| 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 | 29.2 | Very low | 61.6 | Low | 245 Ų | 245 | 111.2 Ų | 111.2 | 100% | 1.207 | 57% | 0.571 | S | S | * | * | 0 | 148.6 | 0 | -55.5 | 176.1 | -154.6 | 0 | 0 | 107.7 | |||||
| 2 | G | 35.4 | Very low | 63.5 | Low | 79 Ų | 79 | 106.3 Ų | 106.3 | 81% | 0.814 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 130.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 3 | L | 46.2 | Very low | 65.2 | Low | 90 Ų | 90 | 109.1 Ų | 109.1 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 154.7 | 165.5 | -70.5 | 134.7 | 0 | 0 | 0 | 109.7 | E7 N35 | L3-E7 HydrophobicContact CB-CB 4.16Å; L3-E7 HydrophobicContact CD2-CB 4.19Å; L3-N35 HydrophobicContact CD1-CB 3.96Å; L3-N35 WeakPolarHBondContact CD1-ND2 3.47Å |
| 4 | N | 56.6 | Low | 66.5 | Low | 116 Ų | 116 | 105.7 Ų | 105.7 | 62% | 0.62 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 156 | 180 | -72.8 | -71.2 | 0 | 0 | 0 | 112.4 | Y6 E7 Q8 | N4-Y6 PolarHBondContact O-N 2.93Å; N4-E7 HydrophobicContact CB-CG 4.38Å; N4-E7 VanDerWaalsContact CB-OE2 3.32Å; N4-E7 WeakPolarHBondContact CB-OE2 3.29Å; N4-E7 PolarHBondContact N-OE2 3.04Å; N4-E7 PolarHBondContact ND2-OE2 3.07Å; N4-E7 PolarHBondContact O-N 3.42Å; N4-Q8 PolarHBondContact O-N 3.1Å |
| 5 | N | 60.5 | Low | 68 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 65% | 0.647 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -54.8 | -28.2 | 178.2 | -117.2 | -46.7 | 0 | 0 | 0 | 113.5 | K9 | N5-K9 WeakPolarHBondContact O-CG 3.39Å; N5-K9 PolarHBondContact O-N 3.03Å |
| 6 | Y | 68.8 | Low | 68.9 | Low | 201 Ų | 201 | 99.6 Ų | 99.6 | 79% | 0.788 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -72.7 | -48.4 | 173.3 | -101.9 | -91.4 | 0 | 0 | 0 | 112.4 | N4 Q8 K9 D10 | N4-Y6 PolarHBondContact O-N 2.93Å; Y6-Q8 VanDerWaalsContact C-N 3.31Å; Y6-Q8 PolarHBondContact O-N 3.27Å; Y6-K9 PolarHBondContact O-N 2.86Å; Y6-D10 PolarHBondContact O-N 2.9Å |
| 7 | E | 67.4 | Low | 69.5 | Low | 93 Ų | 93 | 99.1 Ų | 99.1 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.9 | -60.8 | 171.7 | 106.1 | 0 | 0 | 111 | L3 N4 D10 L11 | L3-E7 HydrophobicContact CB-CB 4.16Å; L3-E7 HydrophobicContact CD2-CB 4.19Å; N4-E7 HydrophobicContact CB-CG 4.38Å; N4-E7 VanDerWaalsContact CB-OE2 3.32Å; N4-E7 WeakPolarHBondContact CB-OE2 3.29Å; N4-E7 PolarHBondContact N-OE2 3.04Å; N4-E7 PolarHBondContact ND2-OE2 3.07Å; N4-E7 PolarHBondContact O-N 3.42Å; E7-D10 PolarHBondContact O-N 3.28Å; E7-L11 WeakPolarHBondContact O-CB 3.37Å; E7-L11 PolarHBondContact O-N 2.95Å |
| 8 | Q | 72.8 | Confident | 70.2 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 28% | 0.276 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.7 | -168.7 | 177.4 | 41.7 | 0 | 0 | 112.4 | N4 Y6 L12 N35 | N4-Q8 PolarHBondContact O-N 3.1Å; Y6-Q8 VanDerWaalsContact C-N 3.31Å; Y6-Q8 PolarHBondContact O-N 3.27Å; Q8-L12 WeakPolarHBondContact O-CB 3.35Å; Q8-L12 PolarHBondContact O-N 3.35Å; Q8-N35 PolarHBondContact NE2-OD1 2.9Å |
| 9 | K | 76.1 | Confident | 71 | Confident | 144 Ų | 144 | 90.3 Ų | 90.3 | 63% | 0.626 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.6 | -44.7 | 173.7 | -80.7 | 178.2 | 178.4 | -177.6 | 0 | 112.2 | N5 Y6 L12 R13 | N5-K9 WeakPolarHBondContact O-CG 3.39Å; N5-K9 PolarHBondContact O-N 3.03Å; Y6-K9 PolarHBondContact O-N 2.86Å; K9-L12 WeakPolarHBondContact O-CB 3.36Å; K9-L12 PolarHBondContact O-N 3.19Å; K9-R13 PolarHBondContact O-N 3.36Å |
| 10 | D | 80.5 | Confident | 71.1 | Confident | 55 Ų | 55 | 89.9 Ų | 89.9 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.4 | -34.3 | -179.1 | -161.8 | 62.7 | 0 | 0 | 0 | 111.7 | Y6 E7 R13 R14 | Y6-D10 PolarHBondContact O-N 2.9Å; E7-D10 PolarHBondContact O-N 3.28Å; D10-R13 WeakPolarHBondContact O-CB 3.37Å; D10-R13 PolarHBondContact O-N 3.15Å; D10-R14 WeakPolarHBondContact O-CG 3.16Å; D10-R14 PolarHBondContact O-N 3.24Å; D10-R14 IonicContact OD2-CZ 2.64Å; D10-R14 IonicContact OD2-NE 3.11Å; D10-R14 PolarHBondContact OD2-NE 3.37Å; D10-R14 IonicContact OD2-NH2 3.84Å; D10-R14 PolarHBondContact OD2-NH2 2.93Å |
| 11 | L | 83.9 | Confident | 70.9 | Confident | 20 Ų | 20 | 88.6 Ų | 88.6 | 11% | 0.105 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 168.5 | -177.8 | 70.4 | 0 | 0 | 0 | 111.7 | E7 R13 R14 I15 P31 F37 L113 | E7-L11 WeakPolarHBondContact O-CB 3.37Å; E7-L11 PolarHBondContact O-N 2.95Å; L11-R13 VanDerWaalsContact C-N 3.27Å; L11-R13 PolarHBondContact O-N 2.98Å; L11-R14 PolarHBondContact O-N 2.74Å; L11-I15 HydrophobicContact CD1-CD1 4.29Å; L11-I15 HydrophobicContact CG-CD1 4.02Å; L11-I15 WeakPolarHBondContact O-CB 3.15Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 2.86Å; L11-P31 HydrophobicContact CD2-CB 4.25Å; L11-P31 HydrophobicContact CD2-CG 4.35Å; L11-F37 HydrophobicContact CD1-CE1 3.73Å; L11-F37 HydrophobicContact CD1-CZ 3.87Å; L11-F37 HydrophobicContact CD2-CD1 4.15Å; L11-F37 HydrophobicContact CD2-CE1 3.8Å; L11-F37 HydrophobicContact CG-CE1 4.21Å; L11-L113 HydrophobicContact CD1-CD2 3.63Å |
| 12 | L | 85.3 | Confident | 72.8 | Confident | 52 Ų | 52 | 79 Ų | 79 | 27% | 0.272 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.7 | -38.1 | 174.5 | -95 | 162.3 | 0 | 0 | 0 | 112.3 | Q8 K9 K16 E30 P31 | Q8-L12 WeakPolarHBondContact O-CB 3.35Å; Q8-L12 PolarHBondContact O-N 3.35Å; K9-L12 WeakPolarHBondContact O-CB 3.36Å; K9-L12 PolarHBondContact O-N 3.19Å; L12-K16 WeakPolarHBondContact O-CG 3.44Å; L12-K16 PolarHBondContact O-N 2.76Å; L12-E30 HydrophobicContact CD2-CB 4.43Å; L12-E30 HydrophobicContact CD2-CG 4.33Å; L12-P31 HydrophobicContact CD2-CG 4.08Å; L12-P31 HydrophobicContact CG-CG 3.87Å |
| 13 | R | 84.7 | Confident | 74.1 | Confident | 143 Ų | 143 | 77.1 Ų | 77.1 | 54% | 0.54 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -53 | 174.8 | -179.4 | -172.3 | 165.4 | -150.3 | -12.4 | 111.3 | K9 D10 L11 I15 K16 E17 | K9-R13 PolarHBondContact O-N 3.36Å; D10-R13 WeakPolarHBondContact O-CB 3.37Å; D10-R13 PolarHBondContact O-N 3.15Å; L11-R13 VanDerWaalsContact C-N 3.27Å; L11-R13 PolarHBondContact O-N 2.98Å; R13-I15 VanDerWaalsContact C-N 3.3Å; R13-I15 PolarHBondContact O-N 2.96Å; R13-K16 PolarHBondContact O-N 3.48Å; R13-E17 HydrophobicContact CG-CG 4.48Å; R13-E17 IonicContact CZ-OE1 3.15Å; R13-E17 VanDerWaalsContact CZ-OE1 3.23Å; R13-E17 IonicContact NE-OE1 2.78Å; R13-E17 PolarHBondContact NE-OE1 2.73Å; R13-E17 IonicContact NE-OE2 2.73Å; R13-E17 IonicContact NH2-OE1 2.74Å; R13-E17 PolarHBondContact NH2-OE1 2.76Å; R13-E17 IonicContact NH2-OE2 2.72Å; R13-E17 PolarHBondContact O-N 3.45Å |
| 14 | R | 84.4 | Confident | 75.1 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 23% | 0.234 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57 | -42.5 | 177.6 | -67.5 | 175.9 | -154.5 | -167.8 | 7 | 111.6 | D10 L11 K16 E17 W18 L113 N114 | D10-R14 WeakPolarHBondContact O-CG 3.16Å; D10-R14 PolarHBondContact O-N 3.24Å; D10-R14 IonicContact OD2-CZ 2.64Å; D10-R14 IonicContact OD2-NE 3.11Å; D10-R14 PolarHBondContact OD2-NE 3.37Å; D10-R14 IonicContact OD2-NH2 3.84Å; D10-R14 PolarHBondContact OD2-NH2 2.93Å; L11-R14 PolarHBondContact O-N 2.74Å; R14-K16 VanDerWaalsContact C-N 3.35Å; R14-K16 PolarHBondContact O-N 3.36Å; R14-E17 PolarHBondContact O-N 3.17Å; R14-W18 VanDerWaalsContact O-CB 3.23Å; R14-W18 WeakPolarHBondContact O-CB 3.49Å; R14-W18 PolarHBondContact O-N 2.9Å; R14-L113 HydrophobicContact CB-CD2 3.95Å; R14-L113 HydrophobicContact CB-CG 4.41Å; R14-N114 PolarHBondContact NH1-OD1 3.34Å |
| 15 | I | 88.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.3 | -71 | 169.9 | 0 | 0 | 0 | 111.4 | L11 R13 N19 I28 P31 F37 L113 | L11-I15 HydrophobicContact CD1-CD1 4.29Å; L11-I15 HydrophobicContact CG-CD1 4.02Å; L11-I15 WeakPolarHBondContact O-CB 3.15Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 2.86Å; R13-I15 VanDerWaalsContact C-N 3.3Å; R13-I15 PolarHBondContact O-N 2.96Å; I15-N19 VanDerWaalsContact O-CB 3.22Å; I15-N19 WeakPolarHBondContact O-CB 3.5Å; I15-N19 PolarHBondContact O-N 2.92Å; I15-N19 PolarHBondContact O-ND2 3.38Å; I15-I28 HydrophobicContact CD1-CG2 4.31Å; I15-I28 HydrophobicContact CG1-CG2 4.19Å; I15-I28 HydrophobicContact CG2-CB 4.33Å; I15-I28 HydrophobicContact CG2-CG2 4.3Å; I15-P31 HydrophobicContact CD1-CG 4.41Å; I15-F37 HydrophobicContact CD1-CB 4.48Å; I15-F37 HydrophobicContact CD1-CD1 4.26Å; I15-F37 HydrophobicContact CD1-CD2 4.11Å; I15-F37 HydrophobicContact CD1-CE2 4.34Å; I15-F37 HydrophobicContact CD1-CG 4.05Å; I15-L113 HydrophobicContact CG1-CD1 4.1Å; I15-L113 HydrophobicContact CG1-CD2 4.13Å |
| 16 | K | 82.3 | Confident | 76.1 | Confident | 114 Ų | 114 | 73.4 Ų | 73.4 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.2 | -42.6 | 176.4 | -77.4 | 179 | 178.5 | 176.3 | 0 | 113.1 | L12 R13 R14 N19 A20 E30 | L12-K16 WeakPolarHBondContact O-CG 3.44Å; L12-K16 PolarHBondContact O-N 2.76Å; R13-K16 PolarHBondContact O-N 3.48Å; R14-K16 VanDerWaalsContact C-N 3.35Å; R14-K16 PolarHBondContact O-N 3.36Å; K16-N19 PolarHBondContact O-N 3.43Å; K16-A20 VanDerWaalsContact O-CB 3.31Å; K16-A20 WeakPolarHBondContact O-CB 3.07Å; K16-A20 PolarHBondContact O-N 2.88Å; K16-E30 WeakPolarHBondContact CE-OE1 3.36Å; K16-E30 IonicContact NZ-OE1 3.21Å; K16-E30 PolarHBondContact NZ-OE1 3.38Å |
| 17 | E | 78.2 | Confident | 76.5 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 175.3 | -70.2 | 174.7 | 174.1 | 0 | 0 | 111.5 | R13 R14 T21 | R13-E17 HydrophobicContact CG-CG 4.48Å; R13-E17 IonicContact CZ-OE1 3.15Å; R13-E17 VanDerWaalsContact CZ-OE1 3.23Å; R13-E17 IonicContact NE-OE1 2.78Å; R13-E17 PolarHBondContact NE-OE1 2.73Å; R13-E17 IonicContact NE-OE2 2.73Å; R13-E17 IonicContact NH2-OE1 2.74Å; R13-E17 PolarHBondContact NH2-OE1 2.76Å; R13-E17 IonicContact NH2-OE2 2.72Å; R13-E17 PolarHBondContact O-N 3.45Å; R14-E17 PolarHBondContact O-N 3.17Å; E17-T21 PolarHBondContact O-OG1 3.27Å |
| 18 | W | 82.9 | Confident | 77.6 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -51.6 | 171.7 | 179.7 | -83.1 | 0 | 0 | 0 | 112.2 | R14 A20 T21 R22 F26 I28 Q112 T116 | R14-W18 VanDerWaalsContact O-CB 3.23Å; R14-W18 WeakPolarHBondContact O-CB 3.49Å; R14-W18 PolarHBondContact O-N 2.9Å; W18-A20 VanDerWaalsContact C-N 3.33Å; W18-A20 PolarHBondContact O-N 3.1Å; W18-T21 PolarHBondContact O-N 2.73Å; W18-T21 PolarHBondContact O-OG1 3.02Å; W18-T21 VanDerWaalsContact O-OG1 3.09Å; W18-R22 VanDerWaalsContact CZ2-NE 3.32Å; W18-F26 PolarHBondContact NE1-O 3.48Å; W18-I28 HydrophobicContact CD2-CD1 4.13Å; W18-I28 HydrophobicContact CG-CD1 4.01Å; W18-Q112 HydrophobicContact CH2-CG 3.4Å; W18-Q112 HydrophobicContact CZ2-CG 4.06Å; W18-Q112 HydrophobicContact CZ3-CG 4.08Å; W18-Q112 VanDerWaalsContact CZ3-O 3.26Å; W18-Q112 WeakPolarHBondContact CZ3-O 3.4Å; W18-T116 HydrophobicContact CE3-CG2 3.79Å; W18-T116 HydrophobicContact CZ3-CG2 4.18Å |
| 19 | N | 84.5 | Confident | 78.4 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.6 | -34.1 | -177.3 | -74.4 | -17 | 0 | 0 | 0 | 112.8 | I15 K16 T21 K27 I28 | I15-N19 VanDerWaalsContact O-CB 3.22Å; I15-N19 WeakPolarHBondContact O-CB 3.5Å; I15-N19 PolarHBondContact O-N 2.92Å; I15-N19 PolarHBondContact O-ND2 3.38Å; K16-N19 PolarHBondContact O-N 3.43Å; N19-T21 PolarHBondContact O-N 3.14Å; N19-K27 HydrophobicContact CB-CG 4.18Å; N19-K27 WeakPolarHBondContact OD1-CA 3.36Å; N19-I28 PolarHBondContact ND2-O 2.96Å; N19-I28 PolarHBondContact OD1-N 3.18Å |
| 20 | A | 74.6 | Confident | 78.9 | Confident | 81 Ų | 81 | 62.3 Ų | 62.3 | 67% | 0.669 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | K16 W18 | K16-A20 VanDerWaalsContact O-CB 3.31Å; K16-A20 WeakPolarHBondContact O-CB 3.07Å; K16-A20 PolarHBondContact O-N 2.88Å; W18-A20 VanDerWaalsContact C-N 3.33Å; W18-A20 PolarHBondContact O-N 3.1Å |
| 21 | T | 67 | Low | 79.1 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 5.5 | -174.3 | 61.4 | 0 | 0 | 0 | 0 | 114.6 | E17 W18 N19 T221 | E17-T21 PolarHBondContact O-OG1 3.27Å; W18-T21 PolarHBondContact O-N 2.73Å; W18-T21 PolarHBondContact O-OG1 3.02Å; W18-T21 VanDerWaalsContact O-OG1 3.09Å; N19-T21 PolarHBondContact O-N 3.14Å; T21-T221 WeakPolarHBondContact O-CG2 3.4Å |
| 22 | R | 67.1 | Low | 79 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -129.4 | 167.1 | 179.6 | -63.8 | -164.5 | 179.9 | -150.4 | -1.6 | 113.3 | W18 F26 | W18-R22 VanDerWaalsContact CZ2-NE 3.32Å; R22-F26 HydrophobicContact CB-CB 4.46Å |
| 23 | L | 63 | Low | 78.5 | Confident | 39 Ų | 39 | 67.6 Ų | 67.6 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | trans | -64.2 | 150.9 | 169.1 | -95.4 | 177.9 | 0 | 0 | 0 | 110.9 | L25 F26 K27 R220 | L23-L25 HydrophobicContact CB-CB 4.48Å; L23-L25 PolarHBondContact O-N 3.38Å; L23-L25 VanDerWaalsContact O-N 3.09Å; L23-F26 HydrophobicContact CB-CD2 4.29Å; L23-F26 CarbonylContact O-C 3.49Å; L23-F26 PolarHBondContact O-N 3.14Å; L23-K27 PolarHBondContact O-N 2.72Å; L23-R220 WeakPolarHBondContact CB-O 3.23Å; L23-R220 HydrophobicContact CD1-CB 3.9Å; L23-R220 HydrophobicContact CD1-CG 4.24Å; L23-R220 VanDerWaalsContact CD1-O 3.26Å; L23-R220 WeakPolarHBondContact CD1-O 3.5Å; L23-R220 WeakPolarHBondContact CG-O 3.25Å | ||
| 24 | D | 68.6 | Low | 78.1 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -56.1 | -27.5 | 173.5 | -67.2 | -80.5 | 0 | 0 | 0 | 113.7 | F26 K27 | D24-F26 PolarHBondContact O-N 3.48Å; D24-K27 WeakPolarHBondContact O-CB 3.42Å; D24-K27 PolarHBondContact O-N 2.68Å; D24-K27 VanDerWaalsContact O-N 3.08Å; D24-K27 IonicContact OD1-NZ 2.87Å; D24-K27 PolarHBondContact OD1-NZ 3.13Å |
| 25 | L | 64.7 | Low | 77.8 | Confident | 122 Ų | 122 | 67.5 Ų | 67.5 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -61.2 | -23.4 | 173.6 | -167.2 | 69.4 | 0 | 0 | 0 | 113.7 | L23 | L23-L25 HydrophobicContact CB-CB 4.48Å; L23-L25 PolarHBondContact O-N 3.38Å; L23-L25 VanDerWaalsContact O-N 3.09Å |
| 26 | F | 73 | Confident | 77.6 | Confident | 24 Ų | 24 | 70.6 Ų | 70.6 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -113.8 | 16 | 176.7 | -59.8 | -76.4 | 0 | 0 | 0 | 112.5 | W18 R22 L23 D24 I28 V40 | W18-F26 PolarHBondContact NE1-O 3.48Å; R22-F26 HydrophobicContact CB-CB 4.46Å; L23-F26 HydrophobicContact CB-CD2 4.29Å; L23-F26 CarbonylContact O-C 3.49Å; L23-F26 PolarHBondContact O-N 3.14Å; D24-F26 PolarHBondContact O-N 3.48Å; F26-I28 PolarHBondContact O-N 2.55Å; F26-V40 HydrophobicContact CD1-CB 4.01Å; F26-V40 HydrophobicContact CD1-CG1 3.96Å; F26-V40 HydrophobicContact CE1-CG1 3.96Å |
| 27 | K | 77.6 | Confident | 78 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 45% | 0.452 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 128.8 | 174.7 | -163 | 179 | -155.8 | 155 | 0 | 109.5 | N19 L23 D24 | N19-K27 HydrophobicContact CB-CG 4.18Å; N19-K27 WeakPolarHBondContact OD1-CA 3.36Å; L23-K27 PolarHBondContact O-N 2.72Å; D24-K27 WeakPolarHBondContact O-CB 3.42Å; D24-K27 PolarHBondContact O-N 2.68Å; D24-K27 VanDerWaalsContact O-N 3.08Å; D24-K27 IonicContact OD1-NZ 2.87Å; D24-K27 PolarHBondContact OD1-NZ 3.13Å |
| 28 | I | 88.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 134.3 | 172.4 | -60.8 | 178.6 | 0 | 0 | 0 | 107.2 | I15 W18 N19 F26 F37 N38 L109 L113 | I15-I28 HydrophobicContact CD1-CG2 4.31Å; I15-I28 HydrophobicContact CG1-CG2 4.19Å; I15-I28 HydrophobicContact CG2-CB 4.33Å; I15-I28 HydrophobicContact CG2-CG2 4.3Å; W18-I28 HydrophobicContact CD2-CD1 4.13Å; W18-I28 HydrophobicContact CG-CD1 4.01Å; N19-I28 PolarHBondContact ND2-O 2.96Å; N19-I28 PolarHBondContact OD1-N 3.18Å; F26-I28 PolarHBondContact O-N 2.55Å; I28-F37 HydrophobicContact CG2-CB 4.5Å; I28-F37 HydrophobicContact CG2-CD2 3.48Å; I28-F37 VanDerWaalsContact CG2-CD2 3.48Å; I28-F37 HydrophobicContact CG2-CE2 4.1Å; I28-F37 HydrophobicContact CG2-CG 4.38Å; I28-N38 CarbonylContact C-O 3.54Å; I28-N38 WeakPolarHBondContact CA-O 3.12Å; I28-L109 HydrophobicContact CD1-CD1 4.11Å; I28-L113 HydrophobicContact CD1-CD1 3.39Å |
| 29 | S | 90.6 | Very high | 78.9 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 155.6 | 178 | 74.4 | 0 | 0 | 0 | 0 | 110.9 | N38 | S29-N38 PolarHBondContact N-O 3.24Å; S29-N38 PolarHBondContact OG-N 2.9Å |
| 30 | E | 85.8 | Confident | 79.1 | Confident | 112 Ų | 112 | 62.9 Ų | 62.9 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 147.9 | 163.7 | -66.4 | -160.7 | 149.1 | 0 | 0 | 109.6 | L12 K16 | L12-E30 HydrophobicContact CD2-CB 4.43Å; L12-E30 HydrophobicContact CD2-CG 4.33Å; K16-E30 WeakPolarHBondContact CE-OE1 3.36Å; K16-E30 IonicContact NZ-OE1 3.21Å; K16-E30 PolarHBondContact NZ-OE1 3.38Å |
| 31 | P | 84.6 | Confident | 79.8 | Confident | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.143 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 136 | -178.9 | 26.5 | -32.7 | 0 | 0 | 0 | 112.1 | L11 L12 I15 F37 | L11-P31 HydrophobicContact CD2-CB 4.25Å; L11-P31 HydrophobicContact CD2-CG 4.35Å; L12-P31 HydrophobicContact CD2-CG 4.08Å; L12-P31 HydrophobicContact CG-CG 3.87Å; I15-P31 HydrophobicContact CD1-CG 4.41Å; P31-F37 HydrophobicContact CB-CB 4.34Å; P31-F37 HydrophobicContact CB-CD1 4.28Å |
| 32 | T | 83.3 | Confident | 80.8 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | trans | -67.8 | 175.8 | 174.6 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | R34 N35 E36 | T32-R34 PolarHBondContact O-N 2.88Å; T32-R34 PolarHBondContact OG1-N 3.49Å; T32-N35 WeakPolarHBondContact O-CA 3.33Å; T32-N35 PolarHBondContact O-N 3.26Å; T32-E36 WeakPolarHBondContact CG2-O 3.34Å; T32-E36 PolarHBondContact N-O 3.13Å; T32-E36 PolarHBondContact OG1-N 2.82Å; T32-E36 PolarHBondContact OG1-O 2.97Å | ||
| 33 | K | 74.1 | Confident | 82.1 | Confident | 161 Ų | 161 | 57.4 Ų | 57.4 | 70% | 0.7 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -10.2 | 172.3 | -63.9 | -176.4 | 179.8 | 179.3 | 0 | 114.5 | ||
| 34 | R | 75.8 | Confident | 83.4 | Confident | 192 Ų | 192 | 56.1 Ų | 56.1 | 73% | 0.725 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 1.2 | 172.2 | -69.1 | -176.7 | 172 | -172.2 | -2.2 | 113.4 | T32 E36 | T32-R34 PolarHBondContact O-N 2.88Å; T32-R34 PolarHBondContact OG1-N 3.49Å; R34-E36 HydrophobicContact CB-CG 3.91Å; R34-E36 VanDerWaalsContact CD-OE1 3.28Å; R34-E36 WeakPolarHBondContact CD-OE1 3.43Å; R34-E36 WeakPolarHBondContact CD-OE2 3.43Å; R34-E36 IonicContact NH1-OE1 2.72Å; R34-E36 PolarHBondContact O-N 3.01Å |
| 35 | N | 78.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 55.9 | 28.3 | -163.9 | -67.8 | -15.3 | 0 | 0 | 0 | 113.8 | L3 Q8 T32 N61 | L3-N35 HydrophobicContact CD1-CB 3.96Å; L3-N35 WeakPolarHBondContact CD1-ND2 3.47Å; Q8-N35 PolarHBondContact NE2-OD1 2.9Å; T32-N35 WeakPolarHBondContact O-CA 3.33Å; T32-N35 PolarHBondContact O-N 3.26Å; N35-N61 PolarHBondContact O-ND2 2.81Å |
| 36 | E | 84.1 | Confident | 85.2 | Confident | 66 Ų | 66 | 47.8 Ų | 47.8 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | trans | -81.2 | 131.7 | 166.4 | -65.4 | 155.7 | 177.6 | 0 | 0 | 108.3 | T32 R34 N61 T62 | T32-E36 WeakPolarHBondContact CG2-O 3.34Å; T32-E36 PolarHBondContact N-O 3.13Å; T32-E36 PolarHBondContact OG1-N 2.82Å; T32-E36 PolarHBondContact OG1-O 2.97Å; R34-E36 HydrophobicContact CB-CG 3.91Å; R34-E36 VanDerWaalsContact CD-OE1 3.28Å; R34-E36 WeakPolarHBondContact CD-OE1 3.43Å; R34-E36 WeakPolarHBondContact CD-OE2 3.43Å; R34-E36 IonicContact NH1-OE1 2.72Å; R34-E36 PolarHBondContact O-N 3.01Å; E36-N61 VanDerWaalsContact CA-OD1 3.23Å; E36-N61 WeakPolarHBondContact CA-OD1 3.49Å; E36-T62 HydrophobicContact CG-CG2 4.32Å | ||
| 37 | F | 91.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | trans | -144.7 | 149.2 | 177.1 | 58.7 | -91 | 0 | 0 | 0 | 111.7 | L11 I15 I28 P31 T60 N61 L109 L110 L113 | L11-F37 HydrophobicContact CD1-CE1 3.73Å; L11-F37 HydrophobicContact CD1-CZ 3.87Å; L11-F37 HydrophobicContact CD2-CD1 4.15Å; L11-F37 HydrophobicContact CD2-CE1 3.8Å; L11-F37 HydrophobicContact CG-CE1 4.21Å; I15-F37 HydrophobicContact CD1-CB 4.48Å; I15-F37 HydrophobicContact CD1-CD1 4.26Å; I15-F37 HydrophobicContact CD1-CD2 4.11Å; I15-F37 HydrophobicContact CD1-CE2 4.34Å; I15-F37 HydrophobicContact CD1-CG 4.05Å; I28-F37 HydrophobicContact CG2-CB 4.5Å; I28-F37 HydrophobicContact CG2-CD2 3.48Å; I28-F37 VanDerWaalsContact CG2-CD2 3.48Å; I28-F37 HydrophobicContact CG2-CE2 4.1Å; I28-F37 HydrophobicContact CG2-CG 4.38Å; P31-F37 HydrophobicContact CB-CB 4.34Å; P31-F37 HydrophobicContact CB-CD1 4.28Å; F37-T60 CarbonylContact O-C 3.56Å; F37-T60 WeakPolarHBondContact O-CA 3.28Å; F37-N61 HydrophobicContact CD1-CB 3.9Å; F37-N61 VanDerWaalsContact CD1-CG 3.46Å; F37-N61 WeakPolarHBondContact CD1-ND2 3.41Å; F37-N61 HydrophobicContact CD2-CB 4.07Å; F37-N61 HydrophobicContact CE1-CB 3.55Å; F37-N61 VanDerWaalsContact CE1-CG 3.43Å; F37-N61 VanDerWaalsContact CE1-ND2 3.25Å; F37-N61 WeakPolarHBondContact CE1-ND2 3.26Å; F37-N61 HydrophobicContact CE2-CB 3.76Å; F37-N61 HydrophobicContact CG-CB 4.16Å; F37-N61 HydrophobicContact CZ-CB 3.48Å; F37-N61 VanDerWaalsContact CZ-CB 3.48Å; F37-N61 PolarHBondContact N-OD1 3.43Å; F37-N61 PolarHBondContact O-N 2.91Å; F37-N61 PolarHBondContact O-OD1 2.93Å; F37-L109 HydrophobicContact CD2-CD2 3.71Å; F37-L109 HydrophobicContact CD2-CG 4.39Å; F37-L109 HydrophobicContact CE2-CD2 3.75Å; F37-L109 HydrophobicContact CE2-CG 3.95Å; F37-L109 WeakPolarHBondContact O-CD2 3.3Å; F37-L110 HydrophobicContact CE1-CD2 4.49Å; F37-L110 HydrophobicContact CZ-CD2 4Å; F37-L110 HydrophobicContact CZ-CG 4.23Å; F37-L113 HydrophobicContact CE2-CD1 4.41Å; F37-L113 HydrophobicContact CZ-CD2 4.41Å | ||
| 38 | N | 90.9 | Very high | 85.1 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.1 | -168.3 | -59.8 | -15.7 | 0 | 0 | 0 | 110.6 | I28 S29 I59 T60 | I28-N38 CarbonylContact C-O 3.54Å; I28-N38 WeakPolarHBondContact CA-O 3.12Å; S29-N38 PolarHBondContact N-O 3.24Å; S29-N38 PolarHBondContact OG-N 2.9Å; N38-I59 WeakPolarHBondContact CA-O 3.39Å; N38-T60 WeakPolarHBondContact OD1-CG2 3.14Å |
| 39 | G | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 171.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R58 I59 | G39-R58 CarbonylContact O-C 3.58Å; G39-R58 VanDerWaalsContact O-CA 3.3Å; G39-R58 WeakPolarHBondContact O-CA 3.18Å; G39-I59 PolarHBondContact N-O 3.19Å; G39-I59 PolarHBondContact O-N 3.1Å; G39-I59 VanDerWaalsContact O-O 3.11Å |
| 40 | V | 89.9 | Confident | 83 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.2 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | F26 C56 R58 | F26-V40 HydrophobicContact CD1-CB 4.01Å; F26-V40 HydrophobicContact CD1-CG1 3.96Å; F26-V40 HydrophobicContact CE1-CG1 3.96Å; V40-C56 HydrophobicContact CG1-CB 3.83Å; V40-R58 HydrophobicContact CG2-CB 4.2Å; V40-R58 HydrophobicContact CG2-CG 4.26Å |
| 41 | V | 89.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.8 | 179.4 | 175.4 | 0 | 0 | 0 | 0 | 109.4 | F43 C56 I57 I59 L109 F124 | V41-F43 HydrophobicContact CB-CD2 4.49Å; V41-F43 HydrophobicContact CB-CE2 3.8Å; V41-F43 HydrophobicContact CB-CZ 4.19Å; V41-F43 HydrophobicContact CG1-CD2 3.99Å; V41-F43 HydrophobicContact CG1-CE1 4.13Å; V41-F43 HydrophobicContact CG1-CE2 3.46Å; V41-F43 VanDerWaalsContact CG1-CE2 3.46Å; V41-F43 HydrophobicContact CG1-CZ 3.54Å; V41-C56 CarbonylContact O-C 3.53Å; V41-C56 WeakPolarHBondContact O-CA 3.28Å; V41-I57 PolarHBondContact N-O 3.38Å; V41-I57 PolarHBondContact O-N 3.04Å; V41-I59 HydrophobicContact CB-CD1 4.01Å; V41-I59 HydrophobicContact CB-CG1 4.26Å; V41-I59 HydrophobicContact CG2-CD1 3.64Å; V41-I59 HydrophobicContact CG2-CG1 3.82Å; V41-L109 HydrophobicContact CG2-CB 4.46Å; V41-L109 HydrophobicContact CG2-CD1 3.73Å; V41-F124 HydrophobicContact CG1-CD2 3.49Å; V41-F124 VanDerWaalsContact CG1-CD2 3.49Å; V41-F124 HydrophobicContact CG1-CE2 3.69Å |
| 42 | R | 87.9 | Confident | 82 | Confident | 73 Ų | 73 | 54 Ų | 54 | 28% | 0.275 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.3 | 173 | -176.6 | -178.5 | -67 | -97.3 | 1.5 | 109.3 | F44 S54 | R42-F44 HydrophobicContact CG-CE2 4.15Å; R42-F44 HydrophobicContact CG-CZ 4.33Å; R42-S54 PolarHBondContact NH1-OG 3.02Å |
| 43 | F | 92.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 147.8 | 169.9 | -61.1 | -90.6 | 0 | 0 | 0 | 109.5 | V41 S54 K55 I57 I59 L68 L72 F76 I90 P108 F124 | V41-F43 HydrophobicContact CB-CD2 4.49Å; V41-F43 HydrophobicContact CB-CE2 3.8Å; V41-F43 HydrophobicContact CB-CZ 4.19Å; V41-F43 HydrophobicContact CG1-CD2 3.99Å; V41-F43 HydrophobicContact CG1-CE1 4.13Å; V41-F43 HydrophobicContact CG1-CE2 3.46Å; V41-F43 VanDerWaalsContact CG1-CE2 3.46Å; V41-F43 HydrophobicContact CG1-CZ 3.54Å; F43-S54 CarbonylContact O-C 3.44Å; F43-S54 VanDerWaalsContact O-CA 3.24Å; F43-S54 WeakPolarHBondContact O-CA 3.09Å; F43-S54 WeakPolarHBondContact O-CB 3.1Å; F43-K55 PolarHBondContact N-O 3.5Å; F43-K55 PolarHBondContact O-N 3.34Å; F43-I57 HydrophobicContact CD2-CG1 4.48Å; F43-I59 HydrophobicContact CZ-CD1 4.27Å; F43-L68 HydrophobicContact CZ-CD1 4.17Å; F43-L72 HydrophobicContact CB-CD1 4.41Å; F43-L72 HydrophobicContact CB-CD2 3.52Å; F43-L72 HydrophobicContact CD1-CD1 3.66Å; F43-L72 HydrophobicContact CD1-CD2 4.18Å; F43-L72 HydrophobicContact CD2-CD1 4.32Å; F43-L72 HydrophobicContact CD2-CD2 3.63Å; F43-L72 HydrophobicContact CE1-CD1 3.94Å; F43-L72 HydrophobicContact CE2-CD2 4.38Å; F43-L72 HydrophobicContact CG-CD1 3.87Å; F43-L72 HydrophobicContact CG-CD2 3.51Å; F43-L72 HydrophobicContact CG-CG 4.35Å; F43-L72 HydrophobicContact CZ-CD1 4.37Å; F43-F76 HydrophobicContact CB-CE2 4.43Å; F43-I90 HydrophobicContact CD1-CG2 4.33Å; F43-I90 HydrophobicContact CE1-CD1 4.12Å; F43-I90 HydrophobicContact CE1-CG2 4.23Å; F43-P108 HydrophobicContact CE1-CB 4.12Å; F43-P108 HydrophobicContact CE1-CG 4.2Å; F43-P108 HydrophobicContact CZ-CB 4.01Å; F43-P108 HydrophobicContact CZ-CG 4.19Å; F43-F124 CarbonylContact C-O 3.45Å; F43-F124 HydrophobicContact CD1-CB 3.51Å; F43-F124 HydrophobicContact CD1-CD2 4.41Å; F43-F124 HydrophobicContact CD1-CG 4.2Å; F43-F124 HydrophobicContact CE1-CB 3.88Å; F43-F124 HydrophobicContact CE1-CD2 4.12Å; F43-F124 HydrophobicContact CE1-CG 4.08Å; F43-F124 HydrophobicContact CG-CB 4.39Å |
| 44 | F | 90.8 | Very high | 82.5 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 154.5 | 170.2 | -62.6 | -97.7 | 0 | 0 | 0 | 108.9 | R42 Y52 Q53 R123 F124 I125 L126 P214 | R42-F44 HydrophobicContact CG-CE2 4.15Å; R42-F44 HydrophobicContact CG-CZ 4.33Å; F44-Y52 HydrophobicContact CB-CD1 4.32Å; F44-Q53 CarbonylContact C-O 3.23Å; F44-Q53 WeakPolarHBondContact CA-O 3.49Å; F44-R123 HydrophobicContact CD2-CB 4.2Å; F44-R123 HydrophobicContact CE2-CB 4.04Å; F44-R123 HydrophobicContact CE2-CG 4.24Å; F44-F124 WeakPolarHBondContact CD2-O 3.28Å; F44-F124 PolarHBondContact N-O 3.44Å; F44-I125 CarbonylContact O-C 3.49Å; F44-I125 WeakPolarHBondContact O-CA 3.44Å; F44-L126 PolarHBondContact O-N 2.83Å; F44-P214 HydrophobicContact CE1-CG 4.37Å |
| 45 | F | 88.6 | Confident | 82.8 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.7 | 168.6 | 168.6 | -108.6 | 0 | 0 | 0 | 108.6 | Y52 Q53 F76 H77 Y88 L126 | F45-Y52 CarbonylContact O-C 3.59Å; F45-Y52 WeakPolarHBondContact O-CA 3.38Å; F45-Q53 PolarHBondContact N-O 3.32Å; F45-Q53 PolarHBondContact O-N 3.31Å; F45-F76 HydrophobicContact CB-CB 4.47Å; F45-F76 HydrophobicContact CB-CD1 3.63Å; F45-F76 HydrophobicContact CB-CD2 3.69Å; F45-F76 HydrophobicContact CB-CE1 3.64Å; F45-F76 HydrophobicContact CB-CE2 3.7Å; F45-F76 HydrophobicContact CB-CG 3.67Å; F45-F76 HydrophobicContact CB-CZ 3.69Å; F45-F76 HydrophobicContact CG-CD1 4.42Å; F45-F76 HydrophobicContact CG-CD2 4.43Å; F45-F76 HydrophobicContact CG-CG 4.22Å; F45-H77 AromaticContact CD1-NE2 3.96Å; F45-H77 AromaticContact CE1-CE1 3.56Å; F45-H77 AromaticContact CE1-NE2 3.24Å; F45-H77 WeakPolarHBondContact CE1-NE2 3.46Å; F45-H77 AromaticContact CZ-NE2 3.32Å; F45-H77 VanDerWaalsContact CZ-NE2 3.32Å; F45-H77 WeakPolarHBondContact CZ-NE2 3.3Å; F45-Y88 HydrophobicContact CE2-CD1 4.48Å; F45-Y88 AromaticContact CE2-CE1 3.96Å; F45-Y88 HydrophobicContact CE2-CE1 3.96Å; F45-L126 HydrophobicContact CB-CB 4.48Å; F45-L126 HydrophobicContact CD2-CB 4.16Å; F45-L126 HydrophobicContact CD2-CD2 3.93Å; F45-L126 HydrophobicContact CD2-CG 4.28Å; F45-L126 WeakPolarHBondContact CD2-O 3.42Å |
| 46 | R | 83.1 | Confident | 83.2 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.9 | 175.7 | -177 | -176.6 | 166.2 | 145.9 | 1.3 | 109.3 | Y52 I125 L126 R127 E211 | R46-Y52 HydrophobicContact CB-CD1 4.11Å; R46-Y52 HydrophobicContact CB-CE1 3.67Å; R46-Y52 HydrophobicContact CG-CE1 3.98Å; R46-I125 HydrophobicContact CB-CG2 4.29Å; R46-L126 PolarHBondContact N-O 3.27Å; R46-R127 HydrophobicContact CB-CG 4.26Å; R46-E211 IonicContact CZ-OE1 2.78Å; R46-E211 VanDerWaalsContact CZ-OE1 3.31Å; R46-E211 IonicContact CZ-OE2 2.81Å; R46-E211 IonicContact NH1-OE1 2.8Å; R46-E211 IonicContact NH1-OE2 3.72Å; R46-E211 PolarHBondContact NH1-OE2 3.45Å; R46-E211 IonicContact NH2-OE1 2.82Å; R46-E211 PolarHBondContact NH2-OE1 2.87Å; R46-E211 IonicContact NH2-OE2 3.59Å; R46-E211 PolarHBondContact NH2-OE2 3.19Å |
| 47 | G | 78.2 | Confident | 83.4 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | trans | -75.5 | 167.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D49 G50 K51 | G47-D49 PolarHBondContact O-N 2.82Å; G47-D49 VanDerWaalsContact O-N 3.15Å; G47-G50 PolarHBondContact O-N 2.97Å; G47-K51 PolarHBondContact N-O 3.32Å | ||
| 48 | D | 69.7 | Low | 83.3 | Confident | 127 Ų | 127 | 48.1 Ų | 48.1 | 68% | 0.679 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.5 | 178.4 | -64.3 | 7.6 | 0 | 0 | 0 | 113.2 | G50 K131 | D48-G50 VanDerWaalsContact C-N 3.34Å; D48-K131 IonicContact OD1-NZ 3.94Å; D48-K131 PolarHBondContact OD1-NZ 2.8Å; D48-K131 IonicContact OD2-NZ 3.84Å; D48-K131 PolarHBondContact OD2-NZ 3.43Å |
| 49 | D | 69.1 | Low | 83.3 | Confident | 99 Ų | 99 | 45.9 Ų | 45.9 | 53% | 0.529 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 13.1 | 177.1 | 72 | -22.2 | 0 | 0 | 0 | 113.4 | G47 K51 | G47-D49 PolarHBondContact O-N 2.82Å; G47-D49 VanDerWaalsContact O-N 3.15Å; D49-K51 PolarHBondContact O-N 2.98Å; D49-K51 WeakPolarHBondContact OD1-CB 3.41Å; D49-K51 PolarHBondContact OD1-N 3.08Å; D49-K51 VanDerWaalsContact OD1-N 3.12Å; D49-K51 WeakPolarHBondContact OD2-CD 3.17Å; D49-K51 WeakPolarHBondContact OD2-CG 3.44Å; D49-K51 IonicContact OD2-NZ 3Å; D49-K51 PolarHBondContact OD2-NZ 3.01Å |
| 50 | G | 67.1 | Low | 83.5 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 75.7 | -9.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G47 D48 | G47-G50 PolarHBondContact O-N 2.97Å; D48-G50 VanDerWaalsContact C-N 3.34Å |
| 51 | K | 69.1 | Low | 83.6 | Confident | 137 Ų | 137 | 47.4 Ų | 47.4 | 60% | 0.596 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -79.3 | 148.6 | -175.1 | -59.3 | -167.7 | -166.5 | 83.9 | 0 | 112 | G47 D49 | G47-K51 PolarHBondContact N-O 3.32Å; D49-K51 PolarHBondContact O-N 2.98Å; D49-K51 WeakPolarHBondContact OD1-CB 3.41Å; D49-K51 PolarHBondContact OD1-N 3.08Å; D49-K51 VanDerWaalsContact OD1-N 3.12Å; D49-K51 WeakPolarHBondContact OD2-CD 3.17Å; D49-K51 WeakPolarHBondContact OD2-CG 3.44Å; D49-K51 IonicContact OD2-NZ 3Å; D49-K51 PolarHBondContact OD2-NZ 3.01Å |
| 52 | Y | 79.7 | Confident | 83.6 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.7 | 179.3 | -68.4 | -88.5 | 0 | 0 | 0 | 111.6 | F44 F45 R46 I125 I213 P214 | F44-Y52 HydrophobicContact CB-CD1 4.32Å; F45-Y52 CarbonylContact O-C 3.59Å; F45-Y52 WeakPolarHBondContact O-CA 3.38Å; R46-Y52 HydrophobicContact CB-CD1 4.11Å; R46-Y52 HydrophobicContact CB-CE1 3.67Å; R46-Y52 HydrophobicContact CG-CE1 3.98Å; Y52-I125 HydrophobicContact CD1-CG2 4.46Å; Y52-I125 HydrophobicContact CE1-CD1 4.16Å; Y52-I125 HydrophobicContact CE1-CG2 3.93Å; Y52-I213 HydrophobicContact CE1-CG1 4.03Å; Y52-I213 HydrophobicContact CE2-CB 4.41Å; Y52-I213 HydrophobicContact CE2-CG1 3.85Å; Y52-I213 VanDerWaalsContact CZ-CG1 3.5Å; Y52-I213 WeakPolarHBondContact OH-CG1 3.47Å; Y52-P214 HydrophobicContact CG-CG 4.48Å |
| 53 | Q | 80.5 | Confident | 83.9 | Confident | 103 Ų | 103 | 49.3 Ų | 49.3 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 161.3 | 161.6 | -60.1 | -170.8 | 9.6 | 0 | 0 | 109.5 | F44 F45 F76 | F44-Q53 CarbonylContact C-O 3.23Å; F44-Q53 WeakPolarHBondContact CA-O 3.49Å; F45-Q53 PolarHBondContact N-O 3.32Å; F45-Q53 PolarHBondContact O-N 3.31Å; Q53-F76 HydrophobicContact CB-CD1 4.1Å; Q53-F76 HydrophobicContact CB-CE1 3.93Å |
| 54 | S | 87.1 | Confident | 83.9 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.8 | 172.4 | 78 | 0 | 0 | 0 | 0 | 113.5 | R42 F43 | R42-S54 PolarHBondContact NH1-OG 3.02Å; F43-S54 CarbonylContact O-C 3.44Å; F43-S54 VanDerWaalsContact O-CA 3.24Å; F43-S54 WeakPolarHBondContact O-CA 3.09Å; F43-S54 WeakPolarHBondContact O-CB 3.1Å |
| 55 | K | 83 | Confident | 84 | Confident | 63 Ų | 63 | 51 Ų | 51 | 27% | 0.274 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 140.1 | 174 | -67.1 | -166.5 | 179.5 | -166.3 | 0 | 110.9 | F43 K75 F76 | F43-K55 PolarHBondContact N-O 3.5Å; F43-K55 PolarHBondContact O-N 3.34Å; K55-K75 HydrophobicContact CD-CB 4.22Å; K55-K75 VanDerWaalsContact CD-O 3.28Å; K55-K75 WeakPolarHBondContact CD-O 3.36Å; K55-K75 VanDerWaalsContact CE-O 3.31Å; K55-K75 WeakPolarHBondContact CE-O 3.32Å; K55-K75 PolarHBondContact NZ-O 3.15Å; K55-F76 HydrophobicContact CB-CE1 4.19Å; K55-F76 HydrophobicContact CB-CZ 4.11Å; K55-F76 HydrophobicContact CD-CD1 4.24Å; K55-F76 HydrophobicContact CD-CE1 4.32Å; K55-F76 HydrophobicContact CG-CD1 4.19Å; K55-F76 HydrophobicContact CG-CE1 3.78Å; K55-F76 HydrophobicContact CG-CZ 4.22Å |
| 56 | C | 87.3 | Confident | 84 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 28% | 0.284 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 138 | 169.4 | -64.5 | 0 | 0 | 0 | 0 | 109.3 | V40 V41 | V40-C56 HydrophobicContact CG1-CB 3.83Å; V41-C56 CarbonylContact O-C 3.53Å; V41-C56 WeakPolarHBondContact O-CA 3.28Å |
| 57 | I | 87.9 | Confident | 84.4 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.2 | 172.5 | -52.3 | -170.2 | 0 | 0 | 0 | 107.9 | V41 F43 I59 I71 L72 K75 | V41-I57 PolarHBondContact N-O 3.38Å; V41-I57 PolarHBondContact O-N 3.04Å; F43-I57 HydrophobicContact CD2-CG1 4.48Å; I57-I59 HydrophobicContact CB-CG2 4.11Å; I57-I59 HydrophobicContact CG2-CG2 3.68Å; I57-I71 HydrophobicContact CD1-CG2 4.09Å; I57-L72 HydrophobicContact CD1-CD2 3.52Å; I57-L72 HydrophobicContact CD1-CG 4.16Å; I57-L72 HydrophobicContact CG1-CD2 4.46Å; I57-K75 HydrophobicContact CD1-CB 4.49Å; I57-K75 HydrophobicContact CD1-CD 4.09Å; I57-K75 HydrophobicContact CD1-CG 4.39Å; I57-K75 HydrophobicContact CG1-CD 4.3Å |
| 58 | R | 88.1 | Confident | 85.1 | Confident | 93 Ų | 93 | 61 Ų | 61 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 118.2 | 167.9 | -169.9 | -171 | -69.6 | -83.4 | 6.6 | 107.3 | G39 V40 N2251 | G39-R58 CarbonylContact O-C 3.58Å; G39-R58 VanDerWaalsContact O-CA 3.3Å; G39-R58 WeakPolarHBondContact O-CA 3.18Å; V40-R58 HydrophobicContact CG2-CB 4.2Å; V40-R58 HydrophobicContact CG2-CG 4.26Å; R58-N2251 PolarHBondContact NE-OD1 3.47Å |
| 59 | I | 92.5 | Very high | 86 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 158.8 | -177.8 | 66.7 | 169.6 | 0 | 0 | 0 | 110.3 | N38 G39 V41 F43 I57 D63 L68 P108 L109 | N38-I59 WeakPolarHBondContact CA-O 3.39Å; G39-I59 PolarHBondContact N-O 3.19Å; G39-I59 PolarHBondContact O-N 3.1Å; G39-I59 VanDerWaalsContact O-O 3.11Å; V41-I59 HydrophobicContact CB-CD1 4.01Å; V41-I59 HydrophobicContact CB-CG1 4.26Å; V41-I59 HydrophobicContact CG2-CD1 3.64Å; V41-I59 HydrophobicContact CG2-CG1 3.82Å; F43-I59 HydrophobicContact CZ-CD1 4.27Å; I57-I59 HydrophobicContact CB-CG2 4.11Å; I57-I59 HydrophobicContact CG2-CG2 3.68Å; I59-D63 HydrophobicContact CB-CB 4.27Å; I59-L68 HydrophobicContact CD1-CD1 3.85Å; I59-L68 HydrophobicContact CG2-CD1 4.38Å; I59-L68 HydrophobicContact CG2-CD2 3.64Å; I59-P108 HydrophobicContact CD1-CB 4.33Å; I59-L109 HydrophobicContact CD1-CB 4Å; I59-L109 HydrophobicContact CG1-CB 4.15Å |
| 60 | T | 92.2 | Very high | 86.6 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 171.8 | 170.5 | 69.8 | 0 | 0 | 0 | 0 | 110.4 | F37 N38 T62 D63 | F37-T60 CarbonylContact O-C 3.56Å; F37-T60 WeakPolarHBondContact O-CA 3.28Å; N38-T60 WeakPolarHBondContact OD1-CG2 3.14Å; T60-T62 VanDerWaalsContact C-N 3.27Å; T60-T62 PolarHBondContact OG1-N 3.33Å; T60-T62 PolarHBondContact OG1-OG1 3.37Å; T60-D63 WeakPolarHBondContact CB-OD2 3.36Å; T60-D63 PolarHBondContact N-OD2 3.37Å; T60-D63 PolarHBondContact OG1-N 3.31Å; T60-D63 PolarHBondContact OG1-OD2 2.83Å |
| 61 | N | 91 | Very high | 87.5 | Confident | 20 Ų | 20 | 58 Ų | 58 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -81.3 | -2.6 | 166.7 | 68.9 | -49.9 | 0 | 0 | 0 | 114 | N35 E36 F37 A107 L109 L110 | N35-N61 PolarHBondContact O-ND2 2.81Å; E36-N61 VanDerWaalsContact CA-OD1 3.23Å; E36-N61 WeakPolarHBondContact CA-OD1 3.49Å; F37-N61 HydrophobicContact CD1-CB 3.9Å; F37-N61 VanDerWaalsContact CD1-CG 3.46Å; F37-N61 WeakPolarHBondContact CD1-ND2 3.41Å; F37-N61 HydrophobicContact CD2-CB 4.07Å; F37-N61 HydrophobicContact CE1-CB 3.55Å; F37-N61 VanDerWaalsContact CE1-CG 3.43Å; F37-N61 VanDerWaalsContact CE1-ND2 3.25Å; F37-N61 WeakPolarHBondContact CE1-ND2 3.26Å; F37-N61 HydrophobicContact CE2-CB 3.76Å; F37-N61 HydrophobicContact CG-CB 4.16Å; F37-N61 HydrophobicContact CZ-CB 3.48Å; F37-N61 VanDerWaalsContact CZ-CB 3.48Å; F37-N61 PolarHBondContact N-OD1 3.43Å; F37-N61 PolarHBondContact O-N 2.91Å; F37-N61 PolarHBondContact O-OD1 2.93Å; N61-A107 WeakPolarHBondContact O-CB 3.23Å; N61-L109 HydrophobicContact CB-CD2 4.25Å; N61-L110 HydrophobicContact CB-CD1 4.21Å; N61-L110 HydrophobicContact CB-CG 4.14Å |
| 62 | T | 90.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -98.5 | -10.8 | 172.9 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | E36 T60 T64 | E36-T62 HydrophobicContact CG-CG2 4.32Å; T60-T62 VanDerWaalsContact C-N 3.27Å; T60-T62 PolarHBondContact OG1-N 3.33Å; T60-T62 PolarHBondContact OG1-OG1 3.37Å; T62-T64 PolarHBondContact O-N 3.02Å; T62-T64 VanDerWaalsContact O-N 3.16Å |
| 63 | D | 92.9 | Very high | 88.7 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 15% | 0.15 | 26% | 0.255 | C | S | . | . | trans | -71 | 104.1 | 174.1 | -71.7 | -50.4 | 0 | 0 | 0 | 111.5 | I59 T60 Y67 L68 A107 P108 | I59-D63 HydrophobicContact CB-CB 4.27Å; T60-D63 WeakPolarHBondContact CB-OD2 3.36Å; T60-D63 PolarHBondContact N-OD2 3.37Å; T60-D63 PolarHBondContact OG1-N 3.31Å; T60-D63 PolarHBondContact OG1-OD2 2.83Å; D63-Y67 HydrophobicContact CB-CD1 4.37Å; D63-Y67 WeakPolarHBondContact OD1-CD1 3.49Å; D63-Y67 WeakPolarHBondContact OD1-CE1 3.31Å; D63-L68 HydrophobicContact CB-CD1 3.93Å; D63-L68 HydrophobicContact CB-CD2 4.07Å; D63-L68 HydrophobicContact CB-CG 4.02Å; D63-A107 WeakPolarHBondContact O-CA 3.44Å; D63-P108 VanDerWaalsContact O-CD 3.27Å; D63-P108 WeakPolarHBondContact O-CD 3.32Å | ||
| 64 | T | 93.4 | Very high | 88.5 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 24% | 0.239 | 25% | 0.251 | C | S | . | . | trans | -79.2 | 157.9 | 178.9 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | T62 R66 Y67 L68 D105 E106 | T62-T64 PolarHBondContact O-N 3.02Å; T62-T64 VanDerWaalsContact O-N 3.16Å; T64-R66 PolarHBondContact O-N 3Å; T64-Y67 PolarHBondContact O-N 3.03Å; T64-Y67 VanDerWaalsContact O-N 3.08Å; T64-L68 WeakPolarHBondContact O-CG 3.46Å; T64-L68 PolarHBondContact O-N 2.79Å; T64-D105 WeakPolarHBondContact CG2-O 3.31Å; T64-E106 CarbonylContact C-O 3.6Å; T64-E106 WeakPolarHBondContact CA-O 3.31Å | ||
| 65 | A | 93.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.1 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y67 L68 V69 I90 L102 E106 | A65-Y67 VanDerWaalsContact C-N 3.35Å; A65-Y67 PolarHBondContact O-N 3.16Å; A65-L68 PolarHBondContact O-N 3.4Å; A65-V69 WeakPolarHBondContact O-CG2 3.48Å; A65-V69 PolarHBondContact O-N 3.34Å; A65-I90 HydrophobicContact CB-CD1 4.1Å; A65-L102 HydrophobicContact CB-CB 4.25Å; A65-L102 HydrophobicContact CB-CD2 4.43Å; A65-E106 PolarHBondContact N-O 3.06Å |
| 66 | R | 89.7 | Confident | 88.2 | Confident | 141 Ų | 141 | 47.8 Ų | 47.8 | 53% | 0.532 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.7 | -41.1 | 176.2 | 177 | 178.3 | -81.9 | 120.9 | -6 | 112.8 | T64 A104 D105 | T64-R66 PolarHBondContact O-N 3Å; R66-A104 HydrophobicContact CB-CB 4.25Å; R66-A104 WeakPolarHBondContact CB-O 3.41Å; R66-A104 VanDerWaalsContact CZ-CB 3.47Å; R66-A104 PolarHBondContact N-O 2.91Å; R66-D105 IonicContact CZ-OD1 3.9Å; R66-D105 IonicContact CZ-OD2 2.81Å; R66-D105 IonicContact NH1-OD1 3.22Å; R66-D105 PolarHBondContact NH1-OD1 3.24Å; R66-D105 IonicContact NH1-OD2 3.3Å; R66-D105 PolarHBondContact NH1-OD2 2.77Å |
| 67 | Y | 89.9 | Confident | 87.6 | Confident | 133 Ų | 133 | 47.6 Ų | 47.6 | 52% | 0.522 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.3 | -45.2 | 176.2 | 177.6 | -121.6 | 0 | 0 | 0 | 111.1 | D63 T64 A65 V69 N70 I71 | D63-Y67 HydrophobicContact CB-CD1 4.37Å; D63-Y67 WeakPolarHBondContact OD1-CD1 3.49Å; D63-Y67 WeakPolarHBondContact OD1-CE1 3.31Å; T64-Y67 PolarHBondContact O-N 3.03Å; T64-Y67 VanDerWaalsContact O-N 3.08Å; A65-Y67 VanDerWaalsContact C-N 3.35Å; A65-Y67 PolarHBondContact O-N 3.16Å; Y67-V69 PolarHBondContact O-N 3.46Å; Y67-N70 PolarHBondContact O-N 3.47Å; Y67-I71 HydrophobicContact CD1-CD1 4.04Å; Y67-I71 HydrophobicContact CE1-CD1 3.54Å; Y67-I71 HydrophobicContact CE2-CD1 4.07Å |
| 68 | L | 92.6 | Very high | 85.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.8 | -29.1 | -176.1 | -68.7 | 171.8 | 0 | 0 | 0 | 113.9 | F43 I59 D63 T64 A65 N70 I71 L72 I90 P108 | F43-L68 HydrophobicContact CZ-CD1 4.17Å; I59-L68 HydrophobicContact CD1-CD1 3.85Å; I59-L68 HydrophobicContact CG2-CD1 4.38Å; I59-L68 HydrophobicContact CG2-CD2 3.64Å; D63-L68 HydrophobicContact CB-CD1 3.93Å; D63-L68 HydrophobicContact CB-CD2 4.07Å; D63-L68 HydrophobicContact CB-CG 4.02Å; T64-L68 WeakPolarHBondContact O-CG 3.46Å; T64-L68 PolarHBondContact O-N 2.79Å; A65-L68 PolarHBondContact O-N 3.4Å; L68-N70 VanDerWaalsContact C-N 3.31Å; L68-N70 PolarHBondContact O-N 2.81Å; L68-I71 HydrophobicContact CD2-CD1 4.5Å; L68-I71 PolarHBondContact O-N 3.25Å; L68-L72 HydrophobicContact CB-CD1 4.26Å; L68-L72 VanDerWaalsContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 WeakPolarHBondContact O-CD1 3.41Å; L68-L72 WeakPolarHBondContact O-CG 3.17Å; L68-L72 PolarHBondContact O-N 3.18Å; L68-I90 HydrophobicContact CB-CD1 4.06Å; L68-P108 HydrophobicContact CD1-CG 3.71Å |
| 69 | V | 90.1 | Very high | 84 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 13% | 0.127 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.6 | -48.7 | 174.1 | 161 | 0 | 0 | 0 | 0 | 111.3 | A65 Y67 I71 L72 V73 I90 L126 | A65-V69 WeakPolarHBondContact O-CG2 3.48Å; A65-V69 PolarHBondContact O-N 3.34Å; Y67-V69 PolarHBondContact O-N 3.46Å; V69-I71 PolarHBondContact O-N 3.41Å; V69-L72 PolarHBondContact O-N 2.84Å; V69-V73 HydrophobicContact CG1-CG2 4.44Å; V69-V73 VanDerWaalsContact O-CG2 3.31Å; V69-V73 WeakPolarHBondContact O-CG2 3.14Å; V69-V73 PolarHBondContact O-N 3.41Å; V69-I90 HydrophobicContact CG2-CD1 4.17Å; V69-I90 HydrophobicContact CG2-CG1 3.8Å; V69-L126 HydrophobicContact CG2-CD1 4.21Å |
| 70 | N | 81.8 | Confident | 81.9 | Confident | 117 Ų | 117 | 50.8 Ų | 50.8 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | -178 | -68.1 | -26.5 | 0 | 0 | 0 | 111.8 | Y67 L68 L72 E74 | Y67-N70 PolarHBondContact O-N 3.47Å; L68-N70 VanDerWaalsContact C-N 3.31Å; L68-N70 PolarHBondContact O-N 2.81Å; N70-L72 VanDerWaalsContact C-N 3.34Å; N70-E74 PolarHBondContact O-N 3.22Å |
| 71 | I | 85.8 | Confident | 79.8 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66 | -37.5 | 177.3 | -63.4 | 174.5 | 0 | 0 | 0 | 111.1 | I57 Y67 L68 V69 K75 | I57-I71 HydrophobicContact CD1-CG2 4.09Å; Y67-I71 HydrophobicContact CD1-CD1 4.04Å; Y67-I71 HydrophobicContact CE1-CD1 3.54Å; Y67-I71 HydrophobicContact CE2-CD1 4.07Å; L68-I71 HydrophobicContact CD2-CD1 4.5Å; L68-I71 PolarHBondContact O-N 3.25Å; V69-I71 PolarHBondContact O-N 3.41Å; I71-K75 WeakPolarHBondContact O-CB 3.31Å; I71-K75 PolarHBondContact O-N 2.82Å |
| 72 | L | 89.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.2 | -44.2 | 178.6 | -74.6 | 164.1 | 0 | 0 | 0 | 111.4 | F43 I57 L68 V69 N70 E74 K75 F76 I90 L126 | F43-L72 HydrophobicContact CB-CD1 4.41Å; F43-L72 HydrophobicContact CB-CD2 3.52Å; F43-L72 HydrophobicContact CD1-CD1 3.66Å; F43-L72 HydrophobicContact CD1-CD2 4.18Å; F43-L72 HydrophobicContact CD2-CD1 4.32Å; F43-L72 HydrophobicContact CD2-CD2 3.63Å; F43-L72 HydrophobicContact CE1-CD1 3.94Å; F43-L72 HydrophobicContact CE2-CD2 4.38Å; F43-L72 HydrophobicContact CG-CD1 3.87Å; F43-L72 HydrophobicContact CG-CD2 3.51Å; F43-L72 HydrophobicContact CG-CG 4.35Å; F43-L72 HydrophobicContact CZ-CD1 4.37Å; I57-L72 HydrophobicContact CD1-CD2 3.52Å; I57-L72 HydrophobicContact CD1-CG 4.16Å; I57-L72 HydrophobicContact CG1-CD2 4.46Å; L68-L72 HydrophobicContact CB-CD1 4.26Å; L68-L72 VanDerWaalsContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 WeakPolarHBondContact O-CD1 3.41Å; L68-L72 WeakPolarHBondContact O-CG 3.17Å; L68-L72 PolarHBondContact O-N 3.18Å; V69-L72 PolarHBondContact O-N 2.84Å; N70-L72 VanDerWaalsContact C-N 3.34Å; L72-E74 VanDerWaalsContact C-N 3.35Å; L72-E74 PolarHBondContact O-N 3.39Å; L72-K75 PolarHBondContact O-N 3.27Å; L72-F76 HydrophobicContact CB-CD2 4.42Å; L72-F76 HydrophobicContact CD2-CD2 4.46Å; L72-F76 HydrophobicContact CD2-CE2 3.93Å; L72-F76 WeakPolarHBondContact O-CB 3.26Å; L72-F76 VanDerWaalsContact O-CD2 3.22Å; L72-F76 WeakPolarHBondContact O-CD2 3.05Å; L72-F76 PolarHBondContact O-N 2.84Å; L72-I90 HydrophobicContact CD1-CD1 3.57Å; L72-I90 HydrophobicContact CD1-CG1 4.03Å; L72-L126 HydrophobicContact CB-CD1 4.18Å; L72-L126 HydrophobicContact CB-CD2 4.03Å; L72-L126 HydrophobicContact CD1-CD1 4.31Å |
| 73 | V | 83.3 | Confident | 75 | Confident | 35 Ų | 35 | 66 Ų | 66 | 21% | 0.212 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 173.7 | 173 | 0 | 0 | 0 | 0 | 110.4 | V69 F76 H77 Y88 L126 | V69-V73 HydrophobicContact CG1-CG2 4.44Å; V69-V73 VanDerWaalsContact O-CG2 3.31Å; V69-V73 WeakPolarHBondContact O-CG2 3.14Å; V69-V73 PolarHBondContact O-N 3.41Å; V73-F76 PolarHBondContact O-N 3.48Å; V73-H77 WeakPolarHBondContact O-CA 3.41Å; V73-H77 WeakPolarHBondContact O-CB 3.38Å; V73-H77 PolarHBondContact O-N 3.39Å; V73-Y88 HydrophobicContact CG1-CD2 4.38Å; V73-Y88 HydrophobicContact CG1-CE2 4.11Å; V73-Y88 HydrophobicContact CG2-CD1 3.94Å; V73-Y88 HydrophobicContact CG2-CD2 3.39Å; V73-Y88 HydrophobicContact CG2-CE1 4.35Å; V73-Y88 HydrophobicContact CG2-CE2 3.87Å; V73-Y88 HydrophobicContact CG2-CG 3.43Å; V73-Y88 VanDerWaalsContact CG2-CG 3.43Å; V73-L126 HydrophobicContact CG2-CD2 4.07Å |
| 74 | E | 76.4 | Confident | 72.8 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 173.7 | 168.3 | 163.4 | -157 | 0 | 0 | 113.1 | N70 L72 R81 | N70-E74 PolarHBondContact O-N 3.22Å; L72-E74 VanDerWaalsContact C-N 3.35Å; L72-E74 PolarHBondContact O-N 3.39Å; E74-R81 VanDerWaalsContact CD-NH1 3.34Å; E74-R81 IonicContact OE1-CZ 2.58Å; E74-R81 VanDerWaalsContact OE1-CZ 3.24Å; E74-R81 IonicContact OE1-NH1 3.56Å; E74-R81 PolarHBondContact OE1-NH1 3.34Å; E74-R81 IonicContact OE1-NH2 2.74Å; E74-R81 PolarHBondContact OE1-NH2 2.84Å; E74-R81 IonicContact OE2-CZ 2.8Å; E74-R81 IonicContact OE2-NH1 3.46Å; E74-R81 IonicContact OE2-NH2 3.87Å; E74-R81 PolarHBondContact OE2-NH2 3.06Å |
| 75 | K | 81.5 | Confident | 71 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71 | -34 | -179.8 | -82.4 | -137.5 | 170.5 | -165.1 | 0 | 112.3 | K55 I57 I71 L72 E2258 | K55-K75 HydrophobicContact CD-CB 4.22Å; K55-K75 VanDerWaalsContact CD-O 3.28Å; K55-K75 WeakPolarHBondContact CD-O 3.36Å; K55-K75 VanDerWaalsContact CE-O 3.31Å; K55-K75 WeakPolarHBondContact CE-O 3.32Å; K55-K75 PolarHBondContact NZ-O 3.15Å; I57-K75 HydrophobicContact CD1-CB 4.49Å; I57-K75 HydrophobicContact CD1-CD 4.09Å; I57-K75 HydrophobicContact CD1-CG 4.39Å; I57-K75 HydrophobicContact CG1-CD 4.3Å; I71-K75 WeakPolarHBondContact O-CB 3.31Å; I71-K75 PolarHBondContact O-N 2.82Å; L72-K75 PolarHBondContact O-N 3.27Å; K75-E2258 IonicContact NZ-OE1 2.88Å; K75-E2258 PolarHBondContact NZ-OE1 2.95Å; K75-E2258 IonicContact NZ-OE2 2.96Å; K75-E2258 PolarHBondContact NZ-OE2 2.82Å |
| 76 | F | 82.2 | Confident | 69.6 | Low | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -80.5 | -37.3 | 175.8 | -77.4 | -68.3 | 0 | 0 | 0 | 113 | F43 F45 Q53 K55 L72 V73 P78 L126 | F43-F76 HydrophobicContact CB-CE2 4.43Å; F45-F76 HydrophobicContact CB-CB 4.47Å; F45-F76 HydrophobicContact CB-CD1 3.63Å; F45-F76 HydrophobicContact CB-CD2 3.69Å; F45-F76 HydrophobicContact CB-CE1 3.64Å; F45-F76 HydrophobicContact CB-CE2 3.7Å; F45-F76 HydrophobicContact CB-CG 3.67Å; F45-F76 HydrophobicContact CB-CZ 3.69Å; F45-F76 HydrophobicContact CG-CD1 4.42Å; F45-F76 HydrophobicContact CG-CD2 4.43Å; F45-F76 HydrophobicContact CG-CG 4.22Å; Q53-F76 HydrophobicContact CB-CD1 4.1Å; Q53-F76 HydrophobicContact CB-CE1 3.93Å; K55-F76 HydrophobicContact CB-CE1 4.19Å; K55-F76 HydrophobicContact CB-CZ 4.11Å; K55-F76 HydrophobicContact CD-CD1 4.24Å; K55-F76 HydrophobicContact CD-CE1 4.32Å; K55-F76 HydrophobicContact CG-CD1 4.19Å; K55-F76 HydrophobicContact CG-CE1 3.78Å; K55-F76 HydrophobicContact CG-CZ 4.22Å; L72-F76 HydrophobicContact CB-CD2 4.42Å; L72-F76 HydrophobicContact CD2-CD2 4.46Å; L72-F76 HydrophobicContact CD2-CE2 3.93Å; L72-F76 WeakPolarHBondContact O-CB 3.26Å; L72-F76 VanDerWaalsContact O-CD2 3.22Å; L72-F76 WeakPolarHBondContact O-CD2 3.05Å; L72-F76 PolarHBondContact O-N 2.84Å; V73-F76 PolarHBondContact O-N 3.48Å; F76-P78 WeakPolarHBondContact O-CD 3.34Å; F76-L126 HydrophobicContact CD2-CD2 4.11Å |
| 77 | H | 75.5 | Confident | 69.1 | Low | 38 Ų | 38 | 74.5 Ų | 74.5 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | trans | -127.4 | 70.1 | -174.4 | -62.9 | -51.6 | 0 | 0 | 0 | 112.7 | F45 V73 D79 L80 | F45-H77 AromaticContact CD1-NE2 3.96Å; F45-H77 AromaticContact CE1-CE1 3.56Å; F45-H77 AromaticContact CE1-NE2 3.24Å; F45-H77 WeakPolarHBondContact CE1-NE2 3.46Å; F45-H77 AromaticContact CZ-NE2 3.32Å; F45-H77 VanDerWaalsContact CZ-NE2 3.32Å; F45-H77 WeakPolarHBondContact CZ-NE2 3.3Å; V73-H77 WeakPolarHBondContact O-CA 3.41Å; V73-H77 WeakPolarHBondContact O-CB 3.38Å; V73-H77 PolarHBondContact O-N 3.39Å; H77-D79 VanDerWaalsContact C-N 3.25Å; H77-D79 PolarHBondContact O-N 3.17Å; H77-L80 HydrophobicContact CB-CB 4.19Å; H77-L80 HydrophobicContact CB-CD1 4.1Å | ||
| 78 | P | 53 | Low | 69 | Low | 45 Ų | 45 | 69.6 Ų | 69.6 | 29% | 0.292 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -32.9 | -179.8 | 25.3 | -34.4 | 0 | 0 | 0 | 113.4 | F76 | F76-P78 WeakPolarHBondContact O-CD 3.34Š|
| 79 | D | 46.9 | Very low | 68.8 | Low | 62 Ų | 62 | 69.8 Ų | 69.8 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -14.5 | -171.2 | -79.5 | 34.9 | 0 | 0 | 0 | 114.6 | H77 R81 K2273 | H77-D79 VanDerWaalsContact C-N 3.25Å; H77-D79 PolarHBondContact O-N 3.17Å; D79-R81 PolarHBondContact O-N 3.09Å; D79-K2273 IonicContact OD2-NZ 3.79Å; D79-K2273 PolarHBondContact OD2-NZ 2.58Å |
| 80 | L | 49.3 | Very low | 69 | Low | 74 Ų | 74 | 68.9 Ų | 68.9 | 39% | 0.387 | 35% | 0.353 | S | S | . | . | trans | -93.2 | 13 | -170.2 | -77.2 | 163.1 | 0 | 0 | 0 | 114.9 | H77 M82 L83 | H77-L80 HydrophobicContact CB-CB 4.19Å; H77-L80 HydrophobicContact CB-CD1 4.1Å; L80-M82 PolarHBondContact O-N 3.37Å; L80-L83 HydrophobicContact CD2-CB 4.39Å; L80-L83 PolarHBondContact O-N 2.94Å; L80-L83 VanDerWaalsContact O-N 3.08Å | ||
| 81 | R | 47.9 | Very low | 69.5 | Low | 174 Ų | 174 | 65.3 Ų | 65.3 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 1.2 | -178.5 | -87 | 179.3 | 148.1 | 133.9 | -1.8 | 116.6 | E74 D79 | E74-R81 VanDerWaalsContact CD-NH1 3.34Å; E74-R81 IonicContact OE1-CZ 2.58Å; E74-R81 VanDerWaalsContact OE1-CZ 3.24Å; E74-R81 IonicContact OE1-NH1 3.56Å; E74-R81 PolarHBondContact OE1-NH1 3.34Å; E74-R81 IonicContact OE1-NH2 2.74Å; E74-R81 PolarHBondContact OE1-NH2 2.84Å; E74-R81 IonicContact OE2-CZ 2.8Å; E74-R81 IonicContact OE2-NH1 3.46Å; E74-R81 IonicContact OE2-NH2 3.87Å; E74-R81 PolarHBondContact OE2-NH2 3.06Å; D79-R81 PolarHBondContact O-N 3.09Å |
| 82 | M | 41 | Very low | 69.8 | Low | 144 Ų | 144 | 63.9 Ų | 63.9 | 71% | 0.709 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | -9.7 | 176.4 | -76.3 | -178.7 | 62.5 | 0 | 0 | 115.5 | L80 | L80-M82 PolarHBondContact O-N 3.37Š|
| 83 | L | 39.3 | Very low | 69.7 | Low | 142 Ų | 142 | 66.6 Ų | 66.6 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | -10.3 | -159 | -70.9 | 176.7 | 0 | 0 | 0 | 118.6 | L80 | L80-L83 HydrophobicContact CD2-CB 4.39Å; L80-L83 PolarHBondContact O-N 2.94Å; L80-L83 VanDerWaalsContact O-N 3.08Å |
| 84 | T | 47.2 | Very low | 69.6 | Low | 72 Ų | 72 | 65.8 Ų | 65.8 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | trans | -141.8 | 110.2 | 176.6 | 40.3 | 0 | 0 | 0 | 0 | 113.3 | G86 | T84-G86 PolarHBondContact O-N 2.84Å; T84-G86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | A | 54.5 | Low | 69.2 | Low | 107 Ų | 107 | 65.8 Ų | 65.8 | 88% | 0.884 | 33% | 0.334 | S | S | * | . | trans | -85.1 | 52.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 86 | G | 64.9 | Low | 68.5 | Low | 17 Ų | 17 | 69.6 Ų | 69.6 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | trans | -65.1 | 147.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T84 Y88 D128 | T84-G86 PolarHBondContact O-N 2.84Å; T84-G86 VanDerWaalsContact O-N 3.13Å; G86-Y88 VanDerWaalsContact O-CD2 3.27Å; G86-Y88 WeakPolarHBondContact O-CD2 3.45Å; G86-Y88 PolarHBondContact O-N 3.3Å; G86-D128 VanDerWaalsContact CA-OD1 3.32Å; G86-D128 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 87 | R | 77.9 | Confident | 67.7 | Low | 195 Ų | 195 | 74.5 Ų | 74.5 | 74% | 0.736 | 38% | 0.383 | S | S | * | . | trans | -94.6 | 87.3 | 176.2 | -83 | -169.7 | 173.8 | -173.8 | -0.2 | 108.9 | D128 E129 | R87-D128 PolarHBondContact N-OD1 3.42Å; R87-E129 HydrophobicContact CB-CB 4.37Å; R87-E129 WeakPolarHBondContact O-CA 3.48Å; R87-E129 VanDerWaalsContact O-CB 3.24Å; R87-E129 WeakPolarHBondContact O-CB 3.46Å; R87-E129 WeakPolarHBondContact O-CG 3.43Å; R87-E129 PolarHBondContact O-N 2.97Å | ||
| 88 | Y | 87.9 | Confident | 67.4 | Low | 31 Ų | 31 | 74.2 Ų | 74.2 | 12% | 0.122 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 145.4 | -173.6 | -63.7 | -89.7 | 0 | 0 | 0 | 113.7 | F45 V73 G86 L126 R127 D128 | F45-Y88 HydrophobicContact CE2-CD1 4.48Å; F45-Y88 AromaticContact CE2-CE1 3.96Å; F45-Y88 HydrophobicContact CE2-CE1 3.96Å; V73-Y88 HydrophobicContact CG1-CD2 4.38Å; V73-Y88 HydrophobicContact CG1-CE2 4.11Å; V73-Y88 HydrophobicContact CG2-CD1 3.94Å; V73-Y88 HydrophobicContact CG2-CD2 3.39Å; V73-Y88 HydrophobicContact CG2-CE1 4.35Å; V73-Y88 HydrophobicContact CG2-CE2 3.87Å; V73-Y88 HydrophobicContact CG2-CG 3.43Å; V73-Y88 VanDerWaalsContact CG2-CG 3.43Å; G86-Y88 VanDerWaalsContact O-CD2 3.27Å; G86-Y88 WeakPolarHBondContact O-CD2 3.45Å; G86-Y88 PolarHBondContact O-N 3.3Å; Y88-L126 HydrophobicContact CD1-CD2 4.08Å; Y88-L126 HydrophobicContact CD1-CG 4.23Å; Y88-R127 VanDerWaalsContact CA-O 3.26Å; Y88-R127 WeakPolarHBondContact CA-O 3.41Å; Y88-D128 HydrophobicContact CD1-CB 3.96Å; Y88-D128 HydrophobicContact CE1-CB 3.67Å |
| 89 | A | 89.6 | Confident | 68.8 | Low | 5 Ų | 5 | 74.7 Ų | 74.7 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y91 L126 R127 E129 | A89-Y91 HydrophobicContact CB-CE2 3.93Å; A89-L126 WeakPolarHBondContact O-CA 3.43Å; A89-R127 PolarHBondContact N-O 2.65Å; A89-R127 PolarHBondContact O-N 3.11Å; A89-E129 HydrophobicContact CB-CG 4.07Å; A89-E129 VanDerWaalsContact CB-OE1 3.26Å; A89-E129 WeakPolarHBondContact CB-OE1 3.49Å |
| 90 | I | 93.7 | Very high | 70.8 | Confident | 3 Ų | 3 | 76.7 Ų | 76.7 | 2% | 0.015 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.1 | 176.3 | -53.4 | 173.2 | 0 | 0 | 0 | 108.9 | F43 A65 L68 V69 L72 L102 F124 L126 | F43-I90 HydrophobicContact CD1-CG2 4.33Å; F43-I90 HydrophobicContact CE1-CD1 4.12Å; F43-I90 HydrophobicContact CE1-CG2 4.23Å; A65-I90 HydrophobicContact CB-CD1 4.1Å; L68-I90 HydrophobicContact CB-CD1 4.06Å; V69-I90 HydrophobicContact CG2-CD1 4.17Å; V69-I90 HydrophobicContact CG2-CG1 3.8Å; L72-I90 HydrophobicContact CD1-CD1 3.57Å; L72-I90 HydrophobicContact CD1-CG1 4.03Å; I90-L102 HydrophobicContact CG2-CD1 4.21Å; I90-L102 HydrophobicContact CG2-CD2 4.26Å; I90-L102 PolarHBondContact O-N 2.83Å; I90-F124 HydrophobicContact CG2-CB 4.12Å; I90-F124 HydrophobicContact CG2-CD1 4.27Å; I90-L126 HydrophobicContact CG1-CD1 4.01Å |
| 91 | Y | 92.6 | Very high | 72.6 | Confident | 42 Ų | 42 | 79.5 Ų | 79.5 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.6 | 175 | -70.6 | -101.3 | 0 | 0 | 0 | 109.8 | A89 E99 R100 R101 F124 I125 R127 E129 | A89-Y91 HydrophobicContact CB-CE2 3.93Å; Y91-E99 WeakPolarHBondContact CB-OE1 3.4Å; Y91-E99 HydrophobicContact CD1-CG 3.83Å; Y91-E99 HydrophobicContact CG-CG 4.29Å; Y91-R100 CarbonylContact C-O 3.07Å; Y91-R100 VanDerWaalsContact CA-O 3.23Å; Y91-R100 WeakPolarHBondContact CA-O 3.41Å; Y91-R101 HydrophobicContact CD1-CB 3.88Å; Y91-R101 HydrophobicContact CD1-CG 4.43Å; Y91-R101 HydrophobicContact CE1-CB 3.55Å; Y91-R101 HydrophobicContact CE1-CG 3.99Å; Y91-R101 HydrophobicContact CE2-CG 4.38Å; Y91-F124 CarbonylContact O-C 3.35Å; Y91-F124 WeakPolarHBondContact O-CA 3.47Å; Y91-I125 PolarHBondContact N-O 3.42Å; Y91-I125 PolarHBondContact O-N 2.93Å; Y91-R127 HydrophobicContact CD2-CB 4.39Å; Y91-R127 HydrophobicContact CE2-CB 4.37Å; Y91-E129 PolarHBondContact OH-OE1 3.19Å |
| 92 | E | 91.3 | Very high | 74.7 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 8% | 0.075 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.5 | 170.3 | 161.3 | 171.1 | -127.5 | 0 | 0 | 107.7 | H94 E99 R100 L102 V111 W115 F124 | E92-H94 IonicContact OE1-NE2 3.86Å; E92-H94 PolarHBondContact OE1-NE2 3.38Å; E92-E99 WeakPolarHBondContact O-CA 3.33Å; E92-R100 HydrophobicContact CB-CB 4.42Å; E92-R100 PolarHBondContact N-O 2.73Å; E92-R100 PolarHBondContact O-N 2.64Å; E92-R100 WeakPolarHBondContact OE2-CD 3.5Å; E92-R100 IonicContact OE2-CZ 2.59Å; E92-R100 IonicContact OE2-NE 3.52Å; E92-R100 IonicContact OE2-NH1 3.39Å; E92-R100 PolarHBondContact OE2-NH1 3.02Å; E92-L102 HydrophobicContact CB-CD1 3.56Å; E92-V111 WeakPolarHBondContact OE1-CG1 3.46Å; E92-W115 PolarHBondContact OE1-NE1 3.37Å; E92-F124 HydrophobicContact CB-CD1 4.29Å; E92-F124 HydrophobicContact CB-CE1 4.25Å |
| 93 | Y | 86.9 | Confident | 76.8 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.7 | 178.8 | 177.4 | -91.4 | 0 | 0 | 0 | 110.9 | T95 G98 E99 G122 R123 I125 I213 | Y93-T95 HydrophobicContact CE1-CG2 4.33Å; Y93-G98 WeakPolarHBondContact CA-O 3.44Å; Y93-E99 HydrophobicContact CD2-CB 4.16Å; Y93-G122 CarbonylContact O-C 3.59Å; Y93-G122 VanDerWaalsContact O-CA 3.29Å; Y93-G122 WeakPolarHBondContact O-CA 3.33Å; Y93-R123 PolarHBondContact N-O 3.45Å; Y93-R123 PolarHBondContact O-N 3.45Å; Y93-I125 HydrophobicContact CG-CD1 4.29Å; Y93-I213 HydrophobicContact CD1-CD1 3.65Å; Y93-I213 HydrophobicContact CD2-CD1 3.5Å; Y93-I213 VanDerWaalsContact CD2-CD1 3.5Å; Y93-I213 HydrophobicContact CE1-CD1 3.66Å; Y93-I213 HydrophobicContact CE2-CD1 3.5Å; Y93-I213 HydrophobicContact CG-CD1 3.56Å |
| 94 | H | 82.3 | Confident | 79 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.6 | 169.2 | -71.1 | -71.6 | 0 | 0 | 0 | 110 | E92 N96 N97 G98 W115 E121 G122 | E92-H94 IonicContact OE1-NE2 3.86Å; E92-H94 PolarHBondContact OE1-NE2 3.38Å; H94-N96 PolarHBondContact O-N 3.43Å; H94-N96 VanDerWaalsContact O-N 3.13Å; H94-N97 HydrophobicContact CB-CB 4.12Å; H94-G98 PolarHBondContact N-O 3.06Å; H94-G98 WeakPolarHBondContact O-CA 3.49Å; H94-G98 PolarHBondContact O-N 2.91Å; H94-W115 AromaticContact CE1-CD1 3.57Å; H94-W115 AromaticContact CE1-CE2 3.91Å; H94-W115 AromaticContact CE1-NE1 3.48Å; H94-W115 PolarHBondContact CE1-NE1 3.33Å; H94-W115 AromaticContact NE2-CD1 3.72Å; H94-W115 AromaticContact NE2-NE1 3.4Å; H94-W115 PolarHBondContact NE2-NE1 3.47Å; H94-E121 PolarHBondContact ND1-O 3.2Å; H94-G122 WeakPolarHBondContact CE1-CA 3.46Å; H94-G122 VanDerWaalsContact ND1-CA 3.32Å; H94-G122 WeakPolarHBondContact ND1-CA 3.29Å; H94-G122 PolarHBondContact ND1-N 3.37Å |
| 95 | T | 67.8 | Low | 80.9 | Confident | 86 Ų | 86 | 63.3 Ų | 63.3 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.4 | 175.5 | 51 | 0 | 0 | 0 | 0 | 113.7 | Y93 | Y93-T95 HydrophobicContact CE1-CG2 4.33Š|
| 96 | N | 66.1 | Low | 82.7 | Confident | 125 Ų | 125 | 61.1 Ų | 61.1 | 67% | 0.668 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -40.1 | -172.8 | -55.3 | 9.4 | 0 | 0 | 0 | 112 | H94 | H94-N96 PolarHBondContact O-N 3.43Å; H94-N96 VanDerWaalsContact O-N 3.13Å |
| 97 | N | 66 | Low | 84 | Confident | 111 Ų | 111 | 61 Ų | 61 | 59% | 0.594 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 0.3 | -176.2 | -67.7 | 26.9 | 0 | 0 | 0 | 113.5 | H94 Q120 | H94-N97 HydrophobicContact CB-CB 4.12Å; N97-Q120 PolarHBondContact ND2-NE2 3.41Å; N97-Q120 VanDerWaalsContact ND2-NE2 3.14Å; N97-Q120 PolarHBondContact OD1-NE2 3.35Å; N97-Q120 VanDerWaalsContact OD1-NE2 3.14Å; N97-Q120 PolarHBondContact OD1-OE1 2.9Å |
| 98 | G | 69.9 | Low | 84.8 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.5 | -145.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y93 H94 | Y93-G98 WeakPolarHBondContact CA-O 3.44Å; H94-G98 PolarHBondContact N-O 3.06Å; H94-G98 WeakPolarHBondContact O-CA 3.49Å; H94-G98 PolarHBondContact O-N 2.91Å |
| 99 | E | 81.9 | Confident | 85 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.8 | -172.9 | -169.9 | 178.8 | -172.7 | 0 | 0 | 112.5 | Y91 E92 Y93 R127 | Y91-E99 WeakPolarHBondContact CB-OE1 3.4Å; Y91-E99 HydrophobicContact CD1-CG 3.83Å; Y91-E99 HydrophobicContact CG-CG 4.29Å; E92-E99 WeakPolarHBondContact O-CA 3.33Å; Y93-E99 HydrophobicContact CD2-CB 4.16Å; E99-R127 VanDerWaalsContact CD-NH2 3.29Å; E99-R127 IonicContact OE1-CZ 3.22Å; E99-R127 IonicContact OE1-NE 3.61Å; E99-R127 PolarHBondContact OE1-NE 3.41Å; E99-R127 IonicContact OE1-NH1 2.66Å; E99-R127 PolarHBondContact OE1-NH1 2.9Å; E99-R127 IonicContact OE1-NH2 2.7Å; E99-R127 PolarHBondContact OE1-NH2 2.83Å; E99-R127 VanDerWaalsContact OE1-NH2 3.09Å; E99-R127 IonicContact OE2-CZ 3.87Å; E99-R127 IonicContact OE2-NH1 2.75Å; E99-R127 PolarHBondContact OE2-NH1 2.99Å; E99-R127 IonicContact OE2-NH2 2.73Å; E99-R127 PolarHBondContact OE2-NH2 2.81Å |
| 100 | R | 88.1 | Confident | 84.9 | Confident | 105 Ų | 105 | 53.1 Ų | 53.1 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130 | -177.7 | 171.7 | 178.5 | 176.9 | -80.7 | -13.7 | 110.2 | Y91 E92 E106 | Y91-R100 CarbonylContact C-O 3.07Å; Y91-R100 VanDerWaalsContact CA-O 3.23Å; Y91-R100 WeakPolarHBondContact CA-O 3.41Å; E92-R100 HydrophobicContact CB-CB 4.42Å; E92-R100 PolarHBondContact N-O 2.73Å; E92-R100 PolarHBondContact O-N 2.64Å; E92-R100 WeakPolarHBondContact OE2-CD 3.5Å; E92-R100 IonicContact OE2-CZ 2.59Å; E92-R100 IonicContact OE2-NE 3.52Å; E92-R100 IonicContact OE2-NH1 3.39Å; E92-R100 PolarHBondContact OE2-NH1 3.02Å; R100-E106 IonicContact CZ-OE1 3.4Å; R100-E106 IonicContact CZ-OE2 3.5Å; R100-E106 IonicContact NH1-OE1 3.47Å; R100-E106 IonicContact NH1-OE2 3.81Å; R100-E106 PolarHBondContact NH1-OE2 2.95Å; R100-E106 VanDerWaalsContact NH2-CD 3.25Å; R100-E106 IonicContact NH2-OE1 3.33Å; R100-E106 PolarHBondContact NH2-OE1 3.27Å; R100-E106 IonicContact NH2-OE2 2.67Å; R100-E106 PolarHBondContact NH2-OE2 3.2Å |
| 101 | R | 88.5 | Confident | 84.7 | Confident | 133 Ų | 133 | 54.1 Ų | 54.1 | 50% | 0.502 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.9 | 169.5 | -171.7 | -175.3 | 175.6 | 140.9 | 14.2 | 109.5 | Y91 E129 | Y91-R101 HydrophobicContact CD1-CB 3.88Å; Y91-R101 HydrophobicContact CD1-CG 4.43Å; Y91-R101 HydrophobicContact CE1-CB 3.55Å; Y91-R101 HydrophobicContact CE1-CG 3.99Å; Y91-R101 HydrophobicContact CE2-CG 4.38Å; R101-E129 VanDerWaalsContact CZ-CD 3.45Å; R101-E129 IonicContact CZ-OE1 2.79Å; R101-E129 IonicContact CZ-OE2 2.7Å; R101-E129 IonicContact NE-OE1 4Å; R101-E129 IonicContact NH1-OE1 2.84Å; R101-E129 PolarHBondContact NH1-OE1 3.01Å; R101-E129 IonicContact NH1-OE2 2.77Å; R101-E129 PolarHBondContact NH1-OE2 3.07Å; R101-E129 VanDerWaalsContact NH2-CD 3.35Å; R101-E129 IonicContact NH2-OE1 3.2Å; R101-E129 PolarHBondContact NH2-OE1 2.94Å; R101-E129 IonicContact NH2-OE2 2.7Å; R101-E129 PolarHBondContact NH2-OE2 3.2Å |
| 102 | L | 91.9 | Very high | 84.5 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 142.1 | 170 | -83.8 | 71.4 | 0 | 0 | 0 | 110.5 | A65 I90 E92 E106 P108 F124 | A65-L102 HydrophobicContact CB-CB 4.25Å; A65-L102 HydrophobicContact CB-CD2 4.43Å; I90-L102 HydrophobicContact CG2-CD1 4.21Å; I90-L102 HydrophobicContact CG2-CD2 4.26Å; I90-L102 PolarHBondContact O-N 2.83Å; E92-L102 HydrophobicContact CB-CD1 3.56Å; L102-E106 WeakPolarHBondContact CA-OE2 3.41Å; L102-P108 HydrophobicContact CD2-CB 4.21Å; L102-P108 HydrophobicContact CD2-CG 3.82Å; L102-F124 HydrophobicContact CD1-CD1 4.06Å; L102-F124 HydrophobicContact CD1-CE1 4.14Å; L102-F124 HydrophobicContact CD2-CD1 4.3Å; L102-F124 HydrophobicContact CD2-CE1 4.04Å |
| 103 | G | 85.5 | Confident | 84.2 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 144.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D105 E106 | G103-D105 PolarHBondContact O-N 3.39Å; G103-E106 PolarHBondContact N-OE2 3.15Å; G103-E106 WeakPolarHBondContact O-CB 3.22Å; G103-E106 PolarHBondContact O-N 3.35Å |
| 104 | A | 84.7 | Confident | 83.8 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 31% | 0.314 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R66 | R66-A104 HydrophobicContact CB-CB 4.25Å; R66-A104 WeakPolarHBondContact CB-O 3.41Å; R66-A104 VanDerWaalsContact CZ-CB 3.47Å; R66-A104 PolarHBondContact N-O 2.91Å |
| 105 | D | 88 | Confident | 83.6 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 3.7 | -177.2 | -57.3 | -69.8 | 0 | 0 | 0 | 112.9 | T64 R66 G103 | T64-D105 WeakPolarHBondContact CG2-O 3.31Å; R66-D105 IonicContact CZ-OD1 3.9Å; R66-D105 IonicContact CZ-OD2 2.81Å; R66-D105 IonicContact NH1-OD1 3.22Å; R66-D105 PolarHBondContact NH1-OD1 3.24Å; R66-D105 IonicContact NH1-OD2 3.3Å; R66-D105 PolarHBondContact NH1-OD2 2.77Å; G103-D105 PolarHBondContact O-N 3.39Å |
| 106 | E | 92.4 | Very high | 83.5 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | trans | -78 | 137.4 | 173.8 | -62.8 | -171 | 140.2 | 0 | 0 | 111.2 | T64 A65 R100 L102 G103 P108 | T64-E106 CarbonylContact C-O 3.6Å; T64-E106 WeakPolarHBondContact CA-O 3.31Å; A65-E106 PolarHBondContact N-O 3.06Å; R100-E106 IonicContact CZ-OE1 3.4Å; R100-E106 IonicContact CZ-OE2 3.5Å; R100-E106 IonicContact NH1-OE1 3.47Å; R100-E106 IonicContact NH1-OE2 3.81Å; R100-E106 PolarHBondContact NH1-OE2 2.95Å; R100-E106 VanDerWaalsContact NH2-CD 3.25Å; R100-E106 IonicContact NH2-OE1 3.33Å; R100-E106 PolarHBondContact NH2-OE1 3.27Å; R100-E106 IonicContact NH2-OE2 2.67Å; R100-E106 PolarHBondContact NH2-OE2 3.2Å; L102-E106 WeakPolarHBondContact CA-OE2 3.41Å; G103-E106 PolarHBondContact N-OE2 3.15Å; G103-E106 WeakPolarHBondContact O-CB 3.22Å; G103-E106 PolarHBondContact O-N 3.35Å; E106-P108 WeakPolarHBondContact O-CD 3.45Å | ||
| 107 | A | 91.8 | Very high | 83 | Confident | 13 Ų | 13 | 48 Ų | 48 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | trans | -92.7 | 114.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | N61 D63 L109 L110 V111 | N61-A107 WeakPolarHBondContact O-CB 3.23Å; D63-A107 WeakPolarHBondContact O-CA 3.44Å; A107-L109 PolarHBondContact O-N 3Å; A107-L109 VanDerWaalsContact O-N 3.1Å; A107-L110 HydrophobicContact CB-CB 4.47Å; A107-L110 HydrophobicContact CB-CD1 4.32Å; A107-L110 PolarHBondContact O-N 3.29Å; A107-V111 PolarHBondContact O-N 2.77Å | ||
| 108 | P | 93.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -26.2 | -174.8 | -26 | 35.9 | 0 | 0 | 0 | 114.4 | F43 I59 D63 L68 L102 E106 Q112 F124 | F43-P108 HydrophobicContact CE1-CB 4.12Å; F43-P108 HydrophobicContact CE1-CG 4.2Å; F43-P108 HydrophobicContact CZ-CB 4.01Å; F43-P108 HydrophobicContact CZ-CG 4.19Å; I59-P108 HydrophobicContact CD1-CB 4.33Å; D63-P108 VanDerWaalsContact O-CD 3.27Å; D63-P108 WeakPolarHBondContact O-CD 3.32Å; L68-P108 HydrophobicContact CD1-CG 3.71Å; L102-P108 HydrophobicContact CD2-CB 4.21Å; L102-P108 HydrophobicContact CD2-CG 3.82Å; E106-P108 WeakPolarHBondContact O-CD 3.45Å; P108-Q112 VanDerWaalsContact O-CB 3.24Å; P108-Q112 WeakPolarHBondContact O-CB 3.27Å; P108-Q112 PolarHBondContact O-N 3Å; P108-F124 HydrophobicContact CB-CD2 4.37Å; P108-F124 HydrophobicContact CB-CE1 4.2Å; P108-F124 HydrophobicContact CB-CE2 3.93Å; P108-F124 HydrophobicContact CB-CZ 3.84Å; P108-F124 VanDerWaalsContact O-CZ 3.25Å; P108-F124 WeakPolarHBondContact O-CZ 3.23Å |
| 109 | L | 92.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 176.1 | -171.5 | 64.9 | 0 | 0 | 0 | 112.6 | I28 F37 V41 I59 N61 A107 L113 | I28-L109 HydrophobicContact CD1-CD1 4.11Å; F37-L109 HydrophobicContact CD2-CD2 3.71Å; F37-L109 HydrophobicContact CD2-CG 4.39Å; F37-L109 HydrophobicContact CE2-CD2 3.75Å; F37-L109 HydrophobicContact CE2-CG 3.95Å; F37-L109 WeakPolarHBondContact O-CD2 3.3Å; V41-L109 HydrophobicContact CG2-CB 4.46Å; V41-L109 HydrophobicContact CG2-CD1 3.73Å; I59-L109 HydrophobicContact CD1-CB 4Å; I59-L109 HydrophobicContact CG1-CB 4.15Å; N61-L109 HydrophobicContact CB-CD2 4.25Å; A107-L109 PolarHBondContact O-N 3Å; A107-L109 VanDerWaalsContact O-N 3.1Å; L109-L113 PolarHBondContact O-N 3.23Å; L109-L113 VanDerWaalsContact O-N 3.09Å |
| 110 | L | 88.3 | Confident | 80.8 | Confident | 67 Ų | 67 | 53 Ų | 53 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.8 | -41.2 | 175.1 | -89.9 | 161.7 | 0 | 0 | 0 | 111.5 | F37 N61 A107 L113 N114 | F37-L110 HydrophobicContact CE1-CD2 4.49Å; F37-L110 HydrophobicContact CZ-CD2 4Å; F37-L110 HydrophobicContact CZ-CG 4.23Å; N61-L110 HydrophobicContact CB-CD1 4.21Å; N61-L110 HydrophobicContact CB-CG 4.14Å; A107-L110 HydrophobicContact CB-CB 4.47Å; A107-L110 HydrophobicContact CB-CD1 4.32Å; A107-L110 PolarHBondContact O-N 3.29Å; L110-L113 WeakPolarHBondContact O-CB 3.33Å; L110-L113 PolarHBondContact O-N 3.31Å; L110-N114 PolarHBondContact O-N 3Å |
| 111 | V | 88.9 | Confident | 79.7 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.8 | -51.1 | 172.5 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | E92 A107 L113 N114 F124 | E92-V111 WeakPolarHBondContact OE1-CG1 3.46Å; A107-V111 PolarHBondContact O-N 2.77Å; V111-L113 VanDerWaalsContact C-N 3.27Å; V111-L113 PolarHBondContact O-N 3.38Å; V111-N114 PolarHBondContact O-N 2.85Å; V111-N114 VanDerWaalsContact O-N 3.08Å; V111-F124 HydrophobicContact CB-CE1 4.35Å; V111-F124 HydrophobicContact CB-CZ 4.11Å; V111-F124 HydrophobicContact CG1-CE1 3.89Å; V111-F124 HydrophobicContact CG1-CZ 3.96Å |
| 112 | Q | 89 | Confident | 79.3 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -31.4 | 177.1 | -177.8 | 174.4 | -65.7 | 0 | 0 | 113.6 | W18 P108 N114 W115 F124 | W18-Q112 HydrophobicContact CH2-CG 3.4Å; W18-Q112 HydrophobicContact CZ2-CG 4.06Å; W18-Q112 HydrophobicContact CZ3-CG 4.08Å; W18-Q112 VanDerWaalsContact CZ3-O 3.26Å; W18-Q112 WeakPolarHBondContact CZ3-O 3.4Å; P108-Q112 VanDerWaalsContact O-CB 3.24Å; P108-Q112 WeakPolarHBondContact O-CB 3.27Å; P108-Q112 PolarHBondContact O-N 3Å; Q112-N114 VanDerWaalsContact C-N 3.3Å; Q112-W115 HydrophobicContact CB-CD2 4.46Å; Q112-W115 HydrophobicContact CB-CE3 4.36Å; Q112-W115 HydrophobicContact CB-CH2 4.43Å; Q112-W115 HydrophobicContact CB-CZ3 4.34Å; Q112-W115 HydrophobicContact CG-CD2 4.33Å; Q112-W115 HydrophobicContact CG-CE3 3.78Å; Q112-W115 HydrophobicContact CG-CH2 4.27Å; Q112-W115 HydrophobicContact CG-CZ3 3.74Å; Q112-W115 WeakPolarHBondContact O-CB 3.47Å; Q112-F124 HydrophobicContact CB-CE2 3.95Å; Q112-F124 HydrophobicContact CB-CZ 4.11Å |
