453 HydrophobicContact CD2-CG 3.53Å; D449-E453 PolarHBondContact O-N 3.47Å; E453-K457 IonicContact OE1-NZ 2.78Å; E453-K457 PolarHBondContact OE1-NZ 2.92Å; E453-K457 WeakPolarHBondContact OE2-CD 3.39Å; E453-K457 IonicContact OE2-NZ 3.16Å; E453-K457 PolarHBondContact OE2-NZ 3.44Å; E453-H458 PolarHBondContact O-CE1 3.02Å; E453-H458 VanDerWaalsContact O-CE1 3.27Å |
| 454 | L | 87.9 | Confident | 80.1 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -74.7 | -42.6 | 176.4 | -71.4 | 177.8 | 0 | 0 | 0 | 113.3 | L410 M414 F439 L443 V450 Y452 H458 F1135 | L410-L454 HydrophobicContact CD1-CD2 3.94Å; L410-L454 HydrophobicContact CD2-CD2 4.26Å; L410-L454 HydrophobicContact CG-CD2 4.35Å; M414-L454 HydrophobicContact SD-CD2 4.47Å; F439-L454 HydrophobicContact CD1-CD1 4.18Å; F439-L454 HydrophobicContact CE1-CD1 4.1Å; F439-L454 HydrophobicContact CE1-CD2 4.02Å; L443-L454 HydrophobicContact CD2-CD1 4.33Å; V450-L454 HydrophobicContact CG1-CD1 3.84Å; V450-L454 VanDerWaalsContact O-CB 3.31Å; V450-L454 WeakPolarHBondContact O-CB 3.24Å; V450-L454 WeakPolarHBondContact O-CG 3.37Å; V450-L454 PolarHBondContact O-N 3.48Å; Y452-L454 PolarHBondContact O-N 3.1Å; L454-H458 PolarHBondContact O-ND1 3.41Å; L454-F1135 HydrophobicContact CB-CB 4.42Å; L454-F1135 HydrophobicContact CB-CD1 4.03Å; L454-F1135 HydrophobicContact CB-CG 4.22Å; L454-F1135 HydrophobicContact CD1-CD1 4.37Å; L454-F1135 HydrophobicContact CD1-CE1 4.18Å; L454-F1135 HydrophobicContact CD1-CE2 4.35Å; L454-F1135 HydrophobicContact CD1-CZ 4.17Å; L454-F1135 HydrophobicContact CD2-CB 4.06Å; L454-F1135 HydrophobicContact CD2-CD1 4.4Å; L454-F1135 HydrophobicContact CD2-CD2 3.85Å; L454-F1135 HydrophobicContact CD2-CE2 4.4Å; L454-F1135 HydrophobicContact CD2-CG 3.86Å; L454-F1135 HydrophobicContact CG-CG 4.45Å |
| 455 | I | 87.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -125.5 | -64.7 | -163.8 | -64.6 | 176.1 | 0 | 0 | 0 | 112.2 | M451 Y452 K457 H458 L459 F1135 L1136 L1164 L1172 | M451-I455 HydrophobicContact CE-CD1 4.17Å; M451-I455 WeakPolarHBondContact O-CA 3.39Å; M451-I455 WeakPolarHBondContact O-CB 3.5Å; M451-I455 PolarHBondContact O-N 3.32Å; M451-I455 HydrophobicContact SD-CD1 4.44Å; Y452-I455 PolarHBondContact O-N 3.15Å; I455-K457 VanDerWaalsContact C-N 3.34Å; I455-K457 PolarHBondContact O-N 2.98Å; I455-H458 PolarHBondContact O-N 2.99Å; I455-L459 HydrophobicContact CG2-CD1 3.62Å; I455-L459 HydrophobicContact CG2-CG 4.16Å; I455-L459 PolarHBondContact O-N 3Å; I455-L459 VanDerWaalsContact O-N 3.07Å; I455-F1135 HydrophobicContact CD1-CD1 4.28Å; I455-F1135 HydrophobicContact CD1-CE1 4.33Å; I455-F1135 HydrophobicContact CG1-CD1 4.05Å; I455-L1136 HydrophobicContact CD1-CD2 4.42Å; I455-L1136 HydrophobicContact CG1-CD1 4.15Å; I455-L1136 HydrophobicContact CG1-CG 4.17Å; I455-L1136 HydrophobicContact CG2-CD1 3.93Å; I455-L1164 HydrophobicContact CD1-CD1 3.93Å; I455-L1164 HydrophobicContact CD1-CD2 3.42Å; I455-L1164 VanDerWaalsContact CD1-CD2 3.42Å; I455-L1164 HydrophobicContact CD1-CG 4.3Å; I455-L1172 HydrophobicContact CG2-CD1 4.04Å |
| 456 | F | 82.2 | Confident | 78 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 17% | 0.167 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -66.5 | -35 | -166.3 | -56.9 | -53.5 | 0 | 0 | 0 | 112.9 | M451 Y452 H458 L459 L460 C1169 L1172 | M451-F456 HydrophobicContact CB-CD2 4.03Å; M451-F456 HydrophobicContact CB-CE2 3.65Å; M451-F456 HydrophobicContact CE-CE2 4.37Å; M451-F456 HydrophobicContact CE-CZ 4.14Å; M451-F456 PolarHBondContact O-N 2.94Å; Y452-F456 HydrophobicContact CD2-CB 4.23Å; Y452-F456 PolarHBondContact O-N 3.36Å; F456-H458 PolarHBondContact O-N 2.94Å; F456-H458 VanDerWaalsContact O-N 3.11Å; F456-L459 PolarHBondContact O-N 3.18Å; F456-L460 HydrophobicContact CB-CD1 4.01Å; F456-L460 HydrophobicContact CB-CG 4.37Å; F456-L460 WeakPolarHBondContact O-CB 2.98Å; F456-L460 WeakPolarHBondContact O-CD1 3.07Å; F456-L460 WeakPolarHBondContact O-CG 3.44Å; F456-L460 PolarHBondContact O-N 3.03Å; F456-C1169 HydrophobicContact CE1-CB 4.33Å; F456-C1169 VanDerWaalsContact CE1-SG 3.56Å; F456-C1169 HydrophobicContact CZ-CB 4.2Å; F456-L1172 HydrophobicContact CE1-CB 4.27Å |
| 457 | K | 83.7 | Confident | 76.8 | Confident | 85 Ų | 85 | 44.1 Ų | 44.1 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -51.9 | -32.4 | 172.3 | 179.4 | 176.7 | -176.9 | 174.1 | 0 | 113.5 | Y452 E453 I455 | Y452-K457 HydrophobicContact CD1-CB 4.35Å; Y452-K457 HydrophobicContact CE1-CB 4.08Å; Y452-K457 HydrophobicContact CE1-CD 4.29Å; Y452-K457 HydrophobicContact CE1-CG 4.36Å; Y452-K457 HydrophobicContact CE2-CB 4.34Å; Y452-K457 WeakPolarHBondContact O-CB 3.39Å; Y452-K457 PolarHBondContact O-N 3.07Å; E453-K457 IonicContact OE1-NZ 2.78Å; E453-K457 PolarHBondContact OE1-NZ 2.92Å; E453-K457 WeakPolarHBondContact OE2-CD 3.39Å; E453-K457 IonicContact OE2-NZ 3.16Å; E453-K457 PolarHBondContact OE2-NZ 3.44Å; I455-K457 VanDerWaalsContact C-N 3.34Å; I455-K457 PolarHBondContact O-N 2.98Å |
| 458 | H | 82.6 | Confident | 75.1 | Confident | 44 Ų | 44 | 52 Ų | 52 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -90.1 | -43.2 | 179.9 | -55.9 | 106.1 | 0 | 0 | 0 | 111.9 | E453 L454 I455 F456 A461 I1132 | E453-H458 PolarHBondContact O-CE1 3.02Å; E453-H458 VanDerWaalsContact O-CE1 3.27Å; L454-H458 PolarHBondContact O-ND1 3.41Å; I455-H458 PolarHBondContact O-N 2.99Å; F456-H458 PolarHBondContact O-N 2.94Å; F456-H458 VanDerWaalsContact O-N 3.11Å; H458-A461 WeakPolarHBondContact O-CB 3.22Å; H458-A461 PolarHBondContact O-N 2.82Å; H458-I1132 WeakPolarHBondContact CB-O 3.27Å |
| 459 | L | 78.9 | Confident | 73.5 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 176.8 | -65.6 | -178.2 | 0 | 0 | 0 | 112.4 | I455 F456 A461 L462 H464 I1132 L1172 F1175 | I455-L459 HydrophobicContact CG2-CD1 3.62Å; I455-L459 HydrophobicContact CG2-CG 4.16Å; I455-L459 PolarHBondContact O-N 3Å; I455-L459 VanDerWaalsContact O-N 3.07Å; F456-L459 PolarHBondContact O-N 3.18Å; L459-A461 PolarHBondContact O-N 3.18Å; L459-L462 PolarHBondContact O-N 3.4Å; L459-H464 PolarHBondContact O-CE1 3.3Å; L459-I1132 HydrophobicContact CD2-CG2 3.93Å; L459-L1172 HydrophobicContact CD1-CD1 4.18Å; L459-F1175 HydrophobicContact CD2-CD1 4.31Å; L459-F1175 HydrophobicContact CD2-CD2 4.17Å; L459-F1175 HydrophobicContact CD2-CG 4.04Å |
| 460 | L | 75 | Confident | 71.7 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 37% | 0.372 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.5 | 178.5 | -69.5 | 169.5 | 0 | 0 | 0 | 113.4 | Y452 F456 L462 A486 L1171 | Y452-L460 HydrophobicContact CE2-CD1 4.21Å; F456-L460 HydrophobicContact CB-CD1 4.01Å; F456-L460 HydrophobicContact CB-CG 4.37Å; F456-L460 WeakPolarHBondContact O-CB 2.98Å; F456-L460 WeakPolarHBondContact O-CD1 3.07Å; F456-L460 WeakPolarHBondContact O-CG 3.44Å; F456-L460 PolarHBondContact O-N 3.03Å; L460-L462 PolarHBondContact O-N 3.08Å; L460-A486 HydrophobicContact CD2-CB 3.55Å; L460-L1171 HydrophobicContact CD2-CD1 3.64Å |
| 461 | A | 71.8 | Confident | 69.4 | Low | 49 Ų | 49 | 61.9 Ų | 61.9 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H458 L459 N463 | H458-A461 WeakPolarHBondContact O-CB 3.22Å; H458-A461 PolarHBondContact O-N 2.82Å; L459-A461 PolarHBondContact O-N 3.18Å; A461-N463 WeakPolarHBondContact CB-ND2 3.27Å; A461-N463 PolarHBondContact O-N 3.45Å |
| 462 | L | 65.3 | Low | 67.3 | Low | 61 Ų | 61 | 66.2 Ų | 66.2 | 32% | 0.319 | 34% | 0.336 | S | S | . | . | trans | 53 | 8.7 | 177.4 | -57.1 | 177.5 | 0 | 0 | 0 | 116 | L459 L460 H464 L465 T483 | L459-L462 PolarHBondContact O-N 3.4Å; L460-L462 PolarHBondContact O-N 3.08Å; L462-H464 PolarHBondContact O-N 3.41Å; L462-L465 HydrophobicContact CB-CD1 4.29Å; L462-L465 HydrophobicContact CD2-CD1 3.91Å; L462-L465 WeakPolarHBondContact O-CB 3.44Å; L462-L465 PolarHBondContact O-N 2.93Å; L462-T483 HydrophobicContact CD1-CG2 4.12Å | ||
| 463 | N | 68 | Low | 65.2 | Low | 97 Ų | 97 | 63.3 Ų | 63.3 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -19.8 | -177.3 | -77.6 | -46.5 | 0 | 0 | 0 | 114 | A461 K1185 | A461-N463 WeakPolarHBondContact CB-ND2 3.27Å; A461-N463 PolarHBondContact O-N 3.45Å; N463-K1185 WeakPolarHBondContact O-CD 3.38Å; N463-K1185 PolarHBondContact O-NZ 2.91Å |
| 464 | H | 67.3 | Low | 63.1 | Low | 9 Ų | 9 | 66.9 Ų | 66.9 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.8 | 179.1 | 63.2 | -91 | 0 | 0 | 0 | 114.8 | L459 L462 G1130 I1132 K1185 V1188 | L459-H464 PolarHBondContact O-CE1 3.3Å; L462-H464 PolarHBondContact O-N 3.41Å; H464-G1130 WeakPolarHBondContact CA-O 3.45Å; H464-I1132 HydrophobicContact CB-CG1 4.42Å; H464-K1185 PolarHBondContact O-N 2.92Å; H464-V1188 HydrophobicContact CB-CG1 4.22Å; H464-V1188 HydrophobicContact CB-CG2 4.05Å |
| 465 | L | 63 | Low | 60.8 | Low | 17 Ų | 17 | 69.9 Ų | 69.9 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 145.9 | 179.8 | -56.8 | -176.6 | 0 | 0 | 0 | 112.1 | L462 F470 L1182 I1184 K1185 | L462-L465 HydrophobicContact CB-CD1 4.29Å; L462-L465 HydrophobicContact CD2-CD1 3.91Å; L462-L465 WeakPolarHBondContact O-CB 3.44Å; L462-L465 PolarHBondContact O-N 2.93Å; L465-F470 HydrophobicContact CB-CD2 3.95Å; L465-F470 HydrophobicContact CB-CE2 3.63Å; L465-F470 HydrophobicContact CD1-CD2 4.42Å; L465-F470 HydrophobicContact CD1-CE2 3.73Å; L465-F470 HydrophobicContact CD1-CZ 3.9Å; L465-F470 HydrophobicContact CD2-CE2 3.77Å; L465-F470 HydrophobicContact CD2-CZ 4.14Å; L465-F470 HydrophobicContact CG-CE2 3.89Å; L465-F470 HydrophobicContact CG-CZ 4.43Å; L465-L1182 HydrophobicContact CD2-CB 4.29Å; L465-L1182 HydrophobicContact CD2-CD2 4.21Å; L465-I1184 HydrophobicContact CD2-CG1 3.98Å; L465-K1185 VanDerWaalsContact O-CE 3.32Å; L465-K1185 WeakPolarHBondContact O-CE 3.39Å; L465-K1185 PolarHBondContact O-NZ 3.35Å |
| 466 | D | 60 | Low | 58.5 | Low | 39 Ų | 39 | 72.1 Ų | 72.1 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | trans | -87.8 | 106.2 | 173.9 | -94.4 | -29.8 | 0 | 0 | 0 | 111.5 | E468 R469 F470 S1183 K1185 P1186 | D466-E468 PolarHBondContact O-N 2.99Å; D466-R469 HydrophobicContact CB-CB 4.4Å; D466-R469 PolarHBondContact O-N 3.45Å; D466-F470 PolarHBondContact O-N 2.81Å; D466-F470 VanDerWaalsContact O-N 3.14Å; D466-S1183 PolarHBondContact N-O 3Å; D466-K1185 HydrophobicContact CB-CG 4.34Å; D466-K1185 VanDerWaalsContact CG-CG 3.46Å; D466-K1185 WeakPolarHBondContact OD1-CG 3.48Å; D466-K1185 WeakPolarHBondContact OD2-CA 3.22Å; D466-P1186 WeakPolarHBondContact OD2-CD 3.42Å | ||
| 467 | S | 54 | Low | 56.3 | Low | 90 Ų | 90 | 77.1 Ų | 77.1 | 63% | 0.629 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -56.4 | -36.8 | -179.8 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | R469 F470 | S467-R469 VanDerWaalsContact C-N 3.32Å; S467-R469 PolarHBondContact O-N 2.91Å; S467-F470 PolarHBondContact O-N 3.38Å |
| 468 | E | 46.1 | Very low | 54.4 | Low | 182 Ų | 182 | 74.5 Ų | 74.5 | 85% | 0.85 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.5 | -25.1 | -176.7 | -61.5 | -177.5 | 169.3 | 0 | 0 | 113.4 | D466 | D466-E468 PolarHBondContact O-N 2.99Å |
| 469 | R | 46 | Very low | 52.4 | Low | 178 Ų | 178 | 77.2 Ų | 77.2 | 67% | 0.672 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -95.6 | -23.2 | 177.2 | -71.6 | -174.8 | 174.2 | -162.2 | -3 | 113.2 | D466 S467 D471 S472 | D466-R469 HydrophobicContact CB-CB 4.4Å; D466-R469 PolarHBondContact O-N 3.45Å; S467-R469 VanDerWaalsContact C-N 3.32Å; S467-R469 PolarHBondContact O-N 2.91Å; R469-D471 VanDerWaalsContact C-N 3.32Å; R469-D471 PolarHBondContact O-N 2.97Å; R469-S472 PolarHBondContact O-OG 3.27Å |
| 470 | F | 42.3 | Very low | 50.5 | Low | 38 Ų | 38 | 81.6 Ų | 81.6 | 17% | 0.167 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.9 | -31.2 | 178.1 | -104.3 | -76.9 | 0 | 0 | 0 | 113.8 | L465 D466 S467 S472 L1182 S1183 | L465-F470 HydrophobicContact CB-CD2 3.95Å; L465-F470 HydrophobicContact CB-CE2 3.63Å; L465-F470 HydrophobicContact CD1-CD2 4.42Å; L465-F470 HydrophobicContact CD1-CE2 3.73Å; L465-F470 HydrophobicContact CD1-CZ 3.9Å; L465-F470 HydrophobicContact CD2-CE2 3.77Å; L465-F470 HydrophobicContact CD2-CZ 4.14Å; L465-F470 HydrophobicContact CG-CE2 3.89Å; L465-F470 HydrophobicContact CG-CZ 4.43Å; D466-F470 PolarHBondContact O-N 2.81Å; D466-F470 VanDerWaalsContact O-N 3.14Å; S467-F470 PolarHBondContact O-N 3.38Å; F470-S472 VanDerWaalsContact C-N 3.35Å; F470-L1182 HydrophobicContact CZ-CB 4.44Å; F470-L1182 HydrophobicContact CZ-CD2 4.07Å; F470-S1183 WeakPolarHBondContact CD2-OG 3.47Å; F470-S1183 WeakPolarHBondContact CE2-O 3.35Å; F470-S1183 WeakPolarHBondContact CE2-OG 3.08Å; F470-S1183 PolarHBondContact N-OG 3.48Å |
| 471 | D | 38.5 | Very low | 48.9 | Very low | 115 Ų | 115 | 82.3 Ų | 82.3 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 6.6 | -175 | -70 | -16.6 | 0 | 0 | 0 | 114.1 | R469 K479 | R469-D471 VanDerWaalsContact C-N 3.32Å; R469-D471 PolarHBondContact O-N 2.97Å; D471-K479 IonicContact OD1-NZ 2.7Å; D471-K479 PolarHBondContact OD1-NZ 2.96Å; D471-K479 IonicContact OD2-NZ 2.68Å |
| 472 | S | 41.8 | Very low | 47.4 | Very low | 97 Ų | 97 | 80.6 Ų | 80.6 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | 4.1 | 178.6 | 48.4 | 0 | 0 | 0 | 0 | 115 | R469 F470 | R469-S472 PolarHBondContact O-OG 3.27Å; F470-S472 VanDerWaalsContact C-N 3.35Å |
| 473 | S | 40.3 | Very low | 46.2 | Very low | 59 Ų | 59 | 79.9 Ų | 79.9 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -93.1 | 141.5 | 171.3 | -170.6 | 0 | 0 | 0 | 0 | 111.2 | N475 | S473-N475 PolarHBondContact O-N 2.97Å; S473-N475 VanDerWaalsContact O-N 3.1Å; S473-N475 PolarHBondContact OG-ND2 2.82Å |
| 474 | P | 42.3 | Very low | 44.6 | Very low | 130 Ų | 130 | 76.1 Ų | 76.1 | 84% | 0.844 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -64.7 | -11.7 | 172.8 | 27.3 | -35.3 | 0 | 0 | 0 | 113.5 | G476 | P474-G476 PolarHBondContact O-N 3.03Š|
| 475 | N | 39.9 | Very low | 43.3 | Very low | 67 Ų | 67 | 78 Ų | 78 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | trans | -74.9 | 45.4 | 177.1 | -67.5 | -78.1 | 0 | 0 | 0 | 113.6 | S473 L477 H478 K1016 | S473-N475 PolarHBondContact O-N 2.97Å; S473-N475 VanDerWaalsContact O-N 3.1Å; S473-N475 PolarHBondContact OG-ND2 2.82Å; N475-L477 PolarHBondContact O-N 3.16Å; N475-H478 PolarHBondContact O-N 3.46Å; N475-K1016 PolarHBondContact OD1-NZ 3.49Å | ||
| 476 | G | 40.1 | Very low | 41.9 | Very low | 47 Ų | 47 | 79.1 Ų | 79.1 | 49% | 0.485 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -54.1 | -26 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P474 H478 K479 T480 | P474-G476 PolarHBondContact O-N 3.03Å; G476-H478 PolarHBondContact O-N 3.43Å; G476-K479 WeakPolarHBondContact O-CB 3.39Å; G476-K479 PolarHBondContact O-N 3.41Å; G476-T480 PolarHBondContact O-N 2.94Å |
| 477 | L | 36 | Very low | 40.5 | Very low | 143 Ų | 143 | 82.1 Ų | 82.1 | 75% | 0.749 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.9 | -34.2 | 171.2 | -75.6 | 166.9 | 0 | 0 | 0 | 114.3 | N475 K479 T480 L481 | N475-L477 PolarHBondContact O-N 3.16Å; L477-K479 VanDerWaalsContact C-N 3.31Å; L477-K479 PolarHBondContact O-N 3.42Å; L477-T480 CarbonylContact O-C 3.53Å; L477-T480 PolarHBondContact O-N 3.4Å; L477-L481 WeakPolarHBondContact O-CB 3.46Å; L477-L481 PolarHBondContact O-N 2.75Å |
| 478 | H | 43.1 | Very low | 39.5 | Very low | 30 Ų | 30 | 82.4 Ų | 82.4 | 14% | 0.139 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.8 | -33.9 | 178.1 | -97.4 | -90.4 | 0 | 0 | 0 | 111.9 | N475 G476 T480 L481 L482 E1174 | N475-H478 PolarHBondContact O-N 3.46Å; G476-H478 PolarHBondContact O-N 3.43Å; H478-T480 VanDerWaalsContact C-N 3.3Å; H478-T480 PolarHBondContact O-N 2.92Å; H478-L481 PolarHBondContact O-N 3.34Å; H478-L482 WeakPolarHBondContact O-CB 3.5Å; H478-L482 PolarHBondContact O-N 3.08Å; H478-E1174 IonicContact CE1-OE1 3.76Å; H478-E1174 IonicContact CE1-OE2 2.7Å; H478-E1174 IonicContact ND1-OE1 2.73Å; H478-E1174 IonicContact ND1-OE2 3.19Å; H478-E1174 PolarHBondContact ND1-OE2 3.38Å |
| 479 | K | 39.7 | Very low | 38.6 | Very low | 100 Ų | 100 | 78.8 Ų | 78.8 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 172.6 | -157 | 171.6 | -171.6 | 174.7 | 0 | 109.4 | D471 G476 L477 T483 | D471-K479 IonicContact OD1-NZ 2.7Å; D471-K479 PolarHBondContact OD1-NZ 2.96Å; D471-K479 IonicContact OD2-NZ 2.68Å; G476-K479 WeakPolarHBondContact O-CB 3.39Å; G476-K479 PolarHBondContact O-N 3.41Å; L477-K479 VanDerWaalsContact C-N 3.31Å; L477-K479 PolarHBondContact O-N 3.42Å; K479-T483 VanDerWaalsContact O-CB 3.25Å; K479-T483 WeakPolarHBondContact O-CB 3.22Å; K479-T483 VanDerWaalsContact O-CG2 3.3Å; K479-T483 WeakPolarHBondContact O-CG2 3.34Å; K479-T483 PolarHBondContact O-N 3.42Å; K479-T483 PolarHBondContact O-OG1 2.98Å |
| 480 | T | 39.1 | Very low | 37.7 | Very low | 95 Ų | 95 | 74.8 Ų | 74.8 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -73.1 | -24.7 | 176.6 | -43.3 | 0 | 0 | 0 | 0 | 113.8 | G476 L477 H478 G484 | G476-T480 PolarHBondContact O-N 2.94Å; L477-T480 CarbonylContact O-C 3.53Å; L477-T480 PolarHBondContact O-N 3.4Å; H478-T480 VanDerWaalsContact C-N 3.3Å; H478-T480 PolarHBondContact O-N 2.92Å; T480-G484 WeakPolarHBondContact O-CA 3.3Å; T480-G484 PolarHBondContact O-N 3.46Å |
| 481 | L | 41.3 | Very low | 36.9 | Very low | 86 Ų | 86 | 80.6 Ų | 80.6 | 45% | 0.45 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -80.7 | -46.1 | 179.4 | -164.7 | 74.8 | 0 | 0 | 0 | 111.6 | L477 H478 S485 | L477-L481 WeakPolarHBondContact O-CB 3.46Å; L477-L481 PolarHBondContact O-N 2.75Å; H478-L481 PolarHBondContact O-N 3.34Å; L481-S485 WeakPolarHBondContact O-CB 3.46Å; L481-S485 PolarHBondContact O-N 2.85Å; L481-S485 PolarHBondContact O-OG 3.13Å |
| 482 | L | 40.7 | Very low | 36.4 | Very low | 13 Ų | 13 | 82.4 Ų | 82.4 | 7% | 0.068 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70.9 | -48.8 | 176.4 | -74.6 | 154.1 | 0 | 0 | 0 | 111.5 | H478 A486 L1171 L1182 | H478-L482 WeakPolarHBondContact O-CB 3.5Å; H478-L482 PolarHBondContact O-N 3.08Å; L482-A486 PolarHBondContact O-N 3.39Å; L482-L1171 HydrophobicContact CD2-CD2 3.86Å; L482-L1182 HydrophobicContact CD1-CD2 3.34Å; L482-L1182 HydrophobicContact CD2-CD2 4.42Å |
| 483 | T | 40.7 | Very low | 35.8 | Very low | 45 Ų | 45 | 81.3 Ų | 81.3 | 28% | 0.276 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.5 | -39.9 | 175.5 | 67.4 | 0 | 0 | 0 | 0 | 110.5 | L462 K479 S485 A486 L487 | L462-T483 HydrophobicContact CD1-CG2 4.12Å; K479-T483 VanDerWaalsContact O-CB 3.25Å; K479-T483 WeakPolarHBondContact O-CB 3.22Å; K479-T483 VanDerWaalsContact O-CG2 3.3Å; K479-T483 WeakPolarHBondContact O-CG2 3.34Å; K479-T483 PolarHBondContact O-N 3.42Å; K479-T483 PolarHBondContact O-OG1 2.98Å; T483-S485 PolarHBondContact O-N 3.42Å; T483-A486 CarbonylContact O-C 3.54Å; T483-A486 VanDerWaalsContact O-C 3.28Å; T483-A486 WeakPolarHBondContact O-CA 3.42Å; T483-A486 WeakPolarHBondContact O-CB 3.35Å; T483-A486 PolarHBondContact O-N 3.35Å; T483-L487 WeakPolarHBondContact O-CA 3.17Å; T483-L487 WeakPolarHBondContact O-CB 3.36Å; T483-L487 VanDerWaalsContact O-CG 3.23Å; T483-L487 WeakPolarHBondContact O-CG 3.48Å; T483-L487 PolarHBondContact O-N 2.84Å |
| 484 | G | 34.8 | Very low | 35.1 | Very low | 18 Ų | 18 | 85 Ų | 85 | 19% | 0.186 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T480 A486 L487 C488 | T480-G484 WeakPolarHBondContact O-CA 3.3Å; T480-G484 PolarHBondContact O-N 3.46Å; G484-A486 PolarHBondContact O-N 2.9Å; G484-A486 VanDerWaalsContact O-N 3.15Å; G484-L487 CarbonylContact O-C 2.96Å; G484-L487 VanDerWaalsContact O-C 3.3Å; G484-L487 PolarHBondContact O-N 3.26Å; G484-L487 VanDerWaalsContact O-N 3.08Å; G484-C488 PolarHBondContact O-N 2.87Å; G484-C488 PolarHBondContact O-SG 2.9Å |
| 485 | S | 39 | Very low | 34.4 | Very low | 48 Ų | 48 | 85.6 Ų | 85.6 | 34% | 0.336 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -16.3 | 171.6 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | L481 T483 | L481-S485 WeakPolarHBondContact O-CB 3.46Å; L481-S485 PolarHBondContact O-N 2.85Å; L481-S485 PolarHBondContact O-OG 3.13Å; T483-S485 PolarHBondContact O-N 3.42Å |
| 486 | A | 33.6 | Very low | 33.7 | Very low | 42 Ų | 42 | 90.8 Ų | 90.8 | 35% | 0.347 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -105.1 | -12.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L460 L482 T483 G484 | L460-A486 HydrophobicContact CD2-CB 3.55Å; L482-A486 PolarHBondContact O-N 3.39Å; T483-A486 CarbonylContact O-C 3.54Å; T483-A486 VanDerWaalsContact O-C 3.28Å; T483-A486 WeakPolarHBondContact O-CA 3.42Å; T483-A486 WeakPolarHBondContact O-CB 3.35Å; T483-A486 PolarHBondContact O-N 3.35Å; G484-A486 PolarHBondContact O-N 2.9Å; G484-A486 VanDerWaalsContact O-N 3.15Å |
| 487 | L | 31.4 | Very low | 33 | Very low | 101 Ų | 101 | 97.1 Ų | 97.1 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | trans | -137.6 | 39.4 | -169.3 | -57.4 | 179 | 0 | 0 | 0 | 111.1 | T483 G484 L489 | T483-L487 WeakPolarHBondContact O-CA 3.17Å; T483-L487 WeakPolarHBondContact O-CB 3.36Å; T483-L487 VanDerWaalsContact O-CG 3.23Å; T483-L487 WeakPolarHBondContact O-CG 3.48Å; T483-L487 PolarHBondContact O-N 2.84Å; G484-L487 CarbonylContact O-C 2.96Å; G484-L487 VanDerWaalsContact O-C 3.3Å; G484-L487 PolarHBondContact O-N 3.26Å; G484-L487 VanDerWaalsContact O-N 3.08Å; L487-L489 PolarHBondContact O-N 3.03Å | ||
| 488 | C | 32.4 | Very low | 32.5 | Very low | 97 Ų | 97 | 95.9 Ų | 95.9 | 66% | 0.655 | 56% | 0.562 | S | S | * | * | trans | -69.9 | 39.7 | 157.3 | -77.6 | 0 | 0 | 0 | 0 | 111.2 | G484 | G484-C488 PolarHBondContact O-N 2.87Å; G484-C488 PolarHBondContact O-SG 2.9Å | ||
| 489 | L | 28.3 | Very low | 31.6 | Very low | 105 Ų | 105 | 102.8 Ų | 102.8 | 55% | 0.55 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -139.2 | 105.7 | 178.7 | -72.9 | 173.1 | 0 | 0 | 0 | 106.1 | L487 L501 | L487-L489 PolarHBondContact O-N 3.03Å; L489-L501 HydrophobicContact CD2-CD1 4.23Å |
| 490 | S | 25.7 | Very low | 31.1 | Very low | 95 Ų | 95 | 103 Ų | 103 | 66% | 0.664 | 60% | 0.597 | S | S | * | * | trans | 69.6 | 94.2 | -176.7 | -178.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 491 | N | 26.6 | Very low | 30.4 | Very low | 159 Ų | 159 | 105.1 Ų | 105.1 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | trans | -116.6 | 99.9 | 148.8 | -169.4 | 14.6 | 0 | 0 | 0 | 109.9 | ||||
| 492 | N | 27.4 | Very low | 29.6 | Very low | 153 Ų | 153 | 110.7 Ų | 110.7 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | trans | -158.8 | 120.4 | 164.4 | -113.5 | -29.5 | 0 | 0 | 0 | 108.8 | T494 | N492-T494 PolarHBondContact O-N 3.44Š| ||
| 493 | G | 28.5 | Very low | 28.7 | Very low | 75 Ų | 75 | 114.7 Ų | 114.7 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | trans | -81.4 | 111.3 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 494 | T | 27.3 | Very low | 28 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | trans | -146.3 | 153.6 | 140.9 | 37.9 | 0 | 0 | 0 | 0 | 109.6 | N492 Q496 | N492-T494 PolarHBondContact O-N 3.44Å; T494-Q496 PolarHBondContact O-N 2.85Å | ||
| 495 | T | 27.4 | Very low | 27.6 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 87% | 0.871 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -73.1 | 91.4 | -171.8 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 496 | Q | 25.7 | Very low | 27.2 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -155 | 156.6 | 161.7 | -114 | 161 | 77.3 | 0 | 0 | 110.2 | T494 | T494-Q496 PolarHBondContact O-N 2.85Š|
| 497 | Q | 24.6 | Very low | 26.8 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | -61.9 | 146.2 | -177.9 | -73.8 | 178.7 | -26.8 | 0 | 0 | 111.9 | K499 | Q497-K499 PolarHBondContact O-N 3.2Å; Q497-K499 VanDerWaalsContact O-N 3.09Å | ||
| 498 | P | 25.4 | Very low | 26.6 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 112.3 | -176 | 26.3 | -34.4 | 0 | 0 | 0 | 111.3 | L500 | P498-L500 PolarHBondContact O-N 2.77Š| ||
| 499 | K | 24.7 | Very low | 26.3 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -74.3 | 115.5 | 162.9 | -74.5 | 178.4 | 178.3 | 171.8 | 0 | 108.3 | Q497 | Q497-K499 PolarHBondContact O-N 3.2Å; Q497-K499 VanDerWaalsContact O-N 3.09Å | ||
| 500 | L | 28.3 | Very low | 26.2 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 56% | 0.555 | 79% | 0.789 | S | S | * | * | trans | -59.3 | 148.6 | 168 | -66.5 | 170.5 | 0 | 0 | 0 | 110.1 | P498 W502 | P498-L500 PolarHBondContact O-N 2.77Å; L500-W502 HydrophobicContact CB-CE3 4.07Å; L500-W502 HydrophobicContact CB-CZ3 4.31Å; L500-W502 HydrophobicContact CD1-CE3 4.38Å; L500-W502 HydrophobicContact CD1-CZ3 3.91Å; L500-W502 PolarHBondContact O-N 3.38Å | ||
| 501 | L | 23.6 | Very low | 26.2 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -78.1 | 48.4 | -168.7 | -112.3 | 166 | 0 | 0 | 0 | 113.8 | L489 | L489-L501 HydrophobicContact CD2-CD1 4.23Š|
| 502 | W | 25.5 | Very low | 26.1 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -133.4 | 63 | 178.6 | -56.4 | -46.7 | 0 | 0 | 0 | 111.2 | L500 | L500-W502 HydrophobicContact CB-CE3 4.07Å; L500-W502 HydrophobicContact CB-CZ3 4.31Å; L500-W502 HydrophobicContact CD1-CE3 4.38Å; L500-W502 HydrophobicContact CD1-CZ3 3.91Å; L500-W502 PolarHBondContact O-N 3.38Å | ||
| 503 | S | 22.9 | Very low | 25.9 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -146.1 | 73.3 | 177.8 | 74.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 504 | T | 24.8 | Very low | 25.8 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -94 | 82.4 | 162.2 | 40.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 505 | S | 27.5 | Very low | 25.7 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -81.1 | 145.1 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | R507 | S505-R507 PolarHBondContact OG-N 2.78Š| ||
| 506 | P | 29.8 | Very low | 25.4 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -127.2 | 98.5 | 138.6 | 35 | -25.7 | 0 | 0 | 0 | 113.6 | ||||
| 507 | R | 24.9 | Very low | 25.5 | Very low | 235 Ų | 235 | 153.9 Ų | 153.9 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | 57.5 | 95.2 | 122.8 | -168.1 | -169.9 | -164 | 172.7 | 5.8 | 118.5 | S505 | S505-R507 PolarHBondContact OG-N 2.78Š| |||
| 508 | S | 26.5 | Very low | 25.5 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | -154.4 | 176.6 | 127.2 | 79.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 509 | T | 26.4 | Very low | 25.7 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -113.7 | 139.7 | -164.1 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 510 | V | 27.3 | Very low | 26.2 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | 174.1 | 159.6 | 129.3 | 148.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 511 | K | 25.2 | Very low | 26.4 | Very low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -93.1 | 131 | -173.8 | -52.8 | 169.8 | -177.2 | 176.3 | 0 | 111.7 | ||||
| 512 | H | 23.7 | Very low | 26.9 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 169.6 | 133.9 | 119.6 | -104.9 | -94.6 | 0 | 0 | 0 | 114 | |||||
| 513 | T | 24.2 | Very low | 27.2 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | trans | 29.4 | 98.7 | 150 | 54.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 514 | T | 25.1 | Very low | 27.8 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | -175.2 | 146 | 122.3 | 19 | 0 | 0 | 0 | 0 | 110.3 | Y516 | T514-Y516 PolarHBondContact O-N 3.48Š| |||
| 515 | Y | 25.3 | Very low | 28.2 | Very low | 243 Ų | 243 | 134.7 Ų | 134.7 | 95% | 0.953 | 71% | 0.705 | S | S | * | * | trans | -85.3 | 100 | 173.3 | -78.4 | -81.5 | 0 | 0 | 0 | 110 | ||||
| 516 | Y | 23 | Very low | 28.4 | Very low | 211 Ų | 211 | 136.3 Ų | 136.3 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 128.9 | 164.2 | -92.9 | -92.4 | 0 | 0 | 0 | 110 | T514 | T514-Y516 PolarHBondContact O-N 3.48Š|
| 517 | H | 25.8 | Very low | 28.6 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 138.1 | 170.2 | -143.5 | -82.7 | 0 | 0 | 0 | 108.9 | ||
| 518 | P | 26.2 | Very low | 29.2 | Very low | 100 Ų | 100 | 123 Ų | 123 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 144.4 | 171.4 | 27.7 | -34.3 | 0 | 0 | 0 | 110.4 | ||
| 519 | T | 29.8 | Very low | 29.7 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 55% | 0.546 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -81.7 | 154 | -179.8 | 57.7 | 0 | 0 | 0 | 0 | 112 | D521 | T519-D521 PolarHBondContact O-N 2.75Å; T519-D521 VanDerWaalsContact O-N 3.17Å |
| 520 | V | 34.8 | Very low | 30.1 | Very low | 85 Ų | 85 | 116 Ų | 116 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -59.6 | -28.4 | -174.8 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | T401 Q522 L523 I524 | T401-V520 HydrophobicContact CG2-CG1 4.07Å; V520-Q522 PolarHBondContact O-N 2.73Å; V520-L523 PolarHBondContact O-N 3.37Å; V520-I524 HydrophobicContact CG1-CG1 4.47Å |
| 521 | D | 32.1 | Very low | 30.4 | Very low | 96 Ų | 96 | 110.6 Ų | 110.6 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -57.2 | -25.7 | -172.3 | -54.5 | -72.6 | 0 | 0 | 0 | 115.1 | T519 | T519-D521 PolarHBondContact O-N 2.75Å; T519-D521 VanDerWaalsContact O-N 3.17Å |
| 522 | Q | 33.9 | Very low | 30.8 | Very low | 157 Ų | 157 | 105.3 Ų | 105.3 | 73% | 0.734 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -76.6 | -19.4 | -179.4 | -64.1 | -172.5 | -6 | 0 | 0 | 113.8 | V520 | V520-Q522 PolarHBondContact O-N 2.73Š|
| 523 | L | 32.1 | Very low | 31.5 | Very low | 97 Ų | 97 | 101 Ų | 101 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -26.9 | 179.9 | -68.8 | 165.1 | 0 | 0 | 0 | 112.9 | V520 P525 L527 | V520-L523 PolarHBondContact O-N 3.37Å; L523-P525 VanDerWaalsContact C-CD 3.43Å; L523-L527 HydrophobicContact CB-CD1 4.37Å |
| 524 | I | 35.2 | Very low | 32 | Very low | 44 Ų | 44 | 97.7 Ų | 97.7 | 23% | 0.226 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -56.9 | -38 | -169.1 | -55.8 | -178 | 0 | 0 | 0 | 114.5 | K397 V520 H526 V528 | K397-I524 HydrophobicContact CD-CD1 4.21Å; V520-I524 HydrophobicContact CG1-CG1 4.47Å; I524-H526 PolarHBondContact O-N 3.15Å; I524-V528 WeakPolarHBondContact O-CG2 3.28Å |
| 525 | P | 33 | Very low | 32.6 | Very low | 89 Ų | 89 | 93.9 Ų | 93.9 | 58% | 0.578 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.1 | -30.3 | -172.2 | -24.2 | 35.4 | 0 | 0 | 0 | 115.9 | L523 | L523-P525 VanDerWaalsContact C-CD 3.43Å |
| 526 | H | 31.7 | Very low | 33.2 | Very low | 143 Ų | 143 | 85.7 Ų | 85.7 | 66% | 0.662 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -92 | -38 | -170.3 | -79.2 | -100 | 0 | 0 | 0 | 113.7 | I524 V528 K529 | I524-H526 PolarHBondContact O-N 3.15Å; H526-V528 PolarHBondContact O-N 2.81Å; H526-K529 VanDerWaalsContact O-CB 3.29Å; H526-K529 WeakPolarHBondContact O-CB 3.29Å; H526-K529 PolarHBondContact O-N 3.04Å |
| 527 | L | 34.7 | Very low | 33.7 | Very low | 63 Ų | 63 | 79 Ų | 79 | 33% | 0.33 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -36.6 | -178.2 | -71.9 | 155.8 | 0 | 0 | 0 | 112.4 | L523 K529 S530 | L523-L527 HydrophobicContact CB-CD1 4.37Å; L527-K529 PolarHBondContact O-N 3.24Å; L527-S530 PolarHBondContact O-N 3.15Å; L527-S530 PolarHBondContact O-OG 3.38Å |
| 528 | V | 38.1 | Very low | 34 | Very low | 15 Ų | 15 | 73.5 Ų | 73.5 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -43.5 | -36.4 | 171.9 | 160.2 | 0 | 0 | 0 | 0 | 114.1 | K393 I524 H526 S530 A531 E532 | K393-V528 HydrophobicContact CD-CB 4.46Å; K393-V528 HydrophobicContact CD-CG1 3.98Å; K393-V528 HydrophobicContact CD-CG2 3.72Å; K393-V528 HydrophobicContact CG-CG2 4.37Å; K393-V528 VanDerWaalsContact NZ-CG1 3.26Å; I524-V528 WeakPolarHBondContact O-CG2 3.28Å; H526-V528 PolarHBondContact O-N 2.81Å; V528-S530 VanDerWaalsContact C-N 3.28Å; V528-S530 PolarHBondContact O-N 3.39Å; V528-A531 PolarHBondContact O-N 2.69Å; V528-E532 HydrophobicContact CG1-CG 4.36Å; V528-E532 WeakPolarHBondContact O-CG 3.17Å; V528-E532 PolarHBondContact O-N 3.37Å; V528-E532 VanDerWaalsContact O-N 3.12Å |
| 529 | K | 37.3 | Very low | 34.3 | Very low | 89 Ų | 89 | 75 Ų | 75 | 39% | 0.387 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.7 | -28.2 | -175.1 | -157.6 | -179.4 | 176.8 | -156 | 0 | 112.1 | H526 L527 L533 E716 | H526-K529 VanDerWaalsContact O-CB 3.29Å; H526-K529 WeakPolarHBondContact O-CB 3.29Å; H526-K529 PolarHBondContact O-N 3.04Å; L527-K529 PolarHBondContact O-N 3.24Å; K529-L533 WeakPolarHBondContact O-CB 3.31Å; K529-L533 WeakPolarHBondContact O-CD1 3.33Å; K529-L533 VanDerWaalsContact O-CG 3.29Å; K529-L533 WeakPolarHBondContact O-CG 3.41Å; K529-L533 PolarHBondContact O-N 3.01Å; K529-L533 VanDerWaalsContact O-N 3.09Å; K529-E716 IonicContact NZ-OE1 3.71Å; K529-E716 PolarHBondContact NZ-OE1 3.25Å |
| 530 | S | 33.6 | Very low | 34.4 | Very low | 14 Ų | 14 | 75 Ų | 75 | 10% | 0.098 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -73.1 | -46.7 | 177.3 | 77.9 | 0 | 0 | 0 | 0 | 111.3 | E448 L527 V528 E532 L533 F534 | E448-S530 VanDerWaalsContact OE1-CB 3.22Å; E448-S530 WeakPolarHBondContact OE1-CB 3.32Å; E448-S530 PolarHBondContact OE1-OG 2.81Å; L527-S530 PolarHBondContact O-N 3.15Å; L527-S530 PolarHBondContact O-OG 3.38Å; V528-S530 VanDerWaalsContact C-N 3.28Å; V528-S530 PolarHBondContact O-N 3.39Å; S530-E532 VanDerWaalsContact C-N 3.35Å; S530-E532 PolarHBondContact O-N 2.98Å; S530-L533 PolarHBondContact O-N 3.4Å; S530-F534 WeakPolarHBondContact O-CB 3.16Å; S530-F534 PolarHBondContact O-N 3.28Å |
| 531 | A | 32.8 | Very low | 34.1 | Very low | 33 Ų | 33 | 73.8 Ų | 73.8 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | V528 F534 L535 | V528-A531 PolarHBondContact O-N 2.69Å; A531-F534 PolarHBondContact O-N 2.93Å; A531-L535 PolarHBondContact O-N 3.27Å; A531-L535 VanDerWaalsContact O-N 3.11Å |
| 532 | E | 34.7 | Very low | 33.9 | Very low | 71 Ų | 71 | 74.5 Ų | 74.5 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 174.7 | -73.7 | 178.2 | 173.3 | 0 | 0 | 112 | P389 S390 V528 S530 S536 | P389-E532 HydrophobicContact CB-CG 3.78Å; S390-E532 PolarHBondContact OG-OE1 3.33Å; V528-E532 HydrophobicContact CG1-CG 4.36Å; V528-E532 WeakPolarHBondContact O-CG 3.17Å; V528-E532 PolarHBondContact O-N 3.37Å; V528-E532 VanDerWaalsContact O-N 3.12Å; S530-E532 VanDerWaalsContact C-N 3.35Å; S530-E532 PolarHBondContact O-N 2.98Å; E532-S536 WeakPolarHBondContact O-CB 3.24Å; E532-S536 PolarHBondContact O-N 2.87Å |
| 533 | L | 38.3 | Very low | 33.4 | Very low | 72 Ų | 72 | 71.9 Ų | 71.9 | 38% | 0.377 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 172 | -79.4 | 167 | 0 | 0 | 0 | 112.3 | K529 S530 S536 L537 | K529-L533 WeakPolarHBondContact O-CB 3.31Å; K529-L533 WeakPolarHBondContact O-CD1 3.33Å; K529-L533 VanDerWaalsContact O-CG 3.29Å; K529-L533 WeakPolarHBondContact O-CG 3.41Å; K529-L533 PolarHBondContact O-N 3.01Å; K529-L533 VanDerWaalsContact O-N 3.09Å; S530-L533 PolarHBondContact O-N 3.4Å; L533-S536 WeakPolarHBondContact O-CB 3.44Å; L533-S536 PolarHBondContact O-N 3.4Å; L533-L537 WeakPolarHBondContact O-CB 3.06Å; L533-L537 PolarHBondContact O-N 3.23Å |
| 534 | F | 35.5 | Very low | 33.1 | Very low | 47 Ų | 47 | 74.8 Ų | 74.8 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61 | -52 | -178 | -175.9 | -83.6 | 0 | 0 | 0 | 112.4 | H446 S530 A531 S536 L537 A538 A680 | H446-F534 HydrophobicContact CB-CE1 4.11Å; H446-F534 HydrophobicContact CB-CE2 4.12Å; H446-F534 HydrophobicContact CB-CZ 3.52Å; H446-F534 AromaticContact CD2-CZ 3.88Å; S530-F534 WeakPolarHBondContact O-CB 3.16Å; S530-F534 PolarHBondContact O-N 3.28Å; A531-F534 PolarHBondContact O-N 2.93Å; F534-S536 VanDerWaalsContact C-N 3.27Å; F534-S536 PolarHBondContact O-N 3.13Å; F534-L537 PolarHBondContact O-N 2.71Å; F534-A538 WeakPolarHBondContact O-CB 3.07Å; F534-A538 PolarHBondContact O-N 2.92Å; F534-A680 HydrophobicContact CE2-CB 3.29Å; F534-A680 HydrophobicContact CZ-CB 3.31Å |
| 535 | L | 36.7 | Very low | 32.6 | Very low | 41 Ų | 41 | 80.8 Ų | 80.8 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -68.3 | -28.1 | 177.7 | -74.2 | 166.8 | 0 | 0 | 0 | 111.9 | P389 I392 A531 N539 | P389-L535 HydrophobicContact CB-CD1 3.82Å; P389-L535 HydrophobicContact CG-CB 3.84Å; P389-L535 HydrophobicContact CG-CD1 3.75Å; P389-L535 HydrophobicContact CG-CG 4.45Å; I392-L535 HydrophobicContact CD1-CD1 4.01Å; A531-L535 PolarHBondContact O-N 3.27Å; A531-L535 VanDerWaalsContact O-N 3.11Å; L535-N539 PolarHBondContact O-N 3.3Å; L535-N539 PolarHBondContact O-ND2 3.11Å |
| 536 | S | 38.2 | Very low | 32.2 | Very low | 71 Ų | 71 | 86.1 Ų | 86.1 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -53 | 170 | -171 | 0 | 0 | 0 | 0 | 111.4 | E532 L533 F534 A538 N539 T540 | E532-S536 WeakPolarHBondContact O-CB 3.24Å; E532-S536 PolarHBondContact O-N 2.87Å; L533-S536 WeakPolarHBondContact O-CB 3.44Å; L533-S536 PolarHBondContact O-N 3.4Å; F534-S536 VanDerWaalsContact C-N 3.27Å; F534-S536 PolarHBondContact O-N 3.13Å; S536-A538 PolarHBondContact O-N 2.98Å; S536-N539 PolarHBondContact O-N 3.25Å; S536-N539 VanDerWaalsContact O-N 3.15Å; S536-T540 PolarHBondContact O-N 2.76Å |
| 537 | L | 32.5 | Very low | 32 | Very low | 70 Ų | 70 | 89.2 Ų | 89.2 | 37% | 0.366 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.2 | -47 | 178.1 | -92.8 | 144.3 | 0 | 0 | 0 | 112.5 | L533 F534 N539 T540 S541 | L533-L537 WeakPolarHBondContact O-CB 3.06Å; L533-L537 PolarHBondContact O-N 3.23Å; F534-L537 PolarHBondContact O-N 2.71Å; L537-N539 PolarHBondContact O-N 3.39Å; L537-T540 PolarHBondContact O-N 3.4Å; L537-T540 PolarHBondContact O-OG1 3.01Å; L537-S541 PolarHBondContact O-N 3.13Å |
| 538 | A | 32.6 | Very low | 31.7 | Very low | 58 Ų | 58 | 91.7 Ų | 91.7 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -28.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | F534 S536 | F534-A538 WeakPolarHBondContact O-CB 3.07Å; F534-A538 PolarHBondContact O-N 2.92Å; S536-A538 PolarHBondContact O-N 2.98Å |
| 539 | N | 31.9 | Very low | 31.1 | Very low | 131 Ų | 131 | 101.2 Ų | 101.2 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -83.6 | -19.6 | 174.7 | -76.4 | -62.2 | 0 | 0 | 0 | 113.3 | L535 S536 L537 | L535-N539 PolarHBondContact O-N 3.3Å; L535-N539 PolarHBondContact O-ND2 3.11Å; S536-N539 PolarHBondContact O-N 3.25Å; S536-N539 VanDerWaalsContact O-N 3.15Å; L537-N539 PolarHBondContact O-N 3.39Å |
| 540 | T | 32.6 | Very low | 30.6 | Very low | 88 Ų | 88 | 102.7 Ų | 102.7 | 54% | 0.54 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -86.9 | -25.1 | 179.8 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | S536 L537 S542 | S536-T540 PolarHBondContact O-N 2.76Å; L537-T540 PolarHBondContact O-N 3.4Å; L537-T540 PolarHBondContact O-OG1 3.01Å; T540-S542 PolarHBondContact O-N 2.94Å |
| 541 | S | 29.1 | Very low | 30.1 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 43% | 0.427 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | 29.1 | -171.4 | 73.4 | 0 | 0 | 0 | 0 | 115.4 | L537 Q679 | L537-S541 PolarHBondContact O-N 3.13Å; S541-Q679 PolarHBondContact OG-NE2 2.9Å |
| 542 | S | 27.7 | Very low | 29.8 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 3.3 | 175.2 | -168 | 0 | 0 | 0 | 0 | 113.1 | T540 | T540-S542 PolarHBondContact O-N 2.94Š|
| 543 | C | 24.2 | Very low | 29.3 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -129 | 143.6 | -179.4 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 544 | N | 24.4 | Very low | 28.5 | Very low | 158 Ų | 158 | 123 Ų | 123 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | trans | 63.8 | 98.4 | 174.8 | -63.6 | -9.6 | 0 | 0 | 0 | 117.4 | ||||
| 545 | D | 25 | Very low | 28.1 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | trans | -140.4 | 68.1 | 142 | -134.2 | -17.9 | 0 | 0 | 0 | 110.9 | ||||
| 546 | K | 23.7 | Very low | 27.5 | Very low | 200 Ų | 200 | 131.4 Ų | 131.4 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | trans | -144.8 | 68.2 | 170.1 | -84 | -163.5 | 177.8 | -178.6 | 0 | 110.7 | ||||
| 547 | F | 28 | Very low | 27.1 | Very low | 209 Ų | 209 | 133.9 Ų | 133.9 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | trans | -136.8 | 114.3 | 154.5 | -107.4 | -77.4 | 0 | 0 | 0 | 110.7 | ||||
| 548 | S | 28.7 | Very low | 26.6 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -68.7 | 148.8 | -174.8 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | S550 | S548-S550 PolarHBondContact O-N 3.38Š| ||
| 549 | K | 24.8 | Very low | 26.5 | Very low | 214 Ų | 214 | 141.1 Ų | 141.1 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -55.2 | 126.1 | 168.7 | -63.9 | 169.5 | -179.8 | 171.2 | 0 | 110.5 | ||||
| 550 | S | 27.8 | Very low | 26.3 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -110.1 | 146.9 | 149 | 63.7 | 0 | 0 | 0 | 0 | 108.9 | S548 | S548-S550 PolarHBondContact O-N 3.38Š| ||
| 551 | R | 22.7 | Very low | 26.1 | Very low | 214 Ų | 214 | 143.7 Ų | 143.7 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -131.3 | 102.7 | -169.1 | 174.6 | -168.1 | 177 | -176.3 | -0.3 | 109.4 | ||||
| 552 | C | 25.9 | Very low | 26 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -123.3 | 102.6 | 158.9 | -60.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 553 | Q | 26.2 | Very low | 26 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | 53 | 110.1 | 81.5 | -75.9 | -173.2 | -44.3 | 0 | 0 | 112.7 | |||||
| 554 | S | 21.1 | Very low | 26.2 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -80.7 | 132.9 | 168.5 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 555 | T | 27.4 | Very low | 26.4 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -126.5 | 128.2 | 156.3 | 47.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 556 | T | 22.3 | Very low | 26.5 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -86.1 | -171.2 | 175.1 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 557 | T | 29.8 | Very low | 26.6 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 82.2 | 143.8 | 178.8 | 74.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 558 | D | 23.7 | Very low | 26.5 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | cis | -171.3 | 162.5 | -43.4 | -106.8 | -36.6 | 0 | 0 | 0 | 110 | ||||
| 559 | N | 28.9 | Very low | 26.5 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | 66.7 | 166.6 | 165.4 | -53.8 | -39.2 | 0 | 0 | 0 | 116.1 | ||||
| 560 | S | 28.1 | Very low | 26.4 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -175.6 | 152.3 | -19.8 | 48.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 561 | E | 28.1 | Very low | 26.2 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | cis | -162 | 165 | -9.2 | -118.4 | -158.2 | 101.1 | 0 | 0 | 113.2 | ||||
| 562 | V | 27.4 | Very low | 26.4 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | 15.4 | 131.7 | 148.5 | 176.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 563 | G | 28.8 | Very low | 26.4 | Very low | 63 Ų | 63 | 143.6 Ų | 143.6 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | 109.6 | 156.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 564 | T | 26.7 | Very low | 26.3 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | cis | -175.2 | 147.8 | -37.5 | 10.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 565 | T | 28.7 | Very low | 26.5 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | 64.4 | 161.9 | 165.8 | 62.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 566 | Q | 26.8 | Very low | 26.4 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | cis | -167 | 145.4 | -44.7 | -113.5 | -171.7 | 15.7 | 0 | 0 | 110.4 | ||||
| 567 | L | 27 | Very low | 26.3 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | 64.1 | 150.4 | 150.4 | -63.8 | 172.2 | 0 | 0 | 0 | 119.4 | ||||
| 568 | K | 25.1 | Very low | 26 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | -164.2 | 171.8 | -13.6 | -141.1 | -179 | -170 | 179.7 | 0 | 111.2 | ||||
| 569 | N | 28.6 | Very low | 25.9 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | 76 | 145.3 | 162.5 | -57.8 | -3.4 | 0 | 0 | 0 | 118.9 | ||||