| 113 | L | 85 | Confident | 79 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.7 | -29.1 | 177.6 | -147.1 | 86.5 | 0 | 0 | 0 | 112.5 | L11 R14 I15 I28 F37 L109 L110 V111 T116 | L11-L113 HydrophobicContact CD1-CD2 3.63Å; R14-L113 HydrophobicContact CB-CD2 3.95Å; R14-L113 HydrophobicContact CB-CG 4.41Å; I15-L113 HydrophobicContact CG1-CD1 4.1Å; I15-L113 HydrophobicContact CG1-CD2 4.13Å; I28-L113 HydrophobicContact CD1-CD1 3.39Å; F37-L113 HydrophobicContact CE2-CD1 4.41Å; F37-L113 HydrophobicContact CZ-CD2 4.41Å; L109-L113 PolarHBondContact O-N 3.23Å; L109-L113 VanDerWaalsContact O-N 3.09Å; L110-L113 WeakPolarHBondContact O-CB 3.33Å; L110-L113 PolarHBondContact O-N 3.31Å; V111-L113 VanDerWaalsContact C-N 3.27Å; V111-L113 PolarHBondContact O-N 3.38Å; L113-T116 PolarHBondContact O-OG1 3.17Å |
| 114 | N | 78.9 | Confident | 79.3 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -80 | -20.9 | -178.9 | -69.8 | -25.4 | 0 | 0 | 0 | 112.9 | R14 L110 V111 Q112 T116 A117 | R14-N114 PolarHBondContact NH1-OD1 3.34Å; L110-N114 PolarHBondContact O-N 3Å; V111-N114 PolarHBondContact O-N 2.85Å; V111-N114 VanDerWaalsContact O-N 3.08Å; Q112-N114 VanDerWaalsContact C-N 3.3Å; N114-T116 PolarHBondContact O-N 3.38Å; N114-T116 VanDerWaalsContact O-N 3.1Å; N114-A117 WeakPolarHBondContact O-CB 3.32Å; N114-A117 PolarHBondContact O-N 3.19Å |
| 115 | W | 78.4 | Confident | 79.6 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 9% | 0.087 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -50.6 | -35.5 | 173.1 | -67.6 | -6.6 | 0 | 0 | 0 | 113.5 | E92 H94 Q112 A117 E118 N119 Q120 G122 F124 | E92-W115 PolarHBondContact OE1-NE1 3.37Å; H94-W115 AromaticContact CE1-CD1 3.57Å; H94-W115 AromaticContact CE1-CE2 3.91Å; H94-W115 AromaticContact CE1-NE1 3.48Å; H94-W115 PolarHBondContact CE1-NE1 3.33Å; H94-W115 AromaticContact NE2-CD1 3.72Å; H94-W115 AromaticContact NE2-NE1 3.4Å; H94-W115 PolarHBondContact NE2-NE1 3.47Å; Q112-W115 HydrophobicContact CB-CD2 4.46Å; Q112-W115 HydrophobicContact CB-CE3 4.36Å; Q112-W115 HydrophobicContact CB-CH2 4.43Å; Q112-W115 HydrophobicContact CB-CZ3 4.34Å; Q112-W115 HydrophobicContact CG-CD2 4.33Å; Q112-W115 HydrophobicContact CG-CE3 3.78Å; Q112-W115 HydrophobicContact CG-CH2 4.27Å; Q112-W115 HydrophobicContact CG-CZ3 3.74Å; Q112-W115 WeakPolarHBondContact O-CB 3.47Å; W115-A117 VanDerWaalsContact C-N 3.32Å; W115-A117 PolarHBondContact O-N 2.89Å; W115-E118 PolarHBondContact O-N 3.17Å; W115-N119 PolarHBondContact O-N 3.35Å; W115-Q120 WeakPolarHBondContact CB-O 3.49Å; W115-Q120 PolarHBondContact O-N 2.97Å; W115-G122 WeakPolarHBondContact CH2-O 3.48Å; W115-G122 VanDerWaalsContact CZ3-C 3.47Å; W115-G122 WeakPolarHBondContact CZ3-O 3.32Å; W115-F124 HydrophobicContact CH2-CD2 4.03Å; W115-F124 HydrophobicContact CH2-CE1 4.44Å; W115-F124 AromaticContact CH2-CE2 3.66Å; W115-F124 HydrophobicContact CH2-CE2 3.66Å; W115-F124 AromaticContact CH2-CZ 3.87Å; W115-F124 HydrophobicContact CH2-CZ 3.87Å; W115-F124 HydrophobicContact CZ2-CD1 4.44Å; W115-F124 HydrophobicContact CZ2-CD2 4.39Å; W115-F124 AromaticContact CZ2-CE1 3.85Å; W115-F124 HydrophobicContact CZ2-CE1 3.85Å; W115-F124 AromaticContact CZ2-CE2 3.81Å; W115-F124 HydrophobicContact CZ2-CE2 3.81Å; W115-F124 AromaticContact CZ2-CZ 3.49Å; W115-F124 HydrophobicContact CZ2-CZ 3.49Å; W115-F124 VanDerWaalsContact CZ2-CZ 3.49Å |
| 116 | T | 64.1 | Low | 79.8 | Confident | 57 Ų | 57 | 37.1 Ų | 37.1 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.3 | -19.1 | 176.8 | 29.3 | 0 | 0 | 0 | 0 | 114.8 | W18 L113 N114 E118 | W18-T116 HydrophobicContact CE3-CG2 3.79Å; W18-T116 HydrophobicContact CZ3-CG2 4.18Å; L113-T116 PolarHBondContact O-OG1 3.17Å; N114-T116 PolarHBondContact O-N 3.38Å; N114-T116 VanDerWaalsContact O-N 3.1Å; T116-E118 VanDerWaalsContact C-N 3.34Å |
| 117 | A | 56.5 | Low | 79.4 | Confident | 59 Ų | 59 | 35.5 Ų | 35.5 | 49% | 0.488 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -74.6 | -25.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N114 W115 | N114-A117 WeakPolarHBondContact O-CB 3.32Å; N114-A117 PolarHBondContact O-N 3.19Å; W115-A117 VanDerWaalsContact C-N 3.32Å; W115-A117 PolarHBondContact O-N 2.89Å |
| 118 | E | 52.4 | Low | 79.1 | Confident | 124 Ų | 124 | 35.9 Ų | 35.9 | 58% | 0.579 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -109.6 | -0.8 | -177.4 | -64.6 | -175.8 | -159.9 | 0 | 0 | 114 | W115 T116 Q120 | W115-E118 PolarHBondContact O-N 3.17Å; T116-E118 VanDerWaalsContact C-N 3.34Å; E118-Q120 HydrophobicContact CB-CG 3.83Å; E118-Q120 PolarHBondContact O-N 3.49Å; E118-Q120 PolarHBondContact OE2-NE2 2.81Å |
| 119 | N | 58.5 | Low | 78.6 | Confident | 150 Ų | 150 | 39 Ų | 39 | 80% | 0.802 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 17.9 | -170.5 | -73.9 | -71.7 | 0 | 0 | 0 | 115.4 | W115 | W115-N119 PolarHBondContact O-N 3.35Š|
| 120 | Q | 60.5 | Low | 77.7 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | trans | -83.1 | 130.2 | 177.5 | -53.2 | -140.3 | 39.4 | 0 | 0 | 110.8 | N97 W115 E118 | N97-Q120 PolarHBondContact ND2-NE2 3.41Å; N97-Q120 VanDerWaalsContact ND2-NE2 3.14Å; N97-Q120 PolarHBondContact OD1-NE2 3.35Å; N97-Q120 VanDerWaalsContact OD1-NE2 3.14Å; N97-Q120 PolarHBondContact OD1-OE1 2.9Å; W115-Q120 WeakPolarHBondContact CB-O 3.49Å; W115-Q120 PolarHBondContact O-N 2.97Å; E118-Q120 HydrophobicContact CB-CG 3.83Å; E118-Q120 PolarHBondContact O-N 3.49Å; E118-Q120 PolarHBondContact OE2-NE2 2.81Å | ||
| 121 | E | 65.5 | Low | 76.6 | Confident | 76 Ų | 76 | 42.7 Ų | 42.7 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | trans | -84.2 | 125.9 | 163.4 | -77.1 | -168.1 | 172.9 | 0 | 0 | 108.9 | H94 T217 R232 | H94-E121 PolarHBondContact ND1-O 3.2Å; E121-T217 HydrophobicContact CB-CG2 4.35Å; E121-T217 HydrophobicContact CG-CG2 4.37Å; E121-T217 WeakPolarHBondContact OE2-CB 3.33Å; E121-T217 VanDerWaalsContact OE2-CG2 3.26Å; E121-T217 WeakPolarHBondContact OE2-CG2 3.38Å; E121-T217 PolarHBondContact OE2-OG1 2.95Å; E121-T217 VanDerWaalsContact OE2-OG1 3.1Å; E121-R232 IonicContact OE1-NH1 2.99Å; E121-R232 PolarHBondContact OE1-NH1 3.33Å | ||
| 122 | G | 78.7 | Confident | 74.6 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 165.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y93 H94 W115 | Y93-G122 CarbonylContact O-C 3.59Å; Y93-G122 VanDerWaalsContact O-CA 3.29Å; Y93-G122 WeakPolarHBondContact O-CA 3.33Å; H94-G122 WeakPolarHBondContact CE1-CA 3.46Å; H94-G122 VanDerWaalsContact ND1-CA 3.32Å; H94-G122 WeakPolarHBondContact ND1-CA 3.29Å; H94-G122 PolarHBondContact ND1-N 3.37Å; W115-G122 WeakPolarHBondContact CH2-O 3.48Å; W115-G122 VanDerWaalsContact CZ3-C 3.47Å; W115-G122 WeakPolarHBondContact CZ3-O 3.32Å |
| 123 | R | 85.5 | Confident | 72.7 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 6% | 0.057 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 130.1 | 177.2 | -57.9 | 178 | -172.8 | 150.7 | 6.1 | 109.3 | F44 Y93 I213 P214 D215 T217 | F44-R123 HydrophobicContact CD2-CB 4.2Å; F44-R123 HydrophobicContact CE2-CB 4.04Å; F44-R123 HydrophobicContact CE2-CG 4.24Å; Y93-R123 PolarHBondContact N-O 3.45Å; Y93-R123 PolarHBondContact O-N 3.45Å; R123-I213 PolarHBondContact NH1-O 2.87Å; R123-P214 PolarHBondContact NH1-O 3.16Å; R123-D215 IonicContact CZ-OD1 2.77Å; R123-D215 IonicContact NH1-OD1 3.98Å; R123-D215 PolarHBondContact NH1-OD1 3.18Å; R123-D215 IonicContact NH2-OD1 2.79Å; R123-D215 PolarHBondContact NH2-OD1 2.89Å; R123-T217 PolarHBondContact NH2-OG1 3.48Å |
| 124 | F | 93.5 | Very high | 70.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.2 | 173.1 | -62.9 | -64.1 | 0 | 0 | 0 | 111.5 | V41 F43 F44 I90 Y91 E92 L102 P108 V111 Q112 W115 | V41-F124 HydrophobicContact CG1-CD2 3.49Å; V41-F124 VanDerWaalsContact CG1-CD2 3.49Å; V41-F124 HydrophobicContact CG1-CE2 3.69Å; F43-F124 CarbonylContact C-O 3.45Å; F43-F124 HydrophobicContact CD1-CB 3.51Å; F43-F124 HydrophobicContact CD1-CD2 4.41Å; F43-F124 HydrophobicContact CD1-CG 4.2Å; F43-F124 HydrophobicContact CE1-CB 3.88Å; F43-F124 HydrophobicContact CE1-CD2 4.12Å; F43-F124 HydrophobicContact CE1-CG 4.08Å; F43-F124 HydrophobicContact CG-CB 4.39Å; F44-F124 WeakPolarHBondContact CD2-O 3.28Å; F44-F124 PolarHBondContact N-O 3.44Å; I90-F124 HydrophobicContact CG2-CB 4.12Å; I90-F124 HydrophobicContact CG2-CD1 4.27Å; Y91-F124 CarbonylContact O-C 3.35Å; Y91-F124 WeakPolarHBondContact O-CA 3.47Å; E92-F124 HydrophobicContact CB-CD1 4.29Å; E92-F124 HydrophobicContact CB-CE1 4.25Å; L102-F124 HydrophobicContact CD1-CD1 4.06Å; L102-F124 HydrophobicContact CD1-CE1 4.14Å; L102-F124 HydrophobicContact CD2-CD1 4.3Å; L102-F124 HydrophobicContact CD2-CE1 4.04Å; P108-F124 HydrophobicContact CB-CD2 4.37Å; P108-F124 HydrophobicContact CB-CE1 4.2Å; P108-F124 HydrophobicContact CB-CE2 3.93Å; P108-F124 HydrophobicContact CB-CZ 3.84Å; P108-F124 VanDerWaalsContact O-CZ 3.25Å; P108-F124 WeakPolarHBondContact O-CZ 3.23Å; V111-F124 HydrophobicContact CB-CE1 4.35Å; V111-F124 HydrophobicContact CB-CZ 4.11Å; V111-F124 HydrophobicContact CG1-CE1 3.89Å; V111-F124 HydrophobicContact CG1-CZ 3.96Å; Q112-F124 HydrophobicContact CB-CE2 3.95Å; Q112-F124 HydrophobicContact CB-CZ 4.11Å; W115-F124 HydrophobicContact CH2-CD2 4.03Å; W115-F124 HydrophobicContact CH2-CE1 4.44Å; W115-F124 AromaticContact CH2-CE2 3.66Å; W115-F124 HydrophobicContact CH2-CE2 3.66Å; W115-F124 AromaticContact CH2-CZ 3.87Å; W115-F124 HydrophobicContact CH2-CZ 3.87Å; W115-F124 HydrophobicContact CZ2-CD1 4.44Å; W115-F124 HydrophobicContact CZ2-CD2 4.39Å; W115-F124 AromaticContact CZ2-CE1 3.85Å; W115-F124 HydrophobicContact CZ2-CE1 3.85Å; W115-F124 AromaticContact CZ2-CE2 3.81Å; W115-F124 HydrophobicContact CZ2-CE2 3.81Å; W115-F124 AromaticContact CZ2-CZ 3.49Å; W115-F124 HydrophobicContact CZ2-CZ 3.49Å; W115-F124 VanDerWaalsContact CZ2-CZ 3.49Å |
| 125 | I | 91 | Very high | 68.1 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 119.1 | -176.5 | -50.6 | 177.2 | 0 | 0 | 0 | 109.4 | F44 R46 Y52 Y91 Y93 R127 I213 | F44-I125 CarbonylContact O-C 3.49Å; F44-I125 WeakPolarHBondContact O-CA 3.44Å; R46-I125 HydrophobicContact CB-CG2 4.29Å; Y52-I125 HydrophobicContact CD1-CG2 4.46Å; Y52-I125 HydrophobicContact CE1-CD1 4.16Å; Y52-I125 HydrophobicContact CE1-CG2 3.93Å; Y91-I125 PolarHBondContact N-O 3.42Å; Y91-I125 PolarHBondContact O-N 2.93Å; Y93-I125 HydrophobicContact CG-CD1 4.29Å; I125-R127 HydrophobicContact CG2-CG 4.02Å; I125-I213 HydrophobicContact CD1-CD1 3.75Å; I125-I213 HydrophobicContact CD1-CG1 4.2Å; I125-I213 HydrophobicContact CD1-CG2 4.42Å |
| 126 | L | 91.8 | Very high | 65.6 | Low | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130.4 | 165 | -169 | 81.7 | 0 | 0 | 0 | 109 | F44 F45 R46 V69 L72 V73 F76 Y88 A89 I90 | F44-L126 PolarHBondContact O-N 2.83Å; F45-L126 HydrophobicContact CB-CB 4.48Å; F45-L126 HydrophobicContact CD2-CB 4.16Å; F45-L126 HydrophobicContact CD2-CD2 3.93Å; F45-L126 HydrophobicContact CD2-CG 4.28Å; F45-L126 WeakPolarHBondContact CD2-O 3.42Å; R46-L126 PolarHBondContact N-O 3.27Å; V69-L126 HydrophobicContact CG2-CD1 4.21Å; L72-L126 HydrophobicContact CB-CD1 4.18Å; L72-L126 HydrophobicContact CB-CD2 4.03Å; L72-L126 HydrophobicContact CD1-CD1 4.31Å; V73-L126 HydrophobicContact CG2-CD2 4.07Å; F76-L126 HydrophobicContact CD2-CD2 4.11Å; Y88-L126 HydrophobicContact CD1-CD2 4.08Å; Y88-L126 HydrophobicContact CD1-CG 4.23Å; A89-L126 WeakPolarHBondContact O-CA 3.43Å; I90-L126 HydrophobicContact CG1-CD1 4.01Å |
| 127 | R | 84.6 | Confident | 63.8 | Low | 26 Ų | 26 | 70.3 Ų | 70.3 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.2 | 172.3 | -71 | -172.2 | 176.2 | 163.7 | 9.6 | 111.1 | R46 Y88 A89 Y91 E99 I125 Q133 | R46-R127 HydrophobicContact CB-CG 4.26Å; Y88-R127 VanDerWaalsContact CA-O 3.26Å; Y88-R127 WeakPolarHBondContact CA-O 3.41Å; A89-R127 PolarHBondContact N-O 2.65Å; A89-R127 PolarHBondContact O-N 3.11Å; Y91-R127 HydrophobicContact CD2-CB 4.39Å; Y91-R127 HydrophobicContact CE2-CB 4.37Å; E99-R127 VanDerWaalsContact CD-NH2 3.29Å; E99-R127 IonicContact OE1-CZ 3.22Å; E99-R127 IonicContact OE1-NE 3.61Å; E99-R127 PolarHBondContact OE1-NE 3.41Å; E99-R127 IonicContact OE1-NH1 2.66Å; E99-R127 PolarHBondContact OE1-NH1 2.9Å; E99-R127 IonicContact OE1-NH2 2.7Å; E99-R127 PolarHBondContact OE1-NH2 2.83Å; E99-R127 VanDerWaalsContact OE1-NH2 3.09Å; E99-R127 IonicContact OE2-CZ 3.87Å; E99-R127 IonicContact OE2-NH1 2.75Å; E99-R127 PolarHBondContact OE2-NH1 2.99Å; E99-R127 IonicContact OE2-NH2 2.73Å; E99-R127 PolarHBondContact OE2-NH2 2.81Å; I125-R127 HydrophobicContact CG2-CG 4.02Å; R127-Q133 VanDerWaalsContact NH1-NE2 3.15Å |
| 128 | D | 85.5 | Confident | 62.5 | Low | 22 Ų | 22 | 73.7 Ų | 73.7 | 12% | 0.118 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 113.7 | 168.3 | -173.6 | -3.3 | 0 | 0 | 0 | 109.6 | G86 R87 Y88 S130 K131 | G86-D128 VanDerWaalsContact CA-OD1 3.32Å; G86-D128 WeakPolarHBondContact CA-OD1 3.32Å; R87-D128 PolarHBondContact N-OD1 3.42Å; Y88-D128 HydrophobicContact CD1-CB 3.96Å; Y88-D128 HydrophobicContact CE1-CB 3.67Å; D128-S130 VanDerWaalsContact C-N 3.26Å; D128-S130 PolarHBondContact O-N 3.25Å; D128-S130 VanDerWaalsContact OD1-CB 3.28Å; D128-S130 WeakPolarHBondContact OD1-CB 3.19Å; D128-S130 PolarHBondContact OD1-N 3.1Å; D128-S130 PolarHBondContact OD1-OG 2.98Å; D128-S130 PolarHBondContact OD2-OG 2.9Å; D128-S130 VanDerWaalsContact OD2-OG 3.13Å; D128-K131 VanDerWaalsContact OD2-CE 3.25Å; D128-K131 WeakPolarHBondContact OD2-CE 3.47Å; D128-K131 IonicContact OD2-NZ 2.72Å |
| 129 | E | 82.6 | Confident | 61.4 | Low | 66 Ų | 66 | 74.7 Ų | 74.7 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -3.9 | 178.9 | -51.1 | -169.8 | 143.5 | 0 | 0 | 113 | R87 A89 Y91 R101 K131 | R87-E129 HydrophobicContact CB-CB 4.37Å; R87-E129 WeakPolarHBondContact O-CA 3.48Å; R87-E129 VanDerWaalsContact O-CB 3.24Å; R87-E129 WeakPolarHBondContact O-CB 3.46Å; R87-E129 WeakPolarHBondContact O-CG 3.43Å; R87-E129 PolarHBondContact O-N 2.97Å; A89-E129 HydrophobicContact CB-CG 4.07Å; A89-E129 VanDerWaalsContact CB-OE1 3.26Å; A89-E129 WeakPolarHBondContact CB-OE1 3.49Å; Y91-E129 PolarHBondContact OH-OE1 3.19Å; R101-E129 VanDerWaalsContact CZ-CD 3.45Å; R101-E129 IonicContact CZ-OE1 2.79Å; R101-E129 IonicContact CZ-OE2 2.7Å; R101-E129 IonicContact NE-OE1 4Å; R101-E129 IonicContact NH1-OE1 2.84Å; R101-E129 PolarHBondContact NH1-OE1 3.01Å; R101-E129 IonicContact NH1-OE2 2.77Å; R101-E129 PolarHBondContact NH1-OE2 3.07Å; R101-E129 VanDerWaalsContact NH2-CD 3.35Å; R101-E129 IonicContact NH2-OE1 3.2Å; R101-E129 PolarHBondContact NH2-OE1 2.94Å; R101-E129 IonicContact NH2-OE2 2.7Å; R101-E129 PolarHBondContact NH2-OE2 3.2Å; E129-K131 VanDerWaalsContact C-N 3.31Å |
| 130 | S | 72.8 | Confident | 60 | Low | 66 Ų | 66 | 72.8 Ų | 72.8 | 46% | 0.462 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.7 | 176.2 | 73.1 | 0 | 0 | 0 | 0 | 113.7 | D128 | D128-S130 VanDerWaalsContact C-N 3.26Å; D128-S130 PolarHBondContact O-N 3.25Å; D128-S130 VanDerWaalsContact OD1-CB 3.28Å; D128-S130 WeakPolarHBondContact OD1-CB 3.19Å; D128-S130 PolarHBondContact OD1-N 3.1Å; D128-S130 PolarHBondContact OD1-OG 2.98Å; D128-S130 PolarHBondContact OD2-OG 2.9Å; D128-S130 VanDerWaalsContact OD2-OG 3.13Å |
| 131 | K | 65.5 | Low | 58.4 | Low | 77 Ų | 77 | 76 Ų | 76 | 34% | 0.335 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -105.3 | 125.8 | -178 | -61 | -178.3 | -171.5 | 176.6 | 0 | 110.7 | D48 D128 E129 Q133 | D48-K131 IonicContact OD1-NZ 3.94Å; D48-K131 PolarHBondContact OD1-NZ 2.8Å; D48-K131 IonicContact OD2-NZ 3.84Å; D48-K131 PolarHBondContact OD2-NZ 3.43Å; D128-K131 VanDerWaalsContact OD2-CE 3.25Å; D128-K131 WeakPolarHBondContact OD2-CE 3.47Å; D128-K131 IonicContact OD2-NZ 2.72Å; E129-K131 VanDerWaalsContact C-N 3.31Å; K131-Q133 PolarHBondContact O-N 2.64Å |
| 132 | P | 45.7 | Very low | 56.5 | Low | 127 Ų | 127 | 79.7 Ų | 79.7 | 83% | 0.825 | 43% | 0.434 | S | S | * | . | trans | -69.6 | 127.7 | 179 | 28.3 | -33.7 | 0 | 0 | 0 | 110.9 | ||||
| 133 | Q | 49 | Very low | 53.9 | Low | 93 Ų | 93 | 87.4 Ų | 87.4 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | trans | -74.5 | 126.4 | 178.2 | -68.4 | -170.9 | -41.2 | 0 | 0 | 111.5 | R127 K131 I135 | R127-Q133 VanDerWaalsContact NH1-NE2 3.15Å; K131-Q133 PolarHBondContact O-N 2.64Å; Q133-I135 PolarHBondContact O-N 2.86Å | ||
| 134 | T | 30.9 | Very low | 51 | Low | 147 Ų | 147 | 94.4 Ų | 94.4 | 90% | 0.902 | 51% | 0.507 | S | S | * | . | trans | -81.7 | 63.8 | 163.7 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 135 | I | 36.3 | Very low | 47.7 | Very low | 83 Ų | 83 | 98.1 Ų | 98.1 | 43% | 0.426 | 55% | 0.545 | S | S | . | . | trans | -132.5 | 117.7 | 165.3 | -61.7 | 179.4 | 0 | 0 | 0 | 107.2 | Q133 R137 | Q133-I135 PolarHBondContact O-N 2.86Å; I135-R137 PolarHBondContact O-N 3.41Å; I135-R137 VanDerWaalsContact O-N 3.1Å | ||
| 136 | T | 26.7 | Very low | 44.4 | Very low | 144 Ų | 144 | 104.1 Ų | 104.1 | 88% | 0.883 | 59% | 0.587 | S | S | * | * | trans | -65.7 | 104.7 | 170.3 | 29.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 137 | R | 27.4 | Very low | 41.1 | Very low | 167 Ų | 167 | 108.5 Ų | 108.5 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 136.7 | 161.1 | -74 | -178 | 169.3 | -176.7 | -4.8 | 109.5 | I135 | I135-R137 PolarHBondContact O-N 3.41Å; I135-R137 VanDerWaalsContact O-N 3.1Å |
| 138 | P | 29 | Very low | 38.2 | Very low | 130 Ų | 130 | 113.9 Ų | 113.9 | 84% | 0.844 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 127.5 | 149.2 | 31.1 | -29.2 | 0 | 0 | 0 | 108.4 | ||
| 139 | D | 28.5 | Very low | 35.3 | Very low | 145 Ų | 145 | 118.1 Ų | 118.1 | 78% | 0.775 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 144.2 | -178.1 | -82.7 | -48.8 | 0 | 0 | 0 | 113.2 | ||
| 140 | S | 28.8 | Very low | 32.7 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | -174.3 | 130.8 | 116.5 | 33.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 141 | T | 26.6 | Very low | 30.3 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | trans | 8.4 | 137.4 | 152.6 | 47 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 142 | Y | 27.1 | Very low | 28.4 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 60% | 0.6 | 73% | 0.73 | S | S | * | * | -153.4 | 163.6 | 59.9 | -97.7 | -86.3 | 0 | 0 | 0 | 115.2 | |||||
| 143 | Q | 24.2 | Very low | 27.4 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -101.1 | 163.4 | 166.9 | -76.7 | -174.1 | -35.2 | 0 | 0 | 112.8 | ||||
| 144 | N | 24.2 | Very low | 26.3 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | 91.1 | 129.5 | 162.7 | -56.7 | -23.4 | 0 | 0 | 0 | 118.1 | ||||
| 145 | G | 23.1 | Very low | 26 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 149.1 | 126.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 146 | S | 21.5 | Very low | 25.7 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 88% | 0.881 | 73% | 0.733 | S | S | * | * | trans | -66.3 | 164.3 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 147 | A | 22.7 | Very low | 25.6 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -58.9 | 153.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 148 | T | 24.6 | Very low | 25.6 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | -164.6 | 150.8 | 122.6 | -74.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 149 | I | 23.8 | Very low | 25.7 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 57% | 0.569 | 72% | 0.722 | S | S | * | * | trans | -60.9 | 144.1 | 175.8 | -64.5 | 153.6 | 0 | 0 | 0 | 111.9 | ||||
| 150 | I | 28.2 | Very low | 26 | Very low | 169 Ų | 169 | 119.5 Ų | 119.5 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | trans | -159.5 | 140.5 | 134.8 | -99.3 | 147.1 | 0 | 0 | 0 | 109.2 | ||||
| 151 | T | 23.5 | Very low | 26 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 56% | 0.564 | 71% | 0.711 | S | S | * | * | trans | -112.9 | 176.9 | -175.6 | 45.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 152 | S | 24.8 | Very low | 26.2 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | trans | 84.2 | 106.7 | 163.2 | 80.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 153 | T | 24.8 | Very low | 26.4 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | 79.8 | 138 | 88.9 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 154 | S | 25.1 | Very low | 26.8 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | cis | -155.1 | -159 | -1.1 | 52.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 155 | T | 24.7 | Very low | 27.1 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 61% | 0.613 | 68% | 0.675 | S | S | * | * | cis | -146.4 | -129.2 | 15.4 | -35.9 | 0 | 0 | 0 | 0 | 111.8 | I246 | T155-I246 HydrophobicContact CG2-CD1 4.4Š| ||
| 156 | T | 29.7 | Very low | 27.5 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 47% | 0.466 | 67% | 0.665 | S | S | . | * | trans | -147 | 177.5 | -160.4 | 43.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 157 | H | 25.2 | Very low | 27.9 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | trans | 90.6 | 136.9 | 166.9 | -50.6 | -81.5 | 0 | 0 | 0 | 118.6 | T247 | H157-T247 WeakPolarHBondContact CE1-CG2 3.42Å; H157-T247 PolarHBondContact CE1-OG1 2.93Å | ||
| 158 | G | 28.3 | Very low | 28.2 | Very low | 66 Ų | 66 | 118.4 Ų | 118.4 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | cis | 164.1 | 144.3 | -17.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 159 | L | 30.2 | Very low | 28.3 | Very low | 170 Ų | 170 | 115.9 Ų | 115.9 | 89% | 0.89 | 62% | 0.624 | S | S | * | * | trans | 71.8 | 158 | 159.1 | -55.3 | 165.2 | 0 | 0 | 0 | 119.9 | ||||
| 160 | K | 35 | Very low | 28.5 | Very low | 139 Ų | 139 | 115.5 Ų | 115.5 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | cis | -179.6 | 140.8 | -32 | -165 | -179 | -168.7 | 179.4 | 0 | 112.4 | ||||
| 161 | Q | 29.3 | Very low | 28.5 | Very low | 151 Ų | 151 | 112.5 Ų | 112.5 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | trans | 136.1 | 125.1 | 138.5 | -73.8 | -168.4 | 85.4 | 0 | 0 | 122.4 | ||||
| 162 | R | 29.6 | Very low | 28.7 | Very low | 141 Ų | 141 | 115.4 Ų | 115.4 | 53% | 0.532 | 62% | 0.623 | S | S | . | * | trans | 59.1 | 157.5 | 131.1 | -65.4 | -175.3 | 167.4 | -162.7 | -12.4 | 122.5 | E281 | R162-E281 IonicContact CZ-OE1 3.3Å; R162-E281 IonicContact CZ-OE2 2.81Å; R162-E281 IonicContact NH1-OE2 2.64Å; R162-E281 PolarHBondContact NH1-OE2 3.2Å; R162-E281 IonicContact NH2-OE1 2.74Å; R162-E281 PolarHBondContact NH2-OE1 3.08Å; R162-E281 IonicContact NH2-OE2 3.83Å; R162-E281 PolarHBondContact NH2-OE2 3.24Å | ||
| 163 | K | 32.9 | Very low | 28.8 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 47% | 0.47 | 62% | 0.62 | S | S | . | * | cis | -173.8 | 178 | -15.7 | -108.9 | -178.2 | 155.4 | -174.5 | 0 | 106 | E281 | K163-E281 IonicContact NZ-OE1 3.2Å; K163-E281 PolarHBondContact NZ-OE1 2.92Å | ||
| 164 | D | 31.9 | Very low | 28.9 | Very low | 78 Ų | 78 | 115.6 Ų | 115.6 | 42% | 0.417 | 61% | 0.612 | S | S | . | * | cis | -173.5 | 162.7 | -7.2 | -110.1 | -24.7 | 0 | 0 | 0 | 105.6 | R300 | D164-R300 IonicContact OD2-CZ 2.66Å; D164-R300 IonicContact OD2-NE 2.74Å; D164-R300 IonicContact OD2-NH2 3.39Å; D164-R300 PolarHBondContact OD2-NH2 3.33Å | ||
| 165 | N | 29.2 | Very low | 29 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 66% | 0.658 | 61% | 0.607 | S | S | * | * | cis | -176.4 | 169.5 | -22.3 | -146 | -55 | 0 | 0 | 0 | 112.2 | ||||
| 166 | K | 33.1 | Very low | 29.2 | Very low | 136 Ų | 136 | 116 Ų | 116 | 59% | 0.591 | 61% | 0.606 | S | S | * | * | trans | 91.1 | 138.3 | 151.7 | -69.7 | -172.7 | -175.4 | -173.9 | 0 | 128.7 | D298 | K166-D298 WeakPolarHBondContact CE-OD2 3.43Å; K166-D298 IonicContact NZ-OD2 3.98Å; K166-D298 PolarHBondContact NZ-OD2 3.12Å | ||
| 167 | N | 28.5 | Very low | 29.3 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 59% | 0.588 | 62% | 0.615 | S | S | * | * | trans | 105.6 | 148.7 | 136.1 | -79.9 | 19.8 | 0 | 0 | 0 | 126.7 | K1868 | N167-K1868 PolarHBondContact O-N 3.46Š| ||
| 168 | L | 30.8 | Very low | 29.6 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 61% | 0.607 | 61% | 0.61 | S | S | * | * | trans | -154.9 | 141.2 | -144 | 174 | 146.3 | 0 | 0 | 0 | 116.9 | K1868 | L168-K1868 WeakPolarHBondContact CA-O 3.44Å; L168-K1868 VanDerWaalsContact CB-O 3.23Å; L168-K1868 WeakPolarHBondContact CB-O 3.47Å | ||
| 169 | L | 26.6 | Very low | 29.6 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 45% | 0.45 | 61% | 0.61 | S | S | . | * | trans | -175.2 | 119.1 | 153 | -130.8 | 82.1 | 0 | 0 | 0 | 116.6 | E1867 | L169-E1867 CarbonylContact C-O 3.6Å; L169-E1867 PolarHBondContact N-O 2.8Å; L169-E1867 PolarHBondContact O-N 2.85Å; L169-E1867 VanDerWaalsContact O-O 3.12Å | ||
| 170 | T | 27 | Very low | 29.6 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | trans | 59.6 | 161.4 | 138.6 | 50.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 171 | T | 27.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | cis | -153.9 | 141.3 | 1.6 | 0.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 172 | Q | 27.4 | Very low | 29.1 | Very low | 153 Ų | 153 | 117.1 Ų | 117.1 | 72% | 0.715 | 60% | 0.604 | S | S | * | * | trans | 62.6 | 124 | 135 | -77.8 | -171.6 | 32.3 | 0 | 0 | 124.3 | ||||
| 173 | N | 26.9 | Very low | 28.9 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 62% | 0.615 | 61% | 0.609 | S | S | * | * | 73.9 | 155.5 | 121.4 | -63.5 | -3 | 0 | 0 | 0 | 119.6 | |||||
| 174 | N | 26.9 | Very low | 28.7 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | cis | 178.2 | 170.1 | -15 | -96.8 | -11.7 | 0 | 0 | 0 | 105.8 | ||||
| 175 | T | 29 | Very low | 28.5 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | cis | -166.5 | 171.6 | 0 | 15.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 176 | D | 28.6 | Very low | 28.3 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | trans | 69.1 | 116 | 143.9 | -83.2 | 40 | 0 | 0 | 0 | 118 | K178 | D176-K178 IonicContact OD1-NZ 3.65Å; D176-K178 IonicContact OD2-NZ 2.68Å; D176-K178 PolarHBondContact OD2-NZ 3.26Å | ||
| 177 | D | 31.7 | Very low | 28 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 66% | 0.658 | 65% | 0.649 | S | S | * | * | 95.6 | 167.6 | 58.8 | -97.5 | -40.7 | 0 | 0 | 0 | 112.2 | |||||
| 178 | K | 31.4 | Very low | 27.8 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 47% | 0.465 | 66% | 0.661 | S | S | . | * | cis | -156.1 | 176.7 | 10.2 | -127 | 142.7 | -162.1 | 115.2 | 0 | 108.2 | D176 | D176-K178 IonicContact OD1-NZ 3.65Å; D176-K178 IonicContact OD2-NZ 2.68Å; D176-K178 PolarHBondContact OD2-NZ 3.26Å | ||
| 179 | Q | 28.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | trans | 69.9 | 146 | 137.5 | -81 | 171.5 | 38.8 | 0 | 0 | 121.4 | ||||
| 180 | T | 29.1 | Very low | 27.5 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 59% | 0.589 | 69% | 0.685 | S | S | * | * | cis | -165.2 | 169.2 | -20.7 | 5.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 181 | R | 26.8 | Very low | 27.4 | Very low | 208 Ų | 208 | 129.6 Ų | 129.6 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | 84.9 | 133.1 | 148.2 | -67.1 | 135.5 | -162.7 | -144.1 | 6.7 | 116 | ||||
| 182 | G | 27.3 | Very low | 27.3 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | cis | 134.8 | -168.5 | -15.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 183 | F | 24.6 | Very low | 27.4 | Very low | 145 Ų | 145 | 138 Ų | 138 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | 69 | 143.9 | -168.7 | -63.4 | -111.3 | 0 | 0 | 0 | 111.8 | R185 | F183-R185 HydrophobicContact CD1-CG 4.29Å; F183-R185 VanDerWaalsContact CE1-NE 3.33Å | ||
| 184 | V | 29 | Very low | 27.4 | Very low | 135 Ų | 135 | 143 Ų | 143 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | cis | -135 | 122.5 | 27.8 | 165.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 185 | R | 28.7 | Very low | 27.4 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 70% | 0.698 | 73% | 0.727 | S | S | * | * | 55.3 | 148 | 64.5 | -74 | -161.6 | -168.9 | -169.8 | 7.1 | 114.2 | F183 | F183-R185 HydrophobicContact CD1-CG 4.29Å; F183-R185 VanDerWaalsContact CE1-NE 3.33Å | |||
| 186 | R | 25.7 | Very low | 27.4 | Very low | 187 Ų | 187 | 151 Ų | 151 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -171.3 | 141.6 | -30.2 | 134.5 | 178.7 | 161.2 | 84 | 10.2 | 104.9 | ||||
| 187 | W | 25.2 | Very low | 27.4 | Very low | 201 Ų | 201 | 154.7 Ų | 154.7 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | cis | -164.1 | 158.6 | -23.6 | -78.8 | -45.1 | 0 | 0 | 0 | 105.8 | ||||
| 188 | S | 24 | Very low | 27.2 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -137.8 | 159.5 | 150.5 | -165.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 189 | S | 24.6 | Very low | 27.1 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 61.2 | 115.4 | -152.8 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 190 | G | 26.6 | Very low | 27.2 | Very low | 73 Ų | 73 | 155.5 Ų | 155.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -138.3 | 9.7 | -157.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | R192 | G190-R192 PolarHBondContact O-N 3.04Š| ||
| 191 | S | 25.8 | Very low | 27.1 | Very low | 101 Ų | 101 | 157.4 Ų | 157.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -83.3 | 77.2 | -176.5 | -154.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 192 | R | 25.8 | Very low | 27.1 | Very low | 241 Ų | 241 | 158.1 Ų | 158.1 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -132.6 | 97.7 | 163.2 | -82.9 | -166.4 | 175.1 | 179.9 | 0 | 112.3 | G190 | G190-R192 PolarHBondContact O-N 3.04Š| ||
| 193 | K | 29.6 | Very low | 26.9 | Very low | 193 Ų | 193 | 158.6 Ų | 158.6 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 1.1 | 115.7 | 157.4 | -64.4 | 174.7 | 178.9 | 174.9 | 0 | 116 | Q195 | K193-Q195 PolarHBondContact O-N 2.88Š| ||
| 194 | K | 26.8 | Very low | 27.1 | Very low | 220 Ų | 220 | 158.4 Ų | 158.4 | 96% | 0.957 | 78% | 0.78 | S | S | * | * | trans | -63.8 | 98.4 | 148.7 | -82.4 | 178.8 | 179.2 | 168.3 | 0 | 108.5 | ||||
| 195 | Q | 27.6 | Very low | 27.2 | Very low | 158 Ų | 158 | 158.4 Ų | 158.4 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -111.9 | 108.3 | 153.4 | -94 | -158.1 | -6.4 | 0 | 0 | 110.4 | K193 | K193-Q195 PolarHBondContact O-N 2.88Š| ||
| 196 | R | 27.6 | Very low | 27.1 | Very low | 241 Ų | 241 | 156.8 Ų | 156.8 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -85.1 | 112.8 | 135.3 | -56.3 | 176.5 | 77.9 | 151.9 | 2.3 | 102.3 | ||||
| 197 | K | 28.4 | Very low | 27.2 | Very low | 186 Ų | 186 | 154.7 Ų | 154.7 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | 40.7 | 115.8 | 66.9 | -67.6 | -166.9 | 175.1 | -174 | 0 | 109.8 | |||||
| 198 | S | 27.6 | Very low | 27.6 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | -140.4 | 167.4 | 29.7 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 199 | S | 28.9 | Very low | 28 | Very low | 97 Ų | 97 | 155.3 Ų | 155.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -177.8 | 168.6 | 0.8 | 29.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 200 | K | 32 | Very low | 28.4 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | cis | -167.7 | 163.2 | 8.2 | -114.8 | 160.3 | 175.5 | -178 | 0 | 104.7 | ||||
| 201 | N | 26.1 | Very low | 29.4 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | cis | -169.8 | 175.2 | -22.5 | -118.2 | 43.2 | 0 | 0 | 0 | 108 | ||||
| 202 | R | 27.3 | Very low | 30.5 | Very low | 223 Ų | 223 | 159.7 Ų | 159.7 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | 90.4 | 116.3 | -176.2 | -70 | -174.6 | 166.5 | 164.6 | -4.5 | 114 | ||||
| 203 | S | 24.2 | Very low | 31.9 | Very low | 78 Ų | 78 | 148.7 Ų | 148.7 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | cis | 67.8 | 130.3 | 6.3 | 106.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 204 | D | 27.3 | Very low | 32.7 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | cis | -143.3 | 153.5 | 13.7 | -67.4 | -82.4 | 0 | 0 | 0 | 111.1 | ||||
| 205 | L | 30.8 | Very low | 33.5 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 71% | 0.707 | 68% | 0.68 | S | S | * | * | trans | -166.1 | 122 | 138.8 | -107.5 | 171.7 | 0 | 0 | 0 | 108.9 | ||||
| 206 | I | 27.3 | Very low | 34.2 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | trans | -115.5 | 129.2 | 163.7 | -66.8 | 168.2 | 0 | 0 | 0 | 103.8 | ||||
| 207 | D | 28.7 | Very low | 34.9 | Very low | 143 Ų | 143 | 123.4 Ų | 123.4 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | trans | -173 | 155.2 | 147.5 | -89.1 | -29.7 | 0 | 0 | 0 | 110 | ||||
| 208 | D | 33.2 | Very low | 35.2 | Very low | 137 Ų | 137 | 119.3 Ų | 119.3 | 73% | 0.733 | 62% | 0.62 | S | S | * | * | trans | 52 | 57.5 | 168.2 | -66.2 | -14.6 | 0 | 0 | 0 | 120.1 | L210 | D208-L210 PolarHBondContact O-N 2.69Š| ||
| 209 | E | 31.1 | Very low | 35.9 | Very low | 199 Ų | 199 | 115 Ų | 115 | 93% | 0.93 | 59% | 0.589 | S | S | * | * | trans | -74.4 | 61.9 | 151.5 | -166.4 | 171.4 | -152.6 | 0 | 0 | 110.7 | E211 | E209-E211 PolarHBondContact O-N 2.8Š| ||
| 210 | L | 34.5 | Very low | 36.2 | Very low | 137 Ų | 137 | 115.8 Ų | 115.8 | 72% | 0.717 | 58% | 0.577 | S | S | * | * | trans | -71.7 | 112.9 | 176.8 | -108.2 | 168.2 | 0 | 0 | 0 | 110.2 | D208 Q212 | D208-L210 PolarHBondContact O-N 2.69Å; L210-Q212 PolarHBondContact O-N 3.34Å | ||
| 211 | E | 46.9 | Very low | 36.3 | Very low | 77 Ų | 77 | 107.7 Ų | 107.7 | 36% | 0.36 | 54% | 0.543 | S | S | . | . | trans | -55.1 | 95.4 | -173.7 | -64.6 | 177.2 | 118.9 | 0 | 0 | 113.5 | R46 E209 I213 | R46-E211 IonicContact CZ-OE1 2.78Å; R46-E211 VanDerWaalsContact CZ-OE1 3.31Å; R46-E211 IonicContact CZ-OE2 2.81Å; R46-E211 IonicContact NH1-OE1 2.8Å; R46-E211 IonicContact NH1-OE2 3.72Å; R46-E211 PolarHBondContact NH1-OE2 3.45Å; R46-E211 IonicContact NH2-OE1 2.82Å; R46-E211 PolarHBondContact NH2-OE1 2.87Å; R46-E211 IonicContact NH2-OE2 3.59Å; R46-E211 PolarHBondContact NH2-OE2 3.19Å; E209-E211 PolarHBondContact O-N 2.8Å; E211-I213 PolarHBondContact O-N 2.84Å | ||
| 212 | Q | 49 | Very low | 36.6 | Very low | 167 Ų | 167 | 105.1 Ų | 105.1 | 78% | 0.78 | 53% | 0.529 | S | S | * | . | trans | -67.2 | 98.2 | 173.3 | -69.8 | -173.2 | -2.3 | 0 | 0 | 110.5 | L210 | L210-Q212 PolarHBondContact O-N 3.34Š| ||
| 213 | I | 54.7 | Low | 36.9 | Very low | 9 Ų | 9 | 100.4 Ų | 100.4 | 5% | 0.046 | 53% | 0.53 | C | S | . | . | trans | -48.4 | 125.5 | 161.3 | -65 | 151.1 | 0 | 0 | 0 | 106.7 | Y52 Y93 R123 I125 E211 D215 | Y52-I213 HydrophobicContact CE1-CG1 4.03Å; Y52-I213 HydrophobicContact CE2-CB 4.41Å; Y52-I213 HydrophobicContact CE2-CG1 3.85Å; Y52-I213 VanDerWaalsContact CZ-CG1 3.5Å; Y52-I213 WeakPolarHBondContact OH-CG1 3.47Å; Y93-I213 HydrophobicContact CD1-CD1 3.65Å; Y93-I213 HydrophobicContact CD2-CD1 3.5Å; Y93-I213 VanDerWaalsContact CD2-CD1 3.5Å; Y93-I213 HydrophobicContact CE1-CD1 3.66Å; Y93-I213 HydrophobicContact CE2-CD1 3.5Å; Y93-I213 HydrophobicContact CG-CD1 3.56Å; R123-I213 PolarHBondContact NH1-O 2.87Å; I125-I213 HydrophobicContact CD1-CD1 3.75Å; I125-I213 HydrophobicContact CD1-CG1 4.2Å; I125-I213 HydrophobicContact CD1-CG2 4.42Å; E211-I213 PolarHBondContact O-N 2.84Å; I213-D215 PolarHBondContact O-N 3.3Å | ||
| 214 | P | 47.4 | Very low | 37.7 | Very low | 42 Ų | 42 | 100.5 Ų | 100.5 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | trans | -57.7 | 129.1 | -161 | 18.4 | -32.7 | 0 | 0 | 0 | 112.7 | F44 Y52 R123 T216 | F44-P214 HydrophobicContact CE1-CG 4.37Å; Y52-P214 HydrophobicContact CG-CG 4.48Å; R123-P214 PolarHBondContact NH1-O 3.16Å; P214-T216 PolarHBondContact O-N 3.02Å | ||
| 215 | D | 43.9 | Very low | 38.1 | Very low | 117 Ų | 117 | 97.7 Ų | 97.7 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -71.8 | 7 | -171.9 | -102.1 | -8.3 | 0 | 0 | 0 | 115.6 | R123 I213 T217 | R123-D215 IonicContact CZ-OD1 2.77Å; R123-D215 IonicContact NH1-OD1 3.98Å; R123-D215 PolarHBondContact NH1-OD1 3.18Å; R123-D215 IonicContact NH2-OD1 2.79Å; R123-D215 PolarHBondContact NH2-OD1 2.89Å; I213-D215 PolarHBondContact O-N 3.3Å; D215-T217 PolarHBondContact O-N 2.87Å |
| 216 | T | 41.2 | Very low | 38.5 | Very low | 90 Ų | 90 | 97.1 Ų | 97.1 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | trans | -76.2 | 67.6 | 170.9 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | P214 F218 | P214-T216 PolarHBondContact O-N 3.02Å; T216-F218 PolarHBondContact O-N 2.74Å | ||
| 217 | T | 41.4 | Very low | 39.2 | Very low | 33 Ų | 33 | 92.2 Ų | 92.2 | 20% | 0.202 | 49% | 0.485 | C | S | . | . | trans | -65 | 74.7 | 158.3 | -41.8 | 0 | 0 | 0 | 0 | 108.4 | E121 R123 D215 T219 | E121-T217 HydrophobicContact CB-CG2 4.35Å; E121-T217 HydrophobicContact CG-CG2 4.37Å; E121-T217 WeakPolarHBondContact OE2-CB 3.33Å; E121-T217 VanDerWaalsContact OE2-CG2 3.26Å; E121-T217 WeakPolarHBondContact OE2-CG2 3.38Å; E121-T217 PolarHBondContact OE2-OG1 2.95Å; E121-T217 VanDerWaalsContact OE2-OG1 3.1Å; R123-T217 PolarHBondContact NH2-OG1 3.48Å; D215-T217 PolarHBondContact O-N 2.87Å; T217-T219 PolarHBondContact O-N 2.72Å | ||
| 218 | F | 35.8 | Very low | 39.9 | Very low | 100 Ų | 100 | 86.1 Ų | 86.1 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | trans | -80.2 | 61.1 | -165.3 | -156.7 | -116.4 | 0 | 0 | 0 | 112.3 | T216 R220 | T216-F218 PolarHBondContact O-N 2.74Å; F218-R220 HydrophobicContact CD1-CB 4.06Å; F218-R220 HydrophobicContact CE1-CB 3.75Å; F218-R220 HydrophobicContact CE1-CG 3.77Å; F218-R220 HydrophobicContact CE2-CG 4.5Å; F218-R220 HydrophobicContact CZ-CB 4.1Å; F218-R220 HydrophobicContact CZ-CG 3.74Å; F218-R220 PolarHBondContact O-N 3.49Å | ||
| 219 | T | 41.3 | Very low | 40.6 | Very low | 20 Ų | 20 | 84.6 Ų | 84.6 | 12% | 0.123 | 45% | 0.445 | C | S | . | . | trans | -64.6 | 78.9 | 149.3 | 63.2 | 0 | 0 | 0 | 0 | 107.6 | T217 T221 R232 | T217-T219 PolarHBondContact O-N 2.72Å; T219-T221 WeakPolarHBondContact O-CG2 3.46Å; T219-T221 PolarHBondContact O-N 2.72Å; T219-T221 PolarHBondContact O-OG1 3.12Å; T219-R232 PolarHBondContact OG1-NH2 2.76Å | ||
| 220 | R | 35.9 | Very low | 41.5 | Very low | 113 Ų | 113 | 81.3 Ų | 81.3 | 43% | 0.426 | 42% | 0.424 | S | S | . | . | trans | -60.8 | 108.2 | 160.1 | -146.8 | -179 | -146.4 | 169.7 | 9.8 | 104.2 | L23 F218 R1044 | L23-R220 WeakPolarHBondContact CB-O 3.23Å; L23-R220 HydrophobicContact CD1-CB 3.9Å; L23-R220 HydrophobicContact CD1-CG 4.24Å; L23-R220 VanDerWaalsContact CD1-O 3.26Å; L23-R220 WeakPolarHBondContact CD1-O 3.5Å; L23-R220 WeakPolarHBondContact CG-O 3.25Å; F218-R220 HydrophobicContact CD1-CB 4.06Å; F218-R220 HydrophobicContact CE1-CB 3.75Å; F218-R220 HydrophobicContact CE1-CG 3.77Å; F218-R220 HydrophobicContact CE2-CG 4.5Å; F218-R220 HydrophobicContact CZ-CB 4.1Å; F218-R220 HydrophobicContact CZ-CG 3.74Å; F218-R220 PolarHBondContact O-N 3.49Å; R220-R1044 PolarHBondContact NH2-O 3.42Å | ||
| 221 | T | 34.8 | Very low | 42.3 | Very low | 14 Ų | 14 | 81.7 Ų | 81.7 | 9% | 0.086 | 42% | 0.416 | C | S | . | . | trans | -116.3 | 104.5 | -167.2 | 39 | 0 | 0 | 0 | 0 | 109 | T21 T219 V228 | T21-T221 WeakPolarHBondContact O-CG2 3.4Å; T219-T221 WeakPolarHBondContact O-CG2 3.46Å; T219-T221 PolarHBondContact O-N 2.72Å; T219-T221 PolarHBondContact O-OG1 3.12Å; T221-V228 HydrophobicContact CG2-CG1 4.43Å; T221-V228 WeakPolarHBondContact O-CG2 3.43Å; T221-V228 WeakPolarHBondContact OG1-CG1 3.46Å | ||
| 222 | L | 32.8 | Very low | 42.3 | Very low | 82 Ų | 82 | 81.2 Ų | 81.2 | 43% | 0.429 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 55 | 168.7 | -171 | -66.7 | 162.5 | 0 | 0 | 0 | 114.5 | N224 V228 | L222-N224 PolarHBondContact O-N 3.08Å; L222-V228 HydrophobicContact CB-CG2 4.04Å; L222-V228 HydrophobicContact CD1-CG2 4.12Å |
| 223 | S | 33.4 | Very low | 42.2 | Very low | 125 Ų | 125 | 79.6 Ų | 79.6 | 87% | 0.874 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -78.5 | 5.2 | -175.8 | 43.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 224 | N | 40.8 | Very low | 42.2 | Very low | 79 Ų | 79 | 83.8 Ų | 83.8 | 42% | 0.422 | 42% | 0.417 | S | S | . | . | trans | -130.4 | 94.3 | 174.9 | -175.8 | -17.1 | 0 | 0 | 0 | 109.1 | L222 D226 E227 V228 | L222-N224 PolarHBondContact O-N 3.08Å; N224-D226 VanDerWaalsContact C-N 3.27Å; N224-D226 PolarHBondContact O-N 2.93Å; N224-D226 PolarHBondContact OD1-N 3.31Å; N224-E227 HydrophobicContact CB-CB 4.01Å; N224-E227 PolarHBondContact O-N 3.47Å; N224-E227 PolarHBondContact OD1-N 2.7Å; N224-V228 PolarHBondContact O-N 3.09Å | ||
| 225 | P | 36.1 | Very low | 42.4 | Very low | 82 Ų | 82 | 87.2 Ų | 87.2 | 53% | 0.532 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -30.3 | -177.6 | 27.7 | -34.4 | 0 | 0 | 0 | 112 | V228 L229 | P225-V228 PolarHBondContact O-N 3.33Å; P225-L229 WeakPolarHBondContact O-CB 3.43Å; P225-L229 WeakPolarHBondContact O-CD1 3.21Å; P225-L229 PolarHBondContact O-N 2.59Å |
| 226 | D | 38.7 | Very low | 42.7 | Very low | 124 Ų | 124 | 90.1 Ų | 90.1 | 66% | 0.663 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.9 | -38.4 | 176 | -70.1 | -52.3 | 0 | 0 | 0 | 111.7 | N224 L229 R230 | N224-D226 VanDerWaalsContact C-N 3.27Å; N224-D226 PolarHBondContact O-N 2.93Å; N224-D226 PolarHBondContact OD1-N 3.31Å; D226-L229 PolarHBondContact O-N 3.09Å; D226-R230 WeakPolarHBondContact O-CA 3.26Å; D226-R230 WeakPolarHBondContact O-CB 3.27Å; D226-R230 PolarHBondContact O-N 3.37Å |
| 227 | E | 42.4 | Very low | 42.9 | Very low | 46 Ų | 46 | 89.1 Ų | 89.1 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.3 | -35.1 | 176.5 | 178.9 | 59.8 | -169.6 | 0 | 0 | 112.2 | N224 R230 R231 | N224-E227 HydrophobicContact CB-CB 4.01Å; N224-E227 PolarHBondContact O-N 3.47Å; N224-E227 PolarHBondContact OD1-N 2.7Å; E227-R230 VanDerWaalsContact CD-NH2 3.29Å; E227-R230 PolarHBondContact O-N 2.87Å; E227-R230 IonicContact OE1-CZ 2.65Å; E227-R230 IonicContact OE1-NE 2.64Å; E227-R230 IonicContact OE1-NH2 2.75Å; E227-R230 PolarHBondContact OE1-NH2 2.95Å; E227-R230 IonicContact OE2-CZ 3.75Å; E227-R230 IonicContact OE2-NE 2.61Å; E227-R230 PolarHBondContact OE2-NE 3.01Å; E227-R230 IonicContact OE2-NH2 3.29Å; E227-R230 PolarHBondContact OE2-NH2 3.03Å; E227-R231 WeakPolarHBondContact O-CB 3.32Å; E227-R231 WeakPolarHBondContact O-CG 3.3Å; E227-R231 PolarHBondContact O-N 3.06Å; E227-R231 IonicContact OE1-CZ 2.84Å; E227-R231 IonicContact OE1-NE 3.11Å; E227-R231 PolarHBondContact OE1-NE 3.36Å; E227-R231 IonicContact OE1-NH2 3.67Å |
| 228 | V | 43.1 | Very low | 43.2 | Very low | 15 Ų | 15 | 92.6 Ų | 92.6 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -79.7 | -31.3 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | T221 L222 N224 P225 R230 R231 R232 | T221-V228 HydrophobicContact CG2-CG1 4.43Å; T221-V228 WeakPolarHBondContact O-CG2 3.43Å; T221-V228 WeakPolarHBondContact OG1-CG1 3.46Å; L222-V228 HydrophobicContact CB-CG2 4.04Å; L222-V228 HydrophobicContact CD1-CG2 4.12Å; N224-V228 PolarHBondContact O-N 3.09Å; P225-V228 PolarHBondContact O-N 3.33Å; V228-R230 VanDerWaalsContact C-N 3.27Å; V228-R230 PolarHBondContact O-N 2.77Å; V228-R231 PolarHBondContact O-N 3.47Å; V228-R232 HydrophobicContact CG1-CG 4.18Å; V228-R232 VanDerWaalsContact O-CB 3.26Å; V228-R232 WeakPolarHBondContact O-CB 3.29Å; V228-R232 WeakPolarHBondContact O-CG 3.42Å; V228-R232 PolarHBondContact O-N 2.83Å |
| 229 | L | 47.4 | Very low | 43.7 | Very low | 105 Ų | 105 | 92.2 Ų | 92.2 | 55% | 0.55 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.8 | -33.5 | 164.7 | -100.5 | 69.2 | 0 | 0 | 0 | 111.4 | P225 D226 R233 | P225-L229 WeakPolarHBondContact O-CB 3.43Å; P225-L229 WeakPolarHBondContact O-CD1 3.21Å; P225-L229 PolarHBondContact O-N 2.59Å; D226-L229 PolarHBondContact O-N 3.09Å; L229-R233 WeakPolarHBondContact O-CA 3.37Å; L229-R233 WeakPolarHBondContact O-CB 3.47Å; L229-R233 VanDerWaalsContact O-CG 3.23Å; L229-R233 WeakPolarHBondContact O-CG 3.46Å; L229-R233 PolarHBondContact O-N 3.28Å |
| 230 | R | 51 | Low | 43.7 | Very low | 131 Ų | 131 | 100.1 Ų | 100.1 | 49% | 0.494 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.5 | -44.8 | 175.2 | -167.6 | 176.7 | 74.3 | 111.9 | 6.9 | 111 | D226 E227 V228 R233 Q234 | D226-R230 WeakPolarHBondContact O-CA 3.26Å; D226-R230 WeakPolarHBondContact O-CB 3.27Å; D226-R230 PolarHBondContact O-N 3.37Å; E227-R230 VanDerWaalsContact CD-NH2 3.29Å; E227-R230 PolarHBondContact O-N 2.87Å; E227-R230 IonicContact OE1-CZ 2.65Å; E227-R230 IonicContact OE1-NE 2.64Å; E227-R230 IonicContact OE1-NH2 2.75Å; E227-R230 PolarHBondContact OE1-NH2 2.95Å; E227-R230 IonicContact OE2-CZ 3.75Å; E227-R230 IonicContact OE2-NE 2.61Å; E227-R230 PolarHBondContact OE2-NE 3.01Å; E227-R230 IonicContact OE2-NH2 3.29Å; E227-R230 PolarHBondContact OE2-NH2 3.03Å; V228-R230 VanDerWaalsContact C-N 3.27Å; V228-R230 PolarHBondContact O-N 2.77Å; R230-R233 PolarHBondContact O-N 2.88Å; R230-Q234 VanDerWaalsContact O-CB 3.3Å; R230-Q234 WeakPolarHBondContact O-CB 3.3Å; R230-Q234 WeakPolarHBondContact O-CG 3.27Å; R230-Q234 PolarHBondContact O-N 2.67Å; R230-Q234 PolarHBondContact O-OE1 3.33Å |
| 231 | R | 49.3 | Very low | 43.6 | Very low | 144 Ų | 144 | 97.4 Ų | 97.4 | 54% | 0.543 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.3 | -44.9 | 174.7 | -72.9 | -176.7 | -175.4 | -159.8 | -3 | 112.8 | E227 V228 R233 Q234 Q235 | E227-R231 WeakPolarHBondContact O-CB 3.32Å; E227-R231 WeakPolarHBondContact O-CG 3.3Å; E227-R231 PolarHBondContact O-N 3.06Å; E227-R231 IonicContact OE1-CZ 2.84Å; E227-R231 IonicContact OE1-NE 3.11Å; E227-R231 PolarHBondContact OE1-NE 3.36Å; E227-R231 IonicContact OE1-NH2 3.67Å; V228-R231 PolarHBondContact O-N 3.47Å; R231-R233 VanDerWaalsContact C-N 3.32Å; R231-R233 PolarHBondContact O-N 3.26Å; R231-Q234 CarbonylContact O-C 3.41Å; R231-Q234 PolarHBondContact O-N 3.1Å; R231-Q235 WeakPolarHBondContact O-CB 3.49Å; R231-Q235 PolarHBondContact O-N 3.39Å |
| 232 | R | 47.8 | Very low | 43.8 | Very low | 68 Ų | 68 | 101.6 Ų | 101.6 | 26% | 0.257 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -32.7 | 172.7 | -74.9 | -172.6 | 177.6 | -164.6 | 1.7 | 111.8 | E121 T219 V228 R236 | E121-R232 IonicContact OE1-NH1 2.99Å; E121-R232 PolarHBondContact OE1-NH1 3.33Å; T219-R232 PolarHBondContact OG1-NH2 2.76Å; V228-R232 HydrophobicContact CG1-CG 4.18Å; V228-R232 VanDerWaalsContact O-CB 3.26Å; V228-R232 WeakPolarHBondContact O-CB 3.29Å; V228-R232 WeakPolarHBondContact O-CG 3.42Å; V228-R232 PolarHBondContact O-N 2.83Å; R232-R236 WeakPolarHBondContact O-CB 3.16Å; R232-R236 VanDerWaalsContact O-CG 3.24Å; R232-R236 WeakPolarHBondContact O-CG 3.44Å; R232-R236 PolarHBondContact O-N 3.19Å |
| 233 | R | 46.2 | Very low | 44 | Very low | 132 Ų | 132 | 101.2 Ų | 101.2 | 50% | 0.498 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -48 | 167.7 | -86.7 | -178.6 | 168.9 | -167.3 | -1.5 | 111.2 | L229 R230 R231 Q235 R236 I237 | L229-R233 WeakPolarHBondContact O-CA 3.37Å; L229-R233 WeakPolarHBondContact O-CB 3.47Å; L229-R233 VanDerWaalsContact O-CG 3.23Å; L229-R233 WeakPolarHBondContact O-CG 3.46Å; L229-R233 PolarHBondContact O-N 3.28Å; R230-R233 PolarHBondContact O-N 2.88Å; R231-R233 VanDerWaalsContact C-N 3.32Å; R231-R233 PolarHBondContact O-N 3.26Å; R233-Q235 VanDerWaalsContact C-N 3.33Å; R233-Q235 PolarHBondContact O-N 2.79Å; R233-R236 PolarHBondContact O-N 2.67Å; R233-I237 HydrophobicContact CB-CD1 4.34Å; R233-I237 WeakPolarHBondContact O-CB 3.33Å; R233-I237 WeakPolarHBondContact O-CD1 3.41Å; R233-I237 WeakPolarHBondContact O-CG1 3.21Å; R233-I237 PolarHBondContact O-N 2.93Å |
| 234 | Q | 55.7 | Low | 43.9 | Very low | 97 Ų | 97 | 101.2 Ų | 101.2 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 179.7 | -78.5 | 166.1 | -25.7 | 0 | 0 | 111.1 | R230 R231 H238 | R230-Q234 VanDerWaalsContact O-CB 3.3Å; R230-Q234 WeakPolarHBondContact O-CB 3.3Å; R230-Q234 WeakPolarHBondContact O-CG 3.27Å; R230-Q234 PolarHBondContact O-N 2.67Å; R230-Q234 PolarHBondContact O-OE1 3.33Å; R231-Q234 CarbonylContact O-C 3.41Å; R231-Q234 PolarHBondContact O-N 3.1Å; Q234-H238 WeakPolarHBondContact O-CA 3.12Å; Q234-H238 WeakPolarHBondContact O-CB 3.34Å; Q234-H238 PolarHBondContact O-N 3.31Å |
| 235 | Q | 51.8 | Low | 43.5 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.3 | -44.5 | 172.9 | -74 | 177.8 | -49.5 | 0 | 0 | 112.6 | R231 R233 I237 H238 N239 | R231-Q235 WeakPolarHBondContact O-CB 3.49Å; R231-Q235 PolarHBondContact O-N 3.39Å; R233-Q235 VanDerWaalsContact C-N 3.33Å; R233-Q235 PolarHBondContact O-N 2.79Å; Q235-I237 VanDerWaalsContact C-N 3.26Å; Q235-I237 PolarHBondContact O-N 2.91Å; Q235-H238 PolarHBondContact O-N 2.89Å; Q235-N239 WeakPolarHBondContact O-CB 3.43Å; Q235-N239 VanDerWaalsContact O-CG 3.27Å; Q235-N239 PolarHBondContact O-N 2.9Å; Q235-N239 PolarHBondContact O-OD1 3.35Å |
| 236 | R | 50.7 | Low | 43.5 | Very low | 178 Ų | 178 | 104.6 Ų | 104.6 | 67% | 0.672 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -30.6 | 175.1 | -75 | 178.2 | 179 | -177.1 | -0.2 | 112.6 | R232 R233 R240 | R232-R236 WeakPolarHBondContact O-CB 3.16Å; R232-R236 VanDerWaalsContact O-CG 3.24Å; R232-R236 WeakPolarHBondContact O-CG 3.44Å; R232-R236 PolarHBondContact O-N 3.19Å; R233-R236 PolarHBondContact O-N 2.67Å; R236-R240 WeakPolarHBondContact O-CB 3.5Å; R236-R240 PolarHBondContact O-N 3.02Å; R236-R240 VanDerWaalsContact O-N 3.16Å |
| 237 | I | 45.3 | Very low | 43.1 | Very low | 70 Ų | 70 | 101.8 Ų | 101.8 | 36% | 0.359 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -77.5 | -40.8 | 173.1 | -69.5 | 165.2 | 0 | 0 | 0 | 110 | R233 Q235 R240 N241 L255 | R233-I237 HydrophobicContact CB-CD1 4.34Å; R233-I237 WeakPolarHBondContact O-CB 3.33Å; R233-I237 WeakPolarHBondContact O-CD1 3.41Å; R233-I237 WeakPolarHBondContact O-CG1 3.21Å; R233-I237 PolarHBondContact O-N 2.93Å; Q235-I237 VanDerWaalsContact C-N 3.26Å; Q235-I237 PolarHBondContact O-N 2.91Å; I237-R240 CarbonylContact O-C 3.38Å; I237-R240 PolarHBondContact O-N 3.45Å; I237-N241 VanDerWaalsContact O-CB 3.22Å; I237-N241 WeakPolarHBondContact O-CB 3.46Å; I237-N241 PolarHBondContact O-N 2.81Å; I237-N241 PolarHBondContact O-ND2 2.7Å; I237-N241 PolarHBondContact O-OD1 2.79Å; I237-L255 HydrophobicContact CD1-CD1 4.27Å |
| 238 | H | 46.7 | Very low | 42.6 | Very low | 105 Ų | 105 | 107.3 Ų | 107.3 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -50.3 | 178 | -173.4 | 73 | 0 | 0 | 0 | 111 | Q234 Q235 R240 N241 Q242 | Q234-H238 WeakPolarHBondContact O-CA 3.12Å; Q234-H238 WeakPolarHBondContact O-CB 3.34Å; Q234-H238 PolarHBondContact O-N 3.31Å; Q235-H238 PolarHBondContact O-N 2.89Å; H238-R240 VanDerWaalsContact C-N 3.32Å; H238-R240 PolarHBondContact O-N 3.01Å; H238-N241 PolarHBondContact O-N 3.19Å; H238-Q242 PolarHBondContact NE2-NE2 3.01Å; H238-Q242 WeakPolarHBondContact O-CB 3.35Å; H238-Q242 WeakPolarHBondContact O-CG 3.44Å; H238-Q242 PolarHBondContact O-N 2.99Å |
| 239 | N | 46.8 | Very low | 41.8 | Very low | 92 Ų | 92 | 110 Ų | 110 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 176.5 | -62.8 | 29 | 0 | 0 | 0 | 111.8 | Q235 C243 | Q235-N239 WeakPolarHBondContact O-CB 3.43Å; Q235-N239 VanDerWaalsContact O-CG 3.27Å; Q235-N239 PolarHBondContact O-N 2.9Å; Q235-N239 PolarHBondContact O-OD1 3.35Å; N239-C243 VanDerWaalsContact O-CB 3.26Å; N239-C243 WeakPolarHBondContact O-CB 3.31Å; N239-C243 PolarHBondContact O-N 3.21Å |
| 240 | R | 40.4 | Very low | 41.1 | Very low | 187 Ų | 187 | 112.7 Ų | 112.7 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -82 | -15.9 | 176.6 | -165.1 | 169.6 | -173.7 | 143.2 | 1.7 | 113.4 | R236 I237 H238 M244 | R236-R240 WeakPolarHBondContact O-CB 3.5Å; R236-R240 PolarHBondContact O-N 3.02Å; R236-R240 VanDerWaalsContact O-N 3.16Å; I237-R240 CarbonylContact O-C 3.38Å; I237-R240 PolarHBondContact O-N 3.45Å; H238-R240 VanDerWaalsContact C-N 3.32Å; H238-R240 PolarHBondContact O-N 3.01Å; R240-M244 WeakPolarHBondContact O-CG 3.29Å |
| 241 | N | 34.4 | Very low | 40.3 | Very low | 55 Ų | 55 | 113.7 Ų | 113.7 | 29% | 0.294 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -79.8 | -48.6 | 165.2 | -69 | -7.3 | 0 | 0 | 0 | 109.3 | I237 H238 C243 M244 D245 | I237-N241 VanDerWaalsContact O-CB 3.22Å; I237-N241 WeakPolarHBondContact O-CB 3.46Å; I237-N241 PolarHBondContact O-N 2.81Å; I237-N241 PolarHBondContact O-ND2 2.7Å; I237-N241 PolarHBondContact O-OD1 2.79Å; H238-N241 PolarHBondContact O-N 3.19Å; N241-C243 PolarHBondContact O-N 2.8Å; N241-M244 CarbonylContact O-C 3.32Å; N241-M244 WeakPolarHBondContact O-CA 3.25Å; N241-M244 PolarHBondContact O-N 3.1Å; N241-D245 VanDerWaalsContact C-OD2 3.25Å; N241-D245 PolarHBondContact O-N 2.87Å; N241-D245 VanDerWaalsContact O-OD2 3.11Å |
| 242 | Q | 39.4 | Very low | 39.8 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -55.4 | -34.7 | 173.9 | -75.6 | 175.1 | -28.5 | 0 | 0 | 112.9 | H238 M244 D245 | H238-Q242 PolarHBondContact NE2-NE2 3.01Å; H238-Q242 WeakPolarHBondContact O-CB 3.35Å; H238-Q242 WeakPolarHBondContact O-CG 3.44Å; H238-Q242 PolarHBondContact O-N 2.99Å; Q242-M244 VanDerWaalsContact C-N 3.25Å; Q242-M244 PolarHBondContact O-N 2.82Å; Q242-D245 PolarHBondContact N-OD2 3.38Å |
| 243 | C | 36.8 | Very low | 39.8 | Very low | 74 Ų | 74 | 116.3 Ų | 116.3 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | 2.9 | 174.4 | -161.5 | 0 | 0 | 0 | 0 | 114.2 | N239 N241 | N239-C243 VanDerWaalsContact O-CB 3.26Å; N239-C243 WeakPolarHBondContact O-CB 3.31Å; N239-C243 PolarHBondContact O-N 3.21Å; N241-C243 PolarHBondContact O-N 2.8Å |
| 244 | M | 32.2 | Very low | 40.4 | Very low | 124 Ų | 124 | 113 Ų | 113 | 61% | 0.611 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -19.9 | 174.9 | -64.2 | -74.6 | -69.1 | 0 | 0 | 112 | R240 N241 Q242 I246 T247 | R240-M244 WeakPolarHBondContact O-CG 3.29Å; N241-M244 CarbonylContact O-C 3.32Å; N241-M244 WeakPolarHBondContact O-CA 3.25Å; N241-M244 PolarHBondContact O-N 3.1Å; Q242-M244 VanDerWaalsContact C-N 3.25Å; Q242-M244 PolarHBondContact O-N 2.82Å; M244-I246 PolarHBondContact O-N 3.1Å; M244-T247 PolarHBondContact O-N 3.1Å |
| 245 | D | 31.7 | Very low | 41.1 | Very low | 130 Ų | 130 | 112.8 Ų | 112.8 | 70% | 0.695 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 12.8 | 172.6 | -64.9 | -37.9 | 0 | 0 | 0 | 112.9 | N241 Q242 | N241-D245 VanDerWaalsContact C-OD2 3.25Å; N241-D245 PolarHBondContact O-N 2.87Å; N241-D245 VanDerWaalsContact O-OD2 3.11Å; Q242-D245 PolarHBondContact N-OD2 3.38Å |
| 246 | I | 35.7 | Very low | 42.3 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100 | -14.5 | 175.5 | -64.3 | 177.8 | 0 | 0 | 0 | 111.8 | T155 M244 | T155-I246 HydrophobicContact CG2-CD1 4.4Å; M244-I246 PolarHBondContact O-N 3.1Å |
| 247 | T | 29.6 | Very low | 43.7 | Very low | 64 Ų | 64 | 102.8 Ų | 102.8 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -138.7 | 114.6 | 170.9 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | H157 M244 | H157-T247 WeakPolarHBondContact CE1-CG2 3.42Å; H157-T247 PolarHBondContact CE1-OG1 2.93Å; M244-T247 PolarHBondContact O-N 3.1Å |
| 248 | D | 31.9 | Very low | 45.7 | Very low | 163 Ų | 163 | 99.5 Ų | 99.5 | 87% | 0.872 | 52% | 0.519 | S | S | * | . | trans | 53 | 117.8 | 166.8 | -60.2 | -19.5 | 0 | 0 | 0 | 118.7 | ||||
| 249 | G | 28.1 | Very low | 47.3 | Very low | 72 Ų | 72 | 96.4 Ų | 96.4 | 74% | 0.742 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -63.1 | 167.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 250 | N | 31.9 | Very low | 49 | Very low | 161 Ų | 161 | 92 Ų | 92 | 86% | 0.861 | 48% | 0.479 | S | S | * | . | trans | 66.4 | 56.8 | 175.4 | -66.7 | -19.7 | 0 | 0 | 0 | 117.5 | ||||
| 251 | K | 34.9 | Very low | 50.2 | Low | 152 Ų | 152 | 85.1 Ų | 85.1 | 66% | 0.661 | 46% | 0.46 | S | S | * | . | trans | -150.5 | 84.8 | 146.4 | -88.6 | 116.1 | -169.9 | 177.4 | 0 | 113.2 | G253 | K251-G253 PolarHBondContact O-N 3.29Š| ||
| 252 | R | 38.1 | Very low | 51.9 | Low | 225 Ų | 225 | 86.1 Ų | 86.1 | 85% | 0.849 | 47% | 0.471 | S | S | * | . | trans | -77.7 | 103.3 | 165.2 | -86.1 | -171.2 | 173.7 | -176.6 | 1.2 | 110.7 | ||||
| 253 | G | 48.7 | Very low | 53.8 | Low | 42 Ų | 42 | 82.7 Ų | 82.7 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | trans | -67.3 | 137.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | K251 I274 | K251-G253 PolarHBondContact O-N 3.29Å; G253-I274 CarbonylContact C-O 3.22Å; G253-I274 WeakPolarHBondContact CA-O 3.47Å | ||
| 254 | S | 58.7 | Low | 55.4 | Low | 62 Ų | 62 | 81.4 Ų | 81.4 | 43% | 0.434 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 136.2 | 175.9 | -74.7 | 0 | 0 | 0 | 0 | 111.3 | V256 I274 | S254-V256 PolarHBondContact O-N 3.45Å; S254-I274 PolarHBondContact N-O 3.03Å; S254-I274 PolarHBondContact O-N 3.38Å |
| 255 | L | 70.3 | Confident | 56.9 | Low | 92 Ų | 92 | 80.4 Ų | 80.4 | 48% | 0.482 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 113.3 | 174.1 | -91.2 | 158.4 | 0 | 0 | 0 | 110.7 | I237 L271 P273 | I237-L255 HydrophobicContact CD1-CD1 4.27Å; L255-L271 HydrophobicContact CD2-CB 4.28Å; L255-L271 HydrophobicContact CD2-CD2 4.41Å; L255-P273 HydrophobicContact CD2-CB 4.42Å |
| 256 | V | 75.5 | Confident | 58.1 | Low | 5 Ų | 5 | 79.6 Ų | 79.6 | 3% | 0.03 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 142 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | S254 I258 L271 L272 I274 L348 I364 | S254-V256 PolarHBondContact O-N 3.45Å; V256-I258 HydrophobicContact CG1-CD1 4.13Å; V256-L271 WeakPolarHBondContact O-CA 3.33Å; V256-L272 PolarHBondContact N-O 3.32Å; V256-L272 PolarHBondContact O-N 3.35Å; V256-I274 HydrophobicContact CB-CD1 3.65Å; V256-I274 HydrophobicContact CB-CG1 4.15Å; V256-I274 HydrophobicContact CG1-CD1 4.13Å; V256-I274 HydrophobicContact CG2-CB 4.37Å; V256-I274 HydrophobicContact CG2-CD1 3.97Å; V256-I274 HydrophobicContact CG2-CG1 4.22Å; V256-L348 HydrophobicContact CG2-CD2 4.4Å; V256-I364 HydrophobicContact CG1-CD1 3.65Å |
| 257 | K | 80.5 | Confident | 59.5 | Low | 78 Ų | 78 | 78.9 Ų | 78.9 | 34% | 0.339 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 125.4 | 167.2 | -70.8 | -171.5 | 176.2 | -166 | 0 | 109.5 | Y259 Y269 I270 L271 | K257-Y259 HydrophobicContact CB-CD2 4.18Å; K257-Y259 HydrophobicContact CB-CE2 3.68Å; K257-Y259 HydrophobicContact CD-CE2 3.94Å; K257-Y259 WeakPolarHBondContact CD-OH 3.34Å; K257-Y259 HydrophobicContact CG-CE2 4.5Å; K257-Y269 HydrophobicContact CB-CD2 4.12Å; K257-Y269 HydrophobicContact CD-CD2 3.56Å; K257-Y269 HydrophobicContact CD-CE2 3.59Å; K257-Y269 HydrophobicContact CD-CG 4.07Å; K257-Y269 HydrophobicContact CG-CD2 3.68Å; K257-Y269 HydrophobicContact CG-CE2 3.88Å; K257-Y269 HydrophobicContact CG-CG 4.5Å; K257-Y269 PolarHBondContact NZ-OH 3.25Å; K257-I270 WeakPolarHBondContact CA-O 3.44Å; K257-L271 HydrophobicContact CG-CD2 3.79Å; K257-L271 HydrophobicContact CG-CG 4.19Å |
| 258 | I | 87.7 | Confident | 61.1 | Low | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.8 | 164.8 | -50 | -60.2 | 0 | 0 | 0 | 107 | V256 Y269 I270 L272 I274 I283 T287 L304 I364 I366 | V256-I258 HydrophobicContact CG1-CD1 4.13Å; I258-Y269 CarbonylContact O-C 3.46Å; I258-Y269 VanDerWaalsContact O-CA 3.29Å; I258-Y269 WeakPolarHBondContact O-CA 3.03Å; I258-Y269 WeakPolarHBondContact O-CB 3.04Å; I258-I270 HydrophobicContact CB-CG1 4.1Å; I258-I270 PolarHBondContact N-O 2.93Å; I258-I270 PolarHBondContact O-N 2.77Å; I258-L272 HydrophobicContact CG1-CD1 4.15Å; I258-I274 HydrophobicContact CD1-CD1 4.22Å; I258-I283 HydrophobicContact CD1-CG2 3.76Å; I258-I283 HydrophobicContact CG1-CG2 3.94Å; I258-T287 HydrophobicContact CG2-CG2 4.02Å; I258-L304 HydrophobicContact CD1-CD2 4.35Å; I258-L304 HydrophobicContact CG2-CD2 3.71Å; I258-I364 HydrophobicContact CD1-CB 4.2Å; I258-I364 HydrophobicContact CD1-CG2 3.55Å; I258-I366 HydrophobicContact CG2-CB 4.34Å; I258-I366 HydrophobicContact CG2-CG2 4.48Å |
| 259 | Y | 80.6 | Confident | 63.6 | Low | 40 Ų | 40 | 73.6 Ų | 73.6 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.8 | -178.7 | -75 | -103.8 | 0 | 0 | 0 | 110.3 | K257 P268 Y269 I363 I364 Q365 I366 V939 | K257-Y259 HydrophobicContact CB-CD2 4.18Å; K257-Y259 HydrophobicContact CB-CE2 3.68Å; K257-Y259 HydrophobicContact CD-CE2 3.94Å; K257-Y259 WeakPolarHBondContact CD-OH 3.34Å; K257-Y259 HydrophobicContact CG-CE2 4.5Å; Y259-P268 WeakPolarHBondContact CA-O 3.37Å; Y259-Y269 HydrophobicContact CE1-CD1 4.16Å; Y259-Y269 HydrophobicContact CE1-CG 4.32Å; Y259-I363 HydrophobicContact CD2-CG2 3.74Å; Y259-I363 HydrophobicContact CE2-CG2 4Å; Y259-I363 HydrophobicContact CG-CG2 4.27Å; Y259-I364 PolarHBondContact N-O 2.78Å; Y259-Q365 CarbonylContact O-C 3.42Å; Y259-Q365 WeakPolarHBondContact O-CA 3.23Å; Y259-I366 PolarHBondContact O-N 3.49Å; Y259-V939 HydrophobicContact CD1-CG1 4.46Å |
| 260 | G | 81.1 | Confident | 65.9 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -133.2 | 29.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S262 L263 N264 P268 Y291 | G260-S262 PolarHBondContact O-N 3.04Å; G260-S262 VanDerWaalsContact O-N 3.14Å; G260-L263 WeakPolarHBondContact O-CA 3.41Å; G260-L263 WeakPolarHBondContact O-CB 3.34Å; G260-L263 PolarHBondContact O-N 2.61Å; G260-N264 PolarHBondContact O-N 3.31Å; G260-P268 PolarHBondContact N-O 2.84Å; G260-Y291 WeakPolarHBondContact CA-OH 3.34Å | ||
| 261 | S | 67.4 | Low | 68.1 | Low | 42 Ų | 42 | 65.3 Ų | 65.3 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.3 | 172.7 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | P268 | S261-P268 PolarHBondContact N-O 2.87Š|
| 262 | S | 70.1 | Confident | 70.3 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 53% | 0.531 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24.3 | 168.8 | 47.7 | 0 | 0 | 0 | 0 | 114.5 | G260 I366 | G260-S262 PolarHBondContact O-N 3.04Å; G260-S262 VanDerWaalsContact O-N 3.14Å; S262-I366 PolarHBondContact OG-O 3.16Å |
| 263 | L | 77.7 | Confident | 72.1 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -50.2 | 177.1 | -64.8 | 174.9 | 0 | 0 | 0 | 111.1 | G260 T287 L288 Y291 L293 Y302 I366 | G260-L263 WeakPolarHBondContact O-CA 3.41Å; G260-L263 WeakPolarHBondContact O-CB 3.34Å; G260-L263 PolarHBondContact O-N 2.61Å; L263-T287 HydrophobicContact CD1-CG2 4.38Å; L263-L288 HydrophobicContact CD1-CD2 3.87Å; L263-L288 HydrophobicContact CD2-CD2 4.03Å; L263-Y291 HydrophobicContact CD1-CD2 3.66Å; L263-Y291 HydrophobicContact CD1-CE2 4.05Å; L263-Y291 HydrophobicContact CD1-CG 4.26Å; L263-L293 HydrophobicContact CB-CD1 3.86Å; L263-L293 HydrophobicContact CD1-CD1 4.33Å; L263-L293 HydrophobicContact CD2-CD1 3.92Å; L263-L293 HydrophobicContact CG-CD1 4.27Å; L263-Y302 HydrophobicContact CD2-CD1 4.12Å; L263-Y302 HydrophobicContact CD2-CE1 3.33Å; L263-I366 HydrophobicContact CD1-CD1 4.23Å; L263-I366 HydrophobicContact CD1-CG2 3.62Å; L263-I366 HydrophobicContact CG-CG2 4.14Å |
| 264 | N | 70.9 | Confident | 73.6 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | trans | -145.1 | 108.9 | 179.2 | -177.2 | -5.7 | 0 | 0 | 0 | 110.4 | G260 T266 I267 Y291 | G260-N264 PolarHBondContact O-N 3.31Å; N264-T266 PolarHBondContact ND2-OG1 2.98Å; N264-T266 PolarHBondContact O-N 2.97Å; N264-T266 PolarHBondContact OD1-N 2.7Å; N264-T266 PolarHBondContact OD1-OG1 2.7Å; N264-I267 CarbonylContact O-C 3.31Å; N264-I267 PolarHBondContact O-N 3.28Å; N264-Y291 HydrophobicContact CB-CD1 3.89Å; N264-Y291 HydrophobicContact CB-CE1 3.94Å | ||
| 265 | P | 64.4 | Low | 74.7 | Confident | 103 Ų | 103 | 47.4 Ų | 47.4 | 67% | 0.669 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.9 | -179.2 | 28.4 | -34.9 | 0 | 0 | 0 | 113.8 | I267 | P265-I267 VanDerWaalsContact C-N 3.33Š|
| 266 | T | 55.5 | Low | 75.1 | Confident | 114 Ų | 114 | 45.8 Ų | 45.8 | 70% | 0.699 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -20.7 | 177.3 | 71.7 | 0 | 0 | 0 | 0 | 112.9 | N264 | N264-T266 PolarHBondContact ND2-OG1 2.98Å; N264-T266 PolarHBondContact O-N 2.97Å; N264-T266 PolarHBondContact OD1-N 2.7Å; N264-T266 PolarHBondContact OD1-OG1 2.7Å |
| 267 | I | 67 | Low | 75.3 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -127.4 | 78.4 | 176 | -54.9 | 177.5 | 0 | 0 | 0 | 107.8 | N264 P265 Y269 Y291 | N264-I267 CarbonylContact O-C 3.31Å; N264-I267 PolarHBondContact O-N 3.28Å; P265-I267 VanDerWaalsContact C-N 3.33Å; I267-Y269 PolarHBondContact O-N 2.91Å; I267-Y269 VanDerWaalsContact O-N 3.08Å; I267-Y291 HydrophobicContact CB-CE1 4.03Å; I267-Y291 HydrophobicContact CG2-CE1 4.12Å; I267-Y291 VanDerWaalsContact O-CE1 3.23Å; I267-Y291 WeakPolarHBondContact O-CE1 3.21Å; I267-Y291 PolarHBondContact O-OH 3.2Å |
| 268 | P | 61.8 | Low | 75.4 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | trans | -66.9 | -16.6 | -165.1 | 23.3 | -34.3 | 0 | 0 | 0 | 115.5 | Y259 G260 S261 V939 | Y259-P268 WeakPolarHBondContact CA-O 3.37Å; G260-P268 PolarHBondContact N-O 2.84Å; S261-P268 PolarHBondContact N-O 2.87Å; P268-V939 HydrophobicContact CB-CG1 4.16Å | ||
| 269 | Y | 83.7 | Confident | 75.5 | Confident | 87 Ų | 87 | 48.7 Ų | 48.7 | 34% | 0.341 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 157.8 | 172.5 | 71.5 | -87.9 | 0 | 0 | 0 | 111.7 | K257 I258 Y259 I267 L271 | K257-Y269 HydrophobicContact CB-CD2 4.12Å; K257-Y269 HydrophobicContact CD-CD2 3.56Å; K257-Y269 HydrophobicContact CD-CE2 3.59Å; K257-Y269 HydrophobicContact CD-CG 4.07Å; K257-Y269 HydrophobicContact CG-CD2 3.68Å; K257-Y269 HydrophobicContact CG-CE2 3.88Å; K257-Y269 HydrophobicContact CG-CG 4.5Å; K257-Y269 PolarHBondContact NZ-OH 3.25Å; I258-Y269 CarbonylContact O-C 3.46Å; I258-Y269 VanDerWaalsContact O-CA 3.29Å; I258-Y269 WeakPolarHBondContact O-CA 3.03Å; I258-Y269 WeakPolarHBondContact O-CB 3.04Å; Y259-Y269 HydrophobicContact CE1-CD1 4.16Å; Y259-Y269 HydrophobicContact CE1-CG 4.32Å; I267-Y269 PolarHBondContact O-N 2.91Å; I267-Y269 VanDerWaalsContact O-N 3.08Å; Y269-L271 HydrophobicContact CE2-CD1 4.24Å; Y269-L271 HydrophobicContact CE2-CG 4.3Å |
| 270 | I | 76.5 | Confident | 75.9 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 159.8 | 169 | 58.6 | 162.7 | 0 | 0 | 0 | 110.8 | K257 I258 L272 T287 K290 Y291 | K257-I270 WeakPolarHBondContact CA-O 3.44Å; I258-I270 HydrophobicContact CB-CG1 4.1Å; I258-I270 PolarHBondContact N-O 2.93Å; I258-I270 PolarHBondContact O-N 2.77Å; I270-L272 HydrophobicContact CD1-CD1 3.98Å; I270-L272 HydrophobicContact CD1-CD2 4.38Å; I270-L272 HydrophobicContact CD1-CG 3.97Å; I270-T287 HydrophobicContact CD1-CG2 3.76Å; I270-T287 HydrophobicContact CG1-CG2 4.39Å; I270-K290 HydrophobicContact CB-CD 4.17Å; I270-K290 HydrophobicContact CD1-CB 3.86Å; I270-K290 HydrophobicContact CD1-CD 4.01Å; I270-K290 HydrophobicContact CG2-CB 4.26Å; I270-K290 HydrophobicContact CG2-CD 4.35Å; I270-Y291 HydrophobicContact CD1-CE2 4.44Å; I270-Y291 HydrophobicContact CG1-CE2 4.26Å; I270-Y291 HydrophobicContact CG2-CD2 4.41Å; I270-Y291 HydrophobicContact CG2-CE1 4.36Å; I270-Y291 HydrophobicContact CG2-CE2 3.82Å |
| 271 | L | 78.9 | Confident | 76.2 | Confident | 44 Ų | 44 | 49 Ų | 49 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.1 | 170.1 | -80.8 | 151 | 0 | 0 | 0 | 109.8 | L255 V256 K257 Y269 K290 | L255-L271 HydrophobicContact CD2-CB 4.28Å; L255-L271 HydrophobicContact CD2-CD2 4.41Å; V256-L271 WeakPolarHBondContact O-CA 3.33Å; K257-L271 HydrophobicContact CG-CD2 3.79Å; K257-L271 HydrophobicContact CG-CG 4.19Å; Y269-L271 HydrophobicContact CE2-CD1 4.24Å; Y269-L271 HydrophobicContact CE2-CG 4.3Å; L271-K290 PolarHBondContact O-NZ 3.31Å |
| 272 | L | 81.1 | Confident | 77.2 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.8 | 171.6 | -68.9 | 174.3 | 0 | 0 | 0 | 109.4 | V256 I258 I270 I274 I283 W286 K290 | V256-L272 PolarHBondContact N-O 3.32Å; V256-L272 PolarHBondContact O-N 3.35Å; I258-L272 HydrophobicContact CG1-CD1 4.15Å; I270-L272 HydrophobicContact CD1-CD1 3.98Å; I270-L272 HydrophobicContact CD1-CD2 4.38Å; I270-L272 HydrophobicContact CD1-CG 3.97Å; L272-I274 HydrophobicContact CB-CD1 4.43Å; L272-I274 HydrophobicContact CB-CG1 4.11Å; L272-I283 HydrophobicContact CD1-CG2 4.07Å; L272-W286 HydrophobicContact CD1-CB 3.81Å; L272-W286 HydrophobicContact CD2-CB 4Å; L272-K290 HydrophobicContact CD2-CD 3.95Å |
| 273 | P | 77 | Confident | 78.1 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.6 | 161.8 | 32.1 | -29.7 | 0 | 0 | 0 | 108.1 | L255 | L255-P273 HydrophobicContact CD2-CB 4.42Å |
| 274 | I | 80.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134 | -175.6 | -50.4 | -170.5 | 0 | 0 | 0 | 108.7 | G253 S254 V256 I258 L272 D278 I283 L348 | G253-I274 CarbonylContact C-O 3.22Å; G253-I274 WeakPolarHBondContact CA-O 3.47Å; S254-I274 PolarHBondContact N-O 3.03Å; S254-I274 PolarHBondContact O-N 3.38Å; V256-I274 HydrophobicContact CB-CD1 3.65Å; V256-I274 HydrophobicContact CB-CG1 4.15Å; V256-I274 HydrophobicContact CG1-CD1 4.13Å; V256-I274 HydrophobicContact CG2-CB 4.37Å; V256-I274 HydrophobicContact CG2-CD1 3.97Å; V256-I274 HydrophobicContact CG2-CG1 4.22Å; I258-I274 HydrophobicContact CD1-CD1 4.22Å; L272-I274 HydrophobicContact CB-CD1 4.43Å; L272-I274 HydrophobicContact CB-CG1 4.11Å; I274-D278 WeakPolarHBondContact CA-OD2 3.42Å; I274-D278 HydrophobicContact CG2-CB 3.79Å; I274-I283 HydrophobicContact CD1-CD1 3.97Å; I274-I283 HydrophobicContact CD1-CG1 4.09Å; I274-I283 HydrophobicContact CD1-CG2 3.98Å; I274-I283 HydrophobicContact CG2-CD1 3.69Å; I274-I283 HydrophobicContact CG2-CG1 4.21Å; I274-L348 HydrophobicContact CB-CD1 4.15Å; I274-L348 HydrophobicContact CG2-CD1 4.11Å; I274-L348 HydrophobicContact CG2-CG 4.47Å; I274-L348 WeakPolarHBondContact O-CD1 3.41Å |
| 275 | S | 81.2 | Confident | 79.6 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | trans | -95.7 | 164.7 | 173.3 | 101.1 | 0 | 0 | 0 | 0 | 112.3 | N277 D278 | S275-N277 PolarHBondContact O-N 3.02Å; S275-N277 PolarHBondContact OG-N 3.06Å; S275-N277 VanDerWaalsContact OG-N 3.08Å; S275-N277 PolarHBondContact OG-ND2 2.85Å; S275-D278 VanDerWaalsContact CB-OD1 3.27Å; S275-D278 WeakPolarHBondContact CB-OD1 3.13Å; S275-D278 VanDerWaalsContact N-CG 3.27Å; S275-D278 PolarHBondContact N-OD2 3.1Å; S275-D278 PolarHBondContact O-N 2.82Å; S275-D278 VanDerWaalsContact O-N 3.17Å; S275-D278 PolarHBondContact OG-OD1 3.02Å | ||
| 276 | T | 79.2 | Confident | 80.7 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 36% | 0.356 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 8 | 173.9 | 46.8 | 0 | 0 | 0 | 0 | 114.5 | C346 L348 | T276-C346 PolarHBondContact O-SG 3.01Å; T276-L348 HydrophobicContact CG2-CB 4.25Å |
| 277 | N | 78.9 | Confident | 82.3 | Confident | 89 Ų | 89 | 37.4 Ų | 37.4 | 48% | 0.476 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -5.4 | 177 | -41 | -88.4 | 0 | 0 | 0 | 112 | S275 | S275-N277 PolarHBondContact O-N 3.02Å; S275-N277 PolarHBondContact OG-N 3.06Å; S275-N277 VanDerWaalsContact OG-N 3.08Å; S275-N277 PolarHBondContact OG-ND2 2.85Å |
| 278 | D | 82.6 | Confident | 83.4 | Confident | 23 Ų | 23 | 33.2 Ų | 33.2 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | trans | -86.7 | 120.8 | -172.9 | -58.3 | 4.6 | 0 | 0 | 0 | 109.3 | I274 S275 I283 W286 | I274-D278 WeakPolarHBondContact CA-OD2 3.42Å; I274-D278 HydrophobicContact CG2-CB 3.79Å; S275-D278 VanDerWaalsContact CB-OD1 3.27Å; S275-D278 WeakPolarHBondContact CB-OD1 3.13Å; S275-D278 VanDerWaalsContact N-CG 3.27Å; S275-D278 PolarHBondContact N-OD2 3.1Å; S275-D278 PolarHBondContact O-N 2.82Å; S275-D278 VanDerWaalsContact O-N 3.17Å; S275-D278 PolarHBondContact OG-OD1 3.02Å; D278-I283 HydrophobicContact CB-CD1 4.33Å; D278-I283 HydrophobicContact CB-CG1 4.44Å; D278-W286 HydrophobicContact CB-CZ3 4.36Å; D278-W286 WeakPolarHBondContact OD2-CZ3 3.35Å | ||
| 279 | T | 89.8 | Confident | 84.5 | Confident | 31 Ų | 31 | 37 Ų | 37 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -86 | 158.8 | -176.5 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | E281 Q282 I283 D343 K344 D345 | T279-E281 VanDerWaalsContact C-N 3.26Å; T279-E281 PolarHBondContact O-N 2.87Å; T279-Q282 PolarHBondContact O-N 2.99Å; T279-I283 WeakPolarHBondContact O-CD1 3.46Å; T279-I283 WeakPolarHBondContact O-CG1 2.84Å; T279-I283 PolarHBondContact O-N 2.72Å; T279-I283 VanDerWaalsContact O-N 3.15Å; T279-D343 WeakPolarHBondContact CB-O 3.44Å; T279-D343 PolarHBondContact OG1-O 3.05Å; T279-K344 WeakPolarHBondContact CG2-O 3.25Å; T279-D345 CarbonylContact C-O 3.58Å; T279-D345 WeakPolarHBondContact CA-O 3.47Å |
| 280 | A | 88.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -52 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q282 I283 V284 L304 L341 H342 D345 V347 | A280-Q282 VanDerWaalsContact C-N 3.33Å; A280-Q282 PolarHBondContact O-N 3.29Å; A280-I283 PolarHBondContact O-N 2.74Å; A280-V284 WeakPolarHBondContact O-CG2 3.15Å; A280-V284 PolarHBondContact O-N 2.99Å; A280-L304 HydrophobicContact CB-CD1 4.09Å; A280-L341 HydrophobicContact CB-CB 4.35Å; A280-H342 VanDerWaalsContact CB-O 3.29Å; A280-H342 WeakPolarHBondContact CB-O 3.42Å; A280-D345 PolarHBondContact N-O 3.04Å; A280-V347 HydrophobicContact CB-CG2 4.36Å |
| 281 | E | 89 | Confident | 84.8 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 21% | 0.206 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.5 | -45.5 | 175 | -167.3 | -152.2 | 174 | 0 | 0 | 111.9 | R162 K163 T279 V284 L285 D343 | R162-E281 IonicContact CZ-OE1 3.3Å; R162-E281 IonicContact CZ-OE2 2.81Å; R162-E281 IonicContact NH1-OE2 2.64Å; R162-E281 PolarHBondContact NH1-OE2 3.2Å; R162-E281 IonicContact NH2-OE1 2.74Å; R162-E281 PolarHBondContact NH2-OE1 3.08Å; R162-E281 IonicContact NH2-OE2 3.83Å; R162-E281 PolarHBondContact NH2-OE2 3.24Å; K163-E281 IonicContact NZ-OE1 3.2Å; K163-E281 PolarHBondContact NZ-OE1 2.92Å; T279-E281 VanDerWaalsContact C-N 3.26Å; T279-E281 PolarHBondContact O-N 2.87Å; E281-V284 PolarHBondContact O-N 3.42Å; E281-L285 HydrophobicContact CG-CD1 4.1Å; E281-L285 VanDerWaalsContact O-CD1 3.24Å; E281-L285 WeakPolarHBondContact O-CD1 3.47Å; E281-L285 PolarHBondContact O-N 2.98Å; E281-D343 HydrophobicContact CB-CB 4.31Å; E281-D343 WeakPolarHBondContact CB-O 3.08Å; E281-D343 PolarHBondContact N-O 3.03Å |
| 282 | Q | 86.8 | Confident | 84.8 | Confident | 53 Ų | 53 | 42.8 Ų | 42.8 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | -178.5 | -62.1 | -175 | 37.4 | 0 | 0 | 111.4 | T279 A280 L285 W286 | T279-Q282 PolarHBondContact O-N 2.99Å; A280-Q282 VanDerWaalsContact C-N 3.33Å; A280-Q282 PolarHBondContact O-N 3.29Å; Q282-L285 PolarHBondContact O-N 2.86Å; Q282-W286 PolarHBondContact O-N 3.16Å |
| 283 | I | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.4 | -34.5 | 179.9 | -60.3 | 155.4 | 0 | 0 | 0 | 110.6 | I258 L272 I274 D278 T279 A280 W286 T287 L304 V347 | I258-I283 HydrophobicContact CD1-CG2 3.76Å; I258-I283 HydrophobicContact CG1-CG2 3.94Å; L272-I283 HydrophobicContact CD1-CG2 4.07Å; I274-I283 HydrophobicContact CD1-CD1 3.97Å; I274-I283 HydrophobicContact CD1-CG1 4.09Å; I274-I283 HydrophobicContact CD1-CG2 3.98Å; I274-I283 HydrophobicContact CG2-CD1 3.69Å; I274-I283 HydrophobicContact CG2-CG1 4.21Å; D278-I283 HydrophobicContact CB-CD1 4.33Å; D278-I283 HydrophobicContact CB-CG1 4.44Å; T279-I283 WeakPolarHBondContact O-CD1 3.46Å; T279-I283 WeakPolarHBondContact O-CG1 2.84Å; T279-I283 PolarHBondContact O-N 2.72Å; T279-I283 VanDerWaalsContact O-N 3.15Å; A280-I283 PolarHBondContact O-N 2.74Å; I283-W286 HydrophobicContact CG1-CE3 4.45Å; I283-T287 VanDerWaalsContact O-CB 3.25Å; I283-T287 WeakPolarHBondContact O-CB 3.43Å; I283-T287 PolarHBondContact O-N 3.17Å; I283-T287 PolarHBondContact O-OG1 3.14Å; I283-L304 HydrophobicContact CB-CD1 3.75Å; I283-L304 HydrophobicContact CG2-CD1 3.64Å; I283-V347 HydrophobicContact CD1-CB 3.93Å; I283-V347 HydrophobicContact CD1-CG2 3.42Å; I283-V347 VanDerWaalsContact CD1-CG2 3.42Å |
| 284 | V | 91.5 | Very high | 84.8 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 169.7 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | A280 E281 T287 L288 P299 L304 I366 | A280-V284 WeakPolarHBondContact O-CG2 3.15Å; A280-V284 PolarHBondContact O-N 2.99Å; E281-V284 PolarHBondContact O-N 3.42Å; V284-T287 WeakPolarHBondContact O-CB 3.45Å; V284-T287 PolarHBondContact O-N 3.08Å; V284-T287 VanDerWaalsContact O-N 3.16Å; V284-L288 HydrophobicContact CG1-CD1 3.92Å; V284-L288 PolarHBondContact O-N 3.11Å; V284-P299 HydrophobicContact CG1-CB 4.29Å; V284-L304 HydrophobicContact CG2-CD1 4.04Å; V284-L304 HydrophobicContact CG2-CG 3.75Å; V284-I366 HydrophobicContact CG1-CD1 4.09Å; V284-I366 HydrophobicContact CG2-CD1 4.37Å |
| 285 | L | 88.7 | Confident | 84.5 | Confident | 46 Ų | 46 | 48.3 Ų | 48.3 | 24% | 0.241 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.9 | -54.4 | 176.2 | -96 | 94.3 | 0 | 0 | 0 | 111.6 | E281 Q282 T287 L288 E289 I294 P299 | E281-L285 HydrophobicContact CG-CD1 4.1Å; E281-L285 VanDerWaalsContact O-CD1 3.24Å; E281-L285 WeakPolarHBondContact O-CD1 3.47Å; E281-L285 PolarHBondContact O-N 2.98Å; Q282-L285 PolarHBondContact O-N 2.86Å; L285-T287 PolarHBondContact O-N 2.87Å; L285-T287 VanDerWaalsContact O-N 3.13Å; L285-L288 PolarHBondContact O-N 2.95Å; L285-E289 VanDerWaalsContact O-CB 3.25Å; L285-E289 WeakPolarHBondContact O-CB 3.42Å; L285-E289 PolarHBondContact O-N 3.4Å; L285-I294 HydrophobicContact CB-CD1 4.4Å; L285-I294 HydrophobicContact CD2-CD1 4.38Å; L285-I294 HydrophobicContact CG-CD1 4.09Å; L285-P299 HydrophobicContact CD1-CB 3.89Å; L285-P299 HydrophobicContact CD1-CG 4.33Å; L285-P299 HydrophobicContact CG-CB 4.17Å; L285-P299 HydrophobicContact CG-CG 4.15Å |
| 286 | W | 88.2 | Confident | 84.1 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -23.7 | 178.1 | -65.4 | -27.1 | 0 | 0 | 0 | 113.4 | L272 D278 Q282 I283 K290 | L272-W286 HydrophobicContact CD1-CB 3.81Å; L272-W286 HydrophobicContact CD2-CB 4Å; D278-W286 HydrophobicContact CB-CZ3 4.36Å; D278-W286 WeakPolarHBondContact OD2-CZ3 3.35Å; Q282-W286 PolarHBondContact O-N 3.16Å; I283-W286 HydrophobicContact CG1-CE3 4.45Å; W286-K290 WeakPolarHBondContact O-CB 3.12Å; W286-K290 PolarHBondContact O-N 2.94Å; W286-K290 VanDerWaalsContact O-N 3.17Å |
| 287 | T | 89.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.4 | -52.5 | 174.4 | -61.5 | 0 | 0 | 0 | 0 | 111 | I258 L263 I270 I283 V284 L285 E289 K290 Y291 I366 | I258-T287 HydrophobicContact CG2-CG2 4.02Å; L263-T287 HydrophobicContact CD1-CG2 4.38Å; I270-T287 HydrophobicContact CD1-CG2 3.76Å; I270-T287 HydrophobicContact CG1-CG2 4.39Å; I283-T287 VanDerWaalsContact O-CB 3.25Å; I283-T287 WeakPolarHBondContact O-CB 3.43Å; I283-T287 PolarHBondContact O-N 3.17Å; I283-T287 PolarHBondContact O-OG1 3.14Å; V284-T287 WeakPolarHBondContact O-CB 3.45Å; V284-T287 PolarHBondContact O-N 3.08Å; V284-T287 VanDerWaalsContact O-N 3.16Å; L285-T287 PolarHBondContact O-N 2.87Å; L285-T287 VanDerWaalsContact O-N 3.13Å; T287-E289 VanDerWaalsContact C-N 3.3Å; T287-E289 PolarHBondContact O-N 3.37Å; T287-K290 PolarHBondContact O-N 3Å; T287-Y291 HydrophobicContact CG2-CD2 3.91Å; T287-Y291 HydrophobicContact CG2-CE2 3.89Å; T287-Y291 VanDerWaalsContact O-CD2 3.24Å; T287-Y291 WeakPolarHBondContact O-CD2 3.39Å; T287-Y291 PolarHBondContact O-N 2.82Å; T287-Y291 VanDerWaalsContact O-N 3.11Å; T287-I366 HydrophobicContact CG2-CB 4.29Å; T287-I366 HydrophobicContact CG2-CD1 3.76Å; T287-I366 HydrophobicContact CG2-CG2 3.86Å |
| 288 | L | 89.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -36.2 | 177.9 | -67.7 | 166.7 | 0 | 0 | 0 | 111.9 | L263 V284 L285 Y291 N292 L293 I294 P299 Y302 I366 | L263-L288 HydrophobicContact CD1-CD2 3.87Å; L263-L288 HydrophobicContact CD2-CD2 4.03Å; V284-L288 HydrophobicContact CG1-CD1 3.92Å; V284-L288 PolarHBondContact O-N 3.11Å; L285-L288 PolarHBondContact O-N 2.95Å; L288-Y291 PolarHBondContact O-N 2.93Å; L288-N292 PolarHBondContact O-N 2.91Å; L288-L293 HydrophobicContact CD2-CB 4.08Å; L288-L293 PolarHBondContact O-N 3.1Å; L288-I294 HydrophobicContact CB-CD1 3.97Å; L288-I294 PolarHBondContact O-N 2.85Å; L288-P299 HydrophobicContact CD1-CB 3.9Å; L288-P299 HydrophobicContact CD1-CG 4.08Å; L288-Y302 HydrophobicContact CD1-CD2 3.87Å; L288-Y302 HydrophobicContact CD1-CE2 4.46Å; L288-Y302 HydrophobicContact CD1-CG 4.4Å; L288-Y302 HydrophobicContact CD2-CD2 4.08Å; L288-Y302 HydrophobicContact CD2-CE2 4.06Å; L288-Y302 HydrophobicContact CD2-CG 4.46Å; L288-I366 HydrophobicContact CD2-CD1 4.39Å; L288-I366 HydrophobicContact CG-CD1 4.22Å |
| 289 | E | 85.4 | Confident | 84.2 | Confident | 109 Ų | 109 | 49.6 Ų | 49.6 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 170.9 | -175.3 | 179.3 | -160.6 | 0 | 0 | 111.3 | L285 T287 Y291 N292 I294 | L285-E289 VanDerWaalsContact O-CB 3.25Å; L285-E289 WeakPolarHBondContact O-CB 3.42Å; L285-E289 PolarHBondContact O-N 3.4Å; T287-E289 VanDerWaalsContact C-N 3.3Å; T287-E289 PolarHBondContact O-N 3.37Å; E289-Y291 PolarHBondContact O-N 3.31Å; E289-N292 PolarHBondContact O-N 2.73Å; E289-N292 PolarHBondContact O-OD1 3.42Å; E289-I294 HydrophobicContact CB-CB 4.46Å |
| 290 | K | 82.6 | Confident | 83.7 | Confident | 117 Ų | 117 | 54.6 Ų | 54.6 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.3 | -16.4 | 176.6 | -96 | -162.1 | 171.8 | -168.9 | 0 | 115.7 | I270 L271 L272 W286 T287 | I270-K290 HydrophobicContact CB-CD 4.17Å; I270-K290 HydrophobicContact CD1-CB 3.86Å; I270-K290 HydrophobicContact CD1-CD 4.01Å; I270-K290 HydrophobicContact CG2-CB 4.26Å; I270-K290 HydrophobicContact CG2-CD 4.35Å; L271-K290 PolarHBondContact O-NZ 3.31Å; L272-K290 HydrophobicContact CD2-CD 3.95Å; W286-K290 WeakPolarHBondContact O-CB 3.12Å; W286-K290 PolarHBondContact O-N 2.94Å; W286-K290 VanDerWaalsContact O-N 3.17Å; T287-K290 PolarHBondContact O-N 3Å |
| 291 | Y | 82.7 | Confident | 83.5 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 3.1 | 172.5 | -79.9 | -70.5 | 0 | 0 | 0 | 112.8 | G260 L263 N264 I267 I270 T287 L288 E289 L293 | G260-Y291 WeakPolarHBondContact CA-OH 3.34Å; L263-Y291 HydrophobicContact CD1-CD2 3.66Å; L263-Y291 HydrophobicContact CD1-CE2 4.05Å; L263-Y291 HydrophobicContact CD1-CG 4.26Å; N264-Y291 HydrophobicContact CB-CD1 3.89Å; N264-Y291 HydrophobicContact CB-CE1 3.94Å; I267-Y291 HydrophobicContact CB-CE1 4.03Å; I267-Y291 HydrophobicContact CG2-CE1 4.12Å; I267-Y291 VanDerWaalsContact O-CE1 3.23Å; I267-Y291 WeakPolarHBondContact O-CE1 3.21Å; I267-Y291 PolarHBondContact O-OH 3.2Å; I270-Y291 HydrophobicContact CD1-CE2 4.44Å; I270-Y291 HydrophobicContact CG1-CE2 4.26Å; I270-Y291 HydrophobicContact CG2-CD2 4.41Å; I270-Y291 HydrophobicContact CG2-CE1 4.36Å; I270-Y291 HydrophobicContact CG2-CE2 3.82Å; T287-Y291 HydrophobicContact CG2-CD2 3.91Å; T287-Y291 HydrophobicContact CG2-CE2 3.89Å; T287-Y291 VanDerWaalsContact O-CD2 3.24Å; T287-Y291 WeakPolarHBondContact O-CD2 3.39Å; T287-Y291 PolarHBondContact O-N 2.82Å; T287-Y291 VanDerWaalsContact O-N 3.11Å; L288-Y291 PolarHBondContact O-N 2.93Å; E289-Y291 PolarHBondContact O-N 3.31Å; Y291-L293 PolarHBondContact O-N 3.07Å |
| 292 | N | 79.3 | Confident | 83.5 | Confident | 128 Ų | 128 | 56 Ų | 56 | 68% | 0.684 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 31.9 | -171.1 | -66.6 | 7 | 0 | 0 | 0 | 113.5 | L288 E289 | L288-N292 PolarHBondContact O-N 2.91Å; E289-N292 PolarHBondContact O-N 2.73Å; E289-N292 PolarHBondContact O-OD1 3.42Å |
| 293 | L | 81.3 | Confident | 83.7 | Confident | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | trans | -104.2 | -7 | -179.7 | -70.7 | 176.3 | 0 | 0 | 0 | 113.8 | L263 L288 Y291 S295 H296 V297 | L263-L293 HydrophobicContact CB-CD1 3.86Å; L263-L293 HydrophobicContact CD1-CD1 4.33Å; L263-L293 HydrophobicContact CD2-CD1 3.92Å; L263-L293 HydrophobicContact CG-CD1 4.27Å; L288-L293 HydrophobicContact CD2-CB 4.08Å; L288-L293 PolarHBondContact O-N 3.1Å; Y291-L293 PolarHBondContact O-N 3.07Å; L293-S295 PolarHBondContact O-N 2.58Å; L293-S295 VanDerWaalsContact O-N 3.12Å; L293-H296 PolarHBondContact O-N 1.88Å; L293-V297 HydrophobicContact CB-CG2 4.23Å; L293-V297 HydrophobicContact CD2-CG2 4.4Å; L293-V297 PolarHBondContact O-N 3.3Å; L293-V297 VanDerWaalsContact O-N 3.11Å | ||
| 294 | I | 77.7 | Confident | 83.7 | Confident | 73 Ų | 73 | 54 Ų | 54 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.9 | -178.6 | -156.6 | 73.6 | 0 | 0 | 0 | 113.7 | L285 L288 E289 P299 | L285-I294 HydrophobicContact CB-CD1 4.4Å; L285-I294 HydrophobicContact CD2-CD1 4.38Å; L285-I294 HydrophobicContact CG-CD1 4.09Å; L288-I294 HydrophobicContact CB-CD1 3.97Å; L288-I294 PolarHBondContact O-N 2.85Å; E289-I294 HydrophobicContact CB-CB 4.46Å; I294-P299 HydrophobicContact CD1-CG 3.84Å |
| 295 | S | 72.6 | Confident | 83.4 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 61% | 0.608 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -17.2 | 175.7 | 44.2 | 0 | 0 | 0 | 0 | 114.3 | L293 | L293-S295 PolarHBondContact O-N 2.58Å; L293-S295 VanDerWaalsContact O-N 3.12Å |
| 296 | H | 72.8 | Confident | 83.2 | Confident | 122 Ų | 122 | 52 Ų | 52 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -12.3 | -167.2 | -61.1 | -62.2 | 0 | 0 | 0 | 114.4 | L293 | L293-H296 PolarHBondContact O-N 1.88Š|
| 297 | V | 80.6 | Confident | 82.9 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 26% | 0.255 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -144.9 | 140.7 | -179.3 | -138.9 | 0 | 0 | 0 | 0 | 111.2 | L293 P299 Y302 | L293-V297 HydrophobicContact CB-CG2 4.23Å; L293-V297 HydrophobicContact CD2-CG2 4.4Å; L293-V297 PolarHBondContact O-N 3.3Å; L293-V297 VanDerWaalsContact O-N 3.11Å; V297-P299 WeakPolarHBondContact O-CD 3.26Å; V297-Y302 HydrophobicContact CB-CE2 3.9Å; V297-Y302 HydrophobicContact CG1-CE2 3.65Å |
| 298 | D | 79.3 | Confident | 82.5 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | trans | -70.1 | 123.3 | 179.8 | -170.3 | -25.6 | 0 | 0 | 0 | 110.2 | K166 R300 D301 | K166-D298 WeakPolarHBondContact CE-OD2 3.43Å; K166-D298 IonicContact NZ-OD2 3.98Å; K166-D298 PolarHBondContact NZ-OD2 3.12Å; D298-R300 PolarHBondContact O-N 3.06Å; D298-R300 VanDerWaalsContact OD1-CB 3.24Å; D298-R300 WeakPolarHBondContact OD1-CB 3.28Å; D298-R300 WeakPolarHBondContact OD1-CD 2.48Å; D298-R300 WeakPolarHBondContact OD1-CG 3.19Å; D298-R300 PolarHBondContact OD1-N 2.88Å; D298-D301 WeakPolarHBondContact O-CB 3.18Å; D298-D301 PolarHBondContact O-N 3.12Å | ||
| 299 | P | 82.6 | Confident | 81.7 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -57.6 | -22.6 | 176.7 | -26.6 | 36.4 | 0 | 0 | 0 | 114.1 | V284 L285 L288 I294 V297 D301 Y302 | V284-P299 HydrophobicContact CG1-CB 4.29Å; L285-P299 HydrophobicContact CD1-CB 3.89Å; L285-P299 HydrophobicContact CD1-CG 4.33Å; L285-P299 HydrophobicContact CG-CB 4.17Å; L285-P299 HydrophobicContact CG-CG 4.15Å; L288-P299 HydrophobicContact CD1-CB 3.9Å; L288-P299 HydrophobicContact CD1-CG 4.08Å; I294-P299 HydrophobicContact CD1-CG 3.84Å; V297-P299 WeakPolarHBondContact O-CD 3.26Å; P299-D301 PolarHBondContact O-N 3.03Å; P299-Y302 PolarHBondContact O-N 2.86Å |
| 300 | R | 79.3 | Confident | 80.4 | Confident | 137 Ų | 137 | 49 Ų | 49 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -68 | -23.5 | 175.7 | -59.9 | 169.5 | -173.3 | -133.7 | 4.9 | 112.6 | D164 D298 Y302 R369 | D164-R300 IonicContact OD2-CZ 2.66Å; D164-R300 IonicContact OD2-NE 2.74Å; D164-R300 IonicContact OD2-NH2 3.39Å; D164-R300 PolarHBondContact OD2-NH2 3.33Å; D298-R300 PolarHBondContact O-N 3.06Å; D298-R300 VanDerWaalsContact OD1-CB 3.24Å; D298-R300 WeakPolarHBondContact OD1-CB 3.28Å; D298-R300 WeakPolarHBondContact OD1-CD 2.48Å; D298-R300 WeakPolarHBondContact OD1-CG 3.19Å; D298-R300 PolarHBondContact OD1-N 2.88Å; R300-Y302 PolarHBondContact O-N 3.19Å; R300-R369 VanDerWaalsContact O-CD 3.28Å; R300-R369 WeakPolarHBondContact O-CD 3.41Å; R300-R369 PolarHBondContact O-NE 2.88Å |
| 301 | D | 85.2 | Confident | 79 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -79.3 | -2.6 | 177.6 | -64.3 | -30 | 0 | 0 | 0 | 112.4 | D298 P299 H368 R369 | D298-D301 WeakPolarHBondContact O-CB 3.18Å; D298-D301 PolarHBondContact O-N 3.12Å; P299-D301 PolarHBondContact O-N 3.03Å; D301-H368 CarbonylContact O-C 3.57Å; D301-H368 VanDerWaalsContact O-CA 3.27Å; D301-H368 WeakPolarHBondContact O-CA 3.43Å; D301-H368 PolarHBondContact O-CD2 2.96Å; D301-R369 PolarHBondContact O-N 3.39Å |
| 302 | Y | 89.6 | Confident | 77.2 | Confident | 27 Ų | 27 | 55 Ų | 55 | 11% | 0.106 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 150.6 | 177.7 | -66.9 | -86.7 | 0 | 0 | 0 | 113.2 | L263 L288 V297 P299 R300 I366 R367 H368 R369 | L263-Y302 HydrophobicContact CD2-CD1 4.12Å; L263-Y302 HydrophobicContact CD2-CE1 3.33Å; L288-Y302 HydrophobicContact CD1-CD2 3.87Å; L288-Y302 HydrophobicContact CD1-CE2 4.46Å; L288-Y302 HydrophobicContact CD1-CG 4.4Å; L288-Y302 HydrophobicContact CD2-CD2 4.08Å; L288-Y302 HydrophobicContact CD2-CE2 4.06Å; L288-Y302 HydrophobicContact CD2-CG 4.46Å; V297-Y302 HydrophobicContact CB-CE2 3.9Å; V297-Y302 HydrophobicContact CG1-CE2 3.65Å; P299-Y302 PolarHBondContact O-N 2.86Å; R300-Y302 PolarHBondContact O-N 3.19Å; Y302-I366 HydrophobicContact CD1-CD1 4.35Å; Y302-I366 HydrophobicContact CD1-CG1 3.99Å; Y302-I366 HydrophobicContact CG-CD1 4.31Å; Y302-I366 HydrophobicContact CG-CG1 4.32Å; Y302-R367 CarbonylContact C-O 3.53Å; Y302-R367 VanDerWaalsContact CA-O 3.27Å; Y302-R367 WeakPolarHBondContact CA-O 3.42Å; Y302-R367 WeakPolarHBondContact CD1-O 3.19Å; Y302-H368 HydrophobicContact CD1-CB 4.12Å; Y302-H368 HydrophobicContact CE1-CB 3.81Å; Y302-H368 AromaticContact CE1-CD2 3.98Å; Y302-H368 AromaticContact CZ-CD2 3.79Å; Y302-R369 VanDerWaalsContact O-CZ 3.26Å; Y302-R369 PolarHBondContact O-NE 2.88Å; Y302-R369 PolarHBondContact O-NH2 3.35Å |
| 303 | C | 89.8 | Confident | 75 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 9% | 0.088 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 166.6 | 171.6 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | T340 I366 R367 R369 | C303-T340 HydrophobicContact CB-CG2 4.07Å; C303-I366 WeakPolarHBondContact O-CA 3.34Å; C303-R367 PolarHBondContact N-O 3.2Å; C303-R367 PolarHBondContact O-N 3.24Å; C303-R369 HydrophobicContact CB-CG 3.93Å |
| 304 | L | 89.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.1 | 170.7 | -71.7 | 164 | 0 | 0 | 0 | 109.9 | I258 A280 I283 V284 L341 V347 I364 Q365 I366 | I258-L304 HydrophobicContact CD1-CD2 4.35Å; I258-L304 HydrophobicContact CG2-CD2 3.71Å; A280-L304 HydrophobicContact CB-CD1 4.09Å; I283-L304 HydrophobicContact CB-CD1 3.75Å; I283-L304 HydrophobicContact CG2-CD1 3.64Å; V284-L304 HydrophobicContact CG2-CD1 4.04Å; V284-L304 HydrophobicContact CG2-CG 3.75Å; L304-L341 HydrophobicContact CB-CB 4.37Å; L304-L341 HydrophobicContact CB-CD1 4.03Å; L304-L341 WeakPolarHBondContact O-CB 3.35Å; L304-L341 PolarHBondContact O-N 3.38Å; L304-V347 HydrophobicContact CD1-CG2 4.24Å; L304-I364 HydrophobicContact CB-CG2 4.48Å; L304-I364 HydrophobicContact CD2-CG2 3.94Å; L304-Q365 CarbonylContact C-O 3.13Å; L304-Q365 WeakPolarHBondContact CA-O 3.37Å; L304-I366 HydrophobicContact CD2-CB 4.22Å |
| 305 | V | 86.7 | Confident | 70.3 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.5 | 176.9 | -179 | 0 | 0 | 0 | 0 | 108.4 | V307 E338 I339 I364 Q365 R367 | V305-V307 HydrophobicContact CG1-CG2 4.45Å; V305-E338 HydrophobicContact CG1-CB 3.89Å; V305-E338 HydrophobicContact CG1-CG 4.24Å; V305-I339 CarbonylContact C-O 3.25Å; V305-I339 WeakPolarHBondContact CA-O 3.09Å; V305-I364 WeakPolarHBondContact O-CA 3.42Å; V305-Q365 PolarHBondContact N-O 2.88Å; V305-Q365 PolarHBondContact O-N 3.04Å; V305-R367 HydrophobicContact CG2-CB 4.31Å; V305-R367 HydrophobicContact CG2-CG 4.32Å |
| 306 | M | 83.5 | Confident | 68.3 | Low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 107.2 | 171.8 | -166 | 177.1 | -53.3 | 0 | 0 | 109.1 | E338 I339 L341 V347 F350 R351 I354 N362 I363 I364 | M306-E338 WeakPolarHBondContact O-CA 3.43Å; M306-I339 PolarHBondContact N-O 3.11Å; M306-I339 PolarHBondContact O-N 2.95Å; M306-L341 HydrophobicContact CB-CD1 4.11Å; M306-L341 HydrophobicContact CE-CD1 3.98Å; M306-L341 HydrophobicContact CE-CD2 4.19Å; M306-V347 HydrophobicContact CE-CG1 4.27Å; M306-F350 HydrophobicContact CE-CB 4.08Å; M306-R351 HydrophobicContact CE-CB 4.04Å; M306-R351 HydrophobicContact SD-CB 4.36Å; M306-I354 HydrophobicContact SD-CD1 3.78Å; M306-N362 HydrophobicContact CG-CB 3.79Å; M306-N362 HydrophobicContact SD-CB 3.74Å; M306-I363 CarbonylContact C-O 3.59Å; M306-I363 WeakPolarHBondContact CA-O 3.31Å; M306-I364 HydrophobicContact CE-CG1 4.43Å; M306-I364 HydrophobicContact CG-CG1 4.18Å |
| 307 | V | 81.6 | Confident | 66.3 | Low | 15 Ų | 15 | 54.9 Ų | 54.9 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.4 | 174.5 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | V305 L309 E338 N362 I363 Q365 | V305-V307 HydrophobicContact CG1-CG2 4.45Å; V307-L309 HydrophobicContact CG1-CD2 4.25Å; V307-L309 HydrophobicContact CG1-CG 4.39Å; V307-E338 HydrophobicContact CB-CG 4.47Å; V307-E338 HydrophobicContact CG1-CG 4.18Å; V307-E338 HydrophobicContact CG2-CG 4.17Å; V307-E338 WeakPolarHBondContact CG2-OE1 3.31Å; V307-N362 WeakPolarHBondContact O-CA 3.4Å; V307-I363 HydrophobicContact CB-CB 4.35Å; V307-I363 PolarHBondContact N-O 3.42Å; V307-I363 PolarHBondContact O-N 2.9Å; V307-Q365 HydrophobicContact CG2-CG 4.16Å |
| 308 | N | 80.7 | Confident | 63.7 | Low | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.7 | 178.3 | -65.9 | -39.8 | 0 | 0 | 0 | 109.8 | L331 V335 E336 K337 I339 V360 S361 N362 | N308-L331 HydrophobicContact CB-CD1 4.07Å; N308-L331 HydrophobicContact CB-CD2 4.26Å; N308-V335 HydrophobicContact CB-CG1 4.02Å; N308-E336 WeakPolarHBondContact CB-O 3.39Å; N308-E336 PolarHBondContact ND2-O 2.88Å; N308-K337 PolarHBondContact N-O 2.86Å; N308-I339 WeakPolarHBondContact ND2-CD1 2.85Å; N308-V360 HydrophobicContact CB-CG1 3.9Å; N308-S361 WeakPolarHBondContact CA-O 3.28Å; N308-N362 PolarHBondContact OD1-ND2 2.74Å |
| 309 | L | 72.2 | Confident | 61.3 | Low | 63 Ų | 63 | 59.2 Ų | 59.2 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.3 | -176.6 | -64.2 | 176 | 0 | 0 | 0 | 110 | V307 S361 I363 | V307-L309 HydrophobicContact CG1-CD2 4.25Å; V307-L309 HydrophobicContact CG1-CG 4.39Å; L309-S361 PolarHBondContact N-O 2.83Å; L309-S361 PolarHBondContact O-N 3.01Å; L309-S361 PolarHBondContact O-OG 2.83Å; L309-I363 HydrophobicContact CD1-CD1 3.56Å; L309-I363 HydrophobicContact CD1-CG1 4.03Å |
| 310 | P | 59.4 | Low | 58.7 | Low | 37 Ų | 37 | 62.8 Ų | 62.8 | 24% | 0.24 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 140.8 | 173.3 | 26.4 | -33.2 | 0 | 0 | 0 | 110.5 | R312 E329 | P310-R312 PolarHBondContact O-N 2.93Å; P310-E329 HydrophobicContact CB-CB 4.35Å; P310-E329 HydrophobicContact CG-CB 3.81Å |
| 311 | L | 53.4 | Low | 56.2 | Low | 103 Ų | 103 | 62.9 Ų | 62.9 | 54% | 0.539 | 44% | 0.438 | S | S | . | . | trans | -73.5 | 90.7 | 176.8 | -84.7 | 164.5 | 0 | 0 | 0 | 110.3 | G313 G359 | L311-G313 PolarHBondContact O-N 2.96Å; L311-G359 WeakPolarHBondContact CB-O 3.13Å; L311-G359 PolarHBondContact N-O 2.78Å | ||
| 312 | R | 43.4 | Very low | 53.7 | Low | 159 Ų | 159 | 70 Ų | 70 | 60% | 0.6 | 47% | 0.47 | S | S | * | . | trans | -61.3 | 100.4 | 171.4 | -159.5 | 178.1 | -152.9 | -146.2 | 1.2 | 109.3 | P310 E329 E957 | P310-R312 PolarHBondContact O-N 2.93Å; R312-E329 IonicContact NE-OE1 3.85Å; R312-E957 IonicContact CZ-OE1 3.98Å; R312-E957 IonicContact NH1-OE1 2.85Å; R312-E957 PolarHBondContact NH1-OE1 3.32Å; R312-E957 VanDerWaalsContact NH1-OE1 3.09Å; R312-E957 IonicContact NH1-OE2 2.69Å; R312-E957 IonicContact NH2-OE1 2.61Å; R312-E957 PolarHBondContact NH2-OE1 2.87Å | ||
| 313 | G | 34.6 | Very low | 50.6 | Low | 77 Ų | 77 | 74.2 Ų | 74.2 | 79% | 0.794 | 50% | 0.502 | S | S | * | . | trans | -72.8 | 140.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L311 | L311-G313 PolarHBondContact O-N 2.96Š| ||
| 314 | G | 28.8 | Very low | 47.6 | Very low | 74 Ų | 74 | 77.1 Ų | 77.1 | 76% | 0.763 | 54% | 0.535 | S | S | * | . | trans | -135.2 | 99.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 315 | A | 30.5 | Very low | 44.6 | Very low | 85 Ų | 85 | 85.3 Ų | 85.3 | 70% | 0.702 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 54 | 133 | 176.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 316 | G | 30.3 | Very low | 41.8 | Very low | 60 Ų | 60 | 92.4 Ų | 92.4 | 62% | 0.619 | 61% | 0.613 | S | S | * | * | cis | 166.4 | 123.3 | -11.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 317 | V | 30.6 | Very low | 39.2 | Very low | 154 Ų | 154 | 96 Ų | 96 | 93% | 0.933 | 65% | 0.65 | S | S | * | * | trans | -134.7 | 138.5 | 163.9 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 318 | G | 27.4 | Very low | 36.9 | Very low | 82 Ų | 82 | 101.2 Ų | 101.2 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -79.8 | 152.2 | -159.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 319 | G | 27.5 | Very low | 35 | Very low | 79 Ų | 79 | 106.7 Ų | 106.7 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | trans | -174.1 | 99.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 320 | S | 28.7 | Very low | 34 | Very low | 101 Ų | 101 | 113.7 Ų | 113.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -15.4 | 124.5 | 175 | 172.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 321 | N | 27.1 | Very low | 34 | Very low | 139 Ų | 139 | 113.7 Ų | 113.7 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 41.2 | 116.1 | 139.7 | -53.2 | -59.4 | 0 | 0 | 0 | 120.3 | ||||
| 322 | H | 31.6 | Very low | 34.6 | Very low | 197 Ų | 197 | 111.1 Ų | 111.1 | 91% | 0.912 | 72% | 0.716 | S | S | * | * | -156.8 | 152.1 | 122.7 | -112 | -76.5 | 0 | 0 | 0 | 111.7 | |||||
| 323 | S | 25.9 | Very low | 35 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | -113.5 | 129.4 | -177.9 | 55.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 324 | G | 26.5 | Very low | 36.4 | Very low | 74 Ų | 74 | 112.1 Ų | 112.1 | 76% | 0.763 | 73% | 0.73 | S | S | * | * | trans | 151.4 | 106 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 325 | M | 26.6 | Very low | 38.2 | Very low | 173 Ų | 173 | 109.6 Ų | 109.6 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | 47.8 | 129.3 | 143 | -68.9 | 154.5 | 59.1 | 0 | 0 | 121.9 | ||||
| 326 | N | 26.8 | Very low | 40 | Very low | 153 Ų | 153 | 109.6 Ų | 109.6 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | 62.5 | 52.2 | 146.1 | -56.9 | -8.2 | 0 | 0 | 0 | 118.6 | ||||
| 327 | G | 28.5 | Very low | 42 | Very low | 76 Ų | 76 | 114 Ų | 114 | 78% | 0.784 | 69% | 0.687 | S | S | * | * | trans | -89.7 | 116.4 | 165 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 328 | V | 34 | Very low | 44.4 | Very low | 125 Ų | 125 | 110.6 Ų | 110.6 | 76% | 0.758 | 66% | 0.661 | S | S | * | * | trans | -78.6 | 122.3 | 161.5 | 174.8 | 0 | 0 | 0 | 0 | 107.8 | R330 | V328-R330 PolarHBondContact O-N 2.66Š| ||
| 329 | E | 41.5 | Very low | 46.9 | Very low | 115 Ų | 115 | 108 Ų | 108 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | trans | -61.2 | 100.3 | 176.8 | -66.6 | 179.7 | 169.7 | 0 | 0 | 110.3 | P310 R312 | P310-E329 HydrophobicContact CB-CB 4.35Å; P310-E329 HydrophobicContact CG-CB 3.81Å; R312-E329 IonicContact NE-OE1 3.85Å | ||
| 330 | R | 51.1 | Low | 49.6 | Very low | 211 Ų | 211 | 108.5 Ų | 108.5 | 80% | 0.796 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 141.6 | 173.9 | -73.3 | -179.3 | 172.6 | 176.9 | -2.8 | 109.9 | V328 | V328-R330 PolarHBondContact O-N 2.66Š|
| 331 | L | 58.6 | Low | 52.1 | Low | 36 Ų | 36 | 103.9 Ų | 103.9 | 19% | 0.188 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -64.5 | 155.9 | 167.4 | -70.4 | 166.2 | 0 | 0 | 0 | 110.3 | N308 V335 K337 V360 | N308-L331 HydrophobicContact CB-CD1 4.07Å; N308-L331 HydrophobicContact CB-CD2 4.26Å; L331-V335 HydrophobicContact CB-CB 4.44Å; L331-K337 HydrophobicContact CD1-CB 4.05Å; L331-K337 HydrophobicContact CD1-CG 4.28Å; L331-V360 HydrophobicContact CD2-CG1 4.26Å; L331-V360 HydrophobicContact CD2-CG2 4.33Å |
| 332 | P | 66.7 | Low | 54.8 | Low | 49 Ų | 49 | 103.7 Ų | 103.7 | 32% | 0.318 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 144 | 172 | -24.8 | 34.9 | 0 | 0 | 0 | 111.9 | G334 V335 V360 | P332-G334 PolarHBondContact O-N 2.87Å; P332-V335 HydrophobicContact CB-CG2 4.24Å; P332-V335 PolarHBondContact O-N 3.14Å; P332-V360 HydrophobicContact CG-CG2 3.83Å |
| 333 | Q | 50.7 | Low | 57.3 | Low | 174 Ų | 174 | 96.4 Ų | 96.4 | 81% | 0.813 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 131.9 | 176.8 | -86.1 | 179.9 | -34.3 | 0 | 0 | 110.6 | ||
| 334 | G | 64.5 | Low | 59.9 | Low | 84 Ų | 84 | 99.5 Ų | 99.5 | 87% | 0.866 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -7.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P332 | P332-G334 PolarHBondContact O-N 2.87Š|
| 335 | V | 67 | Low | 62.7 | Low | 20 Ų | 20 | 98 Ų | 98 | 12% | 0.121 | 52% | 0.518 | C | S | . | . | trans | -99.2 | 108.4 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | N308 L331 P332 I354 V360 | N308-V335 HydrophobicContact CB-CG1 4.02Å; L331-V335 HydrophobicContact CB-CB 4.44Å; P332-V335 HydrophobicContact CB-CG2 4.24Å; P332-V335 PolarHBondContact O-N 3.14Å; V335-I354 HydrophobicContact CG1-CG2 4.24Å; V335-V360 HydrophobicContact CG1-CG1 4.33Å; V335-V360 HydrophobicContact CG1-CG2 4.3Å; V335-V360 HydrophobicContact CG2-CG2 4.43Å | ||
| 336 | E | 67.4 | Low | 65.4 | Low | 86 Ų | 86 | 90.6 Ų | 90.6 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | trans | -65.7 | 148.4 | 175.1 | -63.4 | -169.1 | 130.4 | 0 | 0 | 112.2 | N308 I339 | N308-E336 WeakPolarHBondContact CB-O 3.39Å; N308-E336 PolarHBondContact ND2-O 2.88Å; E336-I339 HydrophobicContact CB-CG1 3.92Å | ||
| 337 | K | 74.3 | Confident | 67.9 | Low | 153 Ų | 153 | 83.4 Ų | 83.4 | 67% | 0.665 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -73.5 | -34.5 | -175.6 | -169.7 | -179.8 | 179.1 | -175.6 | 0 | 113.4 | N308 L331 | N308-K337 PolarHBondContact N-O 2.86Å; L331-K337 HydrophobicContact CD1-CB 4.05Å; L331-K337 HydrophobicContact CD1-CG 4.28Å |
| 338 | E | 79.6 | Confident | 70.1 | Confident | 81 Ų | 81 | 80.4 Ų | 80.4 | 38% | 0.379 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.9 | 167.2 | -67.8 | -161.7 | 140.1 | 0 | 0 | 108.6 | V305 M306 V307 R367 | V305-E338 HydrophobicContact CG1-CB 3.89Å; V305-E338 HydrophobicContact CG1-CG 4.24Å; M306-E338 WeakPolarHBondContact O-CA 3.43Å; V307-E338 HydrophobicContact CB-CG 4.47Å; V307-E338 HydrophobicContact CG1-CG 4.18Å; V307-E338 HydrophobicContact CG2-CG 4.17Å; V307-E338 WeakPolarHBondContact CG2-OE1 3.31Å; E338-R367 VanDerWaalsContact CD-NH1 3.32Å; E338-R367 IonicContact OE1-CZ 2.95Å; E338-R367 VanDerWaalsContact OE1-CZ 3.28Å; E338-R367 IonicContact OE1-NH1 3.51Å; E338-R367 PolarHBondContact OE1-NH1 3.44Å; E338-R367 VanDerWaalsContact OE1-NH1 3.15Å; E338-R367 IonicContact OE1-NH2 2.71Å; E338-R367 PolarHBondContact OE1-NH2 2.94Å; E338-R367 IonicContact OE2-CZ 3.77Å; E338-R367 IonicContact OE2-NH1 3.18Å; E338-R367 PolarHBondContact OE2-NH1 2.93Å; E338-R367 IonicContact OE2-NH2 3.28Å |
| 339 | I | 79.6 | Confident | 72.1 | Confident | 27 Ų | 27 | 80.9 Ų | 80.9 | 14% | 0.138 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.4 | 173.4 | -63.6 | 172.9 | 0 | 0 | 0 | 107.3 | V305 M306 N308 E336 L341 F350 I354 | V305-I339 CarbonylContact C-O 3.25Å; V305-I339 WeakPolarHBondContact CA-O 3.09Å; M306-I339 PolarHBondContact N-O 3.11Å; M306-I339 PolarHBondContact O-N 2.95Å; N308-I339 WeakPolarHBondContact ND2-CD1 2.85Å; E336-I339 HydrophobicContact CB-CG1 3.92Å; I339-L341 PolarHBondContact O-N 3.38Å; I339-F350 HydrophobicContact CG2-CE1 4.26Å; I339-I354 HydrophobicContact CD1-CD1 3.72Å |
| 340 | T | 84.5 | Confident | 73.7 | Confident | 90 Ų | 90 | 78 Ų | 78 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 117.5 | 170.9 | -58.9 | 0 | 0 | 0 | 0 | 108.6 | C303 | C303-T340 HydrophobicContact CB-CG2 4.07Å |
| 341 | L | 82 | Confident | 74.8 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131.2 | 179.4 | -70.7 | 152.2 | 0 | 0 | 0 | 109.8 | A280 L304 M306 I339 D345 V347 F350 | A280-L341 HydrophobicContact CB-CB 4.35Å; L304-L341 HydrophobicContact CB-CB 4.37Å; L304-L341 HydrophobicContact CB-CD1 4.03Å; L304-L341 WeakPolarHBondContact O-CB 3.35Å; L304-L341 PolarHBondContact O-N 3.38Å; M306-L341 HydrophobicContact CB-CD1 4.11Å; M306-L341 HydrophobicContact CE-CD1 3.98Å; M306-L341 HydrophobicContact CE-CD2 4.19Å; I339-L341 PolarHBondContact O-N 3.38Å; L341-D345 HydrophobicContact CB-CB 4.45Å; L341-D345 HydrophobicContact CD2-CB 3.97Å; L341-V347 HydrophobicContact CD1-CG1 4.1Å; L341-V347 HydrophobicContact CD1-CG2 4.08Å; L341-F350 HydrophobicContact CD2-CB 3.9Å; L341-F350 HydrophobicContact CD2-CD1 4.27Å; L341-F350 HydrophobicContact CD2-CD2 3.98Å; L341-F350 HydrophobicContact CD2-CG 3.79Å |
| 342 | H | 83.5 | Confident | 75.3 | Confident | 136 Ų | 136 | 74.2 Ų | 74.2 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 151.4 | 175.9 | -140.6 | -61.4 | 0 | 0 | 0 | 110.5 | A280 K344 D345 | A280-H342 VanDerWaalsContact CB-O 3.29Å; A280-H342 WeakPolarHBondContact CB-O 3.42Å; H342-K344 PolarHBondContact O-N 3.2Å; H342-D345 WeakPolarHBondContact CB-OD2 3.35Å; H342-D345 PolarHBondContact N-OD2 3.46Å; H342-D345 WeakPolarHBondContact O-CB 3.24Å; H342-D345 PolarHBondContact O-N 2.77Å |
| 343 | D | 83.2 | Confident | 75.4 | Confident | 43 Ų | 43 | 77.1 Ų | 77.1 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -25.1 | -175 | -70.3 | -65.1 | 0 | 0 | 0 | 116.3 | T279 E281 R369 | T279-D343 WeakPolarHBondContact CB-O 3.44Å; T279-D343 PolarHBondContact OG1-O 3.05Å; E281-D343 HydrophobicContact CB-CB 4.31Å; E281-D343 WeakPolarHBondContact CB-O 3.08Å; E281-D343 PolarHBondContact N-O 3.03Å; D343-R369 IonicContact OD1-CZ 3.17Å; D343-R369 IonicContact OD1-NH1 3Å; D343-R369 IonicContact OD1-NH2 3.9Å; D343-R369 PolarHBondContact OD1-NH2 3.44Å; D343-R369 IonicContact OD2-CZ 2.66Å; D343-R369 IonicContact OD2-NH1 3.19Å; D343-R369 PolarHBondContact OD2-NH1 3.06Å; D343-R369 IonicContact OD2-NH2 2.98Å; D343-R369 PolarHBondContact OD2-NH2 3.23Å |
| 344 | K | 82.3 | Confident | 76 | Confident | 180 Ų | 180 | 69.5 Ų | 69.5 | 78% | 0.783 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -8.7 | 178.8 | -65.7 | -174.7 | 178.6 | -179.7 | 0 | 113.9 | T279 H342 C346 | T279-K344 WeakPolarHBondContact CG2-O 3.25Å; H342-K344 PolarHBondContact O-N 3.2Å; K344-C346 PolarHBondContact O-N 2.94Å |
| 345 | D | 84 | Confident | 75.7 | Confident | 41 Ų | 41 | 72 Ų | 72 | 22% | 0.219 | 34% | 0.335 | C | S | . | . | trans | -69.7 | 131.8 | -174.3 | -67.2 | -14.7 | 0 | 0 | 0 | 111 | T279 A280 L341 H342 V347 F350 | T279-D345 CarbonylContact C-O 3.58Å; T279-D345 WeakPolarHBondContact CA-O 3.47Å; A280-D345 PolarHBondContact N-O 3.04Å; L341-D345 HydrophobicContact CB-CB 4.45Å; L341-D345 HydrophobicContact CD2-CB 3.97Å; H342-D345 WeakPolarHBondContact CB-OD2 3.35Å; H342-D345 PolarHBondContact N-OD2 3.46Å; H342-D345 WeakPolarHBondContact O-CB 3.24Å; H342-D345 PolarHBondContact O-N 2.77Å; D345-V347 PolarHBondContact O-N 2.96Å; D345-F350 HydrophobicContact CB-CD2 4.06Å; D345-F350 HydrophobicContact CB-CE2 4.27Å | ||
| 346 | C | 83 | Confident | 75.3 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 13% | 0.128 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -77.9 | 109 | 168.8 | 172.2 | 0 | 0 | 0 | 0 | 109 | T276 K344 L348 K349 F350 | T276-C346 PolarHBondContact O-SG 3.01Å; K344-C346 PolarHBondContact O-N 2.94Å; C346-L348 PolarHBondContact O-N 3.31Å; C346-L348 VanDerWaalsContact O-N 3.16Å; C346-K349 HydrophobicContact CB-CB 4.08Å; C346-K349 HydrophobicContact CB-CD 4.21Å; C346-K349 HydrophobicContact CB-CG 4.15Å; C346-K349 PolarHBondContact O-N 3.43Å; C346-K349 VanDerWaalsContact O-N 3.15Å; C346-K349 PolarHBondContact SG-N 3.37Å; C346-F350 PolarHBondContact O-N 2.95Å |
| 347 | V | 78.9 | Confident | 74.8 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.5 | -31.3 | -175.3 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | A280 I283 L304 M306 L341 D345 R351 I364 | A280-V347 HydrophobicContact CB-CG2 4.36Å; I283-V347 HydrophobicContact CD1-CB 3.93Å; I283-V347 HydrophobicContact CD1-CG2 3.42Å; I283-V347 VanDerWaalsContact CD1-CG2 3.42Å; L304-V347 HydrophobicContact CD1-CG2 4.24Å; M306-V347 HydrophobicContact CE-CG1 4.27Å; L341-V347 HydrophobicContact CD1-CG1 4.1Å; L341-V347 HydrophobicContact CD1-CG2 4.08Å; D345-V347 PolarHBondContact O-N 2.96Å; V347-R351 WeakPolarHBondContact O-CB 3.41Å; V347-R351 PolarHBondContact O-N 3.36Å; V347-R351 VanDerWaalsContact O-N 3.15Å; V347-I364 HydrophobicContact CG1-CD1 3.53Å; V347-I364 HydrophobicContact CG1-CG1 4.23Å; V347-I364 HydrophobicContact CG1-CG2 4.49Å |
| 348 | L | 75.2 | Confident | 73.6 | Confident | 13 Ų | 13 | 73.4 Ų | 73.4 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.2 | -49.1 | 174.2 | -82.8 | 166.6 | 0 | 0 | 0 | 113.3 | V256 I274 T276 C346 F350 R351 E352 | V256-L348 HydrophobicContact CG2-CD2 4.4Å; I274-L348 HydrophobicContact CB-CD1 4.15Å; I274-L348 HydrophobicContact CG2-CD1 4.11Å; I274-L348 HydrophobicContact CG2-CG 4.47Å; I274-L348 WeakPolarHBondContact O-CD1 3.41Å; T276-L348 HydrophobicContact CG2-CB 4.25Å; C346-L348 PolarHBondContact O-N 3.31Å; C346-L348 VanDerWaalsContact O-N 3.16Å; L348-F350 VanDerWaalsContact C-N 3.33Å; L348-F350 PolarHBondContact O-N 3.31Å; L348-R351 CarbonylContact O-C 3.53Å; L348-R351 WeakPolarHBondContact O-CB 3.15Å; L348-R351 PolarHBondContact O-N 2.88Å; L348-R351 VanDerWaalsContact O-N 3.1Å; L348-E352 WeakPolarHBondContact O-CG 3.3Å; L348-E352 PolarHBondContact O-N 3.48Å |
| 349 | K | 75.6 | Confident | 72.7 | Confident | 134 Ų | 134 | 71.2 Ų | 71.2 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -56.3 | -44.8 | 175.1 | -73.3 | -173.9 | 177.9 | -174.2 | 0 | 112.4 | C346 R351 E352 M353 | C346-K349 HydrophobicContact CB-CB 4.08Å; C346-K349 HydrophobicContact CB-CD 4.21Å; C346-K349 HydrophobicContact CB-CG 4.15Å; C346-K349 PolarHBondContact O-N 3.43Å; C346-K349 VanDerWaalsContact O-N 3.15Å; C346-K349 PolarHBondContact SG-N 3.37Å; K349-R351 VanDerWaalsContact C-N 3.33Å; K349-R351 PolarHBondContact O-N 3.39Å; K349-E352 PolarHBondContact O-N 2.86Å; K349-M353 VanDerWaalsContact O-CB 3.3Å; K349-M353 WeakPolarHBondContact O-CB 3.27Å; K349-M353 PolarHBondContact O-N 2.9Å |
| 350 | F | 75 | Confident | 72 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 24% | 0.237 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.4 | -118.4 | -81.4 | 0 | 0 | 0 | 112 | M306 I339 L341 D345 C346 L348 M353 I354 | M306-F350 HydrophobicContact CE-CB 4.08Å; I339-F350 HydrophobicContact CG2-CE1 4.26Å; L341-F350 HydrophobicContact CD2-CB 3.9Å; L341-F350 HydrophobicContact CD2-CD1 4.27Å; L341-F350 HydrophobicContact CD2-CD2 3.98Å; L341-F350 HydrophobicContact CD2-CG 3.79Å; D345-F350 HydrophobicContact CB-CD2 4.06Å; D345-F350 HydrophobicContact CB-CE2 4.27Å; C346-F350 PolarHBondContact O-N 2.95Å; L348-F350 VanDerWaalsContact C-N 3.33Å; L348-F350 PolarHBondContact O-N 3.31Å; F350-M353 HydrophobicContact CD1-CE 3.68Å; F350-M353 HydrophobicContact CE1-CE 3.6Å; F350-M353 HydrophobicContact CG-CE 4.21Å; F350-M353 HydrophobicContact CZ-CE 4.07Å; F350-M353 PolarHBondContact O-N 2.9Å; F350-I354 HydrophobicContact CD1-CD1 4.11Å; F350-I354 WeakPolarHBondContact O-CD1 3.48Å; F350-I354 WeakPolarHBondContact O-CG1 3.33Å; F350-I354 PolarHBondContact O-N 3.39Å |
| 351 | R | 74.6 | Confident | 71.3 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.6 | -34.6 | 176.9 | 173.6 | 173 | 167.9 | 158.3 | -2 | 113 | M306 V347 L348 K349 R355 | M306-R351 HydrophobicContact CE-CB 4.04Å; M306-R351 HydrophobicContact SD-CB 4.36Å; V347-R351 WeakPolarHBondContact O-CB 3.41Å; V347-R351 PolarHBondContact O-N 3.36Å; V347-R351 VanDerWaalsContact O-N 3.15Å; L348-R351 CarbonylContact O-C 3.53Å; L348-R351 WeakPolarHBondContact O-CB 3.15Å; L348-R351 PolarHBondContact O-N 2.88Å; L348-R351 VanDerWaalsContact O-N 3.1Å; K349-R351 VanDerWaalsContact C-N 3.33Å; K349-R351 PolarHBondContact O-N 3.39Å; R351-R355 VanDerWaalsContact O-CB 3.23Å; R351-R355 WeakPolarHBondContact O-CB 3.47Å; R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.09Å; R351-R355 VanDerWaalsContact O-N 3.08Å |
| 352 | E | 69.9 | Low | 71.2 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.4 | -46.6 | 174 | -73.6 | 172.4 | 141.2 | 0 | 0 | 110.5 | L348 K349 I354 R355 S356 | L348-E352 WeakPolarHBondContact O-CG 3.3Å; L348-E352 PolarHBondContact O-N 3.48Å; K349-E352 PolarHBondContact O-N 2.86Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 2.73Å; E352-R355 CarbonylContact O-C 3.26Å; E352-R355 WeakPolarHBondContact O-CA 3.49Å; E352-R355 PolarHBondContact O-N 3.4Å; E352-S356 PolarHBondContact O-N 2.96Å; E352-S356 PolarHBondContact O-OG 3.32Å |
| 353 | M | 68.2 | Low | 71 | Confident | 110 Ų | 110 | 63.6 Ų | 63.6 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.5 | -39.1 | 175.9 | -176.2 | 179.2 | 73.4 | 0 | 0 | 113.4 | K349 F350 S356 | K349-M353 VanDerWaalsContact O-CB 3.3Å; K349-M353 WeakPolarHBondContact O-CB 3.27Å; K349-M353 PolarHBondContact O-N 2.9Å; F350-M353 HydrophobicContact CD1-CE 3.68Å; F350-M353 HydrophobicContact CE1-CE 3.6Å; F350-M353 HydrophobicContact CG-CE 4.21Å; F350-M353 HydrophobicContact CZ-CE 4.07Å; F350-M353 PolarHBondContact O-N 2.9Å; M353-S356 PolarHBondContact O-OG 3.05Å |
| 354 | I | 64.3 | Low | 71 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -76.6 | -30.4 | 175.1 | -63.9 | 162.3 | 0 | 0 | 0 | 111.3 | M306 V335 I339 F350 E352 N357 V360 N362 | M306-I354 HydrophobicContact SD-CD1 3.78Å; V335-I354 HydrophobicContact CG1-CG2 4.24Å; I339-I354 HydrophobicContact CD1-CD1 3.72Å; F350-I354 HydrophobicContact CD1-CD1 4.11Å; F350-I354 WeakPolarHBondContact O-CD1 3.48Å; F350-I354 WeakPolarHBondContact O-CG1 3.33Å; F350-I354 PolarHBondContact O-N 3.39Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 2.73Å; I354-N357 PolarHBondContact O-N 3.3Å; I354-V360 HydrophobicContact CG2-CB 4.13Å; I354-V360 HydrophobicContact CG2-CG1 3.73Å; I354-N362 VanDerWaalsContact CG2-ND2 3.33Å; I354-N362 WeakPolarHBondContact CG2-ND2 3.47Å |
| 355 | R | 58.4 | Low | 71.3 | Confident | 137 Ų | 137 | 55.5 Ų | 55.5 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -77.9 | -19.5 | 178.5 | -81.4 | 177.3 | 137.9 | -145.6 | -14 | 114.8 | R351 E352 N357 | R351-R355 VanDerWaalsContact O-CB 3.23Å; R351-R355 WeakPolarHBondContact O-CB 3.47Å; R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.09Å; R351-R355 VanDerWaalsContact O-N 3.08Å; E352-R355 CarbonylContact O-C 3.26Å; E352-R355 WeakPolarHBondContact O-CA 3.49Å; E352-R355 PolarHBondContact O-N 3.4Å; R355-N357 PolarHBondContact O-N 2.92Å |
| 356 | S | 58.5 | Low | 71.5 | Confident | 91 Ų | 91 | 53.6 Ų | 53.6 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.7 | 166.5 | 21.9 | 0 | 0 | 0 | 0 | 112.5 | E352 M353 S358 | E352-S356 PolarHBondContact O-N 2.96Å; E352-S356 PolarHBondContact O-OG 3.32Å; M353-S356 PolarHBondContact O-OG 3.05Å; S356-S358 PolarHBondContact O-N 3.33Å |
| 357 | N | 55.7 | Low | 71.5 | Confident | 82 Ų | 82 | 56.6 Ų | 56.6 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -82.6 | 103.5 | 168.1 | -68.2 | -7.8 | 0 | 0 | 0 | 109.4 | I354 R355 G359 | I354-N357 PolarHBondContact O-N 3.3Å; R355-N357 PolarHBondContact O-N 2.92Å; N357-G359 PolarHBondContact O-N 3.15Å |
| 358 | S | 50.4 | Low | 71.8 | Confident | 115 Ų | 115 | 59.7 Ų | 59.7 | 80% | 0.804 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 117.4 | -176.6 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | S356 | S356-S358 PolarHBondContact O-N 3.33Š|
| 359 | G | 60 | Low | 71.6 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 123.6 | -4.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116 | L311 N357 | L311-G359 WeakPolarHBondContact CB-O 3.13Å; L311-G359 PolarHBondContact N-O 2.78Å; N357-G359 PolarHBondContact O-N 3.15Å |
| 360 | V | 65.6 | Low | 70.7 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.3 | -178.4 | -171.6 | 0 | 0 | 0 | 0 | 112.7 | N308 L331 P332 V335 I354 | N308-V360 HydrophobicContact CB-CG1 3.9Å; L331-V360 HydrophobicContact CD2-CG1 4.26Å; L331-V360 HydrophobicContact CD2-CG2 4.33Å; P332-V360 HydrophobicContact CG-CG2 3.83Å; V335-V360 HydrophobicContact CG1-CG1 4.33Å; V335-V360 HydrophobicContact CG1-CG2 4.3Å; V335-V360 HydrophobicContact CG2-CG2 4.43Å; I354-V360 HydrophobicContact CG2-CB 4.13Å; I354-V360 HydrophobicContact CG2-CG1 3.73Å |
| 361 | S | 69.8 | Low | 69.4 | Low | 29 Ų | 29 | 64.9 Ų | 64.9 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 155.6 | 165.7 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | N308 L309 | N308-S361 WeakPolarHBondContact CA-O 3.28Å; L309-S361 PolarHBondContact N-O 2.83Å; L309-S361 PolarHBondContact O-N 3.01Å; L309-S361 PolarHBondContact O-OG 2.83Å |
| 362 | N | 78.2 | Confident | 67.3 | Low | 17 Ų | 17 | 66.4 Ų | 66.4 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.1 | -170.9 | -31.9 | 86.5 | 0 | 0 | 0 | 110.6 | M306 V307 N308 I354 | M306-N362 HydrophobicContact CG-CB 3.79Å; M306-N362 HydrophobicContact SD-CB 3.74Å; V307-N362 WeakPolarHBondContact O-CA 3.4Å; N308-N362 PolarHBondContact OD1-ND2 2.74Å; I354-N362 VanDerWaalsContact CG2-ND2 3.33Å; I354-N362 WeakPolarHBondContact CG2-ND2 3.47Å |
| 363 | I | 79.5 | Confident | 65.6 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 141.3 | 165.8 | -63.4 | -177.4 | 0 | 0 | 0 | 107.8 | Y259 M306 V307 L309 Q365 | Y259-I363 HydrophobicContact CD2-CG2 3.74Å; Y259-I363 HydrophobicContact CE2-CG2 4Å; Y259-I363 HydrophobicContact CG-CG2 4.27Å; M306-I363 CarbonylContact C-O 3.59Å; M306-I363 WeakPolarHBondContact CA-O 3.31Å; V307-I363 HydrophobicContact CB-CB 4.35Å; V307-I363 PolarHBondContact N-O 3.42Å; V307-I363 PolarHBondContact O-N 2.9Å; L309-I363 HydrophobicContact CD1-CD1 3.56Å; L309-I363 HydrophobicContact CD1-CG1 4.03Å; I363-Q365 HydrophobicContact CG2-CG 4.1Å |
| 364 | I | 84.5 | Confident | 64.1 | Low | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.6 | 178.3 | -63.4 | 152 | 0 | 0 | 0 | 108.3 | V256 I258 Y259 L304 V305 M306 V347 | V256-I364 HydrophobicContact CG1-CD1 3.65Å; I258-I364 HydrophobicContact CD1-CB 4.2Å; I258-I364 HydrophobicContact CD1-CG2 3.55Å; Y259-I364 PolarHBondContact N-O 2.78Å; L304-I364 HydrophobicContact CB-CG2 4.48Å; L304-I364 HydrophobicContact CD2-CG2 3.94Å; V305-I364 WeakPolarHBondContact O-CA 3.42Å; M306-I364 HydrophobicContact CE-CG1 4.43Å; M306-I364 HydrophobicContact CG-CG1 4.18Å; V347-I364 HydrophobicContact CG1-CD1 3.53Å; V347-I364 HydrophobicContact CG1-CG1 4.23Å; V347-I364 HydrophobicContact CG1-CG2 4.49Å |
| 365 | Q | 87.3 | Confident | 62.6 | Low | 51 Ų | 51 | 74.7 Ų | 74.7 | 24% | 0.238 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.2 | -178.9 | -55 | -170.1 | -11 | 0 | 0 | 110.6 | Y259 L304 V305 V307 I363 | Y259-Q365 CarbonylContact O-C 3.42Å; Y259-Q365 WeakPolarHBondContact O-CA 3.23Å; L304-Q365 CarbonylContact C-O 3.13Å; L304-Q365 WeakPolarHBondContact CA-O 3.37Å; V305-Q365 PolarHBondContact N-O 2.88Å; V305-Q365 PolarHBondContact O-N 3.04Å; V307-Q365 HydrophobicContact CG2-CG 4.16Å; I363-Q365 HydrophobicContact CG2-CG 4.1Å |
| 366 | I | 89.9 | Confident | 61.2 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.1 | 164.1 | -174.7 | 161.9 | 0 | 0 | 0 | 109.7 | I258 Y259 S262 L263 V284 T287 L288 Y302 C303 L304 | I258-I366 HydrophobicContact CG2-CB 4.34Å; I258-I366 HydrophobicContact CG2-CG2 4.48Å; Y259-I366 PolarHBondContact O-N 3.49Å; S262-I366 PolarHBondContact OG-O 3.16Å; L263-I366 HydrophobicContact CD1-CD1 4.23Å; L263-I366 HydrophobicContact CD1-CG2 3.62Å; L263-I366 HydrophobicContact CG-CG2 4.14Å; V284-I366 HydrophobicContact CG1-CD1 4.09Å; V284-I366 HydrophobicContact CG2-CD1 4.37Å; T287-I366 HydrophobicContact CG2-CB 4.29Å; T287-I366 HydrophobicContact CG2-CD1 3.76Å; T287-I366 HydrophobicContact CG2-CG2 3.86Å; L288-I366 HydrophobicContact CD2-CD1 4.39Å; L288-I366 HydrophobicContact CG-CD1 4.22Å; Y302-I366 HydrophobicContact CD1-CD1 4.35Å; Y302-I366 HydrophobicContact CD1-CG1 3.99Å; Y302-I366 HydrophobicContact CG-CD1 4.31Å; Y302-I366 HydrophobicContact CG-CG1 4.32Å; C303-I366 WeakPolarHBondContact O-CA 3.34Å; L304-I366 HydrophobicContact CD2-CB 4.22Å |
| 367 | R | 81.6 | Confident | 59.8 | Low | 82 Ų | 82 | 75.8 Ų | 75.8 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.6 | 177.4 | -69.3 | -165.7 | -174.8 | 155.9 | 9.1 | 111.2 | Y302 C303 V305 E338 | Y302-R367 CarbonylContact C-O 3.53Å; Y302-R367 VanDerWaalsContact CA-O 3.27Å; Y302-R367 WeakPolarHBondContact CA-O 3.42Å; Y302-R367 WeakPolarHBondContact CD1-O 3.19Å; C303-R367 PolarHBondContact N-O 3.2Å; C303-R367 PolarHBondContact O-N 3.24Å; V305-R367 HydrophobicContact CG2-CB 4.31Å; V305-R367 HydrophobicContact CG2-CG 4.32Å; E338-R367 VanDerWaalsContact CD-NH1 3.32Å; E338-R367 IonicContact OE1-CZ 2.95Å; E338-R367 VanDerWaalsContact OE1-CZ 3.28Å; E338-R367 IonicContact OE1-NH1 3.51Å; E338-R367 PolarHBondContact OE1-NH1 3.44Å; E338-R367 VanDerWaalsContact OE1-NH1 3.15Å; E338-R367 IonicContact OE1-NH2 2.71Å; E338-R367 PolarHBondContact OE1-NH2 2.94Å; E338-R367 IonicContact OE2-CZ 3.77Å; E338-R367 IonicContact OE2-NH1 3.18Å; E338-R367 PolarHBondContact OE2-NH1 2.93Å; E338-R367 IonicContact OE2-NH2 3.28Å |
| 368 | H | 85.3 | Confident | 58.5 | Low | 68 Ų | 68 | 81.9 Ų | 81.9 | 32% | 0.315 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.7 | 174 | -172.3 | -105.4 | 0 | 0 | 0 | 109.2 | D301 Y302 Y370 A371 | D301-H368 CarbonylContact O-C 3.57Å; D301-H368 VanDerWaalsContact O-CA 3.27Å; D301-H368 WeakPolarHBondContact O-CA 3.43Å; D301-H368 PolarHBondContact O-CD2 2.96Å; Y302-H368 HydrophobicContact CD1-CB 4.12Å; Y302-H368 HydrophobicContact CE1-CB 3.81Å; Y302-H368 AromaticContact CE1-CD2 3.98Å; Y302-H368 AromaticContact CZ-CD2 3.79Å; H368-Y370 PolarHBondContact O-N 3.3Å; H368-A371 HydrophobicContact CB-CB 4.1Å; H368-A371 WeakPolarHBondContact O-CB 3.18Å; H368-A371 PolarHBondContact O-N 2.8Å |
| 369 | R | 72.1 | Confident | 57.2 | Low | 93 Ų | 93 | 81.8 Ų | 81.8 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.7 | -175.3 | -62.4 | -173.2 | -160.6 | -148.7 | 4.7 | 113.4 | R300 D301 Y302 C303 D343 | R300-R369 VanDerWaalsContact O-CD 3.28Å; R300-R369 WeakPolarHBondContact O-CD 3.41Å; R300-R369 PolarHBondContact O-NE 2.88Å; D301-R369 PolarHBondContact O-N 3.39Å; Y302-R369 VanDerWaalsContact O-CZ 3.26Å; Y302-R369 PolarHBondContact O-NE 2.88Å; Y302-R369 PolarHBondContact O-NH2 3.35Å; C303-R369 HydrophobicContact CB-CG 3.93Å; D343-R369 IonicContact OD1-CZ 3.17Å; D343-R369 IonicContact OD1-NH1 3Å; D343-R369 IonicContact OD1-NH2 3.9Å; D343-R369 PolarHBondContact OD1-NH2 3.44Å; D343-R369 IonicContact OD2-CZ 2.66Å; D343-R369 IonicContact OD2-NH1 3.19Å; D343-R369 PolarHBondContact OD2-NH1 3.06Å; D343-R369 IonicContact OD2-NH2 2.98Å; D343-R369 PolarHBondContact OD2-NH2 3.23Å |
| 370 | Y | 55.4 | Low | 55.7 | Low | 142 Ų | 142 | 86.1 Ų | 86.1 | 56% | 0.557 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 14.9 | -179 | -50.9 | -77.5 | 0 | 0 | 0 | 113.3 | H368 V372 | H368-Y370 PolarHBondContact O-N 3.3Å; Y370-V372 VanDerWaalsContact C-N 3.26Å; Y370-V372 PolarHBondContact O-N 3.08Å |
| 371 | A | 47.8 | Very low | 53.8 | Low | 74 Ų | 74 | 92.5 Ų | 92.5 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | trans | -73.2 | 80 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | H368 | H368-A371 HydrophobicContact CB-CB 4.1Å; H368-A371 WeakPolarHBondContact O-CB 3.18Å; H368-A371 PolarHBondContact O-N 2.8Å | ||
| 372 | V | 31.2 | Very low | 51.7 | Low | 91 Ų | 91 | 95.9 Ų | 95.9 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | trans | -64.5 | 136.9 | 167.8 | -166.9 | 0 | 0 | 0 | 0 | 108.5 | Y370 | Y370-V372 VanDerWaalsContact C-N 3.26Å; Y370-V372 PolarHBondContact O-N 3.08Å | ||
| 373 | G | 34 | Very low | 49.1 | Very low | 48 Ų | 48 | 100.4 Ų | 100.4 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | trans | -62.6 | 168.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D375 G376 | G373-D375 PolarHBondContact O-N 2.79Å; G373-G376 PolarHBondContact O-N 3.16Å | ||
| 374 | K | 36.1 | Very low | 46.8 | Very low | 216 Ų | 216 | 104 Ų | 104 | 94% | 0.939 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -8.8 | 178.3 | -71.8 | -172.3 | 174 | -175.3 | 0 | 113.9 | ||
| 375 | D | 33.4 | Very low | 44 | Very low | 144 Ų | 144 | 108.6 Ų | 108.6 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 11.7 | -173.2 | -31.1 | -56.7 | 0 | 0 | 0 | 112.6 | G373 K377 | G373-D375 PolarHBondContact O-N 2.79Å; D375-K377 PolarHBondContact O-N 3.26Å |
| 376 | G | 28.6 | Very low | 40.9 | Very low | 61 Ų | 61 | 115.4 Ų | 115.4 | 63% | 0.629 | 63% | 0.629 | S | S | * | * | trans | 71.8 | -10.6 | 163 | 0 | 0 | 0 | 0 | 0 | 118.2 | G373 | G373-G376 PolarHBondContact O-N 3.16Š| ||
| 377 | K | 30 | Very low | 37.8 | Very low | 189 Ų | 189 | 120 Ų | 120 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 137.7 | -171.7 | -68.4 | -179.8 | -179.2 | 177.7 | 0 | 113.9 | D375 | D375-K377 PolarHBondContact O-N 3.26Š|
| 378 | R | 26.8 | Very low | 35.2 | Very low | 211 Ų | 211 | 124.1 Ų | 124.1 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 131.6 | -178.6 | -158.5 | -175.8 | -159.1 | -177.8 | 6.5 | 109.7 | ||
| 379 | P | 25.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 133.4 | 179.3 | 30.7 | -33.4 | 0 | 0 | 0 | 112.1 | ||
| 380 | P | 28.2 | Very low | 30.3 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 161.2 | 166 | 35.3 | -33.3 | 0 | 0 | 0 | 111.7 | ||
| 381 | L | 24.6 | Very low | 28.8 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 138.7 | 175.4 | -75.9 | 94.9 | 0 | 0 | 0 | 112.3 | ||
| 382 | T | 25.9 | Very low | 27.8 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | trans | 57.3 | 145.6 | 152.6 | 57.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 383 | S | 24 | Very low | 27.4 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | cis | -154.1 | 178.4 | 8.6 | -121.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 384 | P | 31.5 | Very low | 27.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -99 | 163.6 | -152.9 | 38 | -38.8 | 0 | 0 | 0 | 117.8 | ||||
| 385 | A | 24.8 | Very low | 26.8 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -143.9 | 165.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 386 | Y | 23 | Very low | 26.6 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | -134 | -177.7 | -170.1 | -123.3 | -93.8 | 0 | 0 | 0 | 111.6 | ||||
| 387 | S | 23.9 | Very low | 26.5 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | 81.1 | 160.8 | 163 | 84.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 388 | H | 26.8 | Very low | 26.2 | Very low | 168 Ų | 168 | 128 Ų | 128 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | cis | -152.1 | 142.9 | 1 | -130.3 | -64.9 | 0 | 0 | 0 | 107.6 | ||||
| 389 | V | 28.8 | Very low | 26.4 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | cis | 98 | 89.4 | 6.9 | -170.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 390 | P | 26.6 | Very low | 26.5 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | trans | -121.8 | 165.6 | 158.7 | 39.7 | -28.3 | 0 | 0 | 0 | 113.1 | ||||
| 391 | T | 24.4 | Very low | 26.4 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | cis | 94.4 | 124.3 | 2.9 | -51.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 392 | Q | 25.3 | Very low | 26.6 | Very low | 150 Ų | 150 | 122.2 Ų | 122.2 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | cis | -171.3 | 174.5 | -15.7 | -154.1 | -165.4 | 13.6 | 0 | 0 | 110.8 | ||||
| 393 | Q | 24.3 | Very low | 26.7 | Very low | 145 Ų | 145 | 121.1 Ų | 121.1 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | 71.4 | 144.1 | 161.8 | -61.5 | 162.9 | 38.8 | 0 | 0 | 117.4 | ||||
| 394 | V | 28.1 | Very low | 26.8 | Very low | 50 Ų | 50 | 118.2 Ų | 118.2 | 30% | 0.303 | 68% | 0.679 | S | S | . | * | cis | 69.9 | 109.8 | -9.5 | -175.2 | 0 | 0 | 0 | 0 | 120.6 | S1995 | V394-S1995 VanDerWaalsContact CG1-OG 3.29Å; V394-S1995 WeakPolarHBondContact CG1-OG 3.16Å | ||
| 395 | P | 29.5 | Very low | 26.4 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | trans | -137.4 | 128.3 | 141.7 | 36 | -20.8 | 0 | 0 | 0 | 114.5 | ||||
| 396 | I | 27.9 | Very low | 26.4 | Very low | 153 Ų | 153 | 111.4 Ų | 111.4 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | 91.5 | 116.1 | 79 | -68.8 | 159.2 | 0 | 0 | 0 | 116 | |||||
| 397 | S | 26.2 | Very low | 26.5 | Very low | 115 Ų | 115 | 104.8 Ų | 104.8 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | 173 | 161.7 | 156 | -82.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 398 | L | 25.3 | Very low | 26.5 | Very low | 129 Ų | 129 | 102.7 Ų | 102.7 | 68% | 0.675 | 60% | 0.596 | S | S | * | * | cis | -171.6 | 163.1 | -42.7 | -121 | 176.2 | 0 | 0 | 0 | 111.3 | ||||
| 399 | H | 30.8 | Very low | 26.3 | Very low | 155 Ų | 155 | 99 Ų | 99 | 72% | 0.718 | 59% | 0.589 | S | S | * | * | trans | 63.5 | 134 | 169.7 | -70.4 | -77.4 | 0 | 0 | 0 | 120.9 | ||||
| 400 | S | 27.3 | Very low | 26.1 | Very low | 80 Ų | 80 | 101.4 Ų | 101.4 | 56% | 0.559 | 59% | 0.592 | S | S | * | * | cis | -176.2 | 132.4 | -27.7 | 39.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 401 | N | 26.4 | Very low | 25.9 | Very low | 137 Ų | 137 | 102.4 Ų | 102.4 | 73% | 0.733 | 59% | 0.591 | S | S | * | * | -171.4 | 139.7 | 120.8 | -94.5 | -21.8 | 0 | 0 | 0 | 114.5 | |||||
| 402 | S | 27.1 | Very low | 25.8 | Very low | 92 Ų | 92 | 104.2 Ų | 104.2 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | trans | -85.8 | -176.5 | -171.8 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 403 | S | 28.5 | Very low | 25.6 | Very low | 78 Ų | 78 | 103.6 Ų | 103.6 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | cis | -135.3 | 174.7 | 4.1 | 63 | 0 | 0 | 0 | 0 | 109.6 | K1939 | S403-K1939 WeakPolarHBondContact O-CE 3.48Å; S403-K1939 PolarHBondContact O-NZ 3.42Å | ||
| 404 | S | 25.8 | Very low | 25.6 | Very low | 51 Ų | 51 | 103.2 Ų | 103.2 | 36% | 0.357 | 59% | 0.588 | S | S | . | * | cis | 77.1 | 131.3 | 16.5 | 68.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 405 | S | 24.1 | Very low | 25.4 | Very low | 49 Ų | 49 | 103.2 Ų | 103.2 | 34% | 0.343 | 60% | 0.597 | S | S | . | * | cis | -174 | -172.8 | -4.2 | 36.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 406 | S | 24.4 | Very low | 25.2 | Very low | 30 Ų | 30 | 105.2 Ų | 105.2 | 21% | 0.21 | 60% | 0.595 | C | S | . | * | trans | 108.9 | 172.7 | 146 | -54 | 0 | 0 | 0 | 0 | 123.4 | S1932 E1934 T1935 | S406-S1932 CarbonylContact C-O 3.5Å; S406-S1932 CarbonylContact O-C 3.52Å; S406-S1932 VanDerWaalsContact O-C 3.26Å; S406-S1932 PolarHBondContact O-N 3.08Å; S406-S1932 VanDerWaalsContact O-N 3.08Å; S406-S1932 VanDerWaalsContact O-O 3.08Å; S406-E1934 VanDerWaalsContact CB-C 3.45Å; S406-E1934 WeakPolarHBondContact CB-O 3.34Å; S406-T1935 VanDerWaalsContact CA-OG1 3.31Å; S406-T1935 WeakPolarHBondContact CA-OG1 3.38Å; S406-T1935 WeakPolarHBondContact CB-OG1 3.11Å; S406-T1935 VanDerWaalsContact OG-C 3.24Å; S406-T1935 PolarHBondContact OG-N 2.77Å; S406-T1935 PolarHBondContact OG-O 2.84Å; S406-T1935 PolarHBondContact OG-OG1 3.47Å | ||
| 407 | S | 24.8 | Very low | 25 | Very low | 55 Ų | 55 | 103.8 Ų | 103.8 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | B | Isolated β-bridge | trans | -139.7 | -168 | -161 | 73.5 | 0 | 0 | 0 | 0 | 117.1 | S1932 N1933 E1934 | S407-S1932 WeakPolarHBondContact CA-OG 3.41Å; S407-S1932 CarbonylContact O-C 3.56Å; S407-S1932 WeakPolarHBondContact O-CB 3.45Å; S407-N1933 CarbonylContact O-C 3.4Å; S407-N1933 VanDerWaalsContact O-C 3.31Å; S407-N1933 WeakPolarHBondContact O-CA 3.45Å; S407-N1933 PolarHBondContact O-N 3.16Å; S407-E1934 PolarHBondContact N-O 3.06Å; S407-E1934 PolarHBondContact O-N 2.84Å; S407-E1934 PolarHBondContact OG-O 2.71Å |
| 408 | S | 24.4 | Very low | 24.9 | Very low | 52 Ų | 52 | 104.4 Ų | 104.4 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | trans | 63.7 | 151.3 | 168.6 | -161.3 | 0 | 0 | 0 | 0 | 120.6 | E1934 | S408-E1934 WeakPolarHBondContact CB-OE2 3.5Å; S408-E1934 PolarHBondContact OG-OE2 3.47Å | ||
| 409 | C | 21.7 | Very low | 24.7 | Very low | 92 Ų | 92 | 103.1 Ų | 103.1 | 62% | 0.622 | 57% | 0.565 | S | S | * | * | cis | -155.3 | 164.1 | -38.4 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 410 | H | 24.5 | Very low | 24.3 | Very low | 162 Ų | 162 | 100.2 Ų | 100.2 | 75% | 0.75 | 55% | 0.552 | S | S | * | * | trans | 67.6 | 126.6 | 160.7 | -72.1 | 99 | 0 | 0 | 0 | 124.1 | ||||
| 411 | N | 22.4 | Very low | 24.1 | Very low | 135 Ų | 135 | 99.4 Ų | 99.4 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | trans | 79.8 | 108.2 | 143.3 | -69.3 | 0.6 | 0 | 0 | 0 | 123.3 | ||||
| 412 | H | 23 | Very low | 23.9 | Very low | 170 Ų | 170 | 99.2 Ų | 99.2 | 79% | 0.787 | 54% | 0.54 | S | S | * | . | trans | 90.5 | 131.1 | 131.9 | -98.2 | -61.2 | 0 | 0 | 0 | 122.8 | ||||
| 413 | K | 22.1 | Very low | 24 | Very low | 137 Ų | 137 | 103.9 Ų | 103.9 | 60% | 0.596 | 55% | 0.552 | S | S | * | * | trans | 91.8 | 118.3 | 150.1 | -74.4 | -173.3 | 175.2 | 179.4 | 0 | 120.4 | ||||
| 414 | D | 22.3 | Very low | 23.9 | Very low | 137 Ų | 137 | 106.7 Ų | 106.7 | 73% | 0.733 | 56% | 0.56 | S | S | * | * | 60.6 | 114.7 | 128 | -44.4 | -16.3 | 0 | 0 | 0 | 119.3 | |||||
| 415 | G | 24.1 | Very low | 24.2 | Very low | 49 Ų | 49 | 109.6 Ų | 109.6 | 51% | 0.505 | 58% | 0.576 | S | S | . | * | 133.7 | 111.9 | 126.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | E1921 | G415-E1921 VanDerWaalsContact CA-OE2 3.25Å; G415-E1921 WeakPolarHBondContact CA-OE2 3.3Å; G415-E1921 PolarHBondContact N-OE2 2.74Å | |||
| 416 | K | 26.8 | Very low | 25.6 | Very low | 152 Ų | 152 | 111.1 Ų | 111.1 | 66% | 0.661 | 58% | 0.58 | S | S | * | * | trans | 80.8 | 121.8 | 150.6 | -67 | 170.7 | -174.6 | 175.1 | 0 | 114.2 | E1921 | K416-E1921 WeakPolarHBondContact CA-OE1 3.5Å; K416-E1921 PolarHBondContact N-OE1 2.89Å; K416-E1921 PolarHBondContact N-OE2 2.91Å; K416-E1921 VanDerWaalsContact N-OE2 3.11Å | ||
| 417 | Q | 23 | Very low | 27.3 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | 64.5 | 141.4 | 73.4 | -63.1 | 173 | 26.9 | 0 | 0 | 111.4 | |||||
| 418 | L | 23.7 | Very low | 29.6 | Very low | 127 Ų | 127 | 109.5 Ų | 109.5 | 67% | 0.665 | 56% | 0.564 | S | S | * | * | cis | -162.3 | 149.5 | 25.6 | -157.7 | 62 | 0 | 0 | 0 | 111.7 | ||||
| 419 | R | 22.3 | Very low | 32.1 | Very low | 102 Ų | 102 | 110.8 Ų | 110.8 | 39% | 0.385 | 56% | 0.561 | S | S | . | * | trans | 72 | 138.1 | 143 | -92.2 | 179.2 | 168.7 | -164.9 | -14.2 | 121.5 | A645 | R419-A645 PolarHBondContact NH1-O 2.66Å; R419-A645 VanDerWaalsContact NH2-CB 3.3Å; R419-A645 VanDerWaalsContact NH2-N 3.15Å; R419-A645 PolarHBondContact NH2-O 3.16Å | ||
| 420 | Q | 22.2 | Very low | 35 | Very low | 95 Ų | 95 | 106.5 Ų | 106.5 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | 64 | 148.1 | 86.9 | -76.2 | 178 | -4.9 | 0 | 0 | 114.3 | N642 | Q420-N642 WeakPolarHBondContact CG-OD1 3.11Å; Q420-N642 PolarHBondContact NE2-OD1 3.03Å | |||
| 421 | S | 21.7 | Very low | 37.7 | Very low | 62 Ų | 62 | 99 Ų | 99 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | cis | -169.8 | 177.6 | -9.8 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | N642 | S421-N642 VanDerWaalsContact CB-ND2 3.28Å; S421-N642 WeakPolarHBondContact CB-ND2 3.11Å | ||
| 422 | Q | 23.9 | Very low | 40.6 | Very low | 133 Ų | 133 | 93.4 Ų | 93.4 | 62% | 0.621 | 47% | 0.467 | S | S | * | . | trans | 59.4 | 108 | 157.3 | -69.4 | 171.4 | -30.9 | 0 | 0 | 117.7 | ||||
| 423 | Q | 27.6 | Very low | 43.5 | Very low | 190 Ų | 190 | 85.7 Ų | 85.7 | 89% | 0.888 | 43% | 0.432 | S | S | * | . | trans | -154 | 103 | 130.1 | -116.4 | 174.2 | 0.8 | 0 | 0 | 109.1 | ||||
| 424 | L | 27.2 | Very low | 46 | Very low | 137 Ų | 137 | 81.8 Ų | 81.8 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | trans | -143.5 | 59.3 | 174.8 | -155.7 | 158.7 | 0 | 0 | 0 | 107.2 | ||||
| 425 | T | 32.1 | Very low | 47.8 | Very low | 113 Ų | 113 | 77 Ų | 77 | 69% | 0.693 | 40% | 0.401 | S | S | * | . | trans | -151.6 | 79.8 | -171.9 | 49.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 426 | D | 52.5 | Low | 49.5 | Very low | 80 Ų | 80 | 80.9 Ų | 80.9 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | trans | -169.3 | 40.5 | 173.7 | -109.5 | -4.6 | 0 | 0 | 0 | 111.2 | P600 | D426-P600 HydrophobicContact CB-CG 4.33Å; D426-P600 WeakPolarHBondContact O-CG 3.42Å; D426-P600 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 427 | M | 60.9 | Low | 50.6 | Low | 51 Ų | 51 | 81.3 Ų | 81.3 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | trans | -103.2 | 147.9 | 177.7 | -70.6 | -67.4 | 117.3 | 0 | 0 | 111.6 | T451 F454 T455 P600 | M427-T451 WeakPolarHBondContact CB-OG1 3.27Å; M427-T451 HydrophobicContact CG-CG2 4.02Å; M427-F454 HydrophobicContact SD-CB 4.48Å; M427-T455 HydrophobicContact CE-CG2 4.48Å; M427-T455 HydrophobicContact SD-CG2 3.62Å; M427-P600 WeakPolarHBondContact O-CD 3.34Å | ||
| 428 | P | 72.7 | Confident | 52 | Low | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 42% | 0.422 | C | S | . | . | trans | -78.8 | 159.4 | -179.3 | 34.3 | -37.8 | 0 | 0 | 0 | 113 | L450 F454 Y597 I598 Q599 | P428-L450 WeakPolarHBondContact O-CB 2.96Å; P428-L450 PolarHBondContact O-N 3.09Å; P428-F454 HydrophobicContact CB-CE2 4.26Å; P428-F454 HydrophobicContact CG-CD1 4.48Å; P428-F454 HydrophobicContact CG-CD2 3.29Å; P428-F454 HydrophobicContact CG-CE1 4.45Å; P428-F454 HydrophobicContact CG-CE2 3.25Å; P428-F454 HydrophobicContact CG-CG 3.93Å; P428-F454 HydrophobicContact CG-CZ 3.86Å; P428-Y597 HydrophobicContact CB-CE2 3.86Å; P428-I598 CarbonylContact C-O 3.58Å; P428-I598 VanDerWaalsContact CA-O 3.24Å; P428-I598 WeakPolarHBondContact CA-O 3.42Å; P428-I598 WeakPolarHBondContact CB-O 3.31Å; P428-Q599 HydrophobicContact CB-CB 4.14Å; P428-Q599 HydrophobicContact CB-CG 4.33Å | ||
| 429 | Y | 77 | Confident | 53.5 | Low | 80 Ų | 80 | 81.3 Ų | 81.3 | 31% | 0.314 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 167.3 | -175.5 | 52.6 | -83.4 | 0 | 0 | 0 | 112 | V431 T447 I448 I598 | Y429-V431 HydrophobicContact CD2-CG2 3.39Å; Y429-V431 HydrophobicContact CE2-CG2 3.38Å; Y429-T447 HydrophobicContact CD2-CG2 3.95Å; Y429-T447 HydrophobicContact CG-CG2 4.42Å; Y429-I448 WeakPolarHBondContact CA-O 3.34Å; Y429-I448 WeakPolarHBondContact CB-O 3.35Å; Y429-I598 HydrophobicContact CD2-CB 4.34Å; Y429-I598 HydrophobicContact CE1-CB 4.41Å; Y429-I598 HydrophobicContact CE1-CG2 4.18Å; Y429-I598 HydrophobicContact CE2-CB 3.94Å; Y429-I598 HydrophobicContact CE2-CD1 4.02Å; Y429-I598 HydrophobicContact CE2-CG1 4.45Å; Y429-I598 HydrophobicContact CE2-CG2 4.21Å; Y429-I598 PolarHBondContact N-O 3.2Å; Y429-I598 PolarHBondContact O-N 2.99Å |
| 430 | L | 82.6 | Confident | 55.3 | Low | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.8 | 168.9 | -73.1 | 159.5 | 0 | 0 | 0 | 109.4 | T447 I448 L450 F494 L550 L587 L595 K596 Y597 | L430-T447 CarbonylContact O-C 3.47Å; L430-T447 VanDerWaalsContact O-CA 3.28Å; L430-T447 WeakPolarHBondContact O-CA 3.22Å; L430-T447 WeakPolarHBondContact O-CG2 3.35Å; L430-I448 HydrophobicContact CB-CB 4.19Å; L430-I448 HydrophobicContact CD1-CD1 4.19Å; L430-I448 PolarHBondContact N-O 2.89Å; L430-I448 PolarHBondContact O-N 3.3Å; L430-L450 HydrophobicContact CD1-CD1 4.44Å; L430-L450 HydrophobicContact CD1-CD2 4.32Å; L430-L450 HydrophobicContact CG-CD1 4.21Å; L430-F494 HydrophobicContact CD1-CD1 4.49Å; L430-F494 HydrophobicContact CD1-CD2 4.48Å; L430-F494 HydrophobicContact CD1-CE1 4.05Å; L430-F494 HydrophobicContact CD1-CE2 4.06Å; L430-F494 HydrophobicContact CD1-CZ 3.82Å; L430-L550 HydrophobicContact CD1-CD2 4.23Å; L430-L550 HydrophobicContact CD2-CD2 4.42Å; L430-L550 HydrophobicContact CG-CD2 4.43Å; L430-L587 HydrophobicContact CD2-CD1 3.67Å; L430-L595 HydrophobicContact CD2-CB 4.3Å; L430-K596 WeakPolarHBondContact CA-O 3.2Å; L430-Y597 HydrophobicContact CD2-CD2 4.36Å |
| 431 | V | 81.9 | Confident | 57.1 | Low | 5 Ų | 5 | 79.4 Ų | 79.4 | 3% | 0.03 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.1 | 175.2 | -163.9 | 0 | 0 | 0 | 0 | 110.4 | Y429 I441 T447 L595 K596 I598 | Y429-V431 HydrophobicContact CD2-CG2 3.39Å; Y429-V431 HydrophobicContact CE2-CG2 3.38Å; V431-I441 HydrophobicContact CG1-CB 4.38Å; V431-I441 HydrophobicContact CG1-CD1 4.33Å; V431-I441 HydrophobicContact CG1-CG1 4.03Å; V431-I441 HydrophobicContact CG1-CG2 3.62Å; V431-T447 HydrophobicContact CG2-CG2 4.38Å; V431-L595 CarbonylContact O-C 3.6Å; V431-L595 WeakPolarHBondContact O-CA 3.36Å; V431-K596 PolarHBondContact N-O 3.34Å; V431-K596 PolarHBondContact O-N 2.86Å; V431-I598 HydrophobicContact CG2-CD1 3.96Å |
| 432 | E | 83.6 | Confident | 59.3 | Low | 18 Ų | 18 | 79.5 Ų | 79.5 | 8% | 0.084 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 136.2 | 167.5 | -171.8 | 173.4 | -149.5 | 0 | 0 | 112.4 | H442 G445 F446 H484 L593 Y594 L595 | E432-H442 HydrophobicContact CB-CB 4.34Å; E432-H442 HydrophobicContact CG-CB 3.95Å; E432-H442 PolarHBondContact O-N 2.72Å; E432-H442 IonicContact OE2-ND1 2.9Å; E432-H442 PolarHBondContact OE2-ND1 3.19Å; E432-G445 WeakPolarHBondContact OE2-CA 3.21Å; E432-F446 HydrophobicContact CB-CD1 4.43Å; E432-F446 PolarHBondContact N-O 3.22Å; E432-F446 WeakPolarHBondContact OE2-CD1 3.41Å; E432-F446 PolarHBondContact OE2-N 3.26Å; E432-H484 IonicContact OE1-CE1 3.28Å; E432-H484 IonicContact OE1-NE2 2.72Å; E432-L593 HydrophobicContact CG-CD1 4.01Å; E432-L593 VanDerWaalsContact OE1-CD1 3.28Å; E432-L593 WeakPolarHBondContact OE1-CD1 3.47Å; E432-Y594 WeakPolarHBondContact CA-O 3.35Å; E432-L595 HydrophobicContact CB-CD2 4.18Å |
| 433 | V | 83.2 | Confident | 60.6 | Low | 7 Ų | 7 | 78.4 Ų | 78.4 | 4% | 0.042 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -129 | 157.7 | -178.8 | -68.4 | 0 | 0 | 0 | 0 | 110.5 | S440 I586 Y594 K596 | V433-S440 WeakPolarHBondContact CA-O 3.39Å; V433-S440 WeakPolarHBondContact CB-O 3.49Å; V433-I586 HydrophobicContact CG2-CG2 4.29Å; V433-Y594 PolarHBondContact N-O 2.93Å; V433-K596 HydrophobicContact CG1-CB 3.72Å; V433-K596 HydrophobicContact CG1-CD 4.25Å; V433-K596 HydrophobicContact CG2-CB 4.3Å |
| 434 | N | 75 | Confident | 62 | Low | 55 Ų | 55 | 76.5 Ų | 76.5 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | trans | -63.4 | 147.3 | 177.5 | -67.1 | -9.5 | 0 | 0 | 0 | 111.2 | S440 H442 | N434-S440 PolarHBondContact N-O 2.88Å; N434-S440 PolarHBondContact ND2-OG 2.77Å; N434-S440 VanDerWaalsContact ND2-OG 3.13Å; N434-H442 WeakPolarHBondContact OD1-CA 3.15Å; N434-H442 PolarHBondContact OD1-CD2 2.95Å | ||
| 435 | G | 61 | Low | 63.5 | Low | 37 Ų | 37 | 70.9 Ų | 70.9 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -83.1 | -16.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y594 | G435-Y594 VanDerWaalsContact CA-CD2 3.44Š|
| 436 | D | 57.8 | Low | 65.2 | Low | 131 Ų | 131 | 68.6 Ų | 68.6 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -76.7 | 172.5 | 168.4 | -61 | -61.1 | 0 | 0 | 0 | 110.5 | D438 | D436-D438 PolarHBondContact O-N 3.1Š|
| 437 | L | 51.8 | Low | 66.1 | Low | 160 Ų | 160 | 68.8 Ų | 68.8 | 84% | 0.838 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -66.3 | -10.9 | -169.3 | -80 | 84.7 | 0 | 0 | 0 | 114.9 | H439 | L437-H439 PolarHBondContact O-CE1 2.71Å; L437-H439 VanDerWaalsContact O-CE1 3.32Å; L437-H439 PolarHBondContact O-N 2.75Å; L437-H439 PolarHBondContact O-ND1 3.14Å; L437-H439 VanDerWaalsContact O-ND1 3.09Å |