| 570 | E | 23.9 | Very low | 25.5 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | cis | -165.7 | 162.3 | -30.1 | -150.6 | -174.4 | -123.9 | 0 | 0 | 111.9 | ||||
| 571 | K | 23.2 | Very low | 25.7 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | 78.7 | 95.1 | 161 | -58.4 | -180 | -174.3 | 177.1 | 0 | 121.7 | ||||
| 572 | R | 26.1 | Very low | 25.5 | Very low | 240 Ų | 240 | 140.3 Ų | 140.3 | 91% | 0.906 | 74% | 0.741 | S | S | * | * | -172.8 | 152.3 | 123.4 | -109.7 | 179.1 | 176.1 | -161.3 | -1.2 | 112.1 | |||||
| 573 | Q | 27.2 | Very low | 25.1 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | trans | 64.7 | 128.6 | 175.3 | -69.5 | 167 | -19.4 | 0 | 0 | 114.3 | ||||
| 574 | K | 23.8 | Very low | 24.9 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | 83 | 137.8 | 63 | -89.6 | -165 | 172.8 | -170.7 | 0 | 113.4 | |||||
| 575 | S | 24.4 | Very low | 24.7 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 63.7 | 129.1 | -166.8 | 11.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 576 | S | 25.4 | Very low | 24.4 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | cis | 86.3 | 123.1 | 40.8 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 577 | I | 21.5 | Very low | 24.2 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 92% | 0.923 | 75% | 0.745 | S | S | * | * | trans | -95.5 | 118.9 | -174.2 | -64.6 | 167.6 | 0 | 0 | 0 | 109.5 | ||||
| 578 | S | 22.9 | Very low | 24.1 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -160.7 | 114.9 | 176.5 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 579 | Y | 21.5 | Very low | 24.1 | Very low | 135 Ų | 135 | 144 Ų | 144 | 53% | 0.529 | 75% | 0.753 | S | S | . | * | 48.8 | 98.7 | 112.8 | -85.9 | -139 | 0 | 0 | 0 | 119.5 | S736 G737 C738 | Y579-S736 VanDerWaalsContact CB-CB 3.47Å; Y579-S736 VanDerWaalsContact CB-OG 3.22Å; Y579-S736 WeakPolarHBondContact CB-OG 3.21Å; Y579-S736 WeakPolarHBondContact CD1-O 3.43Å; Y579-S736 WeakPolarHBondContact CD1-OG 3.43Å; Y579-S736 WeakPolarHBondContact CE1-O 3.18Å; Y579-S736 VanDerWaalsContact CG-CB 3.44Å; Y579-G737 VanDerWaalsContact CZ-C 3.46Å; Y579-G737 PolarHBondContact OH-O 3.32Å; Y579-C738 VanDerWaalsContact CE2-O 3.28Å; Y579-C738 WeakPolarHBondContact CE2-O 2.95Å | |||
| 580 | C | 21.5 | Very low | 23.9 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 53% | 0.534 | 75% | 0.753 | S | S | . | * | trans | 57.5 | -170.7 | 158 | -96.3 | 0 | 0 | 0 | 0 | 118.9 | S736 | C580-S736 VanDerWaalsContact CB-CB 3.42Å; C580-S736 WeakPolarHBondContact CB-OG 3.4Å; C580-S736 WeakPolarHBondContact SG-CB 3.27Å; C580-S736 PolarHBondContact SG-N 3.29Å | ||
| 581 | P | 30.3 | Very low | 23.9 | Very low | 79 Ų | 79 | 145 Ų | 145 | 51% | 0.513 | 75% | 0.751 | S | S | . | * | cis | -128 | 178 | -47.1 | 35.2 | -21.9 | 0 | 0 | 0 | 111.6 | N734 | P581-N734 HydrophobicContact CB-CB 4.38Š| ||
| 582 | I | 24 | Very low | 24 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -135.4 | 113.9 | 145.4 | -58.2 | -177.8 | 0 | 0 | 0 | 110.3 | ||||
| 583 | E | 20.6 | Very low | 23.8 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 56% | 0.556 | 75% | 0.747 | S | S | * | * | trans | -139.6 | 88 | 153.1 | -169.8 | -177.9 | -131.4 | 0 | 0 | 107.6 | T733 N734 | E583-T733 WeakPolarHBondContact OE2-CB 3.26Å; E583-T733 WeakPolarHBondContact OE2-CG2 3.39Å; E583-T733 PolarHBondContact OE2-OG1 2.6Å; E583-N734 WeakPolarHBondContact CB-ND2 3.41Å | ||
| 584 | K | 23 | Very low | 23.7 | Very low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | 172.5 | 118.2 | 157.1 | -102.8 | 169.1 | -174.9 | -180 | 0 | 110.3 | ||||
| 585 | L | 23 | Very low | 23.6 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | -147.3 | 64.8 | 151 | -132.3 | 172 | 0 | 0 | 0 | 109.6 | ||||
| 586 | C | 22.2 | Very low | 23.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -84.2 | 123.3 | 160.8 | -85.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 587 | N | 24 | Very low | 23.7 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 72.3 | 104.9 | 153.1 | -63.2 | -3.1 | 0 | 0 | 0 | 120.4 | ||
| 588 | V | 23.8 | Very low | 23.8 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | 75.1 | 114.1 | 129 | -176 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 589 | S | 25.1 | Very low | 23.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | trans | -128.7 | 153.7 | 139.7 | -74.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 590 | K | 25.2 | Very low | 24.2 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -89 | 153 | -163.5 | -76.7 | 172.8 | 148.1 | -122.1 | 0 | 114.4 | ||||
| 591 | E | 22.5 | Very low | 24.3 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | 37.9 | 111.6 | 134.1 | -54.9 | 167.3 | 103.5 | 0 | 0 | 117.9 | ||||
| 592 | V | 25.1 | Very low | 24.3 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -112.3 | 130.6 | 144.1 | 175.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 593 | I | 22.7 | Very low | 24.2 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -79.3 | 136.4 | -174.1 | -63.4 | 159.3 | 0 | 0 | 0 | 110.2 | ||||
| 594 | F | 24.6 | Very low | 24.3 | Very low | 210 Ų | 210 | 137.9 Ų | 137.9 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -129.1 | 136.9 | 144.2 | -120.8 | -82.6 | 0 | 0 | 0 | 109.2 | ||||
| 595 | S | 22.7 | Very low | 24.5 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -106.7 | 133.8 | -170.1 | 47.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 596 | G | 25.4 | Very low | 24.6 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 177.2 | 123.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 597 | H | 25.5 | Very low | 24.5 | Very low | 202 Ų | 202 | 136 Ų | 136 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -42.1 | 152.3 | 166.2 | -52.6 | 72.6 | 0 | 0 | 0 | 114 | ||||
| 598 | G | 23.9 | Very low | 24.6 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | cis | 170.9 | -176.6 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 599 | D | 25.9 | Very low | 24.6 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 70.5 | 142.1 | 166.7 | -56.9 | -25.5 | 0 | 0 | 0 | 122 | ||||
| 600 | S | 26.6 | Very low | 24.6 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | 57.5 | 114.4 | 170.5 | 52.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 601 | V | 23.3 | Very low | 24.6 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | cis | 62.3 | 123.4 | 19 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 602 | P | 30.3 | Very low | 24.8 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | cis | -142.5 | 164.8 | 5.5 | 43.7 | -25 | 0 | 0 | 0 | 119.7 | ||||
| 603 | T | 22 | Very low | 24.8 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 56.9 | 129.8 | 135 | 57.7 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 604 | I | 24.5 | Very low | 24.9 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | 93.5 | 141 | 127.4 | -71.4 | 166.2 | 0 | 0 | 0 | 120.5 | |||||
| 605 | D | 25.3 | Very low | 25 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -68.4 | 164.2 | -172.4 | -41.9 | -79.5 | 0 | 0 | 0 | 115.6 | ||||
| 606 | P | 26.3 | Very low | 25.2 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -129.7 | 109.9 | 152.4 | 34.8 | -20.3 | 0 | 0 | 0 | 113.5 | ||||
| 607 | L | 20.4 | Very low | 25.4 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | trans | -95.4 | 92.1 | 141.7 | -89.5 | 177.4 | 0 | 0 | 0 | 107.9 | ||||
| 608 | T | 25 | Very low | 25.6 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -155.9 | 120.3 | 164.6 | -11.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 609 | S | 25.2 | Very low | 25.9 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 11.6 | 113.1 | 155.1 | 57.9 | 0 | 0 | 0 | 0 | 119.5 | N611 | S609-N611 PolarHBondContact O-N 2.92Š| ||
| 610 | L | 25 | Very low | 26 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -82.1 | 105.6 | 150.3 | -120.3 | 173.3 | 0 | 0 | 0 | 108.9 | R612 | L610-R612 HydrophobicContact CD2-CB 4.5Š| ||
| 611 | N | 24.4 | Very low | 26.4 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -140.8 | 114.9 | 167 | -147.1 | 1.4 | 0 | 0 | 0 | 106.5 | S609 | S609-N611 PolarHBondContact O-N 2.92Š| ||
| 612 | R | 27.3 | Very low | 27 | Very low | 233 Ų | 233 | 138 Ų | 138 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | -136.4 | 106.1 | -166.7 | -160.1 | -176.4 | -161.7 | -145.3 | 4.4 | 114.1 | L610 | L610-R612 HydrophobicContact CD2-CB 4.5Š| ||
| 613 | S | 24.9 | Very low | 27.3 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -153.8 | 145.1 | 142.3 | 49.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 614 | N | 25.3 | Very low | 28 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | cis | -151.6 | 176.8 | 22.4 | -128.8 | -8.6 | 0 | 0 | 0 | 112.9 | ||||
| 615 | N | 26 | Very low | 28.6 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | 84.2 | 113.6 | 148.6 | -73.8 | 8.8 | 0 | 0 | 0 | 123.2 | ||||
| 616 | F | 27 | Very low | 29.2 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 77% | 0.768 | 76% | 0.762 | S | S | * | * | 94.4 | 135.1 | 128.9 | -78.4 | -54.6 | 0 | 0 | 0 | 123.1 | |||||
| 617 | N | 30 | Very low | 29.6 | Very low | 128 Ų | 128 | 144 Ų | 144 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | trans | 74.9 | 109.9 | 162.1 | -59 | 2.4 | 0 | 0 | 0 | 115.3 | ||||
| 618 | N | 28.2 | Very low | 30.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | 79.9 | 138.9 | 82.2 | -77.1 | 37.8 | 0 | 0 | 0 | 111.4 | |||||
| 619 | E | 30.1 | Very low | 30.8 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -152.5 | 142.8 | -3.5 | -102.6 | 152 | 140.6 | 0 | 0 | 105.4 | ||||
| 620 | S | 29.7 | Very low | 31.2 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | 38.8 | 154.7 | 102.7 | 64.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 621 | I | 34.4 | Very low | 31.6 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 67% | 0.672 | 76% | 0.763 | S | S | * | * | cis | -141.3 | -164.9 | 27.8 | -56 | 161.6 | 0 | 0 | 0 | 109.6 | ||||
| 622 | D | 35.5 | Very low | 32 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 87.6 | 113.3 | 172.3 | -41.8 | -11.1 | 0 | 0 | 0 | 112.6 | ||||
| 623 | D | 37.1 | Very low | 32.2 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | cis | -136.8 | 162.8 | -4.8 | -43 | -75.1 | 0 | 0 | 0 | 107.6 | ||||
| 624 | D | 35.7 | Very low | 32.3 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | cis | 77.9 | 133.3 | 22 | -54.7 | -73.3 | 0 | 0 | 0 | 115 | ||||
| 625 | D | 38 | Very low | 32.4 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | cis | -81.1 | -148 | -6.4 | -50.5 | -82.9 | 0 | 0 | 0 | 113.1 | ||||
| 626 | D | 37.9 | Very low | 32.4 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | cis | -158.3 | 168.5 | 8.8 | -166.9 | 6 | 0 | 0 | 0 | 109.8 | ||||
| 627 | D | 34.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -136.8 | 170.3 | -149.4 | -122.6 | -26 | 0 | 0 | 0 | 121.9 | ||||
| 628 | D | 35.8 | Very low | 32 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | 93.2 | 125.5 | 143.1 | -113.9 | 7.2 | 0 | 0 | 0 | 126.4 | ||||
| 629 | N | 34.8 | Very low | 31.8 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 95.2 | 78 | 159.9 | -57.8 | -90.7 | 0 | 0 | 0 | 123 | ||||
| 630 | D | 32.9 | Very low | 31.5 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | 35.4 | 125.4 | 118.7 | -55.7 | -5.9 | 0 | 0 | 0 | 123.9 | |||||
| 631 | D | 34.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | -154.4 | 135.8 | 129.3 | -129 | -17.6 | 0 | 0 | 0 | 108.3 | |||||
| 632 | D | 31.9 | Very low | 30.6 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -79 | 138.8 | -164.6 | -75.8 | -62.9 | 0 | 0 | 0 | 116.1 | ||||
| 633 | D | 31.2 | Very low | 30.1 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | -164.6 | 131 | 117.7 | -129.7 | -19.4 | 0 | 0 | 0 | 111.8 | |||||
| 634 | D | 27.7 | Very low | 29.3 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | trans | -112.7 | 135.9 | -174.1 | 175 | 32.1 | 0 | 0 | 0 | 112.1 | N636 | D634-N636 PolarHBondContact OD1-ND2 3.27Š| ||
| 635 | L | 28 | Very low | 28.8 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | -173.9 | 104.7 | 124.7 | -117 | 80.7 | 0 | 0 | 0 | 114 | |||||
| 636 | N | 24.8 | Very low | 28.1 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 50% | 0.503 | 74% | 0.735 | S | S | . | * | 53.5 | 127.1 | 124.1 | -84.8 | -103.2 | 0 | 0 | 0 | 123.2 | D634 | D634-N636 PolarHBondContact OD1-ND2 3.27Š| |||
| 637 | K | 25.1 | Very low | 27.3 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 70% | 0.7 | 72% | 0.722 | S | S | * | * | trans | 82.4 | 99.8 | 137.7 | -67.4 | 175.9 | 176.7 | 100.6 | 0 | 120.9 | L639 | K637-L639 PolarHBondContact O-N 3.12Š| ||
| 638 | T | 25.1 | Very low | 26.8 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | 23.4 | 96.8 | 116.8 | 58.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 639 | L | 22.8 | Very low | 26.1 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -153.5 | 118.2 | 155 | -109.2 | 158.5 | 0 | 0 | 0 | 111 | K637 | K637-L639 PolarHBondContact O-N 3.12Š| ||
| 640 | N | 24.2 | Very low | 25.7 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 47% | 0.465 | 72% | 0.72 | S | S | . | * | trans | 51.9 | 104.7 | 152.4 | -64.3 | 0.5 | 0 | 0 | 0 | 120.4 | E642 R647 | N640-E642 HydrophobicContact CB-CB 3.98Å; N640-E642 HydrophobicContact CB-CG 3.82Å; N640-E642 PolarHBondContact ND2-OE2 3.45Å; N640-E642 PolarHBondContact O-N 3.26Å; N640-R647 PolarHBondContact ND2-NH2 2.95Å; N640-R647 VanDerWaalsContact ND2-NH2 3.16Å | ||
| 641 | N | 23.8 | Very low | 25.3 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 93% | 0.925 | 71% | 0.71 | S | S | * | * | trans | -64.5 | 66.9 | 141.1 | -79.6 | -45.7 | 0 | 0 | 0 | 110.3 | W643 | N641-W643 PolarHBondContact O-N 3.21Š| ||
| 642 | E | 22.3 | Very low | 24.8 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 46% | 0.458 | 70% | 0.695 | S | S | . | * | trans | -91.4 | 102.6 | 174.5 | -94 | 177.6 | 151.5 | 0 | 0 | 111.7 | N640 V644 R647 | N640-E642 HydrophobicContact CB-CB 3.98Å; N640-E642 HydrophobicContact CB-CG 3.82Å; N640-E642 PolarHBondContact ND2-OE2 3.45Å; N640-E642 PolarHBondContact O-N 3.26Å; E642-V644 PolarHBondContact O-N 2.82Å; E642-R647 IonicContact OE1-CZ 3.95Å; E642-R647 IonicContact OE1-NE 2.67Å; E642-R647 PolarHBondContact OE1-NE 2.96Å; E642-R647 IonicContact OE1-NH2 3.45Å; E642-R647 PolarHBondContact OE1-NH2 3.46Å; E642-R647 IonicContact OE2-CZ 3.32Å; E642-R647 IonicContact OE2-NE 2.63Å; E642-R647 IonicContact OE2-NH2 2.67Å; E642-R647 PolarHBondContact OE2-NH2 3.3Å | ||
| 643 | W | 23.3 | Very low | 24.4 | Very low | 214 Ų | 214 | 129.6 Ų | 129.6 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | trans | -42.6 | 130.3 | 137.5 | -66.2 | 73.1 | 0 | 0 | 0 | 108.6 | N641 V645 | N641-W643 PolarHBondContact O-N 3.21Å; W643-V645 HydrophobicContact CB-CG2 4.08Å; W643-V645 PolarHBondContact O-N 3.28Å | ||
| 644 | V | 21.6 | Very low | 24.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | trans | -75.6 | 64.6 | 165.4 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | E642 I646 Y1463 | E642-V644 PolarHBondContact O-N 2.82Å; V644-I646 PolarHBondContact O-N 2.82Å; V644-Y1463 HydrophobicContact CB-CE1 4.37Å | ||
| 645 | V | 23.8 | Very low | 24.1 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 60% | 0.6 | 67% | 0.668 | S | S | * | * | trans | -51.2 | 132.7 | 144.7 | 178.9 | 0 | 0 | 0 | 0 | 105.6 | W643 R647 | W643-V645 HydrophobicContact CB-CG2 4.08Å; W643-V645 PolarHBondContact O-N 3.28Å; V645-R647 PolarHBondContact O-N 3.26Å | ||
| 646 | I | 23.5 | Very low | 24 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 76% | 0.764 | 67% | 0.668 | S | S | * | * | trans | -60.2 | 98.7 | 165.5 | -63.2 | 173.2 | 0 | 0 | 0 | 105.4 | V644 S648 | V644-I646 PolarHBondContact O-N 2.82Å; I646-S648 PolarHBondContact O-N 2.83Å | ||
| 647 | R | 20.8 | Very low | 24.2 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 59% | 0.589 | 67% | 0.673 | S | S | * | * | trans | -52.6 | 106 | -174.1 | -92.9 | -174.7 | 172.1 | -179.4 | 1.4 | 107.9 | N640 E642 V645 T649 | N640-R647 PolarHBondContact ND2-NH2 2.95Å; N640-R647 VanDerWaalsContact ND2-NH2 3.16Å; E642-R647 IonicContact OE1-CZ 3.95Å; E642-R647 IonicContact OE1-NE 2.67Å; E642-R647 PolarHBondContact OE1-NE 2.96Å; E642-R647 IonicContact OE1-NH2 3.45Å; E642-R647 PolarHBondContact OE1-NH2 3.46Å; E642-R647 IonicContact OE2-CZ 3.32Å; E642-R647 IonicContact OE2-NE 2.63Å; E642-R647 IonicContact OE2-NH2 2.67Å; E642-R647 PolarHBondContact OE2-NH2 3.3Å; V645-R647 PolarHBondContact O-N 3.26Å; R647-T649 PolarHBondContact O-N 2.82Å | ||
| 648 | S | 23.9 | Very low | 24.3 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -66.7 | 85 | 159.2 | -58 | 0 | 0 | 0 | 0 | 105.9 | I646 | I646-S648 PolarHBondContact O-N 2.83Š| ||
| 649 | T | 22.9 | Very low | 24.6 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 55% | 0.546 | 66% | 0.664 | S | S | . | * | trans | -47.1 | 142.6 | 156.5 | 45.4 | 0 | 0 | 0 | 0 | 107.1 | R647 L651 | R647-T649 PolarHBondContact O-N 2.82Å; T649-L651 VanDerWaalsContact C-N 3.26Å; T649-L651 WeakPolarHBondContact O-CG 3.43Å; T649-L651 PolarHBondContact O-N 3.3Å | ||
| 650 | P | 24.6 | Very low | 25.3 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 87% | 0.87 | 64% | 0.641 | S | S | * | * | trans | -64.7 | 90.4 | -173.5 | 25.1 | -33.9 | 0 | 0 | 0 | 109.6 | H652 | P650-H652 PolarHBondContact O-N 2.97Š| ||
| 651 | L | 25.7 | Very low | 26 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | trans | -74.8 | 121.3 | -174.2 | -84.5 | 158.9 | 0 | 0 | 0 | 107.7 | T649 L655 | T649-L651 VanDerWaalsContact C-N 3.26Å; T649-L651 WeakPolarHBondContact O-CG 3.43Å; T649-L651 PolarHBondContact O-N 3.3Å; L651-L655 HydrophobicContact CB-CD1 3.94Å; L651-L655 HydrophobicContact CD1-CD1 3.82Å; L651-L655 HydrophobicContact CD2-CD1 4.13Å; L651-L655 HydrophobicContact CG-CD1 4.17Å | ||
| 652 | H | 23.9 | Very low | 26.7 | Very low | 132 Ų | 132 | 112.9 Ų | 112.9 | 61% | 0.611 | 61% | 0.608 | S | S | * | * | trans | -40.7 | 143.7 | 178.7 | -134.4 | -98.8 | 0 | 0 | 0 | 111.8 | P650 I654 | P650-H652 PolarHBondContact O-N 2.97Å; H652-I654 PolarHBondContact O-N 3.38Å | ||
| 653 | P | 24.2 | Very low | 27.4 | Very low | 89 Ų | 89 | 110.5 Ų | 110.5 | 58% | 0.578 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 58.9 | -175.6 | 31 | -37.8 | 0 | 0 | 0 | 113.3 | ||
| 654 | I | 26.8 | Very low | 28.1 | Very low | 103 Ų | 103 | 102.8 Ų | 102.8 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.5 | -16 | -179.1 | -64.8 | 176.5 | 0 | 0 | 0 | 109.9 | H652 V656 L928 | H652-I654 PolarHBondContact O-N 3.38Å; I654-V656 PolarHBondContact O-N 3.44Å; I654-V656 VanDerWaalsContact O-N 3.11Å; I654-L928 HydrophobicContact CD1-CD2 4.48Å; I654-L928 HydrophobicContact CG1-CD2 4.43Å |
| 655 | L | 24.3 | Very low | 28.9 | Very low | 131 Ų | 131 | 102.3 Ų | 102.3 | 69% | 0.686 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 22 | 176.1 | -65.8 | -175.5 | 0 | 0 | 0 | 115 | L651 | L651-L655 HydrophobicContact CB-CD1 3.94Å; L651-L655 HydrophobicContact CD1-CD1 3.82Å; L651-L655 HydrophobicContact CD2-CD1 4.13Å; L651-L655 HydrophobicContact CG-CD1 4.17Å |
| 656 | V | 26.8 | Very low | 29.8 | Very low | 130 Ų | 130 | 98.9 Ų | 98.9 | 79% | 0.788 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -9.2 | 171.7 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | I654 N658 | I654-V656 PolarHBondContact O-N 3.44Å; I654-V656 VanDerWaalsContact O-N 3.11Å; V656-N658 PolarHBondContact O-N 2.8Å |
| 657 | A | 27.8 | Very low | 30.5 | Very low | 75 Ų | 75 | 95.8 Ų | 95.8 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -74.8 | 114.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N659 | A657-N659 PolarHBondContact O-N 2.99Š|
| 658 | N | 28.2 | Very low | 31.5 | Very low | 159 Ų | 159 | 95.5 Ų | 95.5 | 85% | 0.85 | 53% | 0.529 | S | S | * | . | trans | -53.1 | 123.8 | 178.9 | -72.7 | -50.3 | 0 | 0 | 0 | 113.3 | V656 | V656-N658 PolarHBondContact O-N 2.8Š| ||
| 659 | N | 31.7 | Very low | 32.3 | Very low | 87 Ų | 87 | 92.9 Ų | 92.9 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | trans | -162.3 | 151.9 | 176.7 | -105.1 | -47.1 | 0 | 0 | 0 | 114 | A657 | A657-N659 PolarHBondContact O-N 2.99Š| ||
| 660 | Y | 37.3 | Very low | 33.2 | Very low | 75 Ų | 75 | 89.3 Ų | 89.3 | 29% | 0.294 | 49% | 0.486 | S | S | . | . | trans | 69.1 | 48.6 | 170.4 | -30.9 | -33.1 | 0 | 0 | 0 | 119.6 | E662 I664 N1224 | Y660-E662 PolarHBondContact O-N 3.35Å; Y660-I664 HydrophobicContact CD2-CD1 3.91Å; Y660-I664 HydrophobicContact CD2-CG1 4.44Å; Y660-I664 HydrophobicContact CG-CD1 4.42Å; Y660-I664 VanDerWaalsContact O-CB 3.25Å; Y660-I664 WeakPolarHBondContact O-CB 3.34Å; Y660-I664 PolarHBondContact O-N 3.21Å; Y660-N1224 HydrophobicContact CD1-CB 4.44Å; Y660-N1224 HydrophobicContact CD2-CB 4.5Å; Y660-N1224 HydrophobicContact CE1-CB 4.03Å; Y660-N1224 WeakPolarHBondContact CE1-O 3.33Å; Y660-N1224 HydrophobicContact CE2-CB 4.04Å; Y660-N1224 PolarHBondContact OH-O 2.92Å; Y660-N1224 VanDerWaalsContact OH-O 3.1Å | ||
| 661 | P | 38.4 | Very low | 33.9 | Very low | 72 Ų | 72 | 88.6 Ų | 88.6 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -52.6 | -42.8 | -172.2 | 21.3 | -33.6 | 0 | 0 | 0 | 116 | N665 | P661-N665 WeakPolarHBondContact O-CB 3.44Å; P661-N665 PolarHBondContact O-N 3.42Å; P661-N665 PolarHBondContact O-ND2 2.83Å |
| 662 | E | 38.1 | Very low | 34.9 | Very low | 49 Ų | 49 | 86.9 Ų | 86.9 | 23% | 0.229 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -71.8 | -56.3 | -176.4 | -70.9 | -174.1 | -167.9 | 0 | 0 | 113.3 | A306 Y660 I664 N665 Y666 | A306-E662 WeakPolarHBondContact CB-OE1 3.26Å; Y660-E662 PolarHBondContact O-N 3.35Å; E662-I664 VanDerWaalsContact C-N 3.33Å; E662-I664 PolarHBondContact O-N 2.89Å; E662-N665 CarbonylContact O-C 3.53Å; E662-N665 PolarHBondContact O-N 3.37Å; E662-N665 VanDerWaalsContact O-N 3.15Å; E662-Y666 PolarHBondContact O-N 2.72Å |
| 663 | L | 37.3 | Very low | 36 | Very low | 47 Ų | 47 | 82.2 Ų | 82.2 | 25% | 0.246 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.5 | -34.3 | -178.6 | -173.6 | 62.8 | 0 | 0 | 0 | 111.6 | Y666 I667 | L663-Y666 WeakPolarHBondContact O-CB 3.33Å; L663-Y666 PolarHBondContact O-N 2.94Å; L663-I667 HydrophobicContact CD1-CD1 4.13Å; L663-I667 HydrophobicContact CG-CD1 4.04Å; L663-I667 WeakPolarHBondContact O-CG1 3.43Å; L663-I667 PolarHBondContact O-N 3.23Å |
| 664 | I | 38.2 | Very low | 36.8 | Very low | 52 Ų | 52 | 78.4 Ų | 78.4 | 27% | 0.267 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.6 | -31.9 | 172.4 | -73.6 | -175.5 | 0 | 0 | 0 | 111.7 | Y660 E662 Y666 I667 K668 | Y660-I664 HydrophobicContact CD2-CD1 3.91Å; Y660-I664 HydrophobicContact CD2-CG1 4.44Å; Y660-I664 HydrophobicContact CG-CD1 4.42Å; Y660-I664 VanDerWaalsContact O-CB 3.25Å; Y660-I664 WeakPolarHBondContact O-CB 3.34Å; Y660-I664 PolarHBondContact O-N 3.21Å; E662-I664 VanDerWaalsContact C-N 3.33Å; E662-I664 PolarHBondContact O-N 2.89Å; I664-Y666 VanDerWaalsContact C-N 3.34Å; I664-I667 PolarHBondContact O-N 3.13Å; I664-K668 HydrophobicContact CG2-CB 4.42Å; I664-K668 HydrophobicContact CG2-CD 3.39Å; I664-K668 HydrophobicContact CG2-CG 3.73Å; I664-K668 VanDerWaalsContact O-CB 3.24Å; I664-K668 WeakPolarHBondContact O-CB 2.95Å; I664-K668 PolarHBondContact O-N 3.14Å |
| 665 | N | 39.2 | Very low | 37.7 | Very low | 95 Ų | 95 | 77 Ų | 77 | 51% | 0.508 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.3 | -33.2 | 168.3 | -89.4 | -31.1 | 0 | 0 | 0 | 112.2 | P661 E662 N669 | P661-N665 WeakPolarHBondContact O-CB 3.44Å; P661-N665 PolarHBondContact O-N 3.42Å; P661-N665 PolarHBondContact O-ND2 2.83Å; E662-N665 CarbonylContact O-C 3.53Å; E662-N665 PolarHBondContact O-N 3.37Å; E662-N665 VanDerWaalsContact O-N 3.15Å; N665-N669 WeakPolarHBondContact CA-ND2 3.5Å; N665-N669 WeakPolarHBondContact O-CB 3.19Å; N665-N669 PolarHBondContact O-N 3.19Å; N665-N669 PolarHBondContact O-ND2 2.75Å; N665-N669 PolarHBondContact OD1-ND2 2.88Å |
| 666 | Y | 41.1 | Very low | 38.6 | Very low | 27 Ų | 27 | 78.8 Ų | 78.8 | 11% | 0.106 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.8 | -51.3 | 171.4 | -170.1 | -79.5 | 0 | 0 | 0 | 110.3 | E662 L663 I664 A670 R673 L1155 T1158 D1159 E1457 | E662-Y666 PolarHBondContact O-N 2.72Å; L663-Y666 WeakPolarHBondContact O-CB 3.33Å; L663-Y666 PolarHBondContact O-N 2.94Å; I664-Y666 VanDerWaalsContact C-N 3.34Å; Y666-A670 PolarHBondContact O-N 2.91Å; Y666-A670 VanDerWaalsContact O-N 3.13Å; Y666-R673 PolarHBondContact O-NH1 2.98Å; Y666-R673 PolarHBondContact O-NH2 3.16Å; Y666-L1155 HydrophobicContact CD2-CD2 4.5Å; Y666-T1158 WeakPolarHBondContact OH-CB 3.13Å; Y666-T1158 PolarHBondContact OH-OG1 3.34Å; Y666-T1158 VanDerWaalsContact OH-OG1 3.09Å; Y666-D1159 HydrophobicContact CE2-CB 3.82Å; Y666-D1159 PolarHBondContact OH-N 3.36Å; Y666-E1457 WeakPolarHBondContact CE1-OE2 3.23Å; Y666-E1457 VanDerWaalsContact CZ-OE2 3.25Å; Y666-E1457 PolarHBondContact OH-OE2 3.46Å |
| 667 | I | 38.8 | Very low | 39.6 | Very low | 83 Ų | 83 | 73.5 Ų | 73.5 | 43% | 0.426 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -81.6 | -49.7 | -172.3 | -62.3 | 171.8 | 0 | 0 | 0 | 113.7 | L663 I664 N669 A670 | L663-I667 HydrophobicContact CD1-CD1 4.13Å; L663-I667 HydrophobicContact CG-CD1 4.04Å; L663-I667 WeakPolarHBondContact O-CG1 3.43Å; L663-I667 PolarHBondContact O-N 3.23Å; I664-I667 PolarHBondContact O-N 3.13Å; I667-N669 VanDerWaalsContact C-N 3.31Å; I667-N669 PolarHBondContact O-N 2.84Å; I667-A670 WeakPolarHBondContact O-CB 3.32Å; I667-A670 PolarHBondContact O-N 3.06Å |
| 668 | K | 42.2 | Very low | 40.4 | Very low | 151 Ų | 151 | 73.3 Ų | 73.3 | 66% | 0.657 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.3 | -42.5 | 176.8 | -78.1 | -179.8 | -174.9 | 169.8 | 0 | 111.3 | I664 A670 | I664-K668 HydrophobicContact CG2-CB 4.42Å; I664-K668 HydrophobicContact CG2-CD 3.39Å; I664-K668 HydrophobicContact CG2-CG 3.73Å; I664-K668 VanDerWaalsContact O-CB 3.24Å; I664-K668 WeakPolarHBondContact O-CB 2.95Å; I664-K668 PolarHBondContact O-N 3.14Å; K668-A670 PolarHBondContact O-N 3.42Å |
| 669 | N | 41.6 | Very low | 41.4 | Very low | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -77.9 | -3.2 | 175 | -54.8 | -68.1 | 0 | 0 | 0 | 112.6 | N665 I667 L672 R673 | N665-N669 WeakPolarHBondContact CA-ND2 3.5Å; N665-N669 WeakPolarHBondContact O-CB 3.19Å; N665-N669 PolarHBondContact O-N 3.19Å; N665-N669 PolarHBondContact O-ND2 2.75Å; N665-N669 PolarHBondContact OD1-ND2 2.88Å; I667-N669 VanDerWaalsContact C-N 3.31Å; I667-N669 PolarHBondContact O-N 2.84Å; N669-L672 PolarHBondContact O-N 3.37Å; N669-R673 HydrophobicContact CB-CG 4.42Å; N669-R673 WeakPolarHBondContact O-CA 3.48Å; N669-R673 WeakPolarHBondContact O-CB 3.25Å; N669-R673 WeakPolarHBondContact O-CG 3.38Å; N669-R673 PolarHBondContact O-N 3.47Å; N669-R673 PolarHBondContact O-NH1 3.23Å |
| 670 | A | 40.2 | Very low | 41.9 | Very low | 14 Ų | 14 | 66.2 Ų | 66.2 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -55.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y666 I667 K668 L672 R673 V674 | Y666-A670 PolarHBondContact O-N 2.91Å; Y666-A670 VanDerWaalsContact O-N 3.13Å; I667-A670 WeakPolarHBondContact O-CB 3.32Å; I667-A670 PolarHBondContact O-N 3.06Å; K668-A670 PolarHBondContact O-N 3.42Å; A670-L672 VanDerWaalsContact C-N 3.26Å; A670-L672 PolarHBondContact O-N 2.93Å; A670-R673 PolarHBondContact O-N 3.12Å; A670-V674 VanDerWaalsContact O-CG2 3.24Å; A670-V674 WeakPolarHBondContact O-CG2 3.5Å; A670-V674 PolarHBondContact O-N 3.24Å |
| 671 | N | 40.1 | Very low | 42 | Very low | 119 Ų | 119 | 63.7 Ų | 63.7 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.7 | -38.2 | 174.4 | -70.3 | -21.8 | 0 | 0 | 0 | 112.7 | S675 | N671-S675 WeakPolarHBondContact O-CB 3.2Å; N671-S675 PolarHBondContact O-N 2.82Å |
| 672 | L | 45.7 | Very low | 42.3 | Very low | 81 Ų | 81 | 68 Ų | 68 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -75.7 | -37.4 | -178.6 | -135.9 | 163.4 | 0 | 0 | 0 | 112.5 | N669 A670 R676 | N669-L672 PolarHBondContact O-N 3.37Å; A670-L672 VanDerWaalsContact C-N 3.26Å; A670-L672 PolarHBondContact O-N 2.93Å; L672-R676 HydrophobicContact CD2-CG 4.34Å; L672-R676 WeakPolarHBondContact O-CB 3.5Å; L672-R676 VanDerWaalsContact O-CG 3.3Å; L672-R676 WeakPolarHBondContact O-CG 3.14Å; L672-R676 PolarHBondContact O-N 3.32Å; L672-R676 VanDerWaalsContact O-N 3.15Å |
| 673 | R | 46.8 | Very low | 42.7 | Very low | 35 Ų | 35 | 66.8 Ų | 66.8 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 170.4 | -75.9 | -173.8 | -47.5 | -83.1 | 0.5 | 109.4 | Y666 N669 A670 R677 D1159 E1457 | Y666-R673 PolarHBondContact O-NH1 2.98Å; Y666-R673 PolarHBondContact O-NH2 3.16Å; N669-R673 HydrophobicContact CB-CG 4.42Å; N669-R673 WeakPolarHBondContact O-CA 3.48Å; N669-R673 WeakPolarHBondContact O-CB 3.25Å; N669-R673 WeakPolarHBondContact O-CG 3.38Å; N669-R673 PolarHBondContact O-N 3.47Å; N669-R673 PolarHBondContact O-NH1 3.23Å; A670-R673 PolarHBondContact O-N 3.12Å; R673-R677 WeakPolarHBondContact O-CB 3.28Å; R673-R677 WeakPolarHBondContact O-CD 3.32Å; R673-R677 WeakPolarHBondContact O-CG 3.41Å; R673-R677 PolarHBondContact O-N 3.41Å; R673-D1159 IonicContact CZ-OD1 3.56Å; R673-D1159 IonicContact NE-OD1 2.8Å; R673-D1159 PolarHBondContact NE-OD1 3.48Å; R673-D1159 IonicContact NH2-OD1 3.44Å; R673-E1457 IonicContact NH2-OE1 3.89Å; R673-E1457 PolarHBondContact NH2-OE1 3.18Å |
| 674 | V | 41.7 | Very low | 42.7 | Very low | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.9 | -40.1 | -176.9 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | A670 R676 R677 R678 L1461 E1464 | A670-V674 VanDerWaalsContact O-CG2 3.24Å; A670-V674 WeakPolarHBondContact O-CG2 3.5Å; A670-V674 PolarHBondContact O-N 3.24Å; V674-R676 PolarHBondContact O-N 3.46Å; V674-R677 CarbonylContact O-C 3.54Å; V674-R677 PolarHBondContact O-N 3Å; V674-R677 VanDerWaalsContact O-N 3.14Å; V674-R678 HydrophobicContact CG1-CG 4.26Å; V674-R678 WeakPolarHBondContact O-CB 3.01Å; V674-R678 WeakPolarHBondContact O-CG 3.24Å; V674-R678 PolarHBondContact O-N 2.94Å; V674-L1461 HydrophobicContact CG1-CD2 4.12Å; V674-L1461 HydrophobicContact CG2-CD2 3.65Å; V674-E1464 WeakPolarHBondContact CG1-OE2 3.39Å |
| 675 | S | 45.9 | Very low | 42.7 | Very low | 74 Ų | 74 | 70.4 Ų | 70.4 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.9 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | N671 R677 R678 Q679 | N671-S675 WeakPolarHBondContact O-CB 3.2Å; N671-S675 PolarHBondContact O-N 2.82Å; S675-R677 PolarHBondContact O-N 3.19Å; S675-R678 PolarHBondContact O-N 2.99Å; S675-Q679 PolarHBondContact O-N 2.81Å |
| 676 | R | 44.4 | Very low | 43.1 | Very low | 168 Ų | 168 | 70.2 Ų | 70.2 | 63% | 0.634 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.6 | -42.6 | 171.4 | -74.2 | 176 | 179.1 | 179.8 | 2.3 | 112.1 | L672 V674 Q679 A680 | L672-R676 HydrophobicContact CD2-CG 4.34Å; L672-R676 WeakPolarHBondContact O-CB 3.5Å; L672-R676 VanDerWaalsContact O-CG 3.3Å; L672-R676 WeakPolarHBondContact O-CG 3.14Å; L672-R676 PolarHBondContact O-N 3.32Å; L672-R676 VanDerWaalsContact O-N 3.15Å; V674-R676 PolarHBondContact O-N 3.46Å; R676-Q679 PolarHBondContact O-N 3.22Å; R676-A680 WeakPolarHBondContact O-CB 3.18Å; R676-A680 PolarHBondContact O-N 3.42Å |
| 677 | R | 46.3 | Very low | 43.1 | Very low | 19 Ų | 19 | 72.5 Ų | 72.5 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.1 | -31.6 | 177.1 | -71.7 | 168.3 | -166.3 | 158.8 | -4.9 | 113.4 | H446 R673 V674 S675 A680 C681 A1163 S1166 | H446-R677 VanDerWaalsContact CE1-CG 3.47Å; H446-R677 WeakPolarHBondContact CE1-CG 3.43Å; R673-R677 WeakPolarHBondContact O-CB 3.28Å; R673-R677 WeakPolarHBondContact O-CD 3.32Å; R673-R677 WeakPolarHBondContact O-CG 3.41Å; R673-R677 PolarHBondContact O-N 3.41Å; V674-R677 CarbonylContact O-C 3.54Å; V674-R677 PolarHBondContact O-N 3Å; V674-R677 VanDerWaalsContact O-N 3.14Å; S675-R677 PolarHBondContact O-N 3.19Å; R677-A680 WeakPolarHBondContact O-CB 3.37Å; R677-C681 WeakPolarHBondContact O-CB 3.33Å; R677-C681 PolarHBondContact O-N 3.44Å; R677-C681 PolarHBondContact O-SG 2.83Å; R677-A1163 VanDerWaalsContact NH1-CA 3.34Å; R677-S1166 WeakPolarHBondContact CD-OG 3.36Å; R677-S1166 PolarHBondContact NH1-OG 2.81Å |
| 678 | R | 46.1 | Very low | 42.9 | Very low | 72 Ų | 72 | 74.4 Ų | 74.4 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | 171.9 | -78.1 | 178.1 | 154.6 | -141.4 | -23.7 | 111.2 | V674 S675 C681 K682 E1464 | V674-R678 HydrophobicContact CG1-CG 4.26Å; V674-R678 WeakPolarHBondContact O-CB 3.01Å; V674-R678 WeakPolarHBondContact O-CG 3.24Å; V674-R678 PolarHBondContact O-N 2.94Å; S675-R678 PolarHBondContact O-N 2.99Å; R678-C681 PolarHBondContact O-N 3.43Å; R678-K682 WeakPolarHBondContact O-CB 3.4Å; R678-K682 PolarHBondContact O-N 2.73Å; R678-E1464 WeakPolarHBondContact CD-OE1 3.47Å; R678-E1464 IonicContact CZ-OE1 3.53Å; R678-E1464 IonicContact CZ-OE2 2.82Å; R678-E1464 IonicContact NE-OE1 3.38Å; R678-E1464 PolarHBondContact NE-OE1 3.11Å; R678-E1464 VanDerWaalsContact NE-OE1 3.13Å; R678-E1464 IonicContact NE-OE2 3.56Å; R678-E1464 VanDerWaalsContact NH1-CD 3.3Å; R678-E1464 IonicContact NH1-OE1 3.32Å; R678-E1464 PolarHBondContact NH1-OE1 3.42Å; R678-E1464 PolarHBondContact NH2-O 2.97Å; R678-E1464 IonicContact NH2-OE1 3.22Å |
| 679 | Q | 48.6 | Very low | 42.7 | Very low | 87 Ų | 87 | 73.1 Ų | 73.1 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.3 | -168.2 | -178.1 | 3.3 | 0 | 0 | 112.1 | S541 S675 R676 S683 | S541-Q679 PolarHBondContact OG-NE2 2.9Å; S675-Q679 PolarHBondContact O-N 2.81Å; R676-Q679 PolarHBondContact O-N 3.22Å; Q679-S683 PolarHBondContact O-N 3.34Å; Q679-S683 PolarHBondContact O-OG 2.7Å |
| 680 | A | 40.9 | Very low | 42.3 | Very low | 9 Ų | 9 | 75.4 Ų | 75.4 | 7% | 0.074 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -51.7 | -58.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F534 R676 R677 K682 S683 W684 | F534-A680 HydrophobicContact CE2-CB 3.29Å; F534-A680 HydrophobicContact CZ-CB 3.31Å; R676-A680 WeakPolarHBondContact O-CB 3.18Å; R676-A680 PolarHBondContact O-N 3.42Å; R677-A680 WeakPolarHBondContact O-CB 3.37Å; A680-K682 PolarHBondContact O-N 3.49Å; A680-S683 WeakPolarHBondContact O-CB 3.42Å; A680-S683 PolarHBondContact O-N 3.03Å; A680-S683 VanDerWaalsContact O-N 3.15Å; A680-W684 PolarHBondContact O-N 3.25Å |
| 681 | C | 40.5 | Very low | 41.9 | Very low | 23 Ų | 23 | 81.9 Ų | 81.9 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -76.6 | -21.9 | -176.4 | -64.2 | 0 | 0 | 0 | 0 | 113.9 | R677 R678 S683 W684 R685 P1168 | R677-C681 WeakPolarHBondContact O-CB 3.33Å; R677-C681 PolarHBondContact O-N 3.44Å; R677-C681 PolarHBondContact O-SG 2.83Å; R678-C681 PolarHBondContact O-N 3.43Å; C681-S683 VanDerWaalsContact C-N 3.3Å; C681-W684 PolarHBondContact O-N 3.28Å; C681-R685 WeakPolarHBondContact O-CB 3.17Å; C681-R685 PolarHBondContact O-N 3.39Å; C681-P1168 HydrophobicContact CB-CG 3.42Å; C681-P1168 VanDerWaalsContact CB-CG 3.42Å |
| 682 | K | 44.9 | Very low | 41.5 | Very low | 162 Ų | 162 | 84 Ų | 84 | 70% | 0.704 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67 | -33.1 | 167.1 | -169.8 | 171.9 | -174.9 | 175.8 | 0 | 111.5 | R678 A680 S686 | R678-K682 WeakPolarHBondContact O-CB 3.4Å; R678-K682 PolarHBondContact O-N 2.73Å; A680-K682 PolarHBondContact O-N 3.49Å; K682-S686 WeakPolarHBondContact O-CB 3.46Å; K682-S686 PolarHBondContact O-N 2.9Å; K682-S686 PolarHBondContact O-OG 3.26Å |
| 683 | S | 45.1 | Very low | 40.7 | Very low | 23 Ų | 23 | 86 Ų | 86 | 16% | 0.161 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 172.8 | -52.8 | 0 | 0 | 0 | 0 | 112.3 | Q679 A680 C681 S686 Q687 | Q679-S683 PolarHBondContact O-N 3.34Å; Q679-S683 PolarHBondContact O-OG 2.7Å; A680-S683 WeakPolarHBondContact O-CB 3.42Å; A680-S683 PolarHBondContact O-N 3.03Å; A680-S683 VanDerWaalsContact O-N 3.15Å; C681-S683 VanDerWaalsContact C-N 3.3Å; S683-S686 PolarHBondContact O-OG 3.3Å; S683-S686 VanDerWaalsContact O-OG 3.05Å; S683-Q687 WeakPolarHBondContact O-CG 3.37Å; S683-Q687 PolarHBondContact O-N 3.28Å |
| 684 | W | 38.6 | Very low | 39.9 | Very low | 112 Ų | 112 | 90.6 Ų | 90.6 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 170.6 | -177.3 | 81.2 | 0 | 0 | 0 | 111.3 | E448 A680 C681 S686 Q687 Y688 | E448-W684 PolarHBondContact OE2-NE1 2.93Å; A680-W684 PolarHBondContact O-N 3.25Å; C681-W684 PolarHBondContact O-N 3.28Å; W684-S686 PolarHBondContact O-N 2.82Å; W684-Q687 PolarHBondContact O-N 3.11Å; W684-Y688 PolarHBondContact O-N 3.45Å; W684-Y688 VanDerWaalsContact O-N 3.09Å |
| 685 | R | 38.6 | Very low | 39.3 | Very low | 63 Ų | 63 | 97.7 Ų | 97.7 | 24% | 0.238 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 179 | -165.2 | 170.3 | -173.9 | 154.1 | -5.3 | 112.7 | C681 Q687 W689 D1470 | C681-R685 WeakPolarHBondContact O-CB 3.17Å; C681-R685 PolarHBondContact O-N 3.39Å; R685-Q687 VanDerWaalsContact C-N 3.27Å; R685-Q687 PolarHBondContact O-N 2.71Å; R685-W689 HydrophobicContact CG-CB 3.7Å; R685-W689 HydrophobicContact CG-CG 4.14Å; R685-W689 WeakPolarHBondContact O-CA 3.35Å; R685-W689 WeakPolarHBondContact O-CB 3.1Å; R685-W689 PolarHBondContact O-N 3.11Å; R685-D1470 PolarHBondContact NH1-O 3.07Å; R685-D1470 PolarHBondContact NH2-O 3.45Å |
| 686 | S | 46.4 | Very low | 38.4 | Very low | 91 Ų | 91 | 105 Ų | 105 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.6 | -21.2 | 178.8 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | K682 S683 W684 | K682-S686 WeakPolarHBondContact O-CB 3.46Å; K682-S686 PolarHBondContact O-N 2.9Å; K682-S686 PolarHBondContact O-OG 3.26Å; S683-S686 PolarHBondContact O-OG 3.3Å; S683-S686 VanDerWaalsContact O-OG 3.05Å; W684-S686 PolarHBondContact O-N 2.82Å |
| 687 | Q | 41.6 | Very low | 37.6 | Very low | 75 Ų | 75 | 107.2 Ų | 107.2 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -92.2 | -35.3 | 177.3 | -66.5 | -178.2 | 19.2 | 0 | 0 | 113 | S683 W684 R685 | S683-Q687 WeakPolarHBondContact O-CG 3.37Å; S683-Q687 PolarHBondContact O-N 3.28Å; W684-Q687 PolarHBondContact O-N 3.11Å; R685-Q687 VanDerWaalsContact C-N 3.27Å; R685-Q687 PolarHBondContact O-N 2.71Å |
| 688 | Y | 34.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 110.1 Ų | 110.1 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -112 | -2.5 | -172 | -66 | -81.7 | 0 | 0 | 0 | 115.4 | W684 P690 | W684-Y688 PolarHBondContact O-N 3.45Å; W684-Y688 VanDerWaalsContact O-N 3.09Å; Y688-P690 WeakPolarHBondContact O-CD 3.38Å |
| 689 | W | 38.8 | Very low | 35.9 | Very low | 123 Ų | 123 | 112 Ų | 112 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | trans | -118.9 | 60.6 | 176.7 | -161.1 | -87.3 | 0 | 0 | 0 | 112.8 | R685 K691 | R685-W689 HydrophobicContact CG-CB 3.7Å; R685-W689 HydrophobicContact CG-CG 4.14Å; R685-W689 WeakPolarHBondContact O-CA 3.35Å; R685-W689 WeakPolarHBondContact O-CB 3.1Å; R685-W689 PolarHBondContact O-N 3.11Å; W689-K691 PolarHBondContact O-N 2.85Å; W689-K691 VanDerWaalsContact O-N 3.14Å | ||
| 690 | P | 33.4 | Very low | 34.8 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 66% | 0.662 | 59% | 0.587 | S | S | * | * | trans | -68.9 | 111.1 | -177.4 | 28.3 | -34.8 | 0 | 0 | 0 | 112.6 | Y688 M692 | Y688-P690 WeakPolarHBondContact O-CD 3.38Å; P690-M692 PolarHBondContact O-N 2.88Å | ||
| 691 | K | 31.7 | Very low | 34.1 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 65% | 0.652 | 62% | 0.623 | S | S | * | * | trans | 29.7 | 74.9 | 159 | -72.1 | -167 | 160.9 | -148.6 | 0 | 117 | W689 E694 | W689-K691 PolarHBondContact O-N 2.85Å; W689-K691 VanDerWaalsContact O-N 3.14Å; K691-E694 WeakPolarHBondContact CD-OE2 3.27Å; K691-E694 WeakPolarHBondContact CE-OE2 3.49Å; K691-E694 IonicContact NZ-OE1 3.74Å; K691-E694 PolarHBondContact NZ-OE1 3.22Å; K691-E694 IonicContact NZ-OE2 3.64Å; K691-E694 PolarHBondContact NZ-OE2 2.77Å | ||
| 692 | M | 31.2 | Very low | 33.4 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | trans | -103.5 | 62.2 | 163.3 | -63.2 | -156.1 | 90.7 | 0 | 0 | 112 | P690 | P690-M692 PolarHBondContact O-N 2.88Š| ||
| 693 | T | 29.1 | Very low | 32.5 | Very low | 121 Ų | 121 | 126 Ų | 126 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -154.8 | -4.5 | 177 | 4.7 | 0 | 0 | 0 | 0 | 117.7 | ||
| 694 | E | 29 | Very low | 31.6 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 62% | 0.617 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -102.4 | -25.2 | -173.7 | -74.4 | 172.1 | 158.3 | 0 | 0 | 115.1 | K691 Y696 | K691-E694 WeakPolarHBondContact CD-OE2 3.27Å; K691-E694 WeakPolarHBondContact CE-OE2 3.49Å; K691-E694 IonicContact NZ-OE1 3.74Å; K691-E694 PolarHBondContact NZ-OE1 3.22Å; K691-E694 IonicContact NZ-OE2 3.64Å; K691-E694 PolarHBondContact NZ-OE2 2.77Å; E694-Y696 PolarHBondContact O-N 2.87Å |
| 695 | D | 29.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -96.9 | 27.5 | -168.7 | -69.1 | -43.2 | 0 | 0 | 0 | 115.9 | ||
| 696 | Y | 27.5 | Very low | 30.7 | Very low | 229 Ų | 229 | 132.5 Ų | 132.5 | 90% | 0.898 | 73% | 0.725 | S | S | * | * | trans | -117.6 | 40.2 | -179.4 | -97 | -83.9 | 0 | 0 | 0 | 115.1 | E694 | E694-Y696 PolarHBondContact O-N 2.87Š| ||
| 697 | K | 26.4 | Very low | 30 | Very low | 213 Ų | 213 | 139 Ų | 139 | 93% | 0.926 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -136.9 | 77.8 | 162.1 | -74.4 | -168.3 | 176 | -178.5 | 0 | 111.7 | ||
| 698 | G | 30.2 | Very low | 29.5 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -169.5 | 134.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 699 | S | 26.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -95.3 | 135.8 | -171.5 | 55.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 700 | Q | 26.7 | Very low | 29.2 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | 33.3 | 105.1 | 146.2 | -57.2 | -178 | 9 | 0 | 0 | 118.6 | ||||
| 701 | S | 25.3 | Very low | 29.4 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | -173.2 | 151 | 119.6 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 702 | T | 25.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -29.4 | 116 | 172.7 | 50.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 703 | T | 27 | Very low | 30 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | 177 | 151 | 112.2 | 28.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 704 | S | 26.3 | Very low | 30.7 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -88.9 | 145.5 | 168.3 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 705 | P | 29.4 | Very low | 31.3 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | -134.7 | 154.2 | 109.2 | 37.6 | -29.7 | 0 | 0 | 0 | 114.5 | |||||
| 706 | V | 28.5 | Very low | 31.8 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | -53.6 | 141.7 | 163.3 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 707 | R | 30.8 | Very low | 32.7 | Very low | 227 Ų | 227 | 127.3 Ų | 127.3 | 86% | 0.857 | 69% | 0.686 | S | S | * | * | trans | -105.3 | 120.7 | 162.3 | -81 | -169.5 | 172 | -164.4 | 0.1 | 109.2 | ||||
| 708 | D | 32.1 | Very low | 33.5 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | trans | -73.4 | 143 | -178.3 | -56.2 | -69.2 | 0 | 0 | 0 | 112.8 | Y710 L711 | D708-Y710 PolarHBondContact O-N 3.45Å; D708-L711 PolarHBondContact O-N 2.97Å | ||
| 709 | D | 32 | Very low | 33.9 | Very low | 138 Ų | 138 | 125 Ų | 125 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -52.8 | -25 | 172 | -63.7 | -54 | 0 | 0 | 0 | 112.9 | L711 L712 E713 | D709-L711 PolarHBondContact O-N 2.78Å; D709-L712 WeakPolarHBondContact O-CB 3.24Å; D709-L712 PolarHBondContact O-N 3.16Å; D709-E713 PolarHBondContact O-N 3.1Å |
| 710 | Y | 34.3 | Very low | 34.5 | Very low | 156 Ų | 156 | 126 Ų | 126 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -54.5 | -33.1 | 176.2 | -171.2 | -109 | 0 | 0 | 0 | 113.3 | D708 L714 | D708-Y710 PolarHBondContact O-N 3.45Å; Y710-L714 HydrophobicContact CD1-CD1 4.23Å; Y710-L714 HydrophobicContact CE1-CD1 3.74Å; Y710-L714 HydrophobicContact CE2-CD1 4.08Å; Y710-L714 WeakPolarHBondContact O-CB 3.4Å; Y710-L714 PolarHBondContact O-N 2.62Å |