| 438 | D | 52.3 | Low | 66.7 | Low | 122 Ų | 122 | 66.9 Ų | 66.9 | 65% | 0.652 | 37% | 0.367 | S | S | * | . | trans | -76.1 | 103.2 | 178.4 | -69 | -40 | 0 | 0 | 0 | 112 | D436 S440 | D436-D438 PolarHBondContact O-N 3.1Å; D438-S440 PolarHBondContact O-N 2.71Å; D438-S440 PolarHBondContact O-OG 2.88Å | ||
| 439 | H | 55.2 | Low | 66.7 | Low | 128 Ų | 128 | 71.6 Ų | 71.6 | 59% | 0.593 | 39% | 0.393 | S | S | * | . | trans | -66 | 26.8 | -178.6 | -56 | -19.5 | 0 | 0 | 0 | 115.9 | L437 | L437-H439 PolarHBondContact O-CE1 2.71Å; L437-H439 VanDerWaalsContact O-CE1 3.32Å; L437-H439 PolarHBondContact O-N 2.75Å; L437-H439 PolarHBondContact O-ND1 3.14Å; L437-H439 VanDerWaalsContact O-ND1 3.09Å | ||
| 440 | S | 59.5 | Low | 66.8 | Low | 55 Ų | 55 | 67.9 Ų | 67.9 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 147.5 | 171.1 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | V433 N434 D438 | V433-S440 WeakPolarHBondContact CA-O 3.39Å; V433-S440 WeakPolarHBondContact CB-O 3.49Å; N434-S440 PolarHBondContact N-O 2.88Å; N434-S440 PolarHBondContact ND2-OG 2.77Å; N434-S440 VanDerWaalsContact ND2-OG 3.13Å; D438-S440 PolarHBondContact O-N 2.71Å; D438-S440 PolarHBondContact O-OG 2.88Å |
| 441 | I | 60.1 | Low | 66 | Low | 102 Ų | 102 | 69.4 Ų | 69.4 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 132.8 | 170.2 | -69.5 | 169.8 | 0 | 0 | 0 | 108.2 | V431 | V431-I441 HydrophobicContact CG1-CB 4.38Å; V431-I441 HydrophobicContact CG1-CD1 4.33Å; V431-I441 HydrophobicContact CG1-CG1 4.03Å; V431-I441 HydrophobicContact CG1-CG2 3.62Å |
| 442 | H | 67.1 | Low | 64.9 | Low | 64 Ų | 64 | 72.8 Ų | 72.8 | 30% | 0.296 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 122.9 | 176 | 178.8 | -123.8 | 0 | 0 | 0 | 108.4 | E432 N434 N444 G445 | E432-H442 HydrophobicContact CB-CB 4.34Å; E432-H442 HydrophobicContact CG-CB 3.95Å; E432-H442 PolarHBondContact O-N 2.72Å; E432-H442 IonicContact OE2-ND1 2.9Å; E432-H442 PolarHBondContact OE2-ND1 3.19Å; N434-H442 WeakPolarHBondContact OD1-CA 3.15Å; N434-H442 PolarHBondContact OD1-CD2 2.95Å; H442-N444 PolarHBondContact O-N 2.79Å; H442-N444 VanDerWaalsContact O-N 3.15Å; H442-G445 VanDerWaalsContact ND1-CA 3.3Å; H442-G445 WeakPolarHBondContact ND1-CA 3.34Å; H442-G445 PolarHBondContact ND1-N 3.08Å; H442-G445 WeakPolarHBondContact O-CA 3.36Å; H442-G445 PolarHBondContact O-N 2.9Å |
| 443 | P | 51.2 | Low | 64.2 | Low | 110 Ų | 110 | 72.5 Ų | 72.5 | 71% | 0.714 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.1 | -165.5 | 23.7 | -34.4 | 0 | 0 | 0 | 114.3 | ||
| 444 | N | 57.2 | Low | 63.3 | Low | 150 Ų | 150 | 73 Ų | 73 | 80% | 0.802 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 12.2 | 172.1 | -64.1 | -15.1 | 0 | 0 | 0 | 112 | H442 | H442-N444 PolarHBondContact O-N 2.79Å; H442-N444 VanDerWaalsContact O-N 3.15Å |
| 445 | G | 59.3 | Low | 62.1 | Low | 20 Ų | 20 | 74.2 Ų | 74.2 | 21% | 0.206 | 42% | 0.415 | C | S | . | . | trans | -82.1 | 148.4 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E432 H442 | E432-G445 WeakPolarHBondContact OE2-CA 3.21Å; H442-G445 VanDerWaalsContact ND1-CA 3.3Å; H442-G445 WeakPolarHBondContact ND1-CA 3.34Å; H442-G445 PolarHBondContact ND1-N 3.08Å; H442-G445 WeakPolarHBondContact O-CA 3.36Å; H442-G445 PolarHBondContact O-N 2.9Å | ||
| 446 | F | 68 | Low | 61.4 | Low | 65 Ų | 65 | 77 Ų | 77 | 29% | 0.285 | 42% | 0.415 | S | S | . | . | trans | -80.3 | 150.6 | -178.2 | 66.1 | -83.4 | 0 | 0 | 0 | 112.5 | E432 I448 V477 L593 L595 | E432-F446 HydrophobicContact CB-CD1 4.43Å; E432-F446 PolarHBondContact N-O 3.22Å; E432-F446 WeakPolarHBondContact OE2-CD1 3.41Å; E432-F446 PolarHBondContact OE2-N 3.26Å; F446-I448 HydrophobicContact CD2-CG1 4.08Å; F446-I448 HydrophobicContact CE2-CD1 4.13Å; F446-I448 HydrophobicContact CE2-CG1 4.02Å; F446-V477 HydrophobicContact CE2-CG1 4.45Å; F446-L593 HydrophobicContact CE1-CD1 3.71Å; F446-L593 HydrophobicContact CZ-CD1 3.81Å; F446-L593 HydrophobicContact CZ-CD2 4Å; F446-L595 HydrophobicContact CE2-CD2 4.15Å; F446-L595 HydrophobicContact CZ-CD2 4.04Å | ||
| 447 | T | 71.1 | Confident | 60.5 | Low | 84 Ų | 84 | 74.7 Ų | 74.7 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128 | 174 | -62.5 | 0 | 0 | 0 | 0 | 109.2 | Y429 L430 V431 | Y429-T447 HydrophobicContact CD2-CG2 3.95Å; Y429-T447 HydrophobicContact CG-CG2 4.42Å; L430-T447 CarbonylContact O-C 3.47Å; L430-T447 VanDerWaalsContact O-CA 3.28Å; L430-T447 WeakPolarHBondContact O-CA 3.22Å; L430-T447 WeakPolarHBondContact O-CG2 3.35Å; V431-T447 HydrophobicContact CG2-CG2 4.38Å |
| 448 | I | 73.2 | Confident | 60.1 | Low | 10 Ų | 10 | 71.4 Ų | 71.4 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 111.1 | 170.4 | -48.2 | 172.7 | 0 | 0 | 0 | 107.5 | Y429 L430 F446 L450 I462 L464 V477 L595 | Y429-I448 WeakPolarHBondContact CA-O 3.34Å; Y429-I448 WeakPolarHBondContact CB-O 3.35Å; L430-I448 HydrophobicContact CB-CB 4.19Å; L430-I448 HydrophobicContact CD1-CD1 4.19Å; L430-I448 PolarHBondContact N-O 2.89Å; L430-I448 PolarHBondContact O-N 3.3Å; F446-I448 HydrophobicContact CD2-CG1 4.08Å; F446-I448 HydrophobicContact CE2-CD1 4.13Å; F446-I448 HydrophobicContact CE2-CG1 4.02Å; I448-L450 HydrophobicContact CG2-CD2 4.15Å; I448-I462 HydrophobicContact CG2-CD1 4.27Å; I448-L464 HydrophobicContact CD1-CD2 4.35Å; I448-V477 HydrophobicContact CD1-CG1 4.23Å; I448-V477 HydrophobicContact CD1-CG2 4.22Å; I448-V477 HydrophobicContact CG1-CG1 4.43Å; I448-V477 HydrophobicContact CG1-CG2 4.25Å; I448-V477 HydrophobicContact CG2-CG2 3.95Å; I448-L595 HydrophobicContact CD1-CD1 4.41Å |
| 449 | D | 73.5 | Confident | 60 | Low | 100 Ų | 100 | 67.6 Ų | 67.6 | 54% | 0.535 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 132 | 168.7 | -175.6 | 11.8 | 0 | 0 | 0 | 109.9 | T451 | D449-T451 WeakPolarHBondContact OD1-CB 3.23Å; D449-T451 PolarHBondContact OD1-N 3.2Å; D449-T451 PolarHBondContact OD1-OG1 3.47Å; D449-T451 WeakPolarHBondContact OD2-CB 3.31Å; D449-T451 PolarHBondContact OD2-OG1 2.89Å |
| 450 | L | 77.6 | Confident | 59.9 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | trans | -107.3 | 6.8 | 176.2 | -52.1 | 171.5 | 0 | 0 | 0 | 111.8 | P428 L430 I448 D452 L453 F454 I462 L550 Y597 | P428-L450 WeakPolarHBondContact O-CB 2.96Å; P428-L450 PolarHBondContact O-N 3.09Å; L430-L450 HydrophobicContact CD1-CD1 4.44Å; L430-L450 HydrophobicContact CD1-CD2 4.32Å; L430-L450 HydrophobicContact CG-CD1 4.21Å; I448-L450 HydrophobicContact CG2-CD2 4.15Å; L450-D452 VanDerWaalsContact C-N 3.33Å; L450-D452 PolarHBondContact O-N 2.91Å; L450-L453 HydrophobicContact CB-CB 4.36Å; L450-L453 HydrophobicContact CD2-CD2 4.12Å; L450-L453 WeakPolarHBondContact O-CA 3.25Å; L450-L453 VanDerWaalsContact O-CB 3.27Å; L450-L453 WeakPolarHBondContact O-CB 3.24Å; L450-L453 PolarHBondContact O-N 3.29Å; L450-F454 HydrophobicContact CB-CD2 3.85Å; L450-F454 HydrophobicContact CB-CE2 3.94Å; L450-F454 HydrophobicContact CD1-CE2 4.16Å; L450-F454 WeakPolarHBondContact O-CD2 3.47Å; L450-F454 PolarHBondContact O-N 2.75Å; L450-F454 VanDerWaalsContact O-N 3.1Å; L450-I462 HydrophobicContact CD2-CD1 3.69Å; L450-L550 HydrophobicContact CD1-CD1 4.14Å; L450-L550 HydrophobicContact CD1-CD2 3.89Å; L450-Y597 HydrophobicContact CD1-CD2 3.97Å; L450-Y597 HydrophobicContact CD1-CE2 3.72Å | ||
| 451 | T | 66.7 | Low | 59.9 | Low | 34 Ų | 34 | 67.3 Ų | 67.3 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -47.2 | -52.1 | 180 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | M427 D449 L453 F454 T455 | M427-T451 WeakPolarHBondContact CB-OG1 3.27Å; M427-T451 HydrophobicContact CG-CG2 4.02Å; D449-T451 WeakPolarHBondContact OD1-CB 3.23Å; D449-T451 PolarHBondContact OD1-N 3.2Å; D449-T451 PolarHBondContact OD1-OG1 3.47Å; D449-T451 WeakPolarHBondContact OD2-CB 3.31Å; D449-T451 PolarHBondContact OD2-OG1 2.89Å; T451-L453 VanDerWaalsContact C-N 3.33Å; T451-L453 PolarHBondContact O-N 2.9Å; T451-F454 PolarHBondContact O-N 3.44Å; T451-T455 HydrophobicContact CG2-CG2 4.18Å; T451-T455 VanDerWaalsContact O-CB 3.3Å; T451-T455 WeakPolarHBondContact O-CB 3.3Å; T451-T455 VanDerWaalsContact O-CG2 3.26Å; T451-T455 WeakPolarHBondContact O-CG2 3.12Å; T451-T455 PolarHBondContact O-N 2.81Å; T451-T455 PolarHBondContact O-OG1 2.78Å |
| 452 | D | 59.1 | Low | 60.3 | Low | 76 Ų | 76 | 63.2 Ų | 63.2 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 177.7 | -86.1 | -17.1 | 0 | 0 | 0 | 111.4 | L450 F454 T455 R456 T459 | L450-D452 VanDerWaalsContact C-N 3.33Å; L450-D452 PolarHBondContact O-N 2.91Å; D452-F454 PolarHBondContact O-N 3.36Å; D452-F454 VanDerWaalsContact O-N 3.16Å; D452-T455 PolarHBondContact O-N 3.03Å; D452-T455 VanDerWaalsContact O-N 3.13Å; D452-R456 VanDerWaalsContact CG-NE 3.3Å; D452-R456 PolarHBondContact O-N 2.83Å; D452-R456 IonicContact OD1-CZ 3.09Å; D452-R456 IonicContact OD1-NE 3.82Å; D452-R456 PolarHBondContact OD1-NE 3.26Å; D452-R456 IonicContact OD1-NH2 3.37Å; D452-R456 PolarHBondContact OD1-NH2 2.82Å; D452-R456 IonicContact OD2-CZ 2.71Å; D452-R456 IonicContact OD2-NE 2.88Å; D452-R456 IonicContact OD2-NH2 2.85Å; D452-R456 PolarHBondContact OD2-NH2 2.93Å; D452-T459 HydrophobicContact CB-CG2 3.98Å; D452-T459 WeakPolarHBondContact O-CG2 3.31Å |
| 453 | L | 68.9 | Low | 60.3 | Low | 11 Ų | 11 | 64.4 Ų | 64.4 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.4 | -26 | -177.1 | -155.8 | 76 | 0 | 0 | 0 | 113.1 | L450 T451 I462 V496 L550 | L450-L453 HydrophobicContact CB-CB 4.36Å; L450-L453 HydrophobicContact CD2-CD2 4.12Å; L450-L453 WeakPolarHBondContact O-CA 3.25Å; L450-L453 VanDerWaalsContact O-CB 3.27Å; L450-L453 WeakPolarHBondContact O-CB 3.24Å; L450-L453 PolarHBondContact O-N 3.29Å; T451-L453 VanDerWaalsContact C-N 3.33Å; T451-L453 PolarHBondContact O-N 2.9Å; L453-I462 HydrophobicContact CD1-CD1 4.26Å; L453-I462 HydrophobicContact CD1-CG1 4.11Å; L453-I462 HydrophobicContact CD2-CD1 4.16Å; L453-V496 HydrophobicContact CB-CG2 4.14Å; L453-V496 HydrophobicContact CD2-CG2 3.68Å; L453-V496 HydrophobicContact CG-CB 4.42Å; L453-V496 HydrophobicContact CG-CG2 3.62Å; L453-V496 WeakPolarHBondContact O-CB 3.34Å; L453-V496 VanDerWaalsContact O-CG2 3.3Å; L453-V496 WeakPolarHBondContact O-CG2 3.22Å; L453-L550 HydrophobicContact CD2-CD1 3.8Å |
| 454 | F | 64.7 | Low | 61 | Low | 18 Ų | 18 | 59.2 Ų | 59.2 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -103.1 | -15 | 177.2 | -76.6 | -81.8 | 0 | 0 | 0 | 114.6 | M427 P428 L450 T451 D452 V496 L498 Y548 L550 Y597 | M427-F454 HydrophobicContact SD-CB 4.48Å; P428-F454 HydrophobicContact CB-CE2 4.26Å; P428-F454 HydrophobicContact CG-CD1 4.48Å; P428-F454 HydrophobicContact CG-CD2 3.29Å; P428-F454 HydrophobicContact CG-CE1 4.45Å; P428-F454 HydrophobicContact CG-CE2 3.25Å; P428-F454 HydrophobicContact CG-CG 3.93Å; P428-F454 HydrophobicContact CG-CZ 3.86Å; L450-F454 HydrophobicContact CB-CD2 3.85Å; L450-F454 HydrophobicContact CB-CE2 3.94Å; L450-F454 HydrophobicContact CD1-CE2 4.16Å; L450-F454 WeakPolarHBondContact O-CD2 3.47Å; L450-F454 PolarHBondContact O-N 2.75Å; L450-F454 VanDerWaalsContact O-N 3.1Å; T451-F454 PolarHBondContact O-N 3.44Å; D452-F454 PolarHBondContact O-N 3.36Å; D452-F454 VanDerWaalsContact O-N 3.16Å; F454-V496 HydrophobicContact CD1-CB 4.23Å; F454-V496 HydrophobicContact CD1-CG1 3.53Å; F454-V496 HydrophobicContact CD1-CG2 3.61Å; F454-V496 HydrophobicContact CD2-CG2 3.67Å; F454-V496 HydrophobicContact CE1-CB 4.11Å; F454-V496 HydrophobicContact CE1-CG1 3.54Å; F454-V496 HydrophobicContact CE1-CG2 3.42Å; F454-V496 VanDerWaalsContact CE1-CG2 3.42Å; F454-V496 HydrophobicContact CE2-CG2 3.5Å; F454-V496 HydrophobicContact CG-CG1 4.32Å; F454-V496 HydrophobicContact CG-CG2 3.75Å; F454-V496 HydrophobicContact CZ-CB 4.46Å; F454-V496 HydrophobicContact CZ-CG1 4.36Å; F454-V496 HydrophobicContact CZ-CG2 3.4Å; F454-L498 HydrophobicContact CD1-CD2 4.16Å; F454-Y548 AromaticContact CD1-CD1 3.54Å; F454-Y548 HydrophobicContact CD1-CD1 3.54Å; F454-Y548 HydrophobicContact CD1-CE1 4.38Å; F454-Y548 HydrophobicContact CD1-CG 4.01Å; F454-Y548 VanDerWaalsContact CE1-CB 3.47Å; F454-Y548 AromaticContact CE1-CD1 3.93Å; F454-Y548 HydrophobicContact CE1-CD1 3.93Å; F454-Y548 HydrophobicContact CE1-CG 4.07Å; F454-Y548 HydrophobicContact CG-CD1 4.41Å; F454-L550 HydrophobicContact CE2-CD1 4.43Å; F454-Y597 WeakPolarHBondContact CZ-OH 3.33Å |
| 455 | T | 48.7 | Very low | 61.2 | Low | 80 Ų | 80 | 52.1 Ų | 52.1 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -109.9 | -25.5 | -174.9 | 59.1 | 0 | 0 | 0 | 0 | 115 | M427 T451 D452 | M427-T455 HydrophobicContact CE-CG2 4.48Å; M427-T455 HydrophobicContact SD-CG2 3.62Å; T451-T455 HydrophobicContact CG2-CG2 4.18Å; T451-T455 VanDerWaalsContact O-CB 3.3Å; T451-T455 WeakPolarHBondContact O-CB 3.3Å; T451-T455 VanDerWaalsContact O-CG2 3.26Å; T451-T455 WeakPolarHBondContact O-CG2 3.12Å; T451-T455 PolarHBondContact O-N 2.81Å; T451-T455 PolarHBondContact O-OG1 2.78Å; D452-T455 PolarHBondContact O-N 3.03Å; D452-T455 VanDerWaalsContact O-N 3.13Å |
| 456 | R | 45.4 | Very low | 61.2 | Low | 96 Ų | 96 | 51.5 Ų | 51.5 | 36% | 0.362 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -101.8 | 139.6 | 178.6 | -49.9 | -169.6 | -163.6 | -170.9 | 10.8 | 111.7 | D452 Y458 T459 E830 | D452-R456 VanDerWaalsContact CG-NE 3.3Å; D452-R456 PolarHBondContact O-N 2.83Å; D452-R456 IonicContact OD1-CZ 3.09Å; D452-R456 IonicContact OD1-NE 3.82Å; D452-R456 PolarHBondContact OD1-NE 3.26Å; D452-R456 IonicContact OD1-NH2 3.37Å; D452-R456 PolarHBondContact OD1-NH2 2.82Å; D452-R456 IonicContact OD2-CZ 2.71Å; D452-R456 IonicContact OD2-NE 2.88Å; D452-R456 IonicContact OD2-NH2 2.85Å; D452-R456 PolarHBondContact OD2-NH2 2.93Å; R456-Y458 VanDerWaalsContact C-N 3.3Å; R456-Y458 PolarHBondContact O-N 2.89Å; R456-T459 HydrophobicContact CB-CG2 3.99Å; R456-E830 IonicContact NH1-OE1 3.23Å; R456-E830 IonicContact NH1-OE2 3.07Å; R456-E830 PolarHBondContact NH1-OE2 2.98Å |
| 457 | A | 40.2 | Very low | 60.5 | Low | 83 Ų | 83 | 52.2 Ų | 52.2 | 69% | 0.686 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N834 | A457-N834 WeakPolarHBondContact CB-ND2 3.28Š|
| 458 | Y | 42.4 | Very low | 59.3 | Low | 91 Ų | 91 | 54.7 Ų | 54.7 | 36% | 0.357 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | 50.6 | 179.5 | -73.4 | -26.3 | 0 | 0 | 0 | 113.3 | R456 L460 Y829 N834 | R456-Y458 VanDerWaalsContact C-N 3.3Å; R456-Y458 PolarHBondContact O-N 2.89Å; Y458-L460 PolarHBondContact O-N 3.42Å; Y458-Y829 HydrophobicContact CD2-CD1 4.28Å; Y458-Y829 AromaticContact CD2-CE1 3.66Å; Y458-Y829 HydrophobicContact CD2-CE1 3.66Å; Y458-Y829 AromaticContact CE2-CE1 3.9Å; Y458-Y829 HydrophobicContact CE2-CE1 3.9Å; Y458-N834 WeakPolarHBondContact CD2-ND2 3.41Å; Y458-N834 HydrophobicContact CE2-CB 4.33Å; Y458-N834 WeakPolarHBondContact CE2-ND2 3.44Å; Y458-N834 WeakPolarHBondContact CE2-OD1 3.32Å; Y458-N834 VanDerWaalsContact CZ-CG 3.47Å |
| 459 | T | 50.6 | Low | 57.9 | Low | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.258 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 132.6 | 164.9 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | D452 R456 | D452-T459 HydrophobicContact CB-CG2 3.98Å; D452-T459 WeakPolarHBondContact O-CG2 3.31Å; R456-T459 HydrophobicContact CB-CG2 3.99Å |
| 460 | L | 52.5 | Low | 56.4 | Low | 129 Ų | 129 | 56.5 Ų | 56.5 | 68% | 0.675 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 133.9 | 164.6 | -69.7 | 174.3 | 0 | 0 | 0 | 110 | Y458 I462 N476 | Y458-L460 PolarHBondContact O-N 3.42Å; L460-I462 PolarHBondContact O-N 2.86Å; L460-N476 PolarHBondContact O-ND2 3.49Å; L460-N476 VanDerWaalsContact O-ND2 3.12Å |
| 461 | P | 60.5 | Low | 54.4 | Low | 47 Ų | 47 | 63.8 Ų | 63.8 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 135.6 | 177.7 | -31.5 | 38.2 | 0 | 0 | 0 | 113.8 | K463 N476 T493 F494 | P461-K463 PolarHBondContact O-N 2.82Å; P461-N476 PolarHBondContact O-ND2 3.46Å; P461-T493 HydrophobicContact CB-CG2 3.28Å; P461-T493 HydrophobicContact CG-CG2 4.37Å; P461-F494 CarbonylContact C-O 3.55Å; P461-F494 VanDerWaalsContact CA-O 3.26Å; P461-F494 WeakPolarHBondContact CA-O 3.18Å; P461-F494 WeakPolarHBondContact CB-O 3.28Å |
| 462 | I | 67.6 | Low | 53.1 | Low | 16 Ų | 16 | 64.9 Ų | 64.9 | 8% | 0.082 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 105.8 | -177 | -68.6 | 169.9 | 0 | 0 | 0 | 109.6 | I448 L450 L453 L460 N476 V477 T493 F494 | I448-I462 HydrophobicContact CG2-CD1 4.27Å; L450-I462 HydrophobicContact CD2-CD1 3.69Å; L453-I462 HydrophobicContact CD1-CD1 4.26Å; L453-I462 HydrophobicContact CD1-CG1 4.11Å; L453-I462 HydrophobicContact CD2-CD1 4.16Å; L460-I462 PolarHBondContact O-N 2.86Å; I462-N476 HydrophobicContact CB-CB 4.22Å; I462-N476 HydrophobicContact CG1-CB 4.11Å; I462-N476 HydrophobicContact CG2-CB 4.09Å; I462-V477 HydrophobicContact CG2-CG2 4.12Å; I462-T493 CarbonylContact O-C 3.53Å; I462-T493 WeakPolarHBondContact O-CA 3.34Å; I462-F494 HydrophobicContact CB-CB 4.28Å; I462-F494 HydrophobicContact CB-CD2 4.36Å; I462-F494 HydrophobicContact CG2-CD2 4.13Å; I462-F494 PolarHBondContact N-O 3.26Å; I462-F494 PolarHBondContact O-N 3.35Å |
| 463 | K | 67 | Low | 52.3 | Low | 89 Ų | 89 | 68.1 Ų | 68.1 | 39% | 0.387 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.1 | 173.1 | -65.3 | 171.4 | -175.3 | 171.1 | 0 | 110.6 | P461 P475 N476 V477 C492 T493 | P461-K463 PolarHBondContact O-N 2.82Å; K463-P475 HydrophobicContact CB-CB 4.11Å; K463-P475 CarbonylContact O-C 2.9Å; K463-N476 PolarHBondContact O-N 3.44Å; K463-V477 PolarHBondContact O-N 2.8Å; K463-V477 VanDerWaalsContact O-N 3.14Å; K463-C492 WeakPolarHBondContact CA-O 3.45Å; K463-T493 HydrophobicContact CG-CG2 4.19Å |
| 464 | L | 65.9 | Low | 51.2 | Low | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.3 | 169.6 | -73.2 | 170.9 | 0 | 0 | 0 | 111.2 | I448 V477 I479 V490 H491 C492 F494 L589 L595 | I448-L464 HydrophobicContact CD1-CD2 4.35Å; L464-V477 HydrophobicContact CD2-CB 3.54Å; L464-V477 HydrophobicContact CD2-CG1 3.49Å; L464-V477 VanDerWaalsContact CD2-CG1 3.49Å; L464-I479 HydrophobicContact CB-CD1 4.12Å; L464-I479 HydrophobicContact CD1-CD1 4.18Å; L464-I479 HydrophobicContact CD2-CD1 3.87Å; L464-I479 HydrophobicContact CD2-CG1 4.07Å; L464-I479 HydrophobicContact CG-CD1 4.29Å; L464-V490 CarbonylContact O-C 3.59Å; L464-V490 WeakPolarHBondContact O-CA 3.22Å; L464-V490 PolarHBondContact O-N 2.77Å; L464-H491 PolarHBondContact O-N 2.9Å; L464-C492 PolarHBondContact N-O 3.41Å; L464-C492 VanDerWaalsContact N-O 3.1Å; L464-F494 HydrophobicContact CD1-CE2 3.73Å; L464-F494 HydrophobicContact CD1-CZ 4.38Å; L464-F494 HydrophobicContact CG-CE2 4.26Å; L464-L589 HydrophobicContact CD1-CD1 3.4Å; L464-L589 VanDerWaalsContact CD1-CD1 3.4Å; L464-L595 HydrophobicContact CD1-CD1 4.48Å |
| 465 | G | 62.6 | Low | 50.5 | Low | 2 Ų | 2 | 74.4 Ų | 74.4 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 174 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | V477 L478 I479 | G465-V477 PolarHBondContact N-O 2.82Å; G465-L478 WeakPolarHBondContact O-CA 3.12Å; G465-I479 PolarHBondContact O-N 2.77Å |
| 466 | T | 59.2 | Low | 50.9 | Low | 6 Ų | 6 | 74.1 Ų | 74.1 | 4% | 0.037 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 152 | -179.1 | 48.1 | 0 | 0 | 0 | 0 | 112.1 | E468 I479 K481 I487 | T466-E468 PolarHBondContact O-N 3.26Å; T466-I479 WeakPolarHBondContact CA-O 3.11Å; T466-I479 HydrophobicContact CG2-CB 4.28Å; T466-K481 HydrophobicContact CG2-CB 4.5Å; T466-I487 HydrophobicContact CG2-CB 4.38Å; T466-I487 HydrophobicContact CG2-CG2 4.15Å; T466-I487 WeakPolarHBondContact CG2-O 3.23Å |
| 467 | V | 52.4 | Low | 51.7 | Low | 81 Ų | 81 | 71.1 Ų | 71.1 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -65.7 | -40.4 | -160 | -177.3 | 0 | 0 | 0 | 0 | 114.9 | S469 L478 | V467-S469 VanDerWaalsContact C-N 3.27Å; V467-S469 PolarHBondContact O-N 2.81Å; V467-L478 HydrophobicContact CG2-CB 4.49Å |
| 468 | E | 47.6 | Very low | 52.8 | Low | 136 Ų | 136 | 71.1 Ų | 71.1 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -74.7 | 8.1 | -161.6 | -66 | -171.7 | 162.8 | 0 | 0 | 117.1 | T466 K481 | T466-E468 PolarHBondContact O-N 3.26Å; E468-K481 HydrophobicContact CB-CD 4.33Å; E468-K481 HydrophobicContact CG-CD 4.18Å; E468-K481 WeakPolarHBondContact OE2-CD 3.36Å; E468-K481 WeakPolarHBondContact OE2-CE 3.4Å; E468-K481 IonicContact OE2-NZ 3.23Å; E468-K481 PolarHBondContact OE2-NZ 3.44Å |
| 469 | S | 43.6 | Very low | 54.1 | Low | 77 Ų | 77 | 67 Ų | 67 | 54% | 0.538 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -140.4 | 21.4 | -176.1 | 75.7 | 0 | 0 | 0 | 0 | 115.7 | V467 V471 P489 | V467-S469 VanDerWaalsContact C-N 3.27Å; V467-S469 PolarHBondContact O-N 2.81Å; S469-V471 PolarHBondContact O-N 3.23Å; S469-P489 VanDerWaalsContact OG-CG 3.29Å; S469-P489 WeakPolarHBondContact OG-CG 3.45Å |
| 470 | M | 42.1 | Very low | 55 | Low | 71 Ų | 71 | 67.9 Ų | 67.9 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | trans | -82.8 | 100.9 | 178.3 | -81.9 | -169.1 | 63.8 | 0 | 0 | 113 | G472 Y474 P475 L478 | M470-G472 WeakPolarHBondContact CE-O 3.42Å; M470-Y474 HydrophobicContact CE-CD1 3.9Å; M470-Y474 HydrophobicContact CE-CG 4.36Å; M470-P475 WeakPolarHBondContact SD-CD 3.46Å; M470-P475 HydrophobicContact SD-CG 4Å; M470-L478 HydrophobicContact SD-CD1 4.39Å; M470-L478 HydrophobicContact SD-CD2 3.88Å | ||
| 471 | V | 35.6 | Very low | 55.6 | Low | 153 Ų | 153 | 65.9 Ų | 65.9 | 93% | 0.927 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -121.7 | 69.8 | 158.3 | -171.7 | 0 | 0 | 0 | 0 | 107.9 | S469 | S469-V471 PolarHBondContact O-N 3.23Š|
| 472 | G | 38.8 | Very low | 56 | Low | 57 Ų | 57 | 68.8 Ų | 68.8 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 168.8 | 173.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M470 | M470-G472 WeakPolarHBondContact CE-O 3.42Š|
| 473 | Q | 43 | Very low | 56 | Low | 145 Ų | 145 | 74 Ų | 74 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -64.8 | 158.9 | -179.2 | -68.5 | -170.1 | 2.6 | 0 | 0 | 113.4 | D896 | Q473-D896 PolarHBondContact NE2-OD2 3.42Š|
| 474 | Y | 45.3 | Very low | 56.3 | Low | 144 Ų | 144 | 70.6 Ų | 70.6 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 145 | -159.6 | -56.6 | -87.7 | 0 | 0 | 0 | 117.2 | M470 | M470-Y474 HydrophobicContact CE-CD1 3.9Å; M470-Y474 HydrophobicContact CE-CG 4.36Å |
| 475 | P | 49 | Very low | 56.4 | Low | 17 Ų | 17 | 74.8 Ų | 74.8 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 143.8 | 140.8 | 35.4 | -29.8 | 0 | 0 | 0 | 109.6 | K463 M470 V477 L478 | K463-P475 HydrophobicContact CB-CB 4.11Å; K463-P475 CarbonylContact O-C 2.9Å; M470-P475 WeakPolarHBondContact SD-CD 3.46Å; M470-P475 HydrophobicContact SD-CG 4Å; P475-V477 VanDerWaalsContact C-N 3.31Å; P475-V477 PolarHBondContact O-N 3.07Å; P475-L478 HydrophobicContact CG-CD2 3.64Å; P475-L478 HydrophobicContact CG-CG 4.26Å |
| 476 | N | 57.4 | Low | 56.7 | Low | 74 Ų | 74 | 76.4 Ų | 76.4 | 40% | 0.396 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -73.7 | -19.7 | -171.2 | -57.4 | 28.2 | 0 | 0 | 0 | 113.6 | L460 P461 I462 K463 | L460-N476 PolarHBondContact O-ND2 3.49Å; L460-N476 VanDerWaalsContact O-ND2 3.12Å; P461-N476 PolarHBondContact O-ND2 3.46Å; I462-N476 HydrophobicContact CB-CB 4.22Å; I462-N476 HydrophobicContact CG1-CB 4.11Å; I462-N476 HydrophobicContact CG2-CB 4.09Å; K463-N476 PolarHBondContact O-N 3.44Å |
| 477 | V | 62.4 | Low | 57.1 | Low | 32 Ų | 32 | 76.3 Ų | 76.3 | 19% | 0.194 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.9 | 170.1 | 171.6 | 0 | 0 | 0 | 0 | 109.3 | F446 I448 I462 K463 L464 G465 P475 | F446-V477 HydrophobicContact CE2-CG1 4.45Å; I448-V477 HydrophobicContact CD1-CG1 4.23Å; I448-V477 HydrophobicContact CD1-CG2 4.22Å; I448-V477 HydrophobicContact CG1-CG1 4.43Å; I448-V477 HydrophobicContact CG1-CG2 4.25Å; I448-V477 HydrophobicContact CG2-CG2 3.95Å; I462-V477 HydrophobicContact CG2-CG2 4.12Å; K463-V477 PolarHBondContact O-N 2.8Å; K463-V477 VanDerWaalsContact O-N 3.14Å; L464-V477 HydrophobicContact CD2-CB 3.54Å; L464-V477 HydrophobicContact CD2-CG1 3.49Å; L464-V477 VanDerWaalsContact CD2-CG1 3.49Å; G465-V477 PolarHBondContact N-O 2.82Å; P475-V477 VanDerWaalsContact C-N 3.31Å; P475-V477 PolarHBondContact O-N 3.07Å |
| 478 | L | 64.2 | Low | 57.5 | Low | 84 Ų | 84 | 78.5 Ų | 78.5 | 44% | 0.44 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.2 | 177.9 | -76.3 | 169.5 | 0 | 0 | 0 | 110.7 | G465 V467 M470 P475 | G465-L478 WeakPolarHBondContact O-CA 3.12Å; V467-L478 HydrophobicContact CG2-CB 4.49Å; M470-L478 HydrophobicContact SD-CD1 4.39Å; M470-L478 HydrophobicContact SD-CD2 3.88Å; P475-L478 HydrophobicContact CG-CD2 3.64Å; P475-L478 HydrophobicContact CG-CG 4.26Å |
| 479 | I | 69.8 | Low | 57.8 | Low | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 141 | 174 | -61.2 | 164.1 | 0 | 0 | 0 | 108.9 | L464 G465 T466 K481 H484 I487 L593 | L464-I479 HydrophobicContact CB-CD1 4.12Å; L464-I479 HydrophobicContact CD1-CD1 4.18Å; L464-I479 HydrophobicContact CD2-CD1 3.87Å; L464-I479 HydrophobicContact CD2-CG1 4.07Å; L464-I479 HydrophobicContact CG-CD1 4.29Å; G465-I479 PolarHBondContact O-N 2.77Å; T466-I479 WeakPolarHBondContact CA-O 3.11Å; T466-I479 HydrophobicContact CG2-CB 4.28Å; I479-K481 PolarHBondContact O-N 3.14Å; I479-H484 HydrophobicContact CG2-CB 3.83Å; I479-H484 WeakPolarHBondContact CG2-CD2 3.46Å; I479-I487 HydrophobicContact CD1-CD1 3.99Å; I479-I487 HydrophobicContact CD1-CG2 4.09Å; I479-I487 HydrophobicContact CG2-CD1 4.45Å; I479-L593 HydrophobicContact CD1-CD2 3.58Å; I479-L593 HydrophobicContact CG1-CD2 4.24Å |
| 480 | N | 67.9 | Low | 58.5 | Low | 61 Ų | 61 | 73.9 Ų | 73.9 | 33% | 0.326 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 126 | 174.5 | -175.1 | 6.9 | 0 | 0 | 0 | 111.5 | T482 E483 H484 | N480-T482 VanDerWaalsContact C-N 3.34Å; N480-T482 PolarHBondContact ND2-OG1 2.95Å; N480-T482 PolarHBondContact O-N 3.45Å; N480-T482 PolarHBondContact OD1-N 2.7Å; N480-T482 VanDerWaalsContact OD1-N 3.11Å; N480-T482 PolarHBondContact OD1-OG1 2.79Å; N480-E483 WeakPolarHBondContact CB-OE2 3.22Å; N480-E483 VanDerWaalsContact ND2-CD 3.29Å; N480-E483 PolarHBondContact ND2-OE2 2.85Å; N480-H484 PolarHBondContact O-N 2.76Å; N480-H484 VanDerWaalsContact O-N 3.09Å |
| 481 | K | 66.1 | Low | 59.5 | Low | 86 Ų | 86 | 71.1 Ų | 71.1 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.1 | -178.8 | -171.2 | -177.6 | 161.7 | -162.4 | 0 | 113 | T466 E468 I479 P485 | T466-K481 HydrophobicContact CG2-CB 4.5Å; E468-K481 HydrophobicContact CB-CD 4.33Å; E468-K481 HydrophobicContact CG-CD 4.18Å; E468-K481 WeakPolarHBondContact OE2-CD 3.36Å; E468-K481 WeakPolarHBondContact OE2-CE 3.4Å; E468-K481 IonicContact OE2-NZ 3.23Å; E468-K481 PolarHBondContact OE2-NZ 3.44Å; I479-K481 PolarHBondContact O-N 3.14Å; K481-P485 WeakPolarHBondContact O-CA 3.27Å; K481-P485 WeakPolarHBondContact O-CB 3.31Å |
| 482 | T | 68.7 | Low | 61.2 | Low | 108 Ų | 108 | 63.8 Ų | 63.8 | 66% | 0.663 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -31.8 | 177.5 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | N480 | N480-T482 VanDerWaalsContact C-N 3.34Å; N480-T482 PolarHBondContact ND2-OG1 2.95Å; N480-T482 PolarHBondContact O-N 3.45Å; N480-T482 PolarHBondContact OD1-N 2.7Å; N480-T482 VanDerWaalsContact OD1-N 3.11Å; N480-T482 PolarHBondContact OD1-OG1 2.79Å |
| 483 | E | 67.8 | Low | 62.8 | Low | 126 Ų | 126 | 62.2 Ų | 62.2 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -36.2 | 179.6 | -71.4 | 156.2 | 158.5 | 0 | 0 | 111.3 | N480 P485 | N480-E483 WeakPolarHBondContact CB-OE2 3.22Å; N480-E483 VanDerWaalsContact ND2-CD 3.29Å; N480-E483 PolarHBondContact ND2-OE2 2.85Å; E483-P485 VanDerWaalsContact C-CD 3.41Å; E483-P485 VanDerWaalsContact O-CD 3.3Å; E483-P485 WeakPolarHBondContact O-CD 3.47Å |
| 484 | H | 73.1 | Confident | 64.6 | Low | 17 Ų | 17 | 55.3 Ų | 55.3 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | trans | -122.7 | 64.8 | 179.6 | -51.3 | -77.7 | 0 | 0 | 0 | 112.5 | E432 I479 N480 D486 I487 T592 | E432-H484 IonicContact OE1-CE1 3.28Å; E432-H484 IonicContact OE1-NE2 2.72Å; I479-H484 HydrophobicContact CG2-CB 3.83Å; I479-H484 WeakPolarHBondContact CG2-CD2 3.46Å; N480-H484 PolarHBondContact O-N 2.76Å; N480-H484 VanDerWaalsContact O-N 3.09Å; H484-D486 PolarHBondContact O-N 3.38Å; H484-D486 VanDerWaalsContact O-N 3.09Å; H484-I487 HydrophobicContact CB-CB 4.36Å; H484-I487 HydrophobicContact CB-CD1 3.73Å; H484-I487 HydrophobicContact CB-CG1 4Å; H484-I487 PolarHBondContact O-N 3.31Å; H484-I487 VanDerWaalsContact O-N 3.1Å; H484-T592 WeakPolarHBondContact ND1-CB 3.38Å; H484-T592 PolarHBondContact ND1-OG1 2.76Å | ||
| 485 | P | 68 | Low | 66 | Low | 90 Ų | 90 | 49.7 Ų | 49.7 | 58% | 0.584 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.1 | -170.7 | 27.7 | -37 | 0 | 0 | 0 | 114.7 | K481 E483 | K481-P485 WeakPolarHBondContact O-CA 3.27Å; K481-P485 WeakPolarHBondContact O-CB 3.31Å; E483-P485 VanDerWaalsContact C-CD 3.41Å; E483-P485 VanDerWaalsContact O-CD 3.3Å; E483-P485 WeakPolarHBondContact O-CD 3.47Å |
| 486 | D | 68.5 | Low | 67 | Low | 36 Ų | 36 | 50.8 Ų | 50.8 | 19% | 0.193 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 2.6 | 177.6 | 70.3 | -43.5 | 0 | 0 | 0 | 114.2 | H484 G590 K591 T592 | H484-D486 PolarHBondContact O-N 3.38Å; H484-D486 VanDerWaalsContact O-N 3.09Å; D486-G590 VanDerWaalsContact OD2-C 3.32Å; D486-G590 VanDerWaalsContact OD2-CA 3.23Å; D486-G590 WeakPolarHBondContact OD2-CA 3.44Å; D486-K591 WeakPolarHBondContact OD2-CB 3.31Å; D486-K591 WeakPolarHBondContact OD2-CG 3.5Å; D486-K591 PolarHBondContact OD2-N 2.94Å; D486-T592 PolarHBondContact OD1-OG1 3.45Å |
| 487 | I | 69.1 | Low | 67.2 | Low | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 121.3 | 169.4 | -59.5 | -176.4 | 0 | 0 | 0 | 109.7 | T466 I479 H484 H491 L589 L593 | T466-I487 HydrophobicContact CG2-CB 4.38Å; T466-I487 HydrophobicContact CG2-CG2 4.15Å; T466-I487 WeakPolarHBondContact CG2-O 3.23Å; I479-I487 HydrophobicContact CD1-CD1 3.99Å; I479-I487 HydrophobicContact CD1-CG2 4.09Å; I479-I487 HydrophobicContact CG2-CD1 4.45Å; H484-I487 HydrophobicContact CB-CB 4.36Å; H484-I487 HydrophobicContact CB-CD1 3.73Å; H484-I487 HydrophobicContact CB-CG1 4Å; H484-I487 PolarHBondContact O-N 3.31Å; H484-I487 VanDerWaalsContact O-N 3.1Å; I487-H491 HydrophobicContact CG2-CB 4.16Å; I487-L589 HydrophobicContact CD1-CB 4Å; I487-L593 HydrophobicContact CD1-CB 3.73Å; I487-L593 HydrophobicContact CD1-CD2 3.88Å; I487-L593 HydrophobicContact CD1-CG 4.47Å |
| 488 | R | 59.6 | Low | 66.8 | Low | 126 Ų | 126 | 52.7 Ų | 52.7 | 48% | 0.475 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -95 | 158.8 | 178.9 | -59.5 | 178.8 | -63.6 | 142.9 | 10.5 | 111.1 | H491 | R488-H491 PolarHBondContact N-CD2 2.94Å; R488-H491 PolarHBondContact N-NE2 3.31Å; R488-H491 VanDerWaalsContact N-NE2 3.17Å; R488-H491 WeakPolarHBondContact O-CB 3.46Å; R488-H491 PolarHBondContact O-CD2 2.89Å; R488-H491 VanDerWaalsContact O-CD2 3.31Å |
| 489 | P | 54.4 | Low | 66 | Low | 53 Ų | 53 | 50.9 Ų | 50.9 | 34% | 0.344 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 142.4 | 175.3 | -25.8 | 34.2 | 0 | 0 | 0 | 112.4 | S469 H491 | S469-P489 VanDerWaalsContact OG-CG 3.29Å; S469-P489 WeakPolarHBondContact OG-CG 3.45Å; P489-H491 PolarHBondContact O-N 2.8Å |
| 490 | V | 58.2 | Low | 64.5 | Low | 63 Ų | 63 | 56.4 Ų | 56.4 | 38% | 0.382 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 48.7 | 179.2 | -158.2 | 0 | 0 | 0 | 0 | 112.5 | L464 S555 | L464-V490 CarbonylContact O-C 3.59Å; L464-V490 WeakPolarHBondContact O-CA 3.22Å; L464-V490 PolarHBondContact O-N 2.77Å; V490-S555 WeakPolarHBondContact O-CB 3.28Å; V490-S555 PolarHBondContact O-OG 3.4Å |
| 491 | H | 63.8 | Low | 62.9 | Low | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.06 | 32% | 0.318 | C | S | . | . | trans | -70.1 | -42.1 | -173.3 | -126.5 | -149.9 | 0 | 0 | 0 | 113.4 | L464 I487 R488 P489 S555 L567 | L464-H491 PolarHBondContact O-N 2.9Å; I487-H491 HydrophobicContact CG2-CB 4.16Å; R488-H491 PolarHBondContact N-CD2 2.94Å; R488-H491 PolarHBondContact N-NE2 3.31Å; R488-H491 VanDerWaalsContact N-NE2 3.17Å; R488-H491 WeakPolarHBondContact O-CB 3.46Å; R488-H491 PolarHBondContact O-CD2 2.89Å; R488-H491 VanDerWaalsContact O-CD2 3.31Å; P489-H491 PolarHBondContact O-N 2.8Å; H491-S555 PolarHBondContact O-N 2.92Å; H491-L567 WeakPolarHBondContact NE2-CD1 3.38Å | ||
| 492 | C | 69.9 | Low | 61.1 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 167.9 | 179.3 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | K463 L464 L552 T553 I568 | K463-C492 WeakPolarHBondContact CA-O 3.45Å; L464-C492 PolarHBondContact N-O 3.41Å; L464-C492 VanDerWaalsContact N-O 3.1Å; C492-L552 HydrophobicContact CB-CD1 3.68Å; C492-T553 CarbonylContact C-O 3.58Å; C492-T553 VanDerWaalsContact CA-O 3.26Å; C492-T553 WeakPolarHBondContact CA-O 3.48Å; C492-T553 WeakPolarHBondContact CB-O 3.24Å; C492-I568 HydrophobicContact CB-CD1 3.8Å |
| 493 | T | 73.7 | Confident | 59.1 | Low | 23 Ų | 23 | 63.3 Ų | 63.3 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 124 | -173.7 | -59.7 | 0 | 0 | 0 | 0 | 110 | P461 I462 K463 T553 | P461-T493 HydrophobicContact CB-CG2 3.28Å; P461-T493 HydrophobicContact CG-CG2 4.37Å; I462-T493 CarbonylContact O-C 3.53Å; I462-T493 WeakPolarHBondContact O-CA 3.34Å; K463-T493 HydrophobicContact CG-CG2 4.19Å; T493-T553 PolarHBondContact N-O 2.87Å; T493-T553 WeakPolarHBondContact O-CA 3.28Å; T493-T553 WeakPolarHBondContact O-CB 3.4Å; T493-T553 PolarHBondContact O-N 3.46Å; T493-T553 PolarHBondContact O-OG1 2.88Å |
| 494 | F | 80.9 | Confident | 57.2 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.2 | 175.8 | -60.6 | -81.1 | 0 | 0 | 0 | 111.9 | L430 P461 I462 L464 L550 L551 L552 I581 L587 | L430-F494 HydrophobicContact CD1-CD1 4.49Å; L430-F494 HydrophobicContact CD1-CD2 4.48Å; L430-F494 HydrophobicContact CD1-CE1 4.05Å; L430-F494 HydrophobicContact CD1-CE2 4.06Å; L430-F494 HydrophobicContact CD1-CZ 3.82Å; P461-F494 CarbonylContact C-O 3.55Å; P461-F494 VanDerWaalsContact CA-O 3.26Å; P461-F494 WeakPolarHBondContact CA-O 3.18Å; P461-F494 WeakPolarHBondContact CB-O 3.28Å; I462-F494 HydrophobicContact CB-CB 4.28Å; I462-F494 HydrophobicContact CB-CD2 4.36Å; I462-F494 HydrophobicContact CG2-CD2 4.13Å; I462-F494 PolarHBondContact N-O 3.26Å; I462-F494 PolarHBondContact O-N 3.35Å; L464-F494 HydrophobicContact CD1-CE2 3.73Å; L464-F494 HydrophobicContact CD1-CZ 4.38Å; L464-F494 HydrophobicContact CG-CE2 4.26Å; F494-L550 HydrophobicContact CB-CD1 4.2Å; F494-L550 HydrophobicContact CD1-CD2 3.79Å; F494-L550 HydrophobicContact CD1-CG 4.08Å; F494-L550 HydrophobicContact CE1-CD2 4.21Å; F494-L551 WeakPolarHBondContact CA-O 3.31Å; F494-L552 HydrophobicContact CD1-CB 4.47Å; F494-L552 HydrophobicContact CD1-CD1 4.12Å; F494-L552 HydrophobicContact CE1-CB 4.46Å; F494-L552 HydrophobicContact CE1-CD1 3.76Å; F494-L552 HydrophobicContact CZ-CD1 4.18Å; F494-I581 HydrophobicContact CD1-CD1 4.22Å; F494-I581 HydrophobicContact CE1-CD1 3.95Å; F494-L587 HydrophobicContact CE1-CD1 3.57Å; F494-L587 HydrophobicContact CZ-CD1 3.8Å |
| 495 | C | 73.2 | Confident | 54.9 | Low | 26 Ų | 26 | 67.3 Ų | 67.3 | 18% | 0.176 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.9 | 173.3 | -56.3 | 0 | 0 | 0 | 0 | 110 | L551 | C495-L551 HydrophobicContact CB-CB 4.27Å; C495-L551 HydrophobicContact CB-CD2 4.29Å; C495-L551 PolarHBondContact N-O 3.48Å; C495-L551 PolarHBondContact O-N 3.16Å |
| 496 | V | 69.7 | Low | 52.9 | Low | 40 Ų | 40 | 68.9 Ų | 68.9 | 24% | 0.242 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142.3 | 172.8 | 159.1 | 0 | 0 | 0 | 0 | 112.1 | L453 F454 L498 L550 | L453-V496 HydrophobicContact CB-CG2 4.14Å; L453-V496 HydrophobicContact CD2-CG2 3.68Å; L453-V496 HydrophobicContact CG-CB 4.42Å; L453-V496 HydrophobicContact CG-CG2 3.62Å; L453-V496 WeakPolarHBondContact O-CB 3.34Å; L453-V496 VanDerWaalsContact O-CG2 3.3Å; L453-V496 WeakPolarHBondContact O-CG2 3.22Å; F454-V496 HydrophobicContact CD1-CB 4.23Å; F454-V496 HydrophobicContact CD1-CG1 3.53Å; F454-V496 HydrophobicContact CD1-CG2 3.61Å; F454-V496 HydrophobicContact CD2-CG2 3.67Å; F454-V496 HydrophobicContact CE1-CB 4.11Å; F454-V496 HydrophobicContact CE1-CG1 3.54Å; F454-V496 HydrophobicContact CE1-CG2 3.42Å; F454-V496 VanDerWaalsContact CE1-CG2 3.42Å; F454-V496 HydrophobicContact CE2-CG2 3.5Å; F454-V496 HydrophobicContact CG-CG1 4.32Å; F454-V496 HydrophobicContact CG-CG2 3.75Å; F454-V496 HydrophobicContact CZ-CB 4.46Å; F454-V496 HydrophobicContact CZ-CG1 4.36Å; F454-V496 HydrophobicContact CZ-CG2 3.4Å; V496-L498 HydrophobicContact CG1-CD2 4.11Å; V496-L498 HydrophobicContact CG1-CG 3.87Å; V496-L550 HydrophobicContact CG2-CD1 4.31Å |
| 497 | V | 61.8 | Low | 50.8 | Low | 52 Ų | 52 | 73 Ų | 73 | 32% | 0.315 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 98 | 169.2 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | T499 S549 L551 L580 | V497-T499 HydrophobicContact CG1-CG2 4.48Å; V497-T499 PolarHBondContact O-N 3.45Å; V497-T499 VanDerWaalsContact O-N 3.16Å; V497-S549 PolarHBondContact N-O 3.41Å; V497-S549 PolarHBondContact O-N 2.68Å; V497-L551 HydrophobicContact CG2-CB 3.92Å; V497-L551 HydrophobicContact CG2-CD2 4.39Å; V497-L580 HydrophobicContact CB-CD2 3.99Å; V497-L580 HydrophobicContact CG1-CD2 4.44Å; V497-L580 HydrophobicContact CG2-CD2 3.97Å |
| 498 | L | 55.4 | Low | 48.7 | Very low | 95 Ų | 95 | 77.6 Ų | 77.6 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | trans | -73.3 | 101.1 | 170.4 | -68.2 | 176.2 | 0 | 0 | 0 | 109.4 | F454 V496 T500 Y548 | F454-L498 HydrophobicContact CD1-CD2 4.16Å; V496-L498 HydrophobicContact CG1-CD2 4.11Å; V496-L498 HydrophobicContact CG1-CG 3.87Å; L498-T500 PolarHBondContact O-N 2.93Å; L498-Y548 HydrophobicContact CD2-CD1 3.68Å; L498-Y548 HydrophobicContact CD2-CE1 3.9Å | ||
| 499 | T | 46.6 | Very low | 47.2 | Very low | 45 Ų | 45 | 77 Ų | 77 | 28% | 0.276 | 45% | 0.45 | S | S | . | . | trans | -74.5 | 88 | 168.6 | 37.6 | 0 | 0 | 0 | 0 | 109.2 | V497 N501 | V497-T499 HydrophobicContact CG1-CG2 4.48Å; V497-T499 PolarHBondContact O-N 3.45Å; V497-T499 VanDerWaalsContact O-N 3.16Å; T499-N501 PolarHBondContact O-N 3.38Å | ||
| 500 | T | 37.8 | Very low | 45.7 | Very low | 121 Ų | 121 | 80.3 Ų | 80.3 | 74% | 0.742 | 47% | 0.469 | S | S | * | . | trans | -69.3 | 79.7 | 172.6 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | L498 Q502 | L498-T500 PolarHBondContact O-N 2.93Å; T500-Q502 PolarHBondContact O-N 2.87Å; T500-Q502 VanDerWaalsContact O-N 3.16Å | ||
| 501 | N | 34.5 | Very low | 44.2 | Very low | 98 Ų | 98 | 83.7 Ų | 83.7 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | trans | -59.2 | 116.9 | 168.9 | -82.8 | -16.7 | 0 | 0 | 0 | 108.4 | T499 I503 | T499-N501 PolarHBondContact O-N 3.38Å; N501-I503 HydrophobicContact CB-CD1 4.3Å; N501-I503 HydrophobicContact CB-CG1 4.2Å; N501-I503 PolarHBondContact O-N 2.76Å | ||
| 502 | Q | 28.3 | Very low | 42.6 | Very low | 186 Ų | 186 | 88.7 Ų | 88.7 | 87% | 0.869 | 51% | 0.513 | S | S | * | . | trans | -74 | 65.1 | 172.1 | -72.4 | -174 | -21 | 0 | 0 | 110 | T500 T504 | T500-Q502 PolarHBondContact O-N 2.87Å; T500-Q502 VanDerWaalsContact O-N 3.16Å; Q502-T504 VanDerWaalsContact C-N 3.27Å; Q502-T504 PolarHBondContact O-N 3.17Å; Q502-T504 VanDerWaalsContact O-N 3.08Å | ||
| 503 | I | 27.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 94.3 Ų | 94.3 | 60% | 0.595 | 54% | 0.543 | S | S | * | . | trans | -80.5 | 86.1 | 166.6 | -64.5 | 173.1 | 0 | 0 | 0 | 106.5 | N501 T505 | N501-I503 HydrophobicContact CB-CD1 4.3Å; N501-I503 HydrophobicContact CB-CG1 4.2Å; N501-I503 PolarHBondContact O-N 2.76Å; I503-T505 HydrophobicContact CG2-CG2 3.59Å; I503-T505 PolarHBondContact O-N 3.05Å | ||
| 504 | T | 26.4 | Very low | 38.7 | Very low | 120 Ų | 120 | 98.8 Ų | 98.8 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | trans | -68.1 | 79.3 | 157.3 | 43.6 | 0 | 0 | 0 | 0 | 108.2 | Q502 T506 | Q502-T504 VanDerWaalsContact C-N 3.27Å; Q502-T504 PolarHBondContact O-N 3.17Å; Q502-T504 VanDerWaalsContact O-N 3.08Å; T504-T506 PolarHBondContact O-N 3.22Å | ||
| 505 | T | 26 | Very low | 36.1 | Very low | 106 Ų | 106 | 104.5 Ų | 104.5 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | trans | -72.7 | 70.6 | 167.8 | 19.4 | 0 | 0 | 0 | 0 | 110.2 | I503 T507 | I503-T505 HydrophobicContact CG2-CG2 3.59Å; I503-T505 PolarHBondContact O-N 3.05Å; T505-T507 PolarHBondContact O-N 2.87Å | ||
| 506 | T | 25.1 | Very low | 33.9 | Very low | 123 Ų | 123 | 109.4 Ų | 109.4 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | trans | -67.4 | 82.2 | 146.3 | 48 | 0 | 0 | 0 | 0 | 108.1 | T504 | T504-T506 PolarHBondContact O-N 3.22Š| ||
| 507 | T | 24.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 112.7 Ų | 112.7 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | trans | -93.1 | 134.5 | 148.9 | 49 | 0 | 0 | 0 | 0 | 106 | T505 | T505-T507 PolarHBondContact O-N 2.87Š| ||
| 508 | S | 25 | Very low | 30.1 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | S | Bend | cis | -82.4 | 134.9 | 28.3 | 56.8 | 0 | 0 | 0 | 0 | 117.9 | ||
| 509 | T | 27.3 | Very low | 28.7 | Very low | 114 Ų | 114 | 116.3 Ų | 116.3 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | trans | 32.3 | 112.8 | 136.1 | 58.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 510 | V | 23.7 | Very low | 27.6 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 74% | 0.739 | 69% | 0.692 | S | S | * | * | cis | 46.4 | 92.4 | 46.5 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 511 | N | 26.2 | Very low | 27.1 | Very low | 134 Ų | 134 | 121.1 Ų | 121.1 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | -157.8 | 139.3 | 109.2 | -107.1 | -18.1 | 0 | 0 | 0 | 114 | |||||
| 512 | N | 30.3 | Very low | 26.9 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | 72.5 | 97.7 | 146.3 | -59.7 | -5.7 | 0 | 0 | 0 | 121.3 | ||||
| 513 | N | 28.4 | Very low | 26.9 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 63% | 0.631 | 69% | 0.694 | S | S | * | * | 76.4 | 146.1 | 111.8 | -71.4 | 30.3 | 0 | 0 | 0 | 120.1 | |||||
| 514 | D | 33.2 | Very low | 26.9 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | cis | -138.4 | 133.9 | -8.3 | -98.4 | -41.4 | 0 | 0 | 0 | 107.9 | ||||
| 515 | N | 25.8 | Very low | 26.9 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | 51.4 | 112.7 | 81.5 | -58.4 | -48.9 | 0 | 0 | 0 | 111.8 | |||||
| 516 | T | 27.1 | Very low | 27 | Very low | 129 Ų | 129 | 121.4 Ų | 121.4 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | 172.1 | 164.1 | 85.7 | 38.4 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 517 | T | 27.4 | Very low | 27 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 67% | 0.669 | 70% | 0.703 | S | S | * | * | cis | -158.3 | 148.3 | 1.8 | 3.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 518 | T | 25.2 | Very low | 27 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | trans | 26.8 | 158 | 134.8 | 65.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 519 | T | 25.3 | Very low | 27.1 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 64% | 0.638 | 70% | 0.697 | S | S | * | * | cis | -161.2 | 170.9 | 18.7 | -14.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 520 | N | 25 | Very low | 27.2 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | trans | 57.2 | 113.7 | 148.5 | -64.1 | -13.6 | 0 | 0 | 0 | 118.8 | ||||
| 521 | N | 27.4 | Very low | 27.2 | Very low | 137 Ų | 137 | 126 Ų | 126 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | -170 | 152.2 | 60.7 | -97.5 | -38.2 | 0 | 0 | 0 | 114.4 | |||||
| 522 | N | 28.5 | Very low | 27.2 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | 60.9 | 105.3 | 150.5 | -60.8 | -14 | 0 | 0 | 0 | 121.5 | ||||
| 523 | N | 29 | Very low | 27.2 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | 77.5 | 93.8 | 133.6 | -58.8 | -5 | 0 | 0 | 0 | 121.2 | ||||
| 524 | T | 28.3 | Very low | 27.2 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | 27.2 | 151.9 | 103.5 | 59.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 525 | S | 25.6 | Very low | 26.9 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | cis | -176.6 | 152.7 | -21.7 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 526 | N | 29.3 | Very low | 27 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | 12.2 | 124.3 | 145.5 | -56.1 | -15.1 | 0 | 0 | 0 | 119 | A528 | N526-A528 VanDerWaalsContact C-N 3.27Å; N526-A528 PolarHBondContact O-N 3.44Å | ||
| 527 | T | 24.2 | Very low | 27.1 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -69.6 | 78.7 | 160.6 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 528 | A | 24.9 | Very low | 27.2 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 58% | 0.579 | 69% | 0.691 | S | S | * | * | trans | -145.9 | 138 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | N526 | N526-A528 VanDerWaalsContact C-N 3.27Å; N526-A528 PolarHBondContact O-N 3.44Å | ||
| 529 | Q | 26.9 | Very low | 27.3 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | trans | 67 | 171.8 | 179.5 | -43.5 | -170.6 | -21 | 0 | 0 | 112.9 | ||||
| 530 | K | 29.5 | Very low | 27.5 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | cis | -152.2 | 146.3 | 10.6 | -150.1 | 150.9 | -170.6 | 151.8 | 0 | 111.6 | K532 | K530-K532 PolarHBondContact O-N 3.04Š| ||
| 531 | W | 24.4 | Very low | 27.8 | Very low | 177 Ų | 177 | 125.9 Ų | 125.9 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | trans | -59.6 | 125.2 | 156 | -75.6 | 56.9 | 0 | 0 | 0 | 107.9 | L533 L551 | W531-L533 PolarHBondContact O-N 2.57Å; W531-L551 HydrophobicContact CE3-CD2 4.17Å; W531-L551 HydrophobicContact CZ3-CD2 4.26Å | ||
| 532 | K | 25.3 | Very low | 28.3 | Very low | 202 Ų | 202 | 126.1 Ų | 126.1 | 88% | 0.878 | 69% | 0.686 | S | S | * | * | trans | -72.7 | 96.7 | 179.8 | -77.6 | 179.8 | 178.2 | 170.8 | 0 | 110.3 | K530 | K530-K532 PolarHBondContact O-N 3.04Š| ||
| 533 | L | 30.2 | Very low | 28.7 | Very low | 80 Ų | 80 | 129 Ų | 129 | 42% | 0.419 | 70% | 0.695 | S | S | . | * | trans | -57.3 | 145.3 | 161.8 | -84.3 | 142.3 | 0 | 0 | 0 | 110.3 | W531 L580 | W531-L533 PolarHBondContact O-N 2.57Å; L533-L580 HydrophobicContact CD1-CD1 3.91Å; L533-L580 HydrophobicContact CD2-CD1 4.09Å; L533-L580 HydrophobicContact CD2-CG 4.09Å | ||
| 534 | P | 28.2 | Very low | 29.2 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 44% | 0.435 | 69% | 0.694 | S | S | . | * | trans | -59.4 | 139.1 | 178.1 | -24.6 | 34.5 | 0 | 0 | 0 | 112.6 | S536 P578 | P534-S536 PolarHBondContact O-N 3.22Å; P534-P578 WeakPolarHBondContact CD-O 3.4Å | ||
| 535 | K | 27.4 | Very low | 29.9 | Very low | 223 Ų | 223 | 125.2 Ų | 125.2 | 97% | 0.97 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -78 | 64.7 | 176 | -68.6 | -172.5 | 174 | -171.6 | 0 | 111.5 | ||
| 536 | S | 27.3 | Very low | 30.9 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 69% | 0.685 | 65% | 0.654 | S | S | * | * | trans | -157.4 | 46.2 | -177.2 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | P534 | P534-S536 PolarHBondContact O-N 3.22Š| ||
| 537 | V | 29 | Very low | 32.1 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | trans | -137.6 | 134 | 164.1 | -171.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 538 | S | 29.5 | Very low | 34 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | trans | -73.8 | 158.7 | 175.2 | 38.7 | 0 | 0 | 0 | 0 | 111.8 | P540 | S538-P540 WeakPolarHBondContact O-CD 3.5Š| ||
| 539 | T | 27.6 | Very low | 36 | Very low | 141 Ų | 141 | 114.3 Ų | 114.3 | 87% | 0.865 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 73.2 | -175 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 540 | P | 29.4 | Very low | 38.5 | Very low | 93 Ų | 93 | 106.7 Ų | 106.7 | 60% | 0.604 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -25.4 | 143.2 | 1 | 20.2 | 0 | 0 | 0 | 113.9 | S538 L542 | S538-P540 WeakPolarHBondContact O-CD 3.5Å; P540-L542 PolarHBondContact O-N 3.17Å |
| 541 | D | 32.2 | Very low | 40.9 | Very low | 88 Ų | 88 | 100 Ų | 100 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -77.7 | 8.5 | -161.8 | -60.3 | -50.9 | 0 | 0 | 0 | 116.1 | E543 F545 | D541-E543 PolarHBondContact O-N 3.44Å; D541-F545 WeakPolarHBondContact O-CE2 3.5Å |
| 542 | L | 37.2 | Very low | 43.8 | Very low | 143 Ų | 143 | 91.6 Ų | 91.6 | 75% | 0.749 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -77 | -20.3 | -173.2 | -117.6 | 75.2 | 0 | 0 | 0 | 114.5 | P540 N544 | P540-L542 PolarHBondContact O-N 3.17Å; L542-N544 VanDerWaalsContact C-N 3.34Å; L542-N544 PolarHBondContact O-N 2.98Å |
| 543 | E | 37.6 | Very low | 46.3 | Very low | 191 Ų | 191 | 83.3 Ų | 83.3 | 89% | 0.893 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -78.4 | -16.3 | -175.3 | -60.8 | -169.7 | 147.7 | 0 | 0 | 113.6 | D541 | D541-E543 PolarHBondContact O-N 3.44Š|
| 544 | N | 39.8 | Very low | 48.2 | Very low | 133 Ų | 133 | 80.2 Ų | 80.2 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -88.1 | 2.5 | -179.7 | -85.7 | -43 | 0 | 0 | 0 | 114.7 | L542 A546 | L542-N544 VanDerWaalsContact C-N 3.34Å; L542-N544 PolarHBondContact O-N 2.98Å; N544-A546 PolarHBondContact O-N 3.29Å |
| 545 | F | 42.4 | Very low | 49.9 | Very low | 51 Ų | 51 | 79.2 Ų | 79.2 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | trans | -87.4 | 84.6 | 175.5 | -70.4 | -79.6 | 0 | 0 | 0 | 111.4 | D541 L580 | D541-F545 WeakPolarHBondContact O-CE2 3.5Å; F545-L580 HydrophobicContact CE1-CB 4.13Å | ||
| 546 | A | 47.5 | Very low | 51 | Low | 45 Ų | 45 | 75.4 Ų | 75.4 | 37% | 0.372 | 43% | 0.429 | S | S | . | . | trans | -59 | 166.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N544 Y548 | N544-A546 PolarHBondContact O-N 3.29Å; A546-Y548 PolarHBondContact O-N 2.89Å | ||
| 547 | N | 54.4 | Low | 51.9 | Low | 86 Ų | 86 | 76 Ų | 76 | 46% | 0.46 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -54.6 | -10.4 | -166.9 | -60.7 | -19.1 | 0 | 0 | 0 | 116.9 | ||
| 548 | Y | 62.4 | Low | 52.3 | Low | 65 Ų | 65 | 73.3 Ų | 73.3 | 26% | 0.255 | 42% | 0.42 | S | S | . | . | trans | -122.6 | 89.9 | -177.6 | -60.6 | -48 | 0 | 0 | 0 | 110.8 | F454 L498 A546 Y597 Q599 | F454-Y548 AromaticContact CD1-CD1 3.54Å; F454-Y548 HydrophobicContact CD1-CD1 3.54Å; F454-Y548 HydrophobicContact CD1-CE1 4.38Å; F454-Y548 HydrophobicContact CD1-CG 4.01Å; F454-Y548 VanDerWaalsContact CE1-CB 3.47Å; F454-Y548 AromaticContact CE1-CD1 3.93Å; F454-Y548 HydrophobicContact CE1-CD1 3.93Å; F454-Y548 HydrophobicContact CE1-CG 4.07Å; F454-Y548 HydrophobicContact CG-CD1 4.41Å; L498-Y548 HydrophobicContact CD2-CD1 3.68Å; L498-Y548 HydrophobicContact CD2-CE1 3.9Å; A546-Y548 PolarHBondContact O-N 2.89Å; Y548-Y597 PolarHBondContact O-OH 3.49Å; Y548-Q599 HydrophobicContact CD2-CG 4.31Å; Y548-Q599 PolarHBondContact O-OE1 3.28Å | ||
| 549 | S | 68.3 | Low | 52.5 | Low | 3 Ų | 3 | 79.7 Ų | 79.7 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.7 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 112 | V497 | V497-S549 PolarHBondContact N-O 3.41Å; V497-S549 PolarHBondContact O-N 2.68Å |
| 550 | L | 78.6 | Confident | 52.8 | Low | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.6 | -177.5 | -170.5 | 69.5 | 0 | 0 | 0 | 110.4 | L430 L450 L453 F454 F494 V496 I581 Y597 | L430-L550 HydrophobicContact CD1-CD2 4.23Å; L430-L550 HydrophobicContact CD2-CD2 4.42Å; L430-L550 HydrophobicContact CG-CD2 4.43Å; L450-L550 HydrophobicContact CD1-CD1 4.14Å; L450-L550 HydrophobicContact CD1-CD2 3.89Å; L453-L550 HydrophobicContact CD2-CD1 3.8Å; F454-L550 HydrophobicContact CE2-CD1 4.43Å; F494-L550 HydrophobicContact CB-CD1 4.2Å; F494-L550 HydrophobicContact CD1-CD2 3.79Å; F494-L550 HydrophobicContact CD1-CG 4.08Å; F494-L550 HydrophobicContact CE1-CD2 4.21Å; V496-L550 HydrophobicContact CG2-CD1 4.31Å; L550-I581 HydrophobicContact CB-CB 4.3Å; L550-I581 HydrophobicContact CB-CD1 4.41Å; L550-I581 HydrophobicContact CD2-CD1 3.91Å; L550-I581 HydrophobicContact CG-CD1 4.17Å; L550-I581 WeakPolarHBondContact O-CB 3.33Å; L550-I581 PolarHBondContact O-N 2.87Å; L550-Y597 HydrophobicContact CB-CD2 4.37Å; L550-Y597 HydrophobicContact CB-CE1 4.35Å; L550-Y597 HydrophobicContact CB-CE2 4.01Å; L550-Y597 HydrophobicContact CD2-CD2 3.75Å; L550-Y597 HydrophobicContact CD2-CE2 3.98Å; L550-Y597 HydrophobicContact CD2-CG 4.34Å |
| 551 | L | 81.4 | Confident | 53 | Low | 13 Ų | 13 | 82.2 Ų | 82.2 | 7% | 0.068 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.4 | 178.4 | -179.1 | 76.3 | 0 | 0 | 0 | 109.9 | F494 C495 V497 W531 P578 L580 | F494-L551 WeakPolarHBondContact CA-O 3.31Å; C495-L551 HydrophobicContact CB-CB 4.27Å; C495-L551 HydrophobicContact CB-CD2 4.29Å; C495-L551 PolarHBondContact N-O 3.48Å; C495-L551 PolarHBondContact O-N 3.16Å; V497-L551 HydrophobicContact CG2-CB 3.92Å; V497-L551 HydrophobicContact CG2-CD2 4.39Å; W531-L551 HydrophobicContact CE3-CD2 4.17Å; W531-L551 HydrophobicContact CZ3-CD2 4.26Å; L551-P578 HydrophobicContact CD1-CB 4.2Å; L551-L580 HydrophobicContact CB-CD2 4.21Å; L551-L580 HydrophobicContact CD1-CD2 4.13Å; L551-L580 HydrophobicContact CD1-CG 4.23Å |
| 552 | L | 83.7 | Confident | 53.1 | Low | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.9 | 172.6 | 172.3 | 64.4 | 0 | 0 | 0 | 110.5 | C492 F494 I568 V570 P578 I579 I581 | C492-L552 HydrophobicContact CB-CD1 3.68Å; F494-L552 HydrophobicContact CD1-CB 4.47Å; F494-L552 HydrophobicContact CD1-CD1 4.12Å; F494-L552 HydrophobicContact CE1-CB 4.46Å; F494-L552 HydrophobicContact CE1-CD1 3.76Å; F494-L552 HydrophobicContact CZ-CD1 4.18Å; L552-I568 HydrophobicContact CD2-CG2 3.92Å; L552-V570 HydrophobicContact CD2-CG2 3.69Å; L552-P578 WeakPolarHBondContact O-CA 3.3Å; L552-I579 HydrophobicContact CB-CG2 3.98Å; L552-I579 HydrophobicContact CD2-CG2 4.25Å; L552-I579 HydrophobicContact CG-CG2 4.37Å; L552-I579 PolarHBondContact N-O 3.16Å; L552-I579 PolarHBondContact O-N 3.35Å; L552-I581 HydrophobicContact CB-CD1 3.66Å; L552-I581 HydrophobicContact CB-CG1 4.08Å |
| 553 | T | 78.2 | Confident | 52.7 | Low | 28 Ų | 28 | 82.1 Ų | 82.1 | 17% | 0.172 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 105.1 | 177.3 | -21.4 | 0 | 0 | 0 | 0 | 108.6 | C492 T493 P578 | C492-T553 CarbonylContact C-O 3.58Å; C492-T553 VanDerWaalsContact CA-O 3.26Å; C492-T553 WeakPolarHBondContact CA-O 3.48Å; C492-T553 WeakPolarHBondContact CB-O 3.24Å; T493-T553 PolarHBondContact N-O 2.87Å; T493-T553 WeakPolarHBondContact O-CA 3.28Å; T493-T553 WeakPolarHBondContact O-CB 3.4Å; T493-T553 PolarHBondContact O-N 3.46Å; T493-T553 PolarHBondContact O-OG1 2.88Å; T553-P578 HydrophobicContact CG2-CB 4.29Å; T553-P578 HydrophobicContact CG2-CG 4Å |
| 554 | P | 71 | Confident | 52.8 | Low | 15 Ų | 15 | 75.7 Ų | 75.7 | 10% | 0.097 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 140.1 | 170.2 | 30.9 | -36.3 | 0 | 0 | 0 | 109.3 | L556 I568 V575 G577 | P554-L556 PolarHBondContact O-N 2.84Å; P554-I568 HydrophobicContact CB-CD1 3.6Å; P554-V575 HydrophobicContact CG-CG1 4.1Å; P554-G577 VanDerWaalsContact CD-O 3.23Å; P554-G577 WeakPolarHBondContact CD-O 3.12Å |
| 555 | S | 63.7 | Low | 53.1 | Low | 46 Ų | 46 | 74.2 Ų | 74.2 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | trans | -71.8 | 131.9 | -177.7 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | V490 H491 | V490-S555 WeakPolarHBondContact O-CB 3.28Å; V490-S555 PolarHBondContact O-OG 3.4Å; H491-S555 PolarHBondContact O-N 2.92Å | ||
| 556 | L | 50.5 | Low | 53.6 | Low | 142 Ų | 142 | 73.1 Ų | 73.1 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | trans | -104.4 | 69.9 | -178.6 | -73.2 | 171.4 | 0 | 0 | 0 | 110.4 | P554 G558 | P554-L556 PolarHBondContact O-N 2.84Å; L556-G558 PolarHBondContact O-N 3.2Å | ||
| 557 | D | 45.5 | Very low | 54.4 | Low | 112 Ų | 112 | 73.1 Ų | 73.1 | 60% | 0.599 | 43% | 0.432 | S | S | * | . | trans | -64.6 | 97 | 171.9 | -76.1 | -23.8 | 0 | 0 | 0 | 110.7 | ||||
| 558 | G | 38.3 | Very low | 55.5 | Low | 57 Ų | 57 | 69.6 Ų | 69.6 | 59% | 0.588 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 146.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L556 | L556-G558 PolarHBondContact O-N 3.2Š|
| 559 | F | 33.7 | Very low | 56.3 | Low | 222 Ų | 222 | 71.6 Ų | 71.6 | 97% | 0.974 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 30.7 | 172.6 | -54.8 | -79.7 | 0 | 0 | 0 | 118.9 | ||
| 560 | A | 33.3 | Very low | 57.1 | Low | 83 Ų | 83 | 72 Ų | 72 | 69% | 0.686 | 42% | 0.422 | S | S | * | . | trans | -142.9 | 146.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P562 | A560-P562 WeakPolarHBondContact O-CD 3.43Š| ||
| 561 | K | 32.9 | Very low | 57.4 | Low | 204 Ų | 204 | 76.5 Ų | 76.5 | 89% | 0.887 | 45% | 0.446 | S | S | * | . | trans | -84.2 | 121.6 | 170.8 | -79.7 | -176.8 | 177.1 | 178.2 | 0 | 110.1 | P563 | K561-P563 WeakPolarHBondContact O-CD 3.44Š| ||
| 562 | P | 34.4 | Very low | 57.3 | Low | 94 Ų | 94 | 78.1 Ų | 78.1 | 61% | 0.61 | 47% | 0.466 | S | S | * | . | trans | -102.8 | 105.6 | 165.2 | 33.3 | -22 | 0 | 0 | 0 | 110.6 | A560 G564 | A560-P562 WeakPolarHBondContact O-CD 3.43Å; P562-G564 PolarHBondContact O-N 3.36Å | ||
| 563 | P | 29.6 | Very low | 57 | Low | 134 Ų | 134 | 82.6 Ų | 82.6 | 87% | 0.87 | 49% | 0.494 | S | S | * | . | trans | -76.4 | 99.1 | 163.2 | 31 | -30.3 | 0 | 0 | 0 | 109 | K561 | K561-P563 WeakPolarHBondContact O-CD 3.44Š| ||
| 564 | G | 39.5 | Very low | 56.8 | Low | 57 Ų | 57 | 88.5 Ų | 88.5 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -175.8 | 164.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P562 | P562-G564 PolarHBondContact O-N 3.36Š|
| 565 | P | 46.9 | Very low | 56.9 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 66% | 0.662 | 51% | 0.512 | S | S | * | . | trans | -66.7 | 161.1 | 175.9 | 29.8 | -35.2 | 0 | 0 | 0 | 111.7 | ||||
| 566 | A | 51.9 | Low | 56.9 | Low | 28 Ų | 28 | 91 Ų | 91 | 23% | 0.231 | 53% | 0.526 | C | S | . | . | trans | -69.5 | 132.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R574 | A566-R574 HydrophobicContact CB-CG 3.63Å; A566-R574 VanDerWaalsContact CB-NE 3.33Å | ||
| 567 | L | 65.2 | Low | 57.7 | Low | 45 Ų | 45 | 84.8 Ų | 84.8 | 24% | 0.236 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -95.9 | 9.8 | -173.8 | -56.8 | 169.3 | 0 | 0 | 0 | 113.6 | H491 G590 | H491-L567 WeakPolarHBondContact NE2-CD1 3.38Å; L567-G590 PolarHBondContact O-N 3.08Å |
| 568 | I | 76.5 | Confident | 59.1 | Low | 12 Ų | 12 | 81.3 Ų | 81.3 | 6% | 0.062 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 127.4 | -179.8 | -59.3 | 176.8 | 0 | 0 | 0 | 109.9 | C492 L552 P554 V575 Q588 L589 | C492-I568 HydrophobicContact CB-CD1 3.8Å; L552-I568 HydrophobicContact CD2-CG2 3.92Å; P554-I568 HydrophobicContact CB-CD1 3.6Å; I568-V575 HydrophobicContact CG2-CB 4.03Å; I568-V575 HydrophobicContact CG2-CG2 4.36Å; I568-V575 PolarHBondContact O-N 3.28Å; I568-V575 VanDerWaalsContact O-N 3.12Å; I568-Q588 WeakPolarHBondContact CA-O 3.3Å; I568-L589 HydrophobicContact CB-CD2 4.46Å; I568-L589 HydrophobicContact CD1-CD2 4.45Å; I568-L589 HydrophobicContact CG1-CD2 3.93Å; I568-L589 HydrophobicContact CG2-CD2 4.08Å |
| 569 | R | 79.5 | Confident | 61.1 | Low | 107 Ų | 107 | 80.8 Ų | 80.8 | 40% | 0.404 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.5 | 171.2 | -63.6 | 166.8 | -179.7 | -100.4 | 10.5 | 111.2 | G572 T573 L587 Q588 | R569-G572 WeakPolarHBondContact CD-O 3.22Å; R569-G572 PolarHBondContact NH1-O 2.86Å; R569-T573 CarbonylContact C-O 3.6Å; R569-T573 WeakPolarHBondContact CA-O 3.3Å; R569-T573 WeakPolarHBondContact CB-O 3.46Å; R569-L587 CarbonylContact O-C 3.43Å; R569-L587 WeakPolarHBondContact O-CA 3.21Å; R569-Q588 HydrophobicContact CB-CB 4.21Å; R569-Q588 PolarHBondContact N-O 3.1Å; R569-Q588 PolarHBondContact O-N 2.96Å |
| 570 | V | 84.9 | Confident | 63.2 | Low | 12 Ų | 12 | 72.2 Ų | 72.2 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125 | 170.4 | 175.9 | 0 | 0 | 0 | 0 | 107.5 | L552 G572 T573 V575 I579 A585 I586 L587 | L552-V570 HydrophobicContact CD2-CG2 3.69Å; V570-G572 VanDerWaalsContact C-N 3.26Å; V570-G572 PolarHBondContact O-N 3.37Å; V570-T573 PolarHBondContact N-O 3.06Å; V570-T573 WeakPolarHBondContact O-CA 3.27Å; V570-T573 VanDerWaalsContact O-CB 3.3Å; V570-T573 WeakPolarHBondContact O-CB 3.22Å; V570-T573 PolarHBondContact O-N 3.33Å; V570-V575 HydrophobicContact CB-CG2 4.06Å; V570-V575 HydrophobicContact CG2-CG2 3.65Å; V570-I579 HydrophobicContact CG2-CG2 4.24Å; V570-A585 HydrophobicContact CG1-CB 4.45Å; V570-I586 CarbonylContact C-O 3.57Å; V570-I586 WeakPolarHBondContact CA-O 3.5Å; V570-L587 HydrophobicContact CB-CD2 4.5Å; V570-L587 HydrophobicContact CG1-CD2 4.18Å; V570-L587 HydrophobicContact CG2-CD2 3.77Å |
| 571 | N | 84.7 | Confident | 65.5 | Low | 93 Ų | 93 | 68.3 Ų | 68.3 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 50.7 | -172.9 | -61.5 | -15.2 | 0 | 0 | 0 | 111.6 | T573 A585 I586 | N571-T573 PolarHBondContact O-N 3.36Å; N571-A585 WeakPolarHBondContact OD1-CA 3.41Å; N571-A585 WeakPolarHBondContact OD1-CB 3.47Å; N571-I586 PolarHBondContact N-O 3.26Å; N571-I586 PolarHBondContact OD1-N 2.93Å |
| 572 | G | 79.1 | Confident | 67.5 | Low | 48 Ų | 48 | 60.4 Ų | 60.4 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | -18.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116 | R569 V570 | R569-G572 WeakPolarHBondContact CD-O 3.22Å; R569-G572 PolarHBondContact NH1-O 2.86Å; V570-G572 VanDerWaalsContact C-N 3.26Å; V570-G572 PolarHBondContact O-N 3.37Å |
| 573 | T | 77.2 | Confident | 69.6 | Low | 93 Ų | 93 | 58.2 Ų | 58.2 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 128.9 | -175.5 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | R569 V570 N571 V575 | R569-T573 CarbonylContact C-O 3.6Å; R569-T573 WeakPolarHBondContact CA-O 3.3Å; R569-T573 WeakPolarHBondContact CB-O 3.46Å; V570-T573 PolarHBondContact N-O 3.06Å; V570-T573 WeakPolarHBondContact O-CA 3.27Å; V570-T573 VanDerWaalsContact O-CB 3.3Å; V570-T573 WeakPolarHBondContact O-CB 3.22Å; V570-T573 PolarHBondContact O-N 3.33Å; N571-T573 PolarHBondContact O-N 3.36Å; T573-V575 PolarHBondContact O-N 3.34Å |
| 574 | R | 74.2 | Confident | 72 | Confident | 152 Ų | 152 | 55.9 Ų | 55.9 | 57% | 0.574 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 128.8 | 178.8 | 174.7 | -176.6 | 177.8 | 159.7 | 9.9 | 111.1 | A566 T576 | A566-R574 HydrophobicContact CB-CG 3.63Å; A566-R574 VanDerWaalsContact CB-NE 3.33Å; R574-T576 HydrophobicContact CG-CG2 4.18Å |
| 575 | V | 73.2 | Confident | 74 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 136.5 | 173.6 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | P554 I568 V570 T573 G577 I579 | P554-V575 HydrophobicContact CG-CG1 4.1Å; I568-V575 HydrophobicContact CG2-CB 4.03Å; I568-V575 HydrophobicContact CG2-CG2 4.36Å; I568-V575 PolarHBondContact O-N 3.28Å; I568-V575 VanDerWaalsContact O-N 3.12Å; V570-V575 HydrophobicContact CB-CG2 4.06Å; V570-V575 HydrophobicContact CG2-CG2 3.65Å; T573-V575 PolarHBondContact O-N 3.34Å; V575-G577 WeakPolarHBondContact CG1-O 3.3Å; V575-I579 HydrophobicContact CG1-CB 4.19Å; V575-I579 HydrophobicContact CG1-CG2 3.65Å; V575-I579 HydrophobicContact CG2-CD1 4.2Å; V575-I579 HydrophobicContact CG2-CG2 3.99Å |
| 576 | T | 63.5 | Low | 75.7 | Confident | 101 Ų | 101 | 50.2 Ų | 50.2 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | trans | -131.8 | 2 | 178.7 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | R574 | R574-T576 HydrophobicContact CG-CG2 4.18Š| ||
| 577 | G | 68.4 | Low | 77.3 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -163.8 | -173.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P554 V575 I579 | P554-G577 VanDerWaalsContact CD-O 3.23Å; P554-G577 WeakPolarHBondContact CD-O 3.12Å; V575-G577 WeakPolarHBondContact CG1-O 3.3Å; G577-I579 PolarHBondContact O-N 2.93Å |
| 578 | P | 73.2 | Confident | 78.3 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 25% | 0.247 | 27% | 0.265 | C | S | . | . | trans | -60 | 131.8 | -177.7 | -19.7 | 30.6 | 0 | 0 | 0 | 112.3 | P534 L551 L552 T553 | P534-P578 WeakPolarHBondContact CD-O 3.4Å; L551-P578 HydrophobicContact CD1-CB 4.2Å; L552-P578 WeakPolarHBondContact O-CA 3.3Å; T553-P578 HydrophobicContact CG2-CB 4.29Å; T553-P578 HydrophobicContact CG2-CG 4Å | ||
| 579 | I | 80.4 | Confident | 78.5 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141 | -179.2 | -166.6 | 170.3 | 0 | 0 | 0 | 111.4 | L552 V570 V575 G577 | L552-I579 HydrophobicContact CB-CG2 3.98Å; L552-I579 HydrophobicContact CD2-CG2 4.25Å; L552-I579 HydrophobicContact CG-CG2 4.37Å; L552-I579 PolarHBondContact N-O 3.16Å; L552-I579 PolarHBondContact O-N 3.35Å; V570-I579 HydrophobicContact CG2-CG2 4.24Å; V575-I579 HydrophobicContact CG1-CB 4.19Å; V575-I579 HydrophobicContact CG1-CG2 3.65Å; V575-I579 HydrophobicContact CG2-CD1 4.2Å; V575-I579 HydrophobicContact CG2-CG2 3.99Å; G577-I579 PolarHBondContact O-N 2.93Å |
| 580 | L | 79.3 | Confident | 78.4 | Confident | 41 Ų | 41 | 43 Ų | 43 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 136.8 | 171.6 | -75.9 | 167.6 | 0 | 0 | 0 | 110.5 | V497 L533 F545 L551 | V497-L580 HydrophobicContact CB-CD2 3.99Å; V497-L580 HydrophobicContact CG1-CD2 4.44Å; V497-L580 HydrophobicContact CG2-CD2 3.97Å; L533-L580 HydrophobicContact CD1-CD1 3.91Å; L533-L580 HydrophobicContact CD2-CD1 4.09Å; L533-L580 HydrophobicContact CD2-CG 4.09Å; F545-L580 HydrophobicContact CE1-CB 4.13Å; L551-L580 HydrophobicContact CB-CD2 4.21Å; L551-L580 HydrophobicContact CD1-CD2 4.13Å; L551-L580 HydrophobicContact CD1-CG 4.23Å |
| 581 | I | 80.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.4 | 176.2 | -57.6 | 165.3 | 0 | 0 | 0 | 107.8 | F494 L550 L552 A585 L587 Y597 | F494-I581 HydrophobicContact CD1-CD1 4.22Å; F494-I581 HydrophobicContact CE1-CD1 3.95Å; L550-I581 HydrophobicContact CB-CB 4.3Å; L550-I581 HydrophobicContact CB-CD1 4.41Å; L550-I581 HydrophobicContact CD2-CD1 3.91Å; L550-I581 HydrophobicContact CG-CD1 4.17Å; L550-I581 WeakPolarHBondContact O-CB 3.33Å; L550-I581 PolarHBondContact O-N 2.87Å; L552-I581 HydrophobicContact CB-CD1 3.66Å; L552-I581 HydrophobicContact CB-CG1 4.08Å; I581-A585 HydrophobicContact CG2-CB 3.8Å; I581-L587 HydrophobicContact CD1-CD1 3.79Å; I581-L587 HydrophobicContact CD1-CD2 3.54Å; I581-L587 HydrophobicContact CD1-CG 4.33Å; I581-L587 HydrophobicContact CG1-CD2 3.77Å; I581-L587 HydrophobicContact CG2-CD2 3.89Å; I581-Y597 HydrophobicContact CG2-CD1 3.93Å; I581-Y597 HydrophobicContact CG2-CG 4.06Å |
| 582 | S | 75.8 | Confident | 77.5 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 159.4 | 171.5 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | A585 Y597 | S582-A585 WeakPolarHBondContact O-CB 3.3Å; S582-A585 PolarHBondContact O-N 2.98Å; S582-A585 VanDerWaalsContact O-N 3.14Å; S582-Y597 WeakPolarHBondContact O-CD1 3.47Å |
| 583 | N | 78.4 | Confident | 77.7 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 143.6 | 177 | -167.8 | 10.5 | 0 | 0 | 0 | 111.5 | A585 Q599 | N583-A585 PolarHBondContact O-N 2.82Å; N583-Q599 HydrophobicContact CB-CB 4.38Å; N583-Q599 PolarHBondContact ND2-O 2.81Å; N583-Q599 PolarHBondContact OD1-N 2.82Å |
| 584 | N | 79.5 | Confident | 78 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 0.8 | -172.1 | -71.4 | -70.8 | 0 | 0 | 0 | 117.1 | K596 Y597 | N584-K596 WeakPolarHBondContact OD1-CE 3.09Å; N584-K596 PolarHBondContact OD1-NZ 2.83Å; N584-Y597 WeakPolarHBondContact CA-O 3.4Å; N584-Y597 PolarHBondContact N-O 3.19Å |
| 585 | A | 82.5 | Confident | 78.6 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -67.4 | 144 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V570 N571 I581 S582 N583 Y597 | V570-A585 HydrophobicContact CG1-CB 4.45Å; N571-A585 WeakPolarHBondContact OD1-CA 3.41Å; N571-A585 WeakPolarHBondContact OD1-CB 3.47Å; I581-A585 HydrophobicContact CG2-CB 3.8Å; S582-A585 WeakPolarHBondContact O-CB 3.3Å; S582-A585 PolarHBondContact O-N 2.98Å; S582-A585 VanDerWaalsContact O-N 3.14Å; N583-A585 PolarHBondContact O-N 2.82Å; A585-Y597 PolarHBondContact O-N 3.18Å | ||
| 586 | I | 81.4 | Confident | 79.2 | Confident | 38 Ų | 38 | 37.6 Ų | 37.6 | 20% | 0.195 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.4 | -177 | -57.2 | 173.8 | 0 | 0 | 0 | 109.5 | V433 V570 N571 Y594 L595 K596 | V433-I586 HydrophobicContact CG2-CG2 4.29Å; V570-I586 CarbonylContact C-O 3.57Å; V570-I586 WeakPolarHBondContact CA-O 3.5Å; N571-I586 PolarHBondContact N-O 3.26Å; N571-I586 PolarHBondContact OD1-N 2.93Å; I586-Y594 HydrophobicContact CG2-CD1 4.37Å; I586-L595 CarbonylContact C-O 3.58Å; I586-L595 WeakPolarHBondContact CA-O 3.39Å; I586-K596 HydrophobicContact CG1-CG 4.37Å |
| 587 | L | 86 | Confident | 80.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.6 | 179.9 | -37.5 | 178.1 | 0 | 0 | 0 | 108.3 | L430 F494 R569 V570 I581 Y594 L595 | L430-L587 HydrophobicContact CD2-CD1 3.67Å; F494-L587 HydrophobicContact CE1-CD1 3.57Å; F494-L587 HydrophobicContact CZ-CD1 3.8Å; R569-L587 CarbonylContact O-C 3.43Å; R569-L587 WeakPolarHBondContact O-CA 3.21Å; V570-L587 HydrophobicContact CB-CD2 4.5Å; V570-L587 HydrophobicContact CG1-CD2 4.18Å; V570-L587 HydrophobicContact CG2-CD2 3.77Å; I581-L587 HydrophobicContact CD1-CD1 3.79Å; I581-L587 HydrophobicContact CD1-CD2 3.54Å; I581-L587 HydrophobicContact CD1-CG 4.33Å; I581-L587 HydrophobicContact CG1-CD2 3.77Å; I581-L587 HydrophobicContact CG2-CD2 3.89Å; L587-Y594 CarbonylContact O-C 3.52Å; L587-Y594 WeakPolarHBondContact O-CA 3.34Å; L587-L595 HydrophobicContact CB-CB 4.35Å; L587-L595 HydrophobicContact CD1-CB 4.38Å; L587-L595 PolarHBondContact N-O 2.88Å; L587-L595 PolarHBondContact O-N 3.45Å |
| 588 | Q | 85.6 | Confident | 80.7 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 16% | 0.159 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.9 | 170.9 | -170.4 | -177.6 | 14.5 | 0 | 0 | 109.1 | I568 R569 K591 L593 Y594 | I568-Q588 WeakPolarHBondContact CA-O 3.3Å; R569-Q588 HydrophobicContact CB-CB 4.21Å; R569-Q588 PolarHBondContact N-O 3.1Å; R569-Q588 PolarHBondContact O-N 2.96Å; Q588-K591 PolarHBondContact NE2-O 3.5Å; Q588-L593 WeakPolarHBondContact CA-O 3.41Å; Q588-Y594 HydrophobicContact CB-CD1 3.99Å; Q588-Y594 HydrophobicContact CB-CE1 4.04Å; Q588-Y594 HydrophobicContact CG-CD1 3.86Å; Q588-Y594 HydrophobicContact CG-CE1 3.57Å; Q588-Y594 HydrophobicContact CG-CE2 4.33Å; Q588-Y594 HydrophobicContact CG-CG 4.37Å; Q588-Y594 PolarHBondContact NE2-OH 3.44Å |
| 589 | L | 82 | Confident | 80.5 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.2 | 177.5 | -58.2 | 178.9 | 0 | 0 | 0 | 108.8 | L464 I487 I568 L593 L595 | L464-L589 HydrophobicContact CD1-CD1 3.4Å; L464-L589 VanDerWaalsContact CD1-CD1 3.4Å; I487-L589 HydrophobicContact CD1-CB 4Å; I568-L589 HydrophobicContact CB-CD2 4.46Å; I568-L589 HydrophobicContact CD1-CD2 4.45Å; I568-L589 HydrophobicContact CG1-CD2 3.93Å; I568-L589 HydrophobicContact CG2-CD2 4.08Å; L589-L593 HydrophobicContact CB-CB 4.26Å; L589-L593 HydrophobicContact CB-CD2 4.29Å; L589-L593 HydrophobicContact CB-CG 4.48Å; L589-L593 HydrophobicContact CD1-CD2 4.09Å; L589-L593 PolarHBondContact N-O 3.23Å; L589-L593 PolarHBondContact O-N 3.32Å; L589-L595 HydrophobicContact CD1-CD1 3.97Å |
| 590 | G | 77.2 | Confident | 79.5 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -139.5 | -160.8 | 0 | 0 | 0 | 0 | 0 | 111 | D486 L567 | D486-G590 VanDerWaalsContact OD2-C 3.32Å; D486-G590 VanDerWaalsContact OD2-CA 3.23Å; D486-G590 WeakPolarHBondContact OD2-CA 3.44Å; L567-G590 PolarHBondContact O-N 3.08Å |
| 591 | K | 74.3 | Confident | 78 | Confident | 147 Ų | 147 | 36.7 Ų | 36.7 | 64% | 0.639 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -19.4 | 168.4 | -61.6 | 171.3 | -178.7 | 179.2 | 0 | 112.2 | D486 Q588 Y594 | D486-K591 WeakPolarHBondContact OD2-CB 3.31Å; D486-K591 WeakPolarHBondContact OD2-CG 3.5Å; D486-K591 PolarHBondContact OD2-N 2.94Å; Q588-K591 PolarHBondContact NE2-O 3.5Å; K591-Y594 WeakPolarHBondContact O-CE2 3.06Å |