| 711 | L | 36.9 | Very low | 35 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -76.5 | -32.9 | 175.6 | -84 | 172.3 | 0 | 0 | 0 | 112.9 | D708 D709 Q715 | D708-L711 PolarHBondContact O-N 2.97Å; D709-L711 PolarHBondContact O-N 2.78Å; L711-Q715 WeakPolarHBondContact O-CB 3.27Å; L711-Q715 PolarHBondContact O-N 2.77Å |
| 712 | L | 36.4 | Very low | 35.6 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 69% | 0.686 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.2 | -43.6 | 170.9 | -113.7 | 73.2 | 0 | 0 | 0 | 110.6 | D709 L714 Q715 E716 | D709-L712 WeakPolarHBondContact O-CB 3.24Å; D709-L712 PolarHBondContact O-N 3.16Å; L712-L714 VanDerWaalsContact C-N 3.34Å; L712-L714 PolarHBondContact O-N 2.76Å; L712-Q715 CarbonylContact O-C 3.32Å; L712-Q715 PolarHBondContact O-N 3.06Å; L712-Q715 VanDerWaalsContact O-N 3.11Å; L712-E716 PolarHBondContact O-N 3.49Å |
| 713 | E | 39.6 | Very low | 35.9 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.7 | -37.7 | 176.2 | -154.4 | -152.1 | 174.6 | 0 | 0 | 111.6 | D709 K717 | D709-E713 PolarHBondContact O-N 3.1Å; E713-K717 VanDerWaalsContact O-CB 3.28Å; E713-K717 WeakPolarHBondContact O-CB 3.26Å; E713-K717 WeakPolarHBondContact O-CD 3.21Å; E713-K717 VanDerWaalsContact O-CG 3.22Å; E713-K717 WeakPolarHBondContact O-CG 3.45Å; E713-K717 PolarHBondContact O-N 2.72Å; E713-K717 WeakPolarHBondContact OE1-CE 3.46Å; E713-K717 IonicContact OE1-NZ 3.7Å; E713-K717 PolarHBondContact OE1-NZ 2.73Å; E713-K717 IonicContact OE2-NZ 2.69Å; E713-K717 PolarHBondContact OE2-NZ 2.72Å |
| 714 | L | 44.7 | Very low | 36.3 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 37% | 0.372 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -39.8 | 170.7 | -116.2 | 75.7 | 0 | 0 | 0 | 111.8 | Y710 L712 K717 R718 | Y710-L714 HydrophobicContact CD1-CD1 4.23Å; Y710-L714 HydrophobicContact CE1-CD1 3.74Å; Y710-L714 HydrophobicContact CE2-CD1 4.08Å; Y710-L714 WeakPolarHBondContact O-CB 3.4Å; Y710-L714 PolarHBondContact O-N 2.62Å; L712-L714 VanDerWaalsContact C-N 3.34Å; L712-L714 PolarHBondContact O-N 2.76Å; L714-K717 PolarHBondContact O-N 2.81Å; L714-R718 VanDerWaalsContact O-CB 3.25Å; L714-R718 WeakPolarHBondContact O-CB 3.16Å; L714-R718 PolarHBondContact O-N 3.48Å |
| 715 | Q | 42 | Very low | 36.5 | Very low | 142 Ų | 142 | 119.5 Ų | 119.5 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74 | -32.6 | -179.4 | -171.9 | 162 | -27.5 | 0 | 0 | 112.3 | L711 L712 R718 S719 | L711-Q715 WeakPolarHBondContact O-CB 3.27Å; L711-Q715 PolarHBondContact O-N 2.77Å; L712-Q715 CarbonylContact O-C 3.32Å; L712-Q715 PolarHBondContact O-N 3.06Å; L712-Q715 VanDerWaalsContact O-N 3.11Å; Q715-R718 PolarHBondContact O-N 3.23Å; Q715-S719 PolarHBondContact O-N 2.82Å; Q715-S719 PolarHBondContact O-OG 3.39Å |
| 716 | E | 38.7 | Very low | 36.7 | Very low | 84 Ų | 84 | 118.6 Ų | 118.6 | 39% | 0.393 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.3 | -34.7 | 170.8 | -151.2 | -158 | 156.1 | 0 | 0 | 112 | K529 L712 R718 S719 R720 | K529-E716 IonicContact NZ-OE1 3.71Å; K529-E716 PolarHBondContact NZ-OE1 3.25Å; L712-E716 PolarHBondContact O-N 3.49Å; E716-R718 VanDerWaalsContact C-N 3.32Å; E716-S719 WeakPolarHBondContact CA-OG 3.36Å; E716-S719 PolarHBondContact O-OG 2.88Å; E716-R720 VanDerWaalsContact O-CB 3.28Å; E716-R720 WeakPolarHBondContact O-CB 3.5Å; E716-R720 WeakPolarHBondContact O-CG 3.37Å; E716-R720 PolarHBondContact O-N 3.49Å |
| 717 | K | 47.7 | Very low | 36.9 | Very low | 100 Ų | 100 | 119.2 Ų | 119.2 | 44% | 0.435 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -40.2 | 166.9 | -77.2 | 167.1 | -175.8 | 164 | 0 | 111 | E713 L714 C721 | E713-K717 VanDerWaalsContact O-CB 3.28Å; E713-K717 WeakPolarHBondContact O-CB 3.26Å; E713-K717 WeakPolarHBondContact O-CD 3.21Å; E713-K717 VanDerWaalsContact O-CG 3.22Å; E713-K717 WeakPolarHBondContact O-CG 3.45Å; E713-K717 PolarHBondContact O-N 2.72Å; E713-K717 WeakPolarHBondContact OE1-CE 3.46Å; E713-K717 IonicContact OE1-NZ 3.7Å; E713-K717 PolarHBondContact OE1-NZ 2.73Å; E713-K717 IonicContact OE2-NZ 2.69Å; E713-K717 PolarHBondContact OE2-NZ 2.72Å; L714-K717 PolarHBondContact O-N 2.81Å; K717-C721 VanDerWaalsContact O-CB 3.31Å; K717-C721 WeakPolarHBondContact O-CB 3.38Å; K717-C721 PolarHBondContact O-N 2.94Å; K717-C721 PolarHBondContact O-SG 3.48Å |
| 718 | R | 42.5 | Very low | 36.7 | Very low | 181 Ų | 181 | 118.7 Ų | 118.7 | 68% | 0.683 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.3 | -47.4 | 178.2 | -157.2 | 168.8 | -164.7 | 146 | 1.1 | 111.3 | L714 Q715 E716 C721 D722 | L714-R718 VanDerWaalsContact O-CB 3.25Å; L714-R718 WeakPolarHBondContact O-CB 3.16Å; L714-R718 PolarHBondContact O-N 3.48Å; Q715-R718 PolarHBondContact O-N 3.23Å; E716-R718 VanDerWaalsContact C-N 3.32Å; R718-C721 CarbonylContact O-C 3.58Å; R718-C721 WeakPolarHBondContact O-CA 3.13Å; R718-C721 WeakPolarHBondContact O-CB 3.15Å; R718-C721 PolarHBondContact O-N 3.25Å; R718-C721 VanDerWaalsContact O-N 3.1Å; R718-D722 WeakPolarHBondContact O-CB 3.36Å; R718-D722 PolarHBondContact O-N 2.81Å |
| 719 | S | 39.2 | Very low | 36.5 | Very low | 65 Ų | 65 | 117.5 Ų | 117.5 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.2 | -34 | 176.2 | 67.6 | 0 | 0 | 0 | 0 | 113 | Q715 E716 D722 L723 | Q715-S719 PolarHBondContact O-N 2.82Å; Q715-S719 PolarHBondContact O-OG 3.39Å; E716-S719 WeakPolarHBondContact CA-OG 3.36Å; E716-S719 PolarHBondContact O-OG 2.88Å; S719-D722 PolarHBondContact O-N 3.34Å; S719-L723 WeakPolarHBondContact O-CB 3.36Å; S719-L723 PolarHBondContact O-N 3.34Å |
| 720 | R | 38.3 | Very low | 36.3 | Very low | 132 Ų | 132 | 116 Ų | 116 | 50% | 0.498 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60 | -48.4 | 165.2 | -82 | -176.7 | 63 | 107.8 | 2.7 | 111.1 | E716 D722 L723 Y724 | E716-R720 VanDerWaalsContact O-CB 3.28Å; E716-R720 WeakPolarHBondContact O-CB 3.5Å; E716-R720 WeakPolarHBondContact O-CG 3.37Å; E716-R720 PolarHBondContact O-N 3.49Å; R720-D722 VanDerWaalsContact C-N 3.29Å; R720-D722 PolarHBondContact O-N 2.97Å; R720-L723 PolarHBondContact O-N 3.38Å; R720-Y724 WeakPolarHBondContact O-CB 3.47Å; R720-Y724 WeakPolarHBondContact O-CD2 3.27Å; R720-Y724 PolarHBondContact O-N 2.89Å |
| 721 | C | 37 | Very low | 36 | Very low | 70 Ų | 70 | 116.2 Ų | 116.2 | 47% | 0.473 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.7 | -36 | 177.2 | -78.9 | 0 | 0 | 0 | 0 | 112.5 | K717 R718 R725 | K717-C721 VanDerWaalsContact O-CB 3.31Å; K717-C721 WeakPolarHBondContact O-CB 3.38Å; K717-C721 PolarHBondContact O-N 2.94Å; K717-C721 PolarHBondContact O-SG 3.48Å; R718-C721 CarbonylContact O-C 3.58Å; R718-C721 WeakPolarHBondContact O-CA 3.13Å; R718-C721 WeakPolarHBondContact O-CB 3.15Å; R718-C721 PolarHBondContact O-N 3.25Å; R718-C721 VanDerWaalsContact O-N 3.1Å; C721-R725 WeakPolarHBondContact O-CB 3.43Å; C721-R725 PolarHBondContact O-N 3.35Å |
| 722 | D | 37.8 | Very low | 35.6 | Very low | 60 Ų | 60 | 121.9 Ų | 121.9 | 32% | 0.321 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.8 | -31.6 | 179.4 | -63.5 | -28.8 | 0 | 0 | 0 | 111.5 | R718 S719 R720 R725 T726 | R718-D722 WeakPolarHBondContact O-CB 3.36Å; R718-D722 PolarHBondContact O-N 2.81Å; S719-D722 PolarHBondContact O-N 3.34Å; R720-D722 VanDerWaalsContact C-N 3.29Å; R720-D722 PolarHBondContact O-N 2.97Å; D722-R725 PolarHBondContact O-N 3.02Å; D722-R725 IonicContact OD1-CZ 2.65Å; D722-R725 IonicContact OD1-NH1 3.41Å; D722-R725 PolarHBondContact OD1-NH1 2.84Å; D722-R725 IonicContact OD1-NH2 2.7Å; D722-T726 WeakPolarHBondContact O-CB 3.29Å; D722-T726 PolarHBondContact O-N 3.35Å; D722-T726 PolarHBondContact O-OG1 2.85Å |
| 723 | L | 33.7 | Very low | 35.1 | Very low | 109 Ų | 109 | 120 Ų | 120 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.2 | -45.6 | 168.8 | -162.4 | 73.8 | 0 | 0 | 0 | 111.3 | S719 R720 R725 T726 I727 | S719-L723 WeakPolarHBondContact O-CB 3.36Å; S719-L723 PolarHBondContact O-N 3.34Å; R720-L723 PolarHBondContact O-N 3.38Å; L723-R725 VanDerWaalsContact C-N 3.26Å; L723-R725 PolarHBondContact O-N 2.76Å; L723-T726 PolarHBondContact O-N 2.93Å; L723-I727 HydrophobicContact CG-CD1 4.27Å; L723-I727 WeakPolarHBondContact O-CB 3.41Å; L723-I727 WeakPolarHBondContact O-CG1 3.2Å; L723-I727 PolarHBondContact O-N 2.86Å |
| 724 | Y | 34 | Very low | 34.6 | Very low | 152 Ų | 152 | 119.8 Ų | 119.8 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.1 | -28 | 171.8 | -91.8 | -82.3 | 0 | 0 | 0 | 112.7 | R720 R728 | R720-Y724 WeakPolarHBondContact O-CB 3.47Å; R720-Y724 WeakPolarHBondContact O-CD2 3.27Å; R720-Y724 PolarHBondContact O-N 2.89Å; Y724-R728 WeakPolarHBondContact O-CB 3.49Å; Y724-R728 PolarHBondContact O-N 3.32Å |
| 725 | R | 32.2 | Very low | 34 | Very low | 153 Ų | 153 | 121.3 Ų | 121.3 | 58% | 0.577 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75 | -43.4 | 174 | -165.6 | 177.8 | -62 | 128 | 11.7 | 110.8 | C721 D722 L723 I727 R728 S729 | C721-R725 WeakPolarHBondContact O-CB 3.43Å; C721-R725 PolarHBondContact O-N 3.35Å; D722-R725 PolarHBondContact O-N 3.02Å; D722-R725 IonicContact OD1-CZ 2.65Å; D722-R725 IonicContact OD1-NH1 3.41Å; D722-R725 PolarHBondContact OD1-NH1 2.84Å; D722-R725 IonicContact OD1-NH2 2.7Å; L723-R725 VanDerWaalsContact C-N 3.26Å; L723-R725 PolarHBondContact O-N 2.76Å; R725-I727 PolarHBondContact O-N 3.03Å; R725-R728 CarbonylContact O-C 3.43Å; R725-R728 PolarHBondContact O-N 3.43Å; R725-R728 VanDerWaalsContact O-N 3.1Å; R725-S729 VanDerWaalsContact O-CB 3.25Å; R725-S729 WeakPolarHBondContact O-CB 3.44Å; R725-S729 PolarHBondContact O-N 2.95Å; R725-S729 PolarHBondContact O-OG 3.15Å |
| 726 | T | 32.3 | Very low | 33.4 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 60% | 0.595 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.8 | -38.9 | 176.6 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | D722 L723 R728 S729 | D722-T726 WeakPolarHBondContact O-CB 3.29Å; D722-T726 PolarHBondContact O-N 3.35Å; D722-T726 PolarHBondContact O-OG1 2.85Å; L723-T726 PolarHBondContact O-N 2.93Å; T726-R728 VanDerWaalsContact C-N 3.28Å; T726-R728 PolarHBondContact O-N 3.3Å; T726-S729 PolarHBondContact O-OG 2.92Å |
| 727 | I | 32 | Very low | 33 | Very low | 126 Ų | 126 | 114.3 Ų | 114.3 | 65% | 0.646 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -75.3 | -17.5 | 176 | -67.5 | 170.5 | 0 | 0 | 0 | 112.1 | L723 R725 | L723-I727 HydrophobicContact CG-CD1 4.27Å; L723-I727 WeakPolarHBondContact O-CB 3.41Å; L723-I727 WeakPolarHBondContact O-CG1 3.2Å; L723-I727 PolarHBondContact O-N 2.86Å; R725-I727 PolarHBondContact O-N 3.03Å |
| 728 | R | 28.7 | Very low | 32.1 | Very low | 217 Ų | 217 | 114 Ų | 114 | 82% | 0.819 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -109.5 | 3.8 | -179 | -151.2 | 172.5 | -164.6 | 165.4 | 6.7 | 114.1 | Y724 R725 T726 | Y724-R728 WeakPolarHBondContact O-CB 3.49Å; Y724-R728 PolarHBondContact O-N 3.32Å; R725-R728 CarbonylContact O-C 3.43Å; R725-R728 PolarHBondContact O-N 3.43Å; R725-R728 VanDerWaalsContact O-N 3.1Å; T726-R728 VanDerWaalsContact C-N 3.28Å; T726-R728 PolarHBondContact O-N 3.3Å |
| 729 | S | 26.5 | Very low | 31.4 | Very low | 86 Ų | 86 | 111.3 Ų | 111.3 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | trans | -99.2 | 3.8 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | R725 T726 K731 | R725-S729 VanDerWaalsContact O-CB 3.25Å; R725-S729 WeakPolarHBondContact O-CB 3.44Å; R725-S729 PolarHBondContact O-N 2.95Å; R725-S729 PolarHBondContact O-OG 3.15Å; T726-S729 PolarHBondContact O-OG 2.92Å; S729-K731 VanDerWaalsContact C-N 3.27Å; S729-K731 PolarHBondContact O-N 2.88Å | ||
| 730 | S | 27.4 | Very low | 30.9 | Very low | 106 Ų | 106 | 113.5 Ų | 113.5 | 74% | 0.741 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -90.9 | 27.7 | 173.1 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 731 | K | 28.3 | Very low | 31 | Very low | 161 Ų | 161 | 112.3 Ų | 112.3 | 70% | 0.7 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -148.9 | 135.7 | 170.9 | -106.9 | 170.7 | -176.2 | 178 | 0 | 111.1 | S729 | S729-K731 VanDerWaalsContact C-N 3.27Å; S729-K731 PolarHBondContact O-N 2.88Å |
| 732 | Y | 28.2 | Very low | 30.4 | Very low | 222 Ų | 222 | 115.5 Ų | 115.5 | 87% | 0.871 | 62% | 0.619 | S | S | * | * | trans | 63.3 | 89.4 | 179.7 | -56.3 | -72.6 | 0 | 0 | 0 | 115.9 | ||||
| 733 | T | 26.7 | Very low | 30 | Very low | 92 Ų | 92 | 119.2 Ų | 119.2 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | trans | -78.7 | 142.8 | 146.4 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | E583 | E583-T733 WeakPolarHBondContact OE2-CB 3.26Å; E583-T733 WeakPolarHBondContact OE2-CG2 3.39Å; E583-T733 PolarHBondContact OE2-OG1 2.6Å | ||
| 734 | N | 29.9 | Very low | 29.8 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 48% | 0.481 | 65% | 0.647 | S | S | . | * | trans | 46.7 | 113.2 | 159.7 | -57.5 | -52.2 | 0 | 0 | 0 | 118 | P581 E583 | P581-N734 HydrophobicContact CB-CB 4.38Å; E583-N734 WeakPolarHBondContact CB-ND2 3.41Å | ||
| 735 | S | 30.6 | Very low | 29.9 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | -131.7 | 157.7 | 53.3 | 54.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 736 | S | 30.7 | Very low | 29.8 | Very low | 35 Ų | 35 | 118.8 Ų | 118.8 | 25% | 0.245 | 66% | 0.66 | C | S | . | * | trans | -18.7 | 157.3 | 161.1 | 43.6 | 0 | 0 | 0 | 0 | 120 | Y579 C580 | Y579-S736 VanDerWaalsContact CB-CB 3.47Å; Y579-S736 VanDerWaalsContact CB-OG 3.22Å; Y579-S736 WeakPolarHBondContact CB-OG 3.21Å; Y579-S736 WeakPolarHBondContact CD1-O 3.43Å; Y579-S736 WeakPolarHBondContact CD1-OG 3.43Å; Y579-S736 WeakPolarHBondContact CE1-O 3.18Å; Y579-S736 VanDerWaalsContact CG-CB 3.44Å; C580-S736 VanDerWaalsContact CB-CB 3.42Å; C580-S736 WeakPolarHBondContact CB-OG 3.4Å; C580-S736 WeakPolarHBondContact SG-CB 3.27Å; C580-S736 PolarHBondContact SG-N 3.29Å | ||
| 737 | G | 29.5 | Very low | 29.6 | Very low | 44 Ų | 44 | 118 Ų | 118 | 45% | 0.454 | 67% | 0.671 | S | S | . | * | cis | 172.2 | -153.3 | 14.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y579 | Y579-G737 VanDerWaalsContact CZ-C 3.46Å; Y579-G737 PolarHBondContact OH-O 3.32Å | ||
| 738 | C | 28 | Very low | 29.4 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 63% | 0.628 | 68% | 0.684 | S | S | * | * | trans | -140.5 | 169.2 | -174.5 | -63 | 0 | 0 | 0 | 0 | 110.7 | Y579 | Y579-C738 VanDerWaalsContact CE2-O 3.28Å; Y579-C738 WeakPolarHBondContact CE2-O 2.95Å | ||
| 739 | V | 28.4 | Very low | 29.3 | Very low | 124 Ų | 124 | 115.4 Ų | 115.4 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | -171.9 | 125.2 | 66.5 | 155.2 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 740 | T | 28.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | 64.6 | 163 | 61.9 | 67.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 741 | P | 40.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | -117.3 | -154.8 | -56.2 | 35.9 | -18.4 | 0 | 0 | 0 | 110.4 | |||||
| 742 | D | 25.9 | Very low | 29.3 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | cis | -177.3 | 175.7 | 49.5 | -146.8 | -17.6 | 0 | 0 | 0 | 115.1 | ||||
| 743 | L | 29.6 | Very low | 29.2 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 72% | 0.723 | 68% | 0.683 | S | S | * | * | trans | 84.2 | 89.6 | 158.6 | -66.8 | 168.6 | 0 | 0 | 0 | 122.5 | ||||
| 744 | M | 28.1 | Very low | 29.1 | Very low | 156 Ų | 156 | 119.6 Ų | 119.6 | 77% | 0.768 | 69% | 0.693 | S | S | * | * | 79.8 | 153.6 | 118.4 | -72.8 | -66.9 | 100 | 0 | 0 | 121.6 | |||||
| 745 | P | 37.1 | Very low | 29 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 58% | 0.578 | 71% | 0.706 | S | S | * | * | -144.3 | -163.1 | -127.5 | 44.5 | -23.4 | 0 | 0 | 0 | 117.3 | |||||
| 746 | N | 28.4 | Very low | 28.8 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | 104.6 | 138.1 | 163 | -57.7 | -43.5 | 0 | 0 | 0 | 116.8 | ||||
| 747 | G | 28.3 | Very low | 28.7 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | 153.9 | 78.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 748 | L | 28.4 | Very low | 29.2 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | trans | -47.3 | 132.8 | 179.6 | -69.6 | 161.2 | 0 | 0 | 0 | 117.8 | ||||
| 749 | S | 26.4 | Very low | 29.2 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | 73.3 | 130.7 | 126.8 | -155.4 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 750 | A | 28.2 | Very low | 29.3 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 88.5 | 125.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 751 | R | 27.4 | Very low | 29.4 | Very low | 225 Ų | 225 | 137.5 Ų | 137.5 | 85% | 0.849 | 75% | 0.748 | S | S | * | * | trans | 94.7 | 125.2 | 137.1 | -90.6 | -165.8 | 151.7 | 111.9 | 2.4 | 123.6 | ||||
| 752 | D | 26.7 | Very low | 28.9 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 56% | 0.556 | 75% | 0.751 | S | S | * | * | trans | 65.2 | 112.6 | 136.3 | -78.3 | -64.4 | 0 | 0 | 0 | 122.3 | ||||
| 753 | R | 26 | Very low | 29 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | 74.6 | 102 | 127.8 | -67.4 | 173.7 | -176 | -136.9 | -6.9 | 122.3 | |||||
| 754 | T | 25.1 | Very low | 28.9 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | 68.9 | 133.3 | 124.3 | 65.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 755 | K | 27.3 | Very low | 28.8 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | 114.3 | 142.3 | 125.2 | -139.7 | 170.9 | 179.9 | 179.8 | 0 | 117.2 | |||||
| 756 | F | 27.1 | Very low | 28.4 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 82.7 | 116.5 | 168.8 | -64 | -72 | 0 | 0 | 0 | 120.6 | ||||
| 757 | M | 28.1 | Very low | 28.3 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -85.1 | -178.5 | 147.8 | -78.6 | -166.6 | 75.8 | 0 | 0 | 109.4 | ||||
| 758 | P | 39.8 | Very low | 28 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | cis | -123.5 | -163.7 | 5.3 | 42.5 | -23.9 | 0 | 0 | 0 | 112.4 | ||||
| 759 | D | 29.1 | Very low | 27.8 | Very low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | cis | -151.5 | -157 | 13.8 | -134 | -30.5 | 0 | 0 | 0 | 109 | ||||
| 760 | T | 29.3 | Very low | 27.7 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | cis | -154 | 139.7 | 11.6 | -16.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 761 | V | 30.1 | Very low | 27.5 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | trans | 18.1 | 123.4 | 139.7 | -177.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 762 | D | 30.5 | Very low | 27.4 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | -164.2 | 168.9 | 95.5 | -136.6 | -28.6 | 0 | 0 | 0 | 115.3 | |||||
| 763 | N | 29 | Very low | 27.4 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -80 | 172.8 | -168.9 | -66.1 | -82.9 | 0 | 0 | 0 | 114.8 | ||||
| 764 | G | 26.8 | Very low | 27.4 | Very low | 60 Ų | 60 | 134.7 Ų | 134.7 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | cis | 156.1 | 141.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 765 | S | 25.3 | Very low | 27.5 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | 51.6 | 125.3 | 163.6 | 71.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 766 | K | 29.5 | Very low | 27.5 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | 174.8 | 125.3 | 104.8 | -95.8 | 170.5 | -176.4 | 176 | 0 | 115.7 | |||||
| 767 | N | 25.9 | Very low | 27.4 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | 31.1 | 117.1 | 127.2 | -61.9 | 59.6 | 0 | 0 | 0 | 122 | |||||
| 768 | E | 22.7 | Very low | 27.3 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | 86.5 | 129.6 | 112.1 | -72.3 | -174.6 | 112.5 | 0 | 0 | 124.8 | |||||
| 769 | W | 24.3 | Very low | 26.6 | Very low | 206 Ų | 206 | 130.7 Ų | 130.7 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | 84.8 | 106.5 | 141 | -71.8 | 38.6 | 0 | 0 | 0 | 122.2 | ||||
| 770 | N | 23.6 | Very low | 26.3 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | 66.7 | 108.3 | 117.4 | -66.3 | -7.8 | 0 | 0 | 0 | 123.4 | |||||
| 771 | S | 24.1 | Very low | 26.8 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | 95.3 | 167.6 | 111.5 | -156.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 772 | V | 26.3 | Very low | 26.4 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 76.7 | 96.2 | 173.3 | -170.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 773 | C | 25.9 | Very low | 26.3 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 68% | 0.676 | 75% | 0.749 | S | S | * | * | 88 | 152 | 72 | -79 | 0 | 0 | 0 | 0 | 113 | |||||
| 774 | D | 25.9 | Very low | 26.1 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -156.9 | -179.6 | 4.1 | -116.3 | -22.6 | 0 | 0 | 0 | 112.7 | ||||
| 775 | D | 26.4 | Very low | 25.9 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 68.1 | 142.3 | 165.7 | -74.8 | -46.8 | 0 | 0 | 0 | 118.7 | ||||
| 776 | I | 28 | Very low | 25.9 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | cis | -113.5 | 151.1 | 26 | -70 | 169.5 | 0 | 0 | 0 | 113.5 | ||||
| 777 | S | 24.1 | Very low | 25.7 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | trans | -114.9 | 156.8 | -172.9 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 778 | L | 27 | Very low | 25.5 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | 159.6 | 133.9 | 157.7 | -91.3 | 163 | 0 | 0 | 0 | 109.1 | ||||
| 779 | S | 25.1 | Very low | 25.5 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -170 | 139.8 | -28 | 46.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 780 | S | 22.4 | Very low | 25.6 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -108.2 | -171.2 | -180 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 781 | P | 39.5 | Very low | 25.7 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -126.8 | -171.2 | -75.3 | 40.1 | -25.2 | 0 | 0 | 0 | 111.7 | |||||
| 782 | L | 23.2 | Very low | 25.7 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 173.1 | 158.2 | 134.2 | -99.9 | 169.6 | 0 | 0 | 0 | 115.3 | ||||
| 783 | L | 26.7 | Very low | 25.5 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 63.8 | 135.6 | 170.2 | -62.4 | 170.1 | 0 | 0 | 0 | 116 | ||||
| 784 | L | 26.4 | Very low | 25.4 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | cis | -131.2 | 158.1 | 32.3 | -102.1 | 168.2 | 0 | 0 | 0 | 114.9 | ||||
| 785 | H | 22.7 | Very low | 25.3 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | trans | -121.7 | 109.4 | 173.7 | -165.6 | -83.7 | 0 | 0 | 0 | 108.2 | ||||
| 786 | S | 23.3 | Very low | 25.1 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -178.3 | 161.7 | 161.5 | -163 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 787 | L | 26 | Very low | 25 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | 59.2 | 91 | 178.8 | -52.5 | -179.8 | 0 | 0 | 0 | 112.9 | ||||
| 788 | S | 22.7 | Very low | 25.1 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | 65 | 123.2 | 42.2 | -156.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 789 | S | 22.7 | Very low | 25 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 40.4 | 116.4 | 171.3 | 65.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 790 | K | 26.8 | Very low | 25.1 | Very low | 209 Ų | 209 | 136.7 Ų | 136.7 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | -159.1 | 143.8 | 124.3 | -109.8 | 161.4 | -172.6 | 178.2 | 0 | 111.7 | |||||
| 791 | H | 25 | Very low | 25.5 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 73% | 0.731 | 74% | 0.741 | S | S | * | * | trans | -70 | 152.6 | -178.7 | -85.2 | -127.7 | 0 | 0 | 0 | 112.3 | ||||
| 792 | A | 23.8 | Very low | 25 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | trans | -129.1 | 87.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109 | R172 | R172-A792 PolarHBondContact NH2-O 3.09Å; R172-A792 VanDerWaalsContact NH2-O 3.15Å | ||
| 793 | S | 21.4 | Very low | 25.2 | Very low | 53 Ų | 53 | 135.7 Ų | 135.7 | 37% | 0.371 | 72% | 0.722 | S | S | . | * | trans | -160.4 | 149 | 170.9 | 47.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 794 | S | 23.5 | Very low | 25 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | trans | 63.7 | 168.8 | -171 | 87.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 795 | L | 23.7 | Very low | 25.1 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 61% | 0.613 | 72% | 0.715 | S | S | * | * | -164 | -168.9 | -56.2 | -108.6 | 164.6 | 0 | 0 | 0 | 106.8 | |||||
| 796 | Y | 24 | Very low | 25.4 | Very low | 134 Ų | 134 | 130 Ų | 130 | 53% | 0.525 | 72% | 0.715 | S | S | . | * | trans | 0 | 120.6 | 163.4 | -77.9 | -85 | 0 | 0 | 0 | 119.8 | ||||
| 797 | Q | 24.2 | Very low | 25.5 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | trans | 59.2 | 132.6 | 149.5 | -60.9 | 175.4 | -12.1 | 0 | 0 | 115.9 | ||||
| 798 | L | 26.2 | Very low | 25.6 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | -154 | 161.1 | 56.6 | -81.5 | 158.5 | 0 | 0 | 0 | 111.3 | Y800 | L798-Y800 VanDerWaalsContact C-N 3.29Å; L798-Y800 PolarHBondContact O-N 3.4Å; L798-Y800 VanDerWaalsContact O-N 3.09Å | |||
| 799 | N | 25.1 | Very low | 25.8 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | -67.9 | 99.2 | 142.6 | -81.7 | -12.5 | 0 | 0 | 0 | 107.5 | ||||
| 800 | Y | 28.3 | Very low | 26.2 | Very low | 190 Ų | 190 | 129.5 Ų | 129.5 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | trans | -33.5 | 137.4 | 139.9 | -92.8 | -89.4 | 0 | 0 | 0 | 109.6 | L798 N802 | L798-Y800 VanDerWaalsContact C-N 3.29Å; L798-Y800 PolarHBondContact O-N 3.4Å; L798-Y800 VanDerWaalsContact O-N 3.09Å; Y800-N802 WeakPolarHBondContact CD1-OD1 3.39Å | ||
| 801 | I | 30.9 | Very low | 26.4 | Very low | 150 Ų | 150 | 126 Ų | 126 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | -160 | 153.6 | 55 | -93.2 | 113.4 | 0 | 0 | 0 | 107 | |||||
| 802 | N | 29 | Very low | 26.6 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 51% | 0.513 | 69% | 0.692 | S | S | . | * | cis | -169.2 | 176.8 | -10.6 | -98.6 | 18.7 | 0 | 0 | 0 | 105.3 | Y800 | Y800-N802 WeakPolarHBondContact CD1-OD1 3.39Š| ||
| 803 | D | 26 | Very low | 26.9 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 66% | 0.658 | 68% | 0.681 | S | S | * | * | cis | -153.1 | 163 | -8.3 | -109.3 | -29.1 | 0 | 0 | 0 | 107.7 | ||||
| 804 | S | 23.4 | Very low | 27.2 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 89% | 0.888 | 70% | 0.695 | S | S | * | * | trans | -158.3 | 62 | 162.6 | 179.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 805 | S | 28 | Very low | 27.5 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | trans | -133.7 | 160 | 150.8 | 71.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 806 | D | 28.9 | Very low | 27.8 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | cis | -128 | -179.6 | 31.6 | -63.7 | -44.5 | 0 | 0 | 0 | 114.5 | K954 | D806-K954 PolarHBondContact O-NZ 2.78Š| ||
| 807 | D | 26.9 | Very low | 27.8 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | trans | -100.6 | 136.3 | 159.1 | -67.1 | -41.1 | 0 | 0 | 0 | 109.2 | K954 | D807-K954 IonicContact OD1-NZ 3.61Å; D807-K954 PolarHBondContact OD1-NZ 3.01Å | ||
| 808 | E | 27.1 | Very low | 28 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | trans | -73.4 | 135.8 | 176.5 | -72.7 | -165 | 133 | 0 | 0 | 111.9 | V951 | E808-V951 HydrophobicContact CB-CG2 4.26Š| ||
| 809 | S | 26.8 | Very low | 27.9 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | -130.4 | 135.2 | 151.9 | 60.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 810 | S | 31.6 | Very low | 28.1 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 52% | 0.524 | 70% | 0.704 | S | S | . | * | trans | -76.2 | 135.6 | -158.6 | -45.5 | 0 | 0 | 0 | 0 | 114 | T949 | S810-T949 WeakPolarHBondContact OG-CG2 3.29Š| ||
| 811 | Q | 30.1 | Very low | 27.9 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -75.9 | 151.4 | 162.3 | -66.2 | -179.8 | -21.2 | 0 | 0 | 111.2 | ||||
| 812 | E | 30.2 | Very low | 27.8 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | trans | -122.7 | 150.2 | 130.7 | -80.4 | -150.6 | 129.4 | 0 | 0 | 110.5 | ||||
| 813 | N | 30.1 | Very low | 27.8 | Very low | 84 Ų | 84 | 129 Ų | 129 | 45% | 0.449 | 72% | 0.716 | S | S | . | * | trans | -88.1 | 179.5 | -172.6 | -71.8 | -76.5 | 0 | 0 | 0 | 110.7 | S947 | N813-S947 PolarHBondContact ND2-OG 3.21Š| ||
| 814 | M | 27.7 | Very low | 27.9 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 66% | 0.655 | 72% | 0.718 | S | S | * | * | cis | -167.3 | 171.7 | 21.7 | -150.2 | -176.3 | -161.3 | 0 | 0 | 112.1 | ||||
| 815 | K | 29.9 | Very low | 28.2 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 70% | 0.7 | 72% | 0.715 | S | S | * | * | trans | 82.1 | 94.1 | 153.8 | -69.3 | 177.7 | -178 | 173.5 | 0 | 121.2 | ||||
| 816 | Q | 29.2 | Very low | 28.2 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | 59.2 | 97.5 | 108 | -71 | 173.2 | -34.4 | 0 | 0 | 120.4 | |||||
| 817 | S | 24.9 | Very low | 28.2 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | 33.7 | 115.2 | 113.7 | 63.9 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 818 | N | 28.1 | Very low | 28.3 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | -177.5 | 163.4 | 89.8 | -98.9 | -33.1 | 0 | 0 | 0 | 114.2 | |||||
| 819 | N | 24.8 | Very low | 28.3 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | -70.4 | 145 | -176.5 | -58.7 | -37.6 | 0 | 0 | 0 | 114.1 | ||||
| 820 | S | 28.3 | Very low | 28.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | -173.5 | 152.8 | 116.6 | 36.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 821 | N | 24.2 | Very low | 28.2 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | -83.2 | 152.9 | 177.3 | -48.4 | -49.6 | 0 | 0 | 0 | 110.9 | ||||
| 822 | T | 29.1 | Very low | 28.2 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | -176.8 | 121.2 | 121.2 | 29.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 823 | T | 29.3 | Very low | 28.2 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | trans | 31.9 | 124.1 | 136.4 | 57.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 824 | D | 26.5 | Very low | 28.1 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | 53.9 | 118.3 | 122.7 | -40.6 | -29.7 | 0 | 0 | 0 | 121 | |||||
| 825 | N | 31.7 | Very low | 28.1 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | -171.7 | 164.2 | 88.6 | -101.3 | -74.2 | 0 | 0 | 0 | 114.7 | |||||
| 826 | N | 27 | Very low | 27.8 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -96.7 | -172.5 | -173.8 | -68 | -67.5 | 0 | 0 | 0 | 113.7 | ||||
| 827 | T | 29.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | 92.3 | 95.1 | 153.1 | -30.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 828 | T | 28.8 | Very low | 27.8 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | 64 | 151.6 | 68.8 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 829 | L | 26.4 | Very low | 27.9 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | cis | -166 | 149.9 | -5.7 | -122.5 | 167.5 | 0 | 0 | 0 | 109.7 | ||||
| 830 | I | 28.4 | Very low | 27.8 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | trans | -146.3 | 107.1 | 149.1 | -52.1 | -176.7 | 0 | 0 | 0 | 104.3 | ||||
| 831 | A | 28.9 | Very low | 27.8 | Very low | 79 Ų | 79 | 132.9 Ų | 132.9 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | 62.6 | 142.2 | 74.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 832 | A | 30 | Very low | 28 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | cis | -164.2 | 160.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 833 | N | 29.4 | Very low | 27.9 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | cis | -162.7 | 160 | -8.8 | -109 | 15.3 | 0 | 0 | 0 | 110.9 | ||||
| 834 | N | 28.4 | Very low | 27.8 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 44 | 124.4 | 143.8 | -51.7 | 3 | 0 | 0 | 0 | 122.4 | ||||
| 835 | S | 28.2 | Very low | 27.8 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | -156.1 | 109.2 | 118.2 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 836 | E | 23.4 | Very low | 27.6 | Very low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -80.4 | 151.3 | 163.2 | -63.9 | 172.7 | 104.8 | 0 | 0 | 109.8 | ||||
| 837 | L | 28.4 | Very low | 27.8 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | -172.7 | 138.9 | 118.3 | -100.2 | 163 | 0 | 0 | 0 | 113 | |||||
| 838 | T | 25.9 | Very low | 27.8 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -38.1 | 142.2 | 169.2 | 54 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 839 | V | 29.2 | Very low | 28 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | 162.9 | 136.3 | 113.2 | 160 | 0 | 0 | 0 | 0 | 109 | |||||
| 840 | S | 23.4 | Very low | 28.1 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -97.9 | 137.7 | 174 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 841 | E | 27.7 | Very low | 28.1 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | -179.7 | 153.1 | 121.4 | -102.4 | 175.4 | -179.5 | 0 | 0 | 114.7 | |||||
| 842 | T | 28.6 | Very low | 28.1 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | 65 | 124.1 | 157.4 | 51.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 843 | D | 26.2 | Very low | 27.9 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 72.3 | 95.9 | 130.7 | -58.4 | -1.6 | 0 | 0 | 0 | 123.1 | ||||
| 844 | A | 28.2 | Very low | 28.3 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | 63 | 131.9 | 118.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 845 | L | 26.9 | Very low | 28.2 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | 4 | 145.5 | 148.1 | -82.3 | 64 | 0 | 0 | 0 | 118.5 | ||||
| 846 | D | 26.3 | Very low | 28.2 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | -172.8 | 163.6 | 62.8 | -156.6 | -9 | 0 | 0 | 0 | 113.7 | T848 | D846-T848 PolarHBondContact OD1-N 2.94Š| |||
| 847 | K | 31.2 | Very low | 28.5 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | -172.2 | 81 | 140.4 | -104.8 | 160 | -172.1 | 171.4 | 0 | 112.6 | ||||
| 848 | T | 30.3 | Very low | 28.5 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 53% | 0.528 | 73% | 0.734 | S | S | . | * | 41.7 | 140.8 | 111.2 | 60 | 0 | 0 | 0 | 0 | 121.6 | D846 | D846-T848 PolarHBondContact OD1-N 2.94Š| |||
| 849 | I | 32.4 | Very low | 28.5 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | 176.3 | 133 | 121 | -93 | 160.4 | 0 | 0 | 0 | 107.4 | |||||
| 850 | N | 29.3 | Very low | 28.3 | Very low | 127 Ų | 127 | 131 Ų | 131 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | cis | -163.7 | 166.6 | -9.4 | -106.6 | 1.2 | 0 | 0 | 0 | 108.1 | ||||
| 851 | S | 28.5 | Very low | 28.5 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | cis | 177 | 129.7 | -29 | 53.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 852 | C | 27.3 | Very low | 28.4 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 89% | 0.885 | 73% | 0.732 | S | S | * | * | trans | -158.2 | 144 | 159.3 | -113.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 853 | L | 26.9 | Very low | 28.1 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -157.9 | 179.3 | -168.3 | -86.6 | 109.1 | 0 | 0 | 0 | 108.2 | ||||
| 854 | P | 38 | Very low | 27.9 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | -142 | 179.7 | -51.5 | 40.2 | -23.2 | 0 | 0 | 0 | 114.4 | |||||
| 855 | T | 26.2 | Very low | 27.8 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | trans | 64 | 158.9 | 153.8 | 46.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 856 | D | 28.1 | Very low | 27.6 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | cis | -144 | 178 | 7.7 | -142.4 | -12.4 | 0 | 0 | 0 | 115.4 | ||||
| 857 | K | 29 | Very low | 27.4 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 70% | 0.7 | 74% | 0.74 | S | S | * | * | trans | -61.7 | 143 | -167.5 | -37.3 | 110.9 | -175 | 128.2 | 0 | 117.5 | ||||
| 858 | Q | 28.4 | Very low | 27.2 | Very low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | 172.2 | 135.2 | 96.6 | -87.7 | -144.9 | 6.1 | 0 | 0 | 116.5 | |||||
| 859 | L | 27.2 | Very low | 27 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | 36.4 | 119 | 143.6 | -74 | 161.7 | 0 | 0 | 0 | 124.3 | ||||
| 860 | S | 24.6 | Very low | 26.8 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 101 | 142.2 | 130.2 | 78.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 861 | N | 27.1 | Very low | 26.5 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | 71.6 | 95.5 | 157.4 | -66.2 | 0.3 | 0 | 0 | 0 | 122.9 | ||||
| 862 | S | 26.1 | Very low | 26.3 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | 63.2 | 116.4 | 121.2 | 66.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 863 | C | 22.7 | Very low | 26.4 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 64.1 | 100.1 | 131.6 | -112.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 864 | S | 22 | Very low | 26.3 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | 53.4 | 110 | 122.9 | 64.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 865 | T | 25 | Very low | 25.9 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -143 | 123.7 | 131.5 | 36.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 866 | E | 22.4 | Very low | 26 | Very low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | 76.1 | 139.9 | 70.6 | -72.6 | -152 | 150.5 | 0 | 0 | 115.9 | |||||
| 867 | S | 23.2 | Very low | 25.8 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -95 | 151 | -157.4 | 54.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 868 | F | 25.6 | Very low | 25.8 | Very low | 185 Ų | 185 | 137 Ų | 137 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -154.2 | 154.6 | 154.9 | -74.5 | -60.2 | 0 | 0 | 0 | 108.6 | ||||
| 869 | H | 27.3 | Very low | 25.6 | Very low | 138 Ų | 138 | 137 Ų | 137 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | cis | -147.9 | 175.4 | -3.6 | -116.1 | -45.5 | 0 | 0 | 0 | 106.5 | ||||
| 870 | S | 27 | Very low | 25.5 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | -155.2 | 143.5 | 46 | -61.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 871 | T | 24.6 | Very low | 25.4 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | -77.7 | 167.2 | 164.5 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 872 | T | 24.1 | Very low | 25.1 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | cis | -169.2 | 179.9 | 1.9 | 12.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 873 | M | 28.9 | Very low | 24.9 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 80.1 | 139.1 | 167.1 | -49.5 | -56.8 | -172.3 | 0 | 0 | 116.3 | ||||
| 874 | D | 25.6 | Very low | 24.8 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -163.9 | 139 | -27.6 | -153.4 | -8.6 | 0 | 0 | 0 | 109.8 | ||||
| 875 | N | 29.6 | Very low | 24.8 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 160.9 | 140.5 | 147.9 | -99.9 | -82.2 | 0 | 0 | 0 | 114.6 | ||||
| 876 | K | 26.8 | Very low | 24.7 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | 61.1 | 78.9 | 158.8 | -63.9 | -173.4 | 179.5 | -178 | 0 | 119.3 | ||||
| 877 | Q | 23.8 | Very low | 24.7 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | 5.1 | 159.6 | 109.2 | -90.9 | -172 | -13.2 | 0 | 0 | 120 | |||||
| 878 | P | 30.1 | Very low | 24.7 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -142.2 | 151.7 | -7.6 | 37.3 | -17.3 | 0 | 0 | 0 | 118.2 | ||||
| 879 | Q | 23.2 | Very low | 24.8 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 57.5 | 140.9 | 132.5 | -73.5 | -170.6 | -37.3 | 0 | 0 | 125.9 | ||||
| 880 | I | 25.2 | Very low | 24.9 | Very low | 122 Ų | 122 | 141 Ų | 141 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | trans | 93.3 | 104.5 | 133.8 | -78 | 165.5 | 0 | 0 | 0 | 120.4 | ||||
| 881 | Q | 23.1 | Very low | 25 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 66.9 | 159.9 | 131.2 | -62.3 | -179.8 | -23.7 | 0 | 0 | 122.7 | ||||
| 882 | S | 21.2 | Very low | 25.1 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -69 | 139.4 | 177.5 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 883 | S | 21.2 | Very low | 25.2 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | 174.3 | 148.6 | 127.4 | 39.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 884 | E | 21.6 | Very low | 25.2 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 54 | 128.9 | 152.6 | -65.8 | -176.4 | 164.1 | 0 | 0 | 123.3 | ||||
| 885 | L | 21.1 | Very low | 25.2 | Very low | 145 Ų | 145 | 143 Ų | 143 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 51.4 | 102.5 | 136.1 | -68.7 | 160.8 | 0 | 0 | 0 | 120.9 | ||||
| 886 | S | 22 | Very low | 25.1 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | 37 | 111.3 | 113.8 | -52.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 887 | T | 22.8 | Very low | 25 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | -178.8 | 156.4 | 101.9 | 27.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 888 | T | 24.7 | Very low | 25.2 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -105 | 155.3 | 160.7 | 53.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 889 | L | 27.5 | Very low | 25 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 89% | 0.885 | 74% | 0.74 | S | S | * | * | cis | -142.7 | -154.7 | 44.4 | -79.6 | 163.5 | 0 | 0 | 0 | 113 | ||||
| 890 | K | 28.2 | Very low | 25.1 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -128.7 | 150.4 | -147.6 | -104 | -177.8 | 179.3 | 177.2 | 0 | 116.4 | ||||
| 891 | M | 29.4 | Very low | 25 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | trans | 76.9 | 150.8 | 148.3 | -68.6 | -70 | 179.1 | 0 | 0 | 119.9 | ||||
| 892 | N | 26.7 | Very low | 25 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | -125.3 | 146.5 | -163.4 | -55.7 | -5.9 | 0 | 0 | 0 | 113.5 | ||||
| 893 | S | 26.3 | Very low | 25.1 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | 52.3 | 147.2 | 123.8 | 77.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 894 | H | 28.1 | Very low | 25.2 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | cis | -150 | 165 | 12.3 | -79.3 | -76.2 | 0 | 0 | 0 | 108.4 | ||||
| 895 | E | 27.1 | Very low | 25.5 | Very low | 112 Ų | 112 | 130 Ų | 130 | 52% | 0.523 | 75% | 0.747 | S | S | . | * | cis | -123.3 | -120.9 | -15.1 | -162.3 | 84.6 | -54.8 | 0 | 0 | 107.6 | Y899 | E895-Y899 WeakPolarHBondContact OE2-CE1 3.4Å; E895-Y899 PolarHBondContact OE2-OH 3.37Å | ||
| 896 | E | 26.7 | Very low | 26 | Very low | 183 Ų | 183 | 128.5 Ų | 128.5 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | cis | -134.4 | 162.1 | -4.2 | -92.3 | -162.2 | 77.3 | 0 | 0 | 109.4 | ||||
| 897 | G | 25.9 | Very low | 26.1 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 94.3 | 50.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 898 | C | 27 | Very low | 26.2 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 53% | 0.527 | 74% | 0.736 | S | S | . | * | 66.9 | 125.9 | 76.6 | -56.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 899 | Y | 25.8 | Very low | 26.3 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | cis | -167.5 | 160 | -12.1 | -106.6 | -33.8 | 0 | 0 | 0 | 113.4 | E895 | E895-Y899 WeakPolarHBondContact OE2-CE1 3.4Å; E895-Y899 PolarHBondContact OE2-OH 3.37Å | ||
| 900 | N | 26 | Very low | 26.2 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | trans | 72.1 | 106.6 | 141 | -67 | -6.4 | 0 | 0 | 0 | 124.1 | ||||
| 901 | T | 22.6 | Very low | 26.6 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | 36.2 | 134.7 | 115.9 | 65.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 902 | G | 22.8 | Very low | 26.5 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | 116.4 | 107.8 | 126.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 903 | S | 23 | Very low | 26.6 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 87% | 0.867 | 72% | 0.718 | S | S | * | * | trans | 13 | 108.2 | 148.4 | 173.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 904 | S | 24.1 | Very low | 26.6 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | -171.9 | 154 | 127.7 | 44.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 905 | V | 28.3 | Very low | 26.5 | Very low | 138 Ų | 138 | 115 Ų | 115 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | trans | -143.3 | 128.3 | 167.8 | 174.2 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 906 | P | 31.7 | Very low | 26.6 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | -148.1 | -165.6 | 67.4 | 45.9 | -25.6 | 0 | 0 | 0 | 113 | |||||