| 592 | T | 75.6 | Confident | 75.9 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 36% | 0.362 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -31.9 | -157.3 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | H484 D486 | H484-T592 WeakPolarHBondContact ND1-CB 3.38Å; H484-T592 PolarHBondContact ND1-OG1 2.76Å; D486-T592 PolarHBondContact OD1-OG1 3.45Å |
| 593 | L | 83 | Confident | 73.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.2 | 180 | -179.6 | 60.3 | 0 | 0 | 0 | 110.8 | E432 F446 I479 I487 Q588 L589 L595 | E432-L593 HydrophobicContact CG-CD1 4.01Å; E432-L593 VanDerWaalsContact OE1-CD1 3.28Å; E432-L593 WeakPolarHBondContact OE1-CD1 3.47Å; F446-L593 HydrophobicContact CE1-CD1 3.71Å; F446-L593 HydrophobicContact CZ-CD1 3.81Å; F446-L593 HydrophobicContact CZ-CD2 4Å; I479-L593 HydrophobicContact CD1-CD2 3.58Å; I479-L593 HydrophobicContact CG1-CD2 4.24Å; I487-L593 HydrophobicContact CD1-CB 3.73Å; I487-L593 HydrophobicContact CD1-CD2 3.88Å; I487-L593 HydrophobicContact CD1-CG 4.47Å; Q588-L593 WeakPolarHBondContact CA-O 3.41Å; L589-L593 HydrophobicContact CB-CB 4.26Å; L589-L593 HydrophobicContact CB-CD2 4.29Å; L589-L593 HydrophobicContact CB-CG 4.48Å; L589-L593 HydrophobicContact CD1-CD2 4.09Å; L589-L593 PolarHBondContact N-O 3.23Å; L589-L593 PolarHBondContact O-N 3.32Å; L593-L595 HydrophobicContact CD1-CD2 3.93Å; L593-L595 HydrophobicContact CD1-CG 4.32Å; L593-L595 HydrophobicContact CD2-CD1 4.39Å; L593-L595 HydrophobicContact CD2-CG 4.39Å; L593-L595 HydrophobicContact CG-CD2 4.3Å; L593-L595 HydrophobicContact CG-CG 4.16Å |
| 594 | Y | 85 | Confident | 71.1 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.1 | 173.6 | -62.4 | -108.1 | 0 | 0 | 0 | 109.2 | E432 V433 G435 I586 L587 Q588 K591 | E432-Y594 WeakPolarHBondContact CA-O 3.35Å; V433-Y594 PolarHBondContact N-O 2.93Å; G435-Y594 VanDerWaalsContact CA-CD2 3.44Å; I586-Y594 HydrophobicContact CG2-CD1 4.37Å; L587-Y594 CarbonylContact O-C 3.52Å; L587-Y594 WeakPolarHBondContact O-CA 3.34Å; Q588-Y594 HydrophobicContact CB-CD1 3.99Å; Q588-Y594 HydrophobicContact CB-CE1 4.04Å; Q588-Y594 HydrophobicContact CG-CD1 3.86Å; Q588-Y594 HydrophobicContact CG-CE1 3.57Å; Q588-Y594 HydrophobicContact CG-CE2 4.33Å; Q588-Y594 HydrophobicContact CG-CG 4.37Å; Q588-Y594 PolarHBondContact NE2-OH 3.44Å; K591-Y594 WeakPolarHBondContact O-CE2 3.06Å |
| 595 | L | 86.4 | Confident | 68.5 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.5 | -179.8 | -60.2 | 175.3 | 0 | 0 | 0 | 110.1 | L430 V431 E432 F446 I448 L464 I586 L587 L589 L593 | L430-L595 HydrophobicContact CD2-CB 4.3Å; V431-L595 CarbonylContact O-C 3.6Å; V431-L595 WeakPolarHBondContact O-CA 3.36Å; E432-L595 HydrophobicContact CB-CD2 4.18Å; F446-L595 HydrophobicContact CE2-CD2 4.15Å; F446-L595 HydrophobicContact CZ-CD2 4.04Å; I448-L595 HydrophobicContact CD1-CD1 4.41Å; L464-L595 HydrophobicContact CD1-CD1 4.48Å; I586-L595 CarbonylContact C-O 3.58Å; I586-L595 WeakPolarHBondContact CA-O 3.39Å; L587-L595 HydrophobicContact CB-CB 4.35Å; L587-L595 HydrophobicContact CD1-CB 4.38Å; L587-L595 PolarHBondContact N-O 2.88Å; L587-L595 PolarHBondContact O-N 3.45Å; L589-L595 HydrophobicContact CD1-CD1 3.97Å; L593-L595 HydrophobicContact CD1-CD2 3.93Å; L593-L595 HydrophobicContact CD1-CG 4.32Å; L593-L595 HydrophobicContact CD2-CD1 4.39Å; L593-L595 HydrophobicContact CD2-CG 4.39Å; L593-L595 HydrophobicContact CG-CD2 4.3Å; L593-L595 HydrophobicContact CG-CG 4.16Å |
| 596 | K | 84.6 | Confident | 65.7 | Low | 38 Ų | 38 | 64.3 Ų | 64.3 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.4 | 175.4 | -173.2 | 176.5 | 178.2 | -175.5 | 0 | 110.4 | L430 V431 V433 N584 I586 I598 | L430-K596 WeakPolarHBondContact CA-O 3.2Å; V431-K596 PolarHBondContact N-O 3.34Å; V431-K596 PolarHBondContact O-N 2.86Å; V433-K596 HydrophobicContact CG1-CB 3.72Å; V433-K596 HydrophobicContact CG1-CD 4.25Å; V433-K596 HydrophobicContact CG2-CB 4.3Å; N584-K596 WeakPolarHBondContact OD1-CE 3.09Å; N584-K596 PolarHBondContact OD1-NZ 2.83Å; I586-K596 HydrophobicContact CG1-CG 4.37Å; K596-I598 HydrophobicContact CD-CD1 4.45Å; K596-I598 HydrophobicContact CD-CG1 4.47Å; K596-I598 HydrophobicContact CG-CG1 4.18Å |
| 597 | Y | 86 | Confident | 62.9 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.3 | 173.6 | 177.5 | -120.4 | 0 | 0 | 0 | 110.1 | P428 L430 L450 F454 Y548 L550 I581 S582 N584 A585 | P428-Y597 HydrophobicContact CB-CE2 3.86Å; L430-Y597 HydrophobicContact CD2-CD2 4.36Å; L450-Y597 HydrophobicContact CD1-CD2 3.97Å; L450-Y597 HydrophobicContact CD1-CE2 3.72Å; F454-Y597 WeakPolarHBondContact CZ-OH 3.33Å; Y548-Y597 PolarHBondContact O-OH 3.49Å; L550-Y597 HydrophobicContact CB-CD2 4.37Å; L550-Y597 HydrophobicContact CB-CE1 4.35Å; L550-Y597 HydrophobicContact CB-CE2 4.01Å; L550-Y597 HydrophobicContact CD2-CD2 3.75Å; L550-Y597 HydrophobicContact CD2-CE2 3.98Å; L550-Y597 HydrophobicContact CD2-CG 4.34Å; I581-Y597 HydrophobicContact CG2-CD1 3.93Å; I581-Y597 HydrophobicContact CG2-CG 4.06Å; S582-Y597 WeakPolarHBondContact O-CD1 3.47Å; N584-Y597 WeakPolarHBondContact CA-O 3.4Å; N584-Y597 PolarHBondContact N-O 3.19Å; A585-Y597 PolarHBondContact O-N 3.18Å |
| 598 | I | 77.7 | Confident | 59.9 | Low | 28 Ų | 28 | 75.5 Ų | 75.5 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.6 | -178.3 | -56.1 | -178.8 | 0 | 0 | 0 | 109 | P428 Y429 V431 K596 | P428-I598 CarbonylContact C-O 3.58Å; P428-I598 VanDerWaalsContact CA-O 3.24Å; P428-I598 WeakPolarHBondContact CA-O 3.42Å; P428-I598 WeakPolarHBondContact CB-O 3.31Å; Y429-I598 HydrophobicContact CD2-CB 4.34Å; Y429-I598 HydrophobicContact CE1-CB 4.41Å; Y429-I598 HydrophobicContact CE1-CG2 4.18Å; Y429-I598 HydrophobicContact CE2-CB 3.94Å; Y429-I598 HydrophobicContact CE2-CD1 4.02Å; Y429-I598 HydrophobicContact CE2-CG1 4.45Å; Y429-I598 HydrophobicContact CE2-CG2 4.21Å; Y429-I598 PolarHBondContact N-O 3.2Å; Y429-I598 PolarHBondContact O-N 2.99Å; V431-I598 HydrophobicContact CG2-CD1 3.96Å; K596-I598 HydrophobicContact CD-CD1 4.45Å; K596-I598 HydrophobicContact CD-CG1 4.47Å; K596-I598 HydrophobicContact CG-CG1 4.18Å |
| 599 | Q | 70.7 | Confident | 57.1 | Low | 26 Ų | 26 | 81.8 Ų | 81.8 | 12% | 0.121 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 127.5 | 166.5 | -177.8 | -166.5 | -23.7 | 0 | 0 | 108.8 | P428 Y548 N583 | P428-Q599 HydrophobicContact CB-CB 4.14Å; P428-Q599 HydrophobicContact CB-CG 4.33Å; Y548-Q599 HydrophobicContact CD2-CG 4.31Å; Y548-Q599 PolarHBondContact O-OE1 3.28Å; N583-Q599 HydrophobicContact CB-CB 4.38Å; N583-Q599 PolarHBondContact ND2-O 2.81Å; N583-Q599 PolarHBondContact OD1-N 2.82Å |
| 600 | P | 58.9 | Low | 54.3 | Low | 32 Ų | 32 | 89 Ų | 89 | 21% | 0.208 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 150.5 | 177.6 | 27.6 | -33.5 | 0 | 0 | 0 | 112.1 | D426 M427 | D426-P600 HydrophobicContact CB-CG 4.33Å; D426-P600 WeakPolarHBondContact O-CG 3.42Å; D426-P600 WeakPolarHBondContact OD1-CB 3.48Å; M427-P600 WeakPolarHBondContact O-CD 3.34Å |
| 601 | I | 48.2 | Very low | 51.8 | Low | 134 Ų | 134 | 94.9 Ų | 94.9 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 117.7 | -170.4 | -60.1 | 173.9 | 0 | 0 | 0 | 109.5 | T603 | I601-T603 PolarHBondContact O-N 3.05Å; I601-T603 VanDerWaalsContact O-N 3.08Å |
| 602 | Q | 35.3 | Very low | 49.6 | Very low | 147 Ų | 147 | 93.9 Ų | 93.9 | 69% | 0.687 | 50% | 0.502 | S | S | * | . | trans | -65.6 | 107.4 | 174 | -71.4 | -171.5 | -14.6 | 0 | 0 | 111.2 | K604 | Q602-K604 PolarHBondContact O-N 2.81Š| ||
| 603 | T | 26 | Very low | 47.3 | Very low | 131 Ų | 131 | 97.3 Ų | 97.3 | 80% | 0.804 | 52% | 0.518 | S | S | * | . | trans | -86 | 98.4 | 176 | 44.1 | 0 | 0 | 0 | 0 | 111.3 | I601 | I601-T603 PolarHBondContact O-N 3.05Å; I601-T603 VanDerWaalsContact O-N 3.08Å | ||
| 604 | K | 27.2 | Very low | 44.8 | Very low | 196 Ų | 196 | 104.4 Ų | 104.4 | 85% | 0.852 | 56% | 0.556 | S | S | * | * | trans | -138.3 | 75.2 | 171.9 | -76.9 | -168.9 | 176 | 178.8 | 0 | 113.1 | Q602 | Q602-K604 PolarHBondContact O-N 2.81Š| ||
| 605 | S | 24.3 | Very low | 41.8 | Very low | 113 Ų | 113 | 111.2 Ų | 111.2 | 79% | 0.79 | 59% | 0.587 | S | S | * | * | trans | 169.9 | 89 | 143.9 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 606 | L | 25 | Very low | 39.1 | Very low | 166 Ų | 166 | 120.1 Ų | 120.1 | 87% | 0.869 | 63% | 0.631 | S | S | * | * | trans | -152.7 | 100.9 | 151.7 | -146.2 | 92.3 | 0 | 0 | 0 | 109.9 | ||||
| 607 | N | 22 | Very low | 36.2 | Very low | 173 Ų | 173 | 125.1 Ų | 125.1 | 93% | 0.925 | 66% | 0.655 | S | S | * | * | trans | -153.5 | 53.4 | 169 | -126.4 | -1.8 | 0 | 0 | 0 | 109.9 | ||||
| 608 | S | 23.8 | Very low | 33.4 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -151.5 | 56.8 | 179.7 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 609 | L | 26.3 | Very low | 30.9 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -171.8 | 112.8 | 151.1 | -102.6 | 155.6 | 0 | 0 | 0 | 108.6 | ||||
| 610 | I | 23.4 | Very low | 28.6 | Very low | 153 Ų | 153 | 144 Ų | 144 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -99.8 | 149.4 | 164.8 | -70.1 | 173.6 | 0 | 0 | 0 | 106.1 | ||||
| 611 | N | 23.5 | Very low | 26.9 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | 74.7 | 140.9 | -167.2 | -54.1 | -14.1 | 0 | 0 | 0 | 112.4 | ||||
| 612 | D | 28.6 | Very low | 25.8 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | cis | -137.4 | 143.1 | 14.8 | -96.5 | -55 | 0 | 0 | 0 | 115.1 | ||||
| 613 | N | 26.9 | Very low | 25.3 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 56.2 | 139.1 | 140.1 | -60.3 | -43.5 | 0 | 0 | 0 | 125.6 | ||||
| 614 | N | 30.3 | Very low | 25.2 | Very low | 149 Ų | 149 | 150 Ų | 150 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 80.9 | 83.1 | 144.2 | -65.3 | -18.2 | 0 | 0 | 0 | 122.7 | ||||
| 615 | K | 23.9 | Very low | 25.1 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -10.6 | 139.4 | 137.4 | -60.8 | 168.1 | 178 | 169.2 | 0 | 118 | ||||
| 616 | M | 27.7 | Very low | 25.2 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | -139.6 | 155.9 | 127.7 | -107.3 | -62.6 | -179.8 | 0 | 0 | 110.5 | |||||
| 617 | Q | 23.9 | Very low | 25.1 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | trans | -87.3 | 166.6 | -167.4 | -61 | 173 | -11.1 | 0 | 0 | 111.7 | ||||
| 618 | I | 27.4 | Very low | 25 | Very low | 156 Ų | 156 | 152.3 Ų | 152.3 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | -162.8 | 114 | 77 | -81.5 | 159.7 | 0 | 0 | 0 | 106.5 | |||||
| 619 | K | 25.4 | Very low | 25.1 | Very low | 174 Ų | 174 | 153.8 Ų | 153.8 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | 71.1 | 125.2 | 90.8 | -88.7 | -170.6 | 178.1 | -175 | 0 | 116.4 | |||||
| 620 | T | 22.5 | Very low | 25.1 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -62.2 | 166.5 | 159.5 | 46.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 621 | E | 24.1 | Very low | 25.1 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | -163.2 | 166.5 | 50 | -76.9 | -170 | 172.8 | 0 | 0 | 115.6 | |||||
| 622 | N | 25.4 | Very low | 25.1 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | trans | 50.2 | 116.5 | 139.5 | -70.6 | -39.8 | 0 | 0 | 0 | 121.8 | ||||
| 623 | V | 24.9 | Very low | 24.9 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -131 | 140.7 | 133.2 | 178 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 624 | N | 23.5 | Very low | 24.9 | Very low | 148 Ų | 148 | 154.9 Ų | 154.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -135.7 | 138.2 | 177 | -139.1 | -26.1 | 0 | 0 | 0 | 108.5 | ||||
| 625 | K | 24.1 | Very low | 24.6 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | 70.1 | 133.3 | -160.6 | -48.7 | 172.2 | -178.3 | 177.3 | 0 | 111.3 | ||||
| 626 | I | 27.6 | Very low | 24.6 | Very low | 175 Ų | 175 | 149 Ų | 149 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | -124.4 | 168.9 | 51.6 | -82.6 | 168.3 | 0 | 0 | 0 | 113.5 | |||||
| 627 | Q | 21.5 | Very low | 24.4 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -95.2 | 162.5 | -172.9 | -141.6 | 143.1 | -36.3 | 0 | 0 | 112.9 | ||||
| 628 | Q | 21.3 | Very low | 24.4 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | 69.4 | 100.4 | 164.1 | -57.2 | 176 | -6 | 0 | 0 | 119.1 | ||||
| 629 | T | 24.7 | Very low | 24.2 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | -167.8 | 149.4 | 119.8 | 10.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 630 | I | 26.9 | Very low | 24.3 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 43.7 | 103.9 | 152.1 | -58.3 | 158.9 | 0 | 0 | 0 | 116.9 | ||||
| 631 | T | 22.9 | Very low | 24.4 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 74.4 | 131.9 | 54.6 | 75.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 632 | K | 24.3 | Very low | 24.4 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | 72.7 | 145.2 | 177.5 | -53.7 | -177.5 | -179.8 | -178.9 | 0 | 115.6 | ||||
| 633 | L | 24.1 | Very low | 24.4 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | cis | -152.1 | 147.7 | -13.4 | -142.8 | 79.3 | 0 | 0 | 0 | 107.4 | ||||
| 634 | P | 27.7 | Very low | 24.5 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | trans | -91.9 | 156.4 | -177.1 | 35.3 | -34.4 | 0 | 0 | 0 | 114.6 | ||||
| 635 | S | 23.5 | Very low | 24.5 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -106.5 | 170.5 | 164.8 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 636 | S | 23.6 | Very low | 24.5 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -94.7 | 166.3 | -158.1 | 60.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 637 | S | 23.5 | Very low | 24.5 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | 65.8 | 97.5 | 151.6 | 50 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 638 | T | 24.3 | Very low | 24.8 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | 55.8 | 109.8 | 130.3 | 58.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 639 | S | 23.5 | Very low | 25 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | -153.6 | 155.9 | 124.9 | 81.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 640 | L | 27.6 | Very low | 25.1 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 51% | 0.508 | 75% | 0.745 | S | S | . | * | trans | 54 | 93.3 | 151.6 | -67.2 | 165.7 | 0 | 0 | 0 | 120 | N642 | L640-N642 PolarHBondContact O-N 2.96Š| ||
| 641 | S | 23.5 | Very low | 25.3 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -56.2 | 121.6 | 147.7 | -41.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 642 | N | 24.9 | Very low | 25.4 | Very low | 55 Ų | 55 | 143.7 Ų | 143.7 | 29% | 0.294 | 76% | 0.763 | S | S | . | * | trans | -165.7 | 52.8 | 156.3 | -90.1 | -39.5 | 0 | 0 | 0 | 112.8 | Q420 S421 L640 | Q420-N642 WeakPolarHBondContact CG-OD1 3.11Å; Q420-N642 PolarHBondContact NE2-OD1 3.03Å; S421-N642 VanDerWaalsContact CB-ND2 3.28Å; S421-N642 WeakPolarHBondContact CB-ND2 3.11Å; L640-N642 PolarHBondContact O-N 2.96Å | ||
| 643 | R | 24.9 | Very low | 25.5 | Very low | 245 Ų | 245 | 142 Ų | 142 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | -138.2 | 44.7 | 168.4 | -78.8 | -162.1 | 175.7 | -173.6 | 0.6 | 113.8 | ||||
| 644 | L | 26.8 | Very low | 25.7 | Very low | 170 Ų | 170 | 142 Ų | 142 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -134.7 | 83.1 | 165.2 | -82.1 | 178.5 | 0 | 0 | 0 | 111 | ||||
| 645 | A | 23.6 | Very low | 25.8 | Very low | 62 Ų | 62 | 144.4 Ų | 144.4 | 51% | 0.512 | 76% | 0.757 | S | S | . | * | trans | 178.9 | 104.2 | 140.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | R419 | R419-A645 PolarHBondContact NH1-O 2.66Å; R419-A645 VanDerWaalsContact NH2-CB 3.3Å; R419-A645 VanDerWaalsContact NH2-N 3.15Å; R419-A645 PolarHBondContact NH2-O 3.16Å | ||
| 646 | E | 23.4 | Very low | 25.9 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -163.3 | 141.6 | 156.9 | -117.3 | 166.1 | -133.3 | 0 | 0 | 104.3 | ||
| 647 | R | 27.1 | Very low | 26 | Very low | 245 Ų | 245 | 146.3 Ų | 146.3 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 64.2 | 68.5 | -166.8 | -50.3 | 178.4 | 177.8 | -173 | -2.9 | 115.3 | ||
| 648 | Q | 28.3 | Very low | 26.2 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 94% | 0.935 | 74% | 0.744 | S | S | * | * | -159 | 80.4 | 124.5 | -112.4 | 172.2 | -5 | 0 | 0 | 111.1 | |||||
| 649 | I | 25 | Very low | 26.4 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -120.5 | 119.1 | 149.5 | -66.6 | 175.6 | 0 | 0 | 0 | 103.9 | ||||
| 650 | D | 28.3 | Very low | 26.7 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | 175.3 | 87.6 | 148.2 | -92.2 | -19.2 | 0 | 0 | 0 | 109.4 | ||||
| 651 | L | 29.8 | Very low | 26.6 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | 172 | 143.5 | 134.7 | -90 | 160 | 0 | 0 | 0 | 110 | ||||
| 652 | M | 26.7 | Very low | 26.9 | Very low | 181 Ų | 181 | 153.6 Ų | 153.6 | 89% | 0.892 | 76% | 0.756 | S | S | * | * | trans | -98.6 | 152.2 | -172.6 | -58.1 | 178 | -159.4 | 0 | 0 | 109.9 | ||||
| 653 | N | 25 | Very low | 27 | Very low | 156 Ų | 156 | 159.7 Ų | 159.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | cis | 93.3 | 84.8 | 26.7 | -166.8 | 49.8 | 0 | 0 | 0 | 115.8 | ||||
| 654 | E | 28 | Very low | 27 | Very low | 154 Ų | 154 | 155 Ų | 155 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -151.4 | 154.5 | 158.5 | -73.3 | -156.6 | 128.9 | 0 | 0 | 108.5 | ||||
| 655 | K | 30.3 | Very low | 26.9 | Very low | 175 Ų | 175 | 155.7 Ų | 155.7 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | cis | -160.5 | 160.1 | -21.2 | -108.8 | 170.7 | -174.9 | 161 | 0 | 107.7 | ||||
| 656 | N | 25 | Very low | 27.3 | Very low | 102 Ų | 102 | 161.3 Ų | 161.3 | 55% | 0.545 | 78% | 0.782 | S | S | . | * | trans | -96.8 | 161.1 | -179.9 | -59.7 | -32.5 | 0 | 0 | 0 | 112.6 | N1918 | N656-N1918 PolarHBondContact OD1-ND2 2.95Å; N656-N1918 VanDerWaalsContact OD1-ND2 3.08Å | ||
| 657 | Q | 27.4 | Very low | 27.6 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | 162.7 | 129.1 | 115.6 | -84.8 | -167.3 | -83.4 | 0 | 0 | 117.1 | |||||
| 658 | N | 27 | Very low | 27.6 | Very low | 113 Ų | 113 | 153.5 Ų | 153.5 | 60% | 0.604 | 76% | 0.755 | S | S | * | * | 78.2 | 125.7 | 127.9 | -74.5 | 57.7 | 0 | 0 | 0 | 127 | |||||
| 659 | D | 28.5 | Very low | 27.6 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | 100.6 | 142.8 | 123.3 | -63.7 | -16 | 0 | 0 | 0 | 126.4 | |||||
| 660 | D | 29.2 | Very low | 27.9 | Very low | 137 Ų | 137 | 154.1 Ų | 154.1 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | 94.5 | 164.2 | 145.5 | -106.3 | -29.6 | 0 | 0 | 0 | 125.6 | ||||
| 661 | V | 26.5 | Very low | 27.8 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | -115.2 | 139 | -145 | 171.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 662 | M | 30.1 | Very low | 27.7 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | trans | -172.6 | 177.7 | 140.3 | -110.8 | -59.3 | -178.5 | 0 | 0 | 115.2 | ||||
| 663 | K | 26 | Very low | 27.8 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -105.3 | 161.8 | -172.8 | -64.8 | 177.9 | 175.8 | 172.6 | 0 | 115.2 | ||||
| 664 | L | 24.7 | Very low | 28 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | 88.8 | 120.9 | 148.7 | -75 | 153.7 | 0 | 0 | 0 | 122.3 | ||||
| 665 | K | 25.6 | Very low | 28 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | trans | 95 | 133.4 | 136.6 | -80.3 | 177.3 | 175.2 | 178.2 | 0 | 122.9 | ||||
| 666 | K | 30.8 | Very low | 27.8 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | 79.5 | 84.8 | 152.4 | -74.9 | -167.6 | 168.9 | -168.2 | 0 | 121.1 | ||||
| 667 | D | 29.9 | Very low | 27.8 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | 37 | 122.2 | 110.3 | -46.1 | -50.3 | 0 | 0 | 0 | 121 | |||||
| 668 | R | 27.2 | Very low | 28 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 43% | 0.426 | 73% | 0.734 | S | S | . | * | trans | -80.3 | 159.8 | 144.2 | -73.1 | 172.9 | 164.6 | -145.7 | -3.3 | 109.2 | G1757 K1758 E1907 N1908 | R668-G1757 PolarHBondContact NH1-O 2.82Å; R668-K1758 WeakPolarHBondContact CD-O 3.42Å; R668-K1758 PolarHBondContact NE-O 3.45Å; R668-K1758 PolarHBondContact NH1-O 2.88Å; R668-E1907 PolarHBondContact NH1-O 2.88Å; R668-E1907 PolarHBondContact NH2-O 3.38Å; R668-N1908 PolarHBondContact NH2-O 3.04Å; R668-N1908 VanDerWaalsContact NH2-O 3.16Å | ||
| 669 | Q | 28.4 | Very low | 27.9 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | cis | -155.4 | 156.9 | 11.8 | -139.2 | 158.6 | -3.4 | 0 | 0 | 110.2 | ||||
| 670 | F | 31.5 | Very low | 27.7 | Very low | 212 Ų | 212 | 135.3 Ų | 135.3 | 93% | 0.93 | 74% | 0.736 | S | S | * | * | trans | -107.7 | 168.1 | 169.2 | -115.3 | -88.8 | 0 | 0 | 0 | 111.2 | ||||
| 671 | S | 25.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -120.3 | 157.4 | -164.3 | 55.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 672 | G | 29.3 | Very low | 27.4 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | trans | 119 | 140.6 | 165 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 673 | G | 29 | Very low | 27.2 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | cis | 163.9 | 160.3 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 674 | T | 27.5 | Very low | 27.1 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | trans | 67 | 157.2 | 163.8 | 64.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 675 | L | 29.3 | Very low | 27 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | cis | -151.1 | 134.9 | 5.4 | -155.5 | 81 | 0 | 0 | 0 | 114.9 | ||||
| 676 | S | 24.9 | Very low | 26.9 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | trans | 22.2 | 143.6 | 149.7 | 75.2 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 677 | K | 25.6 | Very low | 26.5 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 57% | 0.574 | 73% | 0.727 | S | S | * | * | trans | 61.3 | 128.3 | 132.6 | -80.2 | -172 | 168.5 | -167.4 | 0 | 122.3 | D1747 | K677-D1747 IonicContact NZ-OD2 2.96Å; K677-D1747 PolarHBondContact NZ-OD2 3.33Å | ||
| 678 | A | 30.9 | Very low | 26.4 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | -165 | 155.8 | 123.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 679 | Q | 26.5 | Very low | 26.2 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 57% | 0.565 | 75% | 0.751 | S | S | * | * | trans | -102.8 | 170.4 | -177.8 | -90.3 | -179.7 | -1.7 | 0 | 0 | 114.4 | ||||
| 680 | T | 24.2 | Very low | 26.2 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 91.2 | 141.6 | 142.2 | 16.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 681 | L | 24.6 | Very low | 25.9 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | trans | 83.2 | 101.3 | 149.8 | -66 | 159.6 | 0 | 0 | 0 | 121.5 | ||||
| 682 | K | 24.1 | Very low | 25.9 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | 81 | 144.3 | 124 | -76.1 | -179.9 | -177.8 | 174.4 | 0 | 122.5 | |||||
| 683 | N | 25.5 | Very low | 25.9 | Very low | 140 Ų | 140 | 128 Ų | 128 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | 81.4 | 145.6 | 151.8 | -63.2 | -6 | 0 | 0 | 0 | 120.3 | ||||
| 684 | S | 25.4 | Very low | 25.9 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | 68.3 | 125.1 | 173.4 | -13.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 685 | S | 21.8 | Very low | 25.9 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | cis | 71.7 | 135.4 | 17.6 | -38.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 686 | S | 23.7 | Very low | 25.8 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | 57.9 | 112 | 169.6 | 50.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 687 | N | 22.7 | Very low | 26.1 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | 32.1 | 119.1 | 127.7 | -55.3 | -10.1 | 0 | 0 | 0 | 119 | |||||
| 688 | L | 26 | Very low | 26.3 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -118.8 | 107.3 | 145.1 | -89.9 | 171 | 0 | 0 | 0 | 110.4 | L690 | L688-L690 HydrophobicContact CD2-CD1 4.02Š| ||
| 689 | N | 24.1 | Very low | 26.2 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | -134.1 | 95.2 | 154.8 | -117.1 | -9.3 | 0 | 0 | 0 | 105.7 | ||||
| 690 | L | 28.2 | Very low | 26 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -114.6 | 122.6 | 158.8 | -88.2 | 80 | 0 | 0 | 0 | 105.3 | L688 | L688-L690 HydrophobicContact CD2-CD1 4.02Š| ||
| 691 | S | 25 | Very low | 26 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | 72 | 144.7 | 58.4 | 95.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 692 | T | 26 | Very low | 26.3 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | cis | -167.2 | 147 | -4.8 | 5.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 693 | K | 28.9 | Very low | 26.4 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | -177.4 | 140 | 149.7 | -105.2 | 169.5 | -179.1 | -176.6 | 0 | 109.7 | ||||
| 694 | N | 28.1 | Very low | 26.5 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 58% | 0.583 | 75% | 0.751 | S | S | * | * | cis | -164.7 | 147.7 | -22.9 | -122.3 | 25.9 | 0 | 0 | 0 | 108.8 | ||||
| 695 | Q | 27.8 | Very low | 26.5 | Very low | 143 Ų | 143 | 135 Ų | 135 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | trans | 65.7 | 148.5 | 153 | -65.9 | 163.9 | -84.9 | 0 | 0 | 116.9 | ||||
| 696 | E | 27.1 | Very low | 26.8 | Very low | 134 Ų | 134 | 142 Ų | 142 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | cis | -161.8 | 170.3 | 2.1 | -128 | 161.8 | -146.5 | 0 | 0 | 112.6 | ||||
| 697 | I | 32.1 | Very low | 27 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | 62.2 | 124.7 | 151.1 | -71.6 | 161.1 | 0 | 0 | 0 | 117.2 | ||||
| 698 | N | 30.1 | Very low | 27 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | cis | -151.9 | 159.5 | -3.6 | -91.6 | -18.3 | 0 | 0 | 0 | 106.7 | ||||
| 699 | G | 28.2 | Very low | 27 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | cis | -178.7 | 162.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 700 | S | 23.2 | Very low | 27.2 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -153.5 | 156.7 | -168.2 | 61.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 701 | N | 23.9 | Very low | 27.2 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 72.3 | 142.3 | 166.3 | -57.7 | -23 | 0 | 0 | 0 | 118.6 | ||||
| 702 | I | 30.8 | Very low | 27 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 86% | 0.862 | 77% | 0.771 | S | S | * | * | -163.2 | 151.4 | 115.7 | -96.9 | 158.1 | 0 | 0 | 0 | 109.3 | |||||
| 703 | D | 25.3 | Very low | 27.6 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -75 | 158.9 | -172.4 | -55 | -102.4 | 0 | 0 | 0 | 115.8 | ||||
| 704 | A | 27.4 | Very low | 27.3 | Very low | 88 Ų | 88 | 145.1 Ų | 145.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 155.3 | 130.1 | 106.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 705 | K | 26.8 | Very low | 27.3 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | 44.6 | 107.5 | 142.6 | -60 | 171.5 | -179.2 | 168.8 | 0 | 120.2 | ||||
| 706 | R | 28.1 | Very low | 27.1 | Very low | 255 Ų | 255 | 146.7 Ų | 146.7 | 96% | 0.962 | 79% | 0.792 | S | S | * | * | -174 | 169.1 | 109.6 | -100.8 | 166.8 | -179.9 | -175.9 | 0.3 | 114.2 | |||||
| 707 | K | 26.4 | Very low | 27.1 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -73.2 | 161.5 | -175.2 | -65.7 | 177.4 | -179.9 | -178.9 | 0 | 112.2 | ||||
| 708 | S | 23.5 | Very low | 26.7 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | cis | -173.3 | -166.6 | -7.6 | 49.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 709 | S | 26.1 | Very low | 26.4 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 59% | 0.587 | 80% | 0.802 | S | S | * | * | cis | -158.5 | -19.7 | 11.1 | 54.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 710 | H | 27.7 | Very low | 26.4 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | trans | -135.4 | 151.7 | -166.4 | -60.6 | -45.1 | 0 | 0 | 0 | 111.9 | ||||
| 711 | K | 28 | Very low | 26.4 | Very low | 197 Ų | 197 | 146.8 Ų | 146.8 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | cis | -152.7 | 155 | 12.6 | -136.9 | 170.7 | -172.7 | 177.9 | 0 | 110.5 | ||||
| 712 | L | 22.3 | Very low | 26.8 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -135.5 | 166.7 | 169.1 | -87.1 | 158.7 | 0 | 0 | 0 | 107.5 | ||||
| 713 | P | 37.8 | Very low | 27 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | -127.2 | 178.4 | -52.8 | 37.9 | -23.5 | 0 | 0 | 0 | 111.2 | |||||
| 714 | N | 23.5 | Very low | 27.6 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 172.3 | 117.3 | 136.2 | -93.4 | -21.7 | 0 | 0 | 0 | 112.7 | ||||
| 715 | A | 27.4 | Very low | 28.1 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -152.9 | 128 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 716 | M | 23.8 | Very low | 29.2 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -81.3 | 123.5 | -177.2 | -73.4 | 178.3 | 165.1 | 0 | 0 | 111.2 | ||||
| 717 | V | 26.4 | Very low | 30.7 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -88.9 | 100.5 | 158.5 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | S719 | V717-S719 PolarHBondContact O-N 3.27Å; V717-S719 VanDerWaalsContact O-N 3.11Å | ||
| 718 | T | 25.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 74% | 0.742 | 69% | 0.686 | S | S | * | * | trans | -74.7 | 97.8 | 175.7 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | S720 | T718-S720 PolarHBondContact O-N 3.1Š| ||
| 719 | S | 23.7 | Very low | 35.3 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | trans | -66.1 | 110.6 | 171.9 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | V717 S721 | V717-S719 PolarHBondContact O-N 3.27Å; V717-S719 VanDerWaalsContact O-N 3.11Å; S719-S721 PolarHBondContact O-N 2.97Å | ||
| 720 | S | 26.8 | Very low | 38 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 83% | 0.832 | 62% | 0.622 | S | S | * | * | trans | -70.9 | 96.2 | 177.9 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | T718 L722 | T718-S720 PolarHBondContact O-N 3.1Å; S720-L722 PolarHBondContact O-N 3.3Å | ||
| 721 | S | 24.6 | Very low | 40.8 | Very low | 113 Ų | 113 | 102.9 Ų | 102.9 | 79% | 0.79 | 59% | 0.591 | S | S | * | * | trans | -74.4 | 84 | 176.3 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | S719 S723 | S719-S721 PolarHBondContact O-N 2.97Å; S721-S723 PolarHBondContact O-N 2.96Å | ||
| 722 | L | 31.9 | Very low | 43.7 | Very low | 148 Ų | 148 | 93.6 Ų | 93.6 | 78% | 0.775 | 55% | 0.55 | S | S | * | * | trans | -57.4 | 133.3 | 170 | -160.8 | 76.4 | 0 | 0 | 0 | 109.4 | S720 | S720-L722 PolarHBondContact O-N 3.3Š| ||
| 723 | S | 33.8 | Very low | 46.7 | Very low | 57 Ų | 57 | 88.5 Ų | 88.5 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | trans | -82.5 | 159.6 | -164.5 | 98 | 0 | 0 | 0 | 0 | 112.3 | S721 S725 D726 | S721-S723 PolarHBondContact O-N 2.96Å; S723-S725 VanDerWaalsContact C-N 3.3Å; S723-S725 PolarHBondContact O-N 2.82Å; S723-S725 PolarHBondContact OG-N 3.01Å; S723-S725 PolarHBondContact OG-OG 3.27Å; S723-D726 WeakPolarHBondContact CB-OD2 3.38Å; S723-D726 VanDerWaalsContact OG-CG 3.27Å; S723-D726 PolarHBondContact OG-OD1 2.78Å; S723-D726 PolarHBondContact OG-OD2 3.07Å | ||
| 724 | K | 39.3 | Very low | 48.9 | Very low | 182 Ų | 182 | 84.5 Ų | 84.5 | 79% | 0.791 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.1 | 179.7 | -75 | -169.2 | 176.8 | -175.5 | 0 | 114.3 | ||
| 725 | S | 36.7 | Very low | 51.1 | Low | 65 Ų | 65 | 79.7 Ų | 79.7 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -21.4 | 176.4 | 39.9 | 0 | 0 | 0 | 0 | 113.6 | S723 Q727 L1212 | S723-S725 VanDerWaalsContact C-N 3.3Å; S723-S725 PolarHBondContact O-N 2.82Å; S723-S725 PolarHBondContact OG-N 3.01Å; S723-S725 PolarHBondContact OG-OG 3.27Å; S725-Q727 VanDerWaalsContact C-N 3.25Å; S725-Q727 PolarHBondContact O-N 3.03Å; S725-Q727 VanDerWaalsContact O-N 3.09Å; S725-L1212 VanDerWaalsContact O-CD1 3.29Å; S725-L1212 WeakPolarHBondContact O-CD1 3.41Å |
| 726 | D | 50.1 | Low | 52.7 | Low | 74 Ų | 74 | 82.4 Ų | 82.4 | 40% | 0.396 | 46% | 0.463 | S | S | . | . | trans | -94.2 | 28.4 | -153.2 | -42.7 | -35.3 | 0 | 0 | 0 | 112.5 | S723 | S723-D726 WeakPolarHBondContact CB-OD2 3.38Å; S723-D726 VanDerWaalsContact OG-CG 3.27Å; S723-D726 PolarHBondContact OG-OD1 2.78Å; S723-D726 PolarHBondContact OG-OD2 3.07Å | ||
| 727 | Q | 60.4 | Low | 54.1 | Low | 82 Ų | 82 | 75.9 Ų | 75.9 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | trans | -109.5 | 119.1 | -173.7 | -70.3 | -177.5 | -16.7 | 0 | 0 | 112.2 | S725 H1194 | S725-Q727 VanDerWaalsContact C-N 3.25Å; S725-Q727 PolarHBondContact O-N 3.03Å; S725-Q727 VanDerWaalsContact O-N 3.09Å; Q727-H1194 PolarHBondContact OE1-ND1 3.36Å | ||
| 728 | L | 72.9 | Confident | 54.9 | Low | 19 Ų | 19 | 76.7 Ų | 76.7 | 10% | 0.099 | 43% | 0.432 | C | S | . | . | trans | -60 | 153.8 | 165.2 | -69.7 | 174 | 0 | 0 | 0 | 110.9 | L730 Y792 L793 R796 H1194 W1206 C1209 | L728-L730 WeakPolarHBondContact CB-O 3.23Å; L728-L730 PolarHBondContact O-N 3.4Å; L728-L730 VanDerWaalsContact O-N 3.1Å; L728-Y792 HydrophobicContact CD1-CD1 4.34Å; L728-Y792 HydrophobicContact CD1-CE1 3.92Å; L728-Y792 HydrophobicContact CD2-CE1 4.24Å; L728-L793 HydrophobicContact CD1-CD2 4.01Å; L728-R796 HydrophobicContact CD1-CB 4.25Å; L728-R796 HydrophobicContact CD1-CG 4.13Å; L728-H1194 PolarHBondContact O-CD2 3.4Å; L728-W1206 HydrophobicContact CD2-CE3 4.44Å; L728-C1209 HydrophobicContact CD2-CB 3.82Å | ||
| 729 | P | 73.2 | Confident | 55.8 | Low | 4 Ų | 4 | 79.6 Ų | 79.6 | 3% | 0.026 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -57.6 | -27.6 | 177.6 | -25.1 | 35.2 | 0 | 0 | 0 | 114 | I1172 H1194 I1201 | P729-I1172 HydrophobicContact CB-CG1 4.07Å; P729-H1194 PolarHBondContact O-N 3.05Å; P729-H1194 VanDerWaalsContact O-N 3.11Å; P729-I1201 HydrophobicContact CG-CG2 4.44Å |
| 730 | L | 83 | Confident | 56.7 | Low | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.9 | 171.8 | -156.9 | 73.2 | 0 | 0 | 0 | 108.8 | L728 L793 I1172 L1176 L1177 L1180 V1191 K1193 | L728-L730 WeakPolarHBondContact CB-O 3.23Å; L728-L730 PolarHBondContact O-N 3.4Å; L728-L730 VanDerWaalsContact O-N 3.1Å; L730-L793 HydrophobicContact CB-CD2 4.3Å; L730-L793 HydrophobicContact CD2-CD1 3.94Å; L730-L793 WeakPolarHBondContact O-CD2 3.41Å; L730-I1172 HydrophobicContact CB-CG1 4.37Å; L730-I1172 HydrophobicContact CD1-CD1 3.79Å; L730-I1172 HydrophobicContact CD1-CG1 4.21Å; L730-I1172 HydrophobicContact CD1-CG2 4.41Å; L730-L1176 HydrophobicContact CD2-CD2 4.31Å; L730-L1177 HydrophobicContact CD1-CD2 4.04Å; L730-L1177 HydrophobicContact CD2-CD2 4.32Å; L730-L1180 HydrophobicContact CD2-CD1 3.74Å; L730-V1191 HydrophobicContact CD1-CG1 3.6Å; L730-V1191 HydrophobicContact CD2-CG1 4Å; L730-V1191 HydrophobicContact CG-CG1 3.89Å; L730-K1193 HydrophobicContact CD1-CB 4.47Å; L730-K1193 HydrophobicContact CD1-CG 3.82Å |
| 731 | S | 85.4 | Confident | 58 | Low | 18 Ų | 18 | 78.5 Ų | 78.5 | 13% | 0.126 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.9 | 161.7 | 68.1 | 0 | 0 | 0 | 0 | 110.6 | K1192 H1194 | S731-K1192 PolarHBondContact N-O 2.92Å; S731-K1192 PolarHBondContact O-N 3.05Å; S731-H1194 WeakPolarHBondContact CA-NE2 3.14Å; S731-H1194 WeakPolarHBondContact CB-NE2 3.1Å; S731-H1194 PolarHBondContact N-NE2 2.95Å; S731-H1194 PolarHBondContact OG-NE2 3.32Å |
| 732 | I | 88.9 | Confident | 59.2 | Low | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 147.4 | 174.6 | 75.9 | -178.3 | 0 | 0 | 0 | 110 | L752 L793 T794 S797 L1180 I1189 K1190 V1191 | I732-L752 HydrophobicContact CD1-CD2 4.28Å; I732-L793 HydrophobicContact CD1-CB 4.02Å; I732-L793 HydrophobicContact CG1-CB 4.24Å; I732-L793 HydrophobicContact CG2-CB 4.22Å; I732-L793 HydrophobicContact CG2-CD1 4.28Å; I732-T794 WeakPolarHBondContact CD1-OG1 3.45Å; I732-S797 WeakPolarHBondContact O-CB 3.26Å; I732-S797 PolarHBondContact O-OG 3.02Å; I732-L1180 HydrophobicContact CG2-CD1 4.5Å; I732-I1189 HydrophobicContact CB-CB 4.48Å; I732-I1189 HydrophobicContact CD1-CG2 4.24Å; I732-I1189 HydrophobicContact CG2-CD1 4.42Å; I732-K1190 WeakPolarHBondContact CA-O 3.01Å; I732-V1191 HydrophobicContact CG2-CG2 3.99Å |
| 733 | E | 85.2 | Confident | 60.2 | Low | 55 Ų | 55 | 75.6 Ų | 75.6 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.3 | 179.5 | -63.2 | 178.1 | 154.3 | 0 | 0 | 107.9 | E735 K800 K1190 | E733-E735 PolarHBondContact O-N 3.45Å; E733-K800 IonicContact OE1-NZ 3.95Å; E733-K800 PolarHBondContact OE1-NZ 3.47Å; E733-K1190 PolarHBondContact N-O 3.17Å; E733-K1190 PolarHBondContact O-N 3.01Å |
| 734 | L | 85 | Confident | 61.9 | Low | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 133.1 | 173.2 | -69.2 | 168.3 | 0 | 0 | 0 | 109.8 | T737 Q748 Y749 L752 | L734-T737 HydrophobicContact CB-CG2 3.9Å; L734-Q748 HydrophobicContact CD1-CB 3.72Å; L734-Y749 HydrophobicContact CD1-CD1 3.9Å; L734-Y749 HydrophobicContact CD1-CD2 3.79Å; L734-Y749 HydrophobicContact CD1-CE1 3.65Å; L734-Y749 HydrophobicContact CD1-CE2 3.52Å; L734-Y749 HydrophobicContact CD1-CG 3.97Å; L734-Y749 VanDerWaalsContact CD1-CZ 3.44Å; L734-Y749 HydrophobicContact CD2-CE1 4.48Å; L734-Y749 HydrophobicContact CG-CD1 4.29Å; L734-Y749 HydrophobicContact CG-CE1 3.83Å; L734-Y749 HydrophobicContact CG-CE2 4.49Å; L734-L752 HydrophobicContact CD2-CB 4.42Å; L734-L752 HydrophobicContact CD2-CD2 3.79Å |
| 735 | E | 69.2 | Low | 63.6 | Low | 64 Ų | 64 | 67.5 Ų | 67.5 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -81 | 162.9 | 173.1 | -128 | 150.4 | -153.2 | 0 | 0 | 110.8 | E733 G1187 K1190 | E733-E735 PolarHBondContact O-N 3.45Å; E735-G1187 WeakPolarHBondContact CB-O 3.42Å; E735-K1190 HydrophobicContact CG-CB 4.48Å; E735-K1190 IonicContact OE1-NZ 2.64Å; E735-K1190 PolarHBondContact OE1-NZ 3.19Å |
| 736 | H | 60.4 | Low | 65.8 | Low | 160 Ų | 160 | 65.6 Ų | 65.6 | 74% | 0.741 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 65.6 | 26.6 | -179.7 | -56.5 | -81.2 | 0 | 0 | 0 | 119.1 | ||
| 737 | T | 53.4 | Low | 67.4 | Low | 45 Ų | 45 | 66.4 Ų | 66.4 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | trans | -102.4 | 34.2 | -176.5 | 74.1 | 0 | 0 | 0 | 0 | 116.4 | L734 Q748 K801 | L734-T737 HydrophobicContact CB-CG2 3.9Å; T737-Q748 VanDerWaalsContact CG2-OE1 3.29Å; T737-K801 VanDerWaalsContact CB-NZ 3.34Å; T737-K801 WeakPolarHBondContact OG1-CE 3.42Å; T737-K801 PolarHBondContact OG1-NZ 2.82Å | ||
| 738 | N | 44.7 | Very low | 68.5 | Low | 158 Ų | 158 | 65.2 Ų | 65.2 | 85% | 0.845 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -98.8 | -12.9 | -178.5 | -75.5 | 8.6 | 0 | 0 | 0 | 114.4 | ||
| 739 | E | 43.3 | Very low | 69.4 | Low | 183 Ų | 183 | 64.4 Ų | 64.4 | 86% | 0.855 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -139.7 | 16.8 | -166.1 | -61.2 | -173.2 | 157.1 | 0 | 0 | 115.2 | ||
| 740 | L | 42.6 | Very low | 70.2 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 61% | 0.607 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -122.1 | 155.3 | 178.2 | -94.1 | 85.9 | 0 | 0 | 0 | 114 | ||
| 741 | P | 53.1 | Low | 70.5 | Confident | 86 Ų | 86 | 68.7 Ų | 68.7 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | trans | -64.8 | 151.8 | -178.5 | -21 | 33.8 | 0 | 0 | 0 | 114.4 | D743 T744 | P741-D743 PolarHBondContact O-N 3.18Å; P741-D743 VanDerWaalsContact O-N 3.09Å; P741-T744 PolarHBondContact O-N 3.38Å; P741-T744 PolarHBondContact O-OG1 3.44Å | ||
| 742 | S | 50.3 | Low | 70.8 | Confident | 66 Ų | 66 | 68 Ų | 68 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -43.4 | -41.9 | 176 | 37.3 | 0 | 0 | 0 | 0 | 114.1 | T744 L745 | S742-T744 PolarHBondContact O-N 3.29Å; S742-T744 VanDerWaalsContact O-N 3.15Å; S742-L745 WeakPolarHBondContact O-CB 3.26Å; S742-L745 PolarHBondContact O-N 2.75Å |
| 743 | D | 52.7 | Low | 70.9 | Confident | 134 Ų | 134 | 67.9 Ų | 67.9 | 72% | 0.717 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -69.1 | -20.4 | -164.2 | -49.6 | -0.6 | 0 | 0 | 0 | 111.9 | P741 | P741-D743 PolarHBondContact O-N 3.18Å; P741-D743 VanDerWaalsContact O-N 3.09Å |
| 744 | T | 69.3 | Low | 71.2 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -88.8 | -5.4 | 178 | 63.5 | 0 | 0 | 0 | 0 | 114.3 | P741 S742 M746 D747 Q748 | P741-T744 PolarHBondContact O-N 3.38Å; P741-T744 PolarHBondContact O-OG1 3.44Å; S742-T744 PolarHBondContact O-N 3.29Å; S742-T744 VanDerWaalsContact O-N 3.15Å; T744-M746 VanDerWaalsContact C-N 3.32Å; T744-M746 PolarHBondContact O-N 3.48Å; T744-D747 PolarHBondContact O-N 2.74Å; T744-Q748 PolarHBondContact O-N 2.81Å |
| 745 | L | 75.7 | Confident | 71.4 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.4 | -35.5 | -174 | 179.6 | 148 | 0 | 0 | 0 | 112.7 | S742 Y749 K801 L802 | S742-L745 WeakPolarHBondContact O-CB 3.26Å; S742-L745 PolarHBondContact O-N 2.75Å; L745-Y749 HydrophobicContact CD2-CD2 3.9Å; L745-Y749 HydrophobicContact CD2-CE2 3.91Å; L745-Y749 HydrophobicContact CG-CD2 4.4Å; L745-Y749 HydrophobicContact CG-CE2 4.25Å; L745-Y749 WeakPolarHBondContact O-CD2 3.26Å; L745-Y749 PolarHBondContact O-N 3.09Å; L745-K801 HydrophobicContact CD1-CD 4.04Å; L745-K801 HydrophobicContact CD1-CG 4Å; L745-L802 HydrophobicContact CD2-CD2 4.17Å |
| 746 | M | 83.7 | Confident | 72.5 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.5 | -40.1 | 178.9 | -77.5 | -62.7 | -62.7 | 0 | 0 | 112.3 | T744 Q748 Y749 I750 C816 H819 L820 | T744-M746 VanDerWaalsContact C-N 3.32Å; T744-M746 PolarHBondContact O-N 3.48Å; M746-Q748 VanDerWaalsContact C-N 3.28Å; M746-Q748 PolarHBondContact O-N 3.3Å; M746-Y749 PolarHBondContact O-N 2.58Å; M746-Y749 VanDerWaalsContact O-N 3.12Å; M746-I750 WeakPolarHBondContact O-CG1 3.34Å; M746-I750 PolarHBondContact O-N 3.18Å; M746-C816 HydrophobicContact CE-CB 4.21Å; M746-C816 VanDerWaalsContact CE-O 3.3Å; M746-C816 WeakPolarHBondContact CE-O 3.38Å; M746-C816 HydrophobicContact CG-CB 4.3Å; M746-C816 HydrophobicContact SD-CB 3.64Å; M746-H819 HydrophobicContact CE-CB 4.25Å; M746-L820 HydrophobicContact CE-CB 4.14Å; M746-L820 HydrophobicContact CE-CD1 4.22Å |
| 747 | D | 82.6 | Confident | 73.9 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 178 | -62.2 | -32.3 | 0 | 0 | 0 | 111.9 | T744 Y749 I750 N751 | T744-D747 PolarHBondContact O-N 2.74Å; D747-Y749 PolarHBondContact O-N 2.8Å; D747-I750 PolarHBondContact O-N 3.2Å; D747-N751 VanDerWaalsContact O-CB 3.25Å; D747-N751 WeakPolarHBondContact O-CB 3.21Å; D747-N751 PolarHBondContact O-N 3.41Å |
| 748 | Q | 84.5 | Confident | 75.4 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175 | -64.8 | 175.9 | 9.8 | 0 | 0 | 112 | L734 T737 T744 M746 L752 | L734-Q748 HydrophobicContact CD1-CB 3.72Å; T737-Q748 VanDerWaalsContact CG2-OE1 3.29Å; T744-Q748 PolarHBondContact O-N 2.81Å; M746-Q748 VanDerWaalsContact C-N 3.28Å; M746-Q748 PolarHBondContact O-N 3.3Å; Q748-L752 WeakPolarHBondContact O-CB 3.16Å; Q748-L752 PolarHBondContact O-N 2.63Å; Q748-L752 VanDerWaalsContact O-N 3.08Å |
| 749 | Y | 91.2 | Very high | 77.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.9 | -34.3 | 176.2 | -80 | -65 | 0 | 0 | 0 | 112.9 | L734 L745 M746 D747 L752 I753 T794 S797 C798 K801 | L734-Y749 HydrophobicContact CD1-CD1 3.9Å; L734-Y749 HydrophobicContact CD1-CD2 3.79Å; L734-Y749 HydrophobicContact CD1-CE1 3.65Å; L734-Y749 HydrophobicContact CD1-CE2 3.52Å; L734-Y749 HydrophobicContact CD1-CG 3.97Å; L734-Y749 VanDerWaalsContact CD1-CZ 3.44Å; L734-Y749 HydrophobicContact CD2-CE1 4.48Å; L734-Y749 HydrophobicContact CG-CD1 4.29Å; L734-Y749 HydrophobicContact CG-CE1 3.83Å; L734-Y749 HydrophobicContact CG-CE2 4.49Å; L745-Y749 HydrophobicContact CD2-CD2 3.9Å; L745-Y749 HydrophobicContact CD2-CE2 3.91Å; L745-Y749 HydrophobicContact CG-CD2 4.4Å; L745-Y749 HydrophobicContact CG-CE2 4.25Å; L745-Y749 WeakPolarHBondContact O-CD2 3.26Å; L745-Y749 PolarHBondContact O-N 3.09Å; M746-Y749 PolarHBondContact O-N 2.58Å; M746-Y749 VanDerWaalsContact O-N 3.12Å; D747-Y749 PolarHBondContact O-N 2.8Å; Y749-L752 PolarHBondContact O-N 2.77Å; Y749-I753 WeakPolarHBondContact O-CD1 3.49Å; Y749-I753 WeakPolarHBondContact O-CG1 3.24Å; Y749-I753 PolarHBondContact O-N 3.45Å; Y749-I753 VanDerWaalsContact O-N 3.14Å; Y749-T794 HydrophobicContact CD1-CG2 3.85Å; Y749-S797 VanDerWaalsContact OH-C 3.28Å; Y749-S797 PolarHBondContact OH-O 3.07Å; Y749-S797 PolarHBondContact OH-OG 3.05Å; Y749-C798 HydrophobicContact CD1-CB 4.07Å; Y749-C798 HydrophobicContact CD2-CB 3.85Å; Y749-C798 HydrophobicContact CE1-CB 4.04Å; Y749-C798 HydrophobicContact CE2-CB 3.82Å; Y749-C798 HydrophobicContact CG-CB 4Å; Y749-K801 HydrophobicContact CE2-CD 4.2Å; Y749-K801 WeakPolarHBondContact OH-CD 3.27Å |
| 750 | I | 90.2 | Very high | 79.1 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -50.3 | 173 | -73.3 | 163.5 | 0 | 0 | 0 | 110.6 | M746 D747 L752 I753 D754 Y823 | M746-I750 WeakPolarHBondContact O-CG1 3.34Å; M746-I750 PolarHBondContact O-N 3.18Å; D747-I750 PolarHBondContact O-N 3.2Å; I750-L752 VanDerWaalsContact C-N 3.28Å; I750-L752 PolarHBondContact O-N 3.13Å; I750-I753 WeakPolarHBondContact O-CB 3.33Å; I750-I753 PolarHBondContact O-N 3.49Å; I750-D754 PolarHBondContact O-N 3Å; I750-D754 VanDerWaalsContact O-N 3.1Å; I750-Y823 HydrophobicContact CB-CE1 4.48Å; I750-Y823 HydrophobicContact CG1-CD1 4.43Å; I750-Y823 HydrophobicContact CG2-CD1 4.45Å; I750-Y823 HydrophobicContact CG2-CE1 3.81Å; I750-Y823 HydrophobicContact CG2-CE2 4.13Å |
| 751 | N | 88.6 | Confident | 80.8 | Confident | 67 Ų | 67 | 44.6 Ų | 44.6 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.6 | -37.1 | 177.5 | -169.9 | 13.9 | 0 | 0 | 0 | 112 | D747 I753 D754 H755 | D747-N751 VanDerWaalsContact O-CB 3.25Å; D747-N751 WeakPolarHBondContact O-CB 3.21Å; D747-N751 PolarHBondContact O-N 3.41Å; N751-I753 PolarHBondContact O-N 2.79Å; N751-D754 PolarHBondContact O-N 3Å; N751-H755 WeakPolarHBondContact O-CB 3.26Å; N751-H755 PolarHBondContact O-CD2 3.02Å; N751-H755 PolarHBondContact O-N 3.42Å; N751-H755 PolarHBondContact OD1-CD2 2.92Å; N751-H755 VanDerWaalsContact OD1-CD2 3.23Å |
| 752 | L | 91.3 | Very high | 81.5 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -36.4 | 172.7 | 177.9 | 58.1 | 0 | 0 | 0 | 112.8 | I732 L734 Q748 Y749 I750 H755 I756 T794 L1183 L1188 I1189 | I732-L752 HydrophobicContact CD1-CD2 4.28Å; L734-L752 HydrophobicContact CD2-CB 4.42Å; L734-L752 HydrophobicContact CD2-CD2 3.79Å; Q748-L752 WeakPolarHBondContact O-CB 3.16Å; Q748-L752 PolarHBondContact O-N 2.63Å; Q748-L752 VanDerWaalsContact O-N 3.08Å; Y749-L752 PolarHBondContact O-N 2.77Å; I750-L752 VanDerWaalsContact C-N 3.28Å; I750-L752 PolarHBondContact O-N 3.13Å; L752-H755 PolarHBondContact O-N 2.92Å; L752-I756 HydrophobicContact CD1-CD1 4.11Å; L752-I756 HydrophobicContact CD1-CG1 4.25Å; L752-I756 HydrophobicContact CG-CD1 4Å; L752-I756 WeakPolarHBondContact O-CB 3.42Å; L752-I756 WeakPolarHBondContact O-CD1 3.36Å; L752-I756 VanDerWaalsContact O-CG1 3.22Å; L752-I756 WeakPolarHBondContact O-CG1 3.42Å; L752-I756 PolarHBondContact O-N 2.9Å; L752-T794 HydrophobicContact CD2-CG2 3.93Å; L752-T794 HydrophobicContact CG-CG2 4.26Å; L752-L1183 HydrophobicContact CD1-CD1 4.49Å; L752-L1188 HydrophobicContact CD1-CB 4.46Å; L752-I1189 HydrophobicContact CD1-CG2 3.64Å; L752-I1189 HydrophobicContact CD2-CG2 3.51Å; L752-I1189 HydrophobicContact CG-CG2 4.25Å |
| 753 | I | 93 | Very high | 82.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 174.8 | -68.4 | 158.9 | 0 | 0 | 0 | 110.6 | Y749 I750 N751 I756 L757 L791 T794 L820 Y823 M824 | Y749-I753 WeakPolarHBondContact O-CD1 3.49Å; Y749-I753 WeakPolarHBondContact O-CG1 3.24Å; Y749-I753 PolarHBondContact O-N 3.45Å; Y749-I753 VanDerWaalsContact O-N 3.14Å; I750-I753 WeakPolarHBondContact O-CB 3.33Å; I750-I753 PolarHBondContact O-N 3.49Å; N751-I753 PolarHBondContact O-N 2.79Å; I753-I756 PolarHBondContact O-N 2.95Å; I753-L757 HydrophobicContact CG2-CD1 3.98Å; I753-L757 WeakPolarHBondContact O-CG 3.28Å; I753-L757 PolarHBondContact O-N 3.37Å; I753-L791 HydrophobicContact CB-CD2 4.35Å; I753-L791 HydrophobicContact CG1-CD2 4.05Å; I753-L791 HydrophobicContact CG2-CD2 3.96Å; I753-T794 HydrophobicContact CG1-CG2 4.15Å; I753-L820 HydrophobicContact CD1-CD1 3.6Å; I753-L820 HydrophobicContact CD1-CG 4.16Å; I753-Y823 HydrophobicContact CB-CD1 4.47Å; I753-Y823 HydrophobicContact CB-CE1 4.24Å; I753-Y823 HydrophobicContact CD1-CD1 3.99Å; I753-Y823 HydrophobicContact CG2-CD1 4.15Å; I753-Y823 HydrophobicContact CG2-CE1 3.98Å; I753-M824 HydrophobicContact CD1-CE 3.64Å; I753-M824 HydrophobicContact CD1-CG 3.58Å; I753-M824 HydrophobicContact CD1-SD 4.49Å; I753-M824 HydrophobicContact CG1-CE 3.85Å; I753-M824 HydrophobicContact CG1-CG 4.09Å; I753-M824 HydrophobicContact CG2-CG 4.38Å |
| 754 | D | 91.5 | Very high | 83.2 | Confident | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.2 | -83.6 | -29.2 | 0 | 0 | 0 | 111.8 | I750 N751 I756 L757 I758 Y823 R827 | I750-D754 PolarHBondContact O-N 3Å; I750-D754 VanDerWaalsContact O-N 3.1Å; N751-D754 PolarHBondContact O-N 3Å; D754-I756 VanDerWaalsContact C-N 3.34Å; D754-I756 PolarHBondContact O-N 3.08Å; D754-L757 PolarHBondContact O-N 3.2Å; D754-I758 WeakPolarHBondContact O-CB 3.27Å; D754-I758 WeakPolarHBondContact O-CD1 3.32Å; D754-I758 VanDerWaalsContact O-CG1 3.25Å; D754-I758 WeakPolarHBondContact O-CG1 3.46Å; D754-I758 PolarHBondContact O-N 3.09Å; D754-Y823 PolarHBondContact OD1-OH 3.26Å; D754-Y823 PolarHBondContact OD2-OH 2.95Å; D754-R827 IonicContact OD1-CZ 3.94Å; D754-R827 IonicContact OD1-NE 3.45Å; D754-R827 PolarHBondContact OD1-NE 2.61Å; D754-R827 IonicContact OD1-NH2 2.95Å; D754-R827 PolarHBondContact OD1-NH2 2.96Å |
| 755 | H | 89.2 | Confident | 82.9 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 175.2 | -87.1 | -67.5 | 0 | 0 | 0 | 113.1 | N751 L752 C759 L1183 L1188 | N751-H755 WeakPolarHBondContact O-CB 3.26Å; N751-H755 PolarHBondContact O-CD2 3.02Å; N751-H755 PolarHBondContact O-N 3.42Å; N751-H755 PolarHBondContact OD1-CD2 2.92Å; N751-H755 VanDerWaalsContact OD1-CD2 3.23Å; L752-H755 PolarHBondContact O-N 2.92Å; H755-C759 PolarHBondContact O-N 3.13Å; H755-C759 PolarHBondContact O-SG 2.77Å; H755-L1183 HydrophobicContact CB-CD2 3.85Å; H755-L1188 HydrophobicContact CB-CD1 3.9Å |
| 756 | I | 91.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 173 | -74.1 | 162.8 | 0 | 0 | 0 | 110.6 | L752 I753 D754 C759 T760 L787 A790 L791 T794 F1179 L1183 | L752-I756 HydrophobicContact CD1-CD1 4.11Å; L752-I756 HydrophobicContact CD1-CG1 4.25Å; L752-I756 HydrophobicContact CG-CD1 4Å; L752-I756 WeakPolarHBondContact O-CB 3.42Å; L752-I756 WeakPolarHBondContact O-CD1 3.36Å; L752-I756 VanDerWaalsContact O-CG1 3.22Å; L752-I756 WeakPolarHBondContact O-CG1 3.42Å; L752-I756 PolarHBondContact O-N 2.9Å; I753-I756 PolarHBondContact O-N 2.95Å; D754-I756 VanDerWaalsContact C-N 3.34Å; D754-I756 PolarHBondContact O-N 3.08Å; I756-C759 WeakPolarHBondContact O-CB 3.22Å; I756-C759 PolarHBondContact O-N 3.47Å; I756-T760 PolarHBondContact O-N 2.69Å; I756-L787 HydrophobicContact CG2-CD1 3.48Å; I756-L787 VanDerWaalsContact CG2-CD1 3.48Å; I756-A790 HydrophobicContact CD1-CB 4.33Å; I756-A790 HydrophobicContact CG2-CB 4.22Å; I756-L791 HydrophobicContact CB-CD2 4.46Å; I756-L791 HydrophobicContact CD1-CD2 4.24Å; I756-L791 HydrophobicContact CG2-CD2 4.03Å; I756-L791 HydrophobicContact CG2-CG 4.31Å; I756-T794 VanDerWaalsContact CD1-OG1 3.31Å; I756-T794 WeakPolarHBondContact CD1-OG1 3.32Å; I756-F1179 HydrophobicContact CG2-CE1 4.45Å; I756-F1179 HydrophobicContact CG2-CZ 4.35Å; I756-L1183 HydrophobicContact CD1-CD1 4.49Å; I756-L1183 HydrophobicContact CG1-CD1 3.49Å; I756-L1183 VanDerWaalsContact CG1-CD1 3.49Å |
| 757 | L | 89.6 | Confident | 80 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | -179.5 | -71.7 | 167 | 0 | 0 | 0 | 112.1 | I753 D754 C759 T760 Q761 L787 R827 W853 | I753-L757 HydrophobicContact CG2-CD1 3.98Å; I753-L757 WeakPolarHBondContact O-CG 3.28Å; I753-L757 PolarHBondContact O-N 3.37Å; D754-L757 PolarHBondContact O-N 3.2Å; L757-C759 VanDerWaalsContact C-N 3.29Å; L757-C759 PolarHBondContact O-N 2.81Å; L757-T760 WeakPolarHBondContact CA-OG1 3.5Å; L757-T760 PolarHBondContact O-N 2.72Å; L757-T760 VanDerWaalsContact O-N 3.11Å; L757-T760 PolarHBondContact O-OG1 3.07Å; L757-Q761 PolarHBondContact O-N 2.88Å; L757-L787 HydrophobicContact CD2-CD1 3.9Å; L757-L787 HydrophobicContact CD2-CD2 4.09Å; L757-R827 HydrophobicContact CD1-CB 3.49Å; L757-R827 VanDerWaalsContact CD1-CB 3.49Å; L757-R827 HydrophobicContact CD1-CG 4.5Å; L757-W853 HydrophobicContact CD2-CH2 4.01Å |
| 758 | I | 84.8 | Confident | 78.1 | Confident | 106 Ų | 106 | 43.3 Ų | 43.3 | 54% | 0.544 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.9 | -42.1 | 173.2 | -69.7 | 163.5 | 0 | 0 | 0 | 110.8 | D754 Q761 S762 | D754-I758 WeakPolarHBondContact O-CB 3.27Å; D754-I758 WeakPolarHBondContact O-CD1 3.32Å; D754-I758 VanDerWaalsContact O-CG1 3.25Å; D754-I758 WeakPolarHBondContact O-CG1 3.46Å; D754-I758 PolarHBondContact O-N 3.09Å; I758-Q761 PolarHBondContact O-N 3.49Å; I758-S762 PolarHBondContact O-N 3.3Å |
| 759 | C | 81.9 | Confident | 75.7 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 14% | 0.135 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 174.1 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | H755 I756 L757 Q761 S762 D763 F1179 | H755-C759 PolarHBondContact O-N 3.13Å; H755-C759 PolarHBondContact O-SG 2.77Å; I756-C759 WeakPolarHBondContact O-CB 3.22Å; I756-C759 PolarHBondContact O-N 3.47Å; L757-C759 VanDerWaalsContact C-N 3.29Å; L757-C759 PolarHBondContact O-N 2.81Å; C759-Q761 VanDerWaalsContact C-N 3.34Å; C759-Q761 PolarHBondContact O-N 3.19Å; C759-S762 PolarHBondContact O-N 3.28Å; C759-S762 VanDerWaalsContact O-N 3.14Å; C759-S762 PolarHBondContact O-OG 2.84Å; C759-D763 PolarHBondContact O-N 3.47Å; C759-F1179 HydrophobicContact CB-CE2 4.41Å |
| 760 | T | 83.8 | Confident | 72.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 177.5 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | I756 L757 S762 D763 L764 L787 Y852 F1179 | I756-T760 PolarHBondContact O-N 2.69Å; L757-T760 WeakPolarHBondContact CA-OG1 3.5Å; L757-T760 PolarHBondContact O-N 2.72Å; L757-T760 VanDerWaalsContact O-N 3.11Å; L757-T760 PolarHBondContact O-OG1 3.07Å; T760-S762 VanDerWaalsContact C-N 3.27Å; T760-S762 PolarHBondContact O-N 2.9Å; T760-D763 PolarHBondContact O-N 2.69Å; T760-L764 WeakPolarHBondContact O-CB 3.31Å; T760-L764 PolarHBondContact O-N 2.79Å; T760-L787 HydrophobicContact CG2-CB 3.9Å; T760-L787 HydrophobicContact CG2-CD1 3.83Å; T760-L787 HydrophobicContact CG2-CD2 4.17Å; T760-L787 HydrophobicContact CG2-CG 4.17Å; T760-Y852 WeakPolarHBondContact CG2-OH 3.46Å; T760-F1179 HydrophobicContact CG2-CE2 3.62Å; T760-F1179 HydrophobicContact CG2-CZ 3.52Å |
| 761 | Q | 77.3 | Confident | 69.9 | Low | 80 Ų | 80 | 56 Ų | 56 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.7 | -32.6 | 177.7 | -159.2 | 71.6 | -21.6 | 0 | 0 | 111.1 | L757 I758 C759 N765 | L757-Q761 PolarHBondContact O-N 2.88Å; I758-Q761 PolarHBondContact O-N 3.49Å; C759-Q761 VanDerWaalsContact C-N 3.34Å; C759-Q761 PolarHBondContact O-N 3.19Å; Q761-N765 WeakPolarHBondContact O-CB 3.49Å; Q761-N765 PolarHBondContact O-N 3.07Å; Q761-N765 VanDerWaalsContact O-N 3.13Å; Q761-N765 PolarHBondContact O-ND2 2.98Å |
| 762 | S | 69.5 | Low | 67.2 | Low | 54 Ų | 54 | 60.6 Ų | 60.6 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 171.8 | 79.3 | 0 | 0 | 0 | 0 | 112.4 | I758 C759 T760 N765 N766 | I758-S762 PolarHBondContact O-N 3.3Å; C759-S762 PolarHBondContact O-N 3.28Å; C759-S762 VanDerWaalsContact O-N 3.14Å; C759-S762 PolarHBondContact O-OG 2.84Å; T760-S762 VanDerWaalsContact C-N 3.27Å; T760-S762 PolarHBondContact O-N 2.9Å; S762-N765 PolarHBondContact O-N 2.92Å; S762-N766 VanDerWaalsContact O-CB 3.26Å; S762-N766 WeakPolarHBondContact O-CB 3.48Å; S762-N766 PolarHBondContact O-N 3.22Å; S762-N766 PolarHBondContact O-ND2 3.46Å; S762-N766 VanDerWaalsContact O-ND2 3.15Å |
| 763 | D | 68.3 | Low | 64 | Low | 76 Ų | 76 | 63.8 Ų | 63.8 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.7 | -81.6 | -19.7 | 0 | 0 | 0 | 112.5 | C759 T760 N765 N766 T767 | C759-D763 PolarHBondContact O-N 3.47Å; T760-D763 PolarHBondContact O-N 2.69Å; D763-N765 VanDerWaalsContact C-N 3.33Å; D763-N765 PolarHBondContact O-N 3.15Å; D763-N766 PolarHBondContact O-N 3.08Å; D763-T767 WeakPolarHBondContact O-CB 3.33Å; D763-T767 WeakPolarHBondContact O-CG2 3.31Å; D763-T767 PolarHBondContact O-N 3.22Å; D763-T767 PolarHBondContact O-OG1 2.9Å |
| 764 | L | 70.4 | Confident | 61 | Low | 17 Ų | 17 | 70.8 Ų | 70.8 | 9% | 0.089 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67 | -35.4 | 179.3 | -158.9 | 68.5 | 0 | 0 | 0 | 111.6 | T760 T767 Q768 P849 Y852 | T760-L764 WeakPolarHBondContact O-CB 3.31Å; T760-L764 PolarHBondContact O-N 2.79Å; L764-T767 PolarHBondContact O-OG1 2.82Å; L764-T767 VanDerWaalsContact O-OG1 3.13Å; L764-Q768 PolarHBondContact O-N 3.35Å; L764-P849 HydrophobicContact CD2-CB 4.06Å; L764-P849 HydrophobicContact CD2-CG 4.23Å; L764-P849 HydrophobicContact CG-CG 4.5Å; L764-Y852 HydrophobicContact CD1-CD1 4.18Å; L764-Y852 HydrophobicContact CD1-CD2 4.45Å; L764-Y852 HydrophobicContact CD1-CG 3.98Å |
| 765 | N | 62.3 | Low | 57.9 | Low | 80 Ų | 80 | 77.7 Ų | 77.7 | 43% | 0.428 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -76.8 | -37.3 | 173.7 | -71.7 | -30.8 | 0 | 0 | 0 | 112.7 | Q761 S762 D763 Q768 K769 | Q761-N765 WeakPolarHBondContact O-CB 3.49Å; Q761-N765 PolarHBondContact O-N 3.07Å; Q761-N765 VanDerWaalsContact O-N 3.13Å; Q761-N765 PolarHBondContact O-ND2 2.98Å; S762-N765 PolarHBondContact O-N 2.92Å; D763-N765 VanDerWaalsContact C-N 3.33Å; D763-N765 PolarHBondContact O-N 3.15Å; N765-Q768 WeakPolarHBondContact O-CB 3.28Å; N765-Q768 PolarHBondContact O-N 3.43Å; N765-K769 PolarHBondContact O-N 3.43Å |
| 766 | N | 51.2 | Low | 55 | Low | 83 Ų | 83 | 77.9 Ų | 77.9 | 44% | 0.444 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 176.1 | -74.5 | -25.9 | 0 | 0 | 0 | 111.5 | S762 D763 Q768 K769 L770 | S762-N766 VanDerWaalsContact O-CB 3.26Å; S762-N766 WeakPolarHBondContact O-CB 3.48Å; S762-N766 PolarHBondContact O-N 3.22Å; S762-N766 PolarHBondContact O-ND2 3.46Å; S762-N766 VanDerWaalsContact O-ND2 3.15Å; D763-N766 PolarHBondContact O-N 3.08Å; N766-Q768 PolarHBondContact O-N 3.28Å; N766-K769 PolarHBondContact O-N 3.06Å; N766-K769 VanDerWaalsContact O-N 3.08Å; N766-L770 PolarHBondContact O-N 3.05Å |
| 767 | T | 47.8 | Very low | 52.2 | Low | 59 Ų | 59 | 84.5 Ų | 84.5 | 36% | 0.362 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.8 | -15.2 | 174.2 | 50.6 | 0 | 0 | 0 | 0 | 113.9 | D763 L764 | D763-T767 WeakPolarHBondContact O-CB 3.33Å; D763-T767 WeakPolarHBondContact O-CG2 3.31Å; D763-T767 PolarHBondContact O-N 3.22Å; D763-T767 PolarHBondContact O-OG1 2.9Å; L764-T767 PolarHBondContact O-OG1 2.82Å; L764-T767 VanDerWaalsContact O-OG1 3.13Å |
| 768 | Q | 42.4 | Very low | 49.4 | Very low | 76 Ų | 76 | 89.7 Ų | 89.7 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -77 | -41.6 | 163.8 | -70.6 | -177 | -1.8 | 0 | 0 | 111.9 | L764 N765 N766 S771 | L764-Q768 PolarHBondContact O-N 3.35Å; N765-Q768 WeakPolarHBondContact O-CB 3.28Å; N765-Q768 PolarHBondContact O-N 3.43Å; N766-Q768 PolarHBondContact O-N 3.28Å; Q768-S771 WeakPolarHBondContact O-CB 3.41Å; Q768-S771 PolarHBondContact O-OG 3.35Å |
| 769 | K | 33.6 | Very low | 47.1 | Very low | 163 Ų | 163 | 92.3 Ų | 92.3 | 71% | 0.709 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71 | -34.1 | 178.8 | -76.8 | -174.2 | 174.8 | 179.9 | 0 | 114.4 | N765 N766 S771 L772 | N765-K769 PolarHBondContact O-N 3.43Å; N766-K769 PolarHBondContact O-N 3.06Å; N766-K769 VanDerWaalsContact O-N 3.08Å; K769-S771 PolarHBondContact O-N 3.16Å; K769-L772 PolarHBondContact O-N 3.33Å; K769-L772 VanDerWaalsContact O-N 3.09Å |
| 770 | L | 28.9 | Very low | 45.3 | Very low | 111 Ų | 111 | 95.7 Ų | 95.7 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -63.9 | -3.9 | 177.1 | -88.4 | 152.8 | 0 | 0 | 0 | 114.3 | N766 L772 | N766-L770 PolarHBondContact O-N 3.05Å; L770-L772 PolarHBondContact O-N 3.38Å |
| 771 | S | 31.3 | Very low | 43.8 | Very low | 77 Ų | 77 | 103.6 Ų | 103.6 | 54% | 0.538 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -65.7 | -10.6 | 166.2 | -41 | 0 | 0 | 0 | 0 | 113.9 | Q768 K769 | Q768-S771 WeakPolarHBondContact O-CB 3.41Å; Q768-S771 PolarHBondContact O-OG 3.35Å; K769-S771 PolarHBondContact O-N 3.16Å |
| 772 | L | 30.7 | Very low | 43.1 | Very low | 165 Ų | 165 | 103 Ų | 103 | 86% | 0.864 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -126.5 | 7.2 | -168.9 | -73 | 167.6 | 0 | 0 | 0 | 115.3 | K769 L770 | K769-L772 PolarHBondContact O-N 3.33Å; K769-L772 VanDerWaalsContact O-N 3.09Å; L770-L772 PolarHBondContact O-N 3.38Å |
| 773 | S | 25.3 | Very low | 43.7 | Very low | 69 Ų | 69 | 100.9 Ų | 100.9 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | trans | -129 | 116.6 | 179.8 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 774 | H | 29.9 | Very low | 44.6 | Very low | 147 Ų | 147 | 100.4 Ų | 100.4 | 68% | 0.681 | 53% | 0.527 | S | S | * | . | trans | -105.1 | 63.2 | -167.4 | -168.1 | -62.1 | 0 | 0 | 0 | 112.5 | ||||
| 775 | E | 26.7 | Very low | 45.5 | Very low | 173 Ų | 173 | 99.6 Ų | 99.6 | 81% | 0.808 | 52% | 0.523 | S | S | * | . | trans | -133.4 | 144.8 | 179 | -77.3 | -63.6 | 155.2 | 0 | 0 | 112.2 | ||||
| 776 | D | 27.5 | Very low | 46.7 | Very low | 70 Ų | 70 | 96.1 Ų | 96.1 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | trans | 40.6 | 98.5 | 170.9 | -100.5 | -1.7 | 0 | 0 | 0 | 119.8 | V778 | D776-V778 PolarHBondContact O-N 3.06Š| ||
| 777 | P | 32.9 | Very low | 48.7 | Very low | 139 Ų | 139 | 92.2 Ų | 92.2 | 90% | 0.903 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 21.1 | 177.1 | 35 | -37.9 | 0 | 0 | 0 | 114.6 | ||
| 778 | V | 31 | Very low | 50.8 | Low | 116 Ų | 116 | 89.5 Ų | 89.5 | 70% | 0.703 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -14.8 | -166.5 | -176 | 0 | 0 | 0 | 0 | 113.4 | D776 | D776-V778 PolarHBondContact O-N 3.06Š|
| 779 | K | 36.8 | Very low | 53.2 | Low | 161 Ų | 161 | 85.9 Ų | 85.9 | 70% | 0.7 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -122.8 | 63.3 | -170.6 | -72.1 | 176.9 | -178.9 | 159 | 0 | 115.3 | ||
| 780 | S | 44.1 | Very low | 56 | Low | 92 Ų | 92 | 78.1 Ų | 78.1 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | trans | 178.1 | 122.7 | 136.9 | 39 | 0 | 0 | 0 | 0 | 111.4 | S782 | S780-S782 PolarHBondContact O-N 3.47Š| ||
| 781 | R | 51.3 | Low | 59.1 | Low | 168 Ų | 168 | 72.9 Ų | 72.9 | 63% | 0.634 | 39% | 0.389 | S | S | * | . | trans | -86.1 | 82.5 | 164.4 | -82.2 | -168.8 | 175.7 | 172 | 6.1 | 108.5 | F783 D1174 G1175 | R781-F783 PolarHBondContact O-N 3.17Å; R781-D1174 IonicContact CZ-OD2 3.53Å; R781-D1174 IonicContact NH1-OD1 3.79Å; R781-D1174 IonicContact NH1-OD2 2.99Å; R781-D1174 PolarHBondContact NH1-OD2 3.18Å; R781-G1175 VanDerWaalsContact O-CA 3.23Å; R781-G1175 WeakPolarHBondContact O-CA 3.39Å | ||
| 782 | S | 64.1 | Low | 61.9 | Low | 66 Ų | 66 | 69.2 Ų | 69.2 | 46% | 0.462 | 36% | 0.363 | S | S | . | . | trans | -60.6 | 101.4 | 179.8 | -38.1 | 0 | 0 | 0 | 0 | 111.2 | S780 Y784 | S780-S782 PolarHBondContact O-N 3.47Å; S782-Y784 VanDerWaalsContact O-CD2 3.27Å; S782-Y784 WeakPolarHBondContact O-CD2 3.15Å; S782-Y784 PolarHBondContact O-N 2.87Å; S782-Y784 VanDerWaalsContact O-N 3.12Å | ||
| 783 | F | 82 | Confident | 64.8 | Low | 10 Ų | 10 | 61.4 Ų | 61.4 | 4% | 0.044 | 32% | 0.323 | C | S | . | . | trans | -80.9 | 90.2 | 175.8 | -177.3 | -103.6 | 0 | 0 | 0 | 109.4 | R781 L785 S786 Y789 L1169 P1173 D1174 L1176 | R781-F783 PolarHBondContact O-N 3.17Å; F783-L785 VanDerWaalsContact CE1-C 3.48Å; F783-L785 HydrophobicContact CE1-CB 3.84Å; F783-L785 HydrophobicContact CZ-CB 4Å; F783-L785 PolarHBondContact O-N 2.88Å; F783-S786 VanDerWaalsContact CD1-N 3.35Å; F783-S786 WeakPolarHBondContact O-CB 3.45Å; F783-S786 PolarHBondContact O-N 3.41Å; F783-S786 PolarHBondContact O-OG 2.83Å; F783-Y789 HydrophobicContact CE1-CD1 4.21Å; F783-Y789 AromaticContact CE1-CD2 3.77Å; F783-Y789 HydrophobicContact CE1-CD2 3.77Å; F783-Y789 HydrophobicContact CE1-CE2 4.19Å; F783-Y789 AromaticContact CE1-CG 3.8Å; F783-Y789 HydrophobicContact CE1-CG 3.8Å; F783-Y789 HydrophobicContact CZ-CD1 4.24Å; F783-Y789 AromaticContact CZ-CD2 3.99Å; F783-Y789 HydrophobicContact CZ-CD2 3.99Å; F783-Y789 HydrophobicContact CZ-CE1 4.18Å; F783-Y789 AromaticContact CZ-CE2 3.93Å; F783-Y789 HydrophobicContact CZ-CE2 3.93Å; F783-Y789 HydrophobicContact CZ-CG 4.17Å; F783-L1169 HydrophobicContact CE2-CD1 4.01Å; F783-L1169 HydrophobicContact CE2-CD2 4.46Å; F783-L1169 HydrophobicContact CZ-CD1 4.38Å; F783-P1173 HydrophobicContact CD2-CB 3.66Å; F783-P1173 HydrophobicContact CE1-CB 4.21Å; F783-P1173 HydrophobicContact CE1-CG 4.45Å; F783-P1173 HydrophobicContact CE2-CB 3.22Å; F783-P1173 HydrophobicContact CE2-CG 3.93Å; F783-P1173 HydrophobicContact CG-CB 4.34Å; F783-P1173 HydrophobicContact CZ-CB 3.56Å; F783-P1173 HydrophobicContact CZ-CG 3.78Å; F783-D1174 WeakPolarHBondContact CB-O 3.12Å; F783-L1176 HydrophobicContact CD1-CB 4.28Å; F783-L1176 HydrophobicContact CD1-CD1 4.35Å; F783-L1176 HydrophobicContact CE1-CD1 4.47Å | ||
| 784 | Y | 86.1 | Confident | 68 | Low | 67 Ų | 67 | 58.1 Ų | 58.1 | 26% | 0.263 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15 | -171.7 | -81.1 | -97.4 | 0 | 0 | 0 | 116.3 | S782 Y852 N856 K977 | S782-Y784 VanDerWaalsContact O-CD2 3.27Å; S782-Y784 WeakPolarHBondContact O-CD2 3.15Å; S782-Y784 PolarHBondContact O-N 2.87Å; S782-Y784 VanDerWaalsContact O-N 3.12Å; Y784-Y852 HydrophobicContact CD1-CD2 4.08Å; Y784-Y852 VanDerWaalsContact O-CE2 3.31Å; Y784-Y852 WeakPolarHBondContact O-CE2 3.47Å; Y784-N856 PolarHBondContact O-ND2 3.46Å; Y784-K977 VanDerWaalsContact CB-O 3.31Å; Y784-K977 WeakPolarHBondContact CB-O 3.46Å; Y784-K977 WeakPolarHBondContact CD2-O 3.42Å; Y784-K977 HydrophobicContact CE2-CB 4.26Å; Y784-K977 VanDerWaalsContact CG-O 3.27Å |
| 785 | L | 89.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 16.6 | 174.2 | -63.4 | 176.5 | 0 | 0 | 0 | 113.1 | F783 L787 A788 Y789 N856 E859 R979 Y1163 V1164 | F783-L785 VanDerWaalsContact CE1-C 3.48Å; F783-L785 HydrophobicContact CE1-CB 3.84Å; F783-L785 HydrophobicContact CZ-CB 4Å; F783-L785 PolarHBondContact O-N 2.88Å; L785-L787 VanDerWaalsContact C-N 3.28Å; L785-L787 PolarHBondContact O-N 3.27Å; L785-A788 PolarHBondContact O-N 3.17Å; L785-Y789 HydrophobicContact CB-CD2 4.09Å; L785-Y789 HydrophobicContact CB-CE2 4.12Å; L785-Y789 VanDerWaalsContact O-CD2 3.22Å; L785-Y789 WeakPolarHBondContact O-CD2 3.22Å; L785-Y789 PolarHBondContact O-N 3.16Å; L785-N856 VanDerWaalsContact C-OD1 3.23Å; L785-N856 VanDerWaalsContact CA-OD1 3.27Å; L785-N856 WeakPolarHBondContact CA-OD1 3.29Å; L785-N856 PolarHBondContact O-OD1 2.68Å; L785-E859 HydrophobicContact CD1-CG 4.27Å; L785-E859 HydrophobicContact CD2-CB 4.29Å; L785-R979 HydrophobicContact CD1-CB 3.75Å; L785-R979 HydrophobicContact CD2-CB 4.28Å; L785-R979 HydrophobicContact CG-CB 3.93Å; L785-Y1163 HydrophobicContact CD1-CD1 4.44Å; L785-V1164 HydrophobicContact CD1-CG2 4.5Å |
| 786 | S | 88.4 | Confident | 73.9 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -36.4 | -173.2 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | F783 Y789 A790 F1179 | F783-S786 VanDerWaalsContact CD1-N 3.35Å; F783-S786 WeakPolarHBondContact O-CB 3.45Å; F783-S786 PolarHBondContact O-N 3.41Å; F783-S786 PolarHBondContact O-OG 2.83Å; S786-Y789 PolarHBondContact O-N 2.85Å; S786-A790 WeakPolarHBondContact O-CB 3.23Å; S786-A790 PolarHBondContact O-N 3.03Å; S786-F1179 VanDerWaalsContact CB-CG 3.41Å; S786-F1179 WeakPolarHBondContact OG-CD2 3.44Å; S786-F1179 WeakPolarHBondContact OG-CG 3.36Å |
| 787 | L | 92.7 | Very high | 76.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -50.5 | 179.5 | 179.8 | 56.7 | 0 | 0 | 0 | 111.7 | I756 L757 T760 L785 Y789 A790 L791 Y852 W853 N856 | I756-L787 HydrophobicContact CG2-CD1 3.48Å; I756-L787 VanDerWaalsContact CG2-CD1 3.48Å; L757-L787 HydrophobicContact CD2-CD1 3.9Å; L757-L787 HydrophobicContact CD2-CD2 4.09Å; T760-L787 HydrophobicContact CG2-CB 3.9Å; T760-L787 HydrophobicContact CG2-CD1 3.83Å; T760-L787 HydrophobicContact CG2-CD2 4.17Å; T760-L787 HydrophobicContact CG2-CG 4.17Å; L785-L787 VanDerWaalsContact C-N 3.28Å; L785-L787 PolarHBondContact O-N 3.27Å; L787-Y789 VanDerWaalsContact C-N 3.28Å; L787-Y789 PolarHBondContact O-N 3.43Å; L787-A790 PolarHBondContact O-N 3.21Å; L787-L791 HydrophobicContact CD1-CD1 3.63Å; L787-L791 HydrophobicContact CD1-CD2 4.47Å; L787-L791 HydrophobicContact CD1-CG 3.82Å; L787-L791 HydrophobicContact CG-CD1 3.99Å; L787-L791 HydrophobicContact CG-CG 4.48Å; L787-L791 WeakPolarHBondContact O-CB 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.48Å; L787-L791 PolarHBondContact O-N 3.47Å; L787-Y852 HydrophobicContact CD2-CE1 4.41Å; L787-W853 HydrophobicContact CD2-CE3 4.29Å; L787-W853 HydrophobicContact CD2-CH2 3.55Å; L787-W853 HydrophobicContact CD2-CZ3 3.34Å; L787-N856 HydrophobicContact CB-CB 4.34Å; L787-N856 WeakPolarHBondContact CB-OD1 3.38Å; L787-N856 HydrophobicContact CD2-CB 4.47Å; L787-N856 PolarHBondContact N-OD1 3.08Å |
| 788 | A | 91.9 | Very high | 79.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L785 Y792 N856 E859 L860 F863 | L785-A788 PolarHBondContact O-N 3.17Å; A788-Y792 VanDerWaalsContact O-CB 3.26Å; A788-Y792 WeakPolarHBondContact O-CB 3.49Å; A788-Y792 PolarHBondContact O-N 3.17Å; A788-Y792 VanDerWaalsContact O-N 3.09Å; A788-N856 HydrophobicContact CB-CB 4.35Å; A788-N856 PolarHBondContact N-OD1 3.44Å; A788-N856 VanDerWaalsContact N-OD1 3.12Å; A788-E859 HydrophobicContact CB-CB 4.14Å; A788-E859 HydrophobicContact CB-CG 4.41Å; A788-L860 HydrophobicContact CB-CB 4.13Å; A788-F863 HydrophobicContact CB-CE2 4.46Å |
| 789 | Y | 91.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.4 | -43 | 178.2 | -81.3 | -116.2 | 0 | 0 | 0 | 112.1 | F783 L785 S786 L787 L793 E859 F863 V1164 P1173 L1176 W1206 | F783-Y789 HydrophobicContact CE1-CD1 4.21Å; F783-Y789 AromaticContact CE1-CD2 3.77Å; F783-Y789 HydrophobicContact CE1-CD2 3.77Å; F783-Y789 HydrophobicContact CE1-CE2 4.19Å; F783-Y789 AromaticContact CE1-CG 3.8Å; F783-Y789 HydrophobicContact CE1-CG 3.8Å; F783-Y789 HydrophobicContact CZ-CD1 4.24Å; F783-Y789 AromaticContact CZ-CD2 3.99Å; F783-Y789 HydrophobicContact CZ-CD2 3.99Å; F783-Y789 HydrophobicContact CZ-CE1 4.18Å; F783-Y789 AromaticContact CZ-CE2 3.93Å; F783-Y789 HydrophobicContact CZ-CE2 3.93Å; F783-Y789 HydrophobicContact CZ-CG 4.17Å; L785-Y789 HydrophobicContact CB-CD2 4.09Å; L785-Y789 HydrophobicContact CB-CE2 4.12Å; L785-Y789 VanDerWaalsContact O-CD2 3.22Å; L785-Y789 WeakPolarHBondContact O-CD2 3.22Å; L785-Y789 PolarHBondContact O-N 3.16Å; S786-Y789 PolarHBondContact O-N 2.85Å; L787-Y789 VanDerWaalsContact C-N 3.28Å; L787-Y789 PolarHBondContact O-N 3.43Å; Y789-L793 WeakPolarHBondContact O-CB 3.34Å; Y789-L793 WeakPolarHBondContact O-CD1 3.44Å; Y789-L793 WeakPolarHBondContact O-CG 3.39Å; Y789-L793 PolarHBondContact O-N 2.95Å; Y789-E859 HydrophobicContact CE2-CG 4.26Å; Y789-F863 AromaticContact CD2-CE2 3.92Å; Y789-F863 HydrophobicContact CD2-CE2 3.92Å; Y789-F863 AromaticContact CD2-CZ 3.98Å; Y789-F863 HydrophobicContact CD2-CZ 3.98Å; Y789-F863 HydrophobicContact CE1-CZ 4.45Å; Y789-F863 AromaticContact CE2-CE2 3.91Å; Y789-F863 HydrophobicContact CE2-CE2 3.91Å; Y789-F863 AromaticContact CE2-CZ 3.46Å; Y789-F863 HydrophobicContact CE2-CZ 3.46Å; Y789-F863 VanDerWaalsContact CE2-CZ 3.46Å; Y789-F863 HydrophobicContact CG-CE2 4.44Å; Y789-F863 AromaticContact CZ-CZ 3.7Å; Y789-V1164 WeakPolarHBondContact OH-CG1 3.49Å; Y789-V1164 WeakPolarHBondContact OH-CG2 3.48Å; Y789-P1173 HydrophobicContact CD1-CG 4.02Å; Y789-P1173 HydrophobicContact CE1-CG 3.77Å; Y789-L1176 HydrophobicContact CD1-CD2 4.04Å; Y789-L1176 HydrophobicContact CG-CD2 4.47Å; Y789-W1206 AromaticContact CD1-CD2 3.91Å; Y789-W1206 HydrophobicContact CD1-CD2 3.91Å; Y789-W1206 AromaticContact CD1-CE3 3.67Å; Y789-W1206 HydrophobicContact CD1-CE3 3.67Å; Y789-W1206 AromaticContact CD1-CH2 3.71Å; Y789-W1206 HydrophobicContact CD1-CH2 3.71Å; Y789-W1206 AromaticContact CD1-CZ2 3.93Å; Y789-W1206 HydrophobicContact CD1-CZ2 3.93Å; Y789-W1206 AromaticContact CD1-CZ3 3.56Å; Y789-W1206 HydrophobicContact CD1-CZ3 3.56Å; Y789-W1206 AromaticContact CE1-CD2 3.49Å; Y789-W1206 HydrophobicContact CE1-CD2 3.49Å; Y789-W1206 VanDerWaalsContact CE1-CD2 3.49Å; Y789-W1206 AromaticContact CE1-CE2 3.79Å; Y789-W1206 AromaticContact CE1-CE3 3.62Å; Y789-W1206 HydrophobicContact CE1-CE3 3.62Å; Y789-W1206 AromaticContact CE1-CG 3.92Å; Y789-W1206 HydrophobicContact CE1-CG 3.92Å; Y789-W1206 HydrophobicContact CE1-CH2 4.3Å; Y789-W1206 HydrophobicContact CE1-CZ2 4.2Å; Y789-W1206 HydrophobicContact CE1-CZ3 4.03Å; Y789-W1206 HydrophobicContact CG-CZ3 4.42Å |