| 907 | C | 23.4 | Very low | 26.5 | Very low | 101 Ų | 101 | 112.2 Ų | 112.2 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | cis | -157.6 | 170.5 | 7.5 | -147.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 908 | N | 24.9 | Very low | 26.7 | Very low | 128 Ų | 128 | 111.9 Ų | 111.9 | 68% | 0.684 | 69% | 0.692 | S | S | * | * | trans | 58.5 | 103.4 | 154.8 | -65.9 | -21.8 | 0 | 0 | 0 | 120.1 | ||||
| 909 | L | 26.5 | Very low | 27 | Very low | 176 Ų | 176 | 113.6 Ų | 113.6 | 92% | 0.921 | 70% | 0.7 | S | S | * | * | -142.7 | 149.3 | 99.6 | -106 | 170.7 | 0 | 0 | 0 | 110.1 | |||||
| 910 | T | 26.9 | Very low | 27.4 | Very low | 107 Ų | 107 | 109.4 Ų | 109.4 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | trans | -150.3 | 173.5 | -163.9 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 911 | P | 35.7 | Very low | 27.5 | Very low | 106 Ų | 106 | 109.3 Ų | 109.3 | 69% | 0.688 | 69% | 0.692 | S | S | * | * | cis | -136.3 | -178.7 | -45.6 | 38.8 | -24.1 | 0 | 0 | 0 | 112.4 | ||||
| 912 | T | 27.8 | Very low | 28.1 | Very low | 124 Ų | 124 | 106.6 Ų | 106.6 | 76% | 0.761 | 68% | 0.678 | S | S | * | * | -172.4 | 133.2 | 115.5 | 21.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 913 | N | 28.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 107.1 Ų | 107.1 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | 43.4 | 107.9 | 159.5 | -51.8 | -4.4 | 0 | 0 | 0 | 118.2 | ||||
| 914 | S | 26.3 | Very low | 29.3 | Very low | 59 Ų | 59 | 106.1 Ų | 106.1 | 41% | 0.413 | 65% | 0.652 | S | S | . | * | 65.2 | 131.8 | 59 | 91 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 915 | T | 26.6 | Very low | 29.7 | Very low | 79 Ų | 79 | 104.1 Ų | 104.1 | 49% | 0.485 | 64% | 0.636 | S | S | . | * | cis | -141.7 | 164.2 | 12 | 41.6 | 0 | 0 | 0 | 0 | 110.8 | V1309 | T915-V1309 HydrophobicContact CG2-CG1 4.3Š| ||
| 916 | P | 28 | Very low | 29.9 | Very low | 124 Ų | 124 | 101.4 Ų | 101.4 | 81% | 0.805 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 161.1 | -161.6 | 32.5 | -37.5 | 0 | 0 | 0 | 116.1 | ||
| 917 | S | 25.7 | Very low | 30 | Very low | 113 Ų | 113 | 100.5 Ų | 100.5 | 79% | 0.79 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 135.4 | 168.4 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 918 | C | 29.2 | Very low | 30.5 | Very low | 60 Ų | 60 | 98.2 Ų | 98.2 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -82.1 | 135.9 | 171.8 | 105.7 | 0 | 0 | 0 | 0 | 110.4 | C920 H984 | C918-C920 WeakPolarHBondContact CB-SG 3.4Å; C918-C920 PolarHBondContact O-N 3.4Å; C918-C920 VanDerWaalsContact O-N 3.17Å; C918-C920 WeakPolarHBondContact SG-CB 3.45Å; C918-C920 PolarHBondContact SG-N 3.1Å; C918-C920 VanDerWaalsContact SG-N 3.4Å; C918-C920 CovalentContact SG-SG 2.04Å; C918-C920 PolarHBondContact SG-SG 3.04Å; C918-H984 PolarHBondContact SG-CE1 3.01Å |
| 919 | T | 33.1 | Very low | 31 | Very low | 114 Ų | 114 | 101.2 Ų | 101.2 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -77.5 | 12.4 | 176.4 | 44.2 | 0 | 0 | 0 | 0 | 113.2 | L921 S922 | T919-L921 PolarHBondContact O-N 2.78Å; T919-L921 VanDerWaalsContact O-N 3.1Å; T919-S922 PolarHBondContact O-N 2.77Å; T919-S922 PolarHBondContact O-OG 2.66Å |
| 920 | C | 33.6 | Very low | 31.3 | Very low | 70 Ų | 70 | 99.5 Ų | 99.5 | 47% | 0.473 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -0.2 | -176.7 | -19.2 | 0 | 0 | 0 | 0 | 114.4 | C918 | C918-C920 WeakPolarHBondContact CB-SG 3.4Å; C918-C920 PolarHBondContact O-N 3.4Å; C918-C920 VanDerWaalsContact O-N 3.17Å; C918-C920 WeakPolarHBondContact SG-CB 3.45Å; C918-C920 PolarHBondContact SG-N 3.1Å; C918-C920 VanDerWaalsContact SG-N 3.4Å; C918-C920 CovalentContact SG-SG 2.04Å; C918-C920 PolarHBondContact SG-SG 3.04Å |
| 921 | L | 29.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 98 Ų | 98 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | -4.2 | -176.5 | -78.2 | 167 | 0 | 0 | 0 | 113.8 | T919 P925 | T919-L921 PolarHBondContact O-N 2.78Å; T919-L921 VanDerWaalsContact O-N 3.1Å; L921-P925 VanDerWaalsContact O-CD 3.3Å; L921-P925 WeakPolarHBondContact O-CD 3.31Å |
| 922 | S | 34.3 | Very low | 31.3 | Very low | 76 Ų | 76 | 98.7 Ų | 98.7 | 53% | 0.531 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -89.7 | -6.5 | -177.7 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | T919 | T919-S922 PolarHBondContact O-N 2.77Å; T919-S922 PolarHBondContact O-OG 2.66Å |
| 923 | T | 37.1 | Very low | 31.4 | Very low | 85 Ų | 85 | 100.6 Ų | 100.6 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -116 | -18.7 | 179.9 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | D926 L927 | T923-D926 PolarHBondContact O-N 3.38Å; T923-L927 WeakPolarHBondContact O-CB 3.1Å; T923-L927 PolarHBondContact O-N 2.85Å |
| 924 | L | 33.5 | Very low | 31.2 | Very low | 102 Ų | 102 | 100 Ų | 100 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.2 | -36.9 | -178.5 | -156.5 | 146.8 | 0 | 0 | 0 | 113.2 | L928 | L924-L928 HydrophobicContact CD2-CD1 3.81Å; L924-L928 HydrophobicContact CD2-CG 4.41Å; L924-L928 WeakPolarHBondContact O-CG 3.46Å; L924-L928 PolarHBondContact O-N 3.09Å |
| 925 | P | 34.3 | Very low | 31.3 | Very low | 72 Ų | 72 | 103.4 Ų | 103.4 | 47% | 0.468 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.2 | -36.1 | 170.1 | -22.8 | 35.1 | 0 | 0 | 0 | 113.5 | L921 L928 R929 | L921-P925 VanDerWaalsContact O-CD 3.3Å; L921-P925 WeakPolarHBondContact O-CD 3.31Å; P925-L928 PolarHBondContact O-N 3.5Å; P925-R929 WeakPolarHBondContact O-CG 3.33Å; P925-R929 PolarHBondContact O-N 2.84Å |
| 926 | D | 32.5 | Very low | 31.1 | Very low | 81 Ų | 81 | 103.5 Ų | 103.5 | 43% | 0.433 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -81.1 | -30.1 | -178.1 | -68 | -37 | 0 | 0 | 0 | 112.5 | T923 R929 L930 | T923-D926 PolarHBondContact O-N 3.38Å; D926-R929 WeakPolarHBondContact O-CB 3.39Å; D926-R929 PolarHBondContact O-N 2.93Å; D926-R929 IonicContact OD1-NH1 2.63Å; D926-R929 PolarHBondContact OD1-NH1 3.02Å; D926-L930 PolarHBondContact O-N 3.19Å; D926-L930 VanDerWaalsContact O-N 3.1Å |
| 927 | L | 32.7 | Very low | 31.1 | Very low | 95 Ų | 95 | 104.3 Ų | 104.3 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.7 | -37.7 | 166.1 | -87.3 | 163.3 | 0 | 0 | 0 | 112.2 | T923 R929 L930 A931 | T923-L927 WeakPolarHBondContact O-CB 3.1Å; T923-L927 PolarHBondContact O-N 2.85Å; L927-R929 VanDerWaalsContact C-N 3.31Å; L927-R929 PolarHBondContact O-N 3.25Å; L927-L930 PolarHBondContact O-N 3.16Å; L927-A931 PolarHBondContact O-N 2.82Å |
| 928 | L | 35.2 | Very low | 31 | Very low | 53 Ų | 53 | 107.7 Ų | 107.7 | 28% | 0.277 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.8 | -33.5 | 171.4 | -76.2 | 170.6 | 0 | 0 | 0 | 112 | I654 L924 P925 L930 A931 H932 | I654-L928 HydrophobicContact CD1-CD2 4.48Å; I654-L928 HydrophobicContact CG1-CD2 4.43Å; L924-L928 HydrophobicContact CD2-CD1 3.81Å; L924-L928 HydrophobicContact CD2-CG 4.41Å; L924-L928 WeakPolarHBondContact O-CG 3.46Å; L924-L928 PolarHBondContact O-N 3.09Å; P925-L928 PolarHBondContact O-N 3.5Å; L928-L930 VanDerWaalsContact C-N 3.31Å; L928-L930 PolarHBondContact O-N 2.77Å; L928-A931 PolarHBondContact O-N 3.21Å; L928-A931 VanDerWaalsContact O-N 3.17Å; L928-H932 PolarHBondContact O-CD2 3.28Å; L928-H932 PolarHBondContact O-N 3.49Å; L928-H932 VanDerWaalsContact O-N 3.09Å |
| 929 | R | 34.1 | Very low | 30.9 | Very low | 190 Ų | 190 | 111.4 Ų | 111.4 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.7 | -29.8 | 171.5 | -79.1 | 169.9 | 155.4 | -177.9 | -9.1 | 113.9 | P925 D926 L927 | P925-R929 WeakPolarHBondContact O-CG 3.33Å; P925-R929 PolarHBondContact O-N 2.84Å; D926-R929 WeakPolarHBondContact O-CB 3.39Å; D926-R929 PolarHBondContact O-N 2.93Å; D926-R929 IonicContact OD1-NH1 2.63Å; D926-R929 PolarHBondContact OD1-NH1 3.02Å; L927-R929 VanDerWaalsContact C-N 3.31Å; L927-R929 PolarHBondContact O-N 3.25Å |
| 930 | L | 33.7 | Very low | 30.5 | Very low | 141 Ų | 141 | 114.6 Ų | 114.6 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.3 | -25.4 | 170.9 | -70.3 | 168 | 0 | 0 | 0 | 112.7 | D926 L927 L928 | D926-L930 PolarHBondContact O-N 3.19Å; D926-L930 VanDerWaalsContact O-N 3.1Å; L927-L930 PolarHBondContact O-N 3.16Å; L928-L930 VanDerWaalsContact C-N 3.31Å; L928-L930 PolarHBondContact O-N 2.77Å |
| 931 | A | 32.4 | Very low | 30.2 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 63% | 0.628 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.7 | -19.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L927 L928 L933 | L927-A931 PolarHBondContact O-N 2.82Å; L928-A931 PolarHBondContact O-N 3.21Å; L928-A931 VanDerWaalsContact O-N 3.17Å; A931-L933 VanDerWaalsContact C-N 3.28Å; A931-L933 PolarHBondContact O-N 3.44Å |
| 932 | H | 30.1 | Very low | 29.9 | Very low | 119 Ų | 119 | 117 Ų | 117 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | trans | -81.1 | 68 | 175.5 | -81.8 | -68.6 | 0 | 0 | 0 | 112.5 | L928 D934 | L928-H932 PolarHBondContact O-CD2 3.28Å; L928-H932 PolarHBondContact O-N 3.49Å; L928-H932 VanDerWaalsContact O-N 3.09Å; H932-D934 VanDerWaalsContact C-N 3.34Å; H932-D934 PolarHBondContact O-N 2.95Å; H932-D934 VanDerWaalsContact O-N 3.13Å | ||
| 933 | L | 28.4 | Very low | 29.5 | Very low | 165 Ų | 165 | 120.4 Ų | 120.4 | 86% | 0.864 | 65% | 0.647 | S | S | * | * | trans | -74.1 | 91.7 | 156 | -82.3 | 170.5 | 0 | 0 | 0 | 108.7 | A931 P935 | A931-L933 VanDerWaalsContact C-N 3.28Å; A931-L933 PolarHBondContact O-N 3.44Å; L933-P935 WeakPolarHBondContact O-CD 3.43Å | ||
| 934 | D | 25.9 | Very low | 28.9 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | trans | -81.8 | 113.9 | -178.3 | -156.3 | -26.9 | 0 | 0 | 0 | 110.6 | H932 S936 | H932-D934 VanDerWaalsContact C-N 3.34Å; H932-D934 PolarHBondContact O-N 2.95Å; H932-D934 VanDerWaalsContact O-N 3.13Å; D934-S936 PolarHBondContact O-N 3.25Å; D934-S936 WeakPolarHBondContact OD1-CB 3.3Å; D934-S936 PolarHBondContact OD1-OG 3.26Å | ||
| 935 | P | 26.7 | Very low | 28.6 | Very low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 67% | 0.668 | S | S | * | * | trans | -81.7 | 36 | -177 | 36.7 | -37 | 0 | 0 | 0 | 112.3 | L933 | L933-P935 WeakPolarHBondContact O-CD 3.43Š| ||
| 936 | S | 23.7 | Very low | 28.1 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 57% | 0.573 | 67% | 0.671 | S | S | * | * | trans | -141.3 | 57.9 | -159.7 | -31.2 | 0 | 0 | 0 | 0 | 113.2 | D934 | D934-S936 PolarHBondContact O-N 3.25Å; D934-S936 WeakPolarHBondContact OD1-CB 3.3Å; D934-S936 PolarHBondContact OD1-OG 3.26Å | ||
| 937 | I | 28.6 | Very low | 27.6 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 72% | 0.718 | 68% | 0.677 | S | S | * | * | trans | -113.1 | 83.2 | 170.7 | -54.6 | -176.3 | 0 | 0 | 0 | 110.5 | L939 | I937-L939 VanDerWaalsContact C-N 3.27Å; I937-L939 HydrophobicContact CG2-CB 4.08Å; I937-L939 HydrophobicContact CG2-CD1 3.89Å; I937-L939 HydrophobicContact CG2-CG 3.84Å; I937-L939 PolarHBondContact O-N 3.37Å | ||
| 938 | E | 23 | Very low | 27.3 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -71.5 | 83.8 | 157.9 | -73.3 | -170.2 | 131.4 | 0 | 0 | 109.4 | H940 | E938-H940 VanDerWaalsContact C-N 3.3Å; E938-H940 PolarHBondContact O-N 3.11Å; E938-H940 VanDerWaalsContact O-N 3.12Å | ||
| 939 | L | 27.3 | Very low | 26.7 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -84.3 | 79.2 | 167.5 | -104.1 | 170.3 | 0 | 0 | 0 | 110.5 | I937 N941 | I937-L939 VanDerWaalsContact C-N 3.27Å; I937-L939 HydrophobicContact CG2-CB 4.08Å; I937-L939 HydrophobicContact CG2-CD1 3.89Å; I937-L939 HydrophobicContact CG2-CG 3.84Å; I937-L939 PolarHBondContact O-N 3.37Å; L939-N941 PolarHBondContact O-N 2.9Å | ||
| 940 | H | 23.2 | Very low | 26.3 | Very low | 181 Ų | 181 | 121.9 Ų | 121.9 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | trans | -60.5 | 98.3 | 163.7 | -122.7 | -73 | 0 | 0 | 0 | 109.2 | E938 | E938-H940 VanDerWaalsContact C-N 3.3Å; E938-H940 PolarHBondContact O-N 3.11Å; E938-H940 VanDerWaalsContact O-N 3.12Å | ||
| 941 | N | 28.6 | Very low | 25.8 | Very low | 148 Ų | 148 | 119.4 Ų | 119.4 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -145.3 | 132.5 | 163.6 | -108.9 | -39.6 | 0 | 0 | 0 | 110.6 | L939 | L939-N941 PolarHBondContact O-N 2.9Š| ||
| 942 | S | 23.4 | Very low | 25.5 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | trans | -95.4 | 149.2 | -168.1 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 943 | N | 24.5 | Very low | 25.2 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | trans | 66.1 | 115 | 160 | -50 | -40.4 | 0 | 0 | 0 | 118 | ||||
| 944 | L | 26 | Very low | 25.1 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 86% | 0.859 | 69% | 0.689 | S | S | * | * | 147.6 | 100.2 | 99.6 | -166 | 68.6 | 0 | 0 | 0 | 114.1 | |||||
| 945 | A | 25.8 | Very low | 25.3 | Very low | 78 Ų | 78 | 120 Ų | 120 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | trans | 51 | 121.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 946 | T | 24.3 | Very low | 25.4 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 53% | 0.528 | 68% | 0.678 | S | S | . | * | trans | 40.5 | 121.6 | 132.7 | 63.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 947 | S | 22.8 | Very low | 25.7 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 57% | 0.573 | 69% | 0.685 | S | S | * | * | cis | -156.9 | -166.8 | 27.5 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | N813 | N813-S947 PolarHBondContact ND2-OG 3.21Š| ||
| 948 | T | 25.3 | Very low | 26 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | cis | -157.5 | 152.8 | 13.7 | -29.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 949 | T | 22.4 | Very low | 26.4 | Very low | 59 Ų | 59 | 120.5 Ų | 120.5 | 36% | 0.362 | 67% | 0.674 | S | S | . | * | trans | -17.8 | 128.1 | 158.4 | -47.4 | 0 | 0 | 0 | 0 | 120 | S810 | S810-T949 WeakPolarHBondContact OG-CG2 3.29Š| ||
| 950 | T | 26.5 | Very low | 26.8 | Very low | 132 Ų | 132 | 122 Ų | 122 | 81% | 0.81 | 67% | 0.67 | S | S | * | * | -154.4 | 118.7 | 129.6 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 951 | V | 22.6 | Very low | 27.4 | Very low | 89 Ų | 89 | 119.7 Ų | 119.7 | 54% | 0.539 | 66% | 0.659 | S | S | . | * | trans | -71.4 | 139.1 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | E808 | E808-V951 HydrophobicContact CB-CG2 4.26Š| ||
| 952 | C | 26.2 | Very low | 27.9 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | -142.8 | 154.1 | 161.8 | -149.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 953 | T | 25.2 | Very low | 28.8 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 63% | 0.632 | 65% | 0.649 | S | S | * | * | trans | -74.4 | 137.6 | -159.7 | 41.8 | 0 | 0 | 0 | 0 | 115.9 | T955 | T953-T955 VanDerWaalsContact C-N 3.32Å; T953-T955 PolarHBondContact O-N 2.75Å | ||
| 954 | K | 25.9 | Very low | 29.6 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 70% | 0.7 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 77.4 | 168.3 | -68.6 | 173.3 | -175.7 | 161 | 0 | 111.3 | D806 D807 | D806-K954 PolarHBondContact O-NZ 2.78Å; D807-K954 IonicContact OD1-NZ 3.61Å; D807-K954 PolarHBondContact OD1-NZ 3.01Å |
| 955 | T | 28.9 | Very low | 30.4 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | -37.9 | 170.7 | 39.8 | 0 | 0 | 0 | 0 | 113.4 | T953 F957 | T953-T955 VanDerWaalsContact C-N 3.32Å; T953-T955 PolarHBondContact O-N 2.75Å; T955-F957 PolarHBondContact O-N 3.23Å |
| 956 | D | 28.5 | Very low | 31.1 | Very low | 112 Ų | 112 | 120 Ų | 120 | 60% | 0.599 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 7.4 | -158.2 | -57.9 | 17 | 0 | 0 | 0 | 114.7 | ||
| 957 | F | 31.7 | Very low | 32.1 | Very low | 165 Ų | 165 | 119.8 Ų | 119.8 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.4 | -32.9 | -176.5 | -104.6 | -85.5 | 0 | 0 | 0 | 114.3 | T955 R960 Q961 | T955-F957 PolarHBondContact O-N 3.23Å; F957-R960 PolarHBondContact O-N 3.41Å; F957-Q961 PolarHBondContact O-N 3.15Å |
| 958 | N | 33.5 | Very low | 33 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.5 | -48.2 | -179.6 | -74.4 | 12.5 | 0 | 0 | 0 | 111.3 | R960 Q961 E962 | N958-R960 PolarHBondContact O-N 3.21Å; N958-R960 VanDerWaalsContact O-N 3.14Å; N958-Q961 PolarHBondContact O-N 3.42Å; N958-Q961 VanDerWaalsContact O-N 3.14Å; N958-E962 PolarHBondContact O-N 3.45Å |
| 959 | E | 32.7 | Very low | 33.8 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -57.7 | -31 | 177.5 | -66.4 | -169 | 162.1 | 0 | 0 | 111.9 | Y963 | E959-Y963 WeakPolarHBondContact O-CB 3.37Å; E959-Y963 PolarHBondContact O-N 2.91Å |
| 960 | R | 35.2 | Very low | 34.8 | Very low | 170 Ų | 170 | 119.8 Ų | 119.8 | 64% | 0.642 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.1 | -39.8 | 178.9 | -151.5 | 173.3 | -163.9 | 143.8 | 5.3 | 112.7 | F957 N958 Y963 E964 | F957-R960 PolarHBondContact O-N 3.41Å; N958-R960 PolarHBondContact O-N 3.21Å; N958-R960 VanDerWaalsContact O-N 3.14Å; R960-Y963 PolarHBondContact O-N 2.93Å; R960-E964 WeakPolarHBondContact O-CB 3.46Å; R960-E964 WeakPolarHBondContact O-CG 3.29Å; R960-E964 PolarHBondContact O-N 3.47Å |
| 961 | Q | 36.6 | Very low | 35.4 | Very low | 131 Ų | 131 | 116.3 Ų | 116.3 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.8 | -36.9 | 172.8 | -73 | -171.5 | -16.2 | 0 | 0 | 112.2 | F957 N958 L965 | F957-Q961 PolarHBondContact O-N 3.15Å; N958-Q961 PolarHBondContact O-N 3.42Å; N958-Q961 VanDerWaalsContact O-N 3.14Å; Q961-L965 WeakPolarHBondContact O-CB 3.02Å; Q961-L965 PolarHBondContact O-N 3.42Å |
| 962 | E | 38 | Very low | 36 | Very low | 132 Ų | 132 | 116 Ų | 116 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.1 | -40.8 | 172.4 | -71.7 | -175 | 135.6 | 0 | 0 | 111.1 | N958 L965 E966 | N958-E962 PolarHBondContact O-N 3.45Å; E962-L965 PolarHBondContact O-N 3.12Å; E962-E966 WeakPolarHBondContact O-CB 3.43Å; E962-E966 WeakPolarHBondContact O-CG 3.38Å; E962-E966 PolarHBondContact O-N 3.22Å |
| 963 | Y | 43 | Very low | 36.3 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.2 | -36 | 176.2 | -167.6 | -110.3 | 0 | 0 | 0 | 113.1 | E959 R960 N967 | E959-Y963 WeakPolarHBondContact O-CB 3.37Å; E959-Y963 PolarHBondContact O-N 2.91Å; R960-Y963 PolarHBondContact O-N 2.93Å; Y963-N967 VanDerWaalsContact CD1-ND2 3.32Å; Y963-N967 WeakPolarHBondContact CD1-ND2 3.16Å; Y963-N967 WeakPolarHBondContact CE1-ND2 3.26Å; Y963-N967 WeakPolarHBondContact O-CB 3.41Å; Y963-N967 PolarHBondContact O-N 3.48Å; Y963-N967 PolarHBondContact O-ND2 3.47Å |
| 964 | E | 40.2 | Very low | 36.8 | Very low | 120 Ų | 120 | 117.7 Ų | 117.7 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70 | -35.5 | 173 | -75.5 | 171.6 | -165.8 | 0 | 0 | 111.5 | R960 F968 | R960-E964 WeakPolarHBondContact O-CB 3.46Å; R960-E964 WeakPolarHBondContact O-CG 3.29Å; R960-E964 PolarHBondContact O-N 3.47Å; E964-F968 VanDerWaalsContact O-CB 3.28Å; E964-F968 WeakPolarHBondContact O-CB 3.29Å; E964-F968 PolarHBondContact O-N 3.33Å |
| 965 | L | 42.8 | Very low | 36.9 | Very low | 99 Ų | 99 | 115.1 Ų | 115.1 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.6 | -41.4 | 172.4 | -176.4 | 61.7 | 0 | 0 | 0 | 112.3 | Q961 E962 F968 L969 | Q961-L965 WeakPolarHBondContact O-CB 3.02Å; Q961-L965 PolarHBondContact O-N 3.42Å; E962-L965 PolarHBondContact O-N 3.12Å; L965-F968 HydrophobicContact CD1-CD1 4.47Å; L965-F968 PolarHBondContact O-N 3.29Å; L965-L969 HydrophobicContact CD1-CD1 4.4Å; L965-L969 HydrophobicContact CD1-CG 4.46Å; L965-L969 HydrophobicContact CG-CD1 4.1Å; L965-L969 WeakPolarHBondContact O-CB 3.31Å; L965-L969 VanDerWaalsContact O-CG 3.24Å; L965-L969 WeakPolarHBondContact O-CG 3.33Å; L965-L969 PolarHBondContact O-N 3.25Å |
| 966 | E | 41 | Very low | 36.9 | Very low | 134 Ų | 134 | 116.1 Ų | 116.1 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.3 | -40.9 | 173 | -80.2 | -160.6 | 146.1 | 0 | 0 | 111.5 | E962 F968 L969 A970 | E962-E966 WeakPolarHBondContact O-CB 3.43Å; E962-E966 WeakPolarHBondContact O-CG 3.38Å; E962-E966 PolarHBondContact O-N 3.22Å; E966-F968 VanDerWaalsContact C-N 3.35Å; E966-L969 PolarHBondContact O-N 2.96Å; E966-A970 WeakPolarHBondContact O-CB 3.49Å; E966-A970 PolarHBondContact O-N 2.99Å |
| 967 | N | 45.4 | Very low | 36.9 | Very low | 80 Ų | 80 | 115.6 Ų | 115.6 | 43% | 0.428 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.9 | -35.5 | 173.8 | -81.9 | -74.2 | 0 | 0 | 0 | 112.2 | Y963 A971 | Y963-N967 VanDerWaalsContact CD1-ND2 3.32Å; Y963-N967 WeakPolarHBondContact CD1-ND2 3.16Å; Y963-N967 WeakPolarHBondContact CE1-ND2 3.26Å; Y963-N967 WeakPolarHBondContact O-CB 3.41Å; Y963-N967 PolarHBondContact O-N 3.48Å; Y963-N967 PolarHBondContact O-ND2 3.47Å; N967-A971 VanDerWaalsContact O-CB 3.23Å; N967-A971 WeakPolarHBondContact O-CB 3.39Å; N967-A971 PolarHBondContact O-N 2.96Å |
| 968 | F | 42.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 113.5 Ų | 113.5 | 50% | 0.504 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.3 | -42.8 | 173.5 | -179.9 | -104.1 | 0 | 0 | 0 | 111.9 | E964 L965 E966 A971 L972 | E964-F968 VanDerWaalsContact O-CB 3.28Å; E964-F968 WeakPolarHBondContact O-CB 3.29Å; E964-F968 PolarHBondContact O-N 3.33Å; L965-F968 HydrophobicContact CD1-CD1 4.47Å; L965-F968 PolarHBondContact O-N 3.29Å; E966-F968 VanDerWaalsContact C-N 3.35Å; F968-A971 PolarHBondContact O-N 3.06Å; F968-L972 HydrophobicContact CD1-CD1 3.95Å; F968-L972 HydrophobicContact CE1-CD1 3.63Å; F968-L972 HydrophobicContact CZ-CD1 4.1Å; F968-L972 WeakPolarHBondContact O-CG 3.4Å; F968-L972 PolarHBondContact O-N 2.67Å |
| 969 | L | 40.4 | Very low | 36.5 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 47% | 0.466 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.8 | -41.8 | 174.6 | -70.6 | 167.7 | 0 | 0 | 0 | 111.9 | L965 E966 A971 L972 D973 | L965-L969 HydrophobicContact CD1-CD1 4.4Å; L965-L969 HydrophobicContact CD1-CG 4.46Å; L965-L969 HydrophobicContact CG-CD1 4.1Å; L965-L969 WeakPolarHBondContact O-CB 3.31Å; L965-L969 VanDerWaalsContact O-CG 3.24Å; L965-L969 WeakPolarHBondContact O-CG 3.33Å; L965-L969 PolarHBondContact O-N 3.25Å; E966-L969 PolarHBondContact O-N 2.96Å; L969-A971 VanDerWaalsContact C-N 3.32Å; L969-A971 PolarHBondContact O-N 3.39Å; L969-L972 HydrophobicContact CD2-CD1 4.45Å; L969-L972 WeakPolarHBondContact O-CB 3.5Å; L969-L972 PolarHBondContact O-N 3.03Å; L969-L972 VanDerWaalsContact O-N 3.15Å; L969-D973 PolarHBondContact O-N 2.96Å |
| 970 | A | 43.9 | Very low | 36.5 | Very low | 47 Ų | 47 | 111.8 Ų | 111.8 | 39% | 0.388 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.4 | -34.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E966 D973 C974 | E966-A970 WeakPolarHBondContact O-CB 3.49Å; E966-A970 PolarHBondContact O-N 2.99Å; A970-D973 PolarHBondContact O-N 3.35Å; A970-C974 WeakPolarHBondContact O-CB 3.26Å; A970-C974 PolarHBondContact O-N 2.67Å; A970-C974 PolarHBondContact O-SG 3.2Å |
| 971 | A | 39.6 | Very low | 36.3 | Very low | 58 Ų | 58 | 106.5 Ų | 106.5 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.5 | -34.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | N967 F968 L969 C974 | N967-A971 VanDerWaalsContact O-CB 3.23Å; N967-A971 WeakPolarHBondContact O-CB 3.39Å; N967-A971 PolarHBondContact O-N 2.96Å; F968-A971 PolarHBondContact O-N 3.06Å; L969-A971 VanDerWaalsContact C-N 3.32Å; L969-A971 PolarHBondContact O-N 3.39Å; A971-C974 PolarHBondContact O-N 3.19Å |
| 972 | L | 35.6 | Very low | 36.4 | Very low | 83 Ų | 83 | 106.5 Ų | 106.5 | 44% | 0.435 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.8 | -42.9 | 171.8 | -71.9 | 167.6 | 0 | 0 | 0 | 112.1 | F968 L969 C974 L975 | F968-L972 HydrophobicContact CD1-CD1 3.95Å; F968-L972 HydrophobicContact CE1-CD1 3.63Å; F968-L972 HydrophobicContact CZ-CD1 4.1Å; F968-L972 WeakPolarHBondContact O-CG 3.4Å; F968-L972 PolarHBondContact O-N 2.67Å; L969-L972 HydrophobicContact CD2-CD1 4.45Å; L969-L972 WeakPolarHBondContact O-CB 3.5Å; L969-L972 PolarHBondContact O-N 3.03Å; L969-L972 VanDerWaalsContact O-N 3.15Å; L972-C974 PolarHBondContact O-N 2.99Å; L972-L975 HydrophobicContact CD2-CD1 4.09Å; L972-L975 WeakPolarHBondContact O-CB 3.49Å; L972-L975 PolarHBondContact O-N 3Å |
| 973 | D | 32.6 | Very low | 36.2 | Very low | 149 Ų | 149 | 108 Ų | 108 | 80% | 0.797 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.6 | -24.2 | 174.9 | -85.6 | -17.4 | 0 | 0 | 0 | 112.8 | L969 A970 L975 | L969-D973 PolarHBondContact O-N 2.96Å; A970-D973 PolarHBondContact O-N 3.35Å; D973-L975 VanDerWaalsContact C-N 3.31Å |
| 974 | C | 35.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 105 Ų | 105 | 73% | 0.73 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -5.5 | 173.4 | -74.9 | 0 | 0 | 0 | 0 | 114.1 | A970 A971 L972 P976 | A970-C974 WeakPolarHBondContact O-CB 3.26Å; A970-C974 PolarHBondContact O-N 2.67Å; A970-C974 PolarHBondContact O-SG 3.2Å; A971-C974 PolarHBondContact O-N 3.19Å; L972-C974 PolarHBondContact O-N 2.99Å; C974-P976 WeakPolarHBondContact O-CD 3.42Å |
| 975 | L | 28.4 | Very low | 35.4 | Very low | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -82.2 | 118.6 | 175.1 | -68.7 | 173 | 0 | 0 | 0 | 111 | L972 D973 S977 | L972-L975 HydrophobicContact CD2-CD1 4.09Å; L972-L975 WeakPolarHBondContact O-CB 3.49Å; L972-L975 PolarHBondContact O-N 3Å; D973-L975 VanDerWaalsContact C-N 3.31Å; L975-S977 PolarHBondContact O-N 3.32Å |
| 976 | P | 27.2 | Very low | 34.7 | Very low | 117 Ų | 117 | 103.5 Ų | 103.5 | 76% | 0.76 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 132.5 | 172.4 | 27.7 | -33.8 | 0 | 0 | 0 | 109.6 | C974 | C974-P976 WeakPolarHBondContact O-CD 3.42Š|
| 977 | S | 28.4 | Very low | 34.3 | Very low | 100 Ų | 100 | 105.6 Ų | 105.6 | 70% | 0.699 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 125.7 | -163.4 | -46.3 | 0 | 0 | 0 | 0 | 113.3 | L975 G979 | L975-S977 PolarHBondContact O-N 3.32Å; S977-G979 VanDerWaalsContact C-N 3.28Å; S977-G979 PolarHBondContact O-N 3.35Å |
| 978 | P | 28.7 | Very low | 33.3 | Very low | 121 Ų | 121 | 105.7 Ų | 105.7 | 79% | 0.786 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 75.2 | -170.2 | 30.1 | -36.5 | 0 | 0 | 0 | 112.4 | ||
| 979 | G | 30.1 | Very low | 32.4 | Very low | 58 Ų | 58 | 104.8 Ų | 104.8 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.6 | 2.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S977 | S977-G979 VanDerWaalsContact C-N 3.28Å; S977-G979 PolarHBondContact O-N 3.35Å |
| 980 | H | 31.8 | Very low | 31.9 | Very low | 177 Ų | 177 | 105.8 Ų | 105.8 | 82% | 0.819 | 63% | 0.627 | S | S | * | * | trans | -125.3 | 21.6 | -172.3 | -77.8 | 86.3 | 0 | 0 | 0 | 115.2 | P982 | H980-P982 VanDerWaalsContact O-CD 3.29Å; H980-P982 WeakPolarHBondContact O-CD 3.34Å | ||
| 981 | C | 30.5 | Very low | 31.1 | Very low | 59 Ų | 59 | 111.2 Ų | 111.2 | 40% | 0.399 | 64% | 0.643 | S | S | . | * | trans | -106.9 | 94.7 | 174.2 | -165.6 | 0 | 0 | 0 | 0 | 112.3 | K983 H984 | C981-K983 PolarHBondContact O-N 2.81Å; C981-H984 PolarHBondContact O-N 2.97Å; C981-H984 PolarHBondContact SG-ND1 3.35Å | ||
| 982 | P | 38.1 | Very low | 30.5 | Very low | 130 Ų | 130 | 115.1 Ų | 115.1 | 84% | 0.844 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 8 | -173.9 | 30.5 | -37.4 | 0 | 0 | 0 | 115 | H980 | H980-P982 VanDerWaalsContact O-CD 3.29Å; H980-P982 WeakPolarHBondContact O-CD 3.34Å |
| 983 | K | 34.8 | Very low | 30.1 | Very low | 164 Ų | 164 | 115.8 Ų | 115.8 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -15.7 | 179.4 | -73.1 | -168.5 | 175.2 | -174.2 | 0 | 115.3 | C981 | C981-K983 PolarHBondContact O-N 2.81Š|
| 984 | H | 37.4 | Very low | 30 | Very low | 89 Ų | 89 | 115 Ų | 115 | 41% | 0.412 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.6 | -8.8 | -171.5 | -61.5 | 106.2 | 0 | 0 | 0 | 115.1 | C918 C981 | C918-H984 PolarHBondContact SG-CE1 3.01Å; C981-H984 PolarHBondContact O-N 2.97Å; C981-H984 PolarHBondContact SG-ND1 3.35Å |
| 985 | F | 29.2 | Very low | 29.6 | Very low | 131 Ų | 131 | 113 Ų | 113 | 58% | 0.575 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -104.1 | 4.5 | 176.3 | -79.7 | -91.7 | 0 | 0 | 0 | 114.1 | H987 L988 | F985-H987 VanDerWaalsContact C-N 3.25Å; F985-H987 PolarHBondContact O-N 3.37Å; F985-L988 HydrophobicContact CD1-CD1 3.47Å; F985-L988 VanDerWaalsContact CD1-CD1 3.47Å; F985-L988 HydrophobicContact CE1-CD1 3.83Å; F985-L988 HydrophobicContact CG-CD1 4.44Å |
| 986 | G | 28.5 | Very low | 29.9 | Very low | 58 Ų | 58 | 114.8 Ų | 114.8 | 60% | 0.598 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 3.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 987 | H | 32.6 | Very low | 30.3 | Very low | 178 Ų | 178 | 112 Ų | 112 | 82% | 0.824 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 0.3 | -173.3 | -56.2 | -36.7 | 0 | 0 | 0 | 114.5 | F985 | F985-H987 VanDerWaalsContact C-N 3.25Å; F985-H987 PolarHBondContact O-N 3.37Å |
| 988 | L | 23.9 | Very low | 30.9 | Very low | 82 Ų | 82 | 109.3 Ų | 109.3 | 43% | 0.429 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -68.9 | 142.5 | 161.2 | -77.7 | 143.3 | 0 | 0 | 0 | 107.9 | F985 F991 | F985-L988 HydrophobicContact CD1-CD1 3.47Å; F985-L988 VanDerWaalsContact CD1-CD1 3.47Å; F985-L988 HydrophobicContact CE1-CD1 3.83Å; F985-L988 HydrophobicContact CG-CD1 4.44Å; L988-F991 HydrophobicContact CB-CE2 4.09Å; L988-F991 HydrophobicContact CD1-CE2 4.13Å; L988-F991 HydrophobicContact CD2-CE2 3.91Å; L988-F991 HydrophobicContact CD2-CZ 4.04Å; L988-F991 HydrophobicContact CG-CE2 4.26Å |
| 989 | P | 24 | Very low | 31.6 | Very low | 96 Ų | 96 | 111 Ų | 111 | 62% | 0.623 | 60% | 0.596 | S | S | * | * | trans | -57 | 149 | 170.2 | 27.6 | -34.6 | 0 | 0 | 0 | 108.6 | F991 | P989-F991 PolarHBondContact O-N 3.32Š| ||
| 990 | P | 29.5 | Very low | 32.1 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 71% | 0.708 | 59% | 0.591 | S | S | * | * | trans | -56.3 | 113.5 | 178.4 | 23.8 | -33.1 | 0 | 0 | 0 | 108.6 | I992 | P990-I992 PolarHBondContact O-N 2.77Š| ||
| 991 | F | 26.2 | Very low | 32.7 | Very low | 162 Ų | 162 | 107.9 Ų | 107.9 | 71% | 0.711 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 82.5 | -174.5 | -93.1 | -75.6 | 0 | 0 | 0 | 110.6 | L988 P989 | L988-F991 HydrophobicContact CB-CE2 4.09Å; L988-F991 HydrophobicContact CD1-CE2 4.13Å; L988-F991 HydrophobicContact CD2-CE2 3.91Å; L988-F991 HydrophobicContact CD2-CZ 4.04Å; L988-F991 HydrophobicContact CG-CE2 4.26Å; P989-F991 PolarHBondContact O-N 3.32Å |
| 992 | I | 28.5 | Very low | 33.6 | Very low | 140 Ų | 140 | 106.4 Ų | 106.4 | 72% | 0.718 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.5 | 100.3 | -163.1 | -59.5 | 174.1 | 0 | 0 | 0 | 110.4 | P990 Y994 | P990-I992 PolarHBondContact O-N 2.77Å; I992-Y994 WeakPolarHBondContact O-CD2 3.13Å; I992-Y994 PolarHBondContact O-N 2.84Å |
| 993 | S | 27.2 | Very low | 34.3 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 67% | 0.671 | 54% | 0.537 | S | S | * | . | trans | -49.1 | 106.9 | 162.6 | 173 | 0 | 0 | 0 | 0 | 108 | S995 | S993-S995 PolarHBondContact O-N 3.38Š| ||
| 994 | Y | 28.9 | Very low | 34.8 | Very low | 134 Ų | 134 | 104 Ų | 104 | 53% | 0.525 | 53% | 0.529 | S | S | . | . | trans | -65.6 | 92.5 | 175.6 | -75.4 | -90.9 | 0 | 0 | 0 | 107.8 | I992 | I992-Y994 WeakPolarHBondContact O-CD2 3.13Å; I992-Y994 PolarHBondContact O-N 2.84Å | ||
| 995 | S | 28.6 | Very low | 35.1 | Very low | 66 Ų | 66 | 102.6 Ų | 102.6 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | trans | -40 | 164.1 | 140.7 | 59.2 | 0 | 0 | 0 | 0 | 109.3 | S993 D998 | S993-S995 PolarHBondContact O-N 3.38Å; S995-D998 WeakPolarHBondContact CA-OD2 2.96Å; S995-D998 VanDerWaalsContact CB-OD2 3.27Å; S995-D998 WeakPolarHBondContact CB-OD2 3.31Å | ||
| 996 | K | 33.1 | Very low | 36 | Very low | 143 Ų | 143 | 98.8 Ų | 98.8 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | trans | -61.4 | -172.2 | 156.6 | -51.5 | 171.8 | -161.6 | 140.8 | 0 | 108.2 | D998 | K996-D998 HydrophobicContact CB-CB 4.25Å; K996-D998 VanDerWaalsContact CD-OD1 3.3Å; K996-D998 WeakPolarHBondContact CD-OD1 3.48Å; K996-D998 PolarHBondContact N-OD2 3.15Å; K996-D998 IonicContact NZ-OD1 3.63Å; K996-D998 PolarHBondContact NZ-OD1 2.95Å; K996-D998 PolarHBondContact O-N 3.43Å | ||
| 997 | I | 37 | Very low | 37.1 | Very low | 60 Ų | 60 | 99.9 Ų | 99.9 | 31% | 0.308 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -67.1 | 79.9 | 136.5 | -54.3 | 170.3 | 0 | 0 | 0 | 103.9 | F1002 H1199 D1452 | I997-F1002 HydrophobicContact CG2-CD2 4.37Å; I997-F1002 HydrophobicContact CG2-CE2 3.93Å; I997-H1199 WeakPolarHBondContact CG2-NE2 3.42Å; I997-D1452 WeakPolarHBondContact CD1-OD1 3.4Å |
| 998 | D | 40.8 | Very low | 37.6 | Very low | 42 Ų | 42 | 97.6 Ų | 97.6 | 23% | 0.225 | 49% | 0.487 | C | S | . | . | trans | -69.4 | 157 | -170.1 | -101.1 | -56.3 | 0 | 0 | 0 | 108.6 | S995 K996 E1000 F1001 | S995-D998 WeakPolarHBondContact CA-OD2 2.96Å; S995-D998 VanDerWaalsContact CB-OD2 3.27Å; S995-D998 WeakPolarHBondContact CB-OD2 3.31Å; K996-D998 HydrophobicContact CB-CB 4.25Å; K996-D998 VanDerWaalsContact CD-OD1 3.3Å; K996-D998 WeakPolarHBondContact CD-OD1 3.48Å; K996-D998 PolarHBondContact N-OD2 3.15Å; K996-D998 IonicContact NZ-OD1 3.63Å; K996-D998 PolarHBondContact NZ-OD1 2.95Å; K996-D998 PolarHBondContact O-N 3.43Å; D998-E1000 HydrophobicContact CB-CB 4.12Å; D998-E1000 PolarHBondContact O-N 3.48Å; D998-F1001 PolarHBondContact O-N 3.19Å | ||
| 999 | E | 42.6 | Very low | 38.6 | Very low | 157 Ų | 157 | 95.4 Ų | 95.4 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -50.4 | -30.4 | 172.1 | -65.4 | 175.9 | 151.9 | 0 | 0 | 109.4 | F1001 F1002 K1003 | E999-F1001 VanDerWaalsContact C-N 3.31Å; E999-F1001 PolarHBondContact O-N 3.34Å; E999-F1001 VanDerWaalsContact O-N 3.16Å; E999-F1002 PolarHBondContact O-N 2.79Å; E999-K1003 WeakPolarHBondContact O-CA 3.32Å; E999-K1003 WeakPolarHBondContact O-CB 3.38Å; E999-K1003 PolarHBondContact O-N 3.43Å |
| 1000 | E | 40.9 | Very low | 39.5 | Very low | 107 Ų | 107 | 95.6 Ų | 95.6 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -48.9 | -30.8 | 170.5 | -155.8 | -174 | 153.1 | 0 | 0 | 116.8 | D998 K1004 | D998-E1000 HydrophobicContact CB-CB 4.12Å; D998-E1000 PolarHBondContact O-N 3.48Å; E1000-K1004 HydrophobicContact CG-CD 4.32Å; E1000-K1004 WeakPolarHBondContact O-CB 3.23Å; E1000-K1004 WeakPolarHBondContact O-CG 3.39Å; E1000-K1004 PolarHBondContact O-N 3Å; E1000-K1004 WeakPolarHBondContact OE1-CE 3.41Å; E1000-K1004 IonicContact OE1-NZ 2.6Å; E1000-K1004 PolarHBondContact OE1-NZ 2.67Å |
| 1001 | F | 44.8 | Very low | 40.3 | Very low | 63 Ų | 63 | 96.7 Ų | 96.7 | 28% | 0.276 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75.7 | -55 | 173.9 | 172 | -101.9 | 0 | 0 | 0 | 111.3 | D998 E999 K1003 K1004 L1005 C1455 | D998-F1001 PolarHBondContact O-N 3.19Å; E999-F1001 VanDerWaalsContact C-N 3.31Å; E999-F1001 PolarHBondContact O-N 3.34Å; E999-F1001 VanDerWaalsContact O-N 3.16Å; F1001-K1003 PolarHBondContact O-N 2.62Å; F1001-K1004 PolarHBondContact O-N 3.13Å; F1001-K1004 VanDerWaalsContact O-N 3.14Å; F1001-L1005 PolarHBondContact O-N 3.35Å; F1001-C1455 HydrophobicContact CE1-CB 4.4Å; F1001-C1455 HydrophobicContact CZ-CB 4.1Å |
| 1002 | F | 49 | Very low | 40.9 | Very low | 27 Ų | 27 | 92.6 Ų | 92.6 | 12% | 0.118 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.2 | -28.5 | 177.3 | -76.1 | -77.5 | 0 | 0 | 0 | 111.8 | I997 E999 D1006 H1199 F1451 | I997-F1002 HydrophobicContact CG2-CD2 4.37Å; I997-F1002 HydrophobicContact CG2-CE2 3.93Å; E999-F1002 PolarHBondContact O-N 2.79Å; F1002-D1006 WeakPolarHBondContact O-CB 3.22Å; F1002-D1006 PolarHBondContact O-N 2.81Å; F1002-H1199 HydrophobicContact CE2-CB 4.21Å; F1002-H1199 AromaticContact CE2-CD2 3.72Å; F1002-H1199 AromaticContact CE2-CE1 3.57Å; F1002-H1199 AromaticContact CE2-CG 3.52Å; F1002-H1199 AromaticContact CE2-ND1 3.43Å; F1002-H1199 WeakPolarHBondContact CE2-ND1 3.23Å; F1002-H1199 AromaticContact CE2-NE2 3.76Å; F1002-H1199 HydrophobicContact CZ-CB 3.87Å; F1002-H1199 AromaticContact CZ-CG 3.71Å; F1002-H1199 AromaticContact CZ-ND1 3.9Å; F1002-F1451 HydrophobicContact CZ-CZ 4.5Å |
| 1003 | K | 51.8 | Low | 41.4 | Very low | 120 Ų | 120 | 89.9 Ų | 89.9 | 52% | 0.522 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76.4 | -38.1 | 172.7 | -174.2 | -173.3 | 172.1 | -169.6 | 0 | 111.4 | E999 F1001 L1005 D1006 D1007 | E999-K1003 WeakPolarHBondContact O-CA 3.32Å; E999-K1003 WeakPolarHBondContact O-CB 3.38Å; E999-K1003 PolarHBondContact O-N 3.43Å; F1001-K1003 PolarHBondContact O-N 2.62Å; K1003-L1005 VanDerWaalsContact C-N 3.25Å; K1003-L1005 PolarHBondContact O-N 3.03Å; K1003-D1006 PolarHBondContact O-N 3.11Å; K1003-D1007 WeakPolarHBondContact CE-OD2 3.32Å; K1003-D1007 WeakPolarHBondContact CG-OD2 3.46Å; K1003-D1007 WeakPolarHBondContact O-CA 3.13Å; K1003-D1007 WeakPolarHBondContact O-CB 3.33Å; K1003-D1007 PolarHBondContact O-N 3.39Å |
| 1004 | K | 46.3 | Very low | 41.9 | Very low | 124 Ų | 124 | 88.7 Ų | 88.7 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.3 | -33.9 | 169.4 | -82.4 | 170.3 | -177.8 | 167.1 | 0 | 111.9 | E1000 F1001 Y1008 | E1000-K1004 HydrophobicContact CG-CD 4.32Å; E1000-K1004 WeakPolarHBondContact O-CB 3.23Å; E1000-K1004 WeakPolarHBondContact O-CG 3.39Å; E1000-K1004 PolarHBondContact O-N 3Å; E1000-K1004 WeakPolarHBondContact OE1-CE 3.41Å; E1000-K1004 IonicContact OE1-NZ 2.6Å; E1000-K1004 PolarHBondContact OE1-NZ 2.67Å; F1001-K1004 PolarHBondContact O-N 3.13Å; F1001-K1004 VanDerWaalsContact O-N 3.14Å; K1004-Y1008 WeakPolarHBondContact O-CB 3.45Å; K1004-Y1008 PolarHBondContact O-N 2.66Å |
| 1005 | L | 43.6 | Very low | 42.3 | Very low | 60 Ų | 60 | 84.7 Ų | 84.7 | 31% | 0.314 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.6 | -51.9 | 173.8 | -165.7 | 85.6 | 0 | 0 | 0 | 111.4 | F1001 K1003 Y1008 I1009 Y1192 | F1001-L1005 PolarHBondContact O-N 3.35Å; K1003-L1005 VanDerWaalsContact C-N 3.25Å; K1003-L1005 PolarHBondContact O-N 3.03Å; L1005-Y1008 PolarHBondContact O-N 3.28Å; L1005-I1009 HydrophobicContact CG-CD1 4.23Å; L1005-I1009 WeakPolarHBondContact O-CD1 3.46Å; L1005-I1009 VanDerWaalsContact O-CG1 3.23Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.25Å; L1005-I1009 PolarHBondContact O-N 2.99Å; L1005-Y1192 HydrophobicContact CD2-CD2 4.25Å; L1005-Y1192 HydrophobicContact CD2-CE2 3.77Å |
| 1006 | D | 48.9 | Very low | 42.5 | Very low | 50 Ų | 50 | 85.3 Ų | 85.3 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.7 | -32.2 | 179.5 | -69.6 | -8.7 | 0 | 0 | 0 | 110.9 | F1002 K1003 I1009 H1010 Y1192 R1196 | F1002-D1006 WeakPolarHBondContact O-CB 3.22Å; F1002-D1006 PolarHBondContact O-N 2.81Å; K1003-D1006 PolarHBondContact O-N 3.11Å; D1006-I1009 PolarHBondContact O-N 3.47Å; D1006-H1010 VanDerWaalsContact O-CB 3.23Å; D1006-H1010 WeakPolarHBondContact O-CB 3.45Å; D1006-H1010 PolarHBondContact O-N 2.75Å; D1006-Y1192 PolarHBondContact OD1-OH 2.95Å; D1006-R1196 IonicContact OD1-NH1 2.65Å; D1006-R1196 IonicContact OD2-NH1 3.35Å; D1006-R1196 PolarHBondContact OD2-NH1 3.36Å; D1006-R1196 VanDerWaalsContact OD2-NH1 3.11Å |
| 1007 | D | 50.1 | Low | 42.6 | Very low | 81 Ų | 81 | 83 Ų | 83 | 43% | 0.433 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 171.2 | -73.2 | -18.2 | 0 | 0 | 0 | 110.3 | K1003 H1010 E1011 | K1003-D1007 WeakPolarHBondContact CE-OD2 3.32Å; K1003-D1007 WeakPolarHBondContact CG-OD2 3.46Å; K1003-D1007 WeakPolarHBondContact O-CA 3.13Å; K1003-D1007 WeakPolarHBondContact O-CB 3.33Å; K1003-D1007 PolarHBondContact O-N 3.39Å; D1007-H1010 CarbonylContact O-C 3.45Å; D1007-H1010 PolarHBondContact O-N 3.42Å; D1007-E1011 VanDerWaalsContact O-CB 3.27Å; D1007-E1011 WeakPolarHBondContact O-CB 3.45Å; D1007-E1011 PolarHBondContact O-N 3.12Å |
| 1008 | Y | 43.7 | Very low | 42.3 | Very low | 131 Ų | 131 | 88.6 Ų | 88.6 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 174.6 | -177.5 | -95.9 | 0 | 0 | 0 | 111.7 | K1004 L1005 F1012 | K1004-Y1008 WeakPolarHBondContact O-CB 3.45Å; K1004-Y1008 PolarHBondContact O-N 2.66Å; L1005-Y1008 PolarHBondContact O-N 3.28Å; Y1008-F1012 WeakPolarHBondContact O-CB 3.5Å; Y1008-F1012 PolarHBondContact O-N 3.3Å |
| 1009 | I | 44.3 | Very low | 41.7 | Very low | 36 Ų | 36 | 93.3 Ų | 93.3 | 19% | 0.185 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 169.4 | -69.7 | 159 | 0 | 0 | 0 | 110.1 | L1005 D1006 F1012 E1013 I1180 Y1192 | L1005-I1009 HydrophobicContact CG-CD1 4.23Å; L1005-I1009 WeakPolarHBondContact O-CD1 3.46Å; L1005-I1009 VanDerWaalsContact O-CG1 3.23Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.25Å; L1005-I1009 PolarHBondContact O-N 2.99Å; D1006-I1009 PolarHBondContact O-N 3.47Å; I1009-F1012 WeakPolarHBondContact O-CB 3.23Å; I1009-F1012 PolarHBondContact O-N 2.92Å; I1009-E1013 WeakPolarHBondContact O-CG 3.44Å; I1009-E1013 PolarHBondContact O-N 3.35Å; I1009-I1180 HydrophobicContact CD1-CD1 3.56Å; I1009-I1180 HydrophobicContact CG1-CD1 3.94Å; I1009-I1180 HydrophobicContact CG2-CD1 4.1Å; I1009-I1180 HydrophobicContact CG2-CG2 4.26Å; I1009-Y1192 HydrophobicContact CD1-CE2 4.36Å |
| 1010 | H | 43.6 | Very low | 41.1 | Very low | 100 Ų | 100 | 91.3 Ų | 91.3 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.4 | -30.5 | -179.1 | -158.9 | -22.5 | 0 | 0 | 0 | 112.4 | D1006 D1007 E1013 N1014 | D1006-H1010 VanDerWaalsContact O-CB 3.23Å; D1006-H1010 WeakPolarHBondContact O-CB 3.45Å; D1006-H1010 PolarHBondContact O-N 2.75Å; D1007-H1010 CarbonylContact O-C 3.45Å; D1007-H1010 PolarHBondContact O-N 3.42Å; H1010-E1013 PolarHBondContact O-N 2.92Å; H1010-N1014 PolarHBondContact ND1-ND2 2.76Å; H1010-N1014 PolarHBondContact ND1-OD1 2.95Å; H1010-N1014 VanDerWaalsContact O-CB 3.26Å; H1010-N1014 WeakPolarHBondContact O-CB 3.45Å; H1010-N1014 PolarHBondContact O-N 3.43Å; H1010-N1014 PolarHBondContact O-ND2 3.18Å |
| 1011 | E | 46.1 | Very low | 40.5 | Very low | 132 Ų | 132 | 93.9 Ų | 93.9 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.9 | -41.1 | 170.3 | -176.2 | 169.6 | -140.6 | 0 | 0 | 110.8 | D1007 N1014 S1015 | D1007-E1011 VanDerWaalsContact O-CB 3.27Å; D1007-E1011 WeakPolarHBondContact O-CB 3.45Å; D1007-E1011 PolarHBondContact O-N 3.12Å; E1011-N1014 PolarHBondContact O-N 3.01Å; E1011-S1015 VanDerWaalsContact O-CB 3.31Å; E1011-S1015 WeakPolarHBondContact O-CB 3.08Å; E1011-S1015 PolarHBondContact O-N 3.43Å |
| 1012 | F | 40.1 | Very low | 39.7 | Very low | 76 Ų | 76 | 94.9 Ų | 94.9 | 33% | 0.333 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 171.5 | -175.1 | -97.9 | 0 | 0 | 0 | 111.8 | Y1008 I1009 S1015 K1016 | Y1008-F1012 WeakPolarHBondContact O-CB 3.5Å; Y1008-F1012 PolarHBondContact O-N 3.3Å; I1009-F1012 WeakPolarHBondContact O-CB 3.23Å; I1009-F1012 PolarHBondContact O-N 2.92Å; F1012-S1015 PolarHBondContact O-N 2.92Å; F1012-S1015 PolarHBondContact O-OG 3.31Å; F1012-K1016 PolarHBondContact O-N 2.85Å |
| 1013 | E | 38.2 | Very low | 38.5 | Very low | 83 Ų | 83 | 101.2 Ų | 101.2 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 173.1 | -72.3 | -178 | 163.8 | 0 | 0 | 112.4 | I1009 H1010 S1015 K1016 I1017 | I1009-E1013 WeakPolarHBondContact O-CG 3.44Å; I1009-E1013 PolarHBondContact O-N 3.35Å; H1010-E1013 PolarHBondContact O-N 2.92Å; E1013-S1015 PolarHBondContact O-N 2.82Å; E1013-K1016 WeakPolarHBondContact O-CB 3.44Å; E1013-K1016 PolarHBondContact O-N 2.96Å; E1013-I1017 PolarHBondContact O-N 3.26Å; E1013-I1017 VanDerWaalsContact O-N 3.15Å |