| 790 | A | 92.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I756 S786 L787 L793 T794 F1179 L1180 | I756-A790 HydrophobicContact CD1-CB 4.33Å; I756-A790 HydrophobicContact CG2-CB 4.22Å; S786-A790 WeakPolarHBondContact O-CB 3.23Å; S786-A790 PolarHBondContact O-N 3.03Å; L787-A790 PolarHBondContact O-N 3.21Å; A790-L793 WeakPolarHBondContact O-CB 3.3Å; A790-L793 PolarHBondContact O-N 3.15Å; A790-T794 PolarHBondContact O-N 3.09Å; A790-T794 PolarHBondContact O-OG1 3.35Å; A790-T794 VanDerWaalsContact O-OG1 3.07Å; A790-F1179 HydrophobicContact CB-CD1 4.32Å; A790-F1179 HydrophobicContact CB-CE1 3.75Å; A790-L1180 HydrophobicContact CB-CD2 3.97Å |
| 791 | L | 94.1 | Very high | 86 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.7 | -68.5 | 177.3 | 0 | 0 | 0 | 111.8 | I753 I756 L787 L793 T794 Y795 M824 I828 L860 | I753-L791 HydrophobicContact CB-CD2 4.35Å; I753-L791 HydrophobicContact CG1-CD2 4.05Å; I753-L791 HydrophobicContact CG2-CD2 3.96Å; I756-L791 HydrophobicContact CB-CD2 4.46Å; I756-L791 HydrophobicContact CD1-CD2 4.24Å; I756-L791 HydrophobicContact CG2-CD2 4.03Å; I756-L791 HydrophobicContact CG2-CG 4.31Å; L787-L791 HydrophobicContact CD1-CD1 3.63Å; L787-L791 HydrophobicContact CD1-CD2 4.47Å; L787-L791 HydrophobicContact CD1-CG 3.82Å; L787-L791 HydrophobicContact CG-CD1 3.99Å; L787-L791 HydrophobicContact CG-CG 4.48Å; L787-L791 WeakPolarHBondContact O-CB 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.48Å; L787-L791 PolarHBondContact O-N 3.47Å; L791-L793 PolarHBondContact O-N 2.97Å; L791-T794 WeakPolarHBondContact O-CB 3.44Å; L791-T794 PolarHBondContact O-N 3.27Å; L791-Y795 PolarHBondContact O-N 3.07Å; L791-M824 HydrophobicContact CB-CE 4.37Å; L791-M824 HydrophobicContact CB-SD 4.08Å; L791-M824 HydrophobicContact CD2-CE 4.39Å; L791-M824 HydrophobicContact CD2-CG 4.41Å; L791-M824 VanDerWaalsContact O-CE 3.27Å; L791-M824 WeakPolarHBondContact O-CE 3.28Å; L791-I828 HydrophobicContact CD1-CD1 3.7Å; L791-I828 HydrophobicContact CD1-CG1 4.14Å; L791-L860 HydrophobicContact CB-CD1 4.47Å; L791-L860 HydrophobicContact CB-CD2 4.45Å; L791-L860 HydrophobicContact CD1-CD2 4.17Å |
| 792 | Y | 91.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 174.7 | -175.5 | -104.3 | 0 | 0 | 0 | 112.5 | L728 A788 Y795 R796 F863 F864 D867 M1210 | L728-Y792 HydrophobicContact CD1-CD1 4.34Å; L728-Y792 HydrophobicContact CD1-CE1 3.92Å; L728-Y792 HydrophobicContact CD2-CE1 4.24Å; A788-Y792 VanDerWaalsContact O-CB 3.26Å; A788-Y792 WeakPolarHBondContact O-CB 3.49Å; A788-Y792 PolarHBondContact O-N 3.17Å; A788-Y792 VanDerWaalsContact O-N 3.09Å; Y792-Y795 AromaticContact CD2-CD1 3.75Å; Y792-Y795 HydrophobicContact CD2-CD1 3.75Å; Y792-Y795 HydrophobicContact CD2-CE1 4.13Å; Y792-Y795 AromaticContact CE2-CD1 3.79Å; Y792-Y795 HydrophobicContact CE2-CD1 3.79Å; Y792-Y795 AromaticContact CE2-CE1 3.67Å; Y792-Y795 HydrophobicContact CE2-CE1 3.67Å; Y792-Y795 PolarHBondContact O-N 3.43Å; Y792-R796 HydrophobicContact CD1-CG 4.44Å; Y792-R796 HydrophobicContact CE1-CG 3.9Å; Y792-R796 HydrophobicContact CE2-CG 4.23Å; Y792-R796 WeakPolarHBondContact O-CB 3.46Å; Y792-R796 PolarHBondContact O-N 3.45Å; Y792-R796 PolarHBondContact OH-NE 2.93Å; Y792-R796 VanDerWaalsContact OH-NE 3.14Å; Y792-F863 HydrophobicContact CD1-CD2 4.36Å; Y792-F863 HydrophobicContact CD2-CB 3.79Å; Y792-F863 HydrophobicContact CD2-CD2 4.17Å; Y792-F863 HydrophobicContact CD2-CG 4.35Å; Y792-F863 HydrophobicContact CE2-CB 4.05Å; Y792-F863 HydrophobicContact CG-CB 4.32Å; Y792-F863 AromaticContact CG-CD2 3.85Å; Y792-F863 HydrophobicContact CG-CD2 3.85Å; Y792-F863 HydrophobicContact CG-CG 4.4Å; Y792-F864 HydrophobicContact CD2-CD1 4.37Å; Y792-F864 HydrophobicContact CD2-CE1 4.3Å; Y792-D867 VanDerWaalsContact CE2-OD2 3.31Å; Y792-D867 WeakPolarHBondContact CE2-OD2 3.32Å; Y792-D867 PolarHBondContact OH-OD2 3Å; Y792-M1210 HydrophobicContact CD1-CE 3.8Å; Y792-M1210 HydrophobicContact CE1-CE 3.43Å; Y792-M1210 VanDerWaalsContact CE1-CE 3.43Å; Y792-M1210 HydrophobicContact CE1-CG 4.08Å; Y792-M1210 HydrophobicContact CE1-SD 3.92Å; Y792-M1210 HydrophobicContact CE2-SD 4.17Å; Y792-M1210 HydrophobicContact CG-CE 4.48Å; Y792-M1210 VanDerWaalsContact OH-CG 3.31Å; Y792-M1210 WeakPolarHBondContact OH-CG 3.19Å |
| 793 | L | 91.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 171.5 | -74.3 | 166.1 | 0 | 0 | 0 | 112.4 | L728 L730 I732 Y789 A790 L791 R796 S797 L1176 L1180 W1206 | L728-L793 HydrophobicContact CD1-CD2 4.01Å; L730-L793 HydrophobicContact CB-CD2 4.3Å; L730-L793 HydrophobicContact CD2-CD1 3.94Å; L730-L793 WeakPolarHBondContact O-CD2 3.41Å; I732-L793 HydrophobicContact CD1-CB 4.02Å; I732-L793 HydrophobicContact CG1-CB 4.24Å; I732-L793 HydrophobicContact CG2-CB 4.22Å; I732-L793 HydrophobicContact CG2-CD1 4.28Å; Y789-L793 WeakPolarHBondContact O-CB 3.34Å; Y789-L793 WeakPolarHBondContact O-CD1 3.44Å; Y789-L793 WeakPolarHBondContact O-CG 3.39Å; Y789-L793 PolarHBondContact O-N 2.95Å; A790-L793 WeakPolarHBondContact O-CB 3.3Å; A790-L793 PolarHBondContact O-N 3.15Å; L791-L793 PolarHBondContact O-N 2.97Å; L793-R796 PolarHBondContact O-N 3.48Å; L793-S797 VanDerWaalsContact O-CB 3.31Å; L793-S797 WeakPolarHBondContact O-CB 3.35Å; L793-S797 PolarHBondContact O-N 3.27Å; L793-L1176 HydrophobicContact CD1-CD2 4.35Å; L793-L1180 HydrophobicContact CD1-CD1 4.31Å; L793-W1206 HydrophobicContact CD1-CH2 4.14Å; L793-W1206 HydrophobicContact CD2-CH2 4.03Å; L793-W1206 HydrophobicContact CD2-CZ3 4.3Å; L793-W1206 HydrophobicContact CG-CH2 4.15Å; L793-W1206 HydrophobicContact CG-CZ3 4.3Å |
| 794 | T | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 174.8 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | I732 Y749 L752 I753 I756 A790 L791 S797 C798 M824 | I732-T794 WeakPolarHBondContact CD1-OG1 3.45Å; Y749-T794 HydrophobicContact CD1-CG2 3.85Å; L752-T794 HydrophobicContact CD2-CG2 3.93Å; L752-T794 HydrophobicContact CG-CG2 4.26Å; I753-T794 HydrophobicContact CG1-CG2 4.15Å; I756-T794 VanDerWaalsContact CD1-OG1 3.31Å; I756-T794 WeakPolarHBondContact CD1-OG1 3.32Å; A790-T794 PolarHBondContact O-N 3.09Å; A790-T794 PolarHBondContact O-OG1 3.35Å; A790-T794 VanDerWaalsContact O-OG1 3.07Å; L791-T794 WeakPolarHBondContact O-CB 3.44Å; L791-T794 PolarHBondContact O-N 3.27Å; T794-S797 WeakPolarHBondContact O-CB 3.31Å; T794-S797 PolarHBondContact O-N 2.92Å; T794-C798 PolarHBondContact O-N 2.98Å; T794-M824 HydrophobicContact CG2-CE 3.99Å |
| 795 | Y | 91.3 | Very high | 87 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 175.7 | 149.2 | -96.6 | 0 | 0 | 0 | 111.8 | L791 Y792 S797 C798 I799 I817 T821 F864 D867 L870 | L791-Y795 PolarHBondContact O-N 3.07Å; Y792-Y795 AromaticContact CD2-CD1 3.75Å; Y792-Y795 HydrophobicContact CD2-CD1 3.75Å; Y792-Y795 HydrophobicContact CD2-CE1 4.13Å; Y792-Y795 AromaticContact CE2-CD1 3.79Å; Y792-Y795 HydrophobicContact CE2-CD1 3.79Å; Y792-Y795 AromaticContact CE2-CE1 3.67Å; Y792-Y795 HydrophobicContact CE2-CE1 3.67Å; Y792-Y795 PolarHBondContact O-N 3.43Å; Y795-S797 VanDerWaalsContact C-N 3.34Å; Y795-S797 PolarHBondContact O-N 2.7Å; Y795-C798 WeakPolarHBondContact O-CB 3.05Å; Y795-C798 PolarHBondContact O-N 3.25Å; Y795-I799 HydrophobicContact CD2-CD1 4.42Å; Y795-I799 HydrophobicContact CD2-CG1 4.49Å; Y795-I799 HydrophobicContact CE2-CD1 3.45Å; Y795-I799 VanDerWaalsContact CE2-CD1 3.45Å; Y795-I799 HydrophobicContact CE2-CG1 3.95Å; Y795-I799 PolarHBondContact O-N 3.14Å; Y795-I799 VanDerWaalsContact OH-CD1 3.24Å; Y795-I799 WeakPolarHBondContact OH-CD1 3.22Å; Y795-I817 HydrophobicContact CE2-CG2 4.36Å; Y795-T821 HydrophobicContact CD2-CG2 4.1Å; Y795-T821 HydrophobicContact CE2-CG2 4.41Å; Y795-F864 HydrophobicContact CD1-CE1 4.03Å; Y795-F864 HydrophobicContact CD2-CE1 4.43Å; Y795-F864 AromaticContact CG-CE1 4Å; Y795-F864 HydrophobicContact CG-CE1 4Å; Y795-D867 PolarHBondContact OH-OD1 2.81Å; Y795-L870 HydrophobicContact CE1-CD1 4.14Å; Y795-L870 HydrophobicContact CE2-CD1 3.87Å; Y795-L870 HydrophobicContact CE2-CD2 4.06Å; Y795-L870 HydrophobicContact CE2-CG 4.04Å; Y795-L870 WeakPolarHBondContact OH-CD1 3.23Å; Y795-L870 VanDerWaalsContact OH-CG 3.3Å; Y795-L870 WeakPolarHBondContact OH-CG 3.24Å |
| 796 | R | 88.1 | Confident | 85.3 | Confident | 57 Ų | 57 | 27.4 Ų | 27.4 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.3 | -31.6 | 176.9 | -77.7 | -56.6 | -162.1 | 145.7 | -11.7 | 113.5 | L728 Y792 L793 K800 D867 D869 | L728-R796 HydrophobicContact CD1-CB 4.25Å; L728-R796 HydrophobicContact CD1-CG 4.13Å; Y792-R796 HydrophobicContact CD1-CG 4.44Å; Y792-R796 HydrophobicContact CE1-CG 3.9Å; Y792-R796 HydrophobicContact CE2-CG 4.23Å; Y792-R796 WeakPolarHBondContact O-CB 3.46Å; Y792-R796 PolarHBondContact O-N 3.45Å; Y792-R796 PolarHBondContact OH-NE 2.93Å; Y792-R796 VanDerWaalsContact OH-NE 3.14Å; L793-R796 PolarHBondContact O-N 3.48Å; R796-K800 WeakPolarHBondContact O-CB 3.12Å; R796-K800 PolarHBondContact O-N 3.08Å; R796-K800 VanDerWaalsContact O-N 3.11Å; R796-D867 IonicContact CZ-OD1 2.71Å; R796-D867 IonicContact CZ-OD2 3.98Å; R796-D867 VanDerWaalsContact CZ-OD2 3.25Å; R796-D867 IonicContact NE-OD1 3.48Å; R796-D867 IonicContact NE-OD2 2.88Å; R796-D867 PolarHBondContact NE-OD2 3.2Å; R796-D867 IonicContact NH2-OD1 2.76Å; R796-D867 PolarHBondContact NH2-OD1 2.75Å; R796-D867 IonicContact NH2-OD2 2.8Å; R796-D867 PolarHBondContact NH2-OD2 2.9Å; R796-D869 IonicContact CZ-OD2 3.86Å; R796-D869 IonicContact NH1-OD2 3.19Å; R796-D869 PolarHBondContact NH1-OD2 3.42Å; R796-D869 IonicContact NH2-OD2 3.93Å; R796-D869 PolarHBondContact NH2-OD2 3.17Å |
| 797 | S | 87.7 | Confident | 83.8 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 169.8 | -170 | 0 | 0 | 0 | 0 | 111.3 | I732 Y749 L793 T794 Y795 K800 K801 | I732-S797 WeakPolarHBondContact O-CB 3.26Å; I732-S797 PolarHBondContact O-OG 3.02Å; Y749-S797 VanDerWaalsContact OH-C 3.28Å; Y749-S797 PolarHBondContact OH-O 3.07Å; Y749-S797 PolarHBondContact OH-OG 3.05Å; L793-S797 VanDerWaalsContact O-CB 3.31Å; L793-S797 WeakPolarHBondContact O-CB 3.35Å; L793-S797 PolarHBondContact O-N 3.27Å; T794-S797 WeakPolarHBondContact O-CB 3.31Å; T794-S797 PolarHBondContact O-N 2.92Å; Y795-S797 VanDerWaalsContact C-N 3.34Å; Y795-S797 PolarHBondContact O-N 2.7Å; S797-K800 PolarHBondContact O-N 3.33Å; S797-K801 PolarHBondContact O-N 2.85Å |
| 798 | C | 88.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -49.6 | 179.5 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | Y749 T794 Y795 K800 K801 L802 L820 | Y749-C798 HydrophobicContact CD1-CB 4.07Å; Y749-C798 HydrophobicContact CD2-CB 3.85Å; Y749-C798 HydrophobicContact CE1-CB 4.04Å; Y749-C798 HydrophobicContact CE2-CB 3.82Å; Y749-C798 HydrophobicContact CG-CB 4Å; T794-C798 PolarHBondContact O-N 2.98Å; Y795-C798 WeakPolarHBondContact O-CB 3.05Å; Y795-C798 PolarHBondContact O-N 3.25Å; C798-K800 VanDerWaalsContact C-N 3.34Å; C798-K800 PolarHBondContact O-N 3.5Å; C798-K801 PolarHBondContact O-N 3.3Å; C798-L802 WeakPolarHBondContact O-CG 3.43Å; C798-L802 PolarHBondContact O-N 2.89Å; C798-L820 HydrophobicContact CB-CD2 3.66Å |
| 799 | I | 84.1 | Confident | 81 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 175.4 | -72.8 | -163 | 0 | 0 | 0 | 111.5 | Y795 K801 L802 N803 I817 D869 | Y795-I799 HydrophobicContact CD2-CD1 4.42Å; Y795-I799 HydrophobicContact CD2-CG1 4.49Å; Y795-I799 HydrophobicContact CE2-CD1 3.45Å; Y795-I799 VanDerWaalsContact CE2-CD1 3.45Å; Y795-I799 HydrophobicContact CE2-CG1 3.95Å; Y795-I799 PolarHBondContact O-N 3.14Å; Y795-I799 VanDerWaalsContact OH-CD1 3.24Å; Y795-I799 WeakPolarHBondContact OH-CD1 3.22Å; I799-K801 PolarHBondContact O-N 3.36Å; I799-L802 PolarHBondContact O-N 3.49Å; I799-N803 WeakPolarHBondContact O-CB 3.33Å; I799-N803 VanDerWaalsContact O-CG 3.24Å; I799-N803 PolarHBondContact O-N 2.83Å; I799-I817 HydrophobicContact CD1-CD1 3.77Å; I799-I817 HydrophobicContact CD1-CG1 4.18Å; I799-I817 HydrophobicContact CG1-CD1 3.81Å; I799-I817 HydrophobicContact CG1-CG1 3.94Å; I799-D869 HydrophobicContact CD1-CB 4.04Å |
| 800 | K | 83.7 | Confident | 79.8 | Confident | 88 Ų | 88 | 46.8 Ų | 46.8 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.3 | -41.6 | 176.9 | 179.9 | -171.2 | 173.9 | -174.3 | 0 | 111.3 | E733 R796 S797 C798 T804 | E733-K800 IonicContact OE1-NZ 3.95Å; E733-K800 PolarHBondContact OE1-NZ 3.47Å; R796-K800 WeakPolarHBondContact O-CB 3.12Å; R796-K800 PolarHBondContact O-N 3.08Å; R796-K800 VanDerWaalsContact O-N 3.11Å; S797-K800 PolarHBondContact O-N 3.33Å; C798-K800 VanDerWaalsContact C-N 3.34Å; C798-K800 PolarHBondContact O-N 3.5Å; K800-T804 PolarHBondContact O-N 3.12Å; K800-T804 PolarHBondContact O-OG1 3.33Å |
| 801 | K | 83.4 | Confident | 78.7 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.7 | -46.3 | -177.5 | -147.4 | 163.7 | -170 | 159.9 | 0 | 112.4 | T737 L745 Y749 S797 C798 I799 N803 T804 T805 | T737-K801 VanDerWaalsContact CB-NZ 3.34Å; T737-K801 WeakPolarHBondContact OG1-CE 3.42Å; T737-K801 PolarHBondContact OG1-NZ 2.82Å; L745-K801 HydrophobicContact CD1-CD 4.04Å; L745-K801 HydrophobicContact CD1-CG 4Å; Y749-K801 HydrophobicContact CE2-CD 4.2Å; Y749-K801 WeakPolarHBondContact OH-CD 3.27Å; S797-K801 PolarHBondContact O-N 2.85Å; C798-K801 PolarHBondContact O-N 3.3Å; I799-K801 PolarHBondContact O-N 3.36Å; K801-N803 VanDerWaalsContact C-N 3.25Å; K801-N803 PolarHBondContact O-N 3.33Å; K801-T804 WeakPolarHBondContact CA-OG1 3.48Å; K801-T804 PolarHBondContact O-N 2.83Å; K801-T804 PolarHBondContact O-OG1 3.36Å; K801-T805 PolarHBondContact O-N 2.9Å; K801-T805 PolarHBondContact O-OG1 2.83Å |
| 802 | L | 80.5 | Confident | 77.5 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55 | -41.1 | 173 | -72 | 171.8 | 0 | 0 | 0 | 111.7 | L745 C798 I799 T804 T805 R813 C816 I817 | L745-L802 HydrophobicContact CD2-CD2 4.17Å; C798-L802 WeakPolarHBondContact O-CG 3.43Å; C798-L802 PolarHBondContact O-N 2.89Å; I799-L802 PolarHBondContact O-N 3.49Å; L802-T804 VanDerWaalsContact C-N 3.32Å; L802-T804 PolarHBondContact O-N 3.44Å; L802-T805 PolarHBondContact O-N 2.91Å; L802-R813 HydrophobicContact CB-CG 4.2Å; L802-R813 PolarHBondContact O-NE 3.08Å; L802-C816 HydrophobicContact CD1-CB 3.89Å; L802-C816 HydrophobicContact CD2-CB 4.29Å; L802-I817 HydrophobicContact CD1-CG1 4.07Å |
| 803 | N | 75.8 | Confident | 76.6 | Confident | 96 Ų | 96 | 56.7 Ų | 56.7 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70 | -24.5 | 177.4 | -71.1 | -6.9 | 0 | 0 | 0 | 113.5 | I799 K801 | I799-N803 WeakPolarHBondContact O-CB 3.33Å; I799-N803 VanDerWaalsContact O-CG 3.24Å; I799-N803 PolarHBondContact O-N 2.83Å; K801-N803 VanDerWaalsContact C-N 3.25Å; K801-N803 PolarHBondContact O-N 3.33Å |
| 804 | T | 74.2 | Confident | 75.7 | Confident | 104 Ų | 104 | 57.5 Ų | 57.5 | 64% | 0.638 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -85.5 | -22 | 172.6 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | K800 K801 L802 S806 | K800-T804 PolarHBondContact O-N 3.12Å; K800-T804 PolarHBondContact O-OG1 3.33Å; K801-T804 WeakPolarHBondContact CA-OG1 3.48Å; K801-T804 PolarHBondContact O-N 2.83Å; K801-T804 PolarHBondContact O-OG1 3.36Å; L802-T804 VanDerWaalsContact C-N 3.32Å; L802-T804 PolarHBondContact O-N 3.44Å; T804-S806 PolarHBondContact O-N 2.88Å |
| 805 | T | 73.2 | Confident | 75 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | trans | -72.4 | 108.7 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | K801 L802 Q807 C808 R813 | K801-T805 PolarHBondContact O-N 2.9Å; K801-T805 PolarHBondContact O-OG1 2.83Å; L802-T805 PolarHBondContact O-N 2.91Å; T805-Q807 VanDerWaalsContact C-N 3.26Å; T805-Q807 PolarHBondContact O-N 3.4Å; T805-C808 HydrophobicContact CG2-CB 4.39Å; T805-R813 PolarHBondContact O-NH2 3.39Å | ||
| 806 | S | 55.5 | Low | 74.6 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 82% | 0.818 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -7.9 | -171.8 | 52.6 | 0 | 0 | 0 | 0 | 115.7 | T804 | T804-S806 PolarHBondContact O-N 2.88Š|
| 807 | Q | 56.7 | Low | 74.3 | Confident | 160 Ų | 160 | 62 Ų | 62 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -16.6 | -176.1 | -69.7 | 175.3 | -38.1 | 0 | 0 | 114.5 | T805 | T805-Q807 VanDerWaalsContact C-N 3.26Å; T805-Q807 PolarHBondContact O-N 3.4Å |
| 808 | C | 59.6 | Low | 74 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | trans | -82.8 | 133.7 | -171.3 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | T805 E812 R813 | T805-C808 HydrophobicContact CG2-CB 4.39Å; C808-E812 WeakPolarHBondContact CA-OE2 3.46Å; C808-E812 WeakPolarHBondContact SG-CB 3.36Å; C808-E812 PolarHBondContact SG-OE2 3.37Å; C808-R813 HydrophobicContact CB-CG 4.2Å; C808-R813 PolarHBondContact O-NH1 3.09Å; C808-R813 PolarHBondContact O-NH2 3.37Å; C808-R813 VanDerWaalsContact O-NH2 3.1Å | ||
| 809 | Q | 66.5 | Low | 73.9 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | trans | -74.2 | 160.9 | 177.6 | -56.1 | -167 | 19.9 | 0 | 0 | 111.6 | T811 E812 R813 | Q809-T811 VanDerWaalsContact C-N 3.35Å; Q809-T811 PolarHBondContact O-N 3.41Å; Q809-E812 HydrophobicContact CB-CB 4.4Å; Q809-E812 HydrophobicContact CB-CG 4.04Å; Q809-E812 PolarHBondContact N-OE2 3.49Å; Q809-E812 PolarHBondContact O-N 3.06Å; Q809-R813 WeakPolarHBondContact O-CG 3.31Å; Q809-R813 PolarHBondContact O-N 2.9Å | ||
| 810 | L | 66.2 | Low | 74.1 | Confident | 109 Ų | 109 | 66 Ų | 66 | 57% | 0.571 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.4 | -45.6 | -179.8 | -176.5 | 62 | 0 | 0 | 0 | 111.7 | E812 R813 E814 | L810-E812 VanDerWaalsContact C-N 3.34Å; L810-E812 PolarHBondContact O-N 3.43Å; L810-R813 PolarHBondContact O-N 3.35Å; L810-E814 WeakPolarHBondContact O-CB 3.31Å; L810-E814 WeakPolarHBondContact O-CG 3.44Å; L810-E814 PolarHBondContact O-N 3.11Å |
| 811 | T | 67.8 | Low | 74.4 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -34.9 | 177 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | Q809 E814 H815 | Q809-T811 VanDerWaalsContact C-N 3.35Å; Q809-T811 PolarHBondContact O-N 3.41Å; T811-E814 WeakPolarHBondContact O-CB 3.41Å; T811-H815 WeakPolarHBondContact O-CB 3.23Å; T811-H815 PolarHBondContact O-N 2.92Å |
| 812 | E | 70.4 | Confident | 74.6 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.9 | -47.3 | 174.9 | -68 | 169.3 | 174.4 | 0 | 0 | 111.1 | C808 Q809 L810 E814 H815 C816 | C808-E812 WeakPolarHBondContact CA-OE2 3.46Å; C808-E812 WeakPolarHBondContact SG-CB 3.36Å; C808-E812 PolarHBondContact SG-OE2 3.37Å; Q809-E812 HydrophobicContact CB-CB 4.4Å; Q809-E812 HydrophobicContact CB-CG 4.04Å; Q809-E812 PolarHBondContact N-OE2 3.49Å; Q809-E812 PolarHBondContact O-N 3.06Å; L810-E812 VanDerWaalsContact C-N 3.34Å; L810-E812 PolarHBondContact O-N 3.43Å; E812-E814 VanDerWaalsContact C-N 3.29Å; E812-E814 PolarHBondContact O-N 3.46Å; E812-H815 PolarHBondContact O-N 3.37Å; E812-C816 WeakPolarHBondContact O-CB 3.35Å; E812-C816 PolarHBondContact O-N 2.7Å; E812-C816 PolarHBondContact O-SG 3.16Å; E812-C816 VanDerWaalsContact O-SG 3.34Å |
| 813 | R | 72.6 | Confident | 75.1 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 18% | 0.177 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 174.3 | -67.1 | -171.4 | -176.6 | 91.8 | 5.1 | 111.1 | L802 T805 C808 Q809 L810 C816 I817 | L802-R813 HydrophobicContact CB-CG 4.2Å; L802-R813 PolarHBondContact O-NE 3.08Å; T805-R813 PolarHBondContact O-NH2 3.39Å; C808-R813 HydrophobicContact CB-CG 4.2Å; C808-R813 PolarHBondContact O-NH1 3.09Å; C808-R813 PolarHBondContact O-NH2 3.37Å; C808-R813 VanDerWaalsContact O-NH2 3.1Å; Q809-R813 WeakPolarHBondContact O-CG 3.31Å; Q809-R813 PolarHBondContact O-N 2.9Å; L810-R813 PolarHBondContact O-N 3.35Å; R813-C816 WeakPolarHBondContact O-CB 3.35Å; R813-C816 PolarHBondContact O-N 3.29Å; R813-I817 WeakPolarHBondContact O-CD1 3.3Å; R813-I817 VanDerWaalsContact O-CG1 3.27Å; R813-I817 WeakPolarHBondContact O-CG1 3.24Å; R813-I817 PolarHBondContact O-N 2.65Å |
| 814 | E | 71.1 | Confident | 75.9 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56 | -50.8 | 173.8 | -88.6 | -171 | 136.2 | 0 | 0 | 112 | L810 T811 E812 C816 I817 S818 I889 Q890 I893 | L810-E814 WeakPolarHBondContact O-CB 3.31Å; L810-E814 WeakPolarHBondContact O-CG 3.44Å; L810-E814 PolarHBondContact O-N 3.11Å; T811-E814 WeakPolarHBondContact O-CB 3.41Å; E812-E814 VanDerWaalsContact C-N 3.29Å; E812-E814 PolarHBondContact O-N 3.46Å; E814-C816 PolarHBondContact O-N 3.08Å; E814-I817 PolarHBondContact O-N 3.43Å; E814-S818 PolarHBondContact O-N 2.92Å; E814-I889 WeakPolarHBondContact OE1-CB 3.21Å; E814-Q890 WeakPolarHBondContact OE1-CA 3.31Å; E814-Q890 PolarHBondContact OE1-N 3.48Å; E814-Q890 VanDerWaalsContact OE1-N 3.16Å; E814-I893 HydrophobicContact CB-CD1 3.42Å; E814-I893 VanDerWaalsContact CB-CD1 3.42Å; E814-I893 VanDerWaalsContact CD-CD1 3.49Å; E814-I893 HydrophobicContact CG-CD1 3.48Å; E814-I893 VanDerWaalsContact CG-CD1 3.48Å; E814-I893 WeakPolarHBondContact OE1-CD1 3.49Å |
| 815 | H | 78.6 | Confident | 76.7 | Confident | 108 Ų | 108 | 53.8 Ų | 53.8 | 50% | 0.5 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.2 | -176.5 | -91.5 | 0 | 0 | 0 | 112.3 | T811 E812 I817 S818 H819 | T811-H815 WeakPolarHBondContact O-CB 3.23Å; T811-H815 PolarHBondContact O-N 2.92Å; E812-H815 PolarHBondContact O-N 3.37Å; H815-I817 PolarHBondContact O-N 2.86Å; H815-S818 WeakPolarHBondContact O-CB 3.34Å; H815-S818 PolarHBondContact O-N 2.98Å; H815-H819 WeakPolarHBondContact O-CB 3.42Å; H815-H819 PolarHBondContact O-N 3.44Å |
| 816 | C | 82.7 | Confident | 77.6 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 174.9 | -72.7 | 0 | 0 | 0 | 0 | 112.7 | M746 L802 E812 R813 E814 H819 L820 | M746-C816 HydrophobicContact CE-CB 4.21Å; M746-C816 VanDerWaalsContact CE-O 3.3Å; M746-C816 WeakPolarHBondContact CE-O 3.38Å; M746-C816 HydrophobicContact CG-CB 4.3Å; M746-C816 HydrophobicContact SD-CB 3.64Å; L802-C816 HydrophobicContact CD1-CB 3.89Å; L802-C816 HydrophobicContact CD2-CB 4.29Å; E812-C816 WeakPolarHBondContact O-CB 3.35Å; E812-C816 PolarHBondContact O-N 2.7Å; E812-C816 PolarHBondContact O-SG 3.16Å; E812-C816 VanDerWaalsContact O-SG 3.34Å; R813-C816 WeakPolarHBondContact O-CB 3.35Å; R813-C816 PolarHBondContact O-N 3.29Å; E814-C816 PolarHBondContact O-N 3.08Å; C816-H819 PolarHBondContact O-N 3.05Å; C816-L820 WeakPolarHBondContact O-CB 3.38Å; C816-L820 PolarHBondContact O-N 2.93Å |
| 817 | I | 83 | Confident | 79.3 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69 | -40.5 | 177.6 | -67 | 162 | 0 | 0 | 0 | 111 | Y795 I799 L802 R813 E814 H815 L820 T821 L870 | Y795-I817 HydrophobicContact CE2-CG2 4.36Å; I799-I817 HydrophobicContact CD1-CD1 3.77Å; I799-I817 HydrophobicContact CD1-CG1 4.18Å; I799-I817 HydrophobicContact CG1-CD1 3.81Å; I799-I817 HydrophobicContact CG1-CG1 3.94Å; L802-I817 HydrophobicContact CD1-CG1 4.07Å; R813-I817 WeakPolarHBondContact O-CD1 3.3Å; R813-I817 VanDerWaalsContact O-CG1 3.27Å; R813-I817 WeakPolarHBondContact O-CG1 3.24Å; R813-I817 PolarHBondContact O-N 2.65Å; E814-I817 PolarHBondContact O-N 3.43Å; H815-I817 PolarHBondContact O-N 2.86Å; I817-L820 PolarHBondContact O-N 3.31Å; I817-T821 WeakPolarHBondContact O-CB 3.27Å; I817-T821 WeakPolarHBondContact O-CG2 3.26Å; I817-T821 PolarHBondContact O-N 3.29Å; I817-T821 PolarHBondContact O-OG1 3.01Å; I817-L870 HydrophobicContact CG2-CD2 3.89Å |
| 818 | S | 81.2 | Confident | 80.9 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -51.8 | 171.4 | -170.4 | 0 | 0 | 0 | 0 | 111 | E814 H815 L820 T821 N822 I893 | E814-S818 PolarHBondContact O-N 2.92Å; H815-S818 WeakPolarHBondContact O-CB 3.34Å; H815-S818 PolarHBondContact O-N 2.98Å; S818-L820 PolarHBondContact O-N 3.12Å; S818-T821 PolarHBondContact O-N 3.09Å; S818-T821 PolarHBondContact O-OG1 3.4Å; S818-N822 VanDerWaalsContact O-CB 3.26Å; S818-N822 WeakPolarHBondContact O-CB 3.4Å; S818-N822 VanDerWaalsContact O-CG 3.31Å; S818-N822 PolarHBondContact O-N 3.42Å; S818-N822 PolarHBondContact O-ND2 3.38Å; S818-N822 PolarHBondContact OG-ND2 2.72Å; S818-N822 VanDerWaalsContact OG-ND2 3.08Å; S818-I893 WeakPolarHBondContact CB-O 3.29Å; S818-I893 PolarHBondContact OG-O 2.86Å |
| 819 | H | 84.3 | Confident | 82.3 | Confident | 74 Ų | 74 | 45.6 Ų | 45.6 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.2 | -47.7 | -179.4 | -169.4 | -85.6 | 0 | 0 | 0 | 111.6 | M746 H815 C816 T821 Y823 | M746-H819 HydrophobicContact CE-CB 4.25Å; H815-H819 WeakPolarHBondContact O-CB 3.42Å; H815-H819 PolarHBondContact O-N 3.44Å; C816-H819 PolarHBondContact O-N 3.05Å; H819-T821 PolarHBondContact O-N 2.89Å; H819-Y823 WeakPolarHBondContact O-CB 3.36Å; H819-Y823 PolarHBondContact O-N 2.85Å |
| 820 | L | 88.5 | Confident | 83.3 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | -179.1 | -163 | 74.4 | 0 | 0 | 0 | 112.6 | M746 I753 C798 C816 I817 S818 Y823 M824 | M746-L820 HydrophobicContact CE-CB 4.14Å; M746-L820 HydrophobicContact CE-CD1 4.22Å; I753-L820 HydrophobicContact CD1-CD1 3.6Å; I753-L820 HydrophobicContact CD1-CG 4.16Å; C798-L820 HydrophobicContact CB-CD2 3.66Å; C816-L820 WeakPolarHBondContact O-CB 3.38Å; C816-L820 PolarHBondContact O-N 2.93Å; I817-L820 PolarHBondContact O-N 3.31Å; S818-L820 PolarHBondContact O-N 3.12Å; L820-Y823 PolarHBondContact O-N 2.99Å; L820-M824 HydrophobicContact CD2-CE 4.11Å; L820-M824 HydrophobicContact CG-CE 4.12Å; L820-M824 WeakPolarHBondContact O-CG 3.15Å; L820-M824 PolarHBondContact O-N 3.41Å |
| 821 | T | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.6 | -40.5 | -177.2 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | Y795 I817 S818 H819 Y823 M824 A825 F864 L870 C894 A897 | Y795-T821 HydrophobicContact CD2-CG2 4.1Å; Y795-T821 HydrophobicContact CE2-CG2 4.41Å; I817-T821 WeakPolarHBondContact O-CB 3.27Å; I817-T821 WeakPolarHBondContact O-CG2 3.26Å; I817-T821 PolarHBondContact O-N 3.29Å; I817-T821 PolarHBondContact O-OG1 3.01Å; S818-T821 PolarHBondContact O-N 3.09Å; S818-T821 PolarHBondContact O-OG1 3.4Å; H819-T821 PolarHBondContact O-N 2.89Å; T821-Y823 VanDerWaalsContact C-N 3.34Å; T821-M824 PolarHBondContact O-N 3.17Å; T821-A825 WeakPolarHBondContact O-CB 3.22Å; T821-A825 PolarHBondContact O-N 3.15Å; T821-F864 HydrophobicContact CG2-CE1 4.46Å; T821-F864 HydrophobicContact CG2-CE2 4.29Å; T821-F864 HydrophobicContact CG2-CZ 4.11Å; T821-L870 HydrophobicContact CG2-CD2 4.31Å; T821-C894 PolarHBondContact OG1-SG 3.44Å; T821-A897 WeakPolarHBondContact O-CB 3.43Å |
| 822 | N | 87.6 | Confident | 85 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 172.1 | -72.1 | -40.4 | 0 | 0 | 0 | 111.1 | S818 A825 N826 A897 | S818-N822 VanDerWaalsContact O-CB 3.26Å; S818-N822 WeakPolarHBondContact O-CB 3.4Å; S818-N822 VanDerWaalsContact O-CG 3.31Å; S818-N822 PolarHBondContact O-N 3.42Å; S818-N822 PolarHBondContact O-ND2 3.38Å; S818-N822 PolarHBondContact OG-ND2 2.72Å; S818-N822 VanDerWaalsContact OG-ND2 3.08Å; N822-A825 PolarHBondContact O-N 2.77Å; N822-N826 WeakPolarHBondContact O-CB 3.36Å; N822-N826 PolarHBondContact O-N 3.01Å; N822-N826 PolarHBondContact O-ND2 3.17Å; N822-A897 WeakPolarHBondContact OD1-CB 3.03Å; N822-A897 PolarHBondContact OD1-N 3.48Å |
| 823 | Y | 91.8 | Very high | 85.1 | Confident | 48 Ų | 48 | 32.9 Ų | 32.9 | 19% | 0.188 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 175.8 | -173.9 | -91.6 | 0 | 0 | 0 | 111.7 | I750 I753 D754 H819 L820 T821 A825 N826 R827 | I750-Y823 HydrophobicContact CB-CE1 4.48Å; I750-Y823 HydrophobicContact CG1-CD1 4.43Å; I750-Y823 HydrophobicContact CG2-CD1 4.45Å; I750-Y823 HydrophobicContact CG2-CE1 3.81Å; I750-Y823 HydrophobicContact CG2-CE2 4.13Å; I753-Y823 HydrophobicContact CB-CD1 4.47Å; I753-Y823 HydrophobicContact CB-CE1 4.24Å; I753-Y823 HydrophobicContact CD1-CD1 3.99Å; I753-Y823 HydrophobicContact CG2-CD1 4.15Å; I753-Y823 HydrophobicContact CG2-CE1 3.98Å; D754-Y823 PolarHBondContact OD1-OH 3.26Å; D754-Y823 PolarHBondContact OD2-OH 2.95Å; H819-Y823 WeakPolarHBondContact O-CB 3.36Å; H819-Y823 PolarHBondContact O-N 2.85Å; L820-Y823 PolarHBondContact O-N 2.99Å; T821-Y823 VanDerWaalsContact C-N 3.34Å; Y823-A825 VanDerWaalsContact C-N 3.33Å; Y823-A825 PolarHBondContact O-N 2.76Å; Y823-N826 PolarHBondContact O-N 2.9Å; Y823-R827 HydrophobicContact CD1-CG 3.92Å; Y823-R827 HydrophobicContact CD2-CG 4.37Å; Y823-R827 HydrophobicContact CE1-CG 3.5Å; Y823-R827 VanDerWaalsContact CE1-CG 3.5Å; Y823-R827 HydrophobicContact CE2-CG 4Å; Y823-R827 HydrophobicContact CG-CG 4.32Å; Y823-R827 WeakPolarHBondContact O-CB 3.17Å; Y823-R827 VanDerWaalsContact O-CG 3.29Å; Y823-R827 WeakPolarHBondContact O-CG 2.72Å; Y823-R827 PolarHBondContact O-N 2.87Å; Y823-R827 PolarHBondContact OH-NE 3.44Å |
| 824 | M | 93.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55 | -46.5 | 173 | -73.9 | -178.5 | -179.2 | 0 | 0 | 112.1 | I753 L791 T794 L820 T821 I828 F864 | I753-M824 HydrophobicContact CD1-CE 3.64Å; I753-M824 HydrophobicContact CD1-CG 3.58Å; I753-M824 HydrophobicContact CD1-SD 4.49Å; I753-M824 HydrophobicContact CG1-CE 3.85Å; I753-M824 HydrophobicContact CG1-CG 4.09Å; I753-M824 HydrophobicContact CG2-CG 4.38Å; L791-M824 HydrophobicContact CB-CE 4.37Å; L791-M824 HydrophobicContact CB-SD 4.08Å; L791-M824 HydrophobicContact CD2-CE 4.39Å; L791-M824 HydrophobicContact CD2-CG 4.41Å; L791-M824 VanDerWaalsContact O-CE 3.27Å; L791-M824 WeakPolarHBondContact O-CE 3.28Å; T794-M824 HydrophobicContact CG2-CE 3.99Å; L820-M824 HydrophobicContact CD2-CE 4.11Å; L820-M824 HydrophobicContact CG-CE 4.12Å; L820-M824 WeakPolarHBondContact O-CG 3.15Å; L820-M824 PolarHBondContact O-N 3.41Å; T821-M824 PolarHBondContact O-N 3.17Å; M824-I828 WeakPolarHBondContact O-CB 3.44Å; M824-I828 WeakPolarHBondContact O-CD1 3.28Å; M824-I828 VanDerWaalsContact O-CG1 3.24Å; M824-I828 WeakPolarHBondContact O-CG1 3.4Å; M824-I828 PolarHBondContact O-N 2.82Å; M824-F864 HydrophobicContact SD-CZ 3.92Å |
| 825 | A | 90.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T821 N822 Y823 I828 Y829 A897 L900 L901 | T821-A825 WeakPolarHBondContact O-CB 3.22Å; T821-A825 PolarHBondContact O-N 3.15Å; N822-A825 PolarHBondContact O-N 2.77Å; Y823-A825 VanDerWaalsContact C-N 3.33Å; Y823-A825 PolarHBondContact O-N 2.76Å; A825-I828 PolarHBondContact O-N 3.3Å; A825-Y829 PolarHBondContact O-N 3.41Å; A825-A897 HydrophobicContact CB-CB 3.94Å; A825-L900 HydrophobicContact CB-CB 4.26Å; A825-L900 HydrophobicContact CB-CD2 4.17Å; A825-L900 HydrophobicContact CB-CG 4.4Å; A825-L901 HydrophobicContact CB-CD2 4.41Å; A825-L901 HydrophobicContact CB-CG 3.97Å |
| 826 | N | 91 | Very high | 82.6 | Confident | 73 Ų | 73 | 34.5 Ų | 34.5 | 39% | 0.39 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 176.7 | -79.9 | -72.5 | 0 | 0 | 0 | 111.7 | N822 Y823 I828 Y829 E830 L900 | N822-N826 WeakPolarHBondContact O-CB 3.36Å; N822-N826 PolarHBondContact O-N 3.01Å; N822-N826 PolarHBondContact O-ND2 3.17Å; Y823-N826 PolarHBondContact O-N 2.9Å; N826-I828 VanDerWaalsContact C-N 3.29Å; N826-I828 PolarHBondContact O-N 2.84Å; N826-Y829 PolarHBondContact O-N 3.12Å; N826-Y829 VanDerWaalsContact O-N 3.11Å; N826-E830 WeakPolarHBondContact O-CG 3.25Å; N826-E830 PolarHBondContact O-N 3.47Å; N826-L900 HydrophobicContact CB-CD2 4.27Å; N826-L900 WeakPolarHBondContact OD1-CD2 3.21Å |
| 827 | R | 90.9 | Very high | 81 | Confident | 47 Ų | 47 | 42 Ų | 42 | 18% | 0.177 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -29 | -178.7 | -61.3 | -68.7 | -70.6 | 118.1 | 5.7 | 112.7 | D754 L757 Y823 E830 S831 | D754-R827 IonicContact OD1-CZ 3.94Å; D754-R827 IonicContact OD1-NE 3.45Å; D754-R827 PolarHBondContact OD1-NE 2.61Å; D754-R827 IonicContact OD1-NH2 2.95Å; D754-R827 PolarHBondContact OD1-NH2 2.96Å; L757-R827 HydrophobicContact CD1-CB 3.49Å; L757-R827 VanDerWaalsContact CD1-CB 3.49Å; L757-R827 HydrophobicContact CD1-CG 4.5Å; Y823-R827 HydrophobicContact CD1-CG 3.92Å; Y823-R827 HydrophobicContact CD2-CG 4.37Å; Y823-R827 HydrophobicContact CE1-CG 3.5Å; Y823-R827 VanDerWaalsContact CE1-CG 3.5Å; Y823-R827 HydrophobicContact CE2-CG 4Å; Y823-R827 HydrophobicContact CG-CG 4.32Å; Y823-R827 WeakPolarHBondContact O-CB 3.17Å; Y823-R827 VanDerWaalsContact O-CG 3.29Å; Y823-R827 WeakPolarHBondContact O-CG 2.72Å; Y823-R827 PolarHBondContact O-N 2.87Å; Y823-R827 PolarHBondContact OH-NE 3.44Å; R827-E830 WeakPolarHBondContact CD-OE2 3.37Å; R827-E830 IonicContact CZ-OE2 3.24Å; R827-E830 IonicContact NE-OE2 2.77Å; R827-E830 IonicContact NH1-OE2 2.7Å; R827-E830 PolarHBondContact NH1-OE2 2.88Å; R827-S831 WeakPolarHBondContact O-CB 3.27Å; R827-S831 PolarHBondContact O-N 3.11Å; R827-S831 PolarHBondContact O-OG 2.84Å |
| 828 | I | 90.6 | Very high | 79.1 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -50.6 | 168.1 | -76.1 | 167.4 | 0 | 0 | 0 | 110.7 | L791 M824 A825 N826 E830 S831 V832 W853 L860 L901 T904 | L791-I828 HydrophobicContact CD1-CD1 3.7Å; L791-I828 HydrophobicContact CD1-CG1 4.14Å; M824-I828 WeakPolarHBondContact O-CB 3.44Å; M824-I828 WeakPolarHBondContact O-CD1 3.28Å; M824-I828 VanDerWaalsContact O-CG1 3.24Å; M824-I828 WeakPolarHBondContact O-CG1 3.4Å; M824-I828 PolarHBondContact O-N 2.82Å; A825-I828 PolarHBondContact O-N 3.3Å; N826-I828 VanDerWaalsContact C-N 3.29Å; N826-I828 PolarHBondContact O-N 2.84Å; I828-E830 PolarHBondContact O-N 3.18Å; I828-S831 PolarHBondContact O-N 2.8Å; I828-V832 PolarHBondContact O-N 3.3Å; I828-W853 HydrophobicContact CB-CZ3 4.43Å; I828-W853 HydrophobicContact CG1-CZ3 4.29Å; I828-W853 HydrophobicContact CG2-CE3 4.19Å; I828-W853 HydrophobicContact CG2-CZ3 4.01Å; I828-L860 HydrophobicContact CD1-CD2 3.4Å; I828-L860 VanDerWaalsContact CD1-CD2 3.4Å; I828-L901 HydrophobicContact CD1-CD2 3.9Å; I828-L901 HydrophobicContact CG2-CD2 4.16Å; I828-T904 HydrophobicContact CG2-CG2 3.91Å |
| 829 | Y | 90.3 | Very high | 77.3 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | -179.5 | -173.3 | -101.5 | 0 | 0 | 0 | 111.9 | Y458 A825 N826 S831 V832 L900 E903 H907 | Y458-Y829 HydrophobicContact CD2-CD1 4.28Å; Y458-Y829 AromaticContact CD2-CE1 3.66Å; Y458-Y829 HydrophobicContact CD2-CE1 3.66Å; Y458-Y829 AromaticContact CE2-CE1 3.9Å; Y458-Y829 HydrophobicContact CE2-CE1 3.9Å; A825-Y829 PolarHBondContact O-N 3.41Å; N826-Y829 PolarHBondContact O-N 3.12Å; N826-Y829 VanDerWaalsContact O-N 3.11Å; Y829-S831 PolarHBondContact O-N 2.64Å; Y829-V832 PolarHBondContact O-N 3.2Å; Y829-L900 HydrophobicContact CD1-CD1 4.22Å; Y829-L900 HydrophobicContact CD2-CD1 4.02Å; Y829-L900 HydrophobicContact CG-CD1 3.86Å; Y829-E903 HydrophobicContact CE2-CG 4.43Å; Y829-H907 HydrophobicContact CE2-CB 4.42Å; Y829-H907 AromaticContact CE2-ND1 3.83Å; Y829-H907 AromaticContact CZ-ND1 3.91Å; Y829-H907 PolarHBondContact OH-ND1 2.85Å |
| 830 | E | 87.5 | Confident | 75.6 | Confident | 63 Ų | 63 | 55 Ų | 55 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -24.4 | 172.1 | -73.1 | -175.4 | 161.6 | 0 | 0 | 114 | R456 N826 R827 I828 | R456-E830 IonicContact NH1-OE1 3.23Å; R456-E830 IonicContact NH1-OE2 3.07Å; R456-E830 PolarHBondContact NH1-OE2 2.98Å; N826-E830 WeakPolarHBondContact O-CG 3.25Å; N826-E830 PolarHBondContact O-N 3.47Å; R827-E830 WeakPolarHBondContact CD-OE2 3.37Å; R827-E830 IonicContact CZ-OE2 3.24Å; R827-E830 IonicContact NE-OE2 2.77Å; R827-E830 IonicContact NH1-OE2 2.7Å; R827-E830 PolarHBondContact NH1-OE2 2.88Å; I828-E830 PolarHBondContact O-N 3.18Å |
| 831 | S | 85.7 | Confident | 74.2 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -91.2 | -10 | -178.2 | -60 | 0 | 0 | 0 | 0 | 113.6 | R827 I828 Y829 W853 | R827-S831 WeakPolarHBondContact O-CB 3.27Å; R827-S831 PolarHBondContact O-N 3.11Å; R827-S831 PolarHBondContact O-OG 2.84Å; I828-S831 PolarHBondContact O-N 2.8Å; Y829-S831 PolarHBondContact O-N 2.64Å; S831-W853 VanDerWaalsContact CB-CH2 3.45Å; S831-W853 PolarHBondContact O-NE1 2.92Å |
| 832 | V | 84 | Confident | 73.3 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -69.3 | 132.7 | 168.5 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | I828 Y829 N834 W853 T904 | I828-V832 PolarHBondContact O-N 3.3Å; Y829-V832 PolarHBondContact O-N 3.2Å; V832-N834 PolarHBondContact O-N 3.14Å; V832-N834 PolarHBondContact O-OD1 3.14Å; V832-W853 HydrophobicContact CG2-CB 4.21Å; V832-W853 HydrophobicContact CG2-CD2 4.2Å; V832-W853 HydrophobicContact CG2-CE3 4.5Å; V832-W853 HydrophobicContact CG2-CG 4.05Å; V832-T904 HydrophobicContact CG2-CG2 3.76Å |
| 833 | P | 71.7 | Confident | 72.5 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 121 | -178.4 | -19.7 | 32.6 | 0 | 0 | 0 | 112.5 | F835 P849 | P833-F835 HydrophobicContact CB-CE1 3.99Å; P833-F835 HydrophobicContact CB-CE2 4.26Å; P833-F835 HydrophobicContact CB-CZ 3.6Å; P833-F835 HydrophobicContact CG-CZ 4.41Å; P833-F835 VanDerWaalsContact O-CD2 3.31Å; P833-F835 WeakPolarHBondContact O-CD2 3.18Å; P833-F835 WeakPolarHBondContact O-CE2 3.21Å; P833-P849 HydrophobicContact CG-CB 4.16Å |
| 834 | N | 60.7 | Low | 71.8 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 117.3 | -176 | -63.5 | -15.5 | 0 | 0 | 0 | 112.2 | A457 Y458 V832 N836 | A457-N834 WeakPolarHBondContact CB-ND2 3.28Å; Y458-N834 WeakPolarHBondContact CD2-ND2 3.41Å; Y458-N834 HydrophobicContact CE2-CB 4.33Å; Y458-N834 WeakPolarHBondContact CE2-ND2 3.44Å; Y458-N834 WeakPolarHBondContact CE2-OD1 3.32Å; Y458-N834 VanDerWaalsContact CZ-CG 3.47Å; V832-N834 PolarHBondContact O-N 3.14Å; V832-N834 PolarHBondContact O-OD1 3.14Å; N834-N836 PolarHBondContact O-N 3.29Å |
| 835 | F | 56.8 | Low | 71.2 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | trans | -98.2 | 97.6 | -175.6 | -59.9 | -58.1 | 0 | 0 | 0 | 114 | P833 L846 L850 Y911 I915 | P833-F835 HydrophobicContact CB-CE1 3.99Å; P833-F835 HydrophobicContact CB-CE2 4.26Å; P833-F835 HydrophobicContact CB-CZ 3.6Å; P833-F835 HydrophobicContact CG-CZ 4.41Å; P833-F835 VanDerWaalsContact O-CD2 3.31Å; P833-F835 WeakPolarHBondContact O-CD2 3.18Å; P833-F835 WeakPolarHBondContact O-CE2 3.21Å; F835-L846 HydrophobicContact CD1-CD1 3.68Å; F835-L846 HydrophobicContact CD1-CD2 4.43Å; F835-L846 HydrophobicContact CE1-CB 4.27Å; F835-L846 HydrophobicContact CE1-CD1 3.35Å; F835-L846 HydrophobicContact CE1-CD2 3.4Å; F835-L846 HydrophobicContact CE1-CG 3.8Å; F835-L846 HydrophobicContact CE2-CB 4.31Å; F835-L846 HydrophobicContact CE2-CD1 4.22Å; F835-L846 HydrophobicContact CG-CD1 4.27Å; F835-L846 HydrophobicContact CZ-CB 3.74Å; F835-L846 HydrophobicContact CZ-CD1 3.63Å; F835-L846 HydrophobicContact CZ-CD2 3.62Å; F835-L846 HydrophobicContact CZ-CG 3.82Å; F835-L850 HydrophobicContact CE2-CD1 3.91Å; F835-L850 HydrophobicContact CE2-CD2 4.2Å; F835-L850 HydrophobicContact CE2-CG 4.17Å; F835-Y911 HydrophobicContact CB-CD1 3.9Å; F835-Y911 HydrophobicContact CB-CE1 3.66Å; F835-Y911 AromaticContact CD2-CD1 3.8Å; F835-Y911 HydrophobicContact CD2-CD1 3.8Å; F835-Y911 HydrophobicContact CD2-CE1 4.33Å; F835-Y911 HydrophobicContact CD2-CG 4.11Å; F835-Y911 HydrophobicContact CG-CD1 4.33Å; F835-I915 HydrophobicContact CD2-CD1 4.18Å; F835-I915 HydrophobicContact CE2-CD1 4.19Å | ||
| 836 | N | 51.1 | Low | 70.9 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 65% | 0.647 | 32% | 0.318 | S | S | * | . | trans | -75.3 | 127.1 | 155.9 | -170.8 | -15.6 | 0 | 0 | 0 | 109 | N834 N838 | N834-N836 PolarHBondContact O-N 3.29Å; N836-N838 PolarHBondContact O-N 2.91Å | ||
| 837 | R | 49.6 | Very low | 70.8 | Confident | 182 Ų | 182 | 57.6 Ų | 57.6 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -0.2 | -172.9 | -68.7 | -177.3 | 178.3 | 164.1 | 0.3 | 114.5 | E2405 | R837-E2405 IonicContact CZ-OE1 3.03Å; R837-E2405 IonicContact NH1-OE1 2.68Å; R837-E2405 PolarHBondContact NH1-OE1 3.21Å; R837-E2405 IonicContact NH1-OE2 2.74Å; R837-E2405 IonicContact NH2-OE1 2.74Å; R837-E2405 PolarHBondContact NH2-OE1 2.99Å; R837-E2405 IonicContact NH2-OE2 3.31Å |
| 838 | N | 42.8 | Very low | 70.6 | Confident | 138 Ų | 138 | 57.8 Ų | 57.8 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 12.4 | -167.9 | -64.8 | -4.6 | 0 | 0 | 0 | 115.8 | N836 | N836-N838 PolarHBondContact O-N 2.91Š|
| 839 | S | 44.3 | Very low | 70.6 | Confident | 72 Ų | 72 | 58 Ų | 58 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | trans | -92 | 138.1 | 173.7 | 79.4 | 0 | 0 | 0 | 0 | 111.5 | S841 | S839-S841 PolarHBondContact O-N 3.04Å; S839-S841 PolarHBondContact OG-OG 3.5Å | ||
| 840 | N | 48.9 | Very low | 70.6 | Confident | 182 Ų | 182 | 56 Ų | 56 | 97% | 0.973 | 30% | 0.295 | S | S | * | . | trans | -73.2 | 28.4 | 175.1 | -72.5 | -16.3 | 0 | 0 | 0 | 113.3 | ||||
| 841 | S | 59.1 | Low | 70.9 | Confident | 60 Ų | 60 | 53 Ų | 53 | 42% | 0.42 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -86.7 | 143.4 | 176.7 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | S839 P843 | S839-S841 PolarHBondContact O-N 3.04Å; S839-S841 PolarHBondContact OG-OG 3.5Å; S841-P843 WeakPolarHBondContact O-CD 3.09Å |
| 842 | N | 70.4 | Confident | 71.2 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | trans | -72.4 | 115.2 | -178.3 | -176.9 | -20 | 0 | 0 | 0 | 109.8 | S844 L845 S949 W952 | N842-S844 PolarHBondContact O-N 2.84Å; N842-S844 WeakPolarHBondContact OD1-CB 3.2Å; N842-S844 PolarHBondContact OD1-N 2.97Å; N842-S844 PolarHBondContact OD1-OG 3.37Å; N842-L845 HydrophobicContact CB-CD1 4.19Å; N842-L845 HydrophobicContact CB-CG 4.34Å; N842-L845 WeakPolarHBondContact O-CB 3.37Å; N842-L845 PolarHBondContact O-N 2.88Å; N842-L845 VanDerWaalsContact O-N 3.13Å; N842-S949 PolarHBondContact ND2-O 3.47Å; N842-W952 VanDerWaalsContact CG-CD1 3.5Å; N842-W952 WeakPolarHBondContact ND2-CB 3.19Å; N842-W952 VanDerWaalsContact OD1-CG 3.3Å | ||
| 843 | P | 71.6 | Confident | 71.7 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 14% | 0.143 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -66.7 | -17.1 | -168.6 | 26.9 | -35.5 | 0 | 0 | 0 | 113.7 | S841 L845 L846 I915 I919 W952 | S841-P843 WeakPolarHBondContact O-CD 3.09Å; P843-L845 VanDerWaalsContact C-N 3.29Å; P843-L845 PolarHBondContact O-N 2.88Å; P843-L846 HydrophobicContact CB-CD1 4.27Å; P843-L846 VanDerWaalsContact O-CB 3.31Å; P843-L846 WeakPolarHBondContact O-CB 3.08Å; P843-L846 VanDerWaalsContact O-CG 3.29Å; P843-L846 WeakPolarHBondContact O-CG 3.14Å; P843-L846 PolarHBondContact O-N 2.84Å; P843-I915 HydrophobicContact CB-CG2 4.32Å; P843-I915 VanDerWaalsContact O-CG2 3.3Å; P843-I915 WeakPolarHBondContact O-CG2 3.43Å; P843-I919 HydrophobicContact CG-CG1 4.41Å; P843-W952 HydrophobicContact CG-CD2 4.31Å; P843-W952 HydrophobicContact CG-CE3 4.08Å; P843-W952 HydrophobicContact CG-CH2 3.62Å; P843-W952 HydrophobicContact CG-CZ2 3.84Å; P843-W952 HydrophobicContact CG-CZ3 3.74Å |
| 844 | S | 76.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -59.2 | -34.7 | 172.8 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | N842 L846 I847 S949 | N842-S844 PolarHBondContact O-N 2.84Å; N842-S844 WeakPolarHBondContact OD1-CB 3.2Å; N842-S844 PolarHBondContact OD1-N 2.97Å; N842-S844 PolarHBondContact OD1-OG 3.37Å; S844-L846 PolarHBondContact O-N 2.71Å; S844-L846 VanDerWaalsContact O-N 3.09Å; S844-I847 WeakPolarHBondContact O-CG1 3.34Å; S844-I847 PolarHBondContact O-N 3.09Å; S844-S949 VanDerWaalsContact CB-N 3.34Å; S844-S949 WeakPolarHBondContact OG-CA 3.19Å; S844-S949 VanDerWaalsContact OG-CB 3.29Å; S844-S949 WeakPolarHBondContact OG-CB 3.29Å; S844-S949 PolarHBondContact OG-N 3.35Å |
| 845 | L | 80.5 | Confident | 74.3 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -63.3 | -19.6 | -177.4 | -62.4 | 174.4 | 0 | 0 | 0 | 112.6 | N842 P843 P849 | N842-L845 HydrophobicContact CB-CD1 4.19Å; N842-L845 HydrophobicContact CB-CG 4.34Å; N842-L845 WeakPolarHBondContact O-CB 3.37Å; N842-L845 PolarHBondContact O-N 2.88Å; N842-L845 VanDerWaalsContact O-N 3.13Å; P843-L845 VanDerWaalsContact C-N 3.29Å; P843-L845 PolarHBondContact O-N 2.88Å; L845-P849 WeakPolarHBondContact O-CD 3.09Å |
| 846 | L | 84.7 | Confident | 76 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -84.3 | -18.9 | -172.9 | -46.6 | 178.4 | 0 | 0 | 0 | 112.6 | F835 P843 S844 K848 P849 L850 I915 | F835-L846 HydrophobicContact CD1-CD1 3.68Å; F835-L846 HydrophobicContact CD1-CD2 4.43Å; F835-L846 HydrophobicContact CE1-CB 4.27Å; F835-L846 HydrophobicContact CE1-CD1 3.35Å; F835-L846 HydrophobicContact CE1-CD2 3.4Å; F835-L846 HydrophobicContact CE1-CG 3.8Å; F835-L846 HydrophobicContact CE2-CB 4.31Å; F835-L846 HydrophobicContact CE2-CD1 4.22Å; F835-L846 HydrophobicContact CG-CD1 4.27Å; F835-L846 HydrophobicContact CZ-CB 3.74Å; F835-L846 HydrophobicContact CZ-CD1 3.63Å; F835-L846 HydrophobicContact CZ-CD2 3.62Å; F835-L846 HydrophobicContact CZ-CG 3.82Å; P843-L846 HydrophobicContact CB-CD1 4.27Å; P843-L846 VanDerWaalsContact O-CB 3.31Å; P843-L846 WeakPolarHBondContact O-CB 3.08Å; P843-L846 VanDerWaalsContact O-CG 3.29Å; P843-L846 WeakPolarHBondContact O-CG 3.14Å; P843-L846 PolarHBondContact O-N 2.84Å; S844-L846 PolarHBondContact O-N 2.71Å; S844-L846 VanDerWaalsContact O-N 3.09Å; L846-K848 PolarHBondContact O-N 3.25Å; L846-P849 WeakPolarHBondContact O-CD 3.39Å; L846-L850 HydrophobicContact CB-CD1 4.42Å; L846-L850 WeakPolarHBondContact O-CB 3.44Å; L846-L850 WeakPolarHBondContact O-CG 3.48Å; L846-L850 PolarHBondContact O-N 2.77Å; L846-I915 HydrophobicContact CB-CD1 3.94Å; L846-I915 HydrophobicContact CD1-CD1 3.76Å; L846-I915 HydrophobicContact CD1-CG1 4.43Å |
| 847 | I | 89.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | -179.3 | -62.8 | 173.7 | 0 | 0 | 0 | 110.6 | S844 L850 T851 L912 I915 I919 P948 Y970 L971 Q974 | S844-I847 WeakPolarHBondContact O-CG1 3.34Å; S844-I847 PolarHBondContact O-N 3.09Å; I847-L850 PolarHBondContact O-N 3.48Å; I847-T851 HydrophobicContact CG2-CG2 4.38Å; I847-T851 WeakPolarHBondContact O-CG2 3.41Å; I847-T851 PolarHBondContact O-N 3.43Å; I847-T851 PolarHBondContact O-OG1 2.87Å; I847-L912 HydrophobicContact CB-CD1 4.49Å; I847-L912 HydrophobicContact CG1-CD1 4.46Å; I847-L912 HydrophobicContact CG2-CD1 4.1Å; I847-I915 HydrophobicContact CG1-CG2 4.1Å; I847-I919 HydrophobicContact CD1-CD1 3.91Å; I847-P948 HydrophobicContact CD1-CG 3.83Å; I847-Y970 HydrophobicContact CB-CE1 4.27Å; I847-Y970 HydrophobicContact CD1-CD1 4.37Å; I847-Y970 HydrophobicContact CD1-CE1 4.11Å; I847-Y970 HydrophobicContact CG2-CD1 4.42Å; I847-Y970 HydrophobicContact CG2-CE1 3.98Å; I847-L971 HydrophobicContact CG2-CD1 4.1Å; I847-Q974 HydrophobicContact CG2-CB 4.35Å; I847-Q974 HydrophobicContact CG2-CG 4.12Å |
| 848 | K | 87.9 | Confident | 80.2 | Confident | 51 Ų | 51 | 33.2 Ų | 33.2 | 22% | 0.222 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -51.4 | -179.8 | -73.2 | 164.9 | -179.6 | 148.5 | 0 | 112 | L846 T851 Y852 D947 Y970 | L846-K848 PolarHBondContact O-N 3.25Å; K848-T851 PolarHBondContact O-OG1 2.9Å; K848-Y852 WeakPolarHBondContact O-CB 3.48Å; K848-Y852 PolarHBondContact O-N 2.77Å; K848-Y852 VanDerWaalsContact O-N 3.15Å; K848-D947 IonicContact NZ-OD2 3.99Å; K848-D947 PolarHBondContact NZ-OD2 2.89Å; K848-Y970 WeakPolarHBondContact CE-OH 3.19Å; K848-Y970 PolarHBondContact NZ-OH 2.69Å |
| 849 | P | 89 | Confident | 82.5 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.045 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.1 | -48.7 | 169.2 | -30.4 | 35.5 | 0 | 0 | 0 | 114.5 | L764 P833 L845 L846 T851 Y852 W853 | L764-P849 HydrophobicContact CD2-CB 4.06Å; L764-P849 HydrophobicContact CD2-CG 4.23Å; L764-P849 HydrophobicContact CG-CG 4.5Å; P833-P849 HydrophobicContact CG-CB 4.16Å; L845-P849 WeakPolarHBondContact O-CD 3.09Å; L846-P849 WeakPolarHBondContact O-CD 3.39Å; P849-T851 PolarHBondContact O-N 2.86Å; P849-Y852 WeakPolarHBondContact O-CB 3.32Å; P849-Y852 PolarHBondContact O-N 2.66Å; P849-W853 VanDerWaalsContact O-CD1 3.26Å; P849-W853 PolarHBondContact O-N 2.69Å |
| 850 | L | 91.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | -175 | -76.2 | 167.2 | 0 | 0 | 0 | 112.6 | F835 L846 I847 L854 C908 L912 I915 | F835-L850 HydrophobicContact CE2-CD1 3.91Å; F835-L850 HydrophobicContact CE2-CD2 4.2Å; F835-L850 HydrophobicContact CE2-CG 4.17Å; L846-L850 HydrophobicContact CB-CD1 4.42Å; L846-L850 WeakPolarHBondContact O-CB 3.44Å; L846-L850 WeakPolarHBondContact O-CG 3.48Å; L846-L850 PolarHBondContact O-N 2.77Å; I847-L850 PolarHBondContact O-N 3.48Å; L850-L854 WeakPolarHBondContact O-CB 3.35Å; L850-L854 PolarHBondContact O-N 3.36Å; L850-C908 HydrophobicContact CD2-CB 4.42Å; L850-L912 HydrophobicContact CB-CB 4.36Å; L850-L912 HydrophobicContact CB-CD1 4.19Å; L850-L912 HydrophobicContact CD1-CB 4.4Å; L850-I915 HydrophobicContact CD1-CD1 3.48Å; L850-I915 VanDerWaalsContact CD1-CD1 3.48Å |
| 851 | T | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.4 | -34.4 | 174.6 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | I847 K848 P849 G855 L912 L971 Q974 L975 S978 | I847-T851 HydrophobicContact CG2-CG2 4.38Å; I847-T851 WeakPolarHBondContact O-CG2 3.41Å; I847-T851 PolarHBondContact O-N 3.43Å; I847-T851 PolarHBondContact O-OG1 2.87Å; K848-T851 PolarHBondContact O-OG1 2.9Å; P849-T851 PolarHBondContact O-N 2.86Å; T851-G855 PolarHBondContact O-N 2.93Å; T851-L912 HydrophobicContact CG2-CD1 4.21Å; T851-L912 HydrophobicContact CG2-CD2 3.81Å; T851-L971 HydrophobicContact CG2-CD1 4.36Å; T851-Q974 HydrophobicContact CG2-CB 4.03Å; T851-L975 HydrophobicContact CG2-CD2 3.73Å; T851-L975 HydrophobicContact CG2-CG 4.01Å; T851-S978 VanDerWaalsContact C-CB 3.45Å; T851-S978 WeakPolarHBondContact CB-OG 3.31Å; T851-S978 WeakPolarHBondContact O-CB 3.35Å; T851-S978 PolarHBondContact OG1-OG 2.9Å |
| 852 | Y | 92.6 | Very high | 88 | Confident | 16 Ų | 16 | 13.3 Ų | 13.3 | 6% | 0.063 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.6 | -49.2 | 174.5 | 178.7 | -91.7 | 0 | 0 | 0 | 112.1 | T760 L764 Y784 L787 K848 P849 G855 N856 S978 | T760-Y852 WeakPolarHBondContact CG2-OH 3.46Å; L764-Y852 HydrophobicContact CD1-CD1 4.18Å; L764-Y852 HydrophobicContact CD1-CD2 4.45Å; L764-Y852 HydrophobicContact CD1-CG 3.98Å; Y784-Y852 HydrophobicContact CD1-CD2 4.08Å; Y784-Y852 VanDerWaalsContact O-CE2 3.31Å; Y784-Y852 WeakPolarHBondContact O-CE2 3.47Å; L787-Y852 HydrophobicContact CD2-CE1 4.41Å; K848-Y852 WeakPolarHBondContact O-CB 3.48Å; K848-Y852 PolarHBondContact O-N 2.77Å; K848-Y852 VanDerWaalsContact O-N 3.15Å; P849-Y852 WeakPolarHBondContact O-CB 3.32Å; P849-Y852 PolarHBondContact O-N 2.66Å; Y852-G855 PolarHBondContact O-N 3.05Å; Y852-N856 PolarHBondContact O-N 3.24Å; Y852-N856 VanDerWaalsContact O-N 3.07Å; Y852-N856 PolarHBondContact O-ND2 2.68Å; Y852-S978 PolarHBondContact N-OG 3.32Å |
| 853 | W | 93.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 177.8 | -77 | 117.1 | 0 | 0 | 0 | 112.2 | L757 L787 I828 S831 V832 P849 G855 N856 S857 | L757-W853 HydrophobicContact CD2-CH2 4.01Å; L787-W853 HydrophobicContact CD2-CE3 4.29Å; L787-W853 HydrophobicContact CD2-CH2 3.55Å; L787-W853 HydrophobicContact CD2-CZ3 3.34Å; I828-W853 HydrophobicContact CB-CZ3 4.43Å; I828-W853 HydrophobicContact CG1-CZ3 4.29Å; I828-W853 HydrophobicContact CG2-CE3 4.19Å; I828-W853 HydrophobicContact CG2-CZ3 4.01Å; S831-W853 VanDerWaalsContact CB-CH2 3.45Å; S831-W853 PolarHBondContact O-NE1 2.92Å; V832-W853 HydrophobicContact CG2-CB 4.21Å; V832-W853 HydrophobicContact CG2-CD2 4.2Å; V832-W853 HydrophobicContact CG2-CE3 4.5Å; V832-W853 HydrophobicContact CG2-CG 4.05Å; P849-W853 VanDerWaalsContact O-CD1 3.26Å; P849-W853 PolarHBondContact O-N 2.69Å; W853-G855 VanDerWaalsContact C-N 3.29Å; W853-G855 PolarHBondContact O-N 3.33Å; W853-N856 PolarHBondContact O-N 3.49Å; W853-S857 VanDerWaalsContact O-CB 3.31Å; W853-S857 WeakPolarHBondContact O-CB 3.29Å; W853-S857 PolarHBondContact O-N 2.89Å; W853-S857 PolarHBondContact O-OG 3.35Å |
| 854 | L | 94.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.5 | -38.7 | 175.1 | -175.4 | 62.7 | 0 | 0 | 0 | 112.2 | L850 S858 V905 C908 F909 L912 L975 V980 L984 | L850-L854 WeakPolarHBondContact O-CB 3.35Å; L850-L854 PolarHBondContact O-N 3.36Å; L854-S858 WeakPolarHBondContact O-CB 3.48Å; L854-S858 PolarHBondContact O-N 2.88Å; L854-S858 PolarHBondContact O-OG 3.28Å; L854-V905 HydrophobicContact CD1-CG1 3.86Å; L854-V905 WeakPolarHBondContact CD1-O 3.25Å; L854-C908 HydrophobicContact CB-CB 4.05Å; L854-C908 HydrophobicContact CD1-CB 4.08Å; L854-F909 HydrophobicContact CD1-CB 4.28Å; L854-L912 HydrophobicContact CD2-CD2 4.11Å; L854-L975 HydrophobicContact CD2-CD2 4.27Å; L854-V980 HydrophobicContact CB-CG2 4.2Å; L854-V980 HydrophobicContact CD2-CG1 3.81Å; L854-V980 HydrophobicContact CD2-CG2 4.12Å; L854-V980 HydrophobicContact CG-CG1 3.98Å; L854-V980 HydrophobicContact CG-CG2 4.09Å; L854-L984 HydrophobicContact CD1-CD1 4.41Å |
| 855 | G | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.8 | -54.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T851 Y852 W853 S858 E859 | T851-G855 PolarHBondContact O-N 2.93Å; Y852-G855 PolarHBondContact O-N 3.05Å; W853-G855 VanDerWaalsContact C-N 3.29Å; W853-G855 PolarHBondContact O-N 3.33Å; G855-S858 PolarHBondContact O-OG 3.44Å; G855-E859 WeakPolarHBondContact O-CB 3.38Å; G855-E859 PolarHBondContact O-N 2.83Å; G855-E859 VanDerWaalsContact O-N 3.09Å |
| 856 | N | 93 | Very high | 89.7 | Confident | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.9 | -39.4 | -174.5 | -75.3 | -84 | 0 | 0 | 0 | 113.5 | Y784 L785 L787 A788 Y852 W853 L860 | Y784-N856 PolarHBondContact O-ND2 3.46Å; L785-N856 VanDerWaalsContact C-OD1 3.23Å; L785-N856 VanDerWaalsContact CA-OD1 3.27Å; L785-N856 WeakPolarHBondContact CA-OD1 3.29Å; L785-N856 PolarHBondContact O-OD1 2.68Å; L787-N856 HydrophobicContact CB-CB 4.34Å; L787-N856 WeakPolarHBondContact CB-OD1 3.38Å; L787-N856 HydrophobicContact CD2-CB 4.47Å; L787-N856 PolarHBondContact N-OD1 3.08Å; A788-N856 HydrophobicContact CB-CB 4.35Å; A788-N856 PolarHBondContact N-OD1 3.44Å; A788-N856 VanDerWaalsContact N-OD1 3.12Å; Y852-N856 PolarHBondContact O-N 3.24Å; Y852-N856 VanDerWaalsContact O-N 3.07Å; Y852-N856 PolarHBondContact O-ND2 2.68Å; W853-N856 PolarHBondContact O-N 3.49Å; N856-L860 WeakPolarHBondContact O-CB 3.2Å; N856-L860 PolarHBondContact O-N 3.45Å |
| 857 | S | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.4 | -42.8 | 177.8 | 56 | 0 | 0 | 0 | 0 | 112.2 | W853 L861 V905 | W853-S857 VanDerWaalsContact O-CB 3.31Å; W853-S857 WeakPolarHBondContact O-CB 3.29Å; W853-S857 PolarHBondContact O-N 2.89Å; W853-S857 PolarHBondContact O-OG 3.35Å; S857-L861 WeakPolarHBondContact O-CB 3.41Å; S857-L861 PolarHBondContact O-N 3.24Å; S857-V905 VanDerWaalsContact OG-CG2 3.3Å; S857-V905 WeakPolarHBondContact OG-CG2 3.22Å |
| 858 | S | 93.8 | Very high | 88.4 | Confident | 17 Ų | 17 | 13.6 Ų | 13.6 | 12% | 0.119 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -69.8 | -34 | 178.4 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | L854 G855 H862 | L854-S858 WeakPolarHBondContact O-CB 3.48Å; L854-S858 PolarHBondContact O-N 2.88Å; L854-S858 PolarHBondContact O-OG 3.28Å; G855-S858 PolarHBondContact O-OG 3.44Å; S858-H862 PolarHBondContact O-N 3.01Å |
| 859 | E | 91.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -72.4 | -43.4 | 175.6 | -166.9 | 71.9 | 172.1 | 0 | 0 | 112.1 | L785 A788 Y789 G855 L861 H862 F863 G1162 Y1163 V1164 | L785-E859 HydrophobicContact CD1-CG 4.27Å; L785-E859 HydrophobicContact CD2-CB 4.29Å; A788-E859 HydrophobicContact CB-CB 4.14Å; A788-E859 HydrophobicContact CB-CG 4.41Å; Y789-E859 HydrophobicContact CE2-CG 4.26Å; G855-E859 WeakPolarHBondContact O-CB 3.38Å; G855-E859 PolarHBondContact O-N 2.83Å; G855-E859 VanDerWaalsContact O-N 3.09Å; E859-L861 VanDerWaalsContact C-N 3.33Å; E859-L861 PolarHBondContact O-N 3.45Å; E859-H862 WeakPolarHBondContact O-CB 3.47Å; E859-H862 PolarHBondContact O-N 3.43Å; E859-H862 VanDerWaalsContact O-N 3.15Å; E859-F863 HydrophobicContact CG-CE1 3.83Å; E859-F863 HydrophobicContact CG-CE2 4.05Å; E859-F863 HydrophobicContact CG-CZ 3.58Å; E859-F863 WeakPolarHBondContact O-CD1 3.37Å; E859-F863 VanDerWaalsContact O-CG 3.32Å; E859-F863 WeakPolarHBondContact O-CG 3.16Å; E859-F863 PolarHBondContact O-N 3.35Å; E859-F863 WeakPolarHBondContact OE1-CE1 3.16Å; E859-G1162 WeakPolarHBondContact OE2-CA 3.4Å; E859-Y1163 PolarHBondContact OE2-N 2.77Å; E859-V1164 VanDerWaalsContact OE1-CB 3.28Å; E859-V1164 WeakPolarHBondContact OE1-CB 3.35Å; E859-V1164 VanDerWaalsContact OE1-CG2 3.23Å; E859-V1164 WeakPolarHBondContact OE1-CG2 3.43Å; E859-V1164 PolarHBondContact OE1-N 3.48Å |
| 860 | L | 92.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 175.4 | -174.4 | 65.2 | 0 | 0 | 0 | 111.9 | A788 L791 I828 N856 H862 F863 F864 L901 | A788-L860 HydrophobicContact CB-CB 4.13Å; L791-L860 HydrophobicContact CB-CD1 4.47Å; L791-L860 HydrophobicContact CB-CD2 4.45Å; L791-L860 HydrophobicContact CD1-CD2 4.17Å; I828-L860 HydrophobicContact CD1-CD2 3.4Å; I828-L860 VanDerWaalsContact CD1-CD2 3.4Å; N856-L860 WeakPolarHBondContact O-CB 3.2Å; N856-L860 PolarHBondContact O-N 3.45Å; L860-H862 VanDerWaalsContact C-N 3.34Å; L860-F863 HydrophobicContact CD1-CD2 4.47Å; L860-F863 PolarHBondContact O-N 2.84Å; L860-F864 HydrophobicContact CD1-CD1 4.4Å; L860-F864 HydrophobicContact CD1-CE1 3.91Å; L860-F864 HydrophobicContact CD1-CE2 4.21Å; L860-F864 HydrophobicContact CD1-CZ 3.8Å; L860-F864 HydrophobicContact CD2-CE2 4.15Å; L860-F864 HydrophobicContact CD2-CZ 4.28Å; L860-F864 HydrophobicContact CG-CD2 4.34Å; L860-F864 HydrophobicContact CG-CE2 3.98Å; L860-F864 HydrophobicContact CG-CZ 4.08Å; L860-F864 PolarHBondContact O-N 3.29Å; L860-L901 HydrophobicContact CD2-CD1 4.28Å; L860-L901 HydrophobicContact CD2-CD2 4.36Å; L860-L901 HydrophobicContact CG-CD1 4.29Å |
| 861 | L | 90.8 | Very high | 84.8 | Confident | 18 Ų | 18 | 16.7 Ų | 16.7 | 9% | 0.094 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 171.7 | 178.7 | 60.4 | 0 | 0 | 0 | 111.8 | S857 E859 K865 L898 L901 A902 L1158 | S857-L861 WeakPolarHBondContact O-CB 3.41Å; S857-L861 PolarHBondContact O-N 3.24Å; E859-L861 VanDerWaalsContact C-N 3.33Å; E859-L861 PolarHBondContact O-N 3.45Å; L861-K865 WeakPolarHBondContact O-CB 3.24Å; L861-K865 PolarHBondContact O-N 3.25Å; L861-L898 HydrophobicContact CD1-CB 4.38Å; L861-L898 HydrophobicContact CD1-CD2 3.72Å; L861-L898 WeakPolarHBondContact CD1-O 3.27Å; L861-L901 HydrophobicContact CB-CB 4.19Å; L861-L901 HydrophobicContact CD1-CB 4.06Å; L861-A902 HydrophobicContact CD2-CB 4.06Å; L861-L1158 HydrophobicContact CD2-CD1 4.13Å |
| 862 | H | 86.4 | Confident | 82.7 | Confident | 13 Ų | 13 | 18.4 Ų | 18.4 | 6% | 0.06 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.6 | 176.3 | 71.3 | 0 | 0 | 0 | 112 | S858 E859 L860 N866 A1160 G1162 S1165 | S858-H862 PolarHBondContact O-N 3.01Å; E859-H862 WeakPolarHBondContact O-CB 3.47Å; E859-H862 PolarHBondContact O-N 3.43Å; E859-H862 VanDerWaalsContact O-N 3.15Å; L860-H862 VanDerWaalsContact C-N 3.34Å; H862-N866 PolarHBondContact CE1-ND2 3.01Å; H862-N866 PolarHBondContact ND1-ND2 2.96Å; H862-N866 VanDerWaalsContact ND1-ND2 3.17Å; H862-N866 PolarHBondContact O-N 3.36Å; H862-N866 PolarHBondContact O-ND2 3.02Å; H862-A1160 PolarHBondContact CE1-O 3.05Å; H862-A1160 PolarHBondContact ND1-O 2.91Å; H862-G1162 PolarHBondContact CD2-N 2.93Å; H862-G1162 PolarHBondContact CE1-N 2.83Å; H862-G1162 VanDerWaalsContact CG-N 3.26Å; H862-G1162 PolarHBondContact ND1-N 2.91Å; H862-G1162 PolarHBondContact NE2-N 2.82Å; H862-S1165 PolarHBondContact CE1-OG 2.73Å; H862-S1165 VanDerWaalsContact CE1-OG 3.27Å; H862-S1165 PolarHBondContact NE2-OG 2.85Å |
| 863 | F | 86.9 | Confident | 80 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -57.6 | 176.3 | -63.9 | -15.1 | 0 | 0 | 0 | 111.6 | A788 Y789 Y792 E859 L860 K865 N866 D867 M1210 | A788-F863 HydrophobicContact CB-CE2 4.46Å; Y789-F863 AromaticContact CD2-CE2 3.92Å; Y789-F863 HydrophobicContact CD2-CE2 3.92Å; Y789-F863 AromaticContact CD2-CZ 3.98Å; Y789-F863 HydrophobicContact CD2-CZ 3.98Å; Y789-F863 HydrophobicContact CE1-CZ 4.45Å; Y789-F863 AromaticContact CE2-CE2 3.91Å; Y789-F863 HydrophobicContact CE2-CE2 3.91Å; Y789-F863 AromaticContact CE2-CZ 3.46Å; Y789-F863 HydrophobicContact CE2-CZ 3.46Å; Y789-F863 VanDerWaalsContact CE2-CZ 3.46Å; Y789-F863 HydrophobicContact CG-CE2 4.44Å; Y789-F863 AromaticContact CZ-CZ 3.7Å; Y792-F863 HydrophobicContact CD1-CD2 4.36Å; Y792-F863 HydrophobicContact CD2-CB 3.79Å; Y792-F863 HydrophobicContact CD2-CD2 4.17Å; Y792-F863 HydrophobicContact CD2-CG 4.35Å; Y792-F863 HydrophobicContact CE2-CB 4.05Å; Y792-F863 HydrophobicContact CG-CB 4.32Å; Y792-F863 AromaticContact CG-CD2 3.85Å; Y792-F863 HydrophobicContact CG-CD2 3.85Å; Y792-F863 HydrophobicContact CG-CG 4.4Å; E859-F863 HydrophobicContact CG-CE1 3.83Å; E859-F863 HydrophobicContact CG-CE2 4.05Å; E859-F863 HydrophobicContact CG-CZ 3.58Å; E859-F863 WeakPolarHBondContact O-CD1 3.37Å; E859-F863 VanDerWaalsContact O-CG 3.32Å; E859-F863 WeakPolarHBondContact O-CG 3.16Å; E859-F863 PolarHBondContact O-N 3.35Å; E859-F863 WeakPolarHBondContact OE1-CE1 3.16Å; L860-F863 HydrophobicContact CD1-CD2 4.47Å; L860-F863 PolarHBondContact O-N 2.84Å; F863-K865 PolarHBondContact O-N 3.32Å; F863-N866 PolarHBondContact O-N 3.28Å; F863-D867 WeakPolarHBondContact O-CB 3.26Å; F863-D867 PolarHBondContact O-N 3.17Å; F863-M1210 HydrophobicContact CB-CE 4.25Å; F863-M1210 HydrophobicContact CB-SD 3.87Å; F863-M1210 HydrophobicContact CD1-CE 3.36Å; F863-M1210 HydrophobicContact CD1-SD 3.56Å; F863-M1210 VanDerWaalsContact CD1-SD 3.56Å; F863-M1210 HydrophobicContact CD2-CE 4Å; F863-M1210 HydrophobicContact CE1-CE 3.51Å; F863-M1210 HydrophobicContact CE1-SD 4.24Å; F863-M1210 HydrophobicContact CE2-CE 4.11Å; F863-M1210 HydrophobicContact CG-CE 3.62Å; F863-M1210 HydrophobicContact CG-SD 3.81Å; F863-M1210 HydrophobicContact CZ-CE 3.86Å |
| 864 | F | 87.9 | Confident | 77.1 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -33.7 | 179.6 | -68.5 | -17.4 | 0 | 0 | 0 | 112.8 | Y792 Y795 T821 M824 L860 N866 L870 C871 L898 L901 | Y792-F864 HydrophobicContact CD2-CD1 4.37Å; Y792-F864 HydrophobicContact CD2-CE1 4.3Å; Y795-F864 HydrophobicContact CD1-CE1 4.03Å; Y795-F864 HydrophobicContact CD2-CE1 4.43Å; Y795-F864 AromaticContact CG-CE1 4Å; Y795-F864 HydrophobicContact CG-CE1 4Å; T821-F864 HydrophobicContact CG2-CE1 4.46Å; T821-F864 HydrophobicContact CG2-CE2 4.29Å; T821-F864 HydrophobicContact CG2-CZ 4.11Å; M824-F864 HydrophobicContact SD-CZ 3.92Å; L860-F864 HydrophobicContact CD1-CD1 4.4Å; L860-F864 HydrophobicContact CD1-CE1 3.91Å; L860-F864 HydrophobicContact CD1-CE2 4.21Å; L860-F864 HydrophobicContact CD1-CZ 3.8Å; L860-F864 HydrophobicContact CD2-CE2 4.15Å; L860-F864 HydrophobicContact CD2-CZ 4.28Å; L860-F864 HydrophobicContact CG-CD2 4.34Å; L860-F864 HydrophobicContact CG-CE2 3.98Å; L860-F864 HydrophobicContact CG-CZ 4.08Å; L860-F864 PolarHBondContact O-N 3.29Å; F864-N866 VanDerWaalsContact C-N 3.32Å; F864-N866 PolarHBondContact O-N 2.96Å; F864-L870 HydrophobicContact CB-CD1 3.97Å; F864-L870 HydrophobicContact CD1-CD1 3.64Å; F864-L870 HydrophobicContact CE1-CD1 4.42Å; F864-L870 HydrophobicContact CG-CD1 4.01Å; F864-C871 PolarHBondContact O-SG 3.35Å; F864-C871 VanDerWaalsContact O-SG 3.33Å; F864-L898 HydrophobicContact CB-CD2 3.67Å; F864-L901 HydrophobicContact CD2-CD1 3.71Å; F864-L901 HydrophobicContact CE2-CD1 3.92Å |
| 865 | K | 82.3 | Confident | 73.9 | Confident | 84 Ų | 84 | 34.5 Ų | 34.5 | 37% | 0.365 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72.7 | -16.9 | 177.3 | -175.2 | 174.9 | 178.4 | -179.5 | 0 | 114.5 | L861 F863 L898 | L861-K865 WeakPolarHBondContact O-CB 3.24Å; L861-K865 PolarHBondContact O-N 3.25Å; F863-K865 PolarHBondContact O-N 3.32Å; K865-L898 HydrophobicContact CB-CD2 4.45Å |
| 866 | N | 76.4 | Confident | 70.7 | Confident | 31 Ų | 31 | 46 Ų | 46 | 17% | 0.166 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -113.5 | -2.7 | 180 | -75.6 | -88 | 0 | 0 | 0 | 113.7 | H862 F863 F864 R1211 | H862-N866 PolarHBondContact CE1-ND2 3.01Å; H862-N866 PolarHBondContact ND1-ND2 2.96Å; H862-N866 VanDerWaalsContact ND1-ND2 3.17Å; H862-N866 PolarHBondContact O-N 3.36Å; H862-N866 PolarHBondContact O-ND2 3.02Å; F863-N866 PolarHBondContact O-N 3.28Å; F864-N866 VanDerWaalsContact C-N 3.32Å; F864-N866 PolarHBondContact O-N 2.96Å; N866-R1211 PolarHBondContact OD1-NH2 3.38Å |
| 867 | D | 80.2 | Confident | 67.7 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -77.9 | 124.6 | -179 | -164.2 | -58 | 0 | 0 | 0 | 111.5 | Y792 Y795 R796 F863 D869 L870 C871 | Y792-D867 VanDerWaalsContact CE2-OD2 3.31Å; Y792-D867 WeakPolarHBondContact CE2-OD2 3.32Å; Y792-D867 PolarHBondContact OH-OD2 3Å; Y795-D867 PolarHBondContact OH-OD1 2.81Å; R796-D867 IonicContact CZ-OD1 2.71Å; R796-D867 IonicContact CZ-OD2 3.98Å; R796-D867 VanDerWaalsContact CZ-OD2 3.25Å; R796-D867 IonicContact NE-OD1 3.48Å; R796-D867 IonicContact NE-OD2 2.88Å; R796-D867 PolarHBondContact NE-OD2 3.2Å; R796-D867 IonicContact NH2-OD1 2.76Å; R796-D867 PolarHBondContact NH2-OD1 2.75Å; R796-D867 IonicContact NH2-OD2 2.8Å; R796-D867 PolarHBondContact NH2-OD2 2.9Å; F863-D867 WeakPolarHBondContact O-CB 3.26Å; F863-D867 PolarHBondContact O-N 3.17Å; D867-D869 PolarHBondContact O-N 3.12Å; D867-D869 PolarHBondContact OD1-N 3.09Å; D867-L870 HydrophobicContact CB-CB 4.23Å; D867-L870 HydrophobicContact CB-CD1 3.91Å; D867-L870 HydrophobicContact CB-CG 4.35Å; D867-L870 PolarHBondContact O-N 3.26Å; D867-C871 VanDerWaalsContact O-CB 3.25Å; D867-C871 WeakPolarHBondContact O-CB 3.25Å; D867-C871 PolarHBondContact O-N 3.23Å; D867-C871 PolarHBondContact O-SG 2.84Å | ||
| 868 | I | 67.6 | Low | 64.5 | Low | 37 Ų | 37 | 60.5 Ų | 60.5 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.2 | -32.4 | -176.5 | -76.6 | 174.9 | 0 | 0 | 0 | 112.8 | L870 C871 S872 R1211 L1212 | I868-L870 PolarHBondContact O-N 3.49Å; I868-C871 PolarHBondContact O-N 3.33Å; I868-S872 WeakPolarHBondContact O-CB 3.45Å; I868-S872 PolarHBondContact O-N 3.17Å; I868-S872 PolarHBondContact O-OG 2.97Å; I868-R1211 HydrophobicContact CD1-CG 4.41Å; I868-L1212 WeakPolarHBondContact CD1-O 3.3Å |
| 869 | D | 67.3 | Low | 61.3 | Low | 56 Ų | 56 | 70.6 Ų | 70.6 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -74.6 | -18.2 | 179.8 | -62 | -54.5 | 0 | 0 | 0 | 112 | R796 I799 D867 Q890 | R796-D869 IonicContact CZ-OD2 3.86Å; R796-D869 IonicContact NH1-OD2 3.19Å; R796-D869 PolarHBondContact NH1-OD2 3.42Å; R796-D869 IonicContact NH2-OD2 3.93Å; R796-D869 PolarHBondContact NH2-OD2 3.17Å; I799-D869 HydrophobicContact CD1-CB 4.04Å; D867-D869 PolarHBondContact O-N 3.12Å; D867-D869 PolarHBondContact OD1-N 3.09Å; D869-Q890 PolarHBondContact O-NE2 2.95Å |
| 870 | L | 68.7 | Low | 58.4 | Low | 16 Ų | 16 | 78.7 Ų | 78.7 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -93.4 | -28.9 | 172.3 | -71.3 | 165.1 | 0 | 0 | 0 | 113.5 | Y795 I817 T821 F864 D867 I868 C894 | Y795-L870 HydrophobicContact CE1-CD1 4.14Å; Y795-L870 HydrophobicContact CE2-CD1 3.87Å; Y795-L870 HydrophobicContact CE2-CD2 4.06Å; Y795-L870 HydrophobicContact CE2-CG 4.04Å; Y795-L870 WeakPolarHBondContact OH-CD1 3.23Å; Y795-L870 VanDerWaalsContact OH-CG 3.3Å; Y795-L870 WeakPolarHBondContact OH-CG 3.24Å; I817-L870 HydrophobicContact CG2-CD2 3.89Å; T821-L870 HydrophobicContact CG2-CD2 4.31Å; F864-L870 HydrophobicContact CB-CD1 3.97Å; F864-L870 HydrophobicContact CD1-CD1 3.64Å; F864-L870 HydrophobicContact CE1-CD1 4.42Å; F864-L870 HydrophobicContact CG-CD1 4.01Å; D867-L870 HydrophobicContact CB-CB 4.23Å; D867-L870 HydrophobicContact CB-CD1 3.91Å; D867-L870 HydrophobicContact CB-CG 4.35Å; D867-L870 PolarHBondContact O-N 3.26Å; I868-L870 PolarHBondContact O-N 3.49Å; L870-C894 HydrophobicContact CD2-CB 3.82Å; L870-C894 WeakPolarHBondContact CD2-SG 3.4Å |
| 871 | C | 55.5 | Low | 55.3 | Low | 51 Ų | 51 | 86.9 Ų | 86.9 | 35% | 0.345 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -118.5 | -2.2 | -165.6 | -62 | 0 | 0 | 0 | 0 | 115.9 | F864 D867 I868 N873 | F864-C871 PolarHBondContact O-SG 3.35Å; F864-C871 VanDerWaalsContact O-SG 3.33Å; D867-C871 VanDerWaalsContact O-CB 3.25Å; D867-C871 WeakPolarHBondContact O-CB 3.25Å; D867-C871 PolarHBondContact O-N 3.23Å; D867-C871 PolarHBondContact O-SG 2.84Å; I868-C871 PolarHBondContact O-N 3.33Å; C871-N873 PolarHBondContact O-N 2.93Å |
| 872 | S | 49 | Very low | 52.3 | Low | 36 Ų | 36 | 92.9 Ų | 92.9 | 25% | 0.252 | 46% | 0.459 | S | S | . | . | trans | -85.8 | 107.5 | -171.8 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | I868 H874 | I868-S872 WeakPolarHBondContact O-CB 3.45Å; I868-S872 PolarHBondContact O-N 3.17Å; I868-S872 PolarHBondContact O-OG 2.97Å; S872-H874 PolarHBondContact O-N 3.1Å | ||
| 873 | N | 36.8 | Very low | 49.6 | Very low | 109 Ų | 109 | 99.7 Ų | 99.7 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | trans | -72.5 | 104.4 | 165.2 | -70.9 | -33.8 | 0 | 0 | 0 | 110.5 | C871 S875 | C871-N873 PolarHBondContact O-N 2.93Å; N873-S875 PolarHBondContact O-N 3.37Å; N873-S875 PolarHBondContact O-OG 3.01Å | ||
| 874 | H | 31.8 | Very low | 46.9 | Very low | 151 Ų | 151 | 109.4 Ų | 109.4 | 70% | 0.699 | 54% | 0.542 | S | S | * | . | trans | -58.4 | 105.6 | 177.5 | -102.3 | 67.2 | 0 | 0 | 0 | 112.1 | S872 | S872-H874 PolarHBondContact O-N 3.1Š| ||
| 875 | S | 26.5 | Very low | 44.1 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | trans | -152.3 | 55.2 | -174.5 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | N873 | N873-S875 PolarHBondContact O-N 3.37Å; N873-S875 PolarHBondContact O-OG 3.01Å | ||
| 876 | R | 26.8 | Very low | 41.5 | Very low | 240 Ų | 240 | 113.6 Ų | 113.6 | 91% | 0.906 | 59% | 0.592 | S | S | * | * | trans | -170.7 | 101.7 | 156.9 | -105.1 | 152 | -170.6 | -161 | 3.6 | 113.3 | ||||
| 877 | T | 28.4 | Very low | 39.4 | Very low | 145 Ų | 145 | 116.1 Ų | 116.1 | 89% | 0.89 | 61% | 0.612 | S | S | * | * | -173.4 | 135.7 | 110.4 | 30.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 878 | N | 28 | Very low | 37.4 | Very low | 165 Ų | 165 | 122.7 Ų | 122.7 | 88% | 0.882 | 65% | 0.646 | S | S | * | * | trans | -84.1 | 119 | 175.7 | -105.9 | -16.8 | 0 | 0 | 0 | 111 | ||||
| 879 | R | 25.6 | Very low | 36 | Very low | 228 Ų | 228 | 124.5 Ų | 124.5 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | trans | -173.9 | 141.5 | 140.6 | -105.5 | 165.3 | -148.3 | -148.9 | 5 | 112.6 | ||||
| 880 | H | 31.5 | Very low | 34.8 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 80% | 0.801 | 66% | 0.656 | S | S | * | * | trans | 69.7 | 152.8 | 179.3 | -61.2 | -71 | 0 | 0 | 0 | 116.8 | ||||
| 881 | Q | 27.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 126.2 Ų | 126.2 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -103.7 | 164.1 | -153.2 | -64.8 | 151.7 | -64.1 | 0 | 0 | 111.8 | ||||