| 1014 | N | 37.1 | Very low | 37.2 | Very low | 71 Ų | 71 | 100.2 Ų | 100.2 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -31.1 | 176 | -71.4 | -27.8 | 0 | 0 | 0 | 111.9 | H1010 E1011 K1016 I1017 K1018 | H1010-N1014 PolarHBondContact ND1-ND2 2.76Å; H1010-N1014 PolarHBondContact ND1-OD1 2.95Å; H1010-N1014 VanDerWaalsContact O-CB 3.26Å; H1010-N1014 WeakPolarHBondContact O-CB 3.45Å; H1010-N1014 PolarHBondContact O-N 3.43Å; H1010-N1014 PolarHBondContact O-ND2 3.18Å; E1011-N1014 PolarHBondContact O-N 3.01Å; N1014-K1016 PolarHBondContact O-N 3.34Å; N1014-I1017 PolarHBondContact O-N 3.18Å; N1014-K1018 PolarHBondContact O-N 3.21Å |
| 1015 | S | 38.6 | Very low | 36.2 | Very low | 50 Ų | 50 | 99.7 Ų | 99.7 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.3 | -20.9 | 174.2 | 85.4 | 0 | 0 | 0 | 0 | 113.5 | E1011 F1012 E1013 | E1011-S1015 VanDerWaalsContact O-CB 3.31Å; E1011-S1015 WeakPolarHBondContact O-CB 3.08Å; E1011-S1015 PolarHBondContact O-N 3.43Å; F1012-S1015 PolarHBondContact O-N 2.92Å; F1012-S1015 PolarHBondContact O-OG 3.31Å; E1013-S1015 PolarHBondContact O-N 2.82Å |
| 1016 | K | 32.6 | Very low | 35.4 | Very low | 78 Ų | 78 | 103.9 Ų | 103.9 | 34% | 0.339 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -82 | -40.5 | 167.8 | -70.6 | -171.7 | 172.3 | -170.2 | 0 | 111.7 | N475 F1012 E1013 N1014 K1018 F1019 | N475-K1016 PolarHBondContact OD1-NZ 3.49Å; F1012-K1016 PolarHBondContact O-N 2.85Å; E1013-K1016 WeakPolarHBondContact O-CB 3.44Å; E1013-K1016 PolarHBondContact O-N 2.96Å; N1014-K1016 PolarHBondContact O-N 3.34Å; K1016-K1018 PolarHBondContact O-N 3.35Å; K1016-F1019 PolarHBondContact O-N 2.87Å |
| 1017 | I | 34.5 | Very low | 34.3 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.7 | -34.2 | -176.5 | -63.4 | 167.9 | 0 | 0 | 0 | 112.1 | E1013 N1014 F1019 T1020 | E1013-I1017 PolarHBondContact O-N 3.26Å; E1013-I1017 VanDerWaalsContact O-N 3.15Å; N1014-I1017 PolarHBondContact O-N 3.18Å; I1017-F1019 PolarHBondContact O-N 2.97Å; I1017-F1019 VanDerWaalsContact O-N 3.09Å; I1017-T1020 PolarHBondContact O-N 3.47Å; I1017-T1020 PolarHBondContact O-OG1 3.18Å |
| 1018 | K | 30.1 | Very low | 33.1 | Very low | 176 Ų | 176 | 108.6 Ų | 108.6 | 77% | 0.765 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -10.5 | 175.8 | -80.8 | -171.5 | 172.9 | -176.7 | 0 | 115.3 | N1014 K1016 | N1014-K1018 PolarHBondContact O-N 3.21Å; K1016-K1018 PolarHBondContact O-N 3.35Å |
| 1019 | F | 29.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 107.2 Ų | 107.2 | 62% | 0.618 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 0.5 | 173.1 | -85.9 | -86.7 | 0 | 0 | 0 | 114.1 | K1016 I1017 I1478 | K1016-F1019 PolarHBondContact O-N 2.87Å; I1017-F1019 PolarHBondContact O-N 2.97Å; I1017-F1019 VanDerWaalsContact O-N 3.09Å; F1019-I1478 HydrophobicContact CE1-CG2 4.3Å |
| 1020 | T | 28.7 | Very low | 31.3 | Very low | 115 Ų | 115 | 112 Ų | 112 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -109 | 5.4 | -177.8 | 42.3 | 0 | 0 | 0 | 0 | 115.8 | I1017 | I1017-T1020 PolarHBondContact O-N 3.47Å; I1017-T1020 PolarHBondContact O-OG1 3.18Å |
| 1021 | E | 28.1 | Very low | 30.5 | Very low | 162 Ų | 162 | 112.5 Ų | 112.5 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -117.2 | 4.8 | 178.6 | -66.1 | -171.9 | 136.5 | 0 | 0 | 114.3 | ||
| 1022 | A | 27.6 | Very low | 29.5 | Very low | 84 Ų | 84 | 113.4 Ų | 113.4 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -82.5 | -28.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1024 | A1022-S1024 PolarHBondContact O-N 3.4Š|
| 1023 | D | 25.1 | Very low | 29 | Very low | 159 Ų | 159 | 115.7 Ų | 115.7 | 85% | 0.85 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -96.6 | 60.2 | -169.4 | -72.2 | -37.9 | 0 | 0 | 0 | 113.9 | ||
| 1024 | S | 23.9 | Very low | 28.5 | Very low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | trans | -156.2 | 56.3 | 173.3 | 58.6 | 0 | 0 | 0 | 0 | 118 | A1022 | A1022-S1024 PolarHBondContact O-N 3.4Š| ||
| 1025 | S | 24.8 | Very low | 28.1 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | trans | -170.7 | 78.4 | 151 | 35.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1026 | T | 27.4 | Very low | 27.5 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 91% | 0.908 | 72% | 0.722 | S | S | * | * | trans | -136 | 126.7 | 145.7 | 38.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1027 | V | 26.4 | Very low | 27.7 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -123.2 | 129.6 | -165.6 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1028 | S | 23.9 | Very low | 27.3 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 66.7 | 150.1 | 167.7 | 77.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1029 | S | 23.6 | Very low | 27.4 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | cis | -157.5 | 134.4 | 33.2 | -71.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1030 | T | 26.7 | Very low | 27.3 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | trans | -171.6 | 89.8 | 143.7 | 29.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1031 | T | 27.4 | Very low | 27.2 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | 85.8 | 105.6 | 90.1 | 51.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1032 | I | 25.4 | Very low | 27.3 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 68 | 122.4 | 137.4 | -56.3 | 164.1 | 0 | 0 | 0 | 115.5 | ||||
| 1033 | T | 29.4 | Very low | 27.4 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | cis | -138.1 | 131.5 | 48.1 | 51.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1034 | N | 27 | Very low | 27.8 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | 4.6 | 154.3 | 117.6 | -79.3 | 60.4 | 0 | 0 | 0 | 119.8 | |||||
| 1035 | D | 29.1 | Very low | 28.2 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | cis | -142.4 | 165.6 | 20.4 | -87.2 | -55.2 | 0 | 0 | 0 | 114.6 | ||||
| 1036 | N | 26.7 | Very low | 28.6 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -107.7 | 152.8 | 163.9 | -95.4 | -40.9 | 0 | 0 | 0 | 108.6 | ||||
| 1037 | P | 35.6 | Very low | 28.7 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | -161.3 | 157.3 | 70.7 | 39.8 | -16.9 | 0 | 0 | 0 | 121.5 | |||||
| 1038 | I | 27.7 | Very low | 28.9 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | 54.1 | 117.1 | 135.5 | -53.9 | 163.4 | 0 | 0 | 0 | 122.4 | ||||
| 1039 | H | 30.6 | Very low | 29.3 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | 178.4 | 124.2 | 113.6 | -100.5 | -66.8 | 0 | 0 | 0 | 109.3 | |||||
| 1040 | N | 27.8 | Very low | 29.6 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | 68.5 | 148.1 | 86.1 | -69.7 | 48.8 | 0 | 0 | 0 | 114.2 | |||||
| 1041 | C | 26.3 | Very low | 29.7 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | cis | -160.3 | 145.7 | 6.7 | -129.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1042 | S | 31.8 | Very low | 29.6 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | 135.2 | 162.4 | 92.8 | -86.8 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1043 | D | 28.9 | Very low | 29.7 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | cis | -168.7 | -175.1 | -25.1 | -90 | -27.8 | 0 | 0 | 0 | 108.6 | ||||
| 1044 | N | 32.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | 91.3 | 106.6 | 170.6 | -46.5 | -5.8 | 0 | 0 | 0 | 115 | ||||
| 1045 | D | 33.9 | Very low | 29.6 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | 95.8 | 139.9 | 57.4 | -66.8 | -16.9 | 0 | 0 | 0 | 110.6 | |||||
| 1046 | D | 33 | Very low | 29.3 | Very low | 147 Ų | 147 | 129 Ų | 129 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | cis | -133.4 | 142.3 | 12.4 | -90.6 | -51 | 0 | 0 | 0 | 110.1 | ||||
| 1047 | E | 29.6 | Very low | 29.4 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | 82.5 | 132.6 | 71 | -101.6 | -78.7 | 103.9 | 0 | 0 | 116.5 | K1049 | E1047-K1049 IonicContact OE1-NZ 3.43Å; E1047-K1049 PolarHBondContact OE1-NZ 3.09Å; E1047-K1049 IonicContact OE2-NZ 2.69Å; E1047-K1049 PolarHBondContact OE2-NZ 3Å | |||
| 1048 | G | 30.9 | Very low | 28.8 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 124.6 | 60 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1049 | K | 30.7 | Very low | 28.6 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | 82.7 | 138.5 | 77.3 | -90.4 | -166.6 | 178.1 | 73.7 | 0 | 118.2 | E1047 | E1047-K1049 IonicContact OE1-NZ 3.43Å; E1047-K1049 PolarHBondContact OE1-NZ 3.09Å; E1047-K1049 IonicContact OE2-NZ 2.69Å; E1047-K1049 PolarHBondContact OE2-NZ 3Å | |||
| 1050 | N | 31.2 | Very low | 28.4 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | trans | 73.5 | 142.5 | 163 | -55.3 | 9.3 | 0 | 0 | 0 | 118 | ||||
| 1051 | D | 27.9 | Very low | 28.2 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | cis | -160.8 | -174.2 | -14.3 | -102.3 | -36.1 | 0 | 0 | 0 | 111.2 | ||||
| 1052 | A | 25.9 | Very low | 28.2 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -53.1 | 173.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1053 | E | 27.5 | Very low | 28 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | cis | -168.9 | 134.8 | 34.5 | -165.4 | -178.1 | -167 | 0 | 0 | 116.1 | ||||
| 1054 | T | 25.6 | Very low | 28 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | 52.8 | 153.6 | 153.3 | 68.1 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1055 | K | 28.4 | Very low | 27.7 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 83.5 | 85.7 | 150.1 | -78.1 | 159.9 | -176 | 164.1 | 0 | 121.7 | ||||
| 1056 | S | 23 | Very low | 27.4 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | 39.6 | 117.4 | 124.5 | 64.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1057 | K | 27.7 | Very low | 27.1 | Very low | 211 Ų | 211 | 132 Ų | 132 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | -168.3 | 169.4 | 104.8 | -106.8 | 177 | -178.6 | -177 | 0 | 113.8 | |||||
| 1058 | L | 22.7 | Very low | 27.1 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -64.2 | 163.3 | -174.6 | -133.7 | 77.1 | 0 | 0 | 0 | 115.1 | ||||
| 1059 | L | 23.9 | Very low | 27.1 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | 71.7 | 125.4 | 168.6 | -51.1 | 168.4 | 0 | 0 | 0 | 115.2 | ||||
| 1060 | Q | 27 | Very low | 27 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | -155.4 | 144.3 | 57.8 | -77.5 | -178.4 | -19.9 | 0 | 0 | 114.2 | S1062 | Q1060-S1062 PolarHBondContact O-N 3.21Å; Q1060-S1062 PolarHBondContact OE1-OG 2.9Å | |||
| 1061 | S | 24.4 | Very low | 27 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 90% | 0.895 | 73% | 0.725 | S | S | * | * | trans | -94.2 | 56.6 | 172.4 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1062 | S | 25.1 | Very low | 27.1 | Very low | 72 Ų | 72 | 130 Ų | 130 | 50% | 0.503 | 72% | 0.715 | S | S | . | * | trans | -109.9 | 2.2 | -168.3 | 55.4 | 0 | 0 | 0 | 0 | 116.2 | Q1060 | Q1060-S1062 PolarHBondContact O-N 3.21Å; Q1060-S1062 PolarHBondContact OE1-OG 2.9Å | ||
| 1063 | L | 27.8 | Very low | 27.3 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -102.3 | -15.2 | -170.8 | -94.6 | 163.6 | 0 | 0 | 0 | 116.5 | ||
| 1064 | L | 28.2 | Very low | 27.2 | Very low | 151 Ų | 151 | 127 Ų | 127 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -80.4 | -38 | -174.4 | -143.5 | 72.4 | 0 | 0 | 0 | 113.2 | S1066 L1067 | L1064-S1066 PolarHBondContact O-N 3.41Å; L1064-L1067 PolarHBondContact O-N 3.01Å |
| 1065 | S | 27.7 | Very low | 27.4 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.4 | -21.9 | -178.2 | -45.6 | 0 | 0 | 0 | 0 | 114 | ||
| 1066 | S | 27.9 | Very low | 27.5 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 56% | 0.559 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.1 | -15.5 | -174.6 | -160.5 | 0 | 0 | 0 | 0 | 114 | L1064 | L1064-S1066 PolarHBondContact O-N 3.41Å |
| 1067 | L | 26.1 | Very low | 27.8 | Very low | 133 Ų | 133 | 122 Ų | 122 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -88.7 | -38.9 | -176.9 | -84.1 | 158.5 | 0 | 0 | 0 | 113.6 | L1064 | L1064-L1067 PolarHBondContact O-N 3.01Å |
| 1068 | M | 29 | Very low | 27.8 | Very low | 153 Ų | 153 | 116 Ų | 116 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.2 | -47.5 | 176.9 | -76.3 | -71.7 | -144.1 | 0 | 0 | 112 | R1070 S1071 C1072 | M1068-R1070 VanDerWaalsContact C-N 3.3Å; M1068-R1070 PolarHBondContact O-N 3.21Å; M1068-S1071 PolarHBondContact O-N 3.21Å; M1068-C1072 PolarHBondContact O-N 3.01Å |
| 1069 | V | 31.6 | Very low | 28.2 | Very low | 95 Ų | 95 | 115.3 Ų | 115.3 | 58% | 0.576 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.4 | -34.4 | -173.8 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1070 | R | 27.9 | Very low | 28.4 | Very low | 177 Ų | 177 | 111.2 Ų | 111.2 | 67% | 0.668 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.6 | -42.8 | 177.7 | -105.2 | 165.2 | 72 | 169.5 | -0 | 112.8 | M1068 C1072 N1073 D1074 | M1068-R1070 VanDerWaalsContact C-N 3.3Å; M1068-R1070 PolarHBondContact O-N 3.21Å; R1070-C1072 PolarHBondContact O-N 3.17Å; R1070-C1072 VanDerWaalsContact O-N 3.17Å; R1070-N1073 PolarHBondContact O-N 2.85Å; R1070-D1074 VanDerWaalsContact O-CG 3.26Å; R1070-D1074 PolarHBondContact O-N 2.9Å |
| 1071 | S | 30.9 | Very low | 28.5 | Very low | 87 Ų | 87 | 111 Ų | 111 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.2 | -22.9 | -178.9 | -169.9 | 0 | 0 | 0 | 0 | 114.2 | M1068 | M1068-S1071 PolarHBondContact O-N 3.21Å |
| 1072 | C | 29.9 | Very low | 28.8 | Very low | 83 Ų | 83 | 110.3 Ų | 110.3 | 56% | 0.561 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -84 | -35.3 | 176.3 | -71.9 | 0 | 0 | 0 | 0 | 113 | M1068 R1070 | M1068-C1072 PolarHBondContact O-N 3.01Å; R1070-C1072 PolarHBondContact O-N 3.17Å; R1070-C1072 VanDerWaalsContact O-N 3.17Å |
| 1073 | N | 30.4 | Very low | 29 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 46% | 0.46 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -73.9 | -43.7 | 177.6 | -72.2 | -10.3 | 0 | 0 | 0 | 111.5 | R1070 A1075 L1076 D1077 | R1070-N1073 PolarHBondContact O-N 2.85Å; N1073-A1075 PolarHBondContact O-N 2.97Å; N1073-L1076 PolarHBondContact O-N 3.32Å; N1073-D1077 PolarHBondContact O-N 2.76Å |
| 1074 | D | 26.8 | Very low | 29.1 | Very low | 109 Ų | 109 | 116.3 Ų | 116.3 | 58% | 0.583 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.5 | -23.4 | 178.3 | -64.9 | -17.3 | 0 | 0 | 0 | 112.4 | R1070 | R1070-D1074 VanDerWaalsContact O-CG 3.26Å; R1070-D1074 PolarHBondContact O-N 2.9Å |
| 1075 | A | 27.9 | Very low | 29.2 | Very low | 53 Ų | 53 | 114.9 Ų | 114.9 | 44% | 0.438 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -81.3 | -29.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1073 S1078 | N1073-A1075 PolarHBondContact O-N 2.97Å; A1075-S1078 PolarHBondContact O-OG 3.48Å |
| 1076 | L | 31.6 | Very low | 29.2 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 56% | 0.555 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.3 | -39.8 | -174.9 | -77.1 | 167.3 | 0 | 0 | 0 | 112.7 | N1073 S1078 I1079 | N1073-L1076 PolarHBondContact O-N 3.32Å; L1076-S1078 PolarHBondContact O-N 3.08Å; L1076-S1078 VanDerWaalsContact O-N 3.15Å; L1076-I1079 PolarHBondContact O-N 3.19Å |
| 1077 | D | 28.4 | Very low | 29.3 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 69% | 0.69 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -60.9 | -25.3 | 175.6 | -76.3 | -18.3 | 0 | 0 | 0 | 112.4 | N1073 I1079 S1080 | N1073-D1077 PolarHBondContact O-N 2.76Å; D1077-I1079 PolarHBondContact O-N 2.79Å; D1077-S1080 PolarHBondContact O-N 3.32Å; D1077-S1080 PolarHBondContact O-OG 2.92Å; D1077-S1080 VanDerWaalsContact O-OG 3.1Å |
| 1078 | S | 28.3 | Very low | 29.6 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 59% | 0.594 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -66.9 | -16.6 | 176.1 | 85.2 | 0 | 0 | 0 | 0 | 114.3 | A1075 L1076 | A1075-S1078 PolarHBondContact O-OG 3.48Å; L1076-S1078 PolarHBondContact O-N 3.08Å; L1076-S1078 VanDerWaalsContact O-N 3.15Å |
| 1079 | I | 30.9 | Very low | 29.5 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 70% | 0.697 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -103.7 | 39.3 | 179.2 | -39.1 | -175.4 | 0 | 0 | 0 | 110.9 | L1076 D1077 | L1076-I1079 PolarHBondContact O-N 3.19Å; D1077-I1079 PolarHBondContact O-N 2.79Å |
| 1080 | S | 27.8 | Very low | 29.3 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | trans | -59.6 | 135.2 | 165.4 | -72.2 | 0 | 0 | 0 | 0 | 111.2 | D1077 N1082 | D1077-S1080 PolarHBondContact O-N 3.32Å; D1077-S1080 PolarHBondContact O-OG 2.92Å; D1077-S1080 VanDerWaalsContact O-OG 3.1Å; S1080-N1082 PolarHBondContact O-N 3.39Å | ||
| 1081 | L | 30.3 | Very low | 29.2 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 83% | 0.827 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -8.8 | -173.4 | -96.2 | 160.6 | 0 | 0 | 0 | 115.9 | R1083 | L1081-R1083 PolarHBondContact O-N 2.94Š|
| 1082 | N | 30.8 | Very low | 28.9 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.1 | -11.6 | -178.4 | -60.4 | -22.2 | 0 | 0 | 0 | 114.5 | S1080 L1086 | S1080-N1082 PolarHBondContact O-N 3.39Å; N1082-L1086 PolarHBondContact O-N 3.31Å |
| 1083 | R | 28.9 | Very low | 28.7 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.1 | -10.1 | -178.3 | -88.5 | -164.8 | 175 | -143.2 | -0.1 | 115.8 | L1081 I1087 | L1081-R1083 PolarHBondContact O-N 2.94Å; R1083-I1087 WeakPolarHBondContact O-CD1 3.35Å; R1083-I1087 WeakPolarHBondContact O-CG1 3.17Å |
| 1084 | L | 30 | Very low | 28.5 | Very low | 146 Ų | 146 | 134 Ų | 134 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -83 | -39.8 | 168.8 | -117 | 68.5 | 0 | 0 | 0 | 111.9 | ||
| 1085 | D | 30.5 | Very low | 28.6 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -70 | -39.9 | 178.3 | -68.8 | -34.2 | 0 | 0 | 0 | 112.4 | I1087 H1088 Q1089 | D1085-I1087 VanDerWaalsContact C-N 3.33Å; D1085-I1087 PolarHBondContact O-N 3.45Å; D1085-H1088 PolarHBondContact O-N 3.01Å; D1085-H1088 VanDerWaalsContact O-N 3.14Å; D1085-Q1089 PolarHBondContact O-N 3.18Å |
| 1086 | L | 27.8 | Very low | 28.5 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 49% | 0.492 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -66 | -30.5 | 177.5 | -101.5 | 77.5 | 0 | 0 | 0 | 113.8 | N1082 H1088 Q1089 Q1090 | N1082-L1086 PolarHBondContact O-N 3.31Å; L1086-H1088 PolarHBondContact O-N 2.84Å; L1086-Q1089 CarbonylContact O-C 3.3Å; L1086-Q1089 PolarHBondContact O-N 3.09Å; L1086-Q1090 PolarHBondContact O-N 3.48Å |
| 1087 | I | 29.7 | Very low | 28.4 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -70.4 | -24.4 | 176.7 | -70.4 | 175.9 | 0 | 0 | 0 | 111 | R1083 D1085 Q1089 | R1083-I1087 WeakPolarHBondContact O-CD1 3.35Å; R1083-I1087 WeakPolarHBondContact O-CG1 3.17Å; D1085-I1087 VanDerWaalsContact C-N 3.33Å; D1085-I1087 PolarHBondContact O-N 3.45Å; I1087-Q1089 VanDerWaalsContact C-N 3.26Å; I1087-Q1089 PolarHBondContact O-N 3.41Å |
| 1088 | H | 32.1 | Very low | 28.3 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -2.7 | 171 | -145.2 | -52.5 | 0 | 0 | 0 | 113.7 | D1085 L1086 | D1085-H1088 PolarHBondContact O-N 3.01Å; D1085-H1088 VanDerWaalsContact O-N 3.14Å; L1086-H1088 PolarHBondContact O-N 2.84Å |
| 1089 | Q | 27.6 | Very low | 28.5 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -126.5 | 8 | -175.6 | -148.5 | 177 | 25.6 | 0 | 0 | 114.4 | D1085 L1086 I1087 | D1085-Q1089 PolarHBondContact O-N 3.18Å; L1086-Q1089 CarbonylContact O-C 3.3Å; L1086-Q1089 PolarHBondContact O-N 3.09Å; I1087-Q1089 VanDerWaalsContact C-N 3.26Å; I1087-Q1089 PolarHBondContact O-N 3.41Å |
| 1090 | Q | 26.1 | Very low | 28.1 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -129.5 | 34.5 | -178.1 | -147.5 | 166.2 | 57.9 | 0 | 0 | 115 | L1086 | L1086-Q1090 PolarHBondContact O-N 3.48Š|
| 1091 | Q | 26.9 | Very low | 27.9 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -121.7 | 158.1 | 149.7 | -71.8 | -171.9 | -14.3 | 0 | 0 | 108.9 | ||
| 1092 | C | 24.6 | Very low | 27.7 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | 70.6 | 54.6 | 179.5 | -56.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1093 | Q | 25.2 | Very low | 27.5 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -135.4 | 80.5 | 139.4 | -78.4 | -152.8 | 9 | 0 | 0 | 112.1 | ||||
| 1094 | N | 26.6 | Very low | 27.3 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -151.5 | 134.6 | 143.2 | -127.7 | -25.2 | 0 | 0 | 0 | 109.2 | ||
| 1095 | S | 28.2 | Very low | 27.1 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 56.5 | 113.2 | -174.1 | 60.6 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1096 | G | 26.3 | Very low | 26.9 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 114.8 | 78.4 | 136.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1097 | S | 29 | Very low | 26.9 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 69.5 | 123.4 | 139.9 | -55 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1098 | H | 27.2 | Very low | 26.8 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | 22 | 139.4 | 134.6 | -47.4 | -76.1 | 0 | 0 | 0 | 120.6 | ||||
| 1099 | S | 31 | Very low | 26.4 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | cis | -159 | 177.5 | 12.1 | 53 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1100 | S | 23.6 | Very low | 26.4 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -85.4 | 152.6 | -168.4 | -27.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1101 | C | 23.7 | Very low | 26.3 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | -175.3 | 140.3 | 117.8 | 57.5 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1102 | S | 25.5 | Very low | 26.2 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 46.6 | 132.9 | 139.2 | -52.3 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1103 | N | 26.5 | Very low | 26.4 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -43.5 | 138 | 168 | -44.7 | -24.8 | 0 | 0 | 0 | 116.7 | ||||
| 1104 | H | 24.2 | Very low | 26.3 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | 174.7 | 128.2 | 108.4 | -110.7 | -88.3 | 0 | 0 | 0 | 114.5 | |||||
| 1105 | S | 26.8 | Very low | 26.4 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 47.7 | 157.4 | 145.7 | 56.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 1106 | H | 25.6 | Very low | 26.3 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 73% | 0.731 | 79% | 0.794 | S | S | * | * | trans | 83.9 | 114.4 | 165.7 | -129.9 | -84.4 | 0 | 0 | 0 | 117.6 | T1108 | H1106-T1108 PolarHBondContact CE1-OG1 2.96Å; H1106-T1108 PolarHBondContact ND1-OG1 3.34Å | ||
| 1107 | L | 29 | Very low | 26.3 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -138.6 | 107.5 | 157.6 | -95.8 | 174.7 | 0 | 0 | 0 | 108.8 | ||||
| 1108 | T | 26.1 | Very low | 26.1 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 49% | 0.491 | 80% | 0.801 | S | S | . | * | trans | -126.3 | 174.5 | 162.7 | 49.2 | 0 | 0 | 0 | 0 | 107.5 | H1106 | H1106-T1108 PolarHBondContact CE1-OG1 2.96Å; H1106-T1108 PolarHBondContact ND1-OG1 3.34Å | ||
| 1109 | D | 24.9 | Very low | 26 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | 73.6 | 102.4 | 163.4 | -43.6 | -39.9 | 0 | 0 | 0 | 117 | ||||
| 1110 | F | 27.8 | Very low | 25.6 | Very low | 213 Ų | 213 | 136 Ų | 136 | 93% | 0.934 | 80% | 0.798 | S | S | * | * | trans | -131 | 117.2 | 146 | -99.6 | -78.7 | 0 | 0 | 0 | 109.2 | ||||
| 1111 | S | 24 | Very low | 25.7 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -152 | 133.9 | 164.9 | -82.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1112 | S | 24.7 | Very low | 25.8 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 45.4 | 101.2 | 161.8 | 59.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1113 | T | 29 | Very low | 25.8 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | -131.9 | 144 | 125.4 | 47 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1114 | S | 23.4 | Very low | 25.9 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -108.6 | 123.4 | -173.9 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1115 | S | 28.1 | Very low | 26.1 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -149 | 147.2 | 160.7 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1116 | T | 25.2 | Very low | 26.4 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | trans | -100.4 | 112.8 | -167.8 | 35.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1117 | Q | 26.5 | Very low | 26.8 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -161.8 | 125.5 | 156.2 | -115.4 | 152.9 | 72.9 | 0 | 0 | 114.2 | ||||
| 1118 | S | 25.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 45 | 75.1 | 160.5 | -147.8 | 0 | 0 | 0 | 0 | 118.2 | K1120 | S1118-K1120 VanDerWaalsContact C-N 3.28Å; S1118-K1120 PolarHBondContact O-N 2.85Å | ||
| 1119 | A | 23.8 | Very low | 29 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | trans | -70.2 | 81.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1120 | K | 24.6 | Very low | 30.5 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | -74.2 | 137 | 161.1 | -83.3 | -174.3 | 174.2 | -179.8 | 0 | 109.2 | S1118 Y1122 | S1118-K1120 VanDerWaalsContact C-N 3.28Å; S1118-K1120 PolarHBondContact O-N 2.85Å; K1120-Y1122 PolarHBondContact O-N 3.2Å | ||
| 1121 | H | 24.9 | Very low | 32.4 | Very low | 191 Ų | 191 | 115.3 Ų | 115.3 | 88% | 0.884 | 71% | 0.709 | S | S | * | * | trans | -57.6 | 97.4 | 176.5 | -69.7 | -103.1 | 0 | 0 | 0 | 111.4 | S1123 | H1121-S1123 VanDerWaalsContact C-N 3.32Å; H1121-S1123 PolarHBondContact O-N 3.22Å | ||
| 1122 | Y | 25.8 | Very low | 35.1 | Very low | 210 Ų | 210 | 110.6 Ų | 110.6 | 82% | 0.824 | 68% | 0.675 | S | S | * | * | trans | -81 | 90 | 152.7 | -95.7 | -83.6 | 0 | 0 | 0 | 107.9 | K1120 N1124 | K1120-Y1122 PolarHBondContact O-N 3.2Å; Y1122-N1124 PolarHBondContact O-N 2.9Å; Y1122-N1124 VanDerWaalsContact O-N 3.1Å | ||
| 1123 | S | 24.4 | Very low | 37.9 | Very low | 88 Ų | 88 | 105.7 Ų | 105.7 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | trans | -54.7 | 113.1 | 155.9 | 48.6 | 0 | 0 | 0 | 0 | 107.7 | H1121 S1125 | H1121-S1123 VanDerWaalsContact C-N 3.32Å; H1121-S1123 PolarHBondContact O-N 3.22Å; S1123-S1125 PolarHBondContact O-N 2.87Å; S1123-S1125 PolarHBondContact O-OG 2.9Å | ||
| 1124 | N | 30.2 | Very low | 40.7 | Very low | 145 Ų | 145 | 101 Ų | 101 | 78% | 0.775 | 61% | 0.614 | S | S | * | * | trans | -72.9 | 61.5 | 170.2 | -90.2 | -16.7 | 0 | 0 | 0 | 110.2 | Y1122 V1126 | Y1122-N1124 PolarHBondContact O-N 2.9Å; Y1122-N1124 VanDerWaalsContact O-N 3.1Å; N1124-V1126 HydrophobicContact CB-CG2 4.25Å; N1124-V1126 PolarHBondContact O-N 3.02Å | ||
| 1125 | S | 27.3 | Very low | 43.8 | Very low | 101 Ų | 101 | 95.2 Ų | 95.2 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | trans | -70.2 | 62.6 | 159.6 | 57.3 | 0 | 0 | 0 | 0 | 108.7 | S1123 G1127 | S1123-S1125 PolarHBondContact O-N 2.87Å; S1123-S1125 PolarHBondContact O-OG 2.9Å; S1125-G1127 PolarHBondContact O-N 3.48Å; S1125-G1127 VanDerWaalsContact O-N 3.11Å | ||
| 1126 | V | 34.3 | Very low | 46.7 | Very low | 101 Ų | 101 | 89.2 Ų | 89.2 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | trans | -62 | 111.1 | 171.5 | 171.8 | 0 | 0 | 0 | 0 | 106.2 | N1124 V1128 | N1124-V1126 HydrophobicContact CB-CG2 4.25Å; N1124-V1126 PolarHBondContact O-N 3.02Å; V1126-V1128 HydrophobicContact CG1-CB 4.1Å; V1126-V1128 HydrophobicContact CG1-CG2 3.59Å; V1126-V1128 PolarHBondContact O-N 3.09Å | ||
| 1127 | G | 33.9 | Very low | 49.7 | Very low | 85 Ų | 85 | 83.8 Ų | 83.8 | 88% | 0.876 | 50% | 0.5 | S | S | * | . | trans | -72.6 | 44.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1125 | S1125-G1127 PolarHBondContact O-N 3.48Å; S1125-G1127 VanDerWaalsContact O-N 3.11Å | ||
| 1128 | V | 46.5 | Very low | 52.7 | Low | 103 Ų | 103 | 75 Ų | 75 | 62% | 0.624 | 46% | 0.459 | S | S | * | . | trans | -101.7 | 141.4 | -175.1 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | V1126 | V1126-V1128 HydrophobicContact CG1-CB 4.1Å; V1126-V1128 HydrophobicContact CG1-CG2 3.59Å; V1126-V1128 PolarHBondContact O-N 3.09Å | ||
| 1129 | A | 53.2 | Low | 55.7 | Low | 27 Ų | 27 | 70.1 Ų | 70.1 | 22% | 0.223 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 64.7 | 31.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | G1131 I1132 S1137 | A1129-G1131 PolarHBondContact O-N 3.02Å; A1129-I1132 PolarHBondContact O-N 3.26Å; A1129-S1137 WeakPolarHBondContact CB-OG 3.34Å |
| 1130 | G | 57.7 | Low | 58.9 | Low | 27 Ų | 27 | 65.1 Ų | 65.1 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 25.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | H464 V1188 | H464-G1130 WeakPolarHBondContact CA-O 3.45Å; G1130-V1188 VanDerWaalsContact O-CG2 3.31Å; G1130-V1188 WeakPolarHBondContact O-CG2 3.28Å |
| 1131 | G | 67.7 | Low | 61.9 | Low | 23 Ų | 23 | 60.5 Ų | 60.5 | 24% | 0.237 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | A1129 G1133 | A1129-G1131 PolarHBondContact O-N 3.02Å; G1131-G1133 VanDerWaalsContact C-N 3.26Å |
| 1132 | I | 79.9 | Confident | 64.9 | Low | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -75 | -20.6 | 170.5 | -37.9 | 161 | 0 | 0 | 0 | 111.5 | H458 L459 H464 A1129 L1136 L1140 F1175 V1188 N1189 | H458-I1132 WeakPolarHBondContact CB-O 3.27Å; L459-I1132 HydrophobicContact CD2-CG2 3.93Å; H464-I1132 HydrophobicContact CB-CG1 4.42Å; A1129-I1132 PolarHBondContact O-N 3.26Å; I1132-L1136 HydrophobicContact CG2-CB 3.69Å; I1132-L1136 HydrophobicContact CG2-CD1 3.64Å; I1132-L1136 HydrophobicContact CG2-CG 4.32Å; I1132-L1140 HydrophobicContact CD1-CD1 4.17Å; I1132-F1175 HydrophobicContact CB-CZ 4.36Å; I1132-F1175 HydrophobicContact CD1-CE2 4.27Å; I1132-F1175 HydrophobicContact CD1-CZ 3.74Å; I1132-F1175 HydrophobicContact CG1-CE2 4.11Å; I1132-F1175 HydrophobicContact CG1-CZ 3.91Å; I1132-F1175 HydrophobicContact CG2-CE1 3.73Å; I1132-F1175 HydrophobicContact CG2-CE2 4.02Å; I1132-F1175 HydrophobicContact CG2-CZ 3.42Å; I1132-F1175 VanDerWaalsContact CG2-CZ 3.42Å; I1132-V1188 HydrophobicContact CD1-CG1 3.56Å; I1132-V1188 HydrophobicContact CG1-CG1 3.64Å; I1132-N1189 WeakPolarHBondContact CD1-O 3.36Å |
| 1133 | G | 83.9 | Confident | 67.9 | Low | 10 Ų | 10 | 41.6 Ų | 41.6 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | trans | 92.7 | 161.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1131 F1135 S1137 | G1131-G1133 VanDerWaalsContact C-N 3.26Å; G1133-F1135 PolarHBondContact O-N 3.1Å; G1133-S1137 VanDerWaalsContact O-CB 3.24Å; G1133-S1137 WeakPolarHBondContact O-CB 3.44Å; G1133-S1137 PolarHBondContact O-N 3.17Å; G1133-S1137 VanDerWaalsContact O-N 3.15Å | ||
| 1134 | P | 87.4 | Confident | 71 | Confident | 50 Ų | 50 | 38.1 Ų | 38.1 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | -171.1 | 22.7 | -33.1 | 0 | 0 | 0 | 113.6 | M414 S1137 I1138 | M414-P1134 HydrophobicContact CE-CB 3.99Å; M414-P1134 HydrophobicContact CE-CG 3.5Å; M414-P1134 VanDerWaalsContact CE-CG 3.5Å; M414-P1134 HydrophobicContact SD-CB 3.78Å; M414-P1134 HydrophobicContact SD-CG 3.65Å; P1134-S1137 WeakPolarHBondContact O-CB 3.48Å; P1134-S1137 PolarHBondContact O-N 2.69Å; P1134-I1138 WeakPolarHBondContact O-CD1 3.43Å; P1134-I1138 WeakPolarHBondContact O-CG1 3.11Å; P1134-I1138 PolarHBondContact O-N 3.5Å |
| 1135 | F | 90.1 | Very high | 73.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -58.3 | -175.3 | -175.4 | -114.3 | 0 | 0 | 0 | 112.4 | M414 L417 F439 L443 L454 I455 G1133 S1137 I1138 L1139 L1164 | M414-F1135 HydrophobicContact SD-CB 3.72Å; M414-F1135 HydrophobicContact SD-CD2 4.43Å; M414-F1135 PolarHBondContact SD-N 3.16Å; M414-F1135 VanDerWaalsContact SD-N 3.44Å; L417-F1135 HydrophobicContact CD1-CD2 4.16Å; L417-F1135 HydrophobicContact CD1-CE2 4.05Å; F439-F1135 HydrophobicContact CB-CE2 4.29Å; F439-F1135 HydrophobicContact CB-CZ 4.42Å; F439-F1135 HydrophobicContact CD1-CD2 4.48Å; F439-F1135 AromaticContact CD1-CE2 3.6Å; F439-F1135 HydrophobicContact CD1-CE2 3.6Å; F439-F1135 HydrophobicContact CD1-CZ 4.09Å; F439-F1135 HydrophobicContact CD2-CE2 4.08Å; F439-F1135 HydrophobicContact CE1-CD2 4.32Å; F439-F1135 AromaticContact CE1-CE2 3.87Å; F439-F1135 HydrophobicContact CE1-CE2 3.87Å; F439-F1135 HydrophobicContact CE2-CE2 4.3Å; F439-F1135 AromaticContact CG-CE2 3.73Å; F439-F1135 HydrophobicContact CG-CE2 3.73Å; F439-F1135 HydrophobicContact CG-CZ 4.27Å; F439-F1135 HydrophobicContact CZ-CD2 4.45Å; F439-F1135 HydrophobicContact CZ-CE2 4.21Å; L443-F1135 HydrophobicContact CD1-CE1 4.35Å; L443-F1135 HydrophobicContact CD1-CZ 4.09Å; L454-F1135 HydrophobicContact CB-CB 4.42Å; L454-F1135 HydrophobicContact CB-CD1 4.03Å; L454-F1135 HydrophobicContact CB-CG 4.22Å; L454-F1135 HydrophobicContact CD1-CD1 4.37Å; L454-F1135 HydrophobicContact CD1-CE1 4.18Å; L454-F1135 HydrophobicContact CD1-CE2 4.35Å; L454-F1135 HydrophobicContact CD1-CZ 4.17Å; L454-F1135 HydrophobicContact CD2-CB 4.06Å; L454-F1135 HydrophobicContact CD2-CD1 4.4Å; L454-F1135 HydrophobicContact CD2-CD2 3.85Å; L454-F1135 HydrophobicContact CD2-CE2 4.4Å; L454-F1135 HydrophobicContact CD2-CG 3.86Å; L454-F1135 HydrophobicContact CG-CG 4.45Å; I455-F1135 HydrophobicContact CD1-CD1 4.28Å; I455-F1135 HydrophobicContact CD1-CE1 4.33Å; I455-F1135 HydrophobicContact CG1-CD1 4.05Å; G1133-F1135 PolarHBondContact O-N 3.1Å; F1135-S1137 VanDerWaalsContact C-N 3.31Å; F1135-S1137 PolarHBondContact O-N 3.01Å; F1135-I1138 PolarHBondContact O-N 3.47Å; F1135-L1139 HydrophobicContact CD1-CD1 4.04Å; F1135-L1139 HydrophobicContact CE1-CD1 3.58Å; F1135-L1139 HydrophobicContact CE2-CD1 4.17Å; F1135-L1139 HydrophobicContact CZ-CD1 3.65Å; F1135-L1139 HydrophobicContact CZ-CG 4.5Å; F1135-L1139 WeakPolarHBondContact O-CG 3.4Å; F1135-L1139 PolarHBondContact O-N 2.88Å; F1135-L1139 VanDerWaalsContact O-N 3.12Å; F1135-L1164 HydrophobicContact CE1-CD1 4.39Å |
| 1136 | L | 89.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -37.2 | 177.9 | -76.1 | 172.7 | 0 | 0 | 0 | 112 | I455 I1132 I1138 L1139 L1140 L1164 F1175 | I455-L1136 HydrophobicContact CD1-CD2 4.42Å; I455-L1136 HydrophobicContact CG1-CD1 4.15Å; I455-L1136 HydrophobicContact CG1-CG 4.17Å; I455-L1136 HydrophobicContact CG2-CD1 3.93Å; I1132-L1136 HydrophobicContact CG2-CB 3.69Å; I1132-L1136 HydrophobicContact CG2-CD1 3.64Å; I1132-L1136 HydrophobicContact CG2-CG 4.32Å; L1136-I1138 PolarHBondContact O-N 3.1Å; L1136-L1139 PolarHBondContact O-N 3.22Å; L1136-L1140 VanDerWaalsContact O-CB 3.3Å; L1136-L1140 WeakPolarHBondContact O-CB 3.21Å; L1136-L1140 VanDerWaalsContact O-CG 3.26Å; L1136-L1140 WeakPolarHBondContact O-CG 3.42Å; L1136-L1140 PolarHBondContact O-N 3.09Å; L1136-L1164 HydrophobicContact CD2-CD1 3.91Å; L1136-F1175 HydrophobicContact CD1-CE1 4.26Å |
| 1137 | S | 87.8 | Confident | 78.7 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.6 | -50.3 | 172.9 | 173.1 | 0 | 0 | 0 | 0 | 112.6 | A1129 G1133 P1134 F1135 L1140 N1141 | A1129-S1137 WeakPolarHBondContact CB-OG 3.34Å; G1133-S1137 VanDerWaalsContact O-CB 3.24Å; G1133-S1137 WeakPolarHBondContact O-CB 3.44Å; G1133-S1137 PolarHBondContact O-N 3.17Å; G1133-S1137 VanDerWaalsContact O-N 3.15Å; P1134-S1137 WeakPolarHBondContact O-CB 3.48Å; P1134-S1137 PolarHBondContact O-N 2.69Å; F1135-S1137 VanDerWaalsContact C-N 3.31Å; F1135-S1137 PolarHBondContact O-N 3.01Å; S1137-L1140 PolarHBondContact O-N 3.14Å; S1137-N1141 VanDerWaalsContact O-CB 3.29Å; S1137-N1141 WeakPolarHBondContact O-CB 3.46Å; S1137-N1141 PolarHBondContact O-N 3.21Å |
| 1138 | I | 88 | Confident | 80.8 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.8 | -42.9 | -174.4 | -60.9 | 160.6 | 0 | 0 | 0 | 109.6 | M414 L417 N418 P1134 F1135 L1136 L1140 N1141 R1142 | M414-I1138 HydrophobicContact CG-CD1 4.03Å; L417-I1138 HydrophobicContact CB-CB 4.42Å; L417-I1138 HydrophobicContact CB-CG2 3.49Å; L417-I1138 VanDerWaalsContact CB-CG2 3.49Å; N418-I1138 WeakPolarHBondContact ND2-CD1 3.41Å; P1134-I1138 WeakPolarHBondContact O-CD1 3.43Å; P1134-I1138 WeakPolarHBondContact O-CG1 3.11Å; P1134-I1138 PolarHBondContact O-N 3.5Å; F1135-I1138 PolarHBondContact O-N 3.47Å; L1136-I1138 PolarHBondContact O-N 3.1Å; I1138-L1140 PolarHBondContact O-N 3.38Å; I1138-N1141 PolarHBondContact O-N 2.85Å; I1138-R1142 HydrophobicContact CG2-CG 4.43Å; I1138-R1142 WeakPolarHBondContact O-CG 3.32Å; I1138-R1142 PolarHBondContact O-N 3.14Å |
| 1139 | L | 90.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 174.8 | -66.8 | 176.8 | 0 | 0 | 0 | 112.1 | L436 F1135 L1136 N1141 R1142 L1143 L1157 I1160 F1161 L1164 | L436-L1139 HydrophobicContact CD2-CD2 3.94Å; F1135-L1139 HydrophobicContact CD1-CD1 4.04Å; F1135-L1139 HydrophobicContact CE1-CD1 3.58Å; F1135-L1139 HydrophobicContact CE2-CD1 4.17Å; F1135-L1139 HydrophobicContact CZ-CD1 3.65Å; F1135-L1139 HydrophobicContact CZ-CG 4.5Å; F1135-L1139 WeakPolarHBondContact O-CG 3.4Å; F1135-L1139 PolarHBondContact O-N 2.88Å; F1135-L1139 VanDerWaalsContact O-N 3.12Å; L1136-L1139 PolarHBondContact O-N 3.22Å; L1139-N1141 PolarHBondContact O-N 2.88Å; L1139-R1142 PolarHBondContact O-N 3.43Å; L1139-L1143 WeakPolarHBondContact O-CB 3.16Å; L1139-L1143 PolarHBondContact O-N 2.66Å; L1139-L1157 HydrophobicContact CD2-CD2 3.79Å; L1139-I1160 HydrophobicContact CD1-CG2 3.74Å; L1139-I1160 HydrophobicContact CD2-CG2 4.34Å; L1139-F1161 HydrophobicContact CB-CE1 4.47Å; L1139-F1161 HydrophobicContact CB-CE2 3.79Å; L1139-F1161 HydrophobicContact CB-CZ 3.56Å; L1139-L1164 HydrophobicContact CD1-CD1 4.33Å |
| 1140 | L | 90 | Very high | 83.5 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.2 | -38 | 178.8 | -74 | 167.5 | 0 | 0 | 0 | 112 | I1132 L1136 S1137 I1138 L1143 A1144 F1161 F1175 N1189 L1191 V1194 | I1132-L1140 HydrophobicContact CD1-CD1 4.17Å; L1136-L1140 VanDerWaalsContact O-CB 3.3Å; L1136-L1140 WeakPolarHBondContact O-CB 3.21Å; L1136-L1140 VanDerWaalsContact O-CG 3.26Å; L1136-L1140 WeakPolarHBondContact O-CG 3.42Å; L1136-L1140 PolarHBondContact O-N 3.09Å; S1137-L1140 PolarHBondContact O-N 3.14Å; I1138-L1140 PolarHBondContact O-N 3.38Å; L1140-L1143 PolarHBondContact O-N 3.29Å; L1140-A1144 WeakPolarHBondContact O-CB 3.4Å; L1140-A1144 PolarHBondContact O-N 2.91Å; L1140-F1161 HydrophobicContact CD2-CE1 3.8Å; L1140-F1161 HydrophobicContact CD2-CZ 3.68Å; L1140-F1161 HydrophobicContact CG-CE1 4.14Å; L1140-F1161 HydrophobicContact CG-CZ 3.84Å; L1140-F1175 HydrophobicContact CD1-CZ 4.45Å; L1140-N1189 WeakPolarHBondContact CD1-O 3.32Å; L1140-L1191 HydrophobicContact CD2-CB 4.4Å; L1140-L1191 HydrophobicContact CD2-CD1 4.2Å; L1140-V1194 HydrophobicContact CB-CG2 4.33Å; L1140-V1194 HydrophobicContact CD2-CG2 4.13Å |
| 1141 | N | 88.1 | Confident | 84.3 | Confident | 75 Ų | 75 | 20.1 Ų | 20.1 | 40% | 0.401 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -68.8 | -36.2 | 176.2 | -170.7 | 30.6 | 0 | 0 | 0 | 112.5 | S1137 I1138 L1139 N1145 | S1137-N1141 VanDerWaalsContact O-CB 3.29Å; S1137-N1141 WeakPolarHBondContact O-CB 3.46Å; S1137-N1141 PolarHBondContact O-N 3.21Å; I1138-N1141 PolarHBondContact O-N 2.85Å; L1139-N1141 PolarHBondContact O-N 2.88Å; N1141-N1145 PolarHBondContact O-ND2 3.37Å |
| 1142 | R | 87.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.015 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69 | -39.9 | 172.2 | -65.5 | -170.8 | 93.8 | -177.3 | 3.1 | 111.8 | L417 N420 G432 L436 I1138 L1139 N1145 N1149 L1157 | L417-R1142 VanDerWaalsContact O-CD 3.27Å; L417-R1142 WeakPolarHBondContact O-CD 3.34Å; L417-R1142 PolarHBondContact O-NE 3.39Å; N420-R1142 PolarHBondContact OD1-NE 2.83Å; N420-R1142 PolarHBondContact OD1-NH2 3.14Å; N420-R1142 VanDerWaalsContact OD1-NH2 3.08Å; G432-R1142 PolarHBondContact O-NH1 2.61Å; L436-R1142 VanDerWaalsContact CD1-NH1 3.25Å; I1138-R1142 HydrophobicContact CG2-CG 4.43Å; I1138-R1142 WeakPolarHBondContact O-CG 3.32Å; I1138-R1142 PolarHBondContact O-N 3.14Å; L1139-R1142 PolarHBondContact O-N 3.43Å; R1142-N1145 PolarHBondContact O-N 3.16Å; R1142-N1149 PolarHBondContact O-ND2 3.41Å; R1142-L1157 HydrophobicContact CB-CD1 3.74Å; R1142-L1157 HydrophobicContact CB-CD2 4.01Å |
| 1143 | L | 89.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 175 | -174.6 | 67.4 | 0 | 0 | 0 | 111.5 | L1139 L1140 N1145 M1146 F1161 L1191 V1194 V1198 F1454 | L1139-L1143 WeakPolarHBondContact O-CB 3.16Å; L1139-L1143 PolarHBondContact O-N 2.66Å; L1140-L1143 PolarHBondContact O-N 3.29Å; L1143-N1145 PolarHBondContact O-N 3.27Å; L1143-M1146 HydrophobicContact CD1-CE 4Å; L1143-M1146 HydrophobicContact CD1-SD 4.31Å; L1143-M1146 WeakPolarHBondContact O-CB 3.38Å; L1143-M1146 PolarHBondContact O-N 2.69Å; L1143-F1161 HydrophobicContact CB-CE2 3.95Å; L1143-F1161 HydrophobicContact CD2-CD2 3.96Å; L1143-F1161 HydrophobicContact CD2-CE2 3.8Å; L1143-F1161 HydrophobicContact CD2-CZ 4.33Å; L1143-F1161 HydrophobicContact CG-CE2 4.4Å; L1143-L1191 HydrophobicContact CD2-CD1 3.51Å; L1143-V1194 HydrophobicContact CB-CG1 4.06Å; L1143-V1194 HydrophobicContact CD2-CG1 3.89Å; L1143-V1194 HydrophobicContact CG-CG1 3.86Å; L1143-V1198 VanDerWaalsContact O-CG2 3.23Å; L1143-V1198 WeakPolarHBondContact O-CG2 3.39Å; L1143-F1454 HydrophobicContact CD1-CE1 4.46Å; L1143-F1454 HydrophobicContact CD2-CE1 4.3Å |
| 1144 | A | 88.1 | Confident | 84.8 | Confident | 15 Ų | 15 | 20.9 Ų | 20.9 | 12% | 0.124 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -10.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1140 V1194 Q1201 | L1140-A1144 WeakPolarHBondContact O-CB 3.4Å; L1140-A1144 PolarHBondContact O-N 2.91Å; A1144-V1194 HydrophobicContact CB-CG1 3.96Å; A1144-V1194 HydrophobicContact CB-CG2 4.41Å; A1144-Q1201 PolarHBondContact O-NE2 2.89Å; A1144-Q1201 PolarHBondContact O-OE1 3.41Å |
| 1145 | N | 86.7 | Confident | 84.4 | Confident | 56 Ų | 56 | 20 Ų | 20 | 30% | 0.299 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 23.5 | 177.1 | -75.8 | -84.9 | 0 | 0 | 0 | 112.7 | N1141 R1142 L1143 H1147 N1148 N1149 | N1141-N1145 PolarHBondContact O-ND2 3.37Å; R1142-N1145 PolarHBondContact O-N 3.16Å; L1143-N1145 PolarHBondContact O-N 3.27Å; N1145-H1147 PolarHBondContact O-N 2.93Å; N1145-N1148 PolarHBondContact O-N 3.46Å; N1145-N1149 PolarHBondContact O-N 3.23Å |
| 1146 | M | 84.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -38.6 | -174.8 | -150.6 | 176.5 | -154.2 | 0 | 0 | 114.1 | L1143 N1148 N1154 T1158 V1198 A1447 I1450 F1451 | L1143-M1146 HydrophobicContact CD1-CE 4Å; L1143-M1146 HydrophobicContact CD1-SD 4.31Å; L1143-M1146 WeakPolarHBondContact O-CB 3.38Å; L1143-M1146 PolarHBondContact O-N 2.69Å; M1146-N1148 VanDerWaalsContact C-N 3.33Å; M1146-N1148 PolarHBondContact O-N 3.21Å; M1146-N1154 HydrophobicContact CE-CB 4.3Å; M1146-N1154 HydrophobicContact CG-CB 4.35Å; M1146-N1154 VanDerWaalsContact CG-CG 3.5Å; M1146-N1154 WeakPolarHBondContact CG-OD1 3.47Å; M1146-N1154 PolarHBondContact O-ND2 3.28Å; M1146-T1158 HydrophobicContact CE-CG2 3.66Å; M1146-V1198 HydrophobicContact CB-CG1 3.79Å; M1146-V1198 HydrophobicContact CB-CG2 4.37Å; M1146-V1198 HydrophobicContact SD-CG1 3.93Å; M1146-A1447 HydrophobicContact CG-CB 4.27Å; M1146-A1447 WeakPolarHBondContact O-CB 3.34Å; M1146-I1450 HydrophobicContact CE-CB 4.25Å; M1146-I1450 HydrophobicContact CE-CG2 3.62Å; M1146-F1451 HydrophobicContact SD-CB 3.99Å; M1146-F1451 HydrophobicContact SD-CD2 4Å |
| 1147 | H | 82 | Confident | 84 | Confident | 45 Ų | 45 | 20.4 Ų | 20.4 | 21% | 0.208 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22.3 | -179.1 | 69 | -92.4 | 0 | 0 | 0 | 114.6 | N1145 Q1201 L1444 | N1145-H1147 PolarHBondContact O-N 2.93Å; H1147-Q1201 PolarHBondContact CE1-OE1 3.35Å; H1147-Q1201 PolarHBondContact ND1-OE1 3.44Å; H1147-L1444 HydrophobicContact CB-CD1 3.79Å |
| 1148 | N | 80.1 | Confident | 84 | Confident | 63 Ų | 63 | 19.5 Ų | 19.5 | 34% | 0.337 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -26.8 | 177.7 | -71.9 | -45.1 | 0 | 0 | 0 | 112.9 | N1145 M1146 | N1145-N1148 PolarHBondContact O-N 3.46Å; M1146-N1148 VanDerWaalsContact C-N 3.33Å; M1146-N1148 PolarHBondContact O-N 3.21Å |
| 1149 | N | 80.2 | Confident | 83.7 | Confident | 13 Ų | 13 | 19.3 Ų | 19.3 | 7% | 0.07 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -60 | 164 | 172.7 | -66 | -22.5 | 0 | 0 | 0 | 111.4 | R1142 N1145 T1153 N1154 N1443 | R1142-N1149 PolarHBondContact O-ND2 3.41Å; N1145-N1149 PolarHBondContact O-N 3.23Å; N1149-T1153 HydrophobicContact CB-CG2 4.1Å; N1149-N1154 WeakPolarHBondContact CB-OD1 2.91Å; N1149-N1154 PolarHBondContact ND2-OD1 3.5Å; N1149-N1443 WeakPolarHBondContact O-CB 3.24Å; N1149-N1443 PolarHBondContact O-ND2 3.11Å; N1149-N1443 VanDerWaalsContact O-ND2 3.1Å |
| 1150 | C | 74.6 | Confident | 83.6 | Confident | 8 Ų | 8 | 19.3 Ų | 19.3 | 5% | 0.054 | 10% | 0.101 | C | C | . | . | trans | -84.9 | 164.2 | 166.9 | 96.2 | 0 | 0 | 0 | 0 | 111.2 | Y429 F1152 T1153 N1154 | Y429-C1150 HydrophobicContact CE2-CB 4.06Å; Y429-C1150 WeakPolarHBondContact CE2-SG 3.2Å; Y429-C1150 PolarHBondContact OH-SG 3.36Å; C1150-F1152 PolarHBondContact O-N 3.26Å; C1150-F1152 PolarHBondContact SG-N 2.87Å; C1150-T1153 PolarHBondContact O-N 3.17Å; C1150-T1153 PolarHBondContact SG-N 3.03Å; C1150-T1153 VanDerWaalsContact SG-N 3.35Å; C1150-N1154 PolarHBondContact O-N 3.49Å | ||
| 1151 | F | 74.3 | Confident | 83.6 | Confident | 26 Ų | 26 | 19.2 Ų | 19.2 | 11% | 0.114 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -43.8 | -55.9 | 171.6 | 175.2 | -108.3 | 0 | 0 | 0 | 113.3 | T1153 N1154 L1155 L1223 F1446 I1450 | F1151-T1153 PolarHBondContact O-N 2.97Å; F1151-N1154 PolarHBondContact O-N 3.41Å; F1151-N1154 VanDerWaalsContact O-N 3.17Å; F1151-L1155 HydrophobicContact CD1-CD1 4.13Å; F1151-L1155 HydrophobicContact CE1-CD1 3.59Å; F1151-L1155 HydrophobicContact CE2-CD1 4.15Å; F1151-L1155 HydrophobicContact CE2-CG 4.41Å; F1151-L1155 HydrophobicContact CZ-CD1 3.61Å; F1151-L1155 HydrophobicContact CZ-CG 4.34Å; F1151-L1155 PolarHBondContact O-N 3.26Å; F1151-L1223 HydrophobicContact CE1-CD2 4.36Å; F1151-L1223 HydrophobicContact CE2-CD1 4Å; F1151-L1223 HydrophobicContact CE2-CD2 3.73Å; F1151-L1223 HydrophobicContact CZ-CD2 3.54Å; F1151-F1446 HydrophobicContact CB-CB 4.28Å; F1151-F1446 HydrophobicContact CB-CD2 4.21Å; F1151-F1446 HydrophobicContact CB-CG 4.39Å; F1151-F1446 HydrophobicContact CD2-CB 3.97Å; F1151-F1446 HydrophobicContact CD2-CD1 4.19Å; F1151-F1446 HydrophobicContact CD2-CG 4.01Å; F1151-F1446 HydrophobicContact CG-CG 4.49Å; F1151-I1450 HydrophobicContact CD2-CD1 3.59Å; F1151-I1450 HydrophobicContact CD2-CG1 4.32Å; F1151-I1450 HydrophobicContact CE2-CD1 4Å; F1151-I1450 HydrophobicContact CE2-CG1 4.36Å; F1151-I1450 HydrophobicContact CG-CD1 4.41Å; F1151-I1450 WeakPolarHBondContact O-CD1 3.15Å |
| 1152 | F | 75.2 | Confident | 83.3 | Confident | 48 Ų | 48 | 15.7 Ų | 15.7 | 21% | 0.211 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66 | -35.3 | -177.7 | -51.3 | -66.6 | 0 | 0 | 0 | 113.9 | A306 M433 C1150 N1154 L1155 L1156 W1227 | A306-F1152 HydrophobicContact CB-CD1 3.89Å; A306-F1152 HydrophobicContact CB-CE1 3.22Å; A306-F1152 HydrophobicContact CB-CZ 3.62Å; M433-F1152 HydrophobicContact CE-CB 3.57Å; M433-F1152 HydrophobicContact SD-CB 4.39Å; C1150-F1152 PolarHBondContact O-N 3.26Å; C1150-F1152 PolarHBondContact SG-N 2.87Å; F1152-N1154 VanDerWaalsContact C-N 3.33Å; F1152-L1155 PolarHBondContact O-N 3.22Å; F1152-L1156 PolarHBondContact O-N 3.47Å; F1152-L1156 VanDerWaalsContact O-N 3.09Å; F1152-W1227 HydrophobicContact CZ-CZ2 4.22Å |
| 1153 | T | 81.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.5 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | Y429 M433 L436 N1149 C1150 F1151 L1157 | Y429-T1153 WeakPolarHBondContact CE2-OG1 3.19Å; M433-T1153 PolarHBondContact SD-OG1 3.06Å; L436-T1153 HydrophobicContact CD1-CG2 4.09Å; N1149-T1153 HydrophobicContact CB-CG2 4.1Å; C1150-T1153 PolarHBondContact O-N 3.17Å; C1150-T1153 PolarHBondContact SG-N 3.03Å; C1150-T1153 VanDerWaalsContact SG-N 3.35Å; F1151-T1153 PolarHBondContact O-N 2.97Å; T1153-L1157 HydrophobicContact CG2-CD1 3.89Å; T1153-L1157 HydrophobicContact CG2-CG 4.49Å; T1153-L1157 WeakPolarHBondContact O-CB 2.93Å; T1153-L1157 WeakPolarHBondContact O-CD1 3.12Å; T1153-L1157 VanDerWaalsContact O-CG 3.23Å; T1153-L1157 WeakPolarHBondContact O-CG 3.15Å; T1153-L1157 PolarHBondContact O-N 3.43Å |
| 1154 | N | 85 | Confident | 82.7 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 177.1 | -71.1 | -24.5 | 0 | 0 | 0 | 111.7 | M1146 N1149 C1150 F1151 F1152 L1156 L1157 T1158 I1450 | M1146-N1154 HydrophobicContact CE-CB 4.3Å; M1146-N1154 HydrophobicContact CG-CB 4.35Å; M1146-N1154 VanDerWaalsContact CG-CG 3.5Å; M1146-N1154 WeakPolarHBondContact CG-OD1 3.47Å; M1146-N1154 PolarHBondContact O-ND2 3.28Å; N1149-N1154 WeakPolarHBondContact CB-OD1 2.91Å; N1149-N1154 PolarHBondContact ND2-OD1 3.5Å; C1150-N1154 PolarHBondContact O-N 3.49Å; F1151-N1154 PolarHBondContact O-N 3.41Å; F1151-N1154 VanDerWaalsContact O-N 3.17Å; F1152-N1154 VanDerWaalsContact C-N 3.33Å; N1154-L1156 PolarHBondContact O-N 2.63Å; N1154-L1157 PolarHBondContact O-N 2.67Å; N1154-T1158 WeakPolarHBondContact O-CG2 3.42Å; N1154-T1158 PolarHBondContact O-N 2.88Å; N1154-T1158 PolarHBondContact O-OG1 3.3Å; N1154-I1450 HydrophobicContact CB-CD1 3.66Å; N1154-I1450 HydrophobicContact CB-CG2 4.27Å |
| 1155 | L | 80.5 | Confident | 82.4 | Confident | 32 Ų | 32 | 15.3 Ų | 15.3 | 17% | 0.168 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.5 | -43.4 | 175.4 | -71.4 | 179.7 | 0 | 0 | 0 | 113.2 | Y666 F1151 F1152 T1158 D1159 I1450 | Y666-L1155 HydrophobicContact CD2-CD2 4.5Å; F1151-L1155 HydrophobicContact CD1-CD1 4.13Å; F1151-L1155 HydrophobicContact CE1-CD1 3.59Å; F1151-L1155 HydrophobicContact CE2-CD1 4.15Å; F1151-L1155 HydrophobicContact CE2-CG 4.41Å; F1151-L1155 HydrophobicContact CZ-CD1 3.61Å; F1151-L1155 HydrophobicContact CZ-CG 4.34Å; F1151-L1155 PolarHBondContact O-N 3.26Å; F1152-L1155 PolarHBondContact O-N 3.22Å; L1155-T1158 PolarHBondContact O-OG1 3.29Å; L1155-D1159 PolarHBondContact O-N 3.37Å; L1155-I1450 HydrophobicContact CD2-CD1 3.91Å; L1155-I1450 HydrophobicContact CD2-CG1 4.07Å; L1155-I1450 HydrophobicContact CG-CD1 3.94Å |
| 1156 | L | 81.9 | Confident | 81.8 | Confident | 9 Ų | 9 | 12.7 Ų | 12.7 | 5% | 0.047 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68 | -38.7 | 176.6 | -71.6 | -179.5 | 0 | 0 | 0 | 112.1 | M433 L436 F1152 N1154 I1160 | M433-L1156 HydrophobicContact CE-CD1 3.43Å; M433-L1156 VanDerWaalsContact CE-CD1 3.43Å; M433-L1156 HydrophobicContact CE-CG 4.29Å; M433-L1156 HydrophobicContact SD-CD1 4.1Å; L436-L1156 HydrophobicContact CB-CB 4.15Å; L436-L1156 HydrophobicContact CB-CD1 3.81Å; L436-L1156 HydrophobicContact CD1-CB 4.09Å; L436-L1156 HydrophobicContact CD1-CD1 4.41Å; F1152-L1156 PolarHBondContact O-N 3.47Å; F1152-L1156 VanDerWaalsContact O-N 3.09Å; N1154-L1156 PolarHBondContact O-N 2.63Å; L1156-I1160 WeakPolarHBondContact O-CB 3.43Å; L1156-I1160 WeakPolarHBondContact O-CD1 3.48Å; L1156-I1160 WeakPolarHBondContact O-CG1 3.46Å; L1156-I1160 PolarHBondContact O-N 3.17Å; L1156-I1160 VanDerWaalsContact O-N 3.1Å |
| 1157 | L | 88.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 175.8 | -74 | 167.2 | 0 | 0 | 0 | 111.5 | L436 L1139 R1142 T1153 N1154 I1160 F1161 | L436-L1157 HydrophobicContact CD1-CD2 4.34Å; L436-L1157 HydrophobicContact CD1-CG 4.17Å; L436-L1157 HydrophobicContact CD2-CD2 3.78Å; L436-L1157 HydrophobicContact CD2-CG 4.4Å; L1139-L1157 HydrophobicContact CD2-CD2 3.79Å; R1142-L1157 HydrophobicContact CB-CD1 3.74Å; R1142-L1157 HydrophobicContact CB-CD2 4.01Å; T1153-L1157 HydrophobicContact CG2-CD1 3.89Å; T1153-L1157 HydrophobicContact CG2-CG 4.49Å; T1153-L1157 WeakPolarHBondContact O-CB 2.93Å; T1153-L1157 WeakPolarHBondContact O-CD1 3.12Å; T1153-L1157 VanDerWaalsContact O-CG 3.23Å; T1153-L1157 WeakPolarHBondContact O-CG 3.15Å; T1153-L1157 PolarHBondContact O-N 3.43Å; N1154-L1157 PolarHBondContact O-N 2.67Å; L1157-I1160 PolarHBondContact O-N 3.19Å; L1157-F1161 VanDerWaalsContact O-CD2 3.29Å; L1157-F1161 WeakPolarHBondContact O-CD2 3.36Å; L1157-F1161 PolarHBondContact O-N 3.2Å |
| 1158 | T | 86.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -70 | -41.4 | -179.9 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | Y666 M1146 N1154 L1155 I1160 F1161 A1162 I1450 F1454 | Y666-T1158 WeakPolarHBondContact OH-CB 3.13Å; Y666-T1158 PolarHBondContact OH-OG1 3.34Å; Y666-T1158 VanDerWaalsContact OH-OG1 3.09Å; M1146-T1158 HydrophobicContact CE-CG2 3.66Å; N1154-T1158 WeakPolarHBondContact O-CG2 3.42Å; N1154-T1158 PolarHBondContact O-N 2.88Å; N1154-T1158 PolarHBondContact O-OG1 3.3Å; L1155-T1158 PolarHBondContact O-OG1 3.29Å; T1158-I1160 VanDerWaalsContact C-N 3.29Å; T1158-I1160 PolarHBondContact O-N 3.09Å; T1158-F1161 PolarHBondContact O-N 2.86Å; T1158-A1162 VanDerWaalsContact O-CB 3.27Å; T1158-A1162 WeakPolarHBondContact O-CB 3.39Å; T1158-A1162 PolarHBondContact O-N 2.88Å; T1158-I1450 HydrophobicContact CG2-CG2 3.77Å; T1158-F1454 HydrophobicContact CG2-CB 3.82Å; T1158-F1454 HydrophobicContact CG2-CD1 3.7Å; T1158-F1454 HydrophobicContact CG2-CD2 3.73Å; T1158-F1454 HydrophobicContact CG2-CE1 4.14Å; T1158-F1454 HydrophobicContact CG2-CE2 4.17Å; T1158-F1454 HydrophobicContact CG2-CG 3.47Å; T1158-F1454 VanDerWaalsContact CG2-CG 3.47Å; T1158-F1454 HydrophobicContact CG2-CZ 4.36Å |
| 1159 | D | 81.3 | Confident | 79.9 | Confident | 5 Ų | 5 | 10.8 Ų | 10.8 | 3% | 0.027 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.1 | -34.7 | 174.4 | -168.3 | 21.8 | 0 | 0 | 0 | 111.6 | R440 Y666 R673 L1155 A1163 | R440-D1159 IonicContact CZ-OD2 3.25Å; R440-D1159 IonicContact NE-OD2 2.72Å; R440-D1159 PolarHBondContact NE-OD2 3.43Å; R440-D1159 IonicContact NH2-OD2 3.16Å; R440-D1159 PolarHBondContact NH2-OD2 3.17Å; Y666-D1159 HydrophobicContact CE2-CB 3.82Å; Y666-D1159 PolarHBondContact OH-N 3.36Å; R673-D1159 IonicContact CZ-OD1 3.56Å; R673-D1159 IonicContact NE-OD1 2.8Å; R673-D1159 PolarHBondContact NE-OD1 3.48Å; R673-D1159 IonicContact NH2-OD1 3.44Å; L1155-D1159 PolarHBondContact O-N 3.37Å; D1159-A1163 WeakPolarHBondContact O-CB 3.46Å; D1159-A1163 PolarHBondContact O-N 3.01Å |
| 1160 | I | 88.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 173.1 | -71.2 | 166.4 | 0 | 0 | 0 | 111 | L436 R440 L443 L1139 L1156 L1157 T1158 A1163 L1164 | L436-I1160 HydrophobicContact CB-CD1 4.45Å; L436-I1160 HydrophobicContact CD2-CD1 3.79Å; R440-I1160 HydrophobicContact CB-CD1 4.4Å; R440-I1160 HydrophobicContact CB-CG1 4.23Å; L443-I1160 HydrophobicContact CD1-CG2 4.06Å; L1139-I1160 HydrophobicContact CD1-CG2 3.74Å; L1139-I1160 HydrophobicContact CD2-CG2 4.34Å; L1156-I1160 WeakPolarHBondContact O-CB 3.43Å; L1156-I1160 WeakPolarHBondContact O-CD1 3.48Å; L1156-I1160 WeakPolarHBondContact O-CG1 3.46Å; L1156-I1160 PolarHBondContact O-N 3.17Å; L1156-I1160 VanDerWaalsContact O-N 3.1Å; L1157-I1160 PolarHBondContact O-N 3.19Å; T1158-I1160 VanDerWaalsContact C-N 3.29Å; T1158-I1160 PolarHBondContact O-N 3.09Å; I1160-A1163 WeakPolarHBondContact O-CB 3.2Å; I1160-A1163 PolarHBondContact O-N 2.98Å; I1160-L1164 HydrophobicContact CG2-CD1 4.29Å; I1160-L1164 WeakPolarHBondContact O-CG 3.4Å; I1160-L1164 PolarHBondContact O-N 2.83Å |
| 1161 | F | 89.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.9 | -40.5 | 177.5 | -85.3 | -69.8 | 0 | 0 | 0 | 112.9 | L1139 L1140 L1143 L1157 T1158 A1163 L1164 A1165 L1176 L1191 F1454 | L1139-F1161 HydrophobicContact CB-CE1 4.47Å; L1139-F1161 HydrophobicContact CB-CE2 3.79Å; L1139-F1161 HydrophobicContact CB-CZ 3.56Å; L1140-F1161 HydrophobicContact CD2-CE1 3.8Å; L1140-F1161 HydrophobicContact CD2-CZ 3.68Å; L1140-F1161 HydrophobicContact CG-CE1 4.14Å; L1140-F1161 HydrophobicContact CG-CZ 3.84Å; L1143-F1161 HydrophobicContact CB-CE2 3.95Å; L1143-F1161 HydrophobicContact CD2-CD2 3.96Å; L1143-F1161 HydrophobicContact CD2-CE2 3.8Å; L1143-F1161 HydrophobicContact CD2-CZ 4.33Å; L1143-F1161 HydrophobicContact CG-CE2 4.4Å; L1157-F1161 VanDerWaalsContact O-CD2 3.29Å; L1157-F1161 WeakPolarHBondContact O-CD2 3.36Å; L1157-F1161 PolarHBondContact O-N 3.2Å; T1158-F1161 PolarHBondContact O-N 2.86Å; F1161-A1163 VanDerWaalsContact C-N 3.29Å; F1161-A1163 PolarHBondContact O-N 2.92Å; F1161-L1164 PolarHBondContact O-N 3.06Å; F1161-A1165 VanDerWaalsContact O-CB 3.26Å; F1161-A1165 WeakPolarHBondContact O-CB 3.34Å; F1161-A1165 PolarHBondContact O-N 3.22Å; F1161-L1176 HydrophobicContact CE1-CD2 4.49Å; F1161-L1191 HydrophobicContact CD1-CD1 4.24Å; F1161-L1191 HydrophobicContact CE1-CD1 4.36Å; F1161-F1454 HydrophobicContact CB-CE2 4.01Å; F1161-F1454 HydrophobicContact CB-CZ 3.56Å; F1161-F1454 HydrophobicContact CG-CZ 4.39Å |
| 1162 | A | 82.1 | Confident | 78.9 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1158 S1166 F1454 E1457 L1461 | T1158-A1162 VanDerWaalsContact O-CB 3.27Å; T1158-A1162 WeakPolarHBondContact O-CB 3.39Å; T1158-A1162 PolarHBondContact O-N 2.88Å; A1162-S1166 VanDerWaalsContact O-CB 3.27Å; A1162-S1166 WeakPolarHBondContact O-CB 3.23Å; A1162-S1166 PolarHBondContact O-N 2.88Å; A1162-S1166 PolarHBondContact O-OG 3.17Å; A1162-S1166 VanDerWaalsContact O-OG 3.11Å; A1162-F1454 HydrophobicContact CB-CE2 4.45Å; A1162-E1457 VanDerWaalsContact CB-CD 3.47Å; A1162-E1457 HydrophobicContact CB-CG 4.28Å; A1162-E1457 WeakPolarHBondContact CB-OE2 3.47Å; A1162-L1461 HydrophobicContact CB-CD1 4.3Å |
| 1163 | A | 79.8 | Confident | 78.8 | Confident | 9 Ų | 9 | 12.2 Ų | 12.2 | 7% | 0.074 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R677 D1159 I1160 F1161 S1166 Y1167 | R677-A1163 VanDerWaalsContact NH1-CA 3.34Å; D1159-A1163 WeakPolarHBondContact O-CB 3.46Å; D1159-A1163 PolarHBondContact O-N 3.01Å; I1160-A1163 WeakPolarHBondContact O-CB 3.2Å; I1160-A1163 PolarHBondContact O-N 2.98Å; F1161-A1163 VanDerWaalsContact C-N 3.29Å; F1161-A1163 PolarHBondContact O-N 2.92Å; A1163-S1166 PolarHBondContact O-N 3.35Å; A1163-S1166 PolarHBondContact O-OG 3.16Å; A1163-Y1167 WeakPolarHBondContact O-CD2 3.39Å |
| 1164 | L | 85.2 | Confident | 78.2 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 178.1 | -65.5 | 178 | 0 | 0 | 0 | 112.4 | L443 M451 I455 F1135 L1136 L1139 I1160 F1161 S1166 Y1167 L1172 L1176 | L443-L1164 HydrophobicContact CD1-CD2 4.23Å; L443-L1164 HydrophobicContact CD2-CD2 4.26Å; M451-L1164 HydrophobicContact CE-CD2 3.98Å; M451-L1164 HydrophobicContact SD-CD2 4.22Å; I455-L1164 HydrophobicContact CD1-CD1 3.93Å; I455-L1164 HydrophobicContact CD1-CD2 3.42Å; I455-L1164 VanDerWaalsContact CD1-CD2 3.42Å; I455-L1164 HydrophobicContact CD1-CG 4.3Å; F1135-L1164 HydrophobicContact CE1-CD1 4.39Å; L1136-L1164 HydrophobicContact CD2-CD1 3.91Å; L1139-L1164 HydrophobicContact CD1-CD1 4.33Å; I1160-L1164 HydrophobicContact CG2-CD1 4.29Å; I1160-L1164 WeakPolarHBondContact O-CG 3.4Å; I1160-L1164 PolarHBondContact O-N 2.83Å; F1161-L1164 PolarHBondContact O-N 3.06Å; L1164-S1166 VanDerWaalsContact C-N 3.28Å; L1164-S1166 PolarHBondContact O-N 3.12Å; L1164-Y1167 HydrophobicContact CD2-CE2 4.37Å; L1164-Y1167 PolarHBondContact O-N 3.19Å; L1164-L1172 HydrophobicContact CB-CD2 4.41Å; L1164-L1172 WeakPolarHBondContact O-CD2 3.44Å; L1164-L1176 HydrophobicContact CB-CD1 3.83Å |
| 1165 | A | 81.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.9 | -28.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1161 Y1167 L1176 L1177 L1458 L1461 H1465 | F1161-A1165 VanDerWaalsContact O-CB 3.26Å; F1161-A1165 WeakPolarHBondContact O-CB 3.34Å; F1161-A1165 PolarHBondContact O-N 3.22Å; A1165-Y1167 VanDerWaalsContact C-N 3.33Å; A1165-Y1167 PolarHBondContact O-N 2.67Å; A1165-L1176 HydrophobicContact CB-CD1 4.48Å; A1165-L1177 HydrophobicContact CB-CD1 4.21Å; A1165-L1177 HydrophobicContact CB-CD2 4.11Å; A1165-L1177 HydrophobicContact CB-CG 4.42Å; A1165-L1458 HydrophobicContact CB-CD2 4.03Å; A1165-L1461 HydrophobicContact CB-CD1 3.91Å; A1165-H1465 PolarHBondContact O-NE2 2.78Å |
| 1166 | S | 74.3 | Confident | 77.5 | Confident | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.014 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.3 | 178.9 | 66.4 | 0 | 0 | 0 | 0 | 115.5 | R677 A1162 A1163 L1164 P1168 | R677-S1166 WeakPolarHBondContact CD-OG 3.36Å; R677-S1166 PolarHBondContact NH1-OG 2.81Å; A1162-S1166 VanDerWaalsContact O-CB 3.27Å; A1162-S1166 WeakPolarHBondContact O-CB 3.23Å; A1162-S1166 PolarHBondContact O-N 2.88Å; A1162-S1166 PolarHBondContact O-OG 3.17Å; A1162-S1166 VanDerWaalsContact O-OG 3.11Å; A1163-S1166 PolarHBondContact O-N 3.35Å; A1163-S1166 PolarHBondContact O-OG 3.16Å; L1164-S1166 VanDerWaalsContact C-N 3.28Å; L1164-S1166 PolarHBondContact O-N 3.12Å; S1166-P1168 WeakPolarHBondContact O-CD 3.12Å |
| 1167 | Y | 71.6 | Confident | 77.1 | Confident | 15 Ų | 15 | 12.7 Ų | 12.7 | 6% | 0.059 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -77.4 | 124.1 | 170.9 | -75.1 | -92.7 | 0 | 0 | 0 | 110.7 | L443 H446 M451 A1163 L1164 A1165 C1169 L1172 | L443-Y1167 PolarHBondContact O-OH 2.87Å; H446-Y1167 AromaticContact ND1-CE1 3.77Å; H446-Y1167 AromaticContact ND1-CZ 3.46Å; H446-Y1167 PolarHBondContact ND1-OH 3.17Å; M451-Y1167 HydrophobicContact CE-CD1 4.33Å; M451-Y1167 HydrophobicContact CE-CD2 3.91Å; M451-Y1167 HydrophobicContact CE-CE1 4.12Å; M451-Y1167 HydrophobicContact CE-CE2 3.68Å; M451-Y1167 HydrophobicContact CE-CG 4.22Å; M451-Y1167 HydrophobicContact SD-CE2 4.07Å; A1163-Y1167 WeakPolarHBondContact O-CD2 3.39Å; L1164-Y1167 HydrophobicContact CD2-CE2 4.37Å; L1164-Y1167 PolarHBondContact O-N 3.19Å; A1165-Y1167 VanDerWaalsContact C-N 3.33Å; A1165-Y1167 PolarHBondContact O-N 2.67Å; Y1167-C1169 PolarHBondContact O-N 3.21Å; Y1167-L1172 HydrophobicContact CD2-CD2 4.48Å |
| 1168 | P | 65.3 | Low | 76.1 | Confident | 30 Ų | 30 | 14.1 Ų | 14.1 | 20% | 0.195 | 8% | 0.078 | C | C | . | . | trans | -79.7 | 51 | 175.7 | 36 | -37.6 | 0 | 0 | 0 | 111.9 | C681 S1166 I1471 | C681-P1168 HydrophobicContact CB-CG 3.42Å; C681-P1168 VanDerWaalsContact CB-CG 3.42Å; S1166-P1168 WeakPolarHBondContact O-CD 3.12Å; P1168-I1471 HydrophobicContact CB-CD1 4.36Å | ||
| 1169 | C | 69.1 | Low | 74.7 | Confident | 23 Ų | 23 | 14.8 Ų | 14.8 | 16% | 0.155 | 8% | 0.083 | C | C | . | . | trans | -98.5 | 117.6 | 172 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | F456 Y1167 L1171 L1172 Y1173 | F456-C1169 HydrophobicContact CE1-CB 4.33Å; F456-C1169 VanDerWaalsContact CE1-SG 3.56Å; F456-C1169 HydrophobicContact CZ-CB 4.2Å; Y1167-C1169 PolarHBondContact O-N 3.21Å; C1169-L1171 VanDerWaalsContact C-N 3.27Å; C1169-L1171 PolarHBondContact O-N 2.91Å; C1169-L1171 VanDerWaalsContact O-N 3.17Å; C1169-L1172 HydrophobicContact CB-CB 4.23Å; C1169-L1172 PolarHBondContact O-N 3.37Å; C1169-Y1173 WeakPolarHBondContact O-CB 3.45Å; C1169-Y1173 PolarHBondContact O-N 3.48Å | ||
| 1170 | P | 65.5 | Low | 73.3 | Confident | 56 Ų | 56 | 17.9 Ų | 17.9 | 36% | 0.364 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -53.1 | -40.4 | -174.8 | -29.7 | 35.9 | 0 | 0 | 0 | 114.2 | L1172 Y1173 E1174 | P1170-L1172 VanDerWaalsContact C-N 3.34Å; P1170-L1172 PolarHBondContact O-N 3.09Å; P1170-Y1173 PolarHBondContact O-N 3.3Å; P1170-E1174 WeakPolarHBondContact O-CB 3.44Å; P1170-E1174 PolarHBondContact O-N 3.17Å |
| 1171 | L | 68.6 | Low | 71.5 | Confident | 25 Ų | 25 | 19.4 Ų | 19.4 | 13% | 0.131 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 177.5 | -73.3 | 157.1 | 0 | 0 | 0 | 113.3 | L460 L482 C1169 F1175 | L460-L1171 HydrophobicContact CD2-CD1 3.64Å; L482-L1171 HydrophobicContact CD2-CD2 3.86Å; C1169-L1171 VanDerWaalsContact C-N 3.27Å; C1169-L1171 PolarHBondContact O-N 2.91Å; C1169-L1171 VanDerWaalsContact O-N 3.17Å; L1171-F1175 VanDerWaalsContact O-CB 3.32Å; L1171-F1175 WeakPolarHBondContact O-CB 3.39Å; L1171-F1175 PolarHBondContact O-N 3.21Å |
| 1172 | L | 74.9 | Confident | 69.9 | Low | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -84.1 | -34.1 | -179.7 | -168.3 | 56.4 | 0 | 0 | 0 | 111.5 | M451 I455 F456 L459 L1164 Y1167 C1169 P1170 L1176 | M451-L1172 HydrophobicContact CE-CD2 3.99Å; I455-L1172 HydrophobicContact CG2-CD1 4.04Å; F456-L1172 HydrophobicContact CE1-CB 4.27Å; L459-L1172 HydrophobicContact CD1-CD1 4.18Å; L1164-L1172 HydrophobicContact CB-CD2 4.41Å; L1164-L1172 WeakPolarHBondContact O-CD2 3.44Å; Y1167-L1172 HydrophobicContact CD2-CD2 4.48Å; C1169-L1172 HydrophobicContact CB-CB 4.23Å; C1169-L1172 PolarHBondContact O-N 3.37Å; P1170-L1172 VanDerWaalsContact C-N 3.34Å; P1170-L1172 PolarHBondContact O-N 3.09Å; L1172-L1176 HydrophobicContact CD1-CD1 3.7Å; L1172-L1176 HydrophobicContact CD1-CG 3.95Å; L1172-L1176 HydrophobicContact CG-CD1 3.9Å; L1172-L1176 HydrophobicContact CG-CG 4.43Å; L1172-L1176 WeakPolarHBondContact O-CB 3.39Å; L1172-L1176 WeakPolarHBondContact O-CG 3.32Å; L1172-L1176 PolarHBondContact O-N 3.25Å |
| 1173 | Y | 71.5 | Confident | 68.9 | Low | 43 Ų | 43 | 21.5 Ų | 21.5 | 17% | 0.169 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -52.6 | 171.8 | 176.2 | -93.3 | 0 | 0 | 0 | 111.7 | C1169 P1170 F1175 L1177 N1178 H1465 | C1169-Y1173 WeakPolarHBondContact O-CB 3.45Å; C1169-Y1173 PolarHBondContact O-N 3.48Å; P1170-Y1173 PolarHBondContact O-N 3.3Å; Y1173-F1175 PolarHBondContact O-N 2.81Å; Y1173-L1177 HydrophobicContact CD2-CB 4.24Å; Y1173-L1177 HydrophobicContact CD2-CD1 3.79Å; Y1173-L1177 HydrophobicContact CD2-CG 4.49Å; Y1173-L1177 HydrophobicContact CE2-CB 4.13Å; Y1173-L1177 HydrophobicContact CE2-CD1 3.89Å; Y1173-L1177 WeakPolarHBondContact O-CA 3.4Å; Y1173-L1177 WeakPolarHBondContact O-CB 3.31Å; Y1173-L1177 PolarHBondContact O-N 3.16Å; Y1173-N1178 HydrophobicContact CE1-CB 4.31Å; Y1173-N1178 PolarHBondContact O-N 2.72Å; Y1173-H1465 HydrophobicContact CD2-CB 4.03Å; Y1173-H1465 AromaticContact CD2-CD2 3.56Å; Y1173-H1465 AromaticContact CD2-CG 3.8Å; Y1173-H1465 HydrophobicContact CE2-CB 3.53Å; Y1173-H1465 AromaticContact CE2-CD2 3.67Å; Y1173-H1465 AromaticContact CE2-CG 3.79Å |
| 1174 | E | 69.2 | Low | 67.9 | Low | 17 Ų | 17 | 22.2 Ų | 22.2 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 177.9 | -72.1 | -169.6 | -150.9 | 0 | 0 | 111.3 | H478 P1170 N1178 L1182 | H478-E1174 IonicContact CE1-OE1 3.76Å; H478-E1174 IonicContact CE1-OE2 2.7Å; H478-E1174 IonicContact ND1-OE1 2.73Å; H478-E1174 IonicContact ND1-OE2 3.19Å; H478-E1174 PolarHBondContact ND1-OE2 3.38Å; P1170-E1174 WeakPolarHBondContact O-CB 3.44Å; P1170-E1174 PolarHBondContact O-N 3.17Å; E1174-N1178 CarbonylContact O-C 3.6Å; E1174-N1178 PolarHBondContact O-N 2.72Å; E1174-N1178 VanDerWaalsContact O-O 3.1Å; E1174-L1182 HydrophobicContact CB-CD1 3.99Å |
| 1175 | F | 75.1 | Confident | 66.9 | Low | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.6 | -42.7 | 178.9 | 179.1 | -99.2 | 0 | 0 | 0 | 114.3 | L459 I1132 L1136 L1140 L1171 Y1173 V1188 | L459-F1175 HydrophobicContact CD2-CD1 4.31Å; L459-F1175 HydrophobicContact CD2-CD2 4.17Å; L459-F1175 HydrophobicContact CD2-CG 4.04Å; I1132-F1175 HydrophobicContact CB-CZ 4.36Å; I1132-F1175 HydrophobicContact CD1-CE2 4.27Å; I1132-F1175 HydrophobicContact CD1-CZ 3.74Å; I1132-F1175 HydrophobicContact CG1-CE2 4.11Å; I1132-F1175 HydrophobicContact CG1-CZ 3.91Å; I1132-F1175 HydrophobicContact CG2-CE1 3.73Å; I1132-F1175 HydrophobicContact CG2-CE2 4.02Å; I1132-F1175 HydrophobicContact CG2-CZ 3.42Å; I1132-F1175 VanDerWaalsContact CG2-CZ 3.42Å; L1136-F1175 HydrophobicContact CD1-CE1 4.26Å; L1140-F1175 HydrophobicContact CD1-CZ 4.45Å; L1171-F1175 VanDerWaalsContact O-CB 3.32Å; L1171-F1175 WeakPolarHBondContact O-CB 3.39Å; L1171-F1175 PolarHBondContact O-N 3.21Å; Y1173-F1175 PolarHBondContact O-N 2.81Å; F1175-V1188 HydrophobicContact CE2-CG1 4.44Å |
| 1176 | L | 76.7 | Confident | 65.9 | Low | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -86.7 | -40 | -176.7 | -66.7 | 179.1 | 0 | 0 | 0 | 113.4 | F1161 L1164 A1165 L1172 L1191 | F1161-L1176 HydrophobicContact CE1-CD2 4.49Å; L1164-L1176 HydrophobicContact CB-CD1 3.83Å; A1165-L1176 HydrophobicContact CB-CD1 4.48Å; L1172-L1176 HydrophobicContact CD1-CD1 3.7Å; L1172-L1176 HydrophobicContact CD1-CG 3.95Å; L1172-L1176 HydrophobicContact CG-CD1 3.9Å; L1172-L1176 HydrophobicContact CG-CG 4.43Å; L1172-L1176 WeakPolarHBondContact O-CB 3.39Å; L1172-L1176 WeakPolarHBondContact O-CG 3.32Å; L1172-L1176 PolarHBondContact O-N 3.25Å; L1176-L1191 HydrophobicContact CB-CD2 4.35Å; L1176-L1191 HydrophobicContact CD2-CB 4.43Å; L1176-L1191 HydrophobicContact CD2-CD2 4.46Å |
| 1177 | L | 72.4 | Confident | 65.5 | Low | 29 Ų | 29 | 33.6 Ų | 33.6 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -115.1 | -23.5 | -165.7 | -56.5 | -178.2 | 0 | 0 | 0 | 114.1 | A1165 Y1173 P1179 L1458 | A1165-L1177 HydrophobicContact CB-CD1 4.21Å; A1165-L1177 HydrophobicContact CB-CD2 4.11Å; A1165-L1177 HydrophobicContact CB-CG 4.42Å; Y1173-L1177 HydrophobicContact CD2-CB 4.24Å; Y1173-L1177 HydrophobicContact CD2-CD1 3.79Å; Y1173-L1177 HydrophobicContact CD2-CG 4.49Å; Y1173-L1177 HydrophobicContact CE2-CB 4.13Å; Y1173-L1177 HydrophobicContact CE2-CD1 3.89Å; Y1173-L1177 WeakPolarHBondContact O-CA 3.4Å; Y1173-L1177 WeakPolarHBondContact O-CB 3.31Å; Y1173-L1177 PolarHBondContact O-N 3.16Å; L1177-P1179 VanDerWaalsContact C-CD 3.42Å; L1177-L1458 HydrophobicContact CD2-CD2 4.09Å |
| 1178 | N | 67.7 | Low | 65.6 | Low | 29 Ų | 29 | 32.9 Ų | 32.9 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | trans | -128.6 | 57.4 | 175.1 | -167.8 | 4.3 | 0 | 0 | 0 | 114 | Y1173 E1174 I1180 | Y1173-N1178 HydrophobicContact CE1-CB 4.31Å; Y1173-N1178 PolarHBondContact O-N 2.72Å; E1174-N1178 CarbonylContact O-C 3.6Å; E1174-N1178 PolarHBondContact O-N 2.72Å; E1174-N1178 VanDerWaalsContact O-O 3.1Å; N1178-I1180 PolarHBondContact O-N 2.65Å; N1178-I1180 VanDerWaalsContact O-N 3.12Å | ||
| 1179 | P | 58.5 | Low | 66.1 | Low | 16 Ų | 16 | 35.4 Ų | 35.4 | 10% | 0.104 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.5 | -176.5 | 30.6 | -37.1 | 0 | 0 | 0 | 114.5 | L1177 I1184 T1190 | L1177-P1179 VanDerWaalsContact C-CD 3.42Å; P1179-I1184 HydrophobicContact CB-CD1 3.89Å; P1179-T1190 HydrophobicContact CB-CG2 3.94Å |
| 1180 | I | 52.3 | Low | 66.7 | Low | 70 Ų | 70 | 34.6 Ų | 34.6 | 36% | 0.359 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -31.2 | -177.2 | -62.4 | 120.7 | 0 | 0 | 0 | 111.6 | I1009 N1178 L1182 | I1009-I1180 HydrophobicContact CD1-CD1 3.56Å; I1009-I1180 HydrophobicContact CG1-CD1 3.94Å; I1009-I1180 HydrophobicContact CG2-CD1 4.1Å; I1009-I1180 HydrophobicContact CG2-CG2 4.26Å; N1178-I1180 PolarHBondContact O-N 2.65Å; N1178-I1180 VanDerWaalsContact O-N 3.12Å; I1180-L1182 PolarHBondContact O-N 3.39Å |
| 1181 | G | 51.2 | Low | 67.6 | Low | 32 Ų | 32 | 32 Ų | 32 | 33% | 0.33 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -70.8 | -10.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1182 | L | 56.3 | Low | 68.2 | Low | 12 Ų | 12 | 33.5 Ų | 33.5 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -109.7 | 126.1 | -177.9 | -65.9 | 165.9 | 0 | 0 | 0 | 109.7 | L465 F470 L482 E1174 I1180 I1184 | L465-L1182 HydrophobicContact CD2-CB 4.29Å; L465-L1182 HydrophobicContact CD2-CD2 4.21Å; F470-L1182 HydrophobicContact CZ-CB 4.44Å; F470-L1182 HydrophobicContact CZ-CD2 4.07Å; L482-L1182 HydrophobicContact CD1-CD2 3.34Å; L482-L1182 HydrophobicContact CD2-CD2 4.42Å; E1174-L1182 HydrophobicContact CB-CD1 3.99Å; I1180-L1182 PolarHBondContact O-N 3.39Å; L1182-I1184 HydrophobicContact CB-CD1 3.87Å; L1182-I1184 HydrophobicContact CB-CG1 3.58Å; L1182-I1184 HydrophobicContact CD1-CD1 3.94Å; L1182-I1184 HydrophobicContact CD1-CG1 4.3Å; L1182-I1184 PolarHBondContact O-N 3.07Å |
| 1183 | S | 59.3 | Low | 68.6 | Low | 34 Ų | 34 | 37.1 Ų | 37.1 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | trans | -77.1 | 73.4 | 168.2 | 68 | 0 | 0 | 0 | 0 | 110.6 | D466 F470 | D466-S1183 PolarHBondContact N-O 3Å; F470-S1183 WeakPolarHBondContact CD2-OG 3.47Å; F470-S1183 WeakPolarHBondContact CE2-O 3.35Å; F470-S1183 WeakPolarHBondContact CE2-OG 3.08Å; F470-S1183 PolarHBondContact N-OG 3.48Å | ||
| 1184 | I | 60.1 | Low | 69.4 | Low | 23 Ų | 23 | 35.2 Ų | 35.2 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -70.3 | 139.2 | 177.5 | -65.8 | 171.1 | 0 | 0 | 0 | 109.7 | L465 P1179 L1182 V1188 T1190 | L465-I1184 HydrophobicContact CD2-CG1 3.98Å; P1179-I1184 HydrophobicContact CB-CD1 3.89Å; L1182-I1184 HydrophobicContact CB-CD1 3.87Å; L1182-I1184 HydrophobicContact CB-CG1 3.58Å; L1182-I1184 HydrophobicContact CD1-CD1 3.94Å; L1182-I1184 HydrophobicContact CD1-CG1 4.3Å; L1182-I1184 PolarHBondContact O-N 3.07Å; I1184-V1188 HydrophobicContact CG2-CB 3.6Å; I1184-V1188 HydrophobicContact CG2-CG1 3.51Å; I1184-V1188 HydrophobicContact CG2-CG2 4.43Å; I1184-T1190 HydrophobicContact CD1-CG2 3.61Å; I1184-T1190 HydrophobicContact CG2-CG2 4Å |
| 1185 | K | 64.5 | Low | 70.3 | Confident | 54 Ų | 54 | 35.5 Ų | 35.5 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | trans | -50.1 | 139.6 | 177.6 | -91.6 | 161.5 | 176 | 129.5 | 0 | 112.5 | N463 H464 L465 D466 S1187 V1188 K1193 | N463-K1185 WeakPolarHBondContact O-CD 3.38Å; N463-K1185 PolarHBondContact O-NZ 2.91Å; H464-K1185 PolarHBondContact O-N 2.92Å; L465-K1185 VanDerWaalsContact O-CE 3.32Å; L465-K1185 WeakPolarHBondContact O-CE 3.39Å; L465-K1185 PolarHBondContact O-NZ 3.35Å; D466-K1185 HydrophobicContact CB-CG 4.34Å; D466-K1185 VanDerWaalsContact CG-CG 3.46Å; D466-K1185 WeakPolarHBondContact OD1-CG 3.48Å; D466-K1185 WeakPolarHBondContact OD2-CA 3.22Å; K1185-S1187 PolarHBondContact O-N 3.29Å; K1185-V1188 HydrophobicContact CB-CB 4.27Å; K1185-V1188 HydrophobicContact CB-CG2 3.65Å; K1185-V1188 WeakPolarHBondContact O-CB 3.45Å; K1185-V1188 PolarHBondContact O-N 2.7Å; K1185-K1193 PolarHBondContact O-NZ 3.49Å | ||
| 1186 | P | 60.6 | Low | 70.7 | Confident | 102 Ų | 102 | 40.5 Ų | 40.5 | 66% | 0.662 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -36.3 | 178.9 | 21.8 | -32.4 | 0 | 0 | 0 | 112 | D466 V1188 K1193 | D466-P1186 WeakPolarHBondContact OD2-CD 3.42Å; P1186-V1188 PolarHBondContact O-N 3.3Å; P1186-K1193 PolarHBondContact O-NZ 2.97Å |
| 1187 | S | 66.4 | Low | 71.3 | Confident | 87 Ų | 87 | 42.9 Ų | 42.9 | 61% | 0.608 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -2.8 | 176.8 | 55.7 | 0 | 0 | 0 | 0 | 115.7 | K1185 | K1185-S1187 PolarHBondContact O-N 3.29Š|
| 1188 | V | 72.1 | Confident | 72 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -99.2 | 121.2 | -179.9 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | H464 G1130 I1132 F1175 I1184 K1185 P1186 T1190 K1193 | H464-V1188 HydrophobicContact CB-CG1 4.22Å; H464-V1188 HydrophobicContact CB-CG2 4.05Å; G1130-V1188 VanDerWaalsContact O-CG2 3.31Å; G1130-V1188 WeakPolarHBondContact O-CG2 3.28Å; I1132-V1188 HydrophobicContact CD1-CG1 3.56Å; I1132-V1188 HydrophobicContact CG1-CG1 3.64Å; F1175-V1188 HydrophobicContact CE2-CG1 4.44Å; I1184-V1188 HydrophobicContact CG2-CB 3.6Å; I1184-V1188 HydrophobicContact CG2-CG1 3.51Å; I1184-V1188 HydrophobicContact CG2-CG2 4.43Å; K1185-V1188 HydrophobicContact CB-CB 4.27Å; K1185-V1188 HydrophobicContact CB-CG2 3.65Å; K1185-V1188 WeakPolarHBondContact O-CB 3.45Å; K1185-V1188 PolarHBondContact O-N 2.7Å; P1186-V1188 PolarHBondContact O-N 3.3Å; V1188-T1190 PolarHBondContact O-N 2.77Å; V1188-K1193 WeakPolarHBondContact O-CD 3.12Å; V1188-K1193 PolarHBondContact O-NZ 2.9Å |
| 1189 | N | 75.5 | Confident | 73 | Confident | 83 Ų | 83 | 41.6 Ų | 41.6 | 44% | 0.444 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -76.2 | 121.3 | 172.6 | -75.1 | -12.6 | 0 | 0 | 0 | 110.1 | I1132 L1140 V1194 | I1132-N1189 WeakPolarHBondContact CD1-O 3.36Å; L1140-N1189 WeakPolarHBondContact CD1-O 3.32Å; N1189-V1194 HydrophobicContact CB-CG2 4.15Å |
| 1190 | T | 81.9 | Confident | 74.4 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -97.9 | 163.3 | 170.1 | 65.4 | 0 | 0 | 0 | 0 | 109.8 | P1179 I1184 V1188 Y1192 K1193 V1194 | P1179-T1190 HydrophobicContact CB-CG2 3.94Å; I1184-T1190 HydrophobicContact CD1-CG2 3.61Å; I1184-T1190 HydrophobicContact CG2-CG2 4Å; V1188-T1190 PolarHBondContact O-N 2.77Å; T1190-Y1192 VanDerWaalsContact C-N 3.28Å; T1190-Y1192 PolarHBondContact O-N 2.76Å; T1190-K1193 PolarHBondContact O-N 3.1Å; T1190-K1193 WeakPolarHBondContact OG1-CG 3.4Å; T1190-K1193 PolarHBondContact OG1-N 2.9Å; T1190-V1194 WeakPolarHBondContact O-CG2 3.24Å; T1190-V1194 PolarHBondContact O-N 2.84Å |
| 1191 | L | 84.4 | Confident | 76 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 176.6 | -176.2 | 59.2 | 0 | 0 | 0 | 111.3 | L1140 L1143 F1161 L1176 V1194 L1195 L1458 | L1140-L1191 HydrophobicContact CD2-CB 4.4Å; L1140-L1191 HydrophobicContact CD2-CD1 4.2Å; L1143-L1191 HydrophobicContact CD2-CD1 3.51Å; F1161-L1191 HydrophobicContact CD1-CD1 4.24Å; F1161-L1191 HydrophobicContact CE1-CD1 4.36Å; L1176-L1191 HydrophobicContact CB-CD2 4.35Å; L1176-L1191 HydrophobicContact CD2-CB 4.43Å; L1176-L1191 HydrophobicContact CD2-CD2 4.46Å; L1191-V1194 PolarHBondContact O-N 2.84Å; L1191-L1195 HydrophobicContact CD1-CD1 4.3Å; L1191-L1195 HydrophobicContact CD1-CG 4.25Å; L1191-L1195 HydrophobicContact CG-CD1 3.99Å; L1191-L1195 HydrophobicContact CG-CG 4.39Å; L1191-L1195 WeakPolarHBondContact O-CG 3.45Å; L1191-L1195 PolarHBondContact O-N 2.77Å; L1191-L1458 HydrophobicContact CD2-CD1 4.1Å; L1191-L1458 HydrophobicContact CD2-CD2 4.32Å |
| 1192 | Y | 81.9 | Confident | 77.7 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -48.6 | 173.9 | -178.3 | -85.1 | 0 | 0 | 0 | 113.1 | L1005 D1006 I1009 T1190 V1194 L1195 R1196 | L1005-Y1192 HydrophobicContact CD2-CD2 4.25Å; L1005-Y1192 HydrophobicContact CD2-CE2 3.77Å; D1006-Y1192 PolarHBondContact OD1-OH 2.95Å; I1009-Y1192 HydrophobicContact CD1-CE2 4.36Å; T1190-Y1192 VanDerWaalsContact C-N 3.28Å; T1190-Y1192 PolarHBondContact O-N 2.76Å; Y1192-V1194 VanDerWaalsContact C-N 3.27Å; Y1192-V1194 PolarHBondContact O-N 3.38Å; Y1192-L1195 PolarHBondContact O-N 2.93Å; Y1192-R1196 WeakPolarHBondContact O-CB 3.4Å; Y1192-R1196 PolarHBondContact O-N 2.84Å; Y1192-R1196 PolarHBondContact OH-NH1 3.45Å |
| 1193 | K | 84.2 | Confident | 79.1 | Confident | 77 Ų | 77 | 44 Ų | 44 | 34% | 0.335 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.1 | -42.8 | 176.2 | -75.9 | 178.9 | -177 | 176.1 | 0 | 111 | K1185 P1186 V1188 T1190 S1197 | K1185-K1193 PolarHBondContact O-NZ 3.49Å; P1186-K1193 PolarHBondContact O-NZ 2.97Å; V1188-K1193 WeakPolarHBondContact O-CD 3.12Å; V1188-K1193 PolarHBondContact O-NZ 2.9Å; T1190-K1193 PolarHBondContact O-N 3.1Å; T1190-K1193 WeakPolarHBondContact OG1-CG 3.4Å; T1190-K1193 PolarHBondContact OG1-N 2.9Å; K1193-S1197 WeakPolarHBondContact O-CB 3.35Å; K1193-S1197 PolarHBondContact O-N 3.26Å; K1193-S1197 VanDerWaalsContact O-N 3.09Å |
| 1194 | V | 87.5 | Confident | 80.4 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -47.7 | 178.9 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | L1140 L1143 A1144 N1189 T1190 L1191 Y1192 R1196 S1197 V1198 | L1140-V1194 HydrophobicContact CB-CG2 4.33Å; L1140-V1194 HydrophobicContact CD2-CG2 4.13Å; L1143-V1194 HydrophobicContact CB-CG1 4.06Å; L1143-V1194 HydrophobicContact CD2-CG1 3.89Å; L1143-V1194 HydrophobicContact CG-CG1 3.86Å; A1144-V1194 HydrophobicContact CB-CG1 3.96Å; A1144-V1194 HydrophobicContact CB-CG2 4.41Å; N1189-V1194 HydrophobicContact CB-CG2 4.15Å; T1190-V1194 WeakPolarHBondContact O-CG2 3.24Å; T1190-V1194 PolarHBondContact O-N 2.84Å; L1191-V1194 PolarHBondContact O-N 2.84Å; Y1192-V1194 VanDerWaalsContact C-N 3.27Å; Y1192-V1194 PolarHBondContact O-N 3.38Å; V1194-R1196 PolarHBondContact O-N 3.32Å; V1194-S1197 WeakPolarHBondContact O-CB 3.45Å; V1194-S1197 PolarHBondContact O-N 2.91Å; V1194-V1198 HydrophobicContact CG1-CG2 4.3Å; V1194-V1198 WeakPolarHBondContact O-CG2 3.43Å; V1194-V1198 PolarHBondContact O-N 2.96Å |
| 1195 | L | 87.6 | Confident | 81.5 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | 178.8 | -70.7 | 171.1 | 0 | 0 | 0 | 112.2 | L1191 Y1192 S1197 V1198 H1199 F1451 F1454 L1458 | L1191-L1195 HydrophobicContact CD1-CD1 4.3Å; L1191-L1195 HydrophobicContact CD1-CG 4.25Å; L1191-L1195 HydrophobicContact CG-CD1 3.99Å; L1191-L1195 HydrophobicContact CG-CG 4.39Å; L1191-L1195 WeakPolarHBondContact O-CG 3.45Å; L1191-L1195 PolarHBondContact O-N 2.77Å; Y1192-L1195 PolarHBondContact O-N 2.93Å; L1195-S1197 VanDerWaalsContact C-N 3.31Å; L1195-S1197 PolarHBondContact O-N 3.38Å; L1195-V1198 PolarHBondContact O-N 3.19Å; L1195-H1199 WeakPolarHBondContact O-CB 3.27Å; L1195-H1199 PolarHBondContact O-N 2.99Å; L1195-F1451 HydrophobicContact CB-CE2 4.27Å; L1195-F1451 HydrophobicContact CB-CZ 4.49Å; L1195-F1451 HydrophobicContact CD2-CD2 4.25Å; L1195-F1451 HydrophobicContact CD2-CE2 3.62Å; L1195-F1451 HydrophobicContact CD2-CZ 4.39Å; L1195-F1451 WeakPolarHBondContact O-CZ 3.2Å; L1195-F1454 HydrophobicContact CD2-CD1 4.17Å; L1195-F1454 HydrophobicContact CD2-CE1 4.04Å; L1195-L1458 HydrophobicContact CD1-CD1 3.75Å |
| 1196 | R | 84.9 | Confident | 82.3 | Confident | 107 Ų | 107 | 45.2 Ų | 45.2 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 176.4 | -164.5 | 166.9 | 178.8 | 132.1 | 1.5 | 111.9 | D1006 Y1192 V1194 S1200 | D1006-R1196 IonicContact OD1-NH1 2.65Å; D1006-R1196 IonicContact OD2-NH1 3.35Å; D1006-R1196 PolarHBondContact OD2-NH1 3.36Å; D1006-R1196 VanDerWaalsContact OD2-NH1 3.11Å; Y1192-R1196 WeakPolarHBondContact O-CB 3.4Å; Y1192-R1196 PolarHBondContact O-N 2.84Å; Y1192-R1196 PolarHBondContact OH-NH1 3.45Å; V1194-R1196 PolarHBondContact O-N 3.32Å; R1196-S1200 PolarHBondContact O-N 2.84Å |
| 1197 | S | 87.4 | Confident | 83.4 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.6 | -48.1 | 171.8 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | K1193 V1194 L1195 H1199 S1200 Q1201 | K1193-S1197 WeakPolarHBondContact O-CB 3.35Å; K1193-S1197 PolarHBondContact O-N 3.26Å; K1193-S1197 VanDerWaalsContact O-N 3.09Å; V1194-S1197 WeakPolarHBondContact O-CB 3.45Å; V1194-S1197 PolarHBondContact O-N 2.91Å; L1195-S1197 VanDerWaalsContact C-N 3.31Å; L1195-S1197 PolarHBondContact O-N 3.38Å; S1197-H1199 VanDerWaalsContact C-N 3.35Å; S1197-H1199 PolarHBondContact O-N 3.46Å; S1197-S1200 PolarHBondContact O-N 3.22Å; S1197-Q1201 VanDerWaalsContact O-CG 3.24Å; S1197-Q1201 WeakPolarHBondContact O-CG 3.45Å; S1197-Q1201 PolarHBondContact O-N 3.45Å; S1197-Q1201 PolarHBondContact OG-NE2 3.13Å |
| 1198 | V | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.8 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L1143 M1146 V1194 L1195 Q1201 I1202 F1451 | L1143-V1198 VanDerWaalsContact O-CG2 3.23Å; L1143-V1198 WeakPolarHBondContact O-CG2 3.39Å; M1146-V1198 HydrophobicContact CB-CG1 3.79Å; M1146-V1198 HydrophobicContact CB-CG2 4.37Å; M1146-V1198 HydrophobicContact SD-CG1 3.93Å; V1194-V1198 HydrophobicContact CG1-CG2 4.3Å; V1194-V1198 WeakPolarHBondContact O-CG2 3.43Å; V1194-V1198 PolarHBondContact O-N 2.96Å; L1195-V1198 PolarHBondContact O-N 3.19Å; V1198-Q1201 PolarHBondContact O-N 3.46Å; V1198-I1202 HydrophobicContact CG1-CD1 3.63Å; V1198-I1202 HydrophobicContact CG1-CG1 4.34Å; V1198-I1202 WeakPolarHBondContact O-CB 3.36Å; V1198-I1202 VanDerWaalsContact O-CG1 3.28Å; V1198-I1202 WeakPolarHBondContact O-CG1 3.39Å; V1198-I1202 PolarHBondContact O-N 3.01Å; V1198-F1451 HydrophobicContact CB-CD2 4.26Å; V1198-F1451 HydrophobicContact CB-CE2 3.97Å; V1198-F1451 HydrophobicContact CG1-CD2 3.53Å; V1198-F1451 HydrophobicContact CG1-CE2 3.75Å; V1198-F1451 HydrophobicContact CG1-CG 4.42Å |
| 1199 | H | 88.3 | Confident | 84.5 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -50.8 | 173.1 | 179.5 | -114 | 0 | 0 | 0 | 111.8 | I997 F1002 L1195 S1197 Q1201 I1202 V1203 F1451 | I997-H1199 WeakPolarHBondContact CG2-NE2 3.42Å; F1002-H1199 HydrophobicContact CE2-CB 4.21Å; F1002-H1199 AromaticContact CE2-CD2 3.72Å; F1002-H1199 AromaticContact CE2-CE1 3.57Å; F1002-H1199 AromaticContact CE2-CG 3.52Å; F1002-H1199 AromaticContact CE2-ND1 3.43Å; F1002-H1199 WeakPolarHBondContact CE2-ND1 3.23Å; F1002-H1199 AromaticContact CE2-NE2 3.76Å; F1002-H1199 HydrophobicContact CZ-CB 3.87Å; F1002-H1199 AromaticContact CZ-CG 3.71Å; F1002-H1199 AromaticContact CZ-ND1 3.9Å; L1195-H1199 WeakPolarHBondContact O-CB 3.27Å; L1195-H1199 PolarHBondContact O-N 2.99Å; S1197-H1199 VanDerWaalsContact C-N 3.35Å; S1197-H1199 PolarHBondContact O-N 3.46Å; H1199-Q1201 VanDerWaalsContact C-N 3.35Å; H1199-Q1201 PolarHBondContact O-N 2.95Å; H1199-I1202 PolarHBondContact O-N 3.16Å; H1199-I1202 VanDerWaalsContact O-N 3.16Å; H1199-V1203 WeakPolarHBondContact O-CG2 3.42Å; H1199-V1203 PolarHBondContact O-N 3.07Å; H1199-F1451 HydrophobicContact CB-CE1 4.03Å; H1199-F1451 HydrophobicContact CB-CZ 3.76Å |
| 1200 | S | 86.7 | Confident | 84.6 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 178 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | R1196 S1197 I1202 V1203 V1204 | R1196-S1200 PolarHBondContact O-N 2.84Å; S1197-S1200 PolarHBondContact O-N 3.22Å; S1200-I1202 PolarHBondContact O-N 3.46Å; S1200-V1203 PolarHBondContact O-N 3.16Å; S1200-V1204 WeakPolarHBondContact O-CG2 3.37Å; S1200-V1204 PolarHBondContact O-N 2.91Å |
| 1201 | Q | 87.4 | Confident | 84.6 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 174.7 | -65.7 | 164.3 | 19.3 | 0 | 0 | 112.3 | A1144 H1147 S1197 V1198 H1199 A1205 | A1144-Q1201 PolarHBondContact O-NE2 2.89Å; A1144-Q1201 PolarHBondContact O-OE1 3.41Å; H1147-Q1201 PolarHBondContact CE1-OE1 3.35Å; H1147-Q1201 PolarHBondContact ND1-OE1 3.44Å; S1197-Q1201 VanDerWaalsContact O-CG 3.24Å; S1197-Q1201 WeakPolarHBondContact O-CG 3.45Å; S1197-Q1201 PolarHBondContact O-N 3.45Å; S1197-Q1201 PolarHBondContact OG-NE2 3.13Å; V1198-Q1201 PolarHBondContact O-N 3.46Å; H1199-Q1201 VanDerWaalsContact C-N 3.35Å; H1199-Q1201 PolarHBondContact O-N 2.95Å; Q1201-A1205 WeakPolarHBondContact O-CB 3.28Å; Q1201-A1205 PolarHBondContact O-N 3.34Å |
| 1202 | I | 86.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 179.6 | -71.3 | 168.4 | 0 | 0 | 0 | 110.9 | V1198 H1199 S1200 A1205 S1206 W1212 L1444 F1451 | V1198-I1202 HydrophobicContact CG1-CD1 3.63Å; V1198-I1202 HydrophobicContact CG1-CG1 4.34Å; V1198-I1202 WeakPolarHBondContact O-CB 3.36Å; V1198-I1202 VanDerWaalsContact O-CG1 3.28Å; V1198-I1202 WeakPolarHBondContact O-CG1 3.39Å; V1198-I1202 PolarHBondContact O-N 3.01Å; H1199-I1202 PolarHBondContact O-N 3.16Å; H1199-I1202 VanDerWaalsContact O-N 3.16Å; S1200-I1202 PolarHBondContact O-N 3.46Å; I1202-A1205 PolarHBondContact O-N 3.05Å; I1202-S1206 VanDerWaalsContact O-CB 3.28Å; I1202-S1206 WeakPolarHBondContact O-CB 3.46Å; I1202-S1206 PolarHBondContact O-N 3.22Å; I1202-W1212 HydrophobicContact CG2-CH2 4.49Å; I1202-W1212 HydrophobicContact CG2-CZ2 4.26Å; I1202-L1444 HydrophobicContact CG1-CD1 4.36Å; I1202-F1451 HydrophobicContact CD1-CB 3.97Å; I1202-F1451 HydrophobicContact CD1-CD2 4.38Å; I1202-F1451 HydrophobicContact CD1-CG 4.07Å |
| 1203 | V | 85.6 | Confident | 84.4 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 34% | 0.339 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -55.1 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | H1199 S1200 A1205 S1206 E1207 | H1199-V1203 WeakPolarHBondContact O-CG2 3.42Å; H1199-V1203 PolarHBondContact O-N 3.07Å; S1200-V1203 PolarHBondContact O-N 3.16Å; V1203-A1205 VanDerWaalsContact C-N 3.29Å; V1203-A1205 PolarHBondContact O-N 3.07Å; V1203-S1206 WeakPolarHBondContact O-CB 3.49Å; V1203-S1206 PolarHBondContact O-N 2.92Å; V1203-S1206 PolarHBondContact O-OG 2.93Å; V1203-E1207 PolarHBondContact O-N 2.81Å |
| 1204 | V | 86.4 | Confident | 83.9 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.2 | -40.1 | 179 | 173 | 0 | 0 | 0 | 0 | 111.6 | S1200 | S1200-V1204 WeakPolarHBondContact O-CG2 3.37Å; S1200-V1204 PolarHBondContact O-N 2.91Å |
| 1205 | A | 82 | Confident | 83.3 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.5 | -31.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1201 I1202 V1203 E1207 S1208 L1444 | Q1201-A1205 WeakPolarHBondContact O-CB 3.28Å; Q1201-A1205 PolarHBondContact O-N 3.34Å; I1202-A1205 PolarHBondContact O-N 3.05Å; V1203-A1205 VanDerWaalsContact C-N 3.29Å; V1203-A1205 PolarHBondContact O-N 3.07Å; A1205-E1207 VanDerWaalsContact C-N 3.33Å; A1205-E1207 PolarHBondContact O-N 3.07Å; A1205-S1208 PolarHBondContact O-N 3.16Å; A1205-S1208 PolarHBondContact O-OG 3.04Å; A1205-L1444 HydrophobicContact CB-CD1 3.68Å; A1205-L1444 HydrophobicContact CB-CD2 3.58Å; A1205-L1444 HydrophobicContact CB-CG 4.29Å |