| 882 | N | 27.1 | Very low | 33.8 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | trans | 64 | 84.3 | 165.5 | -55.7 | -1.4 | 0 | 0 | 0 | 116.2 | ||||
| 883 | D | 30.2 | Very low | 34.2 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | -166.2 | 143.2 | 103.1 | -91.9 | -21.7 | 0 | 0 | 0 | 111 | |||||
| 884 | Q | 29.3 | Very low | 35.6 | Very low | 204 Ų | 204 | 122.6 Ų | 122.6 | 95% | 0.953 | 64% | 0.643 | S | S | * | * | trans | -123.1 | 72.3 | -173.8 | -73.2 | -167.2 | -13.7 | 0 | 0 | 112.8 | ||||
| 885 | S | 28.8 | Very low | 37.5 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 76% | 0.762 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -149.3 | 2.1 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 886 | G | 28.2 | Very low | 40 | Very low | 65 Ų | 65 | 114.9 Ų | 114.9 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -117.7 | 9.7 | -162.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 887 | S | 33.3 | Very low | 42.7 | Very low | 83 Ų | 83 | 103.4 Ų | 103.4 | 58% | 0.58 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -120.9 | 10.5 | -163.5 | -166.8 | 0 | 0 | 0 | 0 | 117.3 | ||
| 888 | I | 37.8 | Very low | 45.5 | Very low | 139 Ų | 139 | 97.8 Ų | 97.8 | 71% | 0.713 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -112.3 | -24.4 | -175.5 | -67.8 | 175.5 | 0 | 0 | 0 | 113.1 | Q890 | I888-Q890 PolarHBondContact O-N 2.86Š|
| 889 | I | 38.7 | Very low | 48.3 | Very low | 74 Ų | 74 | 93.1 Ų | 93.1 | 38% | 0.379 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -69.7 | -43.3 | -160.1 | -45 | -178.1 | 0 | 0 | 0 | 112.1 | E814 S891 V892 I893 | E814-I889 WeakPolarHBondContact OE1-CB 3.21Å; I889-S891 PolarHBondContact O-N 3.13Å; I889-V892 PolarHBondContact O-N 3.15Å; I889-I893 HydrophobicContact CG2-CD1 3.84Å; I889-I893 HydrophobicContact CG2-CG1 4.49Å |
| 890 | Q | 40.8 | Very low | 51.3 | Low | 71 Ų | 71 | 83.6 Ų | 83.6 | 33% | 0.332 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -56.8 | -27.5 | -172.1 | -154.1 | 161.3 | -8 | 0 | 0 | 115.3 | E814 D869 I888 | E814-Q890 WeakPolarHBondContact OE1-CA 3.31Å; E814-Q890 PolarHBondContact OE1-N 3.48Å; E814-Q890 VanDerWaalsContact OE1-N 3.16Å; D869-Q890 PolarHBondContact O-NE2 2.95Å; I888-Q890 PolarHBondContact O-N 2.86Å |
| 891 | S | 51 | Low | 54.2 | Low | 37 Ų | 37 | 75.3 Ų | 75.3 | 26% | 0.259 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -84.2 | -9.8 | 179.5 | 78.4 | 0 | 0 | 0 | 0 | 115.5 | I889 | I889-S891 PolarHBondContact O-N 3.13Š|
| 892 | V | 52.6 | Low | 57.2 | Low | 87 Ų | 87 | 68.2 Ų | 68.2 | 53% | 0.527 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -30.3 | -178.4 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | I889 C894 R895 | I889-V892 PolarHBondContact O-N 3.15Å; V892-C894 PolarHBondContact O-N 3.49Å; V892-R895 WeakPolarHBondContact O-CB 3.33Å; V892-R895 PolarHBondContact O-N 3.14Å |
| 893 | I | 56.3 | Low | 60.1 | Low | 24 Ų | 24 | 66.5 Ų | 66.5 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -44.3 | -164.3 | -84.7 | 158 | 0 | 0 | 0 | 115.3 | E814 S818 I889 | E814-I893 HydrophobicContact CB-CD1 3.42Å; E814-I893 VanDerWaalsContact CB-CD1 3.42Å; E814-I893 VanDerWaalsContact CD-CD1 3.49Å; E814-I893 HydrophobicContact CG-CD1 3.48Å; E814-I893 VanDerWaalsContact CG-CD1 3.48Å; E814-I893 WeakPolarHBondContact OE1-CD1 3.49Å; S818-I893 WeakPolarHBondContact CB-O 3.29Å; S818-I893 PolarHBondContact OG-O 2.86Å; I889-I893 HydrophobicContact CG2-CD1 3.84Å; I889-I893 HydrophobicContact CG2-CG1 4.49Å |
| 894 | C | 66.4 | Low | 63 | Low | 10 Ų | 10 | 59.1 Ų | 59.1 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 10.7 | -175.8 | -62.5 | 0 | 0 | 0 | 0 | 112.9 | T821 L870 V892 D896 A897 L898 | T821-C894 PolarHBondContact OG1-SG 3.44Å; L870-C894 HydrophobicContact CD2-CB 3.82Å; L870-C894 WeakPolarHBondContact CD2-SG 3.4Å; V892-C894 PolarHBondContact O-N 3.49Å; C894-D896 VanDerWaalsContact C-N 3.31Å; C894-D896 PolarHBondContact O-N 2.94Å; C894-A897 PolarHBondContact O-N 3.33Å; C894-L898 WeakPolarHBondContact O-CG 3.49Å; C894-L898 PolarHBondContact O-N 3.41Å; C894-L898 VanDerWaalsContact O-N 3.11Å |
| 895 | R | 72.9 | Confident | 66.1 | Low | 28 Ų | 28 | 49.4 Ų | 49.4 | 11% | 0.106 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -34.3 | -171.7 | -158.9 | -146.5 | 74.4 | 74.7 | 10.8 | 112.3 | V892 H899 Y1305 | V892-R895 WeakPolarHBondContact O-CB 3.33Å; V892-R895 PolarHBondContact O-N 3.14Å; R895-H899 PolarHBondContact NH1-CD2 3.28Å; R895-H899 PolarHBondContact NH1-NE2 2.99Å; R895-H899 PolarHBondContact O-CD2 3.44Å; R895-H899 VanDerWaalsContact O-CD2 3.29Å; R895-H899 PolarHBondContact O-N 2.94Å; R895-Y1305 HydrophobicContact CG-CD1 3.69Å; R895-Y1305 HydrophobicContact CG-CE1 3.83Å |
| 896 | D | 78 | Confident | 69.1 | Low | 57 Ų | 57 | 48 Ų | 48 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -80.2 | -37.4 | -178.7 | -58.4 | -28.9 | 0 | 0 | 0 | 111.3 | Q473 C894 L898 H899 L900 | Q473-D896 PolarHBondContact NE2-OD2 3.42Å; C894-D896 VanDerWaalsContact C-N 3.31Å; C894-D896 PolarHBondContact O-N 2.94Å; D896-L898 VanDerWaalsContact C-N 3.33Å; D896-L898 PolarHBondContact O-N 3.01Å; D896-H899 PolarHBondContact O-N 3.34Å; D896-H899 VanDerWaalsContact O-N 3.1Å; D896-L900 PolarHBondContact O-N 2.88Å |
| 897 | A | 84.5 | Confident | 72 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.3 | -44.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T821 N822 A825 C894 H899 L900 L901 | T821-A897 WeakPolarHBondContact O-CB 3.43Å; N822-A897 WeakPolarHBondContact OD1-CB 3.03Å; N822-A897 PolarHBondContact OD1-N 3.48Å; A825-A897 HydrophobicContact CB-CB 3.94Å; C894-A897 PolarHBondContact O-N 3.33Å; A897-H899 VanDerWaalsContact C-N 3.32Å; A897-H899 PolarHBondContact O-N 3.01Å; A897-L900 PolarHBondContact O-N 3.37Å; A897-L901 WeakPolarHBondContact O-CB 3.45Å; A897-L901 WeakPolarHBondContact O-CG 3.42Å; A897-L901 PolarHBondContact O-N 3.38Å |
| 898 | L | 87 | Confident | 74.8 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -36.2 | 175.4 | -71.6 | 171.3 | 0 | 0 | 0 | 112.3 | L861 F864 K865 C894 D896 A902 | L861-L898 HydrophobicContact CD1-CB 4.38Å; L861-L898 HydrophobicContact CD1-CD2 3.72Å; L861-L898 WeakPolarHBondContact CD1-O 3.27Å; F864-L898 HydrophobicContact CB-CD2 3.67Å; K865-L898 HydrophobicContact CB-CD2 4.45Å; C894-L898 WeakPolarHBondContact O-CG 3.49Å; C894-L898 PolarHBondContact O-N 3.41Å; C894-L898 VanDerWaalsContact O-N 3.11Å; D896-L898 VanDerWaalsContact C-N 3.33Å; D896-L898 PolarHBondContact O-N 3.01Å; L898-A902 WeakPolarHBondContact O-CB 3.36Å; L898-A902 PolarHBondContact O-N 3.46Å; L898-A902 VanDerWaalsContact O-N 3.14Å |
| 899 | H | 86.3 | Confident | 77.5 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 31% | 0.31 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.6 | -44.3 | 174.8 | -91.8 | -98.5 | 0 | 0 | 0 | 112.3 | R895 D896 A897 L901 A902 E903 Y1305 | R895-H899 PolarHBondContact NH1-CD2 3.28Å; R895-H899 PolarHBondContact NH1-NE2 2.99Å; R895-H899 PolarHBondContact O-CD2 3.44Å; R895-H899 VanDerWaalsContact O-CD2 3.29Å; R895-H899 PolarHBondContact O-N 2.94Å; D896-H899 PolarHBondContact O-N 3.34Å; D896-H899 VanDerWaalsContact O-N 3.1Å; A897-H899 VanDerWaalsContact C-N 3.32Å; A897-H899 PolarHBondContact O-N 3.01Å; H899-L901 PolarHBondContact O-N 2.94Å; H899-A902 WeakPolarHBondContact O-CB 3.45Å; H899-A902 PolarHBondContact O-N 2.92Å; H899-A902 VanDerWaalsContact O-N 3.16Å; H899-E903 WeakPolarHBondContact O-CB 3.21Å; H899-E903 PolarHBondContact O-N 3.23Å; H899-Y1305 PolarHBondContact CE1-O 2.75Å; H899-Y1305 PolarHBondContact NE2-O 3.29Å |
| 900 | L | 89.3 | Confident | 80 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 15% | 0.147 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | -179.9 | -175.1 | 58.3 | 0 | 0 | 0 | 112.2 | A825 N826 Y829 D896 A897 E903 T904 | A825-L900 HydrophobicContact CB-CB 4.26Å; A825-L900 HydrophobicContact CB-CD2 4.17Å; A825-L900 HydrophobicContact CB-CG 4.4Å; N826-L900 HydrophobicContact CB-CD2 4.27Å; N826-L900 WeakPolarHBondContact OD1-CD2 3.21Å; Y829-L900 HydrophobicContact CD1-CD1 4.22Å; Y829-L900 HydrophobicContact CD2-CD1 4.02Å; Y829-L900 HydrophobicContact CG-CD1 3.86Å; D896-L900 PolarHBondContact O-N 2.88Å; A897-L900 PolarHBondContact O-N 3.37Å; L900-E903 PolarHBondContact O-N 3.06Å; L900-T904 WeakPolarHBondContact O-CB 3.34Å; L900-T904 PolarHBondContact O-N 3.29Å; L900-T904 PolarHBondContact O-OG1 3.1Å |
| 901 | L | 92.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.3 | -36.6 | 169.8 | -74.5 | 172.4 | 0 | 0 | 0 | 112.3 | A825 I828 L860 L861 F864 A897 H899 T904 V905 | A825-L901 HydrophobicContact CB-CD2 4.41Å; A825-L901 HydrophobicContact CB-CG 3.97Å; I828-L901 HydrophobicContact CD1-CD2 3.9Å; I828-L901 HydrophobicContact CG2-CD2 4.16Å; L860-L901 HydrophobicContact CD2-CD1 4.28Å; L860-L901 HydrophobicContact CD2-CD2 4.36Å; L860-L901 HydrophobicContact CG-CD1 4.29Å; L861-L901 HydrophobicContact CB-CB 4.19Å; L861-L901 HydrophobicContact CD1-CB 4.06Å; F864-L901 HydrophobicContact CD2-CD1 3.71Å; F864-L901 HydrophobicContact CE2-CD1 3.92Å; A897-L901 WeakPolarHBondContact O-CB 3.45Å; A897-L901 WeakPolarHBondContact O-CG 3.42Å; A897-L901 PolarHBondContact O-N 3.38Å; H899-L901 PolarHBondContact O-N 2.94Å; L901-T904 WeakPolarHBondContact O-CB 3.44Å; L901-T904 PolarHBondContact O-N 2.85Å; L901-V905 WeakPolarHBondContact O-CG2 3.36Å; L901-V905 PolarHBondContact O-N 3.2Å; L901-V905 VanDerWaalsContact O-N 3.09Å |
| 902 | A | 89.6 | Confident | 84.3 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -41.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L861 L898 H899 V905 D906 L1158 | L861-A902 HydrophobicContact CD2-CB 4.06Å; L898-A902 WeakPolarHBondContact O-CB 3.36Å; L898-A902 PolarHBondContact O-N 3.46Å; L898-A902 VanDerWaalsContact O-N 3.14Å; H899-A902 WeakPolarHBondContact O-CB 3.45Å; H899-A902 PolarHBondContact O-N 2.92Å; H899-A902 VanDerWaalsContact O-N 3.16Å; A902-V905 PolarHBondContact O-N 3.1Å; A902-D906 PolarHBondContact O-N 2.85Å; A902-D906 VanDerWaalsContact O-N 3.07Å; A902-L1158 HydrophobicContact CB-CD1 3.61Å |
| 903 | E | 88.5 | Confident | 86.1 | Confident | 109 Ų | 109 | 29.7 Ų | 29.7 | 51% | 0.509 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 173.7 | -173.9 | 169.7 | -170 | 0 | 0 | 111.6 | Y829 H899 L900 V905 D906 H907 | Y829-E903 HydrophobicContact CE2-CG 4.43Å; H899-E903 WeakPolarHBondContact O-CB 3.21Å; H899-E903 PolarHBondContact O-N 3.23Å; L900-E903 PolarHBondContact O-N 3.06Å; E903-V905 VanDerWaalsContact C-N 3.33Å; E903-V905 PolarHBondContact O-N 3.4Å; E903-D906 PolarHBondContact O-N 2.8Å; E903-H907 WeakPolarHBondContact O-CB 3.43Å; E903-H907 PolarHBondContact O-N 3.24Å |
| 904 | T | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 172 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | I828 V832 L900 L901 C908 | I828-T904 HydrophobicContact CG2-CG2 3.91Å; V832-T904 HydrophobicContact CG2-CG2 3.76Å; L900-T904 WeakPolarHBondContact O-CB 3.34Å; L900-T904 PolarHBondContact O-N 3.29Å; L900-T904 PolarHBondContact O-OG1 3.1Å; L901-T904 WeakPolarHBondContact O-CB 3.44Å; L901-T904 PolarHBondContact O-N 2.85Å; T904-C908 WeakPolarHBondContact O-CB 3.45Å; T904-C908 PolarHBondContact O-N 3.25Å; T904-C908 PolarHBondContact O-SG 3.06Å |
| 905 | V | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 178.6 | 170 | 0 | 0 | 0 | 0 | 111 | L854 S857 L901 A902 E903 C908 F909 L984 L1156 L1158 | L854-V905 HydrophobicContact CD1-CG1 3.86Å; L854-V905 WeakPolarHBondContact CD1-O 3.25Å; S857-V905 VanDerWaalsContact OG-CG2 3.3Å; S857-V905 WeakPolarHBondContact OG-CG2 3.22Å; L901-V905 WeakPolarHBondContact O-CG2 3.36Å; L901-V905 PolarHBondContact O-N 3.2Å; L901-V905 VanDerWaalsContact O-N 3.09Å; A902-V905 PolarHBondContact O-N 3.1Å; E903-V905 VanDerWaalsContact C-N 3.33Å; E903-V905 PolarHBondContact O-N 3.4Å; V905-C908 PolarHBondContact O-N 2.91Å; V905-F909 VanDerWaalsContact O-CB 3.26Å; V905-F909 WeakPolarHBondContact O-CB 3.4Å; V905-F909 PolarHBondContact O-N 2.93Å; V905-L984 HydrophobicContact CG1-CD1 4.3Å; V905-L984 HydrophobicContact CG1-CD2 4.49Å; V905-L1156 HydrophobicContact CG1-CD2 4.19Å; V905-L1158 HydrophobicContact CB-CD2 4.08Å; V905-L1158 HydrophobicContact CG1-CD2 3.48Å; V905-L1158 VanDerWaalsContact CG1-CD2 3.48Å |
| 906 | D | 91.2 | Very high | 89.5 | Confident | 80 Ų | 80 | 28.6 Ų | 28.6 | 43% | 0.428 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.4 | -42.8 | 179 | -161.9 | 34.8 | 0 | 0 | 0 | 112 | A902 E903 F909 Y910 L1156 | A902-D906 PolarHBondContact O-N 2.85Å; A902-D906 VanDerWaalsContact O-N 3.07Å; E903-D906 PolarHBondContact O-N 2.8Å; D906-F909 PolarHBondContact O-N 3.46Å; D906-Y910 WeakPolarHBondContact O-CB 3.47Å; D906-Y910 PolarHBondContact O-N 2.54Å; D906-L1156 HydrophobicContact CB-CD2 3.98Å; D906-L1156 WeakPolarHBondContact OD1-CB 3.46Å; D906-L1156 VanDerWaalsContact OD1-CD2 3.27Å; D906-L1156 WeakPolarHBondContact OD1-CD2 3.43Å |
| 907 | H | 89.8 | Confident | 90 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 13% | 0.125 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.5 | -51.1 | 173.3 | -168.1 | 121.7 | 0 | 0 | 0 | 111.1 | Y829 E903 F909 Y910 Y911 | Y829-H907 HydrophobicContact CE2-CB 4.42Å; Y829-H907 AromaticContact CE2-ND1 3.83Å; Y829-H907 AromaticContact CZ-ND1 3.91Å; Y829-H907 PolarHBondContact OH-ND1 2.85Å; E903-H907 WeakPolarHBondContact O-CB 3.43Å; E903-H907 PolarHBondContact O-N 3.24Å; H907-F909 VanDerWaalsContact C-N 3.31Å; H907-F909 PolarHBondContact O-N 2.86Å; H907-Y910 PolarHBondContact O-N 3.24Å; H907-Y911 AromaticContact CD2-CD2 3.44Å; H907-Y911 VanDerWaalsContact CD2-CD2 3.44Å; H907-Y911 WeakPolarHBondContact CD2-CD2 3.46Å; H907-Y911 AromaticContact CD2-CE2 3.62Å; H907-Y911 AromaticContact CE1-CE2 3.78Å; H907-Y911 AromaticContact NE2-CD2 3.56Å; H907-Y911 AromaticContact NE2-CE2 3.27Å; H907-Y911 VanDerWaalsContact NE2-CE2 3.27Å; H907-Y911 WeakPolarHBondContact NE2-CE2 3.5Å; H907-Y911 WeakPolarHBondContact O-CD2 3.39Å; H907-Y911 PolarHBondContact O-N 2.93Å |
| 908 | C | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 177 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | L850 L854 T904 V905 L912 | L850-C908 HydrophobicContact CD2-CB 4.42Å; L854-C908 HydrophobicContact CB-CB 4.05Å; L854-C908 HydrophobicContact CD1-CB 4.08Å; T904-C908 WeakPolarHBondContact O-CB 3.45Å; T904-C908 PolarHBondContact O-N 3.25Å; T904-C908 PolarHBondContact O-SG 3.06Å; V905-C908 PolarHBondContact O-N 2.91Å; C908-L912 WeakPolarHBondContact O-CB 3.48Å; C908-L912 PolarHBondContact O-N 3.49Å; C908-L912 VanDerWaalsContact O-N 3.08Å |
| 909 | F | 93.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -46.6 | 179.2 | -177.1 | -84.2 | 0 | 0 | 0 | 112 | L854 V905 D906 H907 L912 R913 Q987 L988 L1156 | L854-F909 HydrophobicContact CD1-CB 4.28Å; V905-F909 VanDerWaalsContact O-CB 3.26Å; V905-F909 WeakPolarHBondContact O-CB 3.4Å; V905-F909 PolarHBondContact O-N 2.93Å; D906-F909 PolarHBondContact O-N 3.46Å; H907-F909 VanDerWaalsContact C-N 3.31Å; H907-F909 PolarHBondContact O-N 2.86Å; F909-L912 PolarHBondContact O-N 3.09Å; F909-R913 WeakPolarHBondContact O-CB 3.49Å; F909-R913 PolarHBondContact O-N 3.38Å; F909-Q987 HydrophobicContact CE2-CB 4.06Å; F909-Q987 HydrophobicContact CZ-CB 3.91Å; F909-L988 HydrophobicContact CD2-CB 4.44Å; F909-L988 HydrophobicContact CD2-CD1 4.33Å; F909-L988 HydrophobicContact CE1-CD1 4.44Å; F909-L988 HydrophobicContact CE2-CB 3.69Å; F909-L988 HydrophobicContact CE2-CD1 4.11Å; F909-L988 HydrophobicContact CE2-CG 4.5Å; F909-L988 HydrophobicContact CZ-CB 4.04Å; F909-L988 HydrophobicContact CZ-CD1 4.16Å; F909-L1156 HydrophobicContact CB-CD2 4.04Å; F909-L1156 HydrophobicContact CD1-CD1 4.02Å; F909-L1156 HydrophobicContact CD1-CD2 4.34Å; F909-L1156 HydrophobicContact CD2-CD1 3.81Å; F909-L1156 HydrophobicContact CD2-CD2 4.44Å; F909-L1156 HydrophobicContact CE1-CD1 3.92Å; F909-L1156 HydrophobicContact CE2-CD1 3.69Å; F909-L1156 HydrophobicContact CG-CD1 3.97Å; F909-L1156 HydrophobicContact CG-CD2 4.05Å; F909-L1156 HydrophobicContact CZ-CD1 3.76Å |
| 910 | Y | 90.8 | Very high | 90.1 | Very high | 66 Ų | 66 | 27 Ų | 27 | 26% | 0.259 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 178.4 | 173.9 | -92.2 | 0 | 0 | 0 | 112.6 | D906 H907 R913 S914 | D906-Y910 WeakPolarHBondContact O-CB 3.47Å; D906-Y910 PolarHBondContact O-N 2.54Å; H907-Y910 PolarHBondContact O-N 3.24Å; Y910-R913 WeakPolarHBondContact O-CB 3.2Å; Y910-S914 WeakPolarHBondContact O-CB 3.46Å; Y910-S914 PolarHBondContact O-N 3.47Å; Y910-S914 PolarHBondContact O-OG 2.74Å |
| 911 | Y | 89.7 | Confident | 89.9 | Confident | 51 Ų | 51 | 30.9 Ų | 30.9 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | 178.2 | -83 | -78.4 | 0 | 0 | 0 | 111.9 | F835 H907 R913 S914 I915 | F835-Y911 HydrophobicContact CB-CD1 3.9Å; F835-Y911 HydrophobicContact CB-CE1 3.66Å; F835-Y911 AromaticContact CD2-CD1 3.8Å; F835-Y911 HydrophobicContact CD2-CD1 3.8Å; F835-Y911 HydrophobicContact CD2-CE1 4.33Å; F835-Y911 HydrophobicContact CD2-CG 4.11Å; F835-Y911 HydrophobicContact CG-CD1 4.33Å; H907-Y911 AromaticContact CD2-CD2 3.44Å; H907-Y911 VanDerWaalsContact CD2-CD2 3.44Å; H907-Y911 WeakPolarHBondContact CD2-CD2 3.46Å; H907-Y911 AromaticContact CD2-CE2 3.62Å; H907-Y911 AromaticContact CE1-CE2 3.78Å; H907-Y911 AromaticContact NE2-CD2 3.56Å; H907-Y911 AromaticContact NE2-CE2 3.27Å; H907-Y911 VanDerWaalsContact NE2-CE2 3.27Å; H907-Y911 WeakPolarHBondContact NE2-CE2 3.5Å; H907-Y911 WeakPolarHBondContact O-CD2 3.39Å; H907-Y911 PolarHBondContact O-N 2.93Å; Y911-R913 PolarHBondContact O-N 2.74Å; Y911-S914 PolarHBondContact O-N 3.28Å; Y911-I915 WeakPolarHBondContact O-CB 3.2Å; Y911-I915 WeakPolarHBondContact O-CD1 3.22Å; Y911-I915 WeakPolarHBondContact O-CG1 3.43Å; Y911-I915 PolarHBondContact O-N 3.1Å |
| 912 | L | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.3 | -175 | 61.9 | 0 | 0 | 0 | 112.1 | I847 L850 T851 L854 C908 F909 M916 L971 L975 L988 | I847-L912 HydrophobicContact CB-CD1 4.49Å; I847-L912 HydrophobicContact CG1-CD1 4.46Å; I847-L912 HydrophobicContact CG2-CD1 4.1Å; L850-L912 HydrophobicContact CB-CB 4.36Å; L850-L912 HydrophobicContact CB-CD1 4.19Å; L850-L912 HydrophobicContact CD1-CB 4.4Å; T851-L912 HydrophobicContact CG2-CD1 4.21Å; T851-L912 HydrophobicContact CG2-CD2 3.81Å; L854-L912 HydrophobicContact CD2-CD2 4.11Å; C908-L912 WeakPolarHBondContact O-CB 3.48Å; C908-L912 PolarHBondContact O-N 3.49Å; C908-L912 VanDerWaalsContact O-N 3.08Å; F909-L912 PolarHBondContact O-N 3.09Å; L912-M916 VanDerWaalsContact O-CB 3.31Å; L912-M916 WeakPolarHBondContact O-CB 3.37Å; L912-M916 PolarHBondContact O-N 3.22Å; L912-L971 HydrophobicContact CD1-CD1 3.88Å; L912-L971 HydrophobicContact CD2-CD1 4.2Å; L912-L971 HydrophobicContact CG-CD1 4.21Å; L912-L975 HydrophobicContact CD2-CD2 4.06Å; L912-L988 HydrophobicContact CD2-CD2 3.67Å; L912-L988 HydrophobicContact CG-CD2 4.04Å |
| 913 | R | 91.5 | Very high | 89.1 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.3 | -52 | 170.1 | 178.8 | -161.7 | 79.4 | 128.9 | -5.2 | 111.3 | F909 Y910 Y911 M916 Y917 L988 L995 E1151 | F909-R913 WeakPolarHBondContact O-CB 3.49Å; F909-R913 PolarHBondContact O-N 3.38Å; Y910-R913 WeakPolarHBondContact O-CB 3.2Å; Y911-R913 PolarHBondContact O-N 2.74Å; R913-M916 PolarHBondContact O-N 2.92Å; R913-Y917 WeakPolarHBondContact O-CB 3.4Å; R913-Y917 PolarHBondContact O-N 3.02Å; R913-L988 HydrophobicContact CB-CD1 3.91Å; R913-L995 HydrophobicContact CG-CD1 4.34Å; R913-E1151 IonicContact CZ-OE1 3.63Å; R913-E1151 IonicContact NH1-OE1 3.7Å; R913-E1151 PolarHBondContact NH1-OE1 2.94Å; R913-E1151 IonicContact NH2-OE1 2.7Å; R913-E1151 PolarHBondContact NH2-OE1 3.1Å |
| 914 | S | 88.2 | Confident | 89 | Confident | 24 Ų | 24 | 27.7 Ų | 27.7 | 17% | 0.168 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | -172.7 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | Y910 Y911 S918 | Y910-S914 WeakPolarHBondContact O-CB 3.46Å; Y910-S914 PolarHBondContact O-N 3.47Å; Y910-S914 PolarHBondContact O-OG 2.74Å; Y911-S914 PolarHBondContact O-N 3.28Å; S914-S918 WeakPolarHBondContact O-CB 3.25Å; S914-S918 PolarHBondContact O-N 3.45Å; S914-S918 PolarHBondContact O-OG 2.97Å |
| 915 | I | 88.4 | Confident | 88.6 | Confident | 13 Ų | 13 | 29.7 Ų | 29.7 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.1 | -46.4 | 174.4 | -76.4 | 157.9 | 0 | 0 | 0 | 110.5 | F835 P843 L846 I847 L850 Y911 Y917 S918 I919 | F835-I915 HydrophobicContact CD2-CD1 4.18Å; F835-I915 HydrophobicContact CE2-CD1 4.19Å; P843-I915 HydrophobicContact CB-CG2 4.32Å; P843-I915 VanDerWaalsContact O-CG2 3.3Å; P843-I915 WeakPolarHBondContact O-CG2 3.43Å; L846-I915 HydrophobicContact CB-CD1 3.94Å; L846-I915 HydrophobicContact CD1-CD1 3.76Å; L846-I915 HydrophobicContact CD1-CG1 4.43Å; I847-I915 HydrophobicContact CG1-CG2 4.1Å; L850-I915 HydrophobicContact CD1-CD1 3.48Å; L850-I915 VanDerWaalsContact CD1-CD1 3.48Å; Y911-I915 WeakPolarHBondContact O-CB 3.2Å; Y911-I915 WeakPolarHBondContact O-CD1 3.22Å; Y911-I915 WeakPolarHBondContact O-CG1 3.43Å; Y911-I915 PolarHBondContact O-N 3.1Å; I915-Y917 VanDerWaalsContact C-N 3.34Å; I915-Y917 PolarHBondContact O-N 3.01Å; I915-S918 WeakPolarHBondContact O-CB 3.45Å; I915-S918 PolarHBondContact O-N 2.75Å; I915-I919 HydrophobicContact CG2-CD1 3.73Å; I915-I919 WeakPolarHBondContact O-CG1 3.34Å; I915-I919 PolarHBondContact O-N 3.17Å |
| 916 | M | 91 | Very high | 88 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 178.9 | -169.1 | 74.1 | -101.1 | 0 | 0 | 111.7 | L912 R913 I919 L920 N967 L971 L992 | L912-M916 VanDerWaalsContact O-CB 3.31Å; L912-M916 WeakPolarHBondContact O-CB 3.37Å; L912-M916 PolarHBondContact O-N 3.22Å; R913-M916 PolarHBondContact O-N 2.92Å; M916-I919 HydrophobicContact CE-CB 4.03Å; M916-I919 HydrophobicContact CE-CG2 3.84Å; M916-I919 PolarHBondContact O-N 2.72Å; M916-L920 HydrophobicContact CE-CD1 4.16Å; M916-L920 HydrophobicContact CE-CD2 4.2Å; M916-L920 HydrophobicContact CE-CG 3.8Å; M916-L920 HydrophobicContact CG-CD1 4.06Å; M916-L920 WeakPolarHBondContact O-CB 3.42Å; M916-L920 VanDerWaalsContact O-CG 3.26Å; M916-L920 WeakPolarHBondContact O-CG 3.37Å; M916-L920 PolarHBondContact O-N 2.75Å; M916-N967 HydrophobicContact CE-CB 3.84Å; M916-L971 HydrophobicContact CB-CD2 4.39Å; M916-L971 HydrophobicContact CG-CD2 3.77Å; M916-L971 HydrophobicContact SD-CB 3.96Å; M916-L971 HydrophobicContact SD-CD2 3.74Å; M916-L971 HydrophobicContact SD-CG 4.36Å; M916-L992 HydrophobicContact CB-CD1 4.34Å; M916-L992 HydrophobicContact CB-CD2 4.03Å; M916-L992 HydrophobicContact CG-CD1 3.85Å; M916-L992 HydrophobicContact CG-CD2 4.05Å |
| 917 | Y | 88.6 | Confident | 87.5 | Confident | 56 Ų | 56 | 26.3 Ų | 26.3 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 173.4 | -178.7 | -103 | 0 | 0 | 0 | 112 | R913 I915 I919 L920 Q921 L924 L995 | R913-Y917 WeakPolarHBondContact O-CB 3.4Å; R913-Y917 PolarHBondContact O-N 3.02Å; I915-Y917 VanDerWaalsContact C-N 3.34Å; I915-Y917 PolarHBondContact O-N 3.01Å; Y917-I919 VanDerWaalsContact C-N 3.29Å; Y917-I919 PolarHBondContact O-N 3.43Å; Y917-L920 PolarHBondContact O-N 3.19Å; Y917-L920 VanDerWaalsContact O-N 3.12Å; Y917-Q921 PolarHBondContact O-N 2.78Å; Y917-L924 HydrophobicContact CE2-CD1 3.99Å; Y917-L995 HydrophobicContact CD2-CB 3.87Å; Y917-L995 HydrophobicContact CD2-CD1 3.96Å; Y917-L995 HydrophobicContact CD2-CD2 3.94Å; Y917-L995 HydrophobicContact CD2-CG 4.16Å; Y917-L995 HydrophobicContact CE2-CB 3.98Å; Y917-L995 HydrophobicContact CE2-CD2 3.87Å; Y917-L995 HydrophobicContact CE2-CG 4.4Å; Y917-L995 HydrophobicContact CG-CD1 4.23Å; Y917-L995 HydrophobicContact CG-CD2 4.41Å |
| 918 | S | 86.1 | Confident | 87 | Confident | 54 Ų | 54 | 26.2 Ų | 26.2 | 38% | 0.378 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | S914 I915 P922 | S914-S918 WeakPolarHBondContact O-CB 3.25Å; S914-S918 PolarHBondContact O-N 3.45Å; S914-S918 PolarHBondContact O-OG 2.97Å; I915-S918 WeakPolarHBondContact O-CB 3.45Å; I915-S918 PolarHBondContact O-N 2.75Å; S918-P922 WeakPolarHBondContact O-CD 3.36Å |
| 919 | I | 86 | Confident | 86.2 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.1 | -33.8 | 176.5 | -69.6 | 164.8 | 0 | 0 | 0 | 111.7 | P843 I847 I915 M916 Y917 P948 W952 N967 | P843-I919 HydrophobicContact CG-CG1 4.41Å; I847-I919 HydrophobicContact CD1-CD1 3.91Å; I915-I919 HydrophobicContact CG2-CD1 3.73Å; I915-I919 WeakPolarHBondContact O-CG1 3.34Å; I915-I919 PolarHBondContact O-N 3.17Å; M916-I919 HydrophobicContact CE-CB 4.03Å; M916-I919 HydrophobicContact CE-CG2 3.84Å; M916-I919 PolarHBondContact O-N 2.72Å; Y917-I919 VanDerWaalsContact C-N 3.29Å; Y917-I919 PolarHBondContact O-N 3.43Å; I919-P948 HydrophobicContact CG2-CB 4.11Å; I919-W952 HydrophobicContact CG1-CE3 4.37Å; I919-W952 HydrophobicContact CG1-CZ3 4.27Å; I919-N967 VanDerWaalsContact CG2-OD1 3.24Å; I919-N967 WeakPolarHBondContact CG2-OD1 3.28Å |
| 920 | L | 87 | Confident | 85.1 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -79.8 | -32.1 | 178.9 | -70.5 | 169.3 | 0 | 0 | 0 | 113.1 | M916 Y917 P922 W923 L924 I964 N967 F968 | M916-L920 HydrophobicContact CE-CD1 4.16Å; M916-L920 HydrophobicContact CE-CD2 4.2Å; M916-L920 HydrophobicContact CE-CG 3.8Å; M916-L920 HydrophobicContact CG-CD1 4.06Å; M916-L920 WeakPolarHBondContact O-CB 3.42Å; M916-L920 VanDerWaalsContact O-CG 3.26Å; M916-L920 WeakPolarHBondContact O-CG 3.37Å; M916-L920 PolarHBondContact O-N 2.75Å; Y917-L920 PolarHBondContact O-N 3.19Å; Y917-L920 VanDerWaalsContact O-N 3.12Å; L920-P922 VanDerWaalsContact C-CD 3.46Å; L920-W923 WeakPolarHBondContact O-CA 3.39Å; L920-W923 PolarHBondContact O-N 3.16Å; L920-L924 HydrophobicContact CB-CD2 4.31Å; L920-L924 PolarHBondContact O-N 2.8Å; L920-L924 VanDerWaalsContact O-N 3.08Å; L920-I964 HydrophobicContact CD2-CB 4.32Å; L920-I964 HydrophobicContact CD2-CG1 4.18Å; L920-I964 HydrophobicContact CD2-CG2 4.07Å; L920-N967 HydrophobicContact CD2-CB 4.05Å; L920-F968 HydrophobicContact CD1-CD1 4.19Å; L920-F968 HydrophobicContact CD1-CE1 3.56Å; L920-F968 HydrophobicContact CD1-CZ 4.22Å |
| 921 | Q | 85.8 | Confident | 84.1 | Confident | 109 Ų | 109 | 32 Ų | 32 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -44.6 | -172.4 | -170.4 | -173.9 | -7.6 | 0 | 0 | 114.4 | Y917 W923 L924 | Y917-Q921 PolarHBondContact O-N 2.78Å; Q921-W923 PolarHBondContact O-N 3.4Å; Q921-L924 PolarHBondContact O-N 3.33Å |
| 922 | P | 82.2 | Confident | 83.2 | Confident | 50 Ų | 50 | 32.1 Ų | 32.1 | 33% | 0.325 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.2 | 177.6 | -23 | 35 | 0 | 0 | 0 | 113.8 | S918 L920 M959 | S918-P922 WeakPolarHBondContact O-CD 3.36Å; L920-P922 VanDerWaalsContact C-CD 3.46Å; P922-M959 VanDerWaalsContact O-CE 3.25Å; P922-M959 WeakPolarHBondContact O-CE 3.26Å |
| 923 | W | 81.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -17.1 | -177 | -52.5 | 102.8 | 0 | 0 | 0 | 113.1 | L920 Q921 P925 C926 I963 I964 | L920-W923 WeakPolarHBondContact O-CA 3.39Å; L920-W923 PolarHBondContact O-N 3.16Å; Q921-W923 PolarHBondContact O-N 3.4Å; W923-P925 VanDerWaalsContact C-N 3.3Å; W923-C926 WeakPolarHBondContact O-CB 3.43Å; W923-C926 PolarHBondContact O-N 3.4Å; W923-C926 PolarHBondContact O-SG 2.73Å; W923-I963 HydrophobicContact CD2-CB 4.42Å; W923-I963 HydrophobicContact CD2-CD1 4.3Å; W923-I963 HydrophobicContact CD2-CG2 3.89Å; W923-I963 HydrophobicContact CE3-CD1 3.79Å; W923-I963 HydrophobicContact CE3-CG2 4.42Å; W923-I963 HydrophobicContact CG-CG2 4.12Å; W923-I963 HydrophobicContact CH2-CD1 3.66Å; W923-I963 HydrophobicContact CZ2-CD1 4.17Å; W923-I963 HydrophobicContact CZ2-CG2 4.3Å; W923-I963 HydrophobicContact CZ3-CD1 3.45Å; W923-I963 VanDerWaalsContact CZ3-CD1 3.45Å; W923-I964 HydrophobicContact CB-CD1 4.34Å; W923-I964 HydrophobicContact CB-CG1 4Å |
| 924 | L | 87.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -52.3 | -37.5 | -179.7 | -64.6 | -177.9 | 0 | 0 | 0 | 114.2 | Y917 L920 Q921 C926 L927 I964 I996 Y999 | Y917-L924 HydrophobicContact CE2-CD1 3.99Å; L920-L924 HydrophobicContact CB-CD2 4.31Å; L920-L924 PolarHBondContact O-N 2.8Å; L920-L924 VanDerWaalsContact O-N 3.08Å; Q921-L924 PolarHBondContact O-N 3.33Å; L924-C926 PolarHBondContact O-N 2.81Å; L924-C926 VanDerWaalsContact O-N 3.08Å; L924-L927 HydrophobicContact CD2-CD1 4.28Å; L924-L927 VanDerWaalsContact O-CB 3.28Å; L924-L927 WeakPolarHBondContact O-CB 3.48Å; L924-L927 WeakPolarHBondContact O-CG 3.11Å; L924-L927 PolarHBondContact O-N 3.1Å; L924-I964 HydrophobicContact CD2-CD1 4.45Å; L924-I996 HydrophobicContact CD2-CD1 4.16Å; L924-I996 HydrophobicContact CD2-CG1 3.83Å; L924-Y999 HydrophobicContact CB-CD1 3.79Å; L924-Y999 HydrophobicContact CB-CE1 3.51Å; L924-Y999 HydrophobicContact CB-CE2 4.46Å; L924-Y999 HydrophobicContact CB-CG 4.39Å; L924-Y999 HydrophobicContact CD1-CD1 4.02Å; L924-Y999 HydrophobicContact CD1-CD2 4.14Å; L924-Y999 HydrophobicContact CD1-CE1 4.47Å; L924-Y999 HydrophobicContact CD1-CG 3.85Å; L924-Y999 HydrophobicContact CG-CD1 4.43Å |
| 925 | P | 84.2 | Confident | 79.2 | Confident | 42 Ų | 42 | 38.8 Ų | 38.8 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -68 | -3.8 | 176.3 | -9.4 | 20.2 | 0 | 0 | 0 | 115 | W923 L927 T928 Y929 M959 Y999 | W923-P925 VanDerWaalsContact C-N 3.3Å; P925-L927 PolarHBondContact O-N 3.13Å; P925-T928 WeakPolarHBondContact CA-OG1 3.48Å; P925-T928 CarbonylContact O-C 3.04Å; P925-T928 PolarHBondContact O-N 2.87Å; P925-T928 PolarHBondContact O-OG1 3.22Å; P925-T928 VanDerWaalsContact O-OG1 3.12Å; P925-Y929 PolarHBondContact O-N 2.78Å; P925-M959 HydrophobicContact CB-CE 3.51Å; P925-M959 HydrophobicContact CG-CE 3.57Å; P925-Y999 WeakPolarHBondContact CG-OH 3.42Å |
| 926 | C | 79.9 | Confident | 77.6 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -64.5 | -32.6 | 165.9 | 77.5 | 0 | 0 | 0 | 0 | 111.8 | W923 L924 T928 Y929 M959 M961 I964 R1034 | W923-C926 WeakPolarHBondContact O-CB 3.43Å; W923-C926 PolarHBondContact O-N 3.4Å; W923-C926 PolarHBondContact O-SG 2.73Å; L924-C926 PolarHBondContact O-N 2.81Å; L924-C926 VanDerWaalsContact O-N 3.08Å; C926-T928 PolarHBondContact O-N 3.3Å; C926-Y929 PolarHBondContact O-N 3.44Å; C926-M959 HydrophobicContact CB-CB 4.43Å; C926-M959 HydrophobicContact CB-CG 3.71Å; C926-M959 WeakPolarHBondContact CB-O 3.29Å; C926-M961 VanDerWaalsContact SG-CA 3.6Å; C926-I964 VanDerWaalsContact SG-CD1 3.52Å; C926-R1034 PolarHBondContact O-NH1 3.38Å |
| 927 | L | 82.4 | Confident | 75.7 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.9 | 176.7 | -53.8 | 175.2 | 0 | 0 | 0 | 110 | L924 P925 M961 I964 I996 I1000 R1034 I1038 | L924-L927 HydrophobicContact CD2-CD1 4.28Å; L924-L927 VanDerWaalsContact O-CB 3.28Å; L924-L927 WeakPolarHBondContact O-CB 3.48Å; L924-L927 WeakPolarHBondContact O-CG 3.11Å; L924-L927 PolarHBondContact O-N 3.1Å; P925-L927 PolarHBondContact O-N 3.13Å; L927-M961 HydrophobicContact CD2-CE 3.41Å; L927-M961 VanDerWaalsContact CD2-CE 3.41Å; L927-M961 HydrophobicContact CD2-CG 4.21Å; L927-M961 HydrophobicContact CD2-SD 3.97Å; L927-I964 HydrophobicContact CD1-CD1 4.14Å; L927-I964 HydrophobicContact CD2-CD1 4.05Å; L927-I964 HydrophobicContact CG-CD1 4.03Å; L927-I996 HydrophobicContact CD1-CG2 3.74Å; L927-I1000 HydrophobicContact CB-CD1 4.45Å; L927-I1000 HydrophobicContact CD1-CD1 4.06Å; L927-I1000 HydrophobicContact CD1-CG1 4.46Å; L927-R1034 WeakPolarHBondContact O-CD 3.36Å; L927-R1034 PolarHBondContact O-NH1 3.17Å; L927-I1038 HydrophobicContact CD2-CD1 4.27Å |
| 928 | T | 78.3 | Confident | 73.8 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 10.3 | -173 | 82.3 | 0 | 0 | 0 | 0 | 112.8 | P925 C926 Y999 V1004 W1022 | P925-T928 WeakPolarHBondContact CA-OG1 3.48Å; P925-T928 CarbonylContact O-C 3.04Å; P925-T928 PolarHBondContact O-N 2.87Å; P925-T928 PolarHBondContact O-OG1 3.22Å; P925-T928 VanDerWaalsContact O-OG1 3.12Å; C926-T928 PolarHBondContact O-N 3.3Å; T928-Y999 HydrophobicContact CG2-CE1 3.75Å; T928-V1004 HydrophobicContact CG2-CG2 3.25Å; T928-W1022 VanDerWaalsContact C-CZ2 3.44Å; T928-W1022 WeakPolarHBondContact O-CZ2 3.24Å |
| 929 | Y | 76.2 | Confident | 72 | Confident | 101 Ų | 101 | 47.5 Ų | 47.5 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | trans | -75.4 | 126.4 | -178 | 176.3 | -99.9 | 0 | 0 | 0 | 111.4 | P925 C926 G931 L933 W1022 R1034 | P925-Y929 PolarHBondContact O-N 2.78Å; C926-Y929 PolarHBondContact O-N 3.44Å; Y929-G931 WeakPolarHBondContact CD1-O 3.36Å; Y929-G931 PolarHBondContact O-N 3.18Å; Y929-L933 HydrophobicContact CD1-CB 4.43Å; Y929-L933 HydrophobicContact CE1-CB 4.21Å; Y929-L933 HydrophobicContact CE1-CD1 3.99Å; Y929-L933 HydrophobicContact CE1-CG 4.5Å; Y929-W1022 WeakPolarHBondContact O-CH2 3.48Å; Y929-W1022 WeakPolarHBondContact O-CZ2 3.15Å; Y929-R1034 PolarHBondContact O-NH1 2.87Å; Y929-R1034 PolarHBondContact O-NH2 3.22Å | ||
| 930 | P | 69 | Low | 70.3 | Confident | 69 Ų | 69 | 53 Ų | 53 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -68.5 | -27.3 | -167.3 | 24.2 | -34.7 | 0 | 0 | 0 | 115.4 | L1021 R1030 | P930-L1021 HydrophobicContact CB-CD2 3.45Å; P930-L1021 VanDerWaalsContact CB-CD2 3.45Å; P930-R1030 WeakPolarHBondContact O-CD 3.49Å; P930-R1030 PolarHBondContact O-NH1 3.47Å |
| 931 | G | 71 | Confident | 68.7 | Low | 21 Ų | 21 | 55.8 Ų | 55.8 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -84.9 | 161 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y929 L933 R1034 | Y929-G931 WeakPolarHBondContact CD1-O 3.36Å; Y929-G931 PolarHBondContact O-N 3.18Å; G931-L933 PolarHBondContact O-N 3.1Å; G931-L933 VanDerWaalsContact O-N 3.07Å; G931-R1034 PolarHBondContact O-NH2 3.39Å |
| 932 | D | 69.8 | Low | 67.5 | Low | 53 Ų | 53 | 53.8 Ų | 53.8 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | trans | -80.2 | 37.1 | -179.7 | -75.7 | -61.5 | 0 | 0 | 0 | 114.5 | D934 L935 R1030 R1033 | D932-D934 PolarHBondContact O-N 3.44Å; D932-D934 VanDerWaalsContact O-N 3.16Å; D932-L935 HydrophobicContact CB-CD1 3.85Å; D932-L935 HydrophobicContact CB-CG 4.1Å; D932-L935 WeakPolarHBondContact O-CB 3.39Å; D932-L935 PolarHBondContact O-N 3.3Å; D932-R1030 WeakPolarHBondContact OD1-CG 3.36Å; D932-R1030 IonicContact OD1-CZ 2.73Å; D932-R1030 IonicContact OD1-NE 3.05Å; D932-R1030 PolarHBondContact OD1-NE 3.48Å; D932-R1030 IonicContact OD2-CZ 3.44Å; D932-R1030 IonicContact OD2-NE 3.8Å; D932-R1030 PolarHBondContact OD2-NE 2.81Å; D932-R1030 IonicContact OD2-NH2 2.79Å; D932-R1030 PolarHBondContact OD2-NH2 3.18Å; D932-R1033 IonicContact OD1-CZ 3.91Å; D932-R1033 IonicContact OD1-NH1 3.82Å; D932-R1033 PolarHBondContact OD1-NH1 3.33Å; D932-R1033 IonicContact OD1-NH2 3.53Å; D932-R1033 PolarHBondContact OD1-NH2 3.29Å | ||
| 933 | L | 60.6 | Low | 66.7 | Low | 84 Ų | 84 | 52.8 Ų | 52.8 | 44% | 0.44 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.1 | 178.1 | -116.7 | 73.8 | 0 | 0 | 0 | 112 | Y929 G931 L935 Q936 | Y929-L933 HydrophobicContact CD1-CB 4.43Å; Y929-L933 HydrophobicContact CE1-CB 4.21Å; Y929-L933 HydrophobicContact CE1-CD1 3.99Å; Y929-L933 HydrophobicContact CE1-CG 4.5Å; G931-L933 PolarHBondContact O-N 3.1Å; G931-L933 VanDerWaalsContact O-N 3.07Å; L933-L935 PolarHBondContact O-N 3.49Å; L933-Q936 PolarHBondContact O-N 2.78Å |
| 934 | D | 64.5 | Low | 66.3 | Low | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69 | -11.5 | 179.2 | 57.6 | -50.6 | 0 | 0 | 0 | 114.7 | D932 Q936 R1033 R1034 | D932-D934 PolarHBondContact O-N 3.44Å; D932-D934 VanDerWaalsContact O-N 3.16Å; D934-Q936 VanDerWaalsContact C-N 3.31Å; D934-R1033 IonicContact OD1-CZ 3.9Å; D934-R1033 IonicContact OD1-NH2 2.64Å; D934-R1033 PolarHBondContact OD1-NH2 3.49Å; D934-R1033 IonicContact OD2-CZ 3.3Å; D934-R1033 VanDerWaalsContact OD2-CZ 3.27Å; D934-R1033 IonicContact OD2-NE 2.72Å; D934-R1033 PolarHBondContact OD2-NE 2.61Å; D934-R1033 IonicContact OD2-NH2 3.91Å; D934-R1033 PolarHBondContact OD2-NH2 2.88Å; D934-R1034 IonicContact OD1-CZ 3.32Å; D934-R1034 IonicContact OD1-NE 3.37Å; D934-R1034 PolarHBondContact OD1-NE 3.26Å; D934-R1034 IonicContact OD1-NH2 3.53Å; D934-R1034 PolarHBondContact OD1-NH2 3.37Å; D934-R1034 VanDerWaalsContact OD2-CG 3.31Å; D934-R1034 WeakPolarHBondContact OD2-CG 3.36Å; D934-R1034 IonicContact OD2-CZ 2.86Å; D934-R1034 IonicContact OD2-NE 3.57Å; D934-R1034 PolarHBondContact OD2-NE 3.41Å; D934-R1034 IonicContact OD2-NH2 2.95Å |
| 935 | L | 63.1 | Low | 65.6 | Low | 97 Ų | 97 | 60.6 Ų | 60.6 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.9 | -26.4 | 166.9 | -76.3 | -178.8 | 0 | 0 | 0 | 112.9 | D932 L933 | D932-L935 HydrophobicContact CB-CD1 3.85Å; D932-L935 HydrophobicContact CB-CG 4.1Å; D932-L935 WeakPolarHBondContact O-CB 3.39Å; D932-L935 PolarHBondContact O-N 3.3Å; L933-L935 PolarHBondContact O-N 3.49Å |
| 936 | Q | 54.1 | Low | 64.9 | Low | 153 Ų | 153 | 61.1 Ų | 61.1 | 72% | 0.715 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -83.3 | -37.7 | 178.9 | -57.7 | -173.9 | 12.5 | 0 | 0 | 110.8 | L933 D934 D938 | L933-Q936 PolarHBondContact O-N 2.78Å; D934-Q936 VanDerWaalsContact C-N 3.31Å; Q936-D938 VanDerWaalsContact C-N 3.28Å; Q936-D938 PolarHBondContact O-N 2.81Å |
| 937 | D | 51.5 | Low | 64.4 | Low | 48 Ų | 48 | 62.3 Ų | 62.3 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -23 | 177.8 | -77.7 | 0.4 | 0 | 0 | 0 | 113.7 | V939 L940 S960 R1037 | D937-V939 PolarHBondContact O-N 3.36Å; D937-L940 PolarHBondContact O-N 3.03Å; D937-S960 PolarHBondContact OD2-OG 2.85Å; D937-R1037 VanDerWaalsContact CB-NH2 3.33Å; D937-R1037 PolarHBondContact O-NH2 3.48Å; D937-R1037 IonicContact OD2-NH1 3.88Å |
| 938 | D | 50 | Low | 63.7 | Low | 53 Ų | 53 | 62.2 Ų | 62.2 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.9 | -176.1 | -93 | -15.3 | 0 | 0 | 0 | 113.6 | Q936 L940 R1037 | Q936-D938 VanDerWaalsContact C-N 3.28Å; Q936-D938 PolarHBondContact O-N 2.81Å; D938-L940 VanDerWaalsContact C-N 3.35Å; D938-R1037 VanDerWaalsContact N-NH2 3.17Å; D938-R1037 IonicContact OD1-CZ 3.03Å; D938-R1037 IonicContact OD1-NE 2.97Å; D938-R1037 PolarHBondContact OD1-NE 2.89Å; D938-R1037 IonicContact OD1-NH2 2.82Å; D938-R1037 PolarHBondContact OD1-NH2 3.34Å |
| 939 | V | 48 | Very low | 63.2 | Low | 53 Ų | 53 | 62.5 Ų | 62.5 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -15.9 | 173.3 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | Y259 P268 D937 | Y259-V939 HydrophobicContact CD1-CG1 4.46Å; P268-V939 HydrophobicContact CB-CG1 4.16Å; D937-V939 PolarHBondContact O-N 3.36Å |
| 940 | L | 50.1 | Low | 62.6 | Low | 118 Ų | 118 | 63.4 Ų | 63.4 | 62% | 0.618 | 34% | 0.337 | S | S | * | . | trans | -135.4 | 28.8 | -163 | -108.2 | 165.9 | 0 | 0 | 0 | 114.8 | D937 D938 D942 | D937-L940 PolarHBondContact O-N 3.03Å; D938-L940 VanDerWaalsContact C-N 3.35Å; L940-D942 VanDerWaalsContact C-N 3.29Å; L940-D942 PolarHBondContact O-N 2.82Å | ||
| 941 | L | 53.1 | Low | 62.3 | Low | 62 Ų | 62 | 60.6 Ų | 60.6 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | trans | -61.6 | 79.3 | 172.9 | -79.8 | 154.1 | 0 | 0 | 0 | 112.9 | L965 | L941-L965 HydrophobicContact CD2-CD1 4.03Š| ||
| 942 | D | 60.6 | Low | 61.7 | Low | 67 Ų | 67 | 63.3 Ų | 63.3 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | trans | -100.7 | 88.2 | 172.6 | -159.2 | -10.3 | 0 | 0 | 0 | 109.5 | L940 K944 Q962 Q966 | L940-D942 VanDerWaalsContact C-N 3.29Å; L940-D942 PolarHBondContact O-N 2.82Å; D942-K944 PolarHBondContact O-N 2.97Å; D942-K944 WeakPolarHBondContact OD1-CD 3.48Å; D942-K944 WeakPolarHBondContact OD1-CE 3.29Å; D942-K944 VanDerWaalsContact OD1-CG 3.24Å; D942-K944 WeakPolarHBondContact OD1-CG 3.45Å; D942-K944 IonicContact OD1-NZ 2.69Å; D942-K944 PolarHBondContact OD1-NZ 3.38Å; D942-K944 WeakPolarHBondContact OD2-CE 3.38Å; D942-K944 IonicContact OD2-NZ 2.68Å; D942-K944 PolarHBondContact OD2-NZ 2.93Å; D942-Q962 PolarHBondContact O-NE2 2.74Å; D942-Q966 PolarHBondContact O-NE2 2.74Å | ||
| 943 | D | 65.9 | Low | 61 | Low | 30 Ų | 30 | 67.1 Ų | 67.1 | 16% | 0.16 | 34% | 0.343 | C | S | . | . | trans | -61 | 2.3 | -176.6 | -73.7 | -8 | 0 | 0 | 0 | 114.3 | T969 R1044 | D943-T969 VanDerWaalsContact O-CB 3.31Å; D943-T969 WeakPolarHBondContact O-CB 3.31Å; D943-T969 WeakPolarHBondContact O-CG2 3.3Å; D943-T969 PolarHBondContact O-OG1 3.21Å; D943-R1044 IonicContact OD1-NH2 3.86Å; D943-R1044 PolarHBondContact OD1-NH2 3.29Å; D943-R1044 IonicContact OD2-CZ 3.05Å; D943-R1044 VanDerWaalsContact OD2-CZ 3.22Å; D943-R1044 IonicContact OD2-NE 3.75Å; D943-R1044 PolarHBondContact OD2-NE 3.47Å; D943-R1044 IonicContact OD2-NH2 3.42Å; D943-R1044 PolarHBondContact OD2-NH2 2.9Å | ||
| 944 | K | 72.6 | Confident | 60.8 | Low | 131 Ų | 131 | 66.9 Ų | 66.9 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 136.9 | -177.3 | -81 | 167.8 | -163.1 | 148.7 | 0 | 112.1 | D942 I946 Q966 | D942-K944 PolarHBondContact O-N 2.97Å; D942-K944 WeakPolarHBondContact OD1-CD 3.48Å; D942-K944 WeakPolarHBondContact OD1-CE 3.29Å; D942-K944 VanDerWaalsContact OD1-CG 3.24Å; D942-K944 WeakPolarHBondContact OD1-CG 3.45Å; D942-K944 IonicContact OD1-NZ 2.69Å; D942-K944 PolarHBondContact OD1-NZ 3.38Å; D942-K944 WeakPolarHBondContact OD2-CE 3.38Å; D942-K944 IonicContact OD2-NZ 2.68Å; D942-K944 PolarHBondContact OD2-NZ 2.93Å; K944-I946 PolarHBondContact O-N 2.68Å; K944-Q966 VanDerWaalsContact O-CG 3.22Å; K944-Q966 WeakPolarHBondContact O-CG 3.4Å |
| 945 | P | 72.9 | Confident | 60.2 | Low | 48 Ų | 48 | 72.2 Ų | 72.2 | 31% | 0.312 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 130.4 | 176.9 | 31.2 | -37.9 | 0 | 0 | 0 | 109.5 | Y970 | P945-Y970 HydrophobicContact CB-CD2 4.26Š|
| 946 | I | 70 | Confident | 59.5 | Low | 53 Ų | 53 | 77.2 Ų | 77.2 | 27% | 0.272 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 139.7 | 157.4 | -57.8 | -175.9 | 0 | 0 | 0 | 105.7 | K944 P948 E950 T951 Q966 Y970 | K944-I946 PolarHBondContact O-N 2.68Å; I946-P948 WeakPolarHBondContact O-CD 3.5Å; I946-E950 HydrophobicContact CG2-CB 4.28Å; I946-T951 HydrophobicContact CG2-CG2 3.92Å; I946-Q966 HydrophobicContact CG1-CB 4.47Å; I946-Y970 WeakPolarHBondContact O-CD2 3.17Å |
| 947 | D | 69.4 | Low | 59.4 | Low | 31 Ų | 31 | 73 Ų | 73 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -71 | 121.2 | 173 | -164 | -58.5 | 0 | 0 | 0 | 108.1 | K848 S949 E950 Y970 | K848-D947 IonicContact NZ-OD2 3.99Å; K848-D947 PolarHBondContact NZ-OD2 2.89Å; D947-S949 PolarHBondContact O-N 3.26Å; D947-S949 WeakPolarHBondContact OD1-CB 3.47Å; D947-S949 PolarHBondContact OD1-N 2.82Å; D947-S949 PolarHBondContact OD1-OG 2.73Å; D947-E950 WeakPolarHBondContact O-CB 2.98Å; D947-E950 PolarHBondContact O-N 3.28Å; D947-Y970 HydrophobicContact CB-CD2 4.47Å; D947-Y970 HydrophobicContact CB-CE2 3.8Å; D947-Y970 VanDerWaalsContact CG-CE2 3.46Å; D947-Y970 PolarHBondContact OD1-OH 3.27Å; D947-Y970 WeakPolarHBondContact OD2-CE2 3.48Å; D947-Y970 VanDerWaalsContact OD2-CZ 3.31Å; D947-Y970 PolarHBondContact OD2-OH 3.39Å |
| 948 | P | 68.3 | Low | 59.5 | Low | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.1 | -16.8 | -171.8 | 12.1 | -20.4 | 0 | 0 | 0 | 113.8 | I847 I919 I946 E950 T951 W952 N967 Y970 | I847-P948 HydrophobicContact CD1-CG 3.83Å; I919-P948 HydrophobicContact CG2-CB 4.11Å; I946-P948 WeakPolarHBondContact O-CD 3.5Å; P948-E950 VanDerWaalsContact C-N 3.29Å; P948-E950 PolarHBondContact O-N 3.39Å; P948-T951 WeakPolarHBondContact CA-OG1 3.15Å; P948-T951 PolarHBondContact O-N 3.03Å; P948-T951 PolarHBondContact O-OG1 2.91Å; P948-W952 WeakPolarHBondContact O-CB 3.15Å; P948-W952 PolarHBondContact O-N 2.99Å; P948-N967 WeakPolarHBondContact CB-OD1 3.24Å; P948-Y970 VanDerWaalsContact CD-CE1 3.5Å; P948-Y970 VanDerWaalsContact CD-CZ 3.5Å; P948-Y970 HydrophobicContact CG-CD1 3.9Å; P948-Y970 HydrophobicContact CG-CE1 3.84Å; P948-Y970 HydrophobicContact CG-CG 4.41Å |
| 949 | S | 66.3 | Low | 60 | Low | 31 Ų | 31 | 76.7 Ų | 76.7 | 22% | 0.217 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.8 | -34.7 | 171.1 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | N842 S844 D947 | N842-S949 PolarHBondContact ND2-O 3.47Å; S844-S949 VanDerWaalsContact CB-N 3.34Å; S844-S949 WeakPolarHBondContact OG-CA 3.19Å; S844-S949 VanDerWaalsContact OG-CB 3.29Å; S844-S949 WeakPolarHBondContact OG-CB 3.29Å; S844-S949 PolarHBondContact OG-N 3.35Å; D947-S949 PolarHBondContact O-N 3.26Å; D947-S949 WeakPolarHBondContact OD1-CB 3.47Å; D947-S949 PolarHBondContact OD1-N 2.82Å; D947-S949 PolarHBondContact OD1-OG 2.73Å |
| 950 | E | 64.8 | Low | 61.2 | Low | 121 Ų | 121 | 75.3 Ų | 75.3 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -73.6 | -34.8 | 176.1 | -62.2 | -175.6 | -179.6 | 0 | 0 | 112.6 | I946 D947 P948 K954 | I946-E950 HydrophobicContact CG2-CB 4.28Å; D947-E950 WeakPolarHBondContact O-CB 2.98Å; D947-E950 PolarHBondContact O-N 3.28Å; P948-E950 VanDerWaalsContact C-N 3.29Å; P948-E950 PolarHBondContact O-N 3.39Å; E950-K954 WeakPolarHBondContact O-CD 3.04Å; E950-K954 WeakPolarHBondContact O-CG 3.47Å |
| 951 | T | 62.4 | Low | 62.6 | Low | 10 Ų | 10 | 70 Ų | 70 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -80.9 | -29.6 | 180 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | I946 P948 N953 K954 | I946-T951 HydrophobicContact CG2-CG2 3.92Å; P948-T951 WeakPolarHBondContact CA-OG1 3.15Å; P948-T951 PolarHBondContact O-N 3.03Å; P948-T951 PolarHBondContact O-OG1 2.91Å; T951-N953 VanDerWaalsContact C-N 3.29Å; T951-N953 PolarHBondContact O-N 3.15Å; T951-K954 PolarHBondContact O-N 2.88Å |
| 952 | W | 58.7 | Low | 63.9 | Low | 78 Ų | 78 | 67.9 Ų | 67.9 | 30% | 0.295 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.2 | -39.9 | -178 | -176 | -95.9 | 0 | 0 | 0 | 112.5 | N842 P843 I919 P948 K954 H955 | N842-W952 VanDerWaalsContact CG-CD1 3.5Å; N842-W952 WeakPolarHBondContact ND2-CB 3.19Å; N842-W952 VanDerWaalsContact OD1-CG 3.3Å; P843-W952 HydrophobicContact CG-CD2 4.31Å; P843-W952 HydrophobicContact CG-CE3 4.08Å; P843-W952 HydrophobicContact CG-CH2 3.62Å; P843-W952 HydrophobicContact CG-CZ2 3.84Å; P843-W952 HydrophobicContact CG-CZ3 3.74Å; I919-W952 HydrophobicContact CG1-CE3 4.37Å; I919-W952 HydrophobicContact CG1-CZ3 4.27Å; P948-W952 WeakPolarHBondContact O-CB 3.15Å; P948-W952 PolarHBondContact O-N 2.99Å; W952-K954 PolarHBondContact O-N 3.26Å; W952-H955 PolarHBondContact O-CD2 2.71Å; W952-H955 VanDerWaalsContact O-CD2 3.26Å; W952-H955 PolarHBondContact O-NE2 3.27Å |
| 953 | N | 54.9 | Low | 64.9 | Low | 133 Ų | 133 | 65.3 Ų | 65.3 | 71% | 0.711 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 3.4 | 177.9 | -67.2 | -14.8 | 0 | 0 | 0 | 113.6 | T951 | T951-N953 VanDerWaalsContact C-N 3.29Å; T951-N953 PolarHBondContact O-N 3.15Å |
| 954 | K | 55.4 | Low | 66 | Low | 78 Ų | 78 | 63.9 Ų | 63.9 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | trans | -114.3 | 47.8 | -174.6 | -69 | -178.8 | 170.5 | -166.4 | 0 | 113.4 | E950 T951 W952 K956 E957 | E950-K954 WeakPolarHBondContact O-CD 3.04Å; E950-K954 WeakPolarHBondContact O-CG 3.47Å; T951-K954 PolarHBondContact O-N 2.88Å; W952-K954 PolarHBondContact O-N 3.26Å; K954-K956 PolarHBondContact O-N 3.14Å; K954-E957 HydrophobicContact CD-CG 4.5Å; K954-E957 IonicContact NZ-OE1 2.68Å; K954-E957 PolarHBondContact NZ-OE1 3.35Å; K954-E957 PolarHBondContact O-N 3.12Å | ||
| 955 | H | 53 | Low | 66.8 | Low | 120 Ų | 120 | 57.7 Ų | 57.7 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 32.2 | 168.7 | -67.1 | -68.4 | 0 | 0 | 0 | 114.6 | W952 | W952-H955 PolarHBondContact O-CD2 2.71Å; W952-H955 VanDerWaalsContact O-CD2 3.26Å; W952-H955 PolarHBondContact O-NE2 3.27Å |
| 956 | K | 48.1 | Very low | 67.5 | Low | 202 Ų | 202 | 56.5 Ų | 56.5 | 88% | 0.878 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.5 | -5 | 178.1 | -69.2 | -170.1 | 176.4 | -176 | 0 | 114.2 | K954 | K954-K956 PolarHBondContact O-N 3.14Š|
| 957 | E | 52 | Low | 68.4 | Low | 65 Ų | 65 | 54.1 Ų | 54.1 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -78.9 | 148.8 | 169.5 | -73.4 | -170 | -174.3 | 0 | 0 | 109.8 | R312 K954 | R312-E957 IonicContact CZ-OE1 3.98Å; R312-E957 IonicContact NH1-OE1 2.85Å; R312-E957 PolarHBondContact NH1-OE1 3.32Å; R312-E957 VanDerWaalsContact NH1-OE1 3.09Å; R312-E957 IonicContact NH1-OE2 2.69Å; R312-E957 IonicContact NH2-OE1 2.61Å; R312-E957 PolarHBondContact NH2-OE1 2.87Å; K954-E957 HydrophobicContact CD-CG 4.5Å; K954-E957 IonicContact NZ-OE1 2.68Å; K954-E957 PolarHBondContact NZ-OE1 3.35Å; K954-E957 PolarHBondContact O-N 3.12Å |
| 958 | P | 53.1 | Low | 69.6 | Low | 100 Ų | 100 | 52.7 Ų | 52.7 | 65% | 0.649 | 26% | 0.259 | S | S | * | . | trans | -64.8 | 152.9 | -173 | 26.2 | -35.1 | 0 | 0 | 0 | 112.8 | S960 | P958-S960 VanDerWaalsContact C-N 3.28Å; P958-S960 PolarHBondContact O-N 2.64Å | ||
| 959 | M | 60.7 | Low | 70.7 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 39% | 0.389 | 26% | 0.262 | S | S | . | . | trans | -71 | 67.7 | -169.1 | -154.4 | 96.7 | 149.4 | 0 | 0 | 113.4 | P922 P925 C926 | P922-M959 VanDerWaalsContact O-CE 3.25Å; P922-M959 WeakPolarHBondContact O-CE 3.26Å; P925-M959 HydrophobicContact CB-CE 3.51Å; P925-M959 HydrophobicContact CG-CE 3.57Å; C926-M959 HydrophobicContact CB-CB 4.43Å; C926-M959 HydrophobicContact CB-CG 3.71Å; C926-M959 WeakPolarHBondContact CB-O 3.29Å | ||
| 960 | S | 72 | Confident | 72 | Confident | 24 Ų | 24 | 52 Ų | 52 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | trans | -90 | 138.2 | -176.5 | 176 | 0 | 0 | 0 | 0 | 113.3 | D937 P958 Q962 I963 | D937-S960 PolarHBondContact OD2-OG 2.85Å; P958-S960 VanDerWaalsContact C-N 3.28Å; P958-S960 PolarHBondContact O-N 2.64Å; S960-Q962 PolarHBondContact O-N 3.13Å; S960-Q962 WeakPolarHBondContact OG-CB 3.46Å; S960-Q962 PolarHBondContact OG-N 3.34Å; S960-I963 PolarHBondContact O-N 2.84Å | ||
| 961 | M | 80.6 | Confident | 73.4 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -21.3 | 170.3 | -175.7 | 165.3 | -162.8 | 0 | 0 | 113.4 | C926 L927 I963 I964 L965 R1034 R1037 I1038 | C926-M961 VanDerWaalsContact SG-CA 3.6Å; L927-M961 HydrophobicContact CD2-CE 3.41Å; L927-M961 VanDerWaalsContact CD2-CE 3.41Å; L927-M961 HydrophobicContact CD2-CG 4.21Å; L927-M961 HydrophobicContact CD2-SD 3.97Å; M961-I963 PolarHBondContact O-N 3Å; M961-I964 PolarHBondContact O-N 3.33Å; M961-L965 PolarHBondContact O-N 3Å; M961-R1034 HydrophobicContact CE-CB 4Å; M961-R1034 WeakPolarHBondContact CE-O 3.1Å; M961-R1034 HydrophobicContact SD-CB 3.71Å; M961-R1034 HydrophobicContact SD-CG 3.89Å; M961-R1037 HydrophobicContact CE-CB 3.95Å; M961-R1037 HydrophobicContact SD-CB 4.11Å; M961-R1037 HydrophobicContact SD-CG 4.49Å; M961-I1038 HydrophobicContact CE-CD1 3.85Å; M961-I1038 HydrophobicContact CE-CG1 3.33Å |
| 962 | Q | 80.9 | Confident | 74.9 | Confident | 18 Ų | 18 | 46 Ų | 46 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -37 | 178.3 | -165.1 | 59.2 | 21.8 | 0 | 0 | 111.6 | D942 S960 I964 L965 Q966 | D942-Q962 PolarHBondContact O-NE2 2.74Å; S960-Q962 PolarHBondContact O-N 3.13Å; S960-Q962 WeakPolarHBondContact OG-CB 3.46Å; S960-Q962 PolarHBondContact OG-N 3.34Å; Q962-I964 VanDerWaalsContact C-N 3.29Å; Q962-I964 PolarHBondContact O-N 3.14Å; Q962-L965 PolarHBondContact O-N 2.71Å; Q962-L965 VanDerWaalsContact O-N 3.1Å; Q962-Q966 HydrophobicContact CG-CG 4.17Å; Q962-Q966 VanDerWaalsContact O-CG 3.25Å; Q962-Q966 WeakPolarHBondContact O-CG 3.48Å; Q962-Q966 PolarHBondContact O-N 3.14Å |
| 963 | I | 81.7 | Confident | 76.4 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | -178.8 | -62.8 | 170.5 | 0 | 0 | 0 | 111.2 | W923 S960 M961 N967 | W923-I963 HydrophobicContact CD2-CB 4.42Å; W923-I963 HydrophobicContact CD2-CD1 4.3Å; W923-I963 HydrophobicContact CD2-CG2 3.89Å; W923-I963 HydrophobicContact CE3-CD1 3.79Å; W923-I963 HydrophobicContact CE3-CG2 4.42Å; W923-I963 HydrophobicContact CG-CG2 4.12Å; W923-I963 HydrophobicContact CH2-CD1 3.66Å; W923-I963 HydrophobicContact CZ2-CD1 4.17Å; W923-I963 HydrophobicContact CZ2-CG2 4.3Å; W923-I963 HydrophobicContact CZ3-CD1 3.45Å; W923-I963 VanDerWaalsContact CZ3-CD1 3.45Å; S960-I963 PolarHBondContact O-N 2.84Å; M961-I963 PolarHBondContact O-N 3Å; I963-N967 WeakPolarHBondContact O-CB 3.35Å; I963-N967 PolarHBondContact O-N 2.85Å; I963-N967 PolarHBondContact O-ND2 2.93Å |
| 964 | I | 88 | Confident | 78.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 174.2 | -65 | -179 | 0 | 0 | 0 | 110.8 | L920 W923 L924 C926 L927 M961 Q962 Q966 N967 F968 | L920-I964 HydrophobicContact CD2-CB 4.32Å; L920-I964 HydrophobicContact CD2-CG1 4.18Å; L920-I964 HydrophobicContact CD2-CG2 4.07Å; W923-I964 HydrophobicContact CB-CD1 4.34Å; W923-I964 HydrophobicContact CB-CG1 4Å; L924-I964 HydrophobicContact CD2-CD1 4.45Å; C926-I964 VanDerWaalsContact SG-CD1 3.52Å; L927-I964 HydrophobicContact CD1-CD1 4.14Å; L927-I964 HydrophobicContact CD2-CD1 4.05Å; L927-I964 HydrophobicContact CG-CD1 4.03Å; M961-I964 PolarHBondContact O-N 3.33Å; Q962-I964 VanDerWaalsContact C-N 3.29Å; Q962-I964 PolarHBondContact O-N 3.14Å; I964-Q966 PolarHBondContact O-N 3.38Å; I964-N967 PolarHBondContact O-N 3.23Å; I964-F968 HydrophobicContact CG2-CD2 4.1Å; I964-F968 HydrophobicContact CG2-CE2 3.98Å; I964-F968 HydrophobicContact CG2-CZ 4.49Å; I964-F968 WeakPolarHBondContact O-CB 3.21Å; I964-F968 WeakPolarHBondContact O-CG 3.08Å; I964-F968 PolarHBondContact O-N 3.49Å |
| 965 | L | 89.9 | Confident | 80 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.2 | -34.1 | -179.5 | -59 | -176.8 | 0 | 0 | 0 | 112.5 | L941 M961 Q962 T969 W1041 | L941-L965 HydrophobicContact CD2-CD1 4.03Å; M961-L965 PolarHBondContact O-N 3Å; Q962-L965 PolarHBondContact O-N 2.71Å; Q962-L965 VanDerWaalsContact O-N 3.1Å; L965-T969 WeakPolarHBondContact O-CB 3.48Å; L965-T969 PolarHBondContact O-N 3.07Å; L965-T969 PolarHBondContact O-OG1 3Å; L965-W1041 HydrophobicContact CD2-CB 3.88Å; L965-W1041 HydrophobicContact CD2-CG 4.04Å |
| 966 | Q | 87.4 | Confident | 81.7 | Confident | 24 Ų | 24 | 36 Ų | 36 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.2 | -40.6 | 176.5 | -67 | 174.9 | -36.1 | 0 | 0 | 111.6 | D942 K944 I946 Q962 I964 T969 Y970 | D942-Q966 PolarHBondContact O-NE2 2.74Å; K944-Q966 VanDerWaalsContact O-CG 3.22Å; K944-Q966 WeakPolarHBondContact O-CG 3.4Å; I946-Q966 HydrophobicContact CG1-CB 4.47Å; Q962-Q966 HydrophobicContact CG-CG 4.17Å; Q962-Q966 VanDerWaalsContact O-CG 3.25Å; Q962-Q966 WeakPolarHBondContact O-CG 3.48Å; Q962-Q966 PolarHBondContact O-N 3.14Å; I964-Q966 PolarHBondContact O-N 3.38Å; Q966-T969 PolarHBondContact O-N 3.33Å; Q966-Y970 PolarHBondContact O-N 3.04Å |
| 967 | N | 89.4 | Confident | 83.5 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 170.5 | -91.5 | -86.8 | 0 | 0 | 0 | 111.9 | M916 I919 L920 P948 I963 I964 T969 Y970 L971 | M916-N967 HydrophobicContact CE-CB 3.84Å; I919-N967 VanDerWaalsContact CG2-OD1 3.24Å; I919-N967 WeakPolarHBondContact CG2-OD1 3.28Å; L920-N967 HydrophobicContact CD2-CB 4.05Å; P948-N967 WeakPolarHBondContact CB-OD1 3.24Å; I963-N967 WeakPolarHBondContact O-CB 3.35Å; I963-N967 PolarHBondContact O-N 2.85Å; I963-N967 PolarHBondContact O-ND2 2.93Å; I964-N967 PolarHBondContact O-N 3.23Å; N967-T969 VanDerWaalsContact C-N 3.27Å; N967-T969 PolarHBondContact O-N 3.08Å; N967-Y970 WeakPolarHBondContact O-CB 3.28Å; N967-Y970 PolarHBondContact O-N 3.04Å; N967-L971 PolarHBondContact O-N 3.38Å |
| 968 | F | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -36.2 | 173.4 | -80.7 | -18 | 0 | 0 | 0 | 112.7 | L920 I964 M972 Y989 L992 F993 I996 I1038 W1041 | L920-F968 HydrophobicContact CD1-CD1 4.19Å; L920-F968 HydrophobicContact CD1-CE1 3.56Å; L920-F968 HydrophobicContact CD1-CZ 4.22Å; I964-F968 HydrophobicContact CG2-CD2 4.1Å; I964-F968 HydrophobicContact CG2-CE2 3.98Å; I964-F968 HydrophobicContact CG2-CZ 4.49Å; I964-F968 WeakPolarHBondContact O-CB 3.21Å; I964-F968 WeakPolarHBondContact O-CG 3.08Å; I964-F968 PolarHBondContact O-N 3.49Å; F968-M972 WeakPolarHBondContact O-CB 3.41Å; F968-M972 PolarHBondContact O-N 3.07Å; F968-M972 VanDerWaalsContact O-N 3.12Å; F968-Y989 HydrophobicContact CB-CE1 4.32Å; F968-Y989 AromaticContact CD1-CE1 3.95Å; F968-Y989 HydrophobicContact CD1-CE1 3.95Å; F968-Y989 HydrophobicContact CE1-CE1 4.42Å; F968-Y989 HydrophobicContact CG-CE1 4.2Å; F968-Y989 PolarHBondContact O-OH 2.85Å; F968-L992 HydrophobicContact CE1-CB 4.39Å; F968-L992 HydrophobicContact CE1-CD1 4.42Å; F968-F993 HydrophobicContact CD2-CE1 4.48Å; F968-F993 HydrophobicContact CE2-CD1 4.27Å; F968-F993 AromaticContact CE2-CE1 3.81Å; F968-F993 HydrophobicContact CE2-CE1 3.81Å; F968-F993 HydrophobicContact CZ-CD1 4.17Å; F968-F993 HydrophobicContact CZ-CE1 4.02Å; F968-I996 HydrophobicContact CE2-CD1 4.12Å; F968-I996 HydrophobicContact CZ-CD1 3.55Å; F968-I1038 HydrophobicContact CE2-CG2 4.21Å; F968-W1041 VanDerWaalsContact C-CZ2 3.47Å; F968-W1041 HydrophobicContact CB-CD2 4.45Å; F968-W1041 HydrophobicContact CB-CE3 4.4Å; F968-W1041 HydrophobicContact CB-CH2 3.66Å; F968-W1041 HydrophobicContact CB-CZ2 3.65Å; F968-W1041 HydrophobicContact CB-CZ3 4.03Å; F968-W1041 HydrophobicContact CD2-CE3 4.26Å; F968-W1041 HydrophobicContact CD2-CZ3 4.24Å; F968-W1041 HydrophobicContact CG-CH2 4.41Å; F968-W1041 HydrophobicContact CG-CZ3 4.37Å; F968-W1041 WeakPolarHBondContact O-CZ2 3.1Å |
| 969 | T | 92.6 | Very high | 86.9 | Confident | 11 Ų | 11 | 26.7 Ų | 26.7 | 7% | 0.067 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.4 | -39.7 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 112 | D943 L965 Q966 N967 M972 Q973 W1041 | D943-T969 VanDerWaalsContact O-CB 3.31Å; D943-T969 WeakPolarHBondContact O-CB 3.31Å; D943-T969 WeakPolarHBondContact O-CG2 3.3Å; D943-T969 PolarHBondContact O-OG1 3.21Å; L965-T969 WeakPolarHBondContact O-CB 3.48Å; L965-T969 PolarHBondContact O-N 3.07Å; L965-T969 PolarHBondContact O-OG1 3Å; Q966-T969 PolarHBondContact O-N 3.33Å; N967-T969 VanDerWaalsContact C-N 3.27Å; N967-T969 PolarHBondContact O-N 3.08Å; T969-M972 PolarHBondContact O-N 3.37Å; T969-Q973 WeakPolarHBondContact O-CG 3.36Å; T969-Q973 PolarHBondContact O-N 3.24Å; T969-W1041 PolarHBondContact OG1-NE1 3.15Å |
| 970 | Y | 92.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 23.1 Ų | 23.1 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.9 | -53 | 174.5 | -179.6 | -89.3 | 0 | 0 | 0 | 111.5 | I847 K848 P945 I946 D947 P948 Q966 N967 M972 Q973 Q974 | I847-Y970 HydrophobicContact CB-CE1 4.27Å; I847-Y970 HydrophobicContact CD1-CD1 4.37Å; I847-Y970 HydrophobicContact CD1-CE1 4.11Å; I847-Y970 HydrophobicContact CG2-CD1 4.42Å; I847-Y970 HydrophobicContact CG2-CE1 3.98Å; K848-Y970 WeakPolarHBondContact CE-OH 3.19Å; K848-Y970 PolarHBondContact NZ-OH 2.69Å; P945-Y970 HydrophobicContact CB-CD2 4.26Å; I946-Y970 WeakPolarHBondContact O-CD2 3.17Å; D947-Y970 HydrophobicContact CB-CD2 4.47Å; D947-Y970 HydrophobicContact CB-CE2 3.8Å; D947-Y970 VanDerWaalsContact CG-CE2 3.46Å; D947-Y970 PolarHBondContact OD1-OH 3.27Å; D947-Y970 WeakPolarHBondContact OD2-CE2 3.48Å; D947-Y970 VanDerWaalsContact OD2-CZ 3.31Å; D947-Y970 PolarHBondContact OD2-OH 3.39Å; P948-Y970 VanDerWaalsContact CD-CE1 3.5Å; P948-Y970 VanDerWaalsContact CD-CZ 3.5Å; P948-Y970 HydrophobicContact CG-CD1 3.9Å; P948-Y970 HydrophobicContact CG-CE1 3.84Å; P948-Y970 HydrophobicContact CG-CG 4.41Å; Q966-Y970 PolarHBondContact O-N 3.04Å; N967-Y970 WeakPolarHBondContact O-CB 3.28Å; N967-Y970 PolarHBondContact O-N 3.04Å; Y970-M972 VanDerWaalsContact C-N 3.33Å; Y970-M972 PolarHBondContact O-N 3.37Å; Y970-Q973 WeakPolarHBondContact O-CB 3.38Å; Y970-Q973 PolarHBondContact O-N 2.91Å; Y970-Q973 VanDerWaalsContact O-N 3.08Å; Y970-Q974 HydrophobicContact CD1-CG 4Å; Y970-Q974 HydrophobicContact CE1-CG 3.72Å; Y970-Q974 WeakPolarHBondContact O-CG 3.26Å; Y970-Q974 PolarHBondContact O-N 2.72Å |
| 971 | L | 94.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58 | -44.4 | 178.2 | 174.7 | 62.4 | 0 | 0 | 0 | 111.7 | I847 T851 L912 M916 N967 Q973 Q974 L975 L988 Y989 L992 | I847-L971 HydrophobicContact CG2-CD1 4.1Å; T851-L971 HydrophobicContact CG2-CD1 4.36Å; L912-L971 HydrophobicContact CD1-CD1 3.88Å; L912-L971 HydrophobicContact CD2-CD1 4.2Å; L912-L971 HydrophobicContact CG-CD1 4.21Å; M916-L971 HydrophobicContact CB-CD2 4.39Å; M916-L971 HydrophobicContact CG-CD2 3.77Å; M916-L971 HydrophobicContact SD-CB 3.96Å; M916-L971 HydrophobicContact SD-CD2 3.74Å; M916-L971 HydrophobicContact SD-CG 4.36Å; N967-L971 PolarHBondContact O-N 3.38Å; L971-Q973 VanDerWaalsContact C-N 3.26Å; L971-Q973 PolarHBondContact O-N 2.93Å; L971-Q974 PolarHBondContact O-N 3.11Å; L971-L975 HydrophobicContact CD1-CD1 3.94Å; L971-L975 HydrophobicContact CD1-CG 4.08Å; L971-L975 HydrophobicContact CG-CD1 3.84Å; L971-L975 HydrophobicContact CG-CG 4.44Å; L971-L975 WeakPolarHBondContact O-CG 3.27Å; L971-L975 PolarHBondContact O-N 3.27Å; L971-L988 HydrophobicContact CD1-CD2 4.43Å; L971-L988 HydrophobicContact CD2-CD2 4.04Å; L971-Y989 WeakPolarHBondContact CB-OH 3.31Å; L971-Y989 HydrophobicContact CD2-CE2 4.26Å; L971-Y989 HydrophobicContact CG-CE2 4.39Å; L971-Y989 WeakPolarHBondContact CG-OH 3.49Å; L971-L992 HydrophobicContact CD2-CD1 3.84Å |
| 972 | M | 93.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -36.4 | 177.5 | -178.9 | 56.1 | 68.9 | 0 | 0 | 111.8 | F968 T969 Y970 R976 T985 Y989 W1041 Q1045 L1047 | F968-M972 WeakPolarHBondContact O-CB 3.41Å; F968-M972 PolarHBondContact O-N 3.07Å; F968-M972 VanDerWaalsContact O-N 3.12Å; T969-M972 PolarHBondContact O-N 3.37Å; Y970-M972 VanDerWaalsContact C-N 3.33Å; Y970-M972 PolarHBondContact O-N 3.37Å; M972-R976 VanDerWaalsContact CG-CZ 3.4Å; M972-R976 WeakPolarHBondContact O-CB 3.39Å; M972-R976 VanDerWaalsContact O-CG 3.26Å; M972-R976 WeakPolarHBondContact O-CG 3.11Å; M972-R976 PolarHBondContact O-N 2.64Å; M972-R976 VanDerWaalsContact O-N 3.17Å; M972-R976 HydrophobicContact SD-CG 4.29Å; M972-R976 PolarHBondContact SD-NE 3.2Å; M972-R976 VanDerWaalsContact SD-NE 3.38Å; M972-R976 PolarHBondContact SD-NH2 2.98Å; M972-R976 VanDerWaalsContact SD-NH2 3.41Å; M972-T985 HydrophobicContact CE-CG2 3.84Å; M972-T985 HydrophobicContact SD-CG2 4.07Å; M972-Y989 WeakPolarHBondContact CA-OH 3.26Å; M972-Y989 WeakPolarHBondContact CB-OH 3.49Å; M972-Y989 HydrophobicContact CE-CD2 3.91Å; M972-Y989 HydrophobicContact CE-CE2 3.49Å; M972-Y989 VanDerWaalsContact CE-CE2 3.49Å; M972-Y989 PolarHBondContact N-OH 3.05Å; M972-W1041 HydrophobicContact CB-CH2 4.47Å; M972-W1041 HydrophobicContact CB-CZ2 4.41Å; M972-W1041 HydrophobicContact CE-CH2 4.5Å; M972-Q1045 HydrophobicContact CE-CB 4.2Å; M972-Q1045 HydrophobicContact CG-CG 4.4Å; M972-L1047 HydrophobicContact CE-CD1 3.54Å; M972-L1047 HydrophobicContact CE-CG 4.28Å |
| 973 | Q | 91.3 | Very high | 89.8 | Confident | 68 Ų | 68 | 28 Ų | 28 | 32% | 0.318 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -70.6 | -41.5 | 174.3 | -73 | -173 | 20.7 | 0 | 0 | 112.7 | T969 Y970 L971 R976 K977 | T969-Q973 WeakPolarHBondContact O-CG 3.36Å; T969-Q973 PolarHBondContact O-N 3.24Å; Y970-Q973 WeakPolarHBondContact O-CB 3.38Å; Y970-Q973 PolarHBondContact O-N 2.91Å; Y970-Q973 VanDerWaalsContact O-N 3.08Å; L971-Q973 VanDerWaalsContact C-N 3.26Å; L971-Q973 PolarHBondContact O-N 2.93Å; Q973-R976 PolarHBondContact O-N 3.06Å; Q973-K977 WeakPolarHBondContact O-CB 3.22Å; Q973-K977 VanDerWaalsContact O-CG 3.28Å; Q973-K977 WeakPolarHBondContact O-CG 3.34Å; Q973-K977 PolarHBondContact O-N 2.85Å |
| 974 | Q | 92.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.9 | -54 | -50.2 | -12.8 | 0 | 0 | 111.3 | I847 T851 Y970 L971 R976 K977 S978 | I847-Q974 HydrophobicContact CG2-CB 4.35Å; I847-Q974 HydrophobicContact CG2-CG 4.12Å; T851-Q974 HydrophobicContact CG2-CB 4.03Å; Y970-Q974 HydrophobicContact CD1-CG 4Å; Y970-Q974 HydrophobicContact CE1-CG 3.72Å; Y970-Q974 WeakPolarHBondContact O-CG 3.26Å; Y970-Q974 PolarHBondContact O-N 2.72Å; L971-Q974 PolarHBondContact O-N 3.11Å; Q974-R976 VanDerWaalsContact C-N 3.33Å; Q974-R976 PolarHBondContact O-N 2.86Å; Q974-K977 PolarHBondContact O-N 3.16Å; Q974-S978 WeakPolarHBondContact O-CB 3.31Å; Q974-S978 PolarHBondContact O-N 3.06Å; Q974-S978 PolarHBondContact O-OG 3.38Å |
| 975 | L | 93 | Very high | 90.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 175 | -70.5 | 165.1 | 0 | 0 | 0 | 112.5 | T851 L854 L912 L971 R979 V980 T985 L988 Y989 | T851-L975 HydrophobicContact CG2-CD2 3.73Å; T851-L975 HydrophobicContact CG2-CG 4.01Å; L854-L975 HydrophobicContact CD2-CD2 4.27Å; L912-L975 HydrophobicContact CD2-CD2 4.06Å; L971-L975 HydrophobicContact CD1-CD1 3.94Å; L971-L975 HydrophobicContact CD1-CG 4.08Å; L971-L975 HydrophobicContact CG-CD1 3.84Å; L971-L975 HydrophobicContact CG-CG 4.44Å; L971-L975 WeakPolarHBondContact O-CG 3.27Å; L971-L975 PolarHBondContact O-N 3.27Å; L975-R979 PolarHBondContact O-N 2.59Å; L975-R979 VanDerWaalsContact O-N 3.13Å; L975-V980 HydrophobicContact CD2-CB 3.97Å; L975-V980 HydrophobicContact CD2-CG1 4.07Å; L975-V980 HydrophobicContact CD2-CG2 3.83Å; L975-V980 PolarHBondContact O-N 3.18Å; L975-T985 HydrophobicContact CD1-CG2 4.06Å; L975-L988 HydrophobicContact CD1-CD2 3.96Å; L975-L988 HydrophobicContact CD2-CD2 4.43Å; L975-Y989 HydrophobicContact CD1-CE2 3.85Å |
| 976 | R | 89 | Confident | 90.8 | Very high | 119 Ų | 119 | 31.9 Ų | 31.9 | 45% | 0.449 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.6 | -37.8 | 176.3 | -72.8 | 174.6 | -178.7 | 157.1 | 5 | 113 | M972 Q973 Q974 R979 Q1045 | M972-R976 VanDerWaalsContact CG-CZ 3.4Å; M972-R976 WeakPolarHBondContact O-CB 3.39Å; M972-R976 VanDerWaalsContact O-CG 3.26Å; M972-R976 WeakPolarHBondContact O-CG 3.11Å; M972-R976 PolarHBondContact O-N 2.64Å; M972-R976 VanDerWaalsContact O-N 3.17Å; M972-R976 HydrophobicContact SD-CG 4.29Å; M972-R976 PolarHBondContact SD-NE 3.2Å; M972-R976 VanDerWaalsContact SD-NE 3.38Å; M972-R976 PolarHBondContact SD-NH2 2.98Å; M972-R976 VanDerWaalsContact SD-NH2 3.41Å; Q973-R976 PolarHBondContact O-N 3.06Å; Q974-R976 VanDerWaalsContact C-N 3.33Å; Q974-R976 PolarHBondContact O-N 2.86Å; R976-R979 PolarHBondContact O-N 2.92Å; R976-Q1045 VanDerWaalsContact CZ-OE1 3.3Å; R976-Q1045 PolarHBondContact NH2-O 3.13Å |
| 977 | K | 86.1 | Confident | 91 | Very high | 97 Ų | 97 | 32.2 Ų | 32.2 | 42% | 0.422 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.9 | -50.3 | 174.7 | -77.6 | 174.1 | 179.5 | -180 | 0 | 111.2 | Y784 Q973 Q974 R979 | Y784-K977 VanDerWaalsContact CB-O 3.31Å; Y784-K977 WeakPolarHBondContact CB-O 3.46Å; Y784-K977 WeakPolarHBondContact CD2-O 3.42Å; Y784-K977 HydrophobicContact CE2-CB 4.26Å; Y784-K977 VanDerWaalsContact CG-O 3.27Å; Q973-K977 WeakPolarHBondContact O-CB 3.22Å; Q973-K977 VanDerWaalsContact O-CG 3.28Å; Q973-K977 WeakPolarHBondContact O-CG 3.34Å; Q973-K977 PolarHBondContact O-N 2.85Å; Q974-K977 PolarHBondContact O-N 3.16Å; K977-R979 PolarHBondContact O-N 3.01Å; K977-R979 VanDerWaalsContact O-N 3.14Å |
| 978 | S | 88.9 | Confident | 91.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -2.3 | 176 | -58.7 | 0 | 0 | 0 | 0 | 114.3 | T851 Y852 Q974 V980 | T851-S978 VanDerWaalsContact C-CB 3.45Å; T851-S978 WeakPolarHBondContact CB-OG 3.31Å; T851-S978 WeakPolarHBondContact O-CB 3.35Å; T851-S978 PolarHBondContact OG1-OG 2.9Å; Y852-S978 PolarHBondContact N-OG 3.32Å; Q974-S978 WeakPolarHBondContact O-CB 3.31Å; Q974-S978 PolarHBondContact O-N 3.06Å; Q974-S978 PolarHBondContact O-OG 3.38Å; S978-V980 VanDerWaalsContact C-N 3.3Å; S978-V980 PolarHBondContact O-N 3.42Å |
| 979 | R | 88.2 | Confident | 91.4 | Very high | 72 Ų | 72 | 32.1 Ų | 32.1 | 27% | 0.272 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 45.8 | 179.3 | -65.1 | -176.4 | 176.7 | 154.2 | 1.1 | 113.2 | L785 L975 R976 K977 Y1163 | L785-R979 HydrophobicContact CD1-CB 3.75Å; L785-R979 HydrophobicContact CD2-CB 4.28Å; L785-R979 HydrophobicContact CG-CB 3.93Å; L975-R979 PolarHBondContact O-N 2.59Å; L975-R979 VanDerWaalsContact O-N 3.13Å; R976-R979 PolarHBondContact O-N 2.92Å; K977-R979 PolarHBondContact O-N 3.01Å; K977-R979 VanDerWaalsContact O-N 3.14Å; R979-Y1163 VanDerWaalsContact C-CD2 3.44Å; R979-Y1163 HydrophobicContact CB-CD1 3.83Å; R979-Y1163 HydrophobicContact CB-CD2 3.85Å; R979-Y1163 HydrophobicContact CB-CE1 3.77Å; R979-Y1163 HydrophobicContact CB-CE2 3.78Å; R979-Y1163 HydrophobicContact CB-CG 3.86Å; R979-Y1163 HydrophobicContact CG-CD1 4.19Å; R979-Y1163 HydrophobicContact CG-CE1 3.68Å; R979-Y1163 HydrophobicContact CG-CE2 4.21Å; R979-Y1163 WeakPolarHBondContact O-CD2 3.41Å |
| 980 | V | 90.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | trans | -68.5 | 139.1 | 169.5 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | L854 L975 S978 L984 | L854-V980 HydrophobicContact CB-CG2 4.2Å; L854-V980 HydrophobicContact CD2-CG1 3.81Å; L854-V980 HydrophobicContact CD2-CG2 4.12Å; L854-V980 HydrophobicContact CG-CG1 3.98Å; L854-V980 HydrophobicContact CG-CG2 4.09Å; L975-V980 HydrophobicContact CD2-CB 3.97Å; L975-V980 HydrophobicContact CD2-CG1 4.07Å; L975-V980 HydrophobicContact CD2-CG2 3.83Å; L975-V980 PolarHBondContact O-N 3.18Å; S978-V980 VanDerWaalsContact C-N 3.3Å; S978-V980 PolarHBondContact O-N 3.42Å; V980-L984 HydrophobicContact CG1-CB 3.85Å; V980-L984 HydrophobicContact CG1-CD1 4.22Å | ||
| 981 | N | 88.3 | Confident | 91.3 | Very high | 16 Ų | 16 | 33 Ų | 33 | 9% | 0.086 | 16% | 0.162 | C | C | . | . | trans | -54 | 134.4 | 179.6 | -176.3 | -59 | 0 | 0 | 0 | 111.3 | A983 L984 T985 P1159 D1161 G1162 | N981-A983 PolarHBondContact O-N 3.09Å; N981-A983 VanDerWaalsContact O-N 3.15Å; N981-A983 WeakPolarHBondContact OD1-CB 3.44Å; N981-A983 PolarHBondContact OD1-N 3.43Å; N981-L984 HydrophobicContact CB-CD1 4.26Å; N981-L984 HydrophobicContact CB-CG 4.36Å; N981-L984 PolarHBondContact O-N 3.41Å; N981-T985 PolarHBondContact O-N 2.85Å; N981-T985 PolarHBondContact O-OG1 3.16Å; N981-P1159 HydrophobicContact CB-CG 4.28Å; N981-D1161 PolarHBondContact ND2-O 2.9Å; N981-G1162 PolarHBondContact ND2-O 3.01Å | ||
| 982 | P | 88.5 | Confident | 91.3 | Very high | 91 Ų | 91 | 33 Ų | 33 | 59% | 0.591 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -54.1 | -32 | 179 | -29 | 36.3 | 0 | 0 | 0 | 115.1 | T985 F986 | P982-T985 WeakPolarHBondContact O-CB 3.33Å; P982-T985 PolarHBondContact O-N 3.07Å; P982-F986 WeakPolarHBondContact O-CB 3.47Å; P982-F986 PolarHBondContact O-N 3.28Å |
| 983 | A | 87.8 | Confident | 91.4 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 36% | 0.364 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -74.2 | -29.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N981 Q987 P1159 | N981-A983 PolarHBondContact O-N 3.09Å; N981-A983 VanDerWaalsContact O-N 3.15Å; N981-A983 WeakPolarHBondContact OD1-CB 3.44Å; N981-A983 PolarHBondContact OD1-N 3.43Å; A983-Q987 WeakPolarHBondContact O-CG 3.24Å; A983-Q987 PolarHBondContact O-N 3.41Å; A983-Q987 PolarHBondContact O-NE2 2.69Å; A983-P1159 HydrophobicContact CB-CG 3.99Å |
| 984 | L | 93 | Very high | 91.4 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70 | -41.6 | 167.6 | -68.4 | 174.1 | 0 | 0 | 0 | 110.1 | L854 V905 V980 N981 F986 Q987 L988 L1156 P1159 | L854-L984 HydrophobicContact CD1-CD1 4.41Å; V905-L984 HydrophobicContact CG1-CD1 4.3Å; V905-L984 HydrophobicContact CG1-CD2 4.49Å; V980-L984 HydrophobicContact CG1-CB 3.85Å; V980-L984 HydrophobicContact CG1-CD1 4.22Å; N981-L984 HydrophobicContact CB-CD1 4.26Å; N981-L984 HydrophobicContact CB-CG 4.36Å; N981-L984 PolarHBondContact O-N 3.41Å; L984-F986 PolarHBondContact O-N 3.5Å; L984-Q987 PolarHBondContact O-N 2.94Å; L984-L988 PolarHBondContact O-N 3.22Å; L984-L1156 HydrophobicContact CD2-CD1 3.93Å; L984-L1156 HydrophobicContact CD2-CG 4.46Å; L984-P1159 HydrophobicContact CD2-CG 4.46Å; L984-P1159 HydrophobicContact CG-CG 4.09Å |
| 985 | T | 94 | Very high | 91.4 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.08 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | M972 L975 N981 P982 Q987 L988 Y989 | M972-T985 HydrophobicContact CE-CG2 3.84Å; M972-T985 HydrophobicContact SD-CG2 4.07Å; L975-T985 HydrophobicContact CD1-CG2 4.06Å; N981-T985 PolarHBondContact O-N 2.85Å; N981-T985 PolarHBondContact O-OG1 3.16Å; P982-T985 WeakPolarHBondContact O-CB 3.33Å; P982-T985 PolarHBondContact O-N 3.07Å; T985-Q987 PolarHBondContact O-N 3.44Å; T985-L988 PolarHBondContact O-N 2.85Å; T985-Y989 HydrophobicContact CG2-CD2 4.07Å; T985-Y989 HydrophobicContact CG2-CE2 4.22Å; T985-Y989 WeakPolarHBondContact O-CD2 3.36Å; T985-Y989 PolarHBondContact O-N 2.82Å; T985-Y989 VanDerWaalsContact O-N 3.13Å |
| 986 | F | 91.9 | Very high | 91.3 | Very high | 80 Ų | 80 | 30.5 Ų | 30.5 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61 | -43.4 | 177.6 | -172.9 | -83.4 | 0 | 0 | 0 | 112.3 | P982 L984 Y989 S990 L1047 L1049 A1050 | P982-F986 WeakPolarHBondContact O-CB 3.47Å; P982-F986 PolarHBondContact O-N 3.28Å; L984-F986 PolarHBondContact O-N 3.5Å; F986-Y989 PolarHBondContact O-N 3Å; F986-S990 WeakPolarHBondContact O-CB 3.17Å; F986-S990 PolarHBondContact O-N 3.11Å; F986-L1047 HydrophobicContact CD2-CD2 3.95Å; F986-L1049 HydrophobicContact CE2-CB 4.45Å; F986-L1049 HydrophobicContact CZ-CB 4.31Å; F986-A1050 HydrophobicContact CD2-CB 4.24Å; F986-A1050 HydrophobicContact CE1-CB 4.1Å; F986-A1050 HydrophobicContact CE2-CB 3.75Å; F986-A1050 HydrophobicContact CZ-CB 3.68Å |
| 987 | Q | 93.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 25 Ų | 25 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 177.2 | -75.1 | 173.5 | 88.5 | 0 | 0 | 112.2 | F909 A983 L984 T985 S990 Q991 L1157 | F909-Q987 HydrophobicContact CE2-CB 4.06Å; F909-Q987 HydrophobicContact CZ-CB 3.91Å; A983-Q987 WeakPolarHBondContact O-CG 3.24Å; A983-Q987 PolarHBondContact O-N 3.41Å; A983-Q987 PolarHBondContact O-NE2 2.69Å; L984-Q987 PolarHBondContact O-N 2.94Å; T985-Q987 PolarHBondContact O-N 3.44Å; Q987-S990 WeakPolarHBondContact O-CB 3.47Å; Q987-S990 PolarHBondContact O-N 3.11Å; Q987-Q991 PolarHBondContact O-N 3.35Å; Q987-L1157 PolarHBondContact NE2-O 2.99Å |
| 988 | L | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 178.5 | -173.3 | 69.5 | 0 | 0 | 0 | 111.4 | F909 L912 R913 L971 L975 L984 T985 Q991 L992 | F909-L988 HydrophobicContact CD2-CB 4.44Å; F909-L988 HydrophobicContact CD2-CD1 4.33Å; F909-L988 HydrophobicContact CE1-CD1 4.44Å; F909-L988 HydrophobicContact CE2-CB 3.69Å; F909-L988 HydrophobicContact CE2-CD1 4.11Å; F909-L988 HydrophobicContact CE2-CG 4.5Å; F909-L988 HydrophobicContact CZ-CB 4.04Å; F909-L988 HydrophobicContact CZ-CD1 4.16Å; L912-L988 HydrophobicContact CD2-CD2 3.67Å; L912-L988 HydrophobicContact CG-CD2 4.04Å; R913-L988 HydrophobicContact CB-CD1 3.91Å; L971-L988 HydrophobicContact CD1-CD2 4.43Å; L971-L988 HydrophobicContact CD2-CD2 4.04Å; L975-L988 HydrophobicContact CD1-CD2 3.96Å; L975-L988 HydrophobicContact CD2-CD2 4.43Å; L984-L988 PolarHBondContact O-N 3.22Å; T985-L988 PolarHBondContact O-N 2.85Å; L988-Q991 PolarHBondContact O-N 2.68Å; L988-L992 HydrophobicContact CG-CD1 4.29Å; L988-L992 WeakPolarHBondContact O-CG 3.49Å; L988-L992 PolarHBondContact O-N 2.69Å |
| 989 | Y | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.1 | -34.3 | 177.2 | -82.5 | -86.1 | 0 | 0 | 0 | 112.9 | F968 L971 M972 L975 T985 F986 Q991 L992 F993 W1041 L1047 | F968-Y989 HydrophobicContact CB-CE1 4.32Å; F968-Y989 AromaticContact CD1-CE1 3.95Å; F968-Y989 HydrophobicContact CD1-CE1 3.95Å; F968-Y989 HydrophobicContact CE1-CE1 4.42Å; F968-Y989 HydrophobicContact CG-CE1 4.2Å; F968-Y989 PolarHBondContact O-OH 2.85Å; L971-Y989 WeakPolarHBondContact CB-OH 3.31Å; L971-Y989 HydrophobicContact CD2-CE2 4.26Å; L971-Y989 HydrophobicContact CG-CE2 4.39Å; L971-Y989 WeakPolarHBondContact CG-OH 3.49Å; M972-Y989 WeakPolarHBondContact CA-OH 3.26Å; M972-Y989 WeakPolarHBondContact CB-OH 3.49Å; M972-Y989 HydrophobicContact CE-CD2 3.91Å; M972-Y989 HydrophobicContact CE-CE2 3.49Å; M972-Y989 VanDerWaalsContact CE-CE2 3.49Å; M972-Y989 PolarHBondContact N-OH 3.05Å; L975-Y989 HydrophobicContact CD1-CE2 3.85Å; T985-Y989 HydrophobicContact CG2-CD2 4.07Å; T985-Y989 HydrophobicContact CG2-CE2 4.22Å; T985-Y989 WeakPolarHBondContact O-CD2 3.36Å; T985-Y989 PolarHBondContact O-N 2.82Å; T985-Y989 VanDerWaalsContact O-N 3.13Å; F986-Y989 PolarHBondContact O-N 3Å; Y989-Q991 VanDerWaalsContact C-N 3.31Å; Y989-Q991 PolarHBondContact O-N 2.85Å; Y989-L992 PolarHBondContact O-N 3.12Å; Y989-F993 HydrophobicContact CD1-CE1 4.21Å; Y989-F993 HydrophobicContact CD1-CE2 4.42Å; Y989-F993 AromaticContact CD1-CZ 3.88Å; Y989-F993 HydrophobicContact CD1-CZ 3.88Å; Y989-F993 HydrophobicContact CG-CZ 4.47Å; Y989-F993 WeakPolarHBondContact O-CB 3.33Å; Y989-F993 WeakPolarHBondContact O-CD2 3.34Å; Y989-F993 WeakPolarHBondContact O-CG 3.47Å; Y989-F993 PolarHBondContact O-N 3.38Å; Y989-W1041 HydrophobicContact CD1-CH2 4.37Å; Y989-W1041 HydrophobicContact CD1-CZ3 4.24Å; Y989-W1041 AromaticContact CE1-CH2 3.65Å; Y989-W1041 HydrophobicContact CE1-CH2 3.65Å; Y989-W1041 AromaticContact CE1-CZ3 3.92Å; Y989-W1041 HydrophobicContact CE1-CZ3 3.92Å; Y989-L1047 HydrophobicContact CD1-CD1 3.81Å; Y989-L1047 HydrophobicContact CD2-CD1 3.86Å; Y989-L1047 HydrophobicContact CE1-CD1 4.41Å; Y989-L1047 HydrophobicContact CE2-CD1 4.47Å; Y989-L1047 HydrophobicContact CG-CD1 3.5Å; Y989-L1047 VanDerWaalsContact CG-CD1 3.5Å |
| 990 | S | 91.7 | Very high | 91.6 | Very high | 10 Ų | 10 | 19.1 Ų | 19.1 | 7% | 0.07 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 171 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | F986 Q987 H994 R1054 | F986-S990 WeakPolarHBondContact O-CB 3.17Å; F986-S990 PolarHBondContact O-N 3.11Å; Q987-S990 WeakPolarHBondContact O-CB 3.47Å; Q987-S990 PolarHBondContact O-N 3.11Å; S990-H994 WeakPolarHBondContact O-CB 3.25Å; S990-H994 PolarHBondContact O-N 3.28Å; S990-R1054 WeakPolarHBondContact O-CG 3.39Å; S990-R1054 PolarHBondContact OG-NE 3.36Å |
| 991 | Q | 92.2 | Very high | 91.6 | Very high | 27 Ų | 27 | 19 Ų | 19 | 13% | 0.126 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.3 | -40 | 177.4 | -69.6 | -175.5 | -0.3 | 0 | 0 | 112.4 | Q987 L988 Y989 H994 L995 L1152 | Q987-Q991 PolarHBondContact O-N 3.35Å; L988-Q991 PolarHBondContact O-N 2.68Å; Y989-Q991 VanDerWaalsContact C-N 3.31Å; Y989-Q991 PolarHBondContact O-N 2.85Å; Q991-H994 PolarHBondContact O-N 3.18Å; Q991-L995 PolarHBondContact O-N 3.48Å; Q991-L1152 HydrophobicContact CG-CD2 4.15Å |
| 992 | L | 94.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.1 | -68.2 | 170.7 | 0 | 0 | 0 | 112.7 | M916 F968 L971 L988 Y989 L995 I996 | M916-L992 HydrophobicContact CB-CD1 4.34Å; M916-L992 HydrophobicContact CB-CD2 4.03Å; M916-L992 HydrophobicContact CG-CD1 3.85Å; M916-L992 HydrophobicContact CG-CD2 4.05Å; F968-L992 HydrophobicContact CE1-CB 4.39Å; F968-L992 HydrophobicContact CE1-CD1 4.42Å; L971-L992 HydrophobicContact CD2-CD1 3.84Å; L988-L992 HydrophobicContact CG-CD1 4.29Å; L988-L992 WeakPolarHBondContact O-CG 3.49Å; L988-L992 PolarHBondContact O-N 2.69Å; Y989-L992 PolarHBondContact O-N 3.12Å; L992-L995 PolarHBondContact O-N 3.3Å; L992-I996 WeakPolarHBondContact O-CG1 3.37Å; L992-I996 PolarHBondContact O-N 3.04Å; L992-I996 VanDerWaalsContact O-N 3.13Å |
| 993 | F | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.2 | -37.2 | 174.7 | -62.6 | -37.2 | 0 | 0 | 0 | 111.9 | F968 Y989 I996 G997 I1038 W1041 A1042 L1047 A1050 V1051 R1054 L1055 | F968-F993 HydrophobicContact CD2-CE1 4.48Å; F968-F993 HydrophobicContact CE2-CD1 4.27Å; F968-F993 AromaticContact CE2-CE1 3.81Å; F968-F993 HydrophobicContact CE2-CE1 3.81Å; F968-F993 HydrophobicContact CZ-CD1 4.17Å; F968-F993 HydrophobicContact CZ-CE1 4.02Å; Y989-F993 HydrophobicContact CD1-CE1 4.21Å; Y989-F993 HydrophobicContact CD1-CE2 4.42Å; Y989-F993 AromaticContact CD1-CZ 3.88Å; Y989-F993 HydrophobicContact CD1-CZ 3.88Å; Y989-F993 HydrophobicContact CG-CZ 4.47Å; Y989-F993 WeakPolarHBondContact O-CB 3.33Å; Y989-F993 WeakPolarHBondContact O-CD2 3.34Å; Y989-F993 WeakPolarHBondContact O-CG 3.47Å; Y989-F993 PolarHBondContact O-N 3.38Å; F993-I996 PolarHBondContact O-N 3.04Å; F993-G997 PolarHBondContact O-N 2.88Å; F993-I1038 HydrophobicContact CD1-CG2 4.32Å; F993-I1038 HydrophobicContact CE1-CG2 4Å; F993-W1041 HydrophobicContact CZ-CZ3 4.23Å; F993-A1042 HydrophobicContact CE2-CB 4.37Å; F993-A1042 HydrophobicContact CZ-CB 3.92Å; F993-L1047 HydrophobicContact CE2-CB 4.28Å; F993-L1047 HydrophobicContact CE2-CD1 4.34Å; F993-L1047 HydrophobicContact CZ-CD1 4.24Å; F993-A1050 HydrophobicContact CD2-CB 4.1Å; F993-A1050 HydrophobicContact CE2-CB 4.11Å; F993-V1051 HydrophobicContact CD1-CG2 4.34Å; F993-V1051 HydrophobicContact CD2-CB 3.83Å; F993-V1051 HydrophobicContact CD2-CG2 4.3Å; F993-V1051 HydrophobicContact CE1-CG2 4.38Å; F993-V1051 HydrophobicContact CE2-CB 3.72Å; F993-V1051 HydrophobicContact CE2-CG2 4.34Å; F993-V1051 HydrophobicContact CG-CB 4.34Å; F993-V1051 HydrophobicContact CG-CG2 4.31Å; F993-V1051 HydrophobicContact CZ-CB 4.12Å; F993-V1051 HydrophobicContact CZ-CG2 4.38Å; F993-R1054 HydrophobicContact CB-CB 3.83Å; F993-L1055 VanDerWaalsContact O-CD2 3.29Å; F993-L1055 WeakPolarHBondContact O-CD2 3.26Å |
| 994 | H | 92.1 | Very high | 90.5 | Very high | 12 Ų | 12 | 14.8 Ų | 14.8 | 6% | 0.056 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.6 | -43.5 | 174.3 | 179.4 | 74.1 | 0 | 0 | 0 | 112.1 | S990 Q991 I996 G997 A998 R1054 E1148 L1149 L1152 | S990-H994 WeakPolarHBondContact O-CB 3.25Å; S990-H994 PolarHBondContact O-N 3.28Å; Q991-H994 PolarHBondContact O-N 3.18Å; H994-I996 VanDerWaalsContact C-N 3.28Å; H994-I996 PolarHBondContact O-N 3.34Å; H994-G997 WeakPolarHBondContact O-CA 3.38Å; H994-G997 PolarHBondContact O-N 3.21Å; H994-G997 VanDerWaalsContact O-N 3.08Å; H994-A998 WeakPolarHBondContact O-CB 3.43Å; H994-A998 PolarHBondContact O-N 3.42Å; H994-R1054 HydrophobicContact CB-CB 4.29Å; H994-R1054 HydrophobicContact CB-CG 4.45Å; H994-E1148 IonicContact CE1-OE1 3.65Å; H994-E1148 PolarHBondContact CE1-OE1 3.07Å; H994-E1148 IonicContact ND1-OE1 2.74Å; H994-L1149 PolarHBondContact NE2-O 2.66Å; H994-L1149 VanDerWaalsContact NE2-O 3.12Å; H994-L1152 HydrophobicContact CB-CD2 4.29Å |
| 995 | L | 91.3 | Very high | 89.8 | Confident | 15 Ų | 15 | 14.7 Ų | 14.7 | 8% | 0.079 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.1 | -41.3 | 173.7 | -83.2 | 159 | 0 | 0 | 0 | 112.3 | R913 Y917 Q991 L992 Y999 K1150 | R913-L995 HydrophobicContact CG-CD1 4.34Å; Y917-L995 HydrophobicContact CD2-CB 3.87Å; Y917-L995 HydrophobicContact CD2-CD1 3.96Å; Y917-L995 HydrophobicContact CD2-CD2 3.94Å; Y917-L995 HydrophobicContact CD2-CG 4.16Å; Y917-L995 HydrophobicContact CE2-CB 3.98Å; Y917-L995 HydrophobicContact CE2-CD2 3.87Å; Y917-L995 HydrophobicContact CE2-CG 4.4Å; Y917-L995 HydrophobicContact CG-CD1 4.23Å; Y917-L995 HydrophobicContact CG-CD2 4.41Å; Q991-L995 PolarHBondContact O-N 3.48Å; L992-L995 PolarHBondContact O-N 3.3Å; L995-Y999 VanDerWaalsContact O-CB 3.3Å; L995-Y999 WeakPolarHBondContact O-CB 3.37Å; L995-Y999 PolarHBondContact O-N 3.15Å; L995-K1150 WeakPolarHBondContact CD2-O 3.3Å |
| 996 | I | 91.2 | Very high | 89 | Confident | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.015 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.5 | -42.4 | 174.1 | -67.6 | -178.9 | 0 | 0 | 0 | 111.4 | L924 L927 F968 L992 F993 H994 Y999 I1000 I1038 L1055 | L924-I996 HydrophobicContact CD2-CD1 4.16Å; L924-I996 HydrophobicContact CD2-CG1 3.83Å; L927-I996 HydrophobicContact CD1-CG2 3.74Å; F968-I996 HydrophobicContact CE2-CD1 4.12Å; F968-I996 HydrophobicContact CZ-CD1 3.55Å; L992-I996 WeakPolarHBondContact O-CG1 3.37Å; L992-I996 PolarHBondContact O-N 3.04Å; L992-I996 VanDerWaalsContact O-N 3.13Å; F993-I996 PolarHBondContact O-N 3.04Å; H994-I996 VanDerWaalsContact C-N 3.28Å; H994-I996 PolarHBondContact O-N 3.34Å; I996-Y999 PolarHBondContact O-N 3.14Å; I996-I1000 HydrophobicContact CG2-CD1 3.78Å; I996-I1000 HydrophobicContact CG2-CG1 4.42Å; I996-I1000 VanDerWaalsContact O-CG1 3.3Å; I996-I1000 WeakPolarHBondContact O-CG1 3.24Å; I996-I1000 PolarHBondContact O-N 2.99Å; I996-I1038 HydrophobicContact CG2-CD1 4.43Å; I996-L1055 HydrophobicContact CG2-CD2 4.46Å |
| 997 | G | 91.4 | Very high | 87.8 | Confident | 4 Ų | 4 | 15.2 Ų | 15.2 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.4 | -51.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F993 H994 Y999 I1000 F1001 C1058 | F993-G997 PolarHBondContact O-N 2.88Å; H994-G997 WeakPolarHBondContact O-CA 3.38Å; H994-G997 PolarHBondContact O-N 3.21Å; H994-G997 VanDerWaalsContact O-N 3.08Å; G997-Y999 PolarHBondContact O-N 2.84Å; G997-I1000 PolarHBondContact O-N 3.21Å; G997-F1001 VanDerWaalsContact O-CB 3.26Å; G997-F1001 WeakPolarHBondContact O-CB 3.45Å; G997-F1001 PolarHBondContact O-N 3.26Å; G997-C1058 PolarHBondContact O-SG 3.43Å |
| 998 | A | 89.3 | Confident | 86 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H994 N1002 E1148 L1149 | H994-A998 WeakPolarHBondContact O-CB 3.43Å; H994-A998 PolarHBondContact O-N 3.42Å; A998-N1002 WeakPolarHBondContact O-CB 3.13Å; A998-N1002 PolarHBondContact O-N 3.37Å; A998-N1002 PolarHBondContact O-OD1 2.85Å; A998-E1148 HydrophobicContact CB-CB 4.23Å; A998-E1148 HydrophobicContact CB-CG 3.74Å; A998-L1149 VanDerWaalsContact CB-O 3.25Å; A998-L1149 WeakPolarHBondContact CB-O 3.5Å |
| 999 | Y | 89.9 | Confident | 83.9 | Confident | 44 Ų | 44 | 24.2 Ų | 24.2 | 17% | 0.173 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.6 | -50.7 | 173.1 | 171.4 | -96.4 | 0 | 0 | 0 | 111.8 | L924 P925 T928 L995 I996 G997 T1003 | L924-Y999 HydrophobicContact CB-CD1 3.79Å; L924-Y999 HydrophobicContact CB-CE1 3.51Å; L924-Y999 HydrophobicContact CB-CE2 4.46Å; L924-Y999 HydrophobicContact CB-CG 4.39Å; L924-Y999 HydrophobicContact CD1-CD1 4.02Å; L924-Y999 HydrophobicContact CD1-CD2 4.14Å; L924-Y999 HydrophobicContact CD1-CE1 4.47Å; L924-Y999 HydrophobicContact CD1-CG 3.85Å; L924-Y999 HydrophobicContact CG-CD1 4.43Å; P925-Y999 WeakPolarHBondContact CG-OH 3.42Å; T928-Y999 HydrophobicContact CG2-CE1 3.75Å; L995-Y999 VanDerWaalsContact O-CB 3.3Å; L995-Y999 WeakPolarHBondContact O-CB 3.37Å; L995-Y999 PolarHBondContact O-N 3.15Å; I996-Y999 PolarHBondContact O-N 3.14Å; G997-Y999 PolarHBondContact O-N 2.84Å; Y999-T1003 HydrophobicContact CD2-CG2 4Å; Y999-T1003 HydrophobicContact CE2-CG2 3.86Å; Y999-T1003 WeakPolarHBondContact O-CB 3.38Å; Y999-T1003 PolarHBondContact O-N 3.09Å; Y999-T1003 PolarHBondContact O-OG1 3.18Å |
| 1000 | I | 89 | Confident | 81.3 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 178.5 | -69.3 | 169 | 0 | 0 | 0 | 110.3 | L927 I996 G997 N1002 V1004 L1031 L1035 C1058 | L927-I1000 HydrophobicContact CB-CD1 4.45Å; L927-I1000 HydrophobicContact CD1-CD1 4.06Å; L927-I1000 HydrophobicContact CD1-CG1 4.46Å; I996-I1000 HydrophobicContact CG2-CD1 3.78Å; I996-I1000 HydrophobicContact CG2-CG1 4.42Å; I996-I1000 VanDerWaalsContact O-CG1 3.3Å; I996-I1000 WeakPolarHBondContact O-CG1 3.24Å; I996-I1000 PolarHBondContact O-N 2.99Å; G997-I1000 PolarHBondContact O-N 3.21Å; I1000-N1002 PolarHBondContact O-N 3.3Å; I1000-V1004 HydrophobicContact CG2-CG2 4.35Å; I1000-V1004 WeakPolarHBondContact O-CB 3.44Å; I1000-V1004 VanDerWaalsContact O-CG2 3.23Å; I1000-V1004 WeakPolarHBondContact O-CG2 3.45Å; I1000-V1004 PolarHBondContact O-N 3.48Å; I1000-V1004 VanDerWaalsContact O-N 3.08Å; I1000-L1031 HydrophobicContact CD1-CD1 4.45Å; I1000-L1031 HydrophobicContact CG2-CD1 3.95Å; I1000-L1031 HydrophobicContact CG2-CD2 3.84Å; I1000-L1031 HydrophobicContact CG2-CG 4.44Å; I1000-L1035 HydrophobicContact CD1-CD2 3.81Å; I1000-C1058 HydrophobicContact CG2-CB 4.32Å |
| 1001 | F | 90.1 | Very high | 79.1 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -62.1 | -47.2 | -173.9 | -165.5 | -105.3 | 0 | 0 | 0 | 111.5 | G997 L1005 I1006 R1057 A1061 L1085 Q1089 E1148 | G997-F1001 VanDerWaalsContact O-CB 3.26Å; G997-F1001 WeakPolarHBondContact O-CB 3.45Å; G997-F1001 PolarHBondContact O-N 3.26Å; F1001-L1005 HydrophobicContact CD2-CD1 3.81Å; F1001-L1005 HydrophobicContact CE2-CD1 4.18Å; F1001-L1005 WeakPolarHBondContact O-CB 3.47Å; F1001-L1005 PolarHBondContact O-N 3.31Å; F1001-I1006 HydrophobicContact CD1-CD1 3.66Å; F1001-I1006 HydrophobicContact CE1-CD1 3.42Å; F1001-I1006 VanDerWaalsContact CE1-CD1 3.42Å; F1001-I1006 HydrophobicContact CZ-CD1 4.12Å; F1001-I1006 PolarHBondContact O-N 3.05Å; F1001-R1057 HydrophobicContact CD2-CG 3.99Å; F1001-R1057 HydrophobicContact CE2-CG 3.63Å; F1001-R1057 VanDerWaalsContact CZ-CD 3.47Å; F1001-R1057 HydrophobicContact CZ-CG 3.95Å; F1001-A1061 HydrophobicContact CE2-CB 4.24Å; F1001-L1085 HydrophobicContact CE2-CD2 3.68Å; F1001-L1085 HydrophobicContact CZ-CD2 3.82Å; F1001-Q1089 HydrophobicContact CE1-CG 3.8Å; F1001-Q1089 HydrophobicContact CZ-CB 4.07Å; F1001-Q1089 HydrophobicContact CZ-CG 3.73Å; F1001-E1148 HydrophobicContact CD1-CB 3.84Å |
| 1002 | N | 88.9 | Confident | 76.9 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -73.4 | -56.5 | -178.1 | -57.9 | 1.5 | 0 | 0 | 0 | 110.5 | A998 I1000 V1004 I1006 D1007 N1147 E1148 | A998-N1002 WeakPolarHBondContact O-CB 3.13Å; A998-N1002 PolarHBondContact O-N 3.37Å; A998-N1002 PolarHBondContact O-OD1 2.85Å; I1000-N1002 PolarHBondContact O-N 3.3Å; N1002-V1004 PolarHBondContact O-N 3.17Å; N1002-I1006 PolarHBondContact O-N 3.35Å; N1002-D1007 WeakPolarHBondContact O-CB 3.42Å; N1002-D1007 PolarHBondContact O-N 3.1Å; N1002-N1147 PolarHBondContact OD1-OD1 3.13Å; N1002-E1148 PolarHBondContact ND2-O 2.93Å; N1002-E1148 PolarHBondContact OD1-N 2.66Å |
| 1003 | T | 79.8 | Confident | 74.4 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 32% | 0.319 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -75.4 | -22.3 | -169.2 | 64.9 | 0 | 0 | 0 | 0 | 115.3 | Y999 | Y999-T1003 HydrophobicContact CD2-CG2 4Å; Y999-T1003 HydrophobicContact CE2-CG2 3.86Å; Y999-T1003 WeakPolarHBondContact O-CB 3.38Å; Y999-T1003 PolarHBondContact O-N 3.09Å; Y999-T1003 PolarHBondContact O-OG1 3.18Å |
| 1004 | V | 72.9 | Confident | 71.9 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -106.1 | -37.4 | -172.4 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | T928 I1000 N1002 N1020 W1022 | T928-V1004 HydrophobicContact CG2-CG2 3.25Å; I1000-V1004 HydrophobicContact CG2-CG2 4.35Å; I1000-V1004 WeakPolarHBondContact O-CB 3.44Å; I1000-V1004 VanDerWaalsContact O-CG2 3.23Å; I1000-V1004 WeakPolarHBondContact O-CG2 3.45Å; I1000-V1004 PolarHBondContact O-N 3.48Å; I1000-V1004 VanDerWaalsContact O-N 3.08Å; N1002-V1004 PolarHBondContact O-N 3.17Å; V1004-N1020 PolarHBondContact O-ND2 3.45Å; V1004-W1022 HydrophobicContact CG1-CB 3.61Å; V1004-W1022 HydrophobicContact CG1-CD2 3.66Å; V1004-W1022 HydrophobicContact CG1-CE3 4.4Å; V1004-W1022 HydrophobicContact CG1-CG 3.21Å |
| 1005 | L | 77.1 | Confident | 69.7 | Low | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -101.2 | -28.8 | -174.8 | -58.7 | 173.9 | 0 | 0 | 0 | 113 | F1001 W1022 L1023 A1061 I1065 W1092 L1093 | F1001-L1005 HydrophobicContact CD2-CD1 3.81Å; F1001-L1005 HydrophobicContact CE2-CD1 4.18Å; F1001-L1005 WeakPolarHBondContact O-CB 3.47Å; F1001-L1005 PolarHBondContact O-N 3.31Å; L1005-W1022 HydrophobicContact CD2-CB 4.34Å; L1005-L1023 HydrophobicContact CD2-CD2 3.99Å; L1005-A1061 HydrophobicContact CD1-CB 3.62Å; L1005-I1065 HydrophobicContact CD2-CD1 4Å; L1005-W1092 WeakPolarHBondContact O-CH2 3.4Å; L1005-W1092 WeakPolarHBondContact O-CZ3 3.48Å; L1005-L1093 HydrophobicContact CB-CD2 4.33Å |
| 1006 | I | 77.3 | Confident | 67.4 | Low | 13 Ų | 13 | 59.9 Ų | 59.9 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -114.8 | -56.2 | -172.9 | -66.2 | 161 | 0 | 0 | 0 | 113.5 | F1001 N1002 T1008 W1092 L1146 N1147 | F1001-I1006 HydrophobicContact CD1-CD1 3.66Å; F1001-I1006 HydrophobicContact CE1-CD1 3.42Å; F1001-I1006 VanDerWaalsContact CE1-CD1 3.42Å; F1001-I1006 HydrophobicContact CZ-CD1 4.12Å; F1001-I1006 PolarHBondContact O-N 3.05Å; N1002-I1006 PolarHBondContact O-N 3.35Å; I1006-T1008 PolarHBondContact O-N 2.88Å; I1006-W1092 WeakPolarHBondContact O-CZ2 3.23Å; I1006-L1146 HydrophobicContact CD1-CD1 4.16Å; I1006-L1146 HydrophobicContact CD1-CG 4.05Å; I1006-L1146 VanDerWaalsContact CD1-O 3.22Å; I1006-L1146 WeakPolarHBondContact CD1-O 3.31Å; I1006-L1146 HydrophobicContact CG1-CD1 4.26Å; I1006-L1146 HydrophobicContact CG1-CG 4.26Å; I1006-L1146 HydrophobicContact CG2-CD2 3.68Å; I1006-L1146 HydrophobicContact CG2-CG 3.78Å; I1006-N1147 WeakPolarHBondContact CB-OD1 3.47Å; I1006-N1147 WeakPolarHBondContact CD1-OD1 3.33Å; I1006-N1147 VanDerWaalsContact CG2-OD1 3.22Å; I1006-N1147 WeakPolarHBondContact CG2-OD1 3.33Å |
| 1007 | D | 67.4 | Low | 65 | Low | 90 Ų | 90 | 65.5 Ų | 65.5 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -70.5 | 13.9 | -169.3 | -62.5 | -33.2 | 0 | 0 | 0 | 113.5 | N1002 N1147 | N1002-D1007 WeakPolarHBondContact O-CB 3.42Å; N1002-D1007 PolarHBondContact O-N 3.1Å; D1007-N1147 PolarHBondContact OD1-ND2 3.16Å |
| 1008 | T | 56.4 | Low | 63 | Low | 44 Ų | 44 | 71.4 Ų | 71.4 | 27% | 0.27 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -84.1 | 130.2 | 174.7 | 59 | 0 | 0 | 0 | 0 | 111.3 | I1006 A1010 N1020 | I1006-T1008 PolarHBondContact O-N 2.88Å; T1008-A1010 PolarHBondContact O-N 3.08Å; T1008-N1020 VanDerWaalsContact CG2-ND2 3.29Å; T1008-N1020 WeakPolarHBondContact CG2-ND2 3.46Å; T1008-N1020 PolarHBondContact OG1-ND2 2.78Å |
| 1009 | E | 49.3 | Very low | 61.5 | Low | 176 Ų | 176 | 73.7 Ų | 73.7 | 82% | 0.822 | 40% | 0.404 | S | S | * | . | trans | -46 | 108 | -175.2 | -64.9 | -172.8 | 158.8 | 0 | 0 | 113.3 | K1011 | E1009-K1011 PolarHBondContact O-N 2.76Š| ||
| 1010 | A | 42.1 | Very low | 60.7 | Low | 67 Ų | 67 | 73.1 Ų | 73.1 | 55% | 0.554 | 40% | 0.404 | S | S | * | . | trans | -75.7 | 81.6 | -171 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1008 | T1008-A1010 PolarHBondContact O-N 3.08Š| ||
| 1011 | K | 44.3 | Very low | 60.3 | Low | 115 Ų | 115 | 75.2 Ų | 75.2 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | trans | -66.2 | 135.9 | 168.6 | -68.6 | 175.4 | -174.5 | 165.4 | 0 | 109.6 | E1009 | E1009-K1011 PolarHBondContact O-N 2.76Š| ||
| 1012 | P | 45.5 | Very low | 59.9 | Low | 104 Ų | 104 | 76.1 Ų | 76.1 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | trans | -65 | 151.4 | -178.2 | 26.3 | -34.3 | 0 | 0 | 0 | 112.2 | N1014 V1015 | P1012-N1014 PolarHBondContact O-N 2.94Å; P1012-V1015 PolarHBondContact O-N 3.25Å | ||
| 1013 | R | 42.2 | Very low | 59.8 | Low | 111 Ų | 111 | 76 Ų | 76 | 42% | 0.419 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 4.1 | -157.8 | -149 | 155.4 | 162.7 | -160.6 | -17.5 | 118.8 | A1095 V1103 D1105 I1108 | R1013-A1095 WeakPolarHBondContact CD-O 3.48Å; R1013-A1095 PolarHBondContact NE-O 2.78Å; R1013-A1095 VanDerWaalsContact NE-O 3.07Å; R1013-V1103 PolarHBondContact NH2-O 3.11Å; R1013-D1105 IonicContact CZ-OD1 2.75Å; R1013-D1105 IonicContact NH1-OD1 3.67Å; R1013-D1105 PolarHBondContact NH1-OD1 2.84Å; R1013-D1105 IonicContact NH2-OD1 3.15Å; R1013-D1105 PolarHBondContact NH2-OD1 3.41Å; R1013-I1108 VanDerWaalsContact NH2-CD1 3.29Å |
| 1014 | N | 42.6 | Very low | 60.1 | Low | 160 Ų | 160 | 74.5 Ų | 74.5 | 86% | 0.856 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | 6.9 | -171.3 | -68.3 | -35.4 | 0 | 0 | 0 | 114.7 | P1012 | P1012-N1014 PolarHBondContact O-N 2.94Š|
| 1015 | V | 45.1 | Very low | 60.8 | Low | 87 Ų | 87 | 77.9 Ų | 77.9 | 53% | 0.527 | 42% | 0.421 | S | S | . | . | trans | -97.3 | 104.7 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | P1012 N1017 | P1012-V1015 PolarHBondContact O-N 3.25Å; V1015-N1017 PolarHBondContact O-N 2.97Å; V1015-N1017 VanDerWaalsContact O-N 3.09Å | ||
| 1016 | L | 42.7 | Very low | 61.2 | Low | 173 Ų | 173 | 82.1 Ų | 82.1 | 91% | 0.906 | 44% | 0.443 | S | S | * | . | trans | -78.2 | 16.2 | -172.2 | -109.7 | 170 | 0 | 0 | 0 | 115.8 | ||||
| 1017 | N | 41.5 | Very low | 61.7 | Low | 121 Ų | 121 | 81.5 Ų | 81.5 | 65% | 0.647 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -119.1 | 125.5 | -180 | -69.2 | -15.5 | 0 | 0 | 0 | 110.6 | V1015 | V1015-N1017 PolarHBondContact O-N 2.97Å; V1015-N1017 VanDerWaalsContact O-N 3.09Å |
| 1018 | D | 49 | Very low | 62.7 | Low | 127 Ų | 127 | 77.2 Ų | 77.2 | 68% | 0.679 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 56.1 | 59.5 | 175.9 | -54.2 | -26.7 | 0 | 0 | 0 | 115.3 | ||
| 1019 | G | 57.9 | Low | 64.3 | Low | 50 Ų | 50 | 78 Ų | 78 | 52% | 0.515 | 42% | 0.424 | S | S | . | . | trans | -71.9 | 153 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1021 | G1019-L1021 PolarHBondContact O-N 2.72Š| ||
| 1020 | N | 73.4 | Confident | 66.1 | Low | 31 Ų | 31 | 71.4 Ų | 71.4 | 17% | 0.166 | 39% | 0.392 | C | S | . | . | trans | -61.4 | 112.5 | -178.9 | 177.9 | -1.2 | 0 | 0 | 0 | 110.7 | V1004 T1008 W1022 L1023 | V1004-N1020 PolarHBondContact O-ND2 3.45Å; T1008-N1020 VanDerWaalsContact CG2-ND2 3.29Å; T1008-N1020 WeakPolarHBondContact CG2-ND2 3.46Å; T1008-N1020 PolarHBondContact OG1-ND2 2.78Å; N1020-W1022 PolarHBondContact O-N 3.35Å; N1020-W1022 WeakPolarHBondContact OD1-CB 3.46Å; N1020-W1022 PolarHBondContact OD1-N 3.16Å; N1020-L1023 HydrophobicContact CB-CD1 4.17Å; N1020-L1023 HydrophobicContact CB-CG 4.21Å; N1020-L1023 PolarHBondContact O-N 3.4Å | ||
| 1021 | L | 80.2 | Confident | 68.4 | Low | 46 Ų | 46 | 68.2 Ų | 68.2 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -48.5 | -37 | 177.8 | 176.6 | 66.6 | 0 | 0 | 0 | 112.4 | P930 G1019 L1023 T1024 L1026 G1027 | P930-L1021 HydrophobicContact CB-CD2 3.45Å; P930-L1021 VanDerWaalsContact CB-CD2 3.45Å; G1019-L1021 PolarHBondContact O-N 2.72Å; L1021-L1023 VanDerWaalsContact C-N 3.26Å; L1021-L1023 PolarHBondContact O-N 2.68Å; L1021-T1024 VanDerWaalsContact O-CB 3.31Å; L1021-T1024 WeakPolarHBondContact O-CB 3.28Å; L1021-T1024 WeakPolarHBondContact O-CG2 3.34Å; L1021-T1024 PolarHBondContact O-N 3.34Å; L1021-T1024 PolarHBondContact O-OG1 2.74Å; L1021-L1026 HydrophobicContact CD1-CD2 4.41Å; L1021-G1027 VanDerWaalsContact O-CA 3.3Å; L1021-G1027 WeakPolarHBondContact O-CA 3.05Å; L1021-G1027 PolarHBondContact O-N 2.72Å |
| 1022 | W | 83.5 | Confident | 70.7 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 8% | 0.076 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -73.1 | -17.9 | -175.6 | -57.8 | 107 | 0 | 0 | 0 | 113.9 | T928 Y929 V1004 L1005 N1020 T1024 G1027 R1030 L1031 | T928-W1022 VanDerWaalsContact C-CZ2 3.44Å; T928-W1022 WeakPolarHBondContact O-CZ2 3.24Å; Y929-W1022 WeakPolarHBondContact O-CH2 3.48Å; Y929-W1022 WeakPolarHBondContact O-CZ2 3.15Å; V1004-W1022 HydrophobicContact CG1-CB 3.61Å; V1004-W1022 HydrophobicContact CG1-CD2 3.66Å; V1004-W1022 HydrophobicContact CG1-CE3 4.4Å; V1004-W1022 HydrophobicContact CG1-CG 3.21Å; L1005-W1022 HydrophobicContact CD2-CB 4.34Å; N1020-W1022 PolarHBondContact O-N 3.35Å; N1020-W1022 WeakPolarHBondContact OD1-CB 3.46Å; N1020-W1022 PolarHBondContact OD1-N 3.16Å; W1022-T1024 VanDerWaalsContact C-N 3.33Å; W1022-G1027 VanDerWaalsContact CE3-O 3.24Å; W1022-G1027 WeakPolarHBondContact CZ3-O 3.44Å; W1022-R1030 HydrophobicContact CH2-CB 4.27Å; W1022-R1030 HydrophobicContact CZ3-CB 3.9Å; W1022-L1031 HydrophobicContact CE3-CB 3.94Å; W1022-L1031 HydrophobicContact CZ3-CB 3.88Å |
| 1023 | L | 86.5 | Confident | 72.7 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -92.3 | 8 | 171.4 | -54.7 | 179.3 | 0 | 0 | 0 | 112.8 | L1005 N1020 L1021 I1065 W1092 L1093 H1096 S1098 | L1005-L1023 HydrophobicContact CD2-CD2 3.99Å; N1020-L1023 HydrophobicContact CB-CD1 4.17Å; N1020-L1023 HydrophobicContact CB-CG 4.21Å; N1020-L1023 PolarHBondContact O-N 3.4Å; L1021-L1023 VanDerWaalsContact C-N 3.26Å; L1021-L1023 PolarHBondContact O-N 2.68Å; L1023-I1065 HydrophobicContact CD2-CD1 4.04Å; L1023-I1065 WeakPolarHBondContact O-CG2 3.28Å; L1023-W1092 HydrophobicContact CD1-CH2 3.97Å; L1023-W1092 HydrophobicContact CD1-CZ3 3.83Å; L1023-W1092 HydrophobicContact CD2-CZ3 4.41Å; L1023-L1093 HydrophobicContact CD2-CD2 3.82Å; L1023-H1096 HydrophobicContact CD1-CB 3.6Å; L1023-H1096 WeakPolarHBondContact CD1-O 3.28Å; L1023-S1098 PolarHBondContact O-N 2.74Å |
| 1024 | T | 86 | Confident | 74.9 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -91.4 | 156.5 | 164.5 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | L1021 W1022 L1026 G1027 A1028 I1065 D1099 | L1021-T1024 VanDerWaalsContact O-CB 3.31Å; L1021-T1024 WeakPolarHBondContact O-CB 3.28Å; L1021-T1024 WeakPolarHBondContact O-CG2 3.34Å; L1021-T1024 PolarHBondContact O-N 3.34Å; L1021-T1024 PolarHBondContact O-OG1 2.74Å; W1022-T1024 VanDerWaalsContact C-N 3.33Å; T1024-L1026 PolarHBondContact O-N 3.27Å; T1024-L1026 PolarHBondContact OG1-N 3.37Å; T1024-G1027 PolarHBondContact O-N 2.8Å; T1024-G1027 PolarHBondContact OG1-N 3.05Å; T1024-A1028 WeakPolarHBondContact O-CB 3.21Å; T1024-A1028 PolarHBondContact O-N 3.4Å; T1024-I1065 WeakPolarHBondContact O-CG2 3.3Å; T1024-D1099 VanDerWaalsContact CA-OD1 3.26Å; T1024-D1099 WeakPolarHBondContact CA-OD1 3.36Å; T1024-D1099 WeakPolarHBondContact CB-OD1 3.45Å; T1024-D1099 VanDerWaalsContact CG2-OD1 3.29Å; T1024-D1099 WeakPolarHBondContact CG2-OD1 3.42Å |
| 1025 | R | 87.5 | Confident | 77.3 | Confident | 77 Ų | 77 | 49 Ų | 49 | 29% | 0.291 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.8 | -34 | 170.8 | -66.8 | 161.7 | -174 | -68.2 | -13.2 | 111.6 | S1029 M1066 A1067 D1099 | R1025-S1029 VanDerWaalsContact O-CB 3.23Å; R1025-S1029 WeakPolarHBondContact O-CB 3.49Å; R1025-S1029 PolarHBondContact O-N 2.71Å; R1025-M1066 PolarHBondContact NH1-O 3.24Å; R1025-A1067 VanDerWaalsContact CZ-O 3.29Å; R1025-A1067 PolarHBondContact NH1-O 2.9Å; R1025-A1067 PolarHBondContact NH2-O 2.94Å; R1025-D1099 WeakPolarHBondContact CB-OD2 3.48Å; R1025-D1099 WeakPolarHBondContact CD-OD2 3.42Å; R1025-D1099 WeakPolarHBondContact CG-OD2 3.43Å; R1025-D1099 PolarHBondContact N-OD2 3.27Å; R1025-D1099 IonicContact NE-OD2 2.64Å |
| 1026 | L | 85 | Confident | 79.4 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.8 | -49.4 | 180 | 179.1 | 61 | 0 | 0 | 0 | 111.6 | L1021 T1024 S1029 R1030 | L1021-L1026 HydrophobicContact CD1-CD2 4.41Å; T1024-L1026 PolarHBondContact O-N 3.27Å; T1024-L1026 PolarHBondContact OG1-N 3.37Å; L1026-S1029 PolarHBondContact O-N 3.08Å; L1026-R1030 WeakPolarHBondContact O-CG 3.28Å; L1026-R1030 PolarHBondContact O-N 3.3Å |
| 1027 | G | 87.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1021 W1022 T1024 S1029 R1030 L1031 | L1021-G1027 VanDerWaalsContact O-CA 3.3Å; L1021-G1027 WeakPolarHBondContact O-CA 3.05Å; L1021-G1027 PolarHBondContact O-N 2.72Å; W1022-G1027 VanDerWaalsContact CE3-O 3.24Å; W1022-G1027 WeakPolarHBondContact CZ3-O 3.44Å; T1024-G1027 PolarHBondContact O-N 2.8Å; T1024-G1027 PolarHBondContact OG1-N 3.05Å; G1027-S1029 VanDerWaalsContact C-N 3.27Å; G1027-S1029 PolarHBondContact O-N 2.9Å; G1027-R1030 PolarHBondContact O-N 2.83Å; G1027-R1030 VanDerWaalsContact O-N 3.1Å; G1027-L1031 WeakPolarHBondContact O-CB 3.3Å; G1027-L1031 PolarHBondContact O-N 2.96Å |
| 1028 | A | 89.6 | Confident | 84 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.5 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1024 N1032 C1062 I1065 M1066 | T1024-A1028 WeakPolarHBondContact O-CB 3.21Å; T1024-A1028 PolarHBondContact O-N 3.4Å; A1028-N1032 WeakPolarHBondContact O-CB 2.95Å; A1028-N1032 PolarHBondContact O-N 3.23Å; A1028-C1062 HydrophobicContact CB-CB 4.32Å; A1028-I1065 HydrophobicContact CB-CB 3.79Å; A1028-I1065 HydrophobicContact CB-CD1 4.29Å; A1028-I1065 HydrophobicContact CB-CG2 3.63Å; A1028-M1066 HydrophobicContact CB-CG 3.83Å |
| 1029 | S | 88.3 | Confident | 86.1 | Confident | 61 Ų | 61 | 29 Ų | 29 | 43% | 0.427 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 174.5 | -173 | 0 | 0 | 0 | 0 | 112.9 | R1025 L1026 G1027 R1033 | R1025-S1029 VanDerWaalsContact O-CB 3.23Å; R1025-S1029 WeakPolarHBondContact O-CB 3.49Å; R1025-S1029 PolarHBondContact O-N 2.71Å; L1026-S1029 PolarHBondContact O-N 3.08Å; G1027-S1029 VanDerWaalsContact C-N 3.27Å; G1027-S1029 PolarHBondContact O-N 2.9Å; S1029-R1033 WeakPolarHBondContact O-CB 3.33Å; S1029-R1033 PolarHBondContact O-N 2.95Å; S1029-R1033 VanDerWaalsContact O-N 3.07Å |
| 1030 | R | 88.7 | Confident | 87.6 | Confident | 36 Ų | 36 | 31.5 Ų | 31.5 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 174.1 | -74.6 | 178.5 | 178.8 | 145.2 | 8.4 | 111.2 | P930 D932 W1022 L1026 G1027 R1033 R1034 | P930-R1030 WeakPolarHBondContact O-CD 3.49Å; P930-R1030 PolarHBondContact O-NH1 3.47Å; D932-R1030 WeakPolarHBondContact OD1-CG 3.36Å; D932-R1030 IonicContact OD1-CZ 2.73Å; D932-R1030 IonicContact OD1-NE 3.05Å; D932-R1030 PolarHBondContact OD1-NE 3.48Å; D932-R1030 IonicContact OD2-CZ 3.44Å; D932-R1030 IonicContact OD2-NE 3.8Å; D932-R1030 PolarHBondContact OD2-NE 2.81Å; D932-R1030 IonicContact OD2-NH2 2.79Å; D932-R1030 PolarHBondContact OD2-NH2 3.18Å; W1022-R1030 HydrophobicContact CH2-CB 4.27Å; W1022-R1030 HydrophobicContact CZ3-CB 3.9Å; L1026-R1030 WeakPolarHBondContact O-CG 3.28Å; L1026-R1030 PolarHBondContact O-N 3.3Å; G1027-R1030 PolarHBondContact O-N 2.83Å; G1027-R1030 VanDerWaalsContact O-N 3.1Å; R1030-R1033 PolarHBondContact O-N 3.2Å; R1030-R1034 WeakPolarHBondContact O-CG 3.23Å; R1030-R1034 PolarHBondContact O-N 3.04Å |
| 1031 | L | 90.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 178.6 | -177.9 | 56.7 | 0 | 0 | 0 | 111.2 | I1000 W1022 G1027 R1033 R1034 L1035 | I1000-L1031 HydrophobicContact CD1-CD1 4.45Å; I1000-L1031 HydrophobicContact CG2-CD1 3.95Å; I1000-L1031 HydrophobicContact CG2-CD2 3.84Å; I1000-L1031 HydrophobicContact CG2-CG 4.44Å; W1022-L1031 HydrophobicContact CE3-CB 3.94Å; W1022-L1031 HydrophobicContact CZ3-CB 3.88Å; G1027-L1031 WeakPolarHBondContact O-CB 3.3Å; G1027-L1031 PolarHBondContact O-N 2.96Å; L1031-R1033 PolarHBondContact O-N 3.12Å; L1031-R1034 WeakPolarHBondContact O-CB 3.13Å; L1031-R1034 PolarHBondContact O-N 3.21Å; L1031-R1034 VanDerWaalsContact O-N 3.16Å; L1031-L1035 HydrophobicContact CD1-CG 4.46Å; L1031-L1035 HydrophobicContact CG-CD1 4.22Å; L1031-L1035 HydrophobicContact CG-CG 4.49Å; L1031-L1035 WeakPolarHBondContact O-CG 3.35Å; L1031-L1035 PolarHBondContact O-N 3.13Å |
| 1032 | N | 91 | Very high | 89.1 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 17% | 0.166 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 178.7 | -167.4 | 71.2 | 0 | 0 | 0 | 112.6 | A1028 R1034 L1035 D1036 C1062 M1066 | A1028-N1032 WeakPolarHBondContact O-CB 2.95Å; A1028-N1032 PolarHBondContact O-N 3.23Å; N1032-R1034 PolarHBondContact O-N 2.96Å; N1032-L1035 PolarHBondContact O-N 2.8Å; N1032-D1036 PolarHBondContact ND2-OD2 2.95Å; N1032-D1036 WeakPolarHBondContact O-CB 2.99Å; N1032-D1036 PolarHBondContact O-N 3.27Å; N1032-C1062 HydrophobicContact CB-CB 4.13Å; N1032-M1066 HydrophobicContact CB-CE 4.45Å |
| 1033 | R | 88.8 | Confident | 89.5 | Confident | 50 Ų | 50 | 32.5 Ų | 32.5 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55 | -39.8 | 172.6 | -179.9 | 174.4 | 65.7 | -144.1 | 0.5 | 111.9 | D932 D934 S1029 R1030 L1031 R1037 R1040 | D932-R1033 IonicContact OD1-CZ 3.91Å; D932-R1033 IonicContact OD1-NH1 3.82Å; D932-R1033 PolarHBondContact OD1-NH1 3.33Å; D932-R1033 IonicContact OD1-NH2 3.53Å; D932-R1033 PolarHBondContact OD1-NH2 3.29Å; D934-R1033 IonicContact OD1-CZ 3.9Å; D934-R1033 IonicContact OD1-NH2 2.64Å; D934-R1033 PolarHBondContact OD1-NH2 3.49Å; D934-R1033 IonicContact OD2-CZ 3.3Å; D934-R1033 VanDerWaalsContact OD2-CZ 3.27Å; D934-R1033 IonicContact OD2-NE 2.72Å; D934-R1033 PolarHBondContact OD2-NE 2.61Å; D934-R1033 IonicContact OD2-NH2 3.91Å; D934-R1033 PolarHBondContact OD2-NH2 2.88Å; S1029-R1033 WeakPolarHBondContact O-CB 3.33Å; S1029-R1033 PolarHBondContact O-N 2.95Å; S1029-R1033 VanDerWaalsContact O-N 3.07Å; R1030-R1033 PolarHBondContact O-N 3.2Å; L1031-R1033 PolarHBondContact O-N 3.12Å; R1033-R1037 PolarHBondContact O-N 3.18Å; R1033-R1040 PolarHBondContact O-NH2 2.83Å |
| 1034 | R | 88.6 | Confident | 89.6 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.8 | -47.5 | 178.5 | -64.9 | 169 | -167.6 | 174.9 | -2.6 | 112 | C926 L927 Y929 G931 D934 M961 R1030 L1031 N1032 D1036 R1037 I1038 | C926-R1034 PolarHBondContact O-NH1 3.38Å; L927-R1034 WeakPolarHBondContact O-CD 3.36Å; L927-R1034 PolarHBondContact O-NH1 3.17Å; Y929-R1034 PolarHBondContact O-NH1 2.87Å; Y929-R1034 PolarHBondContact O-NH2 3.22Å; G931-R1034 PolarHBondContact O-NH2 3.39Å; D934-R1034 IonicContact OD1-CZ 3.32Å; D934-R1034 IonicContact OD1-NE 3.37Å; D934-R1034 PolarHBondContact OD1-NE 3.26Å; D934-R1034 IonicContact OD1-NH2 3.53Å; D934-R1034 PolarHBondContact OD1-NH2 3.37Å; D934-R1034 VanDerWaalsContact OD2-CG 3.31Å; D934-R1034 WeakPolarHBondContact OD2-CG 3.36Å; D934-R1034 IonicContact OD2-CZ 2.86Å; D934-R1034 IonicContact OD2-NE 3.57Å; D934-R1034 PolarHBondContact OD2-NE 3.41Å; D934-R1034 IonicContact OD2-NH2 2.95Å; M961-R1034 HydrophobicContact CE-CB 4Å; M961-R1034 WeakPolarHBondContact CE-O 3.1Å; M961-R1034 HydrophobicContact SD-CB 3.71Å; M961-R1034 HydrophobicContact SD-CG 3.89Å; R1030-R1034 WeakPolarHBondContact O-CG 3.23Å; R1030-R1034 PolarHBondContact O-N 3.04Å; L1031-R1034 WeakPolarHBondContact O-CB 3.13Å; L1031-R1034 PolarHBondContact O-N 3.21Å; L1031-R1034 VanDerWaalsContact O-N 3.16Å; N1032-R1034 PolarHBondContact O-N 2.96Å; R1034-D1036 PolarHBondContact O-N 3.06Å; R1034-R1037 WeakPolarHBondContact O-CA 3.18Å; R1034-R1037 WeakPolarHBondContact O-CB 3.23Å; R1034-R1037 PolarHBondContact O-N 2.83Å; R1034-I1038 PolarHBondContact O-N 3.37Å |
| 1035 | L | 91.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.5 | -42.6 | 172.3 | -68.6 | 172.3 | 0 | 0 | 0 | 110.9 | I1000 L1031 N1032 R1037 I1038 K1039 L1055 C1058 | I1000-L1035 HydrophobicContact CD1-CD2 3.81Å; L1031-L1035 HydrophobicContact CD1-CG 4.46Å; L1031-L1035 HydrophobicContact CG-CD1 4.22Å; L1031-L1035 HydrophobicContact CG-CG 4.49Å; L1031-L1035 WeakPolarHBondContact O-CG 3.35Å; L1031-L1035 PolarHBondContact O-N 3.13Å; N1032-L1035 PolarHBondContact O-N 2.8Å; L1035-R1037 VanDerWaalsContact C-N 3.32Å; L1035-R1037 PolarHBondContact O-N 3.15Å; L1035-I1038 WeakPolarHBondContact O-CB 3.31Å; L1035-I1038 PolarHBondContact O-N 3.32Å; L1035-I1038 VanDerWaalsContact O-N 3.13Å; L1035-K1039 WeakPolarHBondContact O-CG 3.04Å; L1035-K1039 PolarHBondContact O-N 3.07Å; L1035-L1055 HydrophobicContact CD2-CD1 4.01Å; L1035-C1058 HydrophobicContact CD1-CB 3.86Å; L1035-C1058 HydrophobicContact CD2-CB 4.43Å |
| 1036 | D | 89.9 | Confident | 89.8 | Confident | 51 Ų | 51 | 36.6 Ų | 36.6 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.1 | -23.6 | 177.8 | -71.6 | -6.2 | 0 | 0 | 0 | 113.7 | N1032 R1034 K1039 R1040 | N1032-D1036 PolarHBondContact ND2-OD2 2.95Å; N1032-D1036 WeakPolarHBondContact O-CB 2.99Å; N1032-D1036 PolarHBondContact O-N 3.27Å; R1034-D1036 PolarHBondContact O-N 3.06Å; D1036-K1039 WeakPolarHBondContact OD1-CD 3.22Å; D1036-K1039 WeakPolarHBondContact OD1-CE 3.15Å; D1036-K1039 IonicContact OD1-NZ 3.98Å; D1036-K1039 PolarHBondContact OD1-NZ 3.42Å; D1036-R1040 VanDerWaalsContact O-CB 3.25Å; D1036-R1040 WeakPolarHBondContact O-CB 3.48Å; D1036-R1040 VanDerWaalsContact O-CG 3.24Å; D1036-R1040 WeakPolarHBondContact O-CG 3.45Å; D1036-R1040 PolarHBondContact O-N 2.86Å; D1036-R1040 PolarHBondContact O-NE 3.43Å |
| 1037 | R | 88.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 168.3 | -75.2 | 173.3 | 141.1 | -137 | -13.9 | 110.6 | D937 D938 M961 R1033 R1034 L1035 R1040 W1041 | D937-R1037 VanDerWaalsContact CB-NH2 3.33Å; D937-R1037 PolarHBondContact O-NH2 3.48Å; D937-R1037 IonicContact OD2-NH1 3.88Å; D938-R1037 VanDerWaalsContact N-NH2 3.17Å; D938-R1037 IonicContact OD1-CZ 3.03Å; D938-R1037 IonicContact OD1-NE 2.97Å; D938-R1037 PolarHBondContact OD1-NE 2.89Å; D938-R1037 IonicContact OD1-NH2 2.82Å; D938-R1037 PolarHBondContact OD1-NH2 3.34Å; M961-R1037 HydrophobicContact CE-CB 3.95Å; M961-R1037 HydrophobicContact SD-CB 4.11Å; M961-R1037 HydrophobicContact SD-CG 4.49Å; R1033-R1037 PolarHBondContact O-N 3.18Å; R1034-R1037 WeakPolarHBondContact O-CA 3.18Å; R1034-R1037 WeakPolarHBondContact O-CB 3.23Å; R1034-R1037 PolarHBondContact O-N 2.83Å; L1035-R1037 VanDerWaalsContact C-N 3.32Å; L1035-R1037 PolarHBondContact O-N 3.15Å; R1037-R1040 PolarHBondContact O-N 3.37Å; R1037-W1041 PolarHBondContact O-N 3.41Å |
| 1038 | I | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.2 | -48.9 | -177 | 0 | 0 | 0 | 110.3 | L927 M961 F968 F993 I996 R1034 L1035 R1040 W1041 A1042 V1051 L1055 | L927-I1038 HydrophobicContact CD2-CD1 4.27Å; M961-I1038 HydrophobicContact CE-CD1 3.85Å; M961-I1038 HydrophobicContact CE-CG1 3.33Å; F968-I1038 HydrophobicContact CE2-CG2 4.21Å; F993-I1038 HydrophobicContact CD1-CG2 4.32Å; F993-I1038 HydrophobicContact CE1-CG2 4Å; I996-I1038 HydrophobicContact CG2-CD1 4.43Å; R1034-I1038 PolarHBondContact O-N 3.37Å; L1035-I1038 WeakPolarHBondContact O-CB 3.31Å; L1035-I1038 PolarHBondContact O-N 3.32Å; L1035-I1038 VanDerWaalsContact O-N 3.13Å; I1038-R1040 PolarHBondContact O-N 3.47Å; I1038-W1041 PolarHBondContact O-N 3.06Å; I1038-A1042 WeakPolarHBondContact O-CB 3.21Å; I1038-A1042 PolarHBondContact O-N 3Å; I1038-V1051 HydrophobicContact CG2-CG2 4.06Å; I1038-L1055 HydrophobicContact CB-CD1 4.42Å; I1038-L1055 HydrophobicContact CD1-CD1 4.49Å; I1038-L1055 HydrophobicContact CG2-CD1 4.33Å |
| 1039 | K | 92.4 | Very high | 90.1 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 176.6 | -64.3 | 173.1 | -159.5 | 158.3 | 0 | 112 | L1035 D1036 W1041 A1042 H1043 V1051 T1059 | L1035-K1039 WeakPolarHBondContact O-CG 3.04Å; L1035-K1039 PolarHBondContact O-N 3.07Å; D1036-K1039 WeakPolarHBondContact OD1-CD 3.22Å; D1036-K1039 WeakPolarHBondContact OD1-CE 3.15Å; D1036-K1039 IonicContact OD1-NZ 3.98Å; D1036-K1039 PolarHBondContact OD1-NZ 3.42Å; K1039-W1041 VanDerWaalsContact C-N 3.31Å; K1039-W1041 PolarHBondContact O-N 3.31Å; K1039-A1042 PolarHBondContact O-N 3.13Å; K1039-H1043 WeakPolarHBondContact O-CB 3.37Å; K1039-H1043 PolarHBondContact O-N 2.89Å; K1039-V1051 HydrophobicContact CB-CG1 4.35Å; K1039-V1051 HydrophobicContact CG-CG1 4.2Å; K1039-V1051 HydrophobicContact CG-CG2 4.02Å; K1039-T1059 WeakPolarHBondContact CE-OG1 3.46Å; K1039-T1059 PolarHBondContact NZ-OG1 2.99Å |
| 1040 | R | 89.4 | Confident | 90.1 | Very high | 102 Ų | 102 | 37.5 Ų | 37.5 | 39% | 0.385 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.6 | -38.2 | 176.4 | -80.9 | 173.5 | -85.5 | 153.9 | -8.5 | 112.4 | R1033 D1036 R1037 I1038 R1044 | R1033-R1040 PolarHBondContact O-NH2 2.83Å; D1036-R1040 VanDerWaalsContact O-CB 3.25Å; D1036-R1040 WeakPolarHBondContact O-CB 3.48Å; D1036-R1040 VanDerWaalsContact O-CG 3.24Å; D1036-R1040 WeakPolarHBondContact O-CG 3.45Å; D1036-R1040 PolarHBondContact O-N 2.86Å; D1036-R1040 PolarHBondContact O-NE 3.43Å; R1037-R1040 PolarHBondContact O-N 3.37Å; I1038-R1040 PolarHBondContact O-N 3.47Å; R1040-R1044 WeakPolarHBondContact O-CG 3.14Å; R1040-R1044 PolarHBondContact O-N 3.19Å; R1040-R1044 PolarHBondContact O-NH1 3.26Å |
| 1041 | W | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.2 | -49.3 | 173.6 | 177.3 | 91.1 | 0 | 0 | 0 | 111.9 | L965 F968 T969 M972 Y989 F993 R1037 I1038 K1039 H1043 R1044 Q1045 L1047 | L965-W1041 HydrophobicContact CD2-CB 3.88Å; L965-W1041 HydrophobicContact CD2-CG 4.04Å; F968-W1041 VanDerWaalsContact C-CZ2 3.47Å; F968-W1041 HydrophobicContact CB-CD2 4.45Å; F968-W1041 HydrophobicContact CB-CE3 4.4Å; F968-W1041 HydrophobicContact CB-CH2 3.66Å; F968-W1041 HydrophobicContact CB-CZ2 3.65Å; F968-W1041 HydrophobicContact CB-CZ3 4.03Å; F968-W1041 HydrophobicContact CD2-CE3 4.26Å; F968-W1041 HydrophobicContact CD2-CZ3 4.24Å; F968-W1041 HydrophobicContact CG-CH2 4.41Å; F968-W1041 HydrophobicContact CG-CZ3 4.37Å; F968-W1041 WeakPolarHBondContact O-CZ2 3.1Å; T969-W1041 PolarHBondContact OG1-NE1 3.15Å; M972-W1041 HydrophobicContact CB-CH2 4.47Å; M972-W1041 HydrophobicContact CB-CZ2 4.41Å; M972-W1041 HydrophobicContact CE-CH2 4.5Å; Y989-W1041 HydrophobicContact CD1-CH2 4.37Å; Y989-W1041 HydrophobicContact CD1-CZ3 4.24Å; Y989-W1041 AromaticContact CE1-CH2 3.65Å; Y989-W1041 HydrophobicContact CE1-CH2 3.65Å; Y989-W1041 AromaticContact CE1-CZ3 3.92Å; Y989-W1041 HydrophobicContact CE1-CZ3 3.92Å; F993-W1041 HydrophobicContact CZ-CZ3 4.23Å; R1037-W1041 PolarHBondContact O-N 3.41Å; I1038-W1041 PolarHBondContact O-N 3.06Å; K1039-W1041 VanDerWaalsContact C-N 3.31Å; K1039-W1041 PolarHBondContact O-N 3.31Å; W1041-H1043 PolarHBondContact O-N 3.12Å; W1041-R1044 WeakPolarHBondContact O-CB 3.38Å; W1041-R1044 PolarHBondContact O-N 3.35Å; W1041-Q1045 HydrophobicContact CD2-CG 4.19Å; W1041-Q1045 HydrophobicContact CE3-CG 4.35Å; W1041-Q1045 HydrophobicContact CH2-CG 3.71Å; W1041-Q1045 HydrophobicContact CZ2-CG 3.54Å; W1041-Q1045 HydrophobicContact CZ3-CG 4.13Å; W1041-Q1045 PolarHBondContact O-N 3.49Å; W1041-L1047 HydrophobicContact CH2-CD1 4.5Å; W1041-L1047 HydrophobicContact CZ3-CD1 4.18Å |
| 1042 | A | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F993 I1038 K1039 R1044 Q1045 G1046 L1047 V1051 | F993-A1042 HydrophobicContact CE2-CB 4.37Å; F993-A1042 HydrophobicContact CZ-CB 3.92Å; I1038-A1042 WeakPolarHBondContact O-CB 3.21Å; I1038-A1042 PolarHBondContact O-N 3Å; K1039-A1042 PolarHBondContact O-N 3.13Å; A1042-R1044 VanDerWaalsContact C-N 3.33Å; A1042-R1044 PolarHBondContact O-N 3.02Å; A1042-Q1045 CarbonylContact O-C 3.57Å; A1042-Q1045 WeakPolarHBondContact O-CA 3.49Å; A1042-Q1045 PolarHBondContact O-N 3.44Å; A1042-G1046 PolarHBondContact O-N 2.94Å; A1042-L1047 HydrophobicContact CB-CB 3.91Å; A1042-L1047 PolarHBondContact O-N 2.94Å; A1042-V1051 HydrophobicContact CB-CB 3.77Å; A1042-V1051 HydrophobicContact CB-CG1 3.55Å; A1042-V1051 HydrophobicContact CB-CG2 4.24Å |
| 1043 | H | 90.9 | Very high | 89.9 | Confident | 118 Ų | 118 | 42.3 Ų | 42.3 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.6 | -36.3 | 172.3 | 176.3 | -111.6 | 0 | 0 | 0 | 112.7 | K1039 W1041 Q1045 G1046 E1048 | K1039-H1043 WeakPolarHBondContact O-CB 3.37Å; K1039-H1043 PolarHBondContact O-N 2.89Å; W1041-H1043 PolarHBondContact O-N 3.12Å; H1043-Q1045 PolarHBondContact O-N 3.1Å; H1043-G1046 PolarHBondContact O-N 3.39Å; H1043-E1048 HydrophobicContact CB-CB 4.31Å; H1043-E1048 IonicContact CD2-OE2 3.11Å |
| 1044 | R | 87.9 | Confident | 90 | Very high | 110 Ų | 110 | 41.8 Ų | 41.8 | 42% | 0.415 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.2 | -34.9 | 170.6 | -72.4 | -171.4 | -72.4 | -82.1 | 16.7 | 111.8 | R220 D943 R1040 W1041 A1042 | R220-R1044 PolarHBondContact NH2-O 3.42Å; D943-R1044 IonicContact OD1-NH2 3.86Å; D943-R1044 PolarHBondContact OD1-NH2 3.29Å; D943-R1044 IonicContact OD2-CZ 3.05Å; D943-R1044 VanDerWaalsContact OD2-CZ 3.22Å; D943-R1044 IonicContact OD2-NE 3.75Å; D943-R1044 PolarHBondContact OD2-NE 3.47Å; D943-R1044 IonicContact OD2-NH2 3.42Å; D943-R1044 PolarHBondContact OD2-NH2 2.9Å; R1040-R1044 WeakPolarHBondContact O-CG 3.14Å; R1040-R1044 PolarHBondContact O-N 3.19Å; R1040-R1044 PolarHBondContact O-NH1 3.26Å; W1041-R1044 WeakPolarHBondContact O-CB 3.38Å; W1041-R1044 PolarHBondContact O-N 3.35Å; A1042-R1044 VanDerWaalsContact C-N 3.33Å; A1042-R1044 PolarHBondContact O-N 3.02Å |
| 1045 | Q | 91 | Very high | 90.2 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -88 | -10 | -178.3 | -54.2 | -55.6 | -18.1 | 0 | 0 | 115.4 | M972 R976 W1041 A1042 H1043 L1047 | M972-Q1045 HydrophobicContact CE-CB 4.2Å; M972-Q1045 HydrophobicContact CG-CG 4.4Å; R976-Q1045 VanDerWaalsContact CZ-OE1 3.3Å; R976-Q1045 PolarHBondContact NH2-O 3.13Å; W1041-Q1045 HydrophobicContact CD2-CG 4.19Å; W1041-Q1045 HydrophobicContact CE3-CG 4.35Å; W1041-Q1045 HydrophobicContact CH2-CG 3.71Å; W1041-Q1045 HydrophobicContact CZ2-CG 3.54Å; W1041-Q1045 HydrophobicContact CZ3-CG 4.13Å; W1041-Q1045 PolarHBondContact O-N 3.49Å; A1042-Q1045 CarbonylContact O-C 3.57Å; A1042-Q1045 WeakPolarHBondContact O-CA 3.49Å; A1042-Q1045 PolarHBondContact O-N 3.44Å; H1043-Q1045 PolarHBondContact O-N 3.1Å; Q1045-L1047 HydrophobicContact CB-CD1 4.4Å; Q1045-L1047 HydrophobicContact CB-CG 4.45Å |
| 1046 | G | 86.7 | Confident | 90.1 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 37% | 0.371 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 32 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1042 H1043 E1048 | A1042-G1046 PolarHBondContact O-N 2.94Å; H1043-G1046 PolarHBondContact O-N 3.39Å; G1046-E1048 VanDerWaalsContact CA-OE2 3.3Å; G1046-E1048 WeakPolarHBondContact CA-OE2 3.5Å |
| 1047 | L | 91.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | trans | -115.8 | 15.8 | -179.8 | -69.7 | 175.8 | 0 | 0 | 0 | 112.8 | M972 F986 Y989 F993 W1041 A1042 Q1045 L1049 A1050 V1051 | M972-L1047 HydrophobicContact CE-CD1 3.54Å; M972-L1047 HydrophobicContact CE-CG 4.28Å; F986-L1047 HydrophobicContact CD2-CD2 3.95Å; Y989-L1047 HydrophobicContact CD1-CD1 3.81Å; Y989-L1047 HydrophobicContact CD2-CD1 3.86Å; Y989-L1047 HydrophobicContact CE1-CD1 4.41Å; Y989-L1047 HydrophobicContact CE2-CD1 4.47Å; Y989-L1047 HydrophobicContact CG-CD1 3.5Å; Y989-L1047 VanDerWaalsContact CG-CD1 3.5Å; F993-L1047 HydrophobicContact CE2-CB 4.28Å; F993-L1047 HydrophobicContact CE2-CD1 4.34Å; F993-L1047 HydrophobicContact CZ-CD1 4.24Å; W1041-L1047 HydrophobicContact CH2-CD1 4.5Å; W1041-L1047 HydrophobicContact CZ3-CD1 4.18Å; A1042-L1047 HydrophobicContact CB-CB 3.91Å; A1042-L1047 PolarHBondContact O-N 2.94Å; Q1045-L1047 HydrophobicContact CB-CD1 4.4Å; Q1045-L1047 HydrophobicContact CB-CG 4.45Å; L1047-L1049 PolarHBondContact O-N 3.25Å; L1047-A1050 PolarHBondContact O-N 2.73Å; L1047-V1051 PolarHBondContact O-N 3.24Å | ||
| 1048 | E | 91.3 | Very high | 90.3 | Very high | 65 Ų | 65 | 43.7 Ų | 43.7 | 30% | 0.304 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -49 | -51.8 | -178 | 50.3 | -93.4 | -147.1 | 0 | 0 | 113.1 | H1043 G1046 A1050 V1051 E1052 | H1043-E1048 HydrophobicContact CB-CB 4.31Å; H1043-E1048 IonicContact CD2-OE2 3.11Å; G1046-E1048 VanDerWaalsContact CA-OE2 3.3Å; G1046-E1048 WeakPolarHBondContact CA-OE2 3.5Å; E1048-A1050 VanDerWaalsContact C-N 3.29Å; E1048-A1050 PolarHBondContact O-N 2.74Å; E1048-V1051 WeakPolarHBondContact O-CG1 3.42Å; E1048-V1051 PolarHBondContact O-N 3.49Å; E1048-E1052 VanDerWaalsContact O-CB 3.29Å; E1048-E1052 WeakPolarHBondContact O-CB 3.3Å; E1048-E1052 VanDerWaalsContact O-CG 3.27Å; E1048-E1052 WeakPolarHBondContact O-CG 3.41Å; E1048-E1052 PolarHBondContact O-N 3.23Å |
| 1049 | L | 85.6 | Confident | 90.3 | Very high | 96 Ų | 96 | 44 Ų | 44 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -31.3 | -178.9 | -59.4 | 178 | 0 | 0 | 0 | 113.1 | F986 L1047 C1053 | F986-L1049 HydrophobicContact CE2-CB 4.45Å; F986-L1049 HydrophobicContact CZ-CB 4.31Å; L1047-L1049 PolarHBondContact O-N 3.25Å; L1049-C1053 WeakPolarHBondContact O-CB 3.35Å; L1049-C1053 PolarHBondContact O-N 3.36Å |
| 1050 | A | 88.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.4 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F986 F993 L1047 E1048 R1054 | F986-A1050 HydrophobicContact CD2-CB 4.24Å; F986-A1050 HydrophobicContact CE1-CB 4.1Å; F986-A1050 HydrophobicContact CE2-CB 3.75Å; F986-A1050 HydrophobicContact CZ-CB 3.68Å; F993-A1050 HydrophobicContact CD2-CB 4.1Å; F993-A1050 HydrophobicContact CE2-CB 4.11Å; L1047-A1050 PolarHBondContact O-N 2.73Å; E1048-A1050 VanDerWaalsContact C-N 3.29Å; E1048-A1050 PolarHBondContact O-N 2.74Å; A1050-R1054 WeakPolarHBondContact O-CB 3.28Å; A1050-R1054 VanDerWaalsContact O-CG 3.22Å; A1050-R1054 WeakPolarHBondContact O-CG 3.39Å; A1050-R1054 PolarHBondContact O-N 3.12Å; A1050-R1054 VanDerWaalsContact O-N 3.15Å |
| 1051 | V | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.9 | -37.5 | -179.5 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | F993 I1038 K1039 A1042 L1047 E1048 L1055 | F993-V1051 HydrophobicContact CD1-CG2 4.34Å; F993-V1051 HydrophobicContact CD2-CB 3.83Å; F993-V1051 HydrophobicContact CD2-CG2 4.3Å; F993-V1051 HydrophobicContact CE1-CG2 4.38Å; F993-V1051 HydrophobicContact CE2-CB 3.72Å; F993-V1051 HydrophobicContact CE2-CG2 4.34Å; F993-V1051 HydrophobicContact CG-CB 4.34Å; F993-V1051 HydrophobicContact CG-CG2 4.31Å; F993-V1051 HydrophobicContact CZ-CB 4.12Å; F993-V1051 HydrophobicContact CZ-CG2 4.38Å; I1038-V1051 HydrophobicContact CG2-CG2 4.06Å; K1039-V1051 HydrophobicContact CB-CG1 4.35Å; K1039-V1051 HydrophobicContact CG-CG1 4.2Å; K1039-V1051 HydrophobicContact CG-CG2 4.02Å; A1042-V1051 HydrophobicContact CB-CB 3.77Å; A1042-V1051 HydrophobicContact CB-CG1 3.55Å; A1042-V1051 HydrophobicContact CB-CG2 4.24Å; L1047-V1051 PolarHBondContact O-N 3.24Å; E1048-V1051 WeakPolarHBondContact O-CG1 3.42Å; E1048-V1051 PolarHBondContact O-N 3.49Å; V1051-L1055 HydrophobicContact CG2-CD1 3.55Å; V1051-L1055 HydrophobicContact CG2-CG 4.13Å; V1051-L1055 VanDerWaalsContact O-CB 3.31Å; V1051-L1055 WeakPolarHBondContact O-CB 3.35Å; V1051-L1055 PolarHBondContact O-N 2.89Å |
| 1052 | E | 88.2 | Confident | 90.5 | Very high | 100 Ų | 100 | 38 Ų | 38 | 47% | 0.467 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66 | -51 | 178.9 | -74.8 | 172.8 | -178.7 | 0 | 0 | 110.3 | E1048 R1054 Q1056 | E1048-E1052 VanDerWaalsContact O-CB 3.29Å; E1048-E1052 WeakPolarHBondContact O-CB 3.3Å; E1048-E1052 VanDerWaalsContact O-CG 3.27Å; E1048-E1052 WeakPolarHBondContact O-CG 3.41Å; E1048-E1052 PolarHBondContact O-N 3.23Å; E1052-R1054 PolarHBondContact O-N 3.06Å; E1052-Q1056 WeakPolarHBondContact O-CA 3.43Å; E1052-Q1056 VanDerWaalsContact O-CB 3.31Å; E1052-Q1056 WeakPolarHBondContact O-CB 3.26Å; E1052-Q1056 PolarHBondContact O-N 3.44Å; E1052-Q1056 VanDerWaalsContact O-N 3.08Å |
| 1053 | C | 84.7 | Confident | 90.4 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 47% | 0.466 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57 | -48.2 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | L1049 | L1049-C1053 WeakPolarHBondContact O-CB 3.35Å; L1049-C1053 PolarHBondContact O-N 3.36Å |
| 1054 | R | 89.9 | Confident | 90.5 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -86.6 | -15.5 | -169.8 | -56.9 | -59.2 | 179.6 | -159.9 | -3.6 | 115.2 | S990 F993 H994 A1050 E1052 E1126 Y1130 I1154 | S990-R1054 WeakPolarHBondContact O-CG 3.39Å; S990-R1054 PolarHBondContact OG-NE 3.36Å; F993-R1054 HydrophobicContact CB-CB 3.83Å; H994-R1054 HydrophobicContact CB-CB 4.29Å; H994-R1054 HydrophobicContact CB-CG 4.45Å; A1050-R1054 WeakPolarHBondContact O-CB 3.28Å; A1050-R1054 VanDerWaalsContact O-CG 3.22Å; A1050-R1054 WeakPolarHBondContact O-CG 3.39Å; A1050-R1054 PolarHBondContact O-N 3.12Å; A1050-R1054 VanDerWaalsContact O-N 3.15Å; E1052-R1054 PolarHBondContact O-N 3.06Å; R1054-E1126 IonicContact NH1-OE1 3.77Å; R1054-Y1130 PolarHBondContact NH1-OH 3.13Å; R1054-I1154 VanDerWaalsContact NH2-CD1 3.27Å |
| 1055 | L | 92.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 11.4 | 169.8 | -56.6 | -177.7 | 0 | 0 | 0 | 112.8 | F993 I996 L1035 I1038 V1051 R1057 T1059 | F993-L1055 VanDerWaalsContact O-CD2 3.29Å; F993-L1055 WeakPolarHBondContact O-CD2 3.26Å; I996-L1055 HydrophobicContact CG2-CD2 4.46Å; L1035-L1055 HydrophobicContact CD2-CD1 4.01Å; I1038-L1055 HydrophobicContact CB-CD1 4.42Å; I1038-L1055 HydrophobicContact CD1-CD1 4.49Å; I1038-L1055 HydrophobicContact CG2-CD1 4.33Å; V1051-L1055 HydrophobicContact CG2-CD1 3.55Å; V1051-L1055 HydrophobicContact CG2-CG 4.13Å; V1051-L1055 VanDerWaalsContact O-CB 3.31Å; V1051-L1055 WeakPolarHBondContact O-CB 3.35Å; V1051-L1055 PolarHBondContact O-N 2.89Å; L1055-R1057 PolarHBondContact O-N 3.44Å; L1055-T1059 WeakPolarHBondContact O-CB 3.37Å; L1055-T1059 PolarHBondContact O-N 3.28Å; L1055-T1059 PolarHBondContact O-OG1 3.36Å |
| 1056 | Q | 90.5 | Very high | 90.5 | Very high | 70 Ų | 70 | 31.8 Ų | 31.8 | 33% | 0.327 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | -177.8 | -171 | 67.8 | -34.6 | 0 | 0 | 111.8 | E1052 C1058 T1059 Q1060 | E1052-Q1056 WeakPolarHBondContact O-CA 3.43Å; E1052-Q1056 VanDerWaalsContact O-CB 3.31Å; E1052-Q1056 WeakPolarHBondContact O-CB 3.26Å; E1052-Q1056 PolarHBondContact O-N 3.44Å; E1052-Q1056 VanDerWaalsContact O-N 3.08Å; Q1056-C1058 PolarHBondContact O-N 3.33Å; Q1056-T1059 CarbonylContact O-C 3.49Å; Q1056-T1059 WeakPolarHBondContact O-CB 3.34Å; Q1056-T1059 PolarHBondContact O-N 3.49Å; Q1056-T1059 VanDerWaalsContact O-N 3.12Å; Q1056-Q1060 HydrophobicContact CG-CG 4.19Å; Q1056-Q1060 WeakPolarHBondContact O-CB 3.14Å; Q1056-Q1060 WeakPolarHBondContact O-CG 3.44Å; Q1056-Q1060 PolarHBondContact O-N 3.32Å |
| 1057 | R | 89.8 | Confident | 90.7 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | -178.2 | -164.4 | 179.9 | -61.1 | 157.4 | 20.9 | 112.5 | F1001 L1055 T1059 Q1060 A1061 S1084 L1085 E1148 | F1001-R1057 HydrophobicContact CD2-CG 3.99Å; F1001-R1057 HydrophobicContact CE2-CG 3.63Å; F1001-R1057 VanDerWaalsContact CZ-CD 3.47Å; F1001-R1057 HydrophobicContact CZ-CG 3.95Å; L1055-R1057 PolarHBondContact O-N 3.44Å; R1057-T1059 VanDerWaalsContact C-N 3.33Å; R1057-T1059 PolarHBondContact O-N 3.14Å; R1057-Q1060 PolarHBondContact O-N 3.23Å; R1057-A1061 WeakPolarHBondContact O-CB 3.48Å; R1057-A1061 PolarHBondContact O-N 3.15Å; R1057-S1084 VanDerWaalsContact CA-OG 3.31Å; R1057-S1084 WeakPolarHBondContact CA-OG 3.48Å; R1057-S1084 WeakPolarHBondContact CD-O 3.26Å; R1057-S1084 WeakPolarHBondContact CG-O 3.11Å; R1057-S1084 PolarHBondContact N-OG 3.14Å; R1057-S1084 PolarHBondContact NE-O 3.19Å; R1057-L1085 HydrophobicContact CG-CD2 3.52Å; R1057-L1085 HydrophobicContact CG-CG 4.3Å; R1057-E1148 IonicContact CZ-OE1 3.02Å; R1057-E1148 VanDerWaalsContact CZ-OE1 3.31Å; R1057-E1148 IonicContact CZ-OE2 3.55Å; R1057-E1148 VanDerWaalsContact CZ-OE2 3.24Å; R1057-E1148 IonicContact NH1-OE1 2.68Å; R1057-E1148 PolarHBondContact NH1-OE1 3.27Å; R1057-E1148 IonicContact NH1-OE2 3.48Å; R1057-E1148 PolarHBondContact NH1-OE2 3.39Å; R1057-E1148 IonicContact NH2-OE1 3.29Å; R1057-E1148 PolarHBondContact NH2-OE1 3.27Å; R1057-E1148 IonicContact NH2-OE2 2.77Å; R1057-E1148 PolarHBondContact NH2-OE2 3.28Å |
| 1058 | C | 92 | Very high | 90.4 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 174.5 | -48 | 0 | 0 | 0 | 0 | 111.7 | G997 I1000 L1035 Q1056 C1062 | G997-C1058 PolarHBondContact O-SG 3.43Å; I1000-C1058 HydrophobicContact CG2-CB 4.32Å; L1035-C1058 HydrophobicContact CD1-CB 3.86Å; L1035-C1058 HydrophobicContact CD2-CB 4.43Å; Q1056-C1058 PolarHBondContact O-N 3.33Å; C1058-C1062 PolarHBondContact O-N 2.95Å; C1058-C1062 PolarHBondContact O-SG 3.02Å |
| 1059 | T | 92.8 | Very high | 90.2 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | K1039 L1055 Q1056 R1057 C1062 Q1063 | K1039-T1059 WeakPolarHBondContact CE-OG1 3.46Å; K1039-T1059 PolarHBondContact NZ-OG1 2.99Å; L1055-T1059 WeakPolarHBondContact O-CB 3.37Å; L1055-T1059 PolarHBondContact O-N 3.28Å; L1055-T1059 PolarHBondContact O-OG1 3.36Å; Q1056-T1059 CarbonylContact O-C 3.49Å; Q1056-T1059 WeakPolarHBondContact O-CB 3.34Å; Q1056-T1059 PolarHBondContact O-N 3.49Å; Q1056-T1059 VanDerWaalsContact O-N 3.12Å; R1057-T1059 VanDerWaalsContact C-N 3.33Å; R1057-T1059 PolarHBondContact O-N 3.14Å; T1059-C1062 WeakPolarHBondContact O-CB 3.33Å; T1059-C1062 PolarHBondContact O-N 3.05Å; T1059-Q1063 WeakPolarHBondContact O-CG 3.15Å; T1059-Q1063 PolarHBondContact O-N 3.47Å |
| 1060 | Q | 93.5 | Very high | 90.1 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.8 | -35.2 | 178.5 | -73.9 | -169.4 | -9.6 | 0 | 0 | 112.5 | Q1056 R1057 Q1063 L1064 L1082 S1084 L1085 | Q1056-Q1060 HydrophobicContact CG-CG 4.19Å; Q1056-Q1060 WeakPolarHBondContact O-CB 3.14Å; Q1056-Q1060 WeakPolarHBondContact O-CG 3.44Å; Q1056-Q1060 PolarHBondContact O-N 3.32Å; R1057-Q1060 PolarHBondContact O-N 3.23Å; Q1060-Q1063 WeakPolarHBondContact O-CB 3.35Å; Q1060-Q1063 PolarHBondContact O-N 2.66Å; Q1060-L1064 PolarHBondContact O-N 3.21Å; Q1060-L1082 HydrophobicContact CB-CB 4.27Å; Q1060-L1082 HydrophobicContact CB-CD2 4.02Å; Q1060-L1082 HydrophobicContact CG-CD2 4.02Å; Q1060-L1082 VanDerWaalsContact OE1-CA 3.29Å; Q1060-L1082 PolarHBondContact OE1-O 3.37Å; Q1060-S1084 PolarHBondContact OE1-OG 3.5Å; Q1060-L1085 HydrophobicContact CB-CD1 4.4Å |
| 1061 | A | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1001 L1005 R1057 Q1063 L1064 I1065 L1085 L1093 | F1001-A1061 HydrophobicContact CE2-CB 4.24Å; L1005-A1061 HydrophobicContact CD1-CB 3.62Å; R1057-A1061 WeakPolarHBondContact O-CB 3.48Å; R1057-A1061 PolarHBondContact O-N 3.15Å; A1061-Q1063 VanDerWaalsContact C-N 3.32Å; A1061-Q1063 PolarHBondContact O-N 2.64Å; A1061-L1064 WeakPolarHBondContact O-CB 3.37Å; A1061-L1064 PolarHBondContact O-N 3.26Å; A1061-I1065 VanDerWaalsContact O-CD1 3.31Å; A1061-I1065 WeakPolarHBondContact O-CD1 3.5Å; A1061-I1065 VanDerWaalsContact O-CG1 3.26Å; A1061-I1065 WeakPolarHBondContact O-CG1 3.35Å; A1061-I1065 PolarHBondContact O-N 3.3Å; A1061-L1085 HydrophobicContact CB-CD2 4.29Å; A1061-L1093 HydrophobicContact CB-CD1 3.95Å |
| 1062 | C | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 173 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | A1028 N1032 C1058 T1059 L1064 I1065 M1066 | A1028-C1062 HydrophobicContact CB-CB 4.32Å; N1032-C1062 HydrophobicContact CB-CB 4.13Å; C1058-C1062 PolarHBondContact O-N 2.95Å; C1058-C1062 PolarHBondContact O-SG 3.02Å; T1059-C1062 WeakPolarHBondContact O-CB 3.33Å; T1059-C1062 PolarHBondContact O-N 3.05Å; C1062-L1064 PolarHBondContact O-N 3.27Å; C1062-I1065 PolarHBondContact O-N 3.26Å; C1062-M1066 HydrophobicContact CB-CE 4.16Å; C1062-M1066 VanDerWaalsContact O-CB 3.32Å; C1062-M1066 WeakPolarHBondContact O-CB 3.45Å; C1062-M1066 WeakPolarHBondContact O-CE 3.34Å; C1062-M1066 VanDerWaalsContact O-CG 3.24Å; C1062-M1066 WeakPolarHBondContact O-CG 3.29Å; C1062-M1066 PolarHBondContact O-N 2.83Å |
| 1063 | Q | 92.1 | Very high | 89.6 | Confident | 74 Ų | 74 | 35.9 Ų | 35.9 | 35% | 0.346 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.3 | -39.1 | 176.4 | -70.9 | 167.6 | -3.9 | 0 | 0 | 112.7 | T1059 Q1060 A1061 A1067 L1082 | T1059-Q1063 WeakPolarHBondContact O-CG 3.15Å; T1059-Q1063 PolarHBondContact O-N 3.47Å; Q1060-Q1063 WeakPolarHBondContact O-CB 3.35Å; Q1060-Q1063 PolarHBondContact O-N 2.66Å; A1061-Q1063 VanDerWaalsContact C-N 3.32Å; A1061-Q1063 PolarHBondContact O-N 2.64Å; Q1063-A1067 WeakPolarHBondContact O-CB 3.49Å; Q1063-A1067 PolarHBondContact O-N 3.13Å; Q1063-L1082 HydrophobicContact CB-CD2 4.34Å |
| 1064 | L | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -50.9 | 174.1 | -178.5 | 63.7 | 0 | 0 | 0 | 111.8 | Q1060 A1061 C1062 M1066 A1067 F1075 C1079 L1082 L1085 L1090 L1093 L1094 | Q1060-L1064 PolarHBondContact O-N 3.21Å; A1061-L1064 WeakPolarHBondContact O-CB 3.37Å; A1061-L1064 PolarHBondContact O-N 3.26Å; C1062-L1064 PolarHBondContact O-N 3.27Å; L1064-M1066 VanDerWaalsContact C-N 3.28Å; L1064-M1066 PolarHBondContact O-N 3.29Å; L1064-A1067 VanDerWaalsContact O-CB 3.22Å; L1064-A1067 WeakPolarHBondContact O-CB 3.26Å; L1064-A1067 PolarHBondContact O-N 3.32Å; L1064-A1067 VanDerWaalsContact O-N 3.15Å; L1064-F1075 HydrophobicContact CD1-CE2 4.4Å; L1064-C1079 HydrophobicContact CD1-CB 4.48Å; L1064-C1079 WeakPolarHBondContact CD1-SG 3.16Å; L1064-L1082 HydrophobicContact CB-CD1 3.62Å; L1064-L1082 HydrophobicContact CD1-CD1 3.98Å; L1064-L1082 HydrophobicContact CG-CD1 4.3Å; L1064-L1085 HydrophobicContact CD2-CD1 4.29Å; L1064-L1090 HydrophobicContact CD1-CD1 4.28Å; L1064-L1090 HydrophobicContact CD2-CD1 3.84Å; L1064-L1093 HydrophobicContact CD2-CB 3.68Å; L1064-L1093 HydrophobicContact CD2-CD1 3.97Å; L1064-L1093 HydrophobicContact CD2-CG 4.47Å; L1064-L1094 HydrophobicContact CD1-CD2 4.05Å |
| 1065 | I | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | -177.5 | -63 | 157.1 | 0 | 0 | 0 | 110.3 | L1005 L1023 T1024 A1028 A1061 C1062 R1069 L1097 | L1005-I1065 HydrophobicContact CD2-CD1 4Å; L1023-I1065 HydrophobicContact CD2-CD1 4.04Å; L1023-I1065 WeakPolarHBondContact O-CG2 3.28Å; T1024-I1065 WeakPolarHBondContact O-CG2 3.3Å; A1028-I1065 HydrophobicContact CB-CB 3.79Å; A1028-I1065 HydrophobicContact CB-CD1 4.29Å; A1028-I1065 HydrophobicContact CB-CG2 3.63Å; A1061-I1065 VanDerWaalsContact O-CD1 3.31Å; A1061-I1065 WeakPolarHBondContact O-CD1 3.5Å; A1061-I1065 VanDerWaalsContact O-CG1 3.26Å; A1061-I1065 WeakPolarHBondContact O-CG1 3.35Å; A1061-I1065 PolarHBondContact O-N 3.3Å; C1062-I1065 PolarHBondContact O-N 3.26Å; I1065-R1069 PolarHBondContact O-NH2 3.29Å; I1065-L1097 HydrophobicContact CB-CD2 4.28Å; I1065-L1097 HydrophobicContact CG1-CD2 3.68Å; I1065-L1097 HydrophobicContact CG2-CD2 4.4Å |
| 1066 | M | 89.9 | Confident | 89.8 | Confident | 62 Ų | 62 | 36.4 Ų | 36.4 | 31% | 0.305 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -77.6 | -11.5 | 177 | -66.7 | -172.2 | -61 | 0 | 0 | 115 | R1025 A1028 N1032 C1062 L1064 | R1025-M1066 PolarHBondContact NH1-O 3.24Å; A1028-M1066 HydrophobicContact CB-CG 3.83Å; N1032-M1066 HydrophobicContact CB-CE 4.45Å; C1062-M1066 HydrophobicContact CB-CE 4.16Å; C1062-M1066 VanDerWaalsContact O-CB 3.32Å; C1062-M1066 WeakPolarHBondContact O-CB 3.45Å; C1062-M1066 WeakPolarHBondContact O-CE 3.34Å; C1062-M1066 VanDerWaalsContact O-CG 3.24Å; C1062-M1066 WeakPolarHBondContact O-CG 3.29Å; C1062-M1066 PolarHBondContact O-N 2.83Å; L1064-M1066 VanDerWaalsContact C-N 3.28Å; L1064-M1066 PolarHBondContact O-N 3.29Å |
| 1067 | A | 89.5 | Confident | 89.7 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -59.1 | 158.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | R1025 Q1063 L1064 R1069 F1075 Q1078 | R1025-A1067 VanDerWaalsContact CZ-O 3.29Å; R1025-A1067 PolarHBondContact NH1-O 2.9Å; R1025-A1067 PolarHBondContact NH2-O 2.94Å; Q1063-A1067 WeakPolarHBondContact O-CB 3.49Å; Q1063-A1067 PolarHBondContact O-N 3.13Å; L1064-A1067 VanDerWaalsContact O-CB 3.22Å; L1064-A1067 WeakPolarHBondContact O-CB 3.26Å; L1064-A1067 PolarHBondContact O-N 3.32Å; L1064-A1067 VanDerWaalsContact O-N 3.15Å; A1067-R1069 PolarHBondContact O-N 3.25Å; A1067-F1075 HydrophobicContact CB-CD2 3.93Å; A1067-F1075 HydrophobicContact CB-CE2 3.8Å; A1067-Q1078 HydrophobicContact CB-CG 4.42Å |
| 1068 | N | 85.6 | Confident | 89.7 | Confident | 74 Ų | 74 | 39.1 Ų | 39.1 | 40% | 0.396 | 20% | 0.199 | S | C | . | . | trans | -80.4 | 119.1 | 174.4 | 179.9 | 21 | 0 | 0 | 0 | 110.2 | T1070 | N1068-T1070 VanDerWaalsContact CG-OG1 3.25Å; N1068-T1070 PolarHBondContact ND2-OG1 3.37Å; N1068-T1070 PolarHBondContact OD1-N 3.04Å; N1068-T1070 PolarHBondContact OD1-OG1 3.03Å | ||
| 1069 | R | 87.4 | Confident | 89.6 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | trans | -102.3 | 15.1 | -176 | -51.4 | -179.1 | -149.7 | 152.3 | 1 | 113.4 | I1065 A1067 F1075 D1099 P1101 | I1065-R1069 PolarHBondContact O-NH2 3.29Å; A1067-R1069 PolarHBondContact O-N 3.25Å; R1069-F1075 HydrophobicContact CG-CD2 4.23Å; R1069-F1075 HydrophobicContact CG-CE2 3.85Å; R1069-F1075 HydrophobicContact CG-CZ 4.05Å; R1069-D1099 PolarHBondContact NH1-O 3.34Å; R1069-P1101 HydrophobicContact CB-CG 4.11Å; R1069-P1101 PolarHBondContact NH1-O 2.89Å | ||
| 1070 | T | 83.7 | Confident | 89.4 | Confident | 103 Ų | 103 | 39 Ų | 39 | 63% | 0.632 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -91.3 | -6.1 | -176.4 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | N1068 | N1068-T1070 VanDerWaalsContact CG-OG1 3.25Å; N1068-T1070 PolarHBondContact ND2-OG1 3.37Å; N1068-T1070 PolarHBondContact OD1-N 3.04Å; N1068-T1070 PolarHBondContact OD1-OG1 3.03Å |
| 1071 | N | 87.6 | Confident | 89.2 | Confident | 55 Ų | 55 | 41.5 Ų | 41.5 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | trans | -142.8 | 120.6 | -178.8 | -179.4 | 8 | 0 | 0 | 0 | 108.8 | D1073 E1074 F1075 | N1071-D1073 PolarHBondContact OD1-N 3.33Å; N1071-E1074 HydrophobicContact CB-CB 4.3Å; N1071-E1074 WeakPolarHBondContact CB-OE2 3.32Å; N1071-E1074 VanDerWaalsContact ND2-CG 3.35Å; N1071-E1074 WeakPolarHBondContact ND2-CG 3.4Å; N1071-E1074 PolarHBondContact ND2-OE2 3.14Å; N1071-F1075 VanDerWaalsContact O-CB 3.22Å; N1071-F1075 WeakPolarHBondContact O-CB 3.37Å; N1071-F1075 PolarHBondContact O-N 3.12Å; N1071-F1075 VanDerWaalsContact O-N 3.1Å | ||
| 1072 | L | 86.4 | Confident | 89.1 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | -177.4 | 174.1 | 56 | 0 | 0 | 0 | 111 | E1074 F1075 Y1076 W1107 L1110 | L1072-E1074 PolarHBondContact O-N 2.79Å; L1072-F1075 PolarHBondContact O-N 3.5Å; L1072-Y1076 WeakPolarHBondContact O-CB 3.47Å; L1072-Y1076 PolarHBondContact O-N 2.95Å; L1072-W1107 HydrophobicContact CB-CD2 4.27Å; L1072-W1107 HydrophobicContact CB-CE3 4.35Å; L1072-W1107 HydrophobicContact CB-CH2 4Å; L1072-W1107 HydrophobicContact CB-CZ2 3.89Å; L1072-W1107 HydrophobicContact CB-CZ3 4.23Å; L1072-W1107 HydrophobicContact CD1-CB 4.14Å; L1072-W1107 HydrophobicContact CD1-CD2 3.71Å; L1072-W1107 HydrophobicContact CD1-CE3 3.95Å; L1072-W1107 HydrophobicContact CD1-CG 3.8Å; L1072-W1107 HydrophobicContact CG-CD2 4.37Å; L1072-L1110 HydrophobicContact CD2-CD2 4.17Å |
| 1073 | D | 86.2 | Confident | 88.8 | Confident | 108 Ų | 108 | 44.8 Ų | 44.8 | 58% | 0.578 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.4 | -47 | -172.6 | -57.3 | -37.7 | 0 | 0 | 0 | 111.8 | N1071 F1075 Y1076 Q1077 | N1071-D1073 PolarHBondContact OD1-N 3.33Å; D1073-F1075 VanDerWaalsContact C-N 3.34Å; D1073-F1075 PolarHBondContact O-N 2.8Å; D1073-Y1076 PolarHBondContact O-N 2.73Å; D1073-Q1077 VanDerWaalsContact O-CG 3.27Å; D1073-Q1077 WeakPolarHBondContact O-CG 3.36Å; D1073-Q1077 PolarHBondContact O-N 3.05Å; D1073-Q1077 VanDerWaalsContact O-N 3.09Å |
| 1074 | E | 86.7 | Confident | 88.6 | Confident | 90 Ų | 90 | 42.1 Ų | 42.1 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 176 | -75.1 | 173.1 | 146.7 | 0 | 0 | 111.7 | N1071 L1072 Q1078 | N1071-E1074 HydrophobicContact CB-CB 4.3Å; N1071-E1074 WeakPolarHBondContact CB-OE2 3.32Å; N1071-E1074 VanDerWaalsContact ND2-CG 3.35Å; N1071-E1074 WeakPolarHBondContact ND2-CG 3.4Å; N1071-E1074 PolarHBondContact ND2-OE2 3.14Å; L1072-E1074 PolarHBondContact O-N 2.79Å; E1074-Q1078 WeakPolarHBondContact O-CB 3.37Å; E1074-Q1078 PolarHBondContact O-N 2.97Å |
| 1075 | F | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.4 | -39.6 | 178.2 | -173.2 | -124.4 | 0 | 0 | 0 | 112.1 | L1064 A1067 R1069 N1071 L1072 D1073 Q1078 C1079 L1094 V1103 W1107 I1111 | L1064-F1075 HydrophobicContact CD1-CE2 4.4Å; A1067-F1075 HydrophobicContact CB-CD2 3.93Å; A1067-F1075 HydrophobicContact CB-CE2 3.8Å; R1069-F1075 HydrophobicContact CG-CD2 4.23Å; R1069-F1075 HydrophobicContact CG-CE2 3.85Å; R1069-F1075 HydrophobicContact CG-CZ 4.05Å; N1071-F1075 VanDerWaalsContact O-CB 3.22Å; N1071-F1075 WeakPolarHBondContact O-CB 3.37Å; N1071-F1075 PolarHBondContact O-N 3.12Å; N1071-F1075 VanDerWaalsContact O-N 3.1Å; L1072-F1075 PolarHBondContact O-N 3.5Å; D1073-F1075 VanDerWaalsContact C-N 3.34Å; D1073-F1075 PolarHBondContact O-N 2.8Å; F1075-Q1078 PolarHBondContact O-N 2.93Å; F1075-C1079 WeakPolarHBondContact O-CB 3.33Å; F1075-C1079 PolarHBondContact O-N 3.47Å; F1075-C1079 PolarHBondContact O-SG 2.83Å; F1075-L1094 HydrophobicContact CE1-CD2 3.83Å; F1075-L1094 HydrophobicContact CZ-CD2 3.49Å; F1075-L1094 VanDerWaalsContact CZ-CD2 3.49Å; F1075-V1103 HydrophobicContact CE1-CG1 4.04Å; F1075-V1103 HydrophobicContact CE1-CG2 4Å; F1075-V1103 HydrophobicContact CZ-CG2 4.06Å; F1075-W1107 HydrophobicContact CD1-CE3 4.37Å; F1075-I1111 HydrophobicContact CD1-CD1 3.72Å; F1075-I1111 HydrophobicContact CE1-CD1 3.64Å |
| 1076 | Y | 91.7 | Very high | 88.3 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 177 | -168.6 | -102.3 | 0 | 0 | 0 | 111.4 | L1072 D1073 Q1078 C1079 I1080 L1110 I1111 F2279 | L1072-Y1076 WeakPolarHBondContact O-CB 3.47Å; L1072-Y1076 PolarHBondContact O-N 2.95Å; D1073-Y1076 PolarHBondContact O-N 2.73Å; Y1076-Q1078 VanDerWaalsContact