| 1206 | S | 82.7 | Confident | 82.7 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -33.3 | 177.1 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | I1202 V1203 S1208 V1209 W1212 | I1202-S1206 VanDerWaalsContact O-CB 3.28Å; I1202-S1206 WeakPolarHBondContact O-CB 3.46Å; I1202-S1206 PolarHBondContact O-N 3.22Å; V1203-S1206 WeakPolarHBondContact O-CB 3.49Å; V1203-S1206 PolarHBondContact O-N 2.92Å; V1203-S1206 PolarHBondContact O-OG 2.93Å; S1206-S1208 PolarHBondContact O-N 2.75Å; S1206-V1209 PolarHBondContact O-N 3.4Å; S1206-V1209 VanDerWaalsContact O-N 3.14Å; S1206-W1212 VanDerWaalsContact CB-CE2 3.45Å |
| 1207 | E | 83 | Confident | 82.1 | Confident | 158 Ų | 158 | 62.2 Ų | 62.2 | 74% | 0.738 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.9 | -27.3 | 174.8 | -64.9 | -178.8 | 171.2 | 0 | 0 | 112.3 | V1203 A1205 V1209 | V1203-E1207 PolarHBondContact O-N 2.81Å; A1205-E1207 VanDerWaalsContact C-N 3.33Å; A1205-E1207 PolarHBondContact O-N 3.07Å; E1207-V1209 VanDerWaalsContact C-N 3.29Å; E1207-V1209 PolarHBondContact O-N 3.06Å |
| 1208 | S | 81.3 | Confident | 81.2 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 68% | 0.678 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.9 | 175.9 | 78.3 | 0 | 0 | 0 | 0 | 114.6 | A1205 S1206 | A1205-S1208 PolarHBondContact O-N 3.16Å; A1205-S1208 PolarHBondContact O-OG 3.04Å; S1206-S1208 PolarHBondContact O-N 2.75Å |
| 1209 | V | 80.4 | Confident | 80.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -114.5 | 108.2 | -173.3 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | S1206 E1207 Q1211 W1212 L1215 T1441 L1444 | S1206-V1209 PolarHBondContact O-N 3.4Å; S1206-V1209 VanDerWaalsContact O-N 3.14Å; E1207-V1209 VanDerWaalsContact C-N 3.29Å; E1207-V1209 PolarHBondContact O-N 3.06Å; V1209-Q1211 PolarHBondContact O-N 3.43Å; V1209-W1212 HydrophobicContact CB-CE3 4.15Å; V1209-W1212 HydrophobicContact CG1-CE3 4.14Å; V1209-W1212 PolarHBondContact O-N 2.9Å; V1209-L1215 HydrophobicContact CG1-CD1 3.58Å; V1209-T1441 HydrophobicContact CG1-CG2 3.7Å; V1209-T1441 HydrophobicContact CG2-CG2 3.99Å; V1209-L1444 HydrophobicContact CG2-CD2 4Å |
| 1210 | E | 78.8 | Confident | 79.4 | Confident | 175 Ų | 175 | 63.8 Ų | 63.8 | 82% | 0.818 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 136.9 | 173.4 | -69.1 | -171.1 | -173.2 | 0 | 0 | 111.9 | W1212 | E1210-W1212 PolarHBondContact O-N 3.02Š|
| 1211 | Q | 80.7 | Confident | 78.3 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 27.4 | -179 | -46.7 | -170.5 | 14.7 | 0 | 0 | 115.2 | V1209 K1213 S1214 L1215 Y1240 | V1209-Q1211 PolarHBondContact O-N 3.43Å; Q1211-K1213 VanDerWaalsContact C-N 3.31Å; Q1211-K1213 PolarHBondContact O-N 3.2Å; Q1211-S1214 WeakPolarHBondContact O-CA 3.42Å; Q1211-S1214 VanDerWaalsContact O-CB 3.22Å; Q1211-S1214 WeakPolarHBondContact O-CB 3.31Å; Q1211-S1214 PolarHBondContact O-N 3.1Å; Q1211-L1215 PolarHBondContact O-N 3.12Å; Q1211-L1215 VanDerWaalsContact O-N 3.09Å; Q1211-Y1240 PolarHBondContact NE2-O 2.88Å |
| 1212 | W | 82.3 | Confident | 76.8 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 19% | 0.186 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -35.2 | -53.4 | 178.4 | 175 | -108.9 | 0 | 0 | 0 | 115.2 | I1202 S1206 V1209 E1210 S1214 L1215 V1216 L1444 V1445 S1448 | I1202-W1212 HydrophobicContact CG2-CH2 4.49Å; I1202-W1212 HydrophobicContact CG2-CZ2 4.26Å; S1206-W1212 VanDerWaalsContact CB-CE2 3.45Å; V1209-W1212 HydrophobicContact CB-CE3 4.15Å; V1209-W1212 HydrophobicContact CG1-CE3 4.14Å; V1209-W1212 PolarHBondContact O-N 2.9Å; E1210-W1212 PolarHBondContact O-N 3.02Å; W1212-S1214 VanDerWaalsContact C-N 3.31Å; W1212-S1214 PolarHBondContact O-N 3.16Å; W1212-L1215 PolarHBondContact O-N 2.9Å; W1212-L1215 VanDerWaalsContact O-N 3.08Å; W1212-V1216 HydrophobicContact CD2-CG2 3.88Å; W1212-V1216 HydrophobicContact CE3-CG2 4.31Å; W1212-V1216 HydrophobicContact CG-CG2 4.44Å; W1212-V1216 HydrophobicContact CH2-CG2 4.14Å; W1212-V1216 HydrophobicContact CZ2-CG2 3.68Å; W1212-V1216 HydrophobicContact CZ3-CG2 4.43Å; W1212-V1216 WeakPolarHBondContact O-CG2 3.32Å; W1212-V1216 PolarHBondContact O-N 3.26Å; W1212-L1444 HydrophobicContact CH2-CD2 4.43Å; W1212-L1444 HydrophobicContact CH2-CG 3.97Å; W1212-L1444 HydrophobicContact CZ3-CD2 3.89Å; W1212-L1444 HydrophobicContact CZ3-CG 3.82Å; W1212-V1445 HydrophobicContact CE3-CG2 3.91Å; W1212-V1445 HydrophobicContact CH2-CG2 4.22Å; W1212-V1445 HydrophobicContact CZ3-CB 4.36Å; W1212-V1445 HydrophobicContact CZ3-CG2 3.47Å; W1212-V1445 VanDerWaalsContact CZ3-CG2 3.47Å; W1212-S1448 WeakPolarHBondContact CH2-OG 3.39Å; W1212-S1448 WeakPolarHBondContact CZ2-OG 3.46Å |
| 1213 | K | 80.2 | Confident | 75.4 | Confident | 150 Ų | 150 | 65 Ų | 65 | 65% | 0.652 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59 | -38.5 | 179.1 | -65.5 | -165.4 | 177 | -163.7 | 0 | 113.3 | Q1211 F1217 | Q1211-K1213 VanDerWaalsContact C-N 3.31Å; Q1211-K1213 PolarHBondContact O-N 3.2Å; K1213-F1217 VanDerWaalsContact O-CB 3.29Å; K1213-F1217 WeakPolarHBondContact O-CB 3.35Å; K1213-F1217 PolarHBondContact O-N 3.15Å |
| 1214 | S | 72.8 | Confident | 73.8 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 175.1 | -172.5 | 0 | 0 | 0 | 0 | 111 | Q1211 W1212 R1218 | Q1211-S1214 WeakPolarHBondContact O-CA 3.42Å; Q1211-S1214 VanDerWaalsContact O-CB 3.22Å; Q1211-S1214 WeakPolarHBondContact O-CB 3.31Å; Q1211-S1214 PolarHBondContact O-N 3.1Å; W1212-S1214 VanDerWaalsContact C-N 3.31Å; W1212-S1214 PolarHBondContact O-N 3.16Å; S1214-R1218 VanDerWaalsContact O-CB 3.3Å; S1214-R1218 WeakPolarHBondContact O-CB 3.32Å; S1214-R1218 WeakPolarHBondContact O-CD 3.44Å; S1214-R1218 WeakPolarHBondContact O-CG 3.24Å; S1214-R1218 PolarHBondContact O-N 3.1Å; S1214-R1218 PolarHBondContact OG-NE 3.24Å |
| 1215 | L | 75.8 | Confident | 71.7 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69 | -44.1 | 178 | -60.3 | -175.7 | 0 | 0 | 0 | 112.5 | V1209 Q1211 W1212 R1218 A1219 Y1240 I1437 T1441 V1445 | V1209-L1215 HydrophobicContact CG1-CD1 3.58Å; Q1211-L1215 PolarHBondContact O-N 3.12Å; Q1211-L1215 VanDerWaalsContact O-N 3.09Å; W1212-L1215 PolarHBondContact O-N 2.9Å; W1212-L1215 VanDerWaalsContact O-N 3.08Å; L1215-R1218 PolarHBondContact O-N 3.43Å; L1215-A1219 VanDerWaalsContact O-CB 3.24Å; L1215-A1219 WeakPolarHBondContact O-CB 3.3Å; L1215-A1219 PolarHBondContact O-N 3.17Å; L1215-Y1240 HydrophobicContact CD2-CE1 3.98Å; L1215-Y1240 WeakPolarHBondContact CD2-OH 3.44Å; L1215-I1437 HydrophobicContact CD1-CD1 4.27Å; L1215-I1437 HydrophobicContact CD2-CD1 3.57Å; L1215-T1441 HydrophobicContact CD1-CG2 4.29Å; L1215-V1445 HydrophobicContact CB-CG2 4.04Å |
| 1216 | V | 75.6 | Confident | 69.7 | Low | 16 Ų | 16 | 66.7 Ų | 66.7 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | W1212 A1219 R1220 V1445 I1449 | W1212-V1216 HydrophobicContact CD2-CG2 3.88Å; W1212-V1216 HydrophobicContact CE3-CG2 4.31Å; W1212-V1216 HydrophobicContact CG-CG2 4.44Å; W1212-V1216 HydrophobicContact CH2-CG2 4.14Å; W1212-V1216 HydrophobicContact CZ2-CG2 3.68Å; W1212-V1216 HydrophobicContact CZ3-CG2 4.43Å; W1212-V1216 WeakPolarHBondContact O-CG2 3.32Å; W1212-V1216 PolarHBondContact O-N 3.26Å; V1216-A1219 PolarHBondContact O-N 3.03Å; V1216-R1220 HydrophobicContact CG1-CG 4.46Å; V1216-R1220 WeakPolarHBondContact O-CB 3.47Å; V1216-R1220 WeakPolarHBondContact O-CG 3.23Å; V1216-R1220 PolarHBondContact O-N 3.23Å; V1216-V1445 HydrophobicContact CG2-CG1 4.21Å; V1216-I1449 HydrophobicContact CG1-CG1 4.18Å |
| 1217 | F | 72 | Confident | 67.4 | Low | 116 Ų | 116 | 68.7 Ų | 68.7 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 174 | -179.9 | -97.5 | 0 | 0 | 0 | 111.8 | K1213 A1219 R1220 V1221 | K1213-F1217 VanDerWaalsContact O-CB 3.29Å; K1213-F1217 WeakPolarHBondContact O-CB 3.35Å; K1213-F1217 PolarHBondContact O-N 3.15Å; F1217-A1219 VanDerWaalsContact C-N 3.28Å; F1217-A1219 PolarHBondContact O-N 3.23Å; F1217-R1220 PolarHBondContact O-N 2.7Å; F1217-V1221 HydrophobicContact CD1-CG2 4.29Å; F1217-V1221 HydrophobicContact CE1-CG2 3.9Å; F1217-V1221 HydrophobicContact CE2-CG2 4.26Å; F1217-V1221 HydrophobicContact CZ-CG2 3.89Å; F1217-V1221 WeakPolarHBondContact O-CB 3.36Å; F1217-V1221 WeakPolarHBondContact O-CG2 3.2Å; F1217-V1221 PolarHBondContact O-N 3.38Å |
| 1218 | R | 67.8 | Low | 65 | Low | 61 Ų | 61 | 66.7 Ų | 66.7 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.8 | -35.9 | 176.8 | -72.2 | 168.8 | -171.4 | -164.8 | 0.5 | 112.3 | S1214 L1215 Y1222 F1239 Y1240 | S1214-R1218 VanDerWaalsContact O-CB 3.3Å; S1214-R1218 WeakPolarHBondContact O-CB 3.32Å; S1214-R1218 WeakPolarHBondContact O-CD 3.44Å; S1214-R1218 WeakPolarHBondContact O-CG 3.24Å; S1214-R1218 PolarHBondContact O-N 3.1Å; S1214-R1218 PolarHBondContact OG-NE 3.24Å; L1215-R1218 PolarHBondContact O-N 3.43Å; R1218-Y1222 WeakPolarHBondContact O-CB 3.33Å; R1218-Y1222 PolarHBondContact O-N 3.14Å; R1218-F1239 VanDerWaalsContact CZ-CD1 3.45Å; R1218-F1239 VanDerWaalsContact CZ-CE1 3.43Å; R1218-F1239 VanDerWaalsContact NH2-CD1 3.3Å; R1218-F1239 VanDerWaalsContact NH2-CE1 3.3Å; R1218-F1239 PolarHBondContact NH2-O 3.34Å; R1218-Y1240 VanDerWaalsContact NH1-CE1 3.27Å; R1218-Y1240 PolarHBondContact NH1-OH 3.07Å; R1218-Y1240 VanDerWaalsContact NH1-OH 3.11Å |
| 1219 | A | 71.3 | Confident | 62.6 | Low | 11 Ų | 11 | 63.2 Ų | 63.2 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -76.1 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L1215 V1216 F1217 V1221 Y1222 L1223 V1445 F1446 I1449 | L1215-A1219 VanDerWaalsContact O-CB 3.24Å; L1215-A1219 WeakPolarHBondContact O-CB 3.3Å; L1215-A1219 PolarHBondContact O-N 3.17Å; V1216-A1219 PolarHBondContact O-N 3.03Å; F1217-A1219 VanDerWaalsContact C-N 3.28Å; F1217-A1219 PolarHBondContact O-N 3.23Å; A1219-V1221 VanDerWaalsContact C-N 3.33Å; A1219-Y1222 PolarHBondContact O-N 2.9Å; A1219-L1223 WeakPolarHBondContact O-CG 3.3Å; A1219-L1223 PolarHBondContact O-N 3.41Å; A1219-V1445 HydrophobicContact CB-CG1 3.42Å; A1219-V1445 VanDerWaalsContact CB-CG1 3.42Å; A1219-F1446 HydrophobicContact CB-CD1 4.39Å; A1219-F1446 HydrophobicContact CB-CE1 4.09Å; A1219-I1449 HydrophobicContact CB-CD1 3.61Å |
| 1220 | R | 68.3 | Low | 60.2 | Low | 48 Ų | 48 | 66.6 Ų | 66.6 | 18% | 0.181 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 169.4 | -75.6 | -177.1 | 168.5 | -85 | 1.2 | 110.5 | V1216 F1217 N1224 I1449 D1452 E1453 | V1216-R1220 HydrophobicContact CG1-CG 4.46Å; V1216-R1220 WeakPolarHBondContact O-CB 3.47Å; V1216-R1220 WeakPolarHBondContact O-CG 3.23Å; V1216-R1220 PolarHBondContact O-N 3.23Å; F1217-R1220 PolarHBondContact O-N 2.7Å; R1220-N1224 WeakPolarHBondContact O-CB 3.42Å; R1220-N1224 PolarHBondContact O-N 3.47Å; R1220-I1449 HydrophobicContact CB-CD1 4.44Å; R1220-I1449 HydrophobicContact CG-CD1 3.6Å; R1220-I1449 HydrophobicContact CG-CG1 3.73Å; R1220-I1449 HydrophobicContact CG-CG2 4.15Å; R1220-D1452 IonicContact CZ-OD2 2.8Å; R1220-D1452 VanDerWaalsContact NH2-CB 3.31Å; R1220-D1452 IonicContact NH2-OD2 3.34Å; R1220-D1452 PolarHBondContact NH2-OD2 3.04Å; R1220-E1453 IonicContact CZ-OE1 3.39Å; R1220-E1453 VanDerWaalsContact CZ-OE1 3.29Å; R1220-E1453 IonicContact NH1-OE1 2.77Å; R1220-E1453 PolarHBondContact NH1-OE1 3.05Å; R1220-E1453 IonicContact NH2-OE1 3.79Å; R1220-E1453 PolarHBondContact NH2-OE1 3.09Å |
| 1221 | V | 62.4 | Low | 57.8 | Low | 56 Ų | 56 | 65.8 Ų | 65.8 | 34% | 0.339 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 173.2 | 172.3 | 0 | 0 | 0 | 0 | 112 | F1217 A1219 N1224 I1225 | F1217-V1221 HydrophobicContact CD1-CG2 4.29Å; F1217-V1221 HydrophobicContact CE1-CG2 3.9Å; F1217-V1221 HydrophobicContact CE2-CG2 4.26Å; F1217-V1221 HydrophobicContact CZ-CG2 3.89Å; F1217-V1221 WeakPolarHBondContact O-CB 3.36Å; F1217-V1221 WeakPolarHBondContact O-CG2 3.2Å; F1217-V1221 PolarHBondContact O-N 3.38Å; A1219-V1221 VanDerWaalsContact C-N 3.33Å; V1221-N1224 CarbonylContact O-C 3.54Å; V1221-N1224 WeakPolarHBondContact O-CA 3.45Å; V1221-N1224 PolarHBondContact O-N 3.36Å; V1221-I1225 HydrophobicContact CG1-CD1 3.67Å; V1221-I1225 HydrophobicContact CG1-CG1 4.14Å; V1221-I1225 WeakPolarHBondContact O-CG1 3.22Å; V1221-I1225 PolarHBondContact O-N 3.15Å |
| 1222 | Y | 56.5 | Low | 55.5 | Low | 69 Ų | 69 | 66.7 Ų | 66.7 | 27% | 0.271 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 177.1 | 173.3 | -97.6 | 0 | 0 | 0 | 112.4 | R1218 A1219 N1224 I1225 V1226 F1446 | R1218-Y1222 WeakPolarHBondContact O-CB 3.33Å; R1218-Y1222 PolarHBondContact O-N 3.14Å; A1219-Y1222 PolarHBondContact O-N 2.9Å; Y1222-N1224 PolarHBondContact O-N 3.45Å; Y1222-I1225 PolarHBondContact O-N 3Å; Y1222-I1225 VanDerWaalsContact O-N 3.13Å; Y1222-V1226 HydrophobicContact CD2-CB 4.33Å; Y1222-V1226 HydrophobicContact CE2-CB 4Å; Y1222-V1226 HydrophobicContact CE2-CG1 4.37Å; Y1222-V1226 PolarHBondContact O-N 3.38Å; Y1222-F1446 HydrophobicContact CD1-CE1 4.41Å; Y1222-F1446 HydrophobicContact CD1-CZ 4.15Å; Y1222-F1446 HydrophobicContact CE1-CZ 4.35Å |
| 1223 | L | 58.2 | Low | 53.1 | Low | 23 Ų | 23 | 68.4 Ų | 68.4 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 173.4 | -65.7 | 173.6 | 0 | 0 | 0 | 111.6 | F1151 A1219 F1446 I1449 | F1151-L1223 HydrophobicContact CE1-CD2 4.36Å; F1151-L1223 HydrophobicContact CE2-CD1 4Å; F1151-L1223 HydrophobicContact CE2-CD2 3.73Å; F1151-L1223 HydrophobicContact CZ-CD2 3.54Å; A1219-L1223 WeakPolarHBondContact O-CG 3.3Å; A1219-L1223 PolarHBondContact O-N 3.41Å; L1223-F1446 HydrophobicContact CD1-CD1 4.02Å; L1223-F1446 HydrophobicContact CD1-CE1 4.05Å; L1223-F1446 HydrophobicContact CD2-CE1 4.04Å; L1223-F1446 HydrophobicContact CG-CD1 4.44Å; L1223-F1446 HydrophobicContact CG-CE1 3.97Å; L1223-I1449 HydrophobicContact CD1-CD1 4.31Å; L1223-I1449 HydrophobicContact CD1-CG2 4.12Å |
| 1224 | N | 51.4 | Low | 50.7 | Low | 64 Ų | 64 | 69.6 Ų | 69.6 | 34% | 0.342 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 32.4 | 173.1 | -62.6 | -9.8 | 0 | 0 | 0 | 113.5 | Y660 R1220 V1221 Y1222 | Y660-N1224 HydrophobicContact CD1-CB 4.44Å; Y660-N1224 HydrophobicContact CD2-CB 4.5Å; Y660-N1224 HydrophobicContact CE1-CB 4.03Å; Y660-N1224 WeakPolarHBondContact CE1-O 3.33Å; Y660-N1224 HydrophobicContact CE2-CB 4.04Å; Y660-N1224 PolarHBondContact OH-O 2.92Å; Y660-N1224 VanDerWaalsContact OH-O 3.1Å; R1220-N1224 WeakPolarHBondContact O-CB 3.42Å; R1220-N1224 PolarHBondContact O-N 3.47Å; V1221-N1224 CarbonylContact O-C 3.54Å; V1221-N1224 WeakPolarHBondContact O-CA 3.45Å; V1221-N1224 PolarHBondContact O-N 3.36Å; Y1222-N1224 PolarHBondContact O-N 3.45Å |
| 1225 | I | 43.2 | Very low | 48.6 | Very low | 102 Ų | 102 | 70 Ų | 70 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.7 | -47.2 | 162 | -62.6 | -178.7 | 0 | 0 | 0 | 111.1 | V1221 Y1222 | V1221-I1225 HydrophobicContact CG1-CD1 3.67Å; V1221-I1225 HydrophobicContact CG1-CG1 4.14Å; V1221-I1225 WeakPolarHBondContact O-CG1 3.22Å; V1221-I1225 PolarHBondContact O-N 3.15Å; Y1222-I1225 PolarHBondContact O-N 3Å; Y1222-I1225 VanDerWaalsContact O-N 3.13Å |
| 1226 | V | 38.3 | Very low | 46.4 | Very low | 41 Ų | 41 | 73.3 Ų | 73.3 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | trans | -121 | 100.1 | -161.8 | -173 | 0 | 0 | 0 | 0 | 113.3 | Y1222 | Y1222-V1226 HydrophobicContact CD2-CB 4.33Å; Y1222-V1226 HydrophobicContact CE2-CB 4Å; Y1222-V1226 HydrophobicContact CE2-CG1 4.37Å; Y1222-V1226 PolarHBondContact O-N 3.38Å | ||
| 1227 | W | 35.2 | Very low | 44.2 | Very low | 64 Ų | 64 | 75.2 Ų | 75.2 | 24% | 0.242 | 38% | 0.381 | C | S | . | . | trans | -147.3 | 79 | 147.1 | -113.7 | 89.2 | 0 | 0 | 0 | 110.3 | A306 F1152 | A306-W1227 HydrophobicContact CB-CH2 3.61Å; A306-W1227 HydrophobicContact CB-CZ2 4.01Å; A306-W1227 HydrophobicContact CB-CZ3 3.94Å; A306-W1227 VanDerWaalsContact N-CH2 3.3Å; F1152-W1227 HydrophobicContact CZ-CZ2 4.22Å | ||
| 1228 | P | 33 | Very low | 42.3 | Very low | 116 Ų | 116 | 74.8 Ų | 74.8 | 75% | 0.753 | 38% | 0.384 | S | S | * | . | S | Bend | -130.1 | 111.6 | 115.6 | 34.7 | -26.6 | 0 | 0 | 0 | 112.3 | |||
| 1229 | G | 29.9 | Very low | 40.6 | Very low | 25 Ų | 25 | 77.8 Ų | 77.8 | 26% | 0.258 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 111.6 | 151.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1231 | G1229-F1231 PolarHBondContact O-N 2.88Š|
| 1230 | P | 30.4 | Very low | 38.7 | Very low | 89 Ų | 89 | 79.7 Ų | 79.7 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | trans | -88.4 | 71.2 | -166.9 | 36.5 | -37.4 | 0 | 0 | 0 | 113.1 | K1232 | P1230-K1232 PolarHBondContact O-N 3.45Š| ||
| 1231 | F | 28.4 | Very low | 36.7 | Very low | 159 Ų | 159 | 81.2 Ų | 81.2 | 70% | 0.697 | 42% | 0.419 | S | S | * | . | trans | -72.7 | 128.7 | 175.2 | -91 | -81.5 | 0 | 0 | 0 | 113 | G1229 | G1229-F1231 PolarHBondContact O-N 2.88Š| ||
| 1232 | K | 33.2 | Very low | 35 | Very low | 91 Ų | 91 | 84.4 Ų | 84.4 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | trans | -73.3 | 129.4 | 171.1 | -171 | 172.8 | -173.9 | -72.8 | 0 | 109.3 | Y265 P1230 K1234 D1436 | Y265-K1232 HydrophobicContact CE2-CD 4.01Å; Y265-K1232 WeakPolarHBondContact OH-CD 3.34Å; Y265-K1232 VanDerWaalsContact OH-CE 3.23Å; Y265-K1232 WeakPolarHBondContact OH-CE 3.33Å; P1230-K1232 PolarHBondContact O-N 3.45Å; K1232-K1234 VanDerWaalsContact C-N 3.25Å; K1232-K1234 PolarHBondContact O-N 2.8Å; K1232-D1436 IonicContact NZ-OD1 2.63Å; K1232-D1436 PolarHBondContact NZ-OD1 2.83Å; K1232-D1436 IonicContact NZ-OD2 3.2Å; K1232-D1436 PolarHBondContact NZ-OD2 2.76Å | ||
| 1233 | M | 30.9 | Very low | 33.5 | Very low | 84 Ų | 84 | 90.5 Ų | 90.5 | 41% | 0.414 | 47% | 0.467 | S | S | . | . | trans | -70.7 | 71.9 | -175.8 | -169.9 | -175.9 | 71 | 0 | 0 | 112.5 | I1235 I1437 | M1233-I1235 HydrophobicContact CE-CD1 3.92Å; M1233-I1235 HydrophobicContact CE-CG1 4.48Å; M1233-I1235 HydrophobicContact CG-CD1 4.07Å; M1233-I1235 HydrophobicContact CG-CG1 3.87Å; M1233-I1235 PolarHBondContact O-N 2.79Å; M1233-I1235 VanDerWaalsContact O-N 3.11Å; M1233-I1235 HydrophobicContact SD-CD1 4.04Å; M1233-I1235 HydrophobicContact SD-CG1 4.5Å; M1233-I1437 HydrophobicContact CE-CB 3.76Å; M1233-I1437 HydrophobicContact CE-CD1 3.69Å; M1233-I1437 HydrophobicContact CE-CG1 3.72Å | ||
| 1234 | K | 29.7 | Very low | 32 | Very low | 175 Ų | 175 | 97.5 Ų | 97.5 | 76% | 0.761 | 50% | 0.499 | S | S | * | . | trans | -71.9 | 96.8 | 167.7 | -85.2 | -167.7 | 171.4 | -171.7 | 0 | 109.3 | K1232 | K1232-K1234 VanDerWaalsContact C-N 3.25Å; K1232-K1234 PolarHBondContact O-N 2.8Å | ||
| 1235 | I | 29.1 | Very low | 30.8 | Very low | 45 Ų | 45 | 102.2 Ų | 102.2 | 23% | 0.231 | 52% | 0.524 | C | S | . | . | trans | -86.9 | 136.1 | 166.6 | -49.7 | -177.6 | 0 | 0 | 0 | 107.4 | M1233 F1239 Y1240 I1437 | M1233-I1235 HydrophobicContact CE-CD1 3.92Å; M1233-I1235 HydrophobicContact CE-CG1 4.48Å; M1233-I1235 HydrophobicContact CG-CD1 4.07Å; M1233-I1235 HydrophobicContact CG-CG1 3.87Å; M1233-I1235 PolarHBondContact O-N 2.79Å; M1233-I1235 VanDerWaalsContact O-N 3.11Å; M1233-I1235 HydrophobicContact SD-CD1 4.04Å; M1233-I1235 HydrophobicContact SD-CG1 4.5Å; I1235-F1239 HydrophobicContact CG2-CB 4.06Å; I1235-F1239 HydrophobicContact CG2-CD1 3.88Å; I1235-F1239 HydrophobicContact CG2-CG 4.45Å; I1235-Y1240 HydrophobicContact CB-CE2 4.12Å; I1235-Y1240 HydrophobicContact CD1-CE2 3.96Å; I1235-Y1240 WeakPolarHBondContact CD1-OH 3.46Å; I1235-Y1240 HydrophobicContact CG2-CD2 4.25Å; I1235-Y1240 HydrophobicContact CG2-CE2 3.62Å; I1235-I1437 HydrophobicContact CD1-CD1 4.32Å | ||
| 1236 | D | 29.8 | Very low | 30 | Very low | 85 Ų | 85 | 103.2 Ų | 103.2 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | trans | -56.8 | 124.5 | 170.8 | 166.1 | 16.2 | 0 | 0 | 0 | 109.2 | N1238 F1239 | D1236-N1238 PolarHBondContact O-N 2.77Å; D1236-N1238 WeakPolarHBondContact OD1-CB 3.29Å; D1236-N1238 PolarHBondContact OD1-N 2.87Å; D1236-N1238 PolarHBondContact OD1-ND2 3.39Å; D1236-F1239 HydrophobicContact CB-CB 4.12Å; D1236-F1239 WeakPolarHBondContact O-CB 3.34Å; D1236-F1239 PolarHBondContact O-N 3Å | ||
| 1237 | P | 29.3 | Very low | 29.4 | Very low | 56 Ų | 56 | 110.7 Ų | 110.7 | 36% | 0.364 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -59.8 | -19.9 | -179.2 | 24.1 | -34.4 | 0 | 0 | 0 | 113.5 | P1433 | P1237-P1433 WeakPolarHBondContact CB-O 3.3Š|
| 1238 | N | 32.7 | Very low | 28.9 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 57% | 0.572 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -77 | -22 | 173.9 | -56.4 | -80.5 | 0 | 0 | 0 | 112.9 | D1236 Y1240 T1241 | D1236-N1238 PolarHBondContact O-N 2.77Å; D1236-N1238 WeakPolarHBondContact OD1-CB 3.29Å; D1236-N1238 PolarHBondContact OD1-N 2.87Å; D1236-N1238 PolarHBondContact OD1-ND2 3.39Å; N1238-Y1240 PolarHBondContact O-N 2.83Å; N1238-T1241 PolarHBondContact O-N 3.33Å; N1238-T1241 PolarHBondContact O-OG1 3.34Å |
| 1239 | F | 31.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 54% | 0.544 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -74 | 10.2 | -175 | -159.3 | -120 | 0 | 0 | 0 | 114.6 | R1218 I1235 D1236 | R1218-F1239 VanDerWaalsContact CZ-CD1 3.45Å; R1218-F1239 VanDerWaalsContact CZ-CE1 3.43Å; R1218-F1239 VanDerWaalsContact NH2-CD1 3.3Å; R1218-F1239 VanDerWaalsContact NH2-CE1 3.3Å; R1218-F1239 PolarHBondContact NH2-O 3.34Å; I1235-F1239 HydrophobicContact CG2-CB 4.06Å; I1235-F1239 HydrophobicContact CG2-CD1 3.88Å; I1235-F1239 HydrophobicContact CG2-CG 4.45Å; D1236-F1239 HydrophobicContact CB-CB 4.12Å; D1236-F1239 WeakPolarHBondContact O-CB 3.34Å; D1236-F1239 PolarHBondContact O-N 3Å |
| 1240 | Y | 30.7 | Very low | 28.5 | Very low | 51 Ų | 51 | 129.1 Ų | 129.1 | 20% | 0.2 | 64% | 0.636 | C | S | . | * | G | 310 helix | trans | -116.5 | -6.5 | 169.2 | -76 | -72.8 | 0 | 0 | 0 | 113.3 | Q1211 L1215 R1218 I1235 N1238 T1242 | Q1211-Y1240 PolarHBondContact NE2-O 2.88Å; L1215-Y1240 HydrophobicContact CD2-CE1 3.98Å; L1215-Y1240 WeakPolarHBondContact CD2-OH 3.44Å; R1218-Y1240 VanDerWaalsContact NH1-CE1 3.27Å; R1218-Y1240 PolarHBondContact NH1-OH 3.07Å; R1218-Y1240 VanDerWaalsContact NH1-OH 3.11Å; I1235-Y1240 HydrophobicContact CB-CE2 4.12Å; I1235-Y1240 HydrophobicContact CD1-CE2 3.96Å; I1235-Y1240 WeakPolarHBondContact CD1-OH 3.46Å; I1235-Y1240 HydrophobicContact CG2-CD2 4.25Å; I1235-Y1240 HydrophobicContact CG2-CE2 3.62Å; N1238-Y1240 PolarHBondContact O-N 2.83Å; Y1240-T1242 PolarHBondContact O-N 2.83Å |
| 1241 | T | 27.7 | Very low | 28.2 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 49% | 0.491 | 65% | 0.652 | S | S | . | * | trans | -85 | 97.7 | -172.8 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | N1238 K1243 | N1238-T1241 PolarHBondContact O-N 3.33Å; N1238-T1241 PolarHBondContact O-OG1 3.34Å; T1241-K1243 VanDerWaalsContact C-N 3.3Å; T1241-K1243 PolarHBondContact O-N 2.89Å | ||
| 1242 | T | 25.4 | Very low | 28.1 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | trans | -72.2 | 81.6 | 169.8 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | Y1240 E1244 | Y1240-T1242 PolarHBondContact O-N 2.83Å; T1242-E1244 PolarHBondContact O-N 3.38Å | ||
| 1243 | K | 26.1 | Very low | 27.8 | Very low | 198 Ų | 198 | 138.2 Ų | 138.2 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -80.4 | 54 | 175.4 | -93.1 | -172.5 | 175.8 | 174.5 | 0 | 113.3 | T1241 | T1241-K1243 VanDerWaalsContact C-N 3.3Å; T1241-K1243 PolarHBondContact O-N 2.89Å | ||
| 1244 | E | 26.5 | Very low | 27.8 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -127.9 | 147.2 | 158.5 | -68.9 | -159.4 | 139.7 | 0 | 0 | 110 | T1242 | T1242-E1244 PolarHBondContact O-N 3.38Š|
| 1245 | N | 25.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 63.8 | 55.1 | 177.8 | -63.9 | -45.8 | 0 | 0 | 0 | 118.1 | ||
| 1246 | S | 26.4 | Very low | 27.5 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -137.3 | 58.1 | 143.5 | -161.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1247 | Q | 26.1 | Very low | 27.3 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | -146.2 | 43.9 | 176.1 | -124.6 | 167.6 | -1.1 | 0 | 0 | 113.8 | ||||
| 1248 | R | 25 | Very low | 27.4 | Very low | 237 Ų | 237 | 148.5 Ų | 148.5 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -122.4 | 143.8 | 157 | -94.5 | -179.3 | 168.4 | 168.8 | -2.9 | 109.3 | ||||
| 1249 | N | 25.6 | Very low | 27 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 70 | 79.4 | 176.7 | -54.5 | -19.3 | 0 | 0 | 0 | 117.3 | ||
| 1250 | K | 28.2 | Very low | 26.9 | Very low | 204 Ų | 204 | 152.1 Ų | 152.1 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | -179.7 | 70.8 | 113 | -96.2 | 171.3 | -178.1 | 178 | 0 | 114 | K1252 | K1250-K1252 VanDerWaalsContact C-N 3.3Å; K1250-K1252 PolarHBondContact O-N 2.66Å; K1250-K1252 VanDerWaalsContact O-N 3.16Å | |||
| 1251 | T | 24.4 | Very low | 26.7 | Very low | 151 Ų | 151 | 157.5 Ų | 157.5 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | -82.8 | 71.4 | 160.3 | 30.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1252 | K | 27.2 | Very low | 26.6 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -162.8 | 94.1 | 164.6 | -131.2 | 179.7 | -174.6 | -178 | 0 | 113.8 | K1250 | K1250-K1252 VanDerWaalsContact C-N 3.3Å; K1250-K1252 PolarHBondContact O-N 2.66Å; K1250-K1252 VanDerWaalsContact O-N 3.16Å | ||
| 1253 | M | 27.1 | Very low | 26.8 | Very low | 186 Ų | 186 | 159.2 Ų | 159.2 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -149.3 | 130.8 | 132.1 | -77.3 | -146.2 | 75.3 | 0 | 0 | 107.9 | ||||
| 1254 | M | 29.2 | Very low | 26.9 | Very low | 177 Ų | 177 | 155.1 Ų | 155.1 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -94.4 | 166.4 | 166.3 | -67.5 | 173.3 | 74 | 0 | 0 | 108.4 | ||||
| 1255 | A | 25.1 | Very low | 26.9 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -62 | 144.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1256 | T | 29.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 155.3 Ų | 155.3 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | -166.7 | 149.9 | 106.8 | 30.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1257 | T | 25.5 | Very low | 27 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -58.9 | 137.6 | 159.5 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1258 | T | 30.3 | Very low | 27.1 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | -177.2 | 150.9 | 101.2 | 35.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1259 | E | 24.3 | Very low | 27.3 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -40.4 | 158.9 | 177 | -69.8 | 167 | 146.3 | 0 | 0 | 121.8 | ||||
| 1260 | H | 29.7 | Very low | 27.4 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 68% | 0.676 | 79% | 0.79 | S | S | * | * | trans | 94.7 | 113.2 | 136 | -76.3 | -4.5 | 0 | 0 | 0 | 123 | ||||
| 1261 | Q | 26.6 | Very low | 27.3 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | 64.3 | 131.6 | 127 | -64.9 | -170 | -4.4 | 0 | 0 | 122.7 | |||||
| 1262 | S | 26.4 | Very low | 27.5 | Very low | 94 Ų | 94 | 145 Ų | 145 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | 87.2 | 113.7 | 144.1 | 74.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1263 | N | 28.6 | Very low | 27.5 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 71.1 | 144.1 | 134.8 | -56.3 | -3 | 0 | 0 | 0 | 120.2 | ||||
| 1264 | T | 28.3 | Very low | 27.6 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | cis | -164.3 | 151.9 | -24.6 | 24.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1265 | T | 27.6 | Very low | 27.7 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | 52.8 | 114.6 | 148.4 | 57.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1266 | Y | 28.3 | Very low | 28 | Very low | 225 Ų | 225 | 140 Ų | 140 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | 69.8 | 152 | 128.5 | -81.2 | -89.2 | 0 | 0 | 0 | 124 | |||||
| 1267 | S | 23.9 | Very low | 28.1 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | -77.4 | 168.1 | 175.7 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1268 | S | 28.5 | Very low | 28.3 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -176.7 | 156.1 | 47.6 | -155.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1269 | K | 28.9 | Very low | 28.4 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | trans | 62.8 | 127.9 | 151.7 | -79.2 | 169.8 | 179.3 | 172.9 | 0 | 123.1 | ||||
| 1270 | R | 27.3 | Very low | 28.7 | Very low | 251 Ų | 251 | 142.7 Ų | 142.7 | 95% | 0.947 | 74% | 0.743 | S | S | * | * | trans | 66.4 | 141.8 | 153.5 | -62.6 | 175.7 | 172.5 | 177 | -4 | 117 | ||||
| 1271 | G | 26.1 | Very low | 28.5 | Very low | 65 Ų | 65 | 140.7 Ų | 140.7 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | cis | 159.5 | 163.6 | -7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1272 | V | 28.5 | Very low | 28.6 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 93% | 0.927 | 74% | 0.742 | S | S | * | * | trans | 71.3 | 145.1 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1273 | S | 28.2 | Very low | 28.6 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | cis | -168.1 | 149 | -36 | -159.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1274 | E | 28.9 | Very low | 28.4 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | 56.1 | 153.8 | 155.6 | -71.7 | 173.2 | -160.2 | 0 | 0 | 122.3 | ||||
| 1275 | D | 30.8 | Very low | 28.3 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | cis | -170.8 | 171.4 | -30.6 | -164.4 | 16.4 | 0 | 0 | 0 | 111.7 | ||||
| 1276 | K | 32.8 | Very low | 28.1 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 75.6 | 147.1 | 164.3 | -67 | 137.7 | -171.1 | 157.5 | 0 | 116.8 | ||||
| 1277 | R | 30.3 | Very low | 27.9 | Very low | 228 Ų | 228 | 139.9 Ų | 139.9 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | cis | -126.5 | 129.8 | 15.3 | -53.6 | 165.7 | -173.5 | 155.6 | 3.1 | 109.2 | ||||
| 1278 | N | 29.7 | Very low | 27.9 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | 175.2 | 155.7 | 91.3 | -100.3 | -13.2 | 0 | 0 | 0 | 109 | |||||
| 1279 | I | 32.9 | Very low | 27.7 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | cis | -148.1 | -142.7 | -4.8 | -157.6 | 166.5 | 0 | 0 | 0 | 109.7 | ||||
| 1280 | S | 30.4 | Very low | 27.5 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | -70.2 | 141.5 | -178.4 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1281 | S | 26.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | 73 | 146.8 | 26.1 | 91.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1282 | C | 28.3 | Very low | 27.7 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 69% | 0.689 | 74% | 0.741 | S | S | * | * | cis | -145.7 | 145.1 | 20.6 | -74.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1283 | L | 27.1 | Very low | 27.7 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | 52.6 | 109.9 | 122.8 | -54.5 | 169 | 0 | 0 | 0 | 124.2 | |||||
| 1284 | S | 23.7 | Very low | 27.9 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | 45.9 | 138.5 | 114 | -55.1 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1285 | R | 25.3 | Very low | 27.9 | Very low | 226 Ų | 226 | 140.3 Ų | 140.3 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | 96.6 | 106.6 | 145.6 | -85.5 | -175.5 | 173.3 | 166.8 | -1 | 121.5 | ||||
| 1286 | N | 24.5 | Very low | 27.7 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | 75.7 | 126.8 | 127.5 | -69.1 | 22.9 | 0 | 0 | 0 | 123.1 | |||||
| 1287 | S | 23.2 | Very low | 27.7 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 84.6 | 129.8 | 132.8 | 59.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1288 | L | 23.8 | Very low | 27.3 | Very low | 148 Ų | 148 | 133 Ų | 133 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | trans | 82 | 128.2 | 150.7 | -71.5 | 162.7 | 0 | 0 | 0 | 120.4 | ||||
| 1289 | L | 25.5 | Very low | 27 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | 67.6 | 138.1 | 146.5 | -62 | 165.3 | 0 | 0 | 0 | 117.8 | ||||
| 1290 | E | 23.9 | Very low | 26.6 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | cis | -163.2 | -174.6 | -13.3 | -155.6 | 160.9 | -141.8 | 0 | 0 | 109.2 | ||||
| 1291 | N | 28.5 | Very low | 26.5 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | trans | 72.6 | 109 | 168.2 | -65.3 | -31.7 | 0 | 0 | 0 | 117 | ||||
| 1292 | S | 28.4 | Very low | 26.5 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | 83.3 | 131.7 | 68.6 | 80 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1293 | N | 29.3 | Very low | 26.4 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -144.1 | 175.6 | 6.6 | -77.3 | -52 | 0 | 0 | 0 | 108.4 | ||||
| 1294 | H | 31.9 | Very low | 26.3 | Very low | 151 Ų | 151 | 136 Ų | 136 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | cis | -146.8 | 150.3 | 24.6 | -87.8 | -79.4 | 0 | 0 | 0 | 114.5 | ||||
| 1295 | H | 29.9 | Very low | 26.4 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 78% | 0.782 | 72% | 0.723 | S | S | * | * | trans | 56.2 | 131.2 | 150.3 | -72.8 | -63.6 | 0 | 0 | 0 | 124.9 | ||||
| 1296 | S | 25.3 | Very low | 26.3 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -91.2 | 178.2 | -179.5 | 39.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1297 | P | 33.3 | Very low | 26.4 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | trans | -120.4 | -164.3 | -166.5 | 38.5 | -21.9 | 0 | 0 | 0 | 115.2 | ||||
| 1298 | L | 21.6 | Very low | 26.5 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | 80.4 | 144.6 | 177.2 | -57.4 | 120.6 | 0 | 0 | 0 | 114.7 | ||||
| 1299 | N | 24.9 | Very low | 26.5 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | cis | -156.4 | 162 | 30.8 | -146.7 | 4.8 | 0 | 0 | 0 | 116.2 | ||||
| 1300 | T | 24.6 | Very low | 26.6 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | trans | 60.6 | 118.9 | 150.3 | 44.1 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1301 | I | 26.6 | Very low | 27 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | 99.2 | 131.8 | 125 | -70.2 | 168.7 | 0 | 0 | 0 | 122.6 | |||||
| 1302 | N | 26.6 | Very low | 26.8 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | 81.8 | 101.8 | 158.8 | -80.4 | -18.2 | 0 | 0 | 0 | 123.8 | ||||
| 1303 | K | 26.9 | Very low | 26.5 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 74% | 0.735 | 71% | 0.706 | S | S | * | * | 71.4 | 112.1 | 122.9 | -72 | -168.7 | 173 | -169.4 | 0 | 123.3 | |||||
| 1304 | D | 24.8 | Very low | 26.6 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 68% | 0.679 | 71% | 0.705 | S | S | * | * | 80.5 | 114 | 124.8 | -54 | -21.5 | 0 | 0 | 0 | 122 | |||||
| 1305 | S | 25 | Very low | 26.3 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | 77.7 | 140.2 | 145.8 | -61.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1306 | L | 24.3 | Very low | 25.9 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | cis | -162 | 167.3 | -3.2 | -121.4 | 176.4 | 0 | 0 | 0 | 112.2 | ||||
| 1307 | Q | 25.8 | Very low | 25.8 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 44% | 0.439 | 72% | 0.715 | S | S | . | * | trans | 66.6 | 113.7 | 160.4 | -64.3 | 179.9 | 51 | 0 | 0 | 120.6 | V1309 | Q1307-V1309 HydrophobicContact CB-CG2 4.37Å; Q1307-V1309 HydrophobicContact CG-CG2 4.06Å | ||
| 1308 | H | 24.6 | Very low | 25.3 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | -106.6 | 131.1 | 119.5 | -99.6 | -77.9 | 0 | 0 | 0 | 108.6 | |||||
| 1309 | V | 25.5 | Very low | 25.4 | Very low | 67 Ų | 67 | 134 Ų | 134 | 41% | 0.406 | 73% | 0.726 | S | S | . | * | trans | -146.1 | 139.5 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 106.9 | T915 Q1307 | T915-V1309 HydrophobicContact CG2-CG1 4.3Å; Q1307-V1309 HydrophobicContact CB-CG2 4.37Å; Q1307-V1309 HydrophobicContact CG-CG2 4.06Å | ||
| 1310 | V | 26.9 | Very low | 25.5 | Very low | 120 Ų | 120 | 133 Ų | 133 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -179.6 | 143.5 | 150.5 | 136.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1311 | P | 31.8 | Very low | 25.5 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | -134.1 | -155.7 | -122.9 | 44.2 | -29.4 | 0 | 0 | 0 | 113.2 | |||||
| 1312 | L | 24.2 | Very low | 25.3 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | -153.4 | 159.8 | 126.6 | -105.3 | 169.4 | 0 | 0 | 0 | 111.2 | |||||
| 1313 | L | 23 | Very low | 25.3 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -143 | -178.2 | -171.6 | -106.9 | 173.2 | 0 | 0 | 0 | 109.7 | ||||
| 1314 | P | 30.5 | Very low | 25.2 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | -106.6 | -175.5 | -129.6 | 43.8 | -36 | 0 | 0 | 0 | 114.4 | |||||
| 1315 | V | 25.9 | Very low | 25.3 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 89% | 0.885 | 74% | 0.744 | S | S | * | * | trans | -133.8 | 141.5 | 164.6 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1316 | T | 22.4 | Very low | 25.4 | Very low | 109 Ų | 109 | 139 Ų | 139 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | trans | -125.4 | 137.1 | -179.5 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1317 | Y | 23.2 | Very low | 25.6 | Very low | 224 Ų | 224 | 135.7 Ų | 135.7 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | 51.7 | 137.1 | 161.2 | -66 | -69.5 | 0 | 0 | 0 | 121.4 | ||||
| 1318 | S | 22.4 | Very low | 25.7 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | -166.6 | 141.8 | 123.6 | -81.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1319 | L | 23.2 | Very low | 25.9 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | trans | -72.4 | 159.7 | 155.7 | -76.1 | 155.4 | 0 | 0 | 0 | 109 | ||||
| 1320 | P | 27.7 | Very low | 26.1 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | -152.1 | 142.2 | 108.9 | 35.9 | -18.1 | 0 | 0 | 0 | 117.3 | |||||
| 1321 | I | 24.1 | Very low | 26.3 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | 48.6 | 123.5 | 124.9 | -54.3 | 171.1 | 0 | 0 | 0 | 119.5 | |||||
| 1322 | N | 22.3 | Very low | 26.1 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -59.1 | 146.5 | 165 | -96.5 | -8.8 | 0 | 0 | 0 | 113.6 | ||||
| 1323 | N | 26.9 | Very low | 26.4 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -154.3 | 120.5 | 144.7 | -119.3 | -26 | 0 | 0 | 0 | 112.6 | ||||
| 1324 | D | 24.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 148 Ų | 148 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -79.5 | 138.4 | 169.4 | -83.9 | -65.6 | 0 | 0 | 0 | 110.8 | ||||
| 1325 | N | 26.8 | Very low | 26.7 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | 168.1 | 134.5 | 107.9 | -93.7 | -76.4 | 0 | 0 | 0 | 114 | |||||
| 1326 | K | 27.2 | Very low | 26.9 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | 32.1 | 143.4 | 126.2 | -64.9 | -176.5 | -166.5 | 107.5 | 0 | 120.7 | |||||
| 1327 | A | 29.1 | Very low | 27.4 | Very low | 73 Ų | 73 | 148.2 Ų | 148.2 | 60% | 0.603 | 77% | 0.765 | S | S | * | * | cis | -178.7 | 176.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1328 | N | 28.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | 77.7 | 150.6 | 152.6 | -63.8 | -41.1 | 0 | 0 | 0 | 119.8 | ||||
| 1329 | S | 27.5 | Very low | 28.1 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | 175.1 | 165.7 | -23.9 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1330 | K | 31.4 | Very low | 28.3 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | trans | 89.6 | 145.7 | 164.1 | -53.2 | 167.7 | -176.2 | 170.5 | 0 | 117.4 | ||||
| 1331 | R | 29.5 | Very low | 28.6 | Very low | 209 Ų | 209 | 135.9 Ų | 135.9 | 79% | 0.789 | 75% | 0.753 | S | S | * | * | cis | -168.2 | 138.5 | -14 | -113.8 | -179 | 161.8 | -155.6 | -3.7 | 114.4 | ||||
| 1332 | L | 28 | Very low | 28.9 | Very low | 119 Ų | 119 | 135 Ų | 135 | 62% | 0.623 | 75% | 0.75 | S | S | * | * | trans | 75.4 | 159.6 | 130.5 | -81.4 | 172.5 | 0 | 0 | 0 | 126.5 | ||||
| 1333 | H | 31.2 | Very low | 29.4 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | 81.8 | 134.3 | 172 | -54.7 | -75.4 | 0 | 0 | 0 | 115.4 | ||||
| 1334 | R | 29.3 | Very low | 29.6 | Very low | 225 Ų | 225 | 134.2 Ų | 134.2 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | cis | -165.9 | 162.7 | -3 | -121.7 | -173.6 | 159.8 | 166.3 | -5.1 | 106.5 | ||||
| 1335 | S | 30.7 | Very low | 29.8 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -166.6 | 179.5 | -31.1 | 49.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1336 | S | 30 | Very low | 30 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | cis | -146 | -144.1 | 24.4 | -60.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1337 | I | 32.9 | Very low | 30.1 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | cis | -145.3 | -114.6 | -0.2 | -166.9 | 165.4 | 0 | 0 | 0 | 111.8 | ||||
| 1338 | S | 30.8 | Very low | 30.2 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | -111.8 | 148 | -172.4 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1339 | G | 29.2 | Very low | 30.1 | Very low | 82 Ų | 82 | 141.4 Ų | 141.4 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | cis | 97.1 | 133.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1340 | G | 26.6 | Very low | 30.1 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | cis | 161.9 | 130.1 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1341 | S | 33.7 | Very low | 30 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -174.5 | 155.6 | 180 | -79.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1342 | N | 31.9 | Very low | 29.9 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | cis | -162.9 | 169.8 | -11.8 | -101.9 | -18.9 | 0 | 0 | 0 | 111.3 | ||||
| 1343 | H | 32.4 | Very low | 29.9 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | 67.8 | 119.3 | 176.3 | -70.7 | -88.4 | 0 | 0 | 0 | 117 | ||||
| 1344 | L | 29.9 | Very low | 29.8 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 71% | 0.707 | 75% | 0.751 | S | S | * | * | 68.6 | 130.1 | 60.1 | -60.8 | 168.1 | 0 | 0 | 0 | 111.8 | |||||
| 1345 | N | 29.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | cis | -164.8 | 155.2 | 22 | -121.4 | -18.4 | 0 | 0 | 0 | 113 | ||||
| 1346 | L | 30.7 | Very low | 29.7 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | 51.8 | 146.6 | 143.4 | -53.9 | 166.8 | 0 | 0 | 0 | 120.6 | ||||
| 1347 | R | 28.7 | Very low | 29.4 | Very low | 197 Ų | 197 | 144 Ų | 144 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -167.9 | 148.3 | -3.9 | -126.8 | -179.7 | 160.2 | 175 | -1.5 | 111.8 | ||||
| 1348 | H | 30.6 | Very low | 29 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | trans | 55 | 138.2 | 159.2 | -60.1 | -58 | 0 | 0 | 0 | 119.6 | ||||
| 1349 | R | 28.5 | Very low | 28.8 | Very low | 229 Ų | 229 | 144.3 Ų | 144.3 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | cis | 67.5 | 140.2 | 48.5 | -80.3 | -161.9 | 177.5 | -173.1 | -1.3 | 114.3 | ||||
| 1350 | S | 27.4 | Very low | 28.6 | Very low | 85 Ų | 85 | 146.8 Ų | 146.8 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | cis | -178.3 | 154.9 | -13.8 | 45.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1351 | H | 28.5 | Very low | 28.5 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | trans | 21.8 | 151.1 | 145 | -66.8 | -98.2 | 0 | 0 | 0 | 122.8 | ||||
| 1352 | S | 27.9 | Very low | 28.4 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | cis | 176.6 | 139.7 | -23.4 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1353 | R | 28.2 | Very low | 28.2 | Very low | 246 Ų | 246 | 152.2 Ų | 152.2 | 93% | 0.928 | 75% | 0.746 | S | S | * | * | trans | 59 | 136.4 | 160.3 | -70 | -178 | 171.6 | 177.2 | -3.6 | 121 | ||||
| 1354 | V | 28.4 | Very low | 28.2 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | -166.6 | 164.1 | 128 | 144.9 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1355 | N | 27.5 | Very low | 28.1 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -101.7 | 175.8 | -166.4 | -73.4 | -18.8 | 0 | 0 | 0 | 115.3 | ||||
| 1356 | Q | 29.8 | Very low | 28.1 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | 75 | 147.1 | 156.6 | -75.9 | 168.4 | -7.4 | 0 | 0 | 118.8 | ||||
| 1357 | F | 24.5 | Very low | 27.8 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | cis | -168.4 | 143.1 | -27.5 | -142.7 | -115.9 | 0 | 0 | 0 | 108.5 | ||||
| 1358 | L | 24.8 | Very low | 28.5 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | trans | 58.7 | 143.1 | 171.7 | -66.5 | 167.6 | 0 | 0 | 0 | 116.7 | ||||
| 1359 | N | 26.6 | Very low | 28.2 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | cis | -159.4 | 172.1 | 44.1 | -123.1 | -18.7 | 0 | 0 | 0 | 114.6 | ||||
| 1360 | L | 24.5 | Very low | 28.2 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | trans | -32.9 | 160.8 | 166.5 | -79.6 | 70.3 | 0 | 0 | 0 | 117.4 | ||||
| 1361 | T | 25.2 | Very low | 28.3 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | cis | -166.2 | 173.2 | 11.5 | 4.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1362 | S | 30.2 | Very low | 28.1 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 80.8 | 149.7 | 153.7 | 87 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1363 | R | 29.3 | Very low | 28.1 | Very low | 213 Ų | 213 | 147.2 Ų | 147.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -164.5 | 141 | -1.7 | -129 | 172.9 | -171.2 | -151.8 | 6.4 | 109.9 | ||||
| 1364 | I | 30.6 | Very low | 28 | Very low | 151 Ų | 151 | 141 Ų | 141 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | 62.4 | 141.1 | 152.8 | -58.4 | 155.4 | 0 | 0 | 0 | 117.1 | ||||
| 1365 | G | 28.8 | Very low | 28.1 | Very low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | 159.4 | -178.8 | -5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1366 | L | 30.3 | Very low | 28.3 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 73.6 | 97 | 168.3 | -56.4 | 176.2 | 0 | 0 | 0 | 119.9 | ||||
| 1367 | S | 24.5 | Very low | 28.4 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 20.1 | 156.1 | 116.9 | -45.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1368 | P | 42.1 | Very low | 28.7 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -116.8 | -159 | -156.3 | 36.2 | -18 | 0 | 0 | 0 | 114.9 | ||||
| 1369 | V | 25.3 | Very low | 29 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 129.6 | 140.7 | 146 | 173 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1370 | L | 28.3 | Very low | 29.1 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | 88.3 | 129.5 | 156.3 | -85.8 | 164 | 0 | 0 | 0 | 124.9 | ||||
| 1371 | K | 28.7 | Very low | 29.4 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | 67 | 131.2 | 151 | -76.2 | 159 | -177.4 | 161.3 | 0 | 119.4 | ||||
| 1372 | R | 24.7 | Very low | 29.7 | Very low | 238 Ų | 238 | 139 Ų | 139 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | 68.5 | 137.7 | 70.5 | -107.5 | -173.3 | -175.4 | 172.5 | 2.4 | 112.8 | |||||
| 1373 | A | 28.4 | Very low | 29.7 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | -153.2 | -175.7 | 10.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1374 | S | 26.6 | Very low | 29.8 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -99.5 | 159.7 | -170 | -36.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1375 | L | 30 | Very low | 29.9 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -138.9 | 149.4 | 156.1 | -66 | 173.5 | 0 | 0 | 0 | 107.2 | ||||
| 1376 | H | 32 | Very low | 30 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | cis | -148.6 | -173.3 | 6.1 | -129.2 | -35.6 | 0 | 0 | 0 | 112.5 | ||||
| 1377 | H | 31.8 | Very low | 30 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | trans | -77.8 | 173.5 | -176.4 | -55.8 | -61.5 | 0 | 0 | 0 | 114 | ||||
| 1378 | G | 29.5 | Very low | 30.1 | Very low | 68 Ų | 68 | 133.1 Ų | 133.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | 141.9 | 170.6 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1379 | S | 31.1 | Very low | 29.5 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 74.5 | 119.2 | 173 | -67.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1380 | R | 29.6 | Very low | 29.5 | Very low | 228 Ų | 228 | 134.7 Ų | 134.7 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | 79.1 | 140.7 | 78.5 | -74.7 | -177.5 | 173.5 | -171.8 | -1.7 | 113.2 | |||||
| 1381 | T | 31.3 | Very low | 29.3 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -163.3 | 155.2 | 10.2 | 9.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1382 | S | 29.9 | Very low | 29.1 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 46.8 | 134.2 | 152.4 | 59.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1383 | S | 31 | Very low | 29.2 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | cis | -161.4 | -179.9 | -1.1 | 64.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1384 | S | 31.8 | Very low | 29.2 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | cis | -137.4 | -145.9 | 8.6 | 62.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1385 | S | 31.6 | Very low | 29.3 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | cis | -145 | -134.6 | 14 | 66 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1386 | S | 31.8 | Very low | 29.1 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -68.1 | 147 | 176.1 | 48.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1387 | S | 31.1 | Very low | 28.9 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | cis | -159.1 | 161.6 | -9.3 | -82.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1388 | N | 26.1 | Very low | 28.7 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -128 | 152.5 | -160.2 | -143.4 | 3 | 0 | 0 | 0 | 114.8 | ||||
| 1389 | Q | 29.2 | Very low | 28.6 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 115.7 | 151.7 | -75.4 | 168.7 | 8.4 | 0 | 0 | 122.5 | ||||
| 1390 | N | 24.8 | Very low | 28.6 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | 52.6 | 145.5 | 111.7 | -55.7 | -3.3 | 0 | 0 | 0 | 124 | |||||
| 1391 | Y | 24.5 | Very low | 28.6 | Very low | 204 Ų | 204 | 134.2 Ų | 134.2 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | 95.9 | 125.5 | 142.3 | -82.3 | -56.9 | 0 | 0 | 0 | 122.6 | ||||
| 1392 | T | 25.3 | Very low | 28.5 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | trans | 78.5 | 131.4 | 146.8 | 54.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 1393 | N | 25.5 | Very low | 28.5 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 85.6 | 134.3 | 139.3 | -69.1 | -5.4 | 0 | 0 | 0 | 123.6 | ||||
| 1394 | N | 29.5 | Very low | 28.5 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 74.6 | 103.7 | 142.6 | -63.9 | -13.1 | 0 | 0 | 0 | 122.8 | ||||
| 1395 | K | 27.1 | Very low | 28.5 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 17.3 | 148.4 | 132.6 | -75.7 | -178.9 | 174.3 | 176.6 | 0 | 121.9 | ||||
| 1396 | S | 27.5 | Very low | 28.5 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | 72.4 | 144.4 | 162.9 | 64.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1397 | K | 27.3 | Very low | 28.5 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | cis | 137.8 | 152.5 | -10.3 | -106.9 | -159.8 | 171.6 | -173.4 | 0 | 107.7 | ||||
| 1398 | F | 26.5 | Very low | 28.4 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | 74.3 | 139.9 | 175.3 | -57.3 | -61.1 | 0 | 0 | 0 | 114.5 | ||||
| 1399 | L | 28.8 | Very low | 28.6 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | cis | -150.6 | 178 | -12.1 | -86.3 | 153.4 | 0 | 0 | 0 | 105.1 | ||||
| 1400 | N | 29.6 | Very low | 28.6 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | cis | -163.6 | 176.7 | 4 | -126.8 | 6.2 | 0 | 0 | 0 | 106.6 | ||||
| 1401 | S | 30.4 | Very low | 28.8 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | cis | -174 | 147.3 | -18 | 37.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1402 | G | 29.4 | Very low | 29.1 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 89.5 | 156.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1403 | S | 30.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | cis | -162.7 | 169 | -8.8 | -66 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1404 | D | 31.1 | Very low | 29.1 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 67.7 | 145.3 | 154.9 | -45.3 | -34.7 | 0 | 0 | 0 | 117.3 | ||||
| 1405 | E | 32.1 | Very low | 29.1 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | cis | -160.8 | 177.5 | -3.9 | -102.5 | 160.1 | 164.2 | 0 | 0 | 105.2 | ||||
| 1406 | E | 30.1 | Very low | 29.1 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | cis | -165.9 | 168.3 | 2.7 | -116.6 | -168.9 | 160.4 | 0 | 0 | 105.2 | ||||
| 1407 | D | 31.2 | Very low | 29.2 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | cis | -161.9 | 161.8 | -16.7 | -162.7 | 21.3 | 0 | 0 | 0 | 113.1 | ||||
| 1408 | Q | 30.1 | Very low | 29.1 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 65% | 0.645 | 72% | 0.716 | S | S | * | * | trans | 22.9 | 144.3 | 152.4 | -84.9 | 169.3 | 82.7 | 0 | 0 | 130.6 | ||||
| 1409 | N | 30.8 | Very low | 29.2 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | trans | 84.6 | 102.9 | 134.4 | -62.1 | -14.4 | 0 | 0 | 0 | 125.5 | ||||
| 1410 | D | 28.8 | Very low | 29.2 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | 71.5 | 115.3 | 116.2 | -76.2 | 0.7 | 0 | 0 | 0 | 127.2 | |||||
| 1411 | V | 29.4 | Very low | 29.2 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | 92.9 | 134.3 | 119.4 | 171.7 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1412 | H | 30.8 | Very low | 29 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | trans | 71.8 | 93.6 | 159.3 | -77.8 | -40.1 | 0 | 0 | 0 | 124.5 | ||||
| 1413 | H | 26.7 | Very low | 29 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | 63.7 | 136.8 | 109.6 | -108 | -40.4 | 0 | 0 | 0 | 125.3 | |||||
| 1414 | F | 24.7 | Very low | 28.9 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | 98.1 | 108.8 | 140.3 | -100.9 | -79.4 | 0 | 0 | 0 | 122.8 | ||||
| 1415 | I | 27.8 | Very low | 28.7 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 82% | 0.821 | 73% | 0.729 | S | S | * | * | trans | 60.2 | 137.8 | 152.1 | -76.3 | 174.5 | 0 | 0 | 0 | 119.2 | ||||
| 1416 | G | 28.7 | Very low | 28.5 | Very low | 62 Ų | 62 | 135.1 Ų | 135.1 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | cis | 171.4 | -174.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1417 | N | 28.3 | Very low | 28.4 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | 11.3 | 145.2 | 163.2 | -70.2 | 36.8 | 0 | 0 | 0 | 120.8 | ||||
| 1418 | E | 26 | Very low | 28.2 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | cis | -170.5 | 168.6 | 19.1 | -137.4 | 168.8 | -104.5 | 0 | 0 | 113.2 | ||||
| 1419 | N | 28.4 | Very low | 27.9 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | trans | 65.2 | 152.8 | 158.1 | -61.6 | -41 | 0 | 0 | 0 | 117.2 | ||||
| 1420 | S | 28.5 | Very low | 27.7 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | cis | -174.5 | 168.7 | -8.9 | 46.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1421 | N | 29 | Very low | 27.5 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | cis | -171.6 | 164.5 | -18.6 | -91.8 | 1.1 | 0 | 0 | 0 | 105.6 | ||||
| 1422 | N | 27 | Very low | 27.2 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -170.7 | 132.8 | -21.4 | -96.1 | -7.5 | 0 | 0 | 0 | 107.8 | ||||
| 1423 | S | 28.3 | Very low | 27 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -167.6 | 88.7 | 160.1 | 48.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1424 | T | 29.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 136 Ų | 136 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | -135.1 | 143.1 | 143 | 26.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1425 | N | 26.9 | Very low | 27.7 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -86.9 | 117.6 | -174 | -68.5 | -33.4 | 0 | 0 | 0 | 111.3 | ||||
| 1426 | D | 28.6 | Very low | 28.8 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -123.1 | 142.1 | 156.6 | -86.1 | -54.9 | 0 | 0 | 0 | 109.1 | P1428 | D1426-P1428 WeakPolarHBondContact O-CD 3.4Š| ||
| 1427 | N | 26.5 | Very low | 30.6 | Very low | 164 Ų | 164 | 128.5 Ų | 128.5 | 88% | 0.877 | 71% | 0.707 | S | S | * | * | trans | -111.4 | 97.4 | -179.2 | -88.6 | -36.5 | 0 | 0 | 0 | 110.6 | F1429 | N1427-F1429 PolarHBondContact O-N 2.87Š| ||
| 1428 | P | 27.7 | Very low | 32.8 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 69% | 0.694 | S | S | * | * | trans | -98 | 62.9 | -179.1 | 38.2 | -35 | 0 | 0 | 0 | 112.2 | D1426 | D1426-P1428 WeakPolarHBondContact O-CD 3.4Š| ||
| 1429 | F | 24.1 | Very low | 34.9 | Very low | 192 Ų | 192 | 122.6 Ų | 122.6 | 84% | 0.842 | 68% | 0.682 | S | S | * | * | trans | -143.1 | 75.3 | 175.3 | -94.1 | -76.4 | 0 | 0 | 0 | 112.6 | N1427 | N1427-F1429 PolarHBondContact O-N 2.87Š| ||
| 1430 | Y | 25.8 | Very low | 37.2 | Very low | 233 Ų | 233 | 122.4 Ų | 122.4 | 91% | 0.914 | 68% | 0.675 | S | S | * | * | trans | -171.5 | 97.8 | 143 | -104.7 | -66.8 | 0 | 0 | 0 | 109.2 | ||||
| 1431 | S | 24.2 | Very low | 39.7 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | trans | -144.3 | 102.5 | 170 | 46.4 | 0 | 0 | 0 | 0 | 109.3 | P1433 | S1431-P1433 WeakPolarHBondContact O-CD 3.5Š| ||
| 1432 | D | 23.7 | Very low | 42 | Very low | 136 Ų | 136 | 118.1 Ų | 118.1 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | trans | -62.9 | 125.6 | 175 | -81.6 | -40 | 0 | 0 | 0 | 110.1 | T1434 | D1432-T1434 PolarHBondContact O-N 2.98Š| ||
| 1433 | P | 27.3 | Very low | 44.5 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 67% | 0.669 | 60% | 0.604 | S | S | * | * | trans | -80.1 | 64.1 | 175.8 | 34.1 | -35.4 | 0 | 0 | 0 | 111 | P1237 S1431 T1435 | P1237-P1433 WeakPolarHBondContact CB-O 3.3Å; S1431-P1433 WeakPolarHBondContact O-CD 3.5Å; P1433-T1435 PolarHBondContact O-N 3.36Å | ||
| 1434 | T | 27.8 | Very low | 47.2 | Very low | 83 Ų | 83 | 106.7 Ų | 106.7 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | trans | -85.7 | 102.5 | 166.7 | 55.1 | 0 | 0 | 0 | 0 | 109.8 | D1432 D1436 | D1432-T1434 PolarHBondContact O-N 2.98Å; T1434-D1436 PolarHBondContact O-N 3.02Å | ||
| 1435 | T | 36.8 | Very low | 49.6 | Very low | 97 Ų | 97 | 100.4 Ų | 100.4 | 60% | 0.595 | 53% | 0.529 | S | S | * | . | trans | -75.4 | 67.5 | 177.7 | 38.6 | 0 | 0 | 0 | 0 | 112.2 | P1433 I1437 | P1433-T1435 PolarHBondContact O-N 3.36Å; T1435-I1437 PolarHBondContact O-N 3.31Å | ||
| 1436 | D | 51.2 | Low | 52 | Low | 83 Ų | 83 | 93.9 Ų | 93.9 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 121.7 | 168.3 | -87.5 | -31.3 | 0 | 0 | 0 | 110 | K1232 T1434 T1438 | K1232-D1436 IonicContact NZ-OD1 2.63Å; K1232-D1436 PolarHBondContact NZ-OD1 2.83Å; K1232-D1436 IonicContact NZ-OD2 3.2Å; K1232-D1436 PolarHBondContact NZ-OD2 2.76Å; T1434-D1436 PolarHBondContact O-N 3.02Å; D1436-T1438 PolarHBondContact O-N 3.49Å |
| 1437 | I | 67.1 | Low | 54.6 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 134.8 | 177.3 | -61.1 | -170.9 | 0 | 0 | 0 | 110.3 | L1215 M1233 I1235 T1435 T1441 | L1215-I1437 HydrophobicContact CD1-CD1 4.27Å; L1215-I1437 HydrophobicContact CD2-CD1 3.57Å; M1233-I1437 HydrophobicContact CE-CB 3.76Å; M1233-I1437 HydrophobicContact CE-CD1 3.69Å; M1233-I1437 HydrophobicContact CE-CG1 3.72Å; I1235-I1437 HydrophobicContact CD1-CD1 4.32Å; T1435-I1437 PolarHBondContact O-N 3.31Å; I1437-T1441 HydrophobicContact CG2-CG2 3.72Å |
| 1438 | T | 74.5 | Confident | 57.4 | Low | 81 Ų | 81 | 79.1 Ų | 79.1 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 147.5 | -177.7 | 89 | 0 | 0 | 0 | 0 | 112 | D1436 K1440 T1441 R1442 | D1436-T1438 PolarHBondContact O-N 3.49Å; T1438-K1440 PolarHBondContact O-N 2.93Å; T1438-K1440 PolarHBondContact OG1-N 3.26Å; T1438-T1441 PolarHBondContact O-N 3.43Å; T1438-T1441 VanDerWaalsContact O-N 3.12Å; T1438-T1441 PolarHBondContact OG1-N 3Å; T1438-T1441 VanDerWaalsContact OG1-N 3.1Å; T1438-T1441 PolarHBondContact OG1-OG1 3.48Å; T1438-R1442 PolarHBondContact O-N 2.89Å |
| 1439 | I | 69.8 | Low | 59.7 | Low | 75 Ų | 75 | 74.2 Ų | 74.2 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56 | -36.4 | 177.6 | -65.5 | 172.8 | 0 | 0 | 0 | 111.3 | L423 N1443 | L423-I1439 HydrophobicContact CD2-CD1 4.15Å; I1439-N1443 VanDerWaalsContact O-CB 3.3Å; I1439-N1443 WeakPolarHBondContact O-CB 3.37Å; I1439-N1443 PolarHBondContact O-N 2.9Å; I1439-N1443 PolarHBondContact O-OD1 2.91Å |
| 1440 | K | 76.1 | Confident | 62.2 | Low | 126 Ų | 126 | 65.5 Ų | 65.5 | 55% | 0.548 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -53.5 | 175 | -72.4 | -173.2 | 173.4 | -169.1 | 0 | 111.6 | M422 T1438 R1442 N1443 L1444 | M422-K1440 HydrophobicContact CE-CG 3.85Å; M422-K1440 HydrophobicContact SD-CD 4.19Å; M422-K1440 VanDerWaalsContact SD-CE 3.51Å; M422-K1440 HydrophobicContact SD-CG 3.63Å; T1438-K1440 PolarHBondContact O-N 2.93Å; T1438-K1440 PolarHBondContact OG1-N 3.26Å; K1440-R1442 VanDerWaalsContact C-N 3.3Å; K1440-R1442 PolarHBondContact O-N 3.23Å; K1440-N1443 PolarHBondContact O-N 3.37Å; K1440-L1444 WeakPolarHBondContact O-CB 3.44Å; K1440-L1444 PolarHBondContact O-N 3.5Å |
| 1441 | T | 81 | Confident | 65.1 | Low | 31 Ų | 31 | 54.6 Ų | 54.6 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 179.1 | -47.7 | 0 | 0 | 0 | 0 | 111.5 | V1209 L1215 I1437 T1438 L1444 V1445 | V1209-T1441 HydrophobicContact CG1-CG2 3.7Å; V1209-T1441 HydrophobicContact CG2-CG2 3.99Å; L1215-T1441 HydrophobicContact CD1-CG2 4.29Å; I1437-T1441 HydrophobicContact CG2-CG2 3.72Å; T1438-T1441 PolarHBondContact O-N 3.43Å; T1438-T1441 VanDerWaalsContact O-N 3.12Å; T1438-T1441 PolarHBondContact OG1-N 3Å; T1438-T1441 VanDerWaalsContact OG1-N 3.1Å; T1438-T1441 PolarHBondContact OG1-OG1 3.48Å; T1441-L1444 PolarHBondContact O-N 3.26Å; T1441-V1445 WeakPolarHBondContact O-CG2 3.28Å; T1441-V1445 PolarHBondContact O-N 2.89Å |
| 1442 | R | 77.7 | Confident | 67.7 | Low | 101 Ų | 101 | 50.8 Ų | 50.8 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 176.3 | -173.7 | -162.7 | 66.8 | 178.6 | -1.1 | 112.1 | T1438 K1440 L1444 V1445 F1446 | T1438-R1442 PolarHBondContact O-N 2.89Å; K1440-R1442 VanDerWaalsContact C-N 3.3Å; K1440-R1442 PolarHBondContact O-N 3.23Å; R1442-L1444 VanDerWaalsContact C-N 3.34Å; R1442-V1445 PolarHBondContact O-N 3.24Å; R1442-F1446 HydrophobicContact CG-CD2 3.92Å; R1442-F1446 HydrophobicContact CG-CE2 3.64Å; R1442-F1446 VanDerWaalsContact O-CD2 3.32Å; R1442-F1446 WeakPolarHBondContact O-CD2 3.37Å; R1442-F1446 PolarHBondContact O-N 3.18Å |
| 1443 | N | 80.3 | Confident | 70.2 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 178 | -74 | 13.7 | 0 | 0 | 0 | 111.3 | N1149 I1439 K1440 F1446 A1447 | N1149-N1443 WeakPolarHBondContact O-CB 3.24Å; N1149-N1443 PolarHBondContact O-ND2 3.11Å; N1149-N1443 VanDerWaalsContact O-ND2 3.1Å; I1439-N1443 VanDerWaalsContact O-CB 3.3Å; I1439-N1443 WeakPolarHBondContact O-CB 3.37Å; I1439-N1443 PolarHBondContact O-N 2.9Å; I1439-N1443 PolarHBondContact O-OD1 2.91Å; K1440-N1443 PolarHBondContact O-N 3.37Å; N1443-F1446 PolarHBondContact O-N 3.05Å; N1443-A1447 VanDerWaalsContact O-CB 3.31Å; N1443-A1447 WeakPolarHBondContact O-CB 3.12Å; N1443-A1447 PolarHBondContact O-N 3.48Å |
| 1444 | L | 84.1 | Confident | 72.8 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 174.9 | 173.8 | 69.4 | 0 | 0 | 0 | 112.7 | H1147 I1202 A1205 V1209 W1212 K1440 T1441 R1442 F1446 A1447 S1448 | H1147-L1444 HydrophobicContact CB-CD1 3.79Å; I1202-L1444 HydrophobicContact CG1-CD1 4.36Å; A1205-L1444 HydrophobicContact CB-CD1 3.68Å; A1205-L1444 HydrophobicContact CB-CD2 3.58Å; A1205-L1444 HydrophobicContact CB-CG 4.29Å; V1209-L1444 HydrophobicContact CG2-CD2 4Å; W1212-L1444 HydrophobicContact CH2-CD2 4.43Å; W1212-L1444 HydrophobicContact CH2-CG 3.97Å; W1212-L1444 HydrophobicContact CZ3-CD2 3.89Å; W1212-L1444 HydrophobicContact CZ3-CG 3.82Å; K1440-L1444 WeakPolarHBondContact O-CB 3.44Å; K1440-L1444 PolarHBondContact O-N 3.5Å; T1441-L1444 PolarHBondContact O-N 3.26Å; R1442-L1444 VanDerWaalsContact C-N 3.34Å; L1444-F1446 VanDerWaalsContact C-N 3.31Å; L1444-F1446 PolarHBondContact O-N 3.47Å; L1444-A1447 WeakPolarHBondContact O-CB 3.05Å; L1444-A1447 PolarHBondContact O-N 3.19Å; L1444-A1447 VanDerWaalsContact O-N 3.16Å; L1444-S1448 PolarHBondContact O-N 3.17Å |
| 1445 | V | 79.7 | Confident | 75.3 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.9 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | W1212 L1215 V1216 A1219 T1441 R1442 S1448 I1449 | W1212-V1445 HydrophobicContact CE3-CG2 3.91Å; W1212-V1445 HydrophobicContact CH2-CG2 4.22Å; W1212-V1445 HydrophobicContact CZ3-CB 4.36Å; W1212-V1445 HydrophobicContact CZ3-CG2 3.47Å; W1212-V1445 VanDerWaalsContact CZ3-CG2 3.47Å; L1215-V1445 HydrophobicContact CB-CG2 4.04Å; V1216-V1445 HydrophobicContact CG2-CG1 4.21Å; A1219-V1445 HydrophobicContact CB-CG1 3.42Å; A1219-V1445 VanDerWaalsContact CB-CG1 3.42Å; T1441-V1445 WeakPolarHBondContact O-CG2 3.28Å; T1441-V1445 PolarHBondContact O-N 2.89Å; R1442-V1445 PolarHBondContact O-N 3.24Å; V1445-S1448 PolarHBondContact O-OG 3.48Å; V1445-I1449 WeakPolarHBondContact O-CG1 3.41Å; V1445-I1449 PolarHBondContact O-N 3.1Å |
| 1446 | F | 78.7 | Confident | 76.9 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.5 | -32.3 | 173.2 | -75.4 | -43 | 0 | 0 | 0 | 112.9 | F1151 A1219 Y1222 L1223 R1442 N1443 L1444 I1449 I1450 | F1151-F1446 HydrophobicContact CB-CB 4.28Å; F1151-F1446 HydrophobicContact CB-CD2 4.21Å; F1151-F1446 HydrophobicContact CB-CG 4.39Å; F1151-F1446 HydrophobicContact CD2-CB 3.97Å; F1151-F1446 HydrophobicContact CD2-CD1 4.19Å; F1151-F1446 HydrophobicContact CD2-CG 4.01Å; F1151-F1446 HydrophobicContact CG-CG 4.49Å; A1219-F1446 HydrophobicContact CB-CD1 4.39Å; A1219-F1446 HydrophobicContact CB-CE1 4.09Å; Y1222-F1446 HydrophobicContact CD1-CE1 4.41Å; Y1222-F1446 HydrophobicContact CD1-CZ 4.15Å; Y1222-F1446 HydrophobicContact CE1-CZ 4.35Å; L1223-F1446 HydrophobicContact CD1-CD1 4.02Å; L1223-F1446 HydrophobicContact CD1-CE1 4.05Å; L1223-F1446 HydrophobicContact CD2-CE1 4.04Å; L1223-F1446 HydrophobicContact CG-CD1 4.44Å; L1223-F1446 HydrophobicContact CG-CE1 3.97Å; R1442-F1446 HydrophobicContact CG-CD2 3.92Å; R1442-F1446 HydrophobicContact CG-CE2 3.64Å; R1442-F1446 VanDerWaalsContact O-CD2 3.32Å; R1442-F1446 WeakPolarHBondContact O-CD2 3.37Å; R1442-F1446 PolarHBondContact O-N 3.18Å; N1443-F1446 PolarHBondContact O-N 3.05Å; L1444-F1446 VanDerWaalsContact C-N 3.31Å; L1444-F1446 PolarHBondContact O-N 3.47Å; F1446-I1449 PolarHBondContact O-N 3.4Å; F1446-I1450 WeakPolarHBondContact O-CG1 3.48Å; F1446-I1450 PolarHBondContact O-N 3.17Å |
| 1447 | A | 83.3 | Confident | 78 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67 | -38.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1146 N1443 L1444 I1450 F1451 | M1146-A1447 HydrophobicContact CG-CB 4.27Å; M1146-A1447 WeakPolarHBondContact O-CB 3.34Å; N1443-A1447 VanDerWaalsContact O-CB 3.31Å; N1443-A1447 WeakPolarHBondContact O-CB 3.12Å; N1443-A1447 PolarHBondContact O-N 3.48Å; L1444-A1447 WeakPolarHBondContact O-CB 3.05Å; L1444-A1447 PolarHBondContact O-N 3.19Å; L1444-A1447 VanDerWaalsContact O-N 3.16Å; A1447-I1450 PolarHBondContact O-N 3.24Å; A1447-F1451 WeakPolarHBondContact O-CB 3.3Å; A1447-F1451 PolarHBondContact O-N 3.48Å |
| 1448 | S | 84.5 | Confident | 78.5 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.1 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | W1212 L1444 V1445 F1451 D1452 | W1212-S1448 WeakPolarHBondContact CH2-OG 3.39Å; W1212-S1448 WeakPolarHBondContact CZ2-OG 3.46Å; L1444-S1448 PolarHBondContact O-N 3.17Å; V1445-S1448 PolarHBondContact O-OG 3.48Å; S1448-F1451 PolarHBondContact O-N 3.05Å; S1448-D1452 VanDerWaalsContact O-CG 3.22Å; S1448-D1452 PolarHBondContact O-N 3.2Å |
| 1449 | I | 76.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 176.1 | -62.4 | 166.8 | 0 | 0 | 0 | 110.8 | V1216 A1219 R1220 L1223 V1445 F1446 F1451 D1452 E1453 | V1216-I1449 HydrophobicContact CG1-CG1 4.18Å; A1219-I1449 HydrophobicContact CB-CD1 3.61Å; R1220-I1449 HydrophobicContact CB-CD1 4.44Å; R1220-I1449 HydrophobicContact CG-CD1 3.6Å; R1220-I1449 HydrophobicContact CG-CG1 3.73Å; R1220-I1449 HydrophobicContact CG-CG2 4.15Å; L1223-I1449 HydrophobicContact CD1-CD1 4.31Å; L1223-I1449 HydrophobicContact CD1-CG2 4.12Å; V1445-I1449 WeakPolarHBondContact O-CG1 3.41Å; V1445-I1449 PolarHBondContact O-N 3.1Å; F1446-I1449 PolarHBondContact O-N 3.4Å; I1449-F1451 VanDerWaalsContact C-N 3.3Å; I1449-F1451 PolarHBondContact O-N 3.48Å; I1449-D1452 PolarHBondContact O-N 2.75Å; I1449-E1453 WeakPolarHBondContact O-CG 3.22Å; I1449-E1453 PolarHBondContact O-N 3.47Å; I1449-E1453 VanDerWaalsContact O-N 3.17Å |
| 1450 | I | 77.6 | Confident | 78.1 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 178.1 | -64.3 | 170.6 | 0 | 0 | 0 | 111.1 | M1146 F1151 N1154 L1155 T1158 F1446 A1447 F1454 | M1146-I1450 HydrophobicContact CE-CB 4.25Å; M1146-I1450 HydrophobicContact CE-CG2 3.62Å; F1151-I1450 HydrophobicContact CD2-CD1 3.59Å; F1151-I1450 HydrophobicContact CD2-CG1 4.32Å; F1151-I1450 HydrophobicContact CE2-CD1 4Å; F1151-I1450 HydrophobicContact CE2-CG1 4.36Å; F1151-I1450 HydrophobicContact CG-CD1 4.41Å; F1151-I1450 WeakPolarHBondContact O-CD1 3.15Å; N1154-I1450 HydrophobicContact CB-CD1 3.66Å; N1154-I1450 HydrophobicContact CB-CG2 4.27Å; L1155-I1450 HydrophobicContact CD2-CD1 3.91Å; L1155-I1450 HydrophobicContact CD2-CG1 4.07Å; L1155-I1450 HydrophobicContact CG-CD1 3.94Å; T1158-I1450 HydrophobicContact CG2-CG2 3.77Å; F1446-I1450 WeakPolarHBondContact O-CG1 3.48Å; F1446-I1450 PolarHBondContact O-N 3.17Å; A1447-I1450 PolarHBondContact O-N 3.24Å; I1450-F1454 WeakPolarHBondContact O-CB 3.38Å; I1450-F1454 PolarHBondContact O-N 3.08Å |
| 1451 | F | 86.7 | Confident | 77.8 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 177.2 | -177.2 | -93.1 | 0 | 0 | 0 | 111.8 | F1002 M1146 L1195 V1198 H1199 I1202 A1447 S1448 I1449 F1454 C1455 | F1002-F1451 HydrophobicContact CZ-CZ 4.5Å; M1146-F1451 HydrophobicContact SD-CB 3.99Å; M1146-F1451 HydrophobicContact SD-CD2 4Å; L1195-F1451 HydrophobicContact CB-CE2 4.27Å; L1195-F1451 HydrophobicContact CB-CZ 4.49Å; L1195-F1451 HydrophobicContact CD2-CD2 4.25Å; L1195-F1451 HydrophobicContact CD2-CE2 3.62Å; L1195-F1451 HydrophobicContact CD2-CZ 4.39Å; L1195-F1451 WeakPolarHBondContact O-CZ 3.2Å; V1198-F1451 HydrophobicContact CB-CD2 4.26Å; V1198-F1451 HydrophobicContact CB-CE2 3.97Å; V1198-F1451 HydrophobicContact CG1-CD2 3.53Å; V1198-F1451 HydrophobicContact CG1-CE2 3.75Å; V1198-F1451 HydrophobicContact CG1-CG 4.42Å; H1199-F1451 HydrophobicContact CB-CE1 4.03Å; H1199-F1451 HydrophobicContact CB-CZ 3.76Å; I1202-F1451 HydrophobicContact CD1-CB 3.97Å; I1202-F1451 HydrophobicContact CD1-CD2 4.38Å; I1202-F1451 HydrophobicContact CD1-CG 4.07Å; A1447-F1451 WeakPolarHBondContact O-CB 3.3Å; A1447-F1451 PolarHBondContact O-N 3.48Å; S1448-F1451 PolarHBondContact O-N 3.05Å; I1449-F1451 VanDerWaalsContact C-N 3.3Å; I1449-F1451 PolarHBondContact O-N 3.48Å; F1451-F1454 PolarHBondContact O-N 3.21Å; F1451-C1455 WeakPolarHBondContact O-CB 3.21Å; F1451-C1455 PolarHBondContact O-N 2.81Å; F1451-C1455 PolarHBondContact O-SG 3.32Å; F1451-C1455 VanDerWaalsContact O-SG 3.41Å |
| 1452 | D | 76.8 | Confident | 77.2 | Confident | 33 Ų | 33 | 28 Ų | 28 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.1 | -55.9 | 175.7 | -62.7 | -22.4 | 0 | 0 | 0 | 111.1 | I997 R1220 S1448 I1449 F1454 C1455 F1456 | I997-D1452 WeakPolarHBondContact CD1-OD1 3.4Å; R1220-D1452 IonicContact CZ-OD2 2.8Å; R1220-D1452 VanDerWaalsContact NH2-CB 3.31Å; R1220-D1452 IonicContact NH2-OD2 3.34Å; R1220-D1452 PolarHBondContact NH2-OD2 3.04Å; S1448-D1452 VanDerWaalsContact O-CG 3.22Å; S1448-D1452 PolarHBondContact O-N 3.2Å; I1449-D1452 PolarHBondContact O-N 2.75Å; D1452-F1454 VanDerWaalsContact C-N 3.32Å; D1452-F1454 PolarHBondContact O-N 3.35Å; D1452-C1455 PolarHBondContact O-N 3.3Å; D1452-F1456 WeakPolarHBondContact O-CD2 3.14Å; D1452-F1456 PolarHBondContact O-N 3.22Å; D1452-F1456 VanDerWaalsContact O-N 3.12Å |
| 1453 | E | 76.3 | Confident | 76.7 | Confident | 54 Ų | 54 | 28 Ų | 28 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.2 | -37.2 | -177.1 | -56.8 | -47.3 | 129.7 | 0 | 0 | 112.2 | R1220 I1449 F1456 E1457 | R1220-E1453 IonicContact CZ-OE1 3.39Å; R1220-E1453 VanDerWaalsContact CZ-OE1 3.29Å; R1220-E1453 IonicContact NH1-OE1 2.77Å; R1220-E1453 PolarHBondContact NH1-OE1 3.05Å; R1220-E1453 IonicContact NH2-OE1 3.79Å; R1220-E1453 PolarHBondContact NH2-OE1 3.09Å; I1449-E1453 WeakPolarHBondContact O-CG 3.22Å; I1449-E1453 PolarHBondContact O-N 3.47Å; I1449-E1453 VanDerWaalsContact O-N 3.17Å; E1453-F1456 PolarHBondContact O-N 3.24Å; E1453-E1457 PolarHBondContact O-N 2.78Å |
| 1454 | F | 83.5 | Confident | 75.9 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.1 | -35.3 | 177.6 | 179.5 | -126.1 | 0 | 0 | 0 | 112.4 | L1143 T1158 F1161 A1162 L1195 I1450 F1451 D1452 F1456 E1457 L1458 | L1143-F1454 HydrophobicContact CD1-CE1 4.46Å; L1143-F1454 HydrophobicContact CD2-CE1 4.3Å; T1158-F1454 HydrophobicContact CG2-CB 3.82Å; T1158-F1454 HydrophobicContact CG2-CD1 3.7Å; T1158-F1454 HydrophobicContact CG2-CD2 3.73Å; T1158-F1454 HydrophobicContact CG2-CE1 4.14Å; T1158-F1454 HydrophobicContact CG2-CE2 4.17Å; T1158-F1454 HydrophobicContact CG2-CG 3.47Å; T1158-F1454 VanDerWaalsContact CG2-CG 3.47Å; T1158-F1454 HydrophobicContact CG2-CZ 4.36Å; F1161-F1454 HydrophobicContact CB-CE2 4.01Å; F1161-F1454 HydrophobicContact CB-CZ 3.56Å; F1161-F1454 HydrophobicContact CG-CZ 4.39Å; A1162-F1454 HydrophobicContact CB-CE2 4.45Å; L1195-F1454 HydrophobicContact CD2-CD1 4.17Å; L1195-F1454 HydrophobicContact CD2-CE1 4.04Å; I1450-F1454 WeakPolarHBondContact O-CB 3.38Å; I1450-F1454 PolarHBondContact O-N 3.08Å; F1451-F1454 PolarHBondContact O-N 3.21Å; D1452-F1454 VanDerWaalsContact C-N 3.32Å; D1452-F1454 PolarHBondContact O-N 3.35Å; F1454-F1456 VanDerWaalsContact C-N 3.33Å; F1454-E1457 PolarHBondContact O-N 3.34Å; F1454-L1458 HydrophobicContact CD1-CD1 4.14Å; F1454-L1458 HydrophobicContact CD2-CD1 4.46Å; F1454-L1458 HydrophobicContact CD2-CG 4.18Å; F1454-L1458 HydrophobicContact CE1-CD1 3.68Å; F1454-L1458 HydrophobicContact CE1-CG 4.37Å; F1454-L1458 HydrophobicContact CE2-CD1 4.03Å; F1454-L1458 HydrophobicContact CE2-CD2 3.97Å; F1454-L1458 HydrophobicContact CE2-CG 3.82Å; F1454-L1458 HydrophobicContact CZ-CD1 3.61Å; F1454-L1458 HydrophobicContact CZ-CD2 4.06Å; F1454-L1458 HydrophobicContact CZ-CG 3.92Å; F1454-L1458 WeakPolarHBondContact O-CB 3.06Å; F1454-L1458 WeakPolarHBondContact O-CG 3.29Å; F1454-L1458 PolarHBondContact O-N 3.14Å |
| 1455 | C | 79 | Confident | 75 | Confident | 15 Ų | 15 | 30.2 Ų | 30.2 | 10% | 0.101 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 170.9 | -77.2 | 0 | 0 | 0 | 0 | 111.9 | F1001 F1451 D1452 A1459 | F1001-C1455 HydrophobicContact CE1-CB 4.4Å; F1001-C1455 HydrophobicContact CZ-CB 4.1Å; F1451-C1455 WeakPolarHBondContact O-CB 3.21Å; F1451-C1455 PolarHBondContact O-N 2.81Å; F1451-C1455 PolarHBondContact O-SG 3.32Å; F1451-C1455 VanDerWaalsContact O-SG 3.41Å; D1452-C1455 PolarHBondContact O-N 3.3Å; C1455-A1459 WeakPolarHBondContact O-CB 3.2Å; C1455-A1459 PolarHBondContact O-N 2.67Å |
| 1456 | F | 71.2 | Confident | 74.2 | Confident | 128 Ų | 128 | 31.6 Ų | 31.6 | 56% | 0.561 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -67.3 | -41.6 | 172.2 | -68.6 | -60.5 | 0 | 0 | 0 | 112.7 | D1452 E1453 F1454 A1459 A1460 | D1452-F1456 WeakPolarHBondContact O-CD2 3.14Å; D1452-F1456 PolarHBondContact O-N 3.22Å; D1452-F1456 VanDerWaalsContact O-N 3.12Å; E1453-F1456 PolarHBondContact O-N 3.24Å; F1454-F1456 VanDerWaalsContact C-N 3.33Å; F1456-A1459 PolarHBondContact O-N 3.25Å; F1456-A1460 WeakPolarHBondContact O-CB 3.43Å; F1456-A1460 PolarHBondContact O-N 2.8Å |
| 1457 | E | 74.5 | Confident | 73.2 | Confident | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 176 | -171.9 | 179.3 | -151.5 | 0 | 0 | 111.7 | Y666 R673 A1162 E1453 F1454 A1460 L1461 | Y666-E1457 WeakPolarHBondContact CE1-OE2 3.23Å; Y666-E1457 VanDerWaalsContact CZ-OE2 3.25Å; Y666-E1457 PolarHBondContact OH-OE2 3.46Å; R673-E1457 IonicContact NH2-OE1 3.89Å; R673-E1457 PolarHBondContact NH2-OE1 3.18Å; A1162-E1457 VanDerWaalsContact CB-CD 3.47Å; A1162-E1457 HydrophobicContact CB-CG 4.28Å; A1162-E1457 WeakPolarHBondContact CB-OE2 3.47Å; E1453-E1457 PolarHBondContact O-N 2.78Å; F1454-E1457 PolarHBondContact O-N 3.34Å; E1457-A1460 PolarHBondContact O-N 2.84Å; E1457-L1461 HydrophobicContact CG-CD1 4.49Å; E1457-L1461 WeakPolarHBondContact O-CG 3.44Å; E1457-L1461 PolarHBondContact O-N 3.1Å |
| 1458 | L | 76.9 | Confident | 71.8 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.3 | -71.8 | 177 | 0 | 0 | 0 | 112.3 | A1165 L1177 L1191 L1195 F1454 A1460 L1461 C1462 | A1165-L1458 HydrophobicContact CB-CD2 4.03Å; L1177-L1458 HydrophobicContact CD2-CD2 4.09Å; L1191-L1458 HydrophobicContact CD2-CD1 4.1Å; L1191-L1458 HydrophobicContact CD2-CD2 4.32Å; L1195-L1458 HydrophobicContact CD1-CD1 3.75Å; F1454-L1458 HydrophobicContact CD1-CD1 4.14Å; F1454-L1458 HydrophobicContact CD2-CD1 4.46Å; F1454-L1458 HydrophobicContact CD2-CG 4.18Å; F1454-L1458 HydrophobicContact CE1-CD1 3.68Å; F1454-L1458 HydrophobicContact CE1-CG 4.37Å; F1454-L1458 HydrophobicContact CE2-CD1 4.03Å; F1454-L1458 HydrophobicContact CE2-CD2 3.97Å; F1454-L1458 HydrophobicContact CE2-CG 3.82Å; F1454-L1458 HydrophobicContact CZ-CD1 3.61Å; F1454-L1458 HydrophobicContact CZ-CD2 4.06Å; F1454-L1458 HydrophobicContact CZ-CG 3.92Å; F1454-L1458 WeakPolarHBondContact O-CB 3.06Å; F1454-L1458 WeakPolarHBondContact O-CG 3.29Å; F1454-L1458 PolarHBondContact O-N 3.14Å; L1458-A1460 VanDerWaalsContact C-N 3.34Å; L1458-A1460 PolarHBondContact O-N 2.83Å; L1458-L1461 PolarHBondContact O-N 3.12Å; L1458-C1462 PolarHBondContact O-N 2.63Å; L1458-C1462 PolarHBondContact O-SG 3.46Å; L1458-C1462 VanDerWaalsContact O-SG 3.34Å |
| 1459 | A | 70.9 | Confident | 69.7 | Low | 44 Ų | 44 | 41.4 Ų | 41.4 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1455 F1456 C1462 Y1463 | C1455-A1459 WeakPolarHBondContact O-CB 3.2Å; C1455-A1459 PolarHBondContact O-N 2.67Å; F1456-A1459 PolarHBondContact O-N 3.25Å; A1459-C1462 PolarHBondContact O-N 3Å; A1459-Y1463 PolarHBondContact O-N 3.36Å |
| 1460 | A | 65.8 | Low | 68 | Low | 60 Ų | 60 | 44.7 Ų | 44.7 | 50% | 0.496 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.1 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1456 E1457 L1458 Y1463 E1464 | F1456-A1460 WeakPolarHBondContact O-CB 3.43Å; F1456-A1460 PolarHBondContact O-N 2.8Å; E1457-A1460 PolarHBondContact O-N 2.84Å; L1458-A1460 VanDerWaalsContact C-N 3.34Å; L1458-A1460 PolarHBondContact O-N 2.83Å; A1460-Y1463 PolarHBondContact O-N 2.97Å; A1460-E1464 PolarHBondContact O-N 3.23Å |
| 1461 | L | 68.5 | Low | 66.5 | Low | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 175.1 | -72.2 | 171.7 | 0 | 0 | 0 | 112.5 | V674 A1162 A1165 E1457 L1458 E1464 H1465 | V674-L1461 HydrophobicContact CG1-CD2 4.12Å; V674-L1461 HydrophobicContact CG2-CD2 3.65Å; A1162-L1461 HydrophobicContact CB-CD1 4.3Å; A1165-L1461 HydrophobicContact CB-CD1 3.91Å; E1457-L1461 HydrophobicContact CG-CD1 4.49Å; E1457-L1461 WeakPolarHBondContact O-CG 3.44Å; E1457-L1461 PolarHBondContact O-N 3.1Å; L1458-L1461 PolarHBondContact O-N 3.12Å; L1461-E1464 PolarHBondContact O-N 2.96Å; L1461-H1465 PolarHBondContact O-CD2 3.47Å; L1461-H1465 PolarHBondContact O-N 3.11Å |
| 1462 | C | 70 | Confident | 64.1 | Low | 37 Ų | 37 | 50.7 Ų | 50.7 | 25% | 0.25 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 173.8 | -72 | 0 | 0 | 0 | 0 | 111.7 | L1458 A1459 H1465 S1466 | L1458-C1462 PolarHBondContact O-N 2.63Å; L1458-C1462 PolarHBondContact O-SG 3.46Å; L1458-C1462 VanDerWaalsContact O-SG 3.34Å; A1459-C1462 PolarHBondContact O-N 3Å; C1462-H1465 PolarHBondContact O-N 2.89Å; C1462-S1466 PolarHBondContact O-N 3.25Å |
| 1463 | Y | 65.8 | Low | 61.9 | Low | 101 Ų | 101 | 53.1 Ų | 53.1 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.7 | -178.2 | -110 | 0 | 0 | 0 | 111.7 | V644 A1459 A1460 H1465 S1466 L1467 | V644-Y1463 HydrophobicContact CB-CE1 4.37Å; A1459-Y1463 PolarHBondContact O-N 3.36Å; A1460-Y1463 PolarHBondContact O-N 2.97Å; Y1463-H1465 VanDerWaalsContact C-N 3.34Å; Y1463-H1465 PolarHBondContact O-N 3.34Å; Y1463-S1466 PolarHBondContact O-N 2.04Å; Y1463-S1466 VanDerWaalsContact O-N 3.15Å; Y1463-S1466 PolarHBondContact O-OG 3.24Å; Y1463-L1467 HydrophobicContact CD1-CD1 4Å; Y1463-L1467 HydrophobicContact CE1-CD1 3.51Å; Y1463-L1467 HydrophobicContact CE1-CG 4.19Å; Y1463-L1467 HydrophobicContact CE2-CG 4.44Å; Y1463-L1467 PolarHBondContact O-N 2.93Å |
| 1464 | E | 63.9 | Low | 59.6 | Low | 55 Ų | 55 | 56 Ų | 56 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 176.8 | -117.9 | -158.6 | 142.2 | 0 | 0 | 112.5 | V674 R678 A1460 L1461 L1467 | V674-E1464 WeakPolarHBondContact CG1-OE2 3.39Å; R678-E1464 WeakPolarHBondContact CD-OE1 3.47Å; R678-E1464 IonicContact CZ-OE1 3.53Å; R678-E1464 IonicContact CZ-OE2 2.82Å; R678-E1464 IonicContact NE-OE1 3.38Å; R678-E1464 PolarHBondContact NE-OE1 3.11Å; R678-E1464 VanDerWaalsContact NE-OE1 3.13Å; R678-E1464 IonicContact NE-OE2 3.56Å; R678-E1464 VanDerWaalsContact NH1-CD 3.3Å; R678-E1464 IonicContact NH1-OE1 3.32Å; R678-E1464 PolarHBondContact NH1-OE1 3.42Å; R678-E1464 PolarHBondContact NH2-O 2.97Å; R678-E1464 IonicContact NH2-OE1 3.22Å; A1460-E1464 PolarHBondContact O-N 3.23Å; L1461-E1464 PolarHBondContact O-N 2.96Å; E1464-L1467 PolarHBondContact O-N 2.99Å |
| 1465 | H | 65.4 | Low | 57.1 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.028 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 176 | -74.4 | -57.6 | 0 | 0 | 0 | 112.2 | A1165 Y1173 L1461 C1462 Y1463 L1467 N1468 I1471 | A1165-H1465 PolarHBondContact O-NE2 2.78Å; Y1173-H1465 HydrophobicContact CD2-CB 4.03Å; Y1173-H1465 AromaticContact CD2-CD2 3.56Å; Y1173-H1465 AromaticContact CD2-CG 3.8Å; Y1173-H1465 HydrophobicContact CE2-CB 3.53Å; Y1173-H1465 AromaticContact CE2-CD2 3.67Å; Y1173-H1465 AromaticContact CE2-CG 3.79Å; L1461-H1465 PolarHBondContact O-CD2 3.47Å; L1461-H1465 PolarHBondContact O-N 3.11Å; C1462-H1465 PolarHBondContact O-N 2.89Å; Y1463-H1465 VanDerWaalsContact C-N 3.34Å; Y1463-H1465 PolarHBondContact O-N 3.34Å; H1465-L1467 VanDerWaalsContact C-N 3.32Å; H1465-L1467 PolarHBondContact O-N 2.79Å; H1465-N1468 WeakPolarHBondContact O-CB 3.45Å; H1465-N1468 PolarHBondContact O-N 2.89Å; H1465-N1468 VanDerWaalsContact O-N 3.12Å; H1465-I1471 HydrophobicContact CB-CD1 4.09Å |
| 1466 | S | 63.7 | Low | 54.6 | Low | 37 Ų | 37 | 67.7 Ų | 67.7 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65 | -32.8 | 176.7 | 73.9 | 0 | 0 | 0 | 0 | 113.4 | C1462 Y1463 N1468 | C1462-S1466 PolarHBondContact O-N 3.25Å; Y1463-S1466 PolarHBondContact O-N 2.04Å; Y1463-S1466 VanDerWaalsContact O-N 3.15Å; Y1463-S1466 PolarHBondContact O-OG 3.24Å; S1466-N1468 PolarHBondContact O-N 2.81Å |
| 1467 | L | 57.3 | Low | 52.4 | Low | 96 Ų | 96 | 68 Ų | 68 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -6.7 | 173.7 | -72.8 | 179.3 | 0 | 0 | 0 | 114.1 | Y1463 E1464 H1465 P1469 | Y1463-L1467 HydrophobicContact CD1-CD1 4Å; Y1463-L1467 HydrophobicContact CE1-CD1 3.51Å; Y1463-L1467 HydrophobicContact CE1-CG 4.19Å; Y1463-L1467 HydrophobicContact CE2-CG 4.44Å; Y1463-L1467 PolarHBondContact O-N 2.93Å; E1464-L1467 PolarHBondContact O-N 2.99Å; H1465-L1467 VanDerWaalsContact C-N 3.32Å; H1465-L1467 PolarHBondContact O-N 2.79Å; L1467-P1469 VanDerWaalsContact O-CD 3.29Å; L1467-P1469 WeakPolarHBondContact O-CD 3.47Å |
| 1468 | N | 53 | Low | 50.1 | Low | 48 Ų | 48 | 72.5 Ų | 72.5 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | trans | -98.3 | 99.2 | -176.8 | -160.2 | 10.9 | 0 | 0 | 0 | 110.1 | H1465 S1466 D1470 I1471 | H1465-N1468 WeakPolarHBondContact O-CB 3.45Å; H1465-N1468 PolarHBondContact O-N 2.89Å; H1465-N1468 VanDerWaalsContact O-N 3.12Å; S1466-N1468 PolarHBondContact O-N 2.81Å; N1468-D1470 PolarHBondContact O-N 2.91Å; N1468-I1471 HydrophobicContact CB-CD1 4.27Å; N1468-I1471 HydrophobicContact CB-CG1 4.4Å; N1468-I1471 PolarHBondContact O-N 2.91Å | ||
| 1469 | P | 40.8 | Very low | 47.6 | Very low | 92 Ų | 92 | 82.7 Ų | 82.7 | 60% | 0.597 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -60.7 | -24.8 | -171.4 | 25.9 | -35.6 | 0 | 0 | 0 | 112.8 | L1467 I1471 H1472 L1473 | L1467-P1469 VanDerWaalsContact O-CD 3.29Å; L1467-P1469 WeakPolarHBondContact O-CD 3.47Å; P1469-I1471 PolarHBondContact O-N 3.02Å; P1469-I1471 VanDerWaalsContact O-N 3.12Å; P1469-H1472 CarbonylContact O-C 3.55Å; P1469-H1472 VanDerWaalsContact O-C 3.3Å; P1469-H1472 WeakPolarHBondContact O-CA 3.35Å; P1469-H1472 PolarHBondContact O-N 2.9Å; P1469-L1473 PolarHBondContact O-N 3.38Å |
| 1470 | D | 41.3 | Very low | 46.4 | Very low | 75 Ų | 75 | 84.6 Ų | 84.6 | 40% | 0.401 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -65 | -7.2 | 175.6 | -75.3 | -11 | 0 | 0 | 0 | 114.8 | R685 N1468 L1473 | R685-D1470 PolarHBondContact NH1-O 3.07Å; R685-D1470 PolarHBondContact NH2-O 3.45Å; N1468-D1470 PolarHBondContact O-N 2.91Å; D1470-L1473 HydrophobicContact CB-CD1 4.37Å |
| 1471 | I | 45.2 | Very low | 45.4 | Very low | 48 Ų | 48 | 85.9 Ų | 85.9 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -97.6 | -23.3 | 169.9 | -58.5 | -179.5 | 0 | 0 | 0 | 110.9 | P1168 H1465 N1468 P1469 | P1168-I1471 HydrophobicContact CB-CD1 4.36Å; H1465-I1471 HydrophobicContact CB-CD1 4.09Å; N1468-I1471 HydrophobicContact CB-CD1 4.27Å; N1468-I1471 HydrophobicContact CB-CG1 4.4Å; N1468-I1471 PolarHBondContact O-N 2.91Å; P1469-I1471 PolarHBondContact O-N 3.02Å; P1469-I1471 VanDerWaalsContact O-N 3.12Å |
| 1472 | H | 35.4 | Very low | 44.1 | Very low | 90 Ų | 90 | 90.2 Ų | 90.2 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -104.3 | 32.3 | 175 | -83.1 | -53.4 | 0 | 0 | 0 | 113.5 | P1469 N1474 K1475 | P1469-H1472 CarbonylContact O-C 3.55Å; P1469-H1472 VanDerWaalsContact O-C 3.3Å; P1469-H1472 WeakPolarHBondContact O-CA 3.35Å; P1469-H1472 PolarHBondContact O-N 2.9Å; H1472-N1474 PolarHBondContact O-N 2.63Å; H1472-K1475 PolarHBondContact O-N 3.16Å |
| 1473 | L | 31.2 | Very low | 42.6 | Very low | 84 Ų | 84 | 93.4 Ų | 93.4 | 44% | 0.44 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 66.4 | 172.6 | -82.1 | 167.6 | 0 | 0 | 0 | 112.7 | P1469 D1470 | P1469-L1473 PolarHBondContact O-N 3.38Å; D1470-L1473 HydrophobicContact CB-CD1 4.37Å |
| 1474 | N | 29.1 | Very low | 41.1 | Very low | 115 Ų | 115 | 92.9 Ų | 92.9 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -174.9 | 42.6 | 148.8 | -95.5 | -27.9 | 0 | 0 | 0 | 112.3 | H1472 | H1472-N1474 PolarHBondContact O-N 2.63Š|
| 1475 | K | 31 | Very low | 39.6 | Very low | 160 Ų | 160 | 95.4 Ų | 95.4 | 70% | 0.696 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -97.8 | -0.5 | 167.2 | -99.3 | -171.9 | 174.3 | -176.8 | 0 | 114.7 | H1472 | H1472-K1475 PolarHBondContact O-N 3.16Š|
| 1476 | S | 25.7 | Very low | 37.7 | Very low | 102 Ų | 102 | 101.8 Ų | 101.8 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -110.1 | 10.9 | -175.5 | 62 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1477 | N | 25.5 | Very low | 35.8 | Very low | 134 Ų | 134 | 106.8 Ų | 106.8 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -126 | 36.4 | 177.5 | -81.1 | -18.3 | 0 | 0 | 0 | 111.2 | ||
| 1478 | I | 25.4 | Very low | 34 | Very low | 119 Ų | 119 | 107.7 Ų | 107.7 | 61% | 0.61 | 58% | 0.576 | S | S | * | * | trans | -121.9 | 92.9 | 167 | -58.3 | 178.4 | 0 | 0 | 0 | 106 | F1019 | F1019-I1478 HydrophobicContact CE1-CG2 4.3Š| ||
| 1479 | N | 24 | Very low | 32.2 | Very low | 225 Ų | 225 | 113.1 Ų | 113.1 | 100% | 1.203 | 61% | 0.605 | S | S | * | * | trans | -161.1 | 0 | -178.1 | -155 | 111 | 0 | 0 | 0 | 109 |
Retrieved 1,479 of 1,479 residues in 884 ms
(Link to these results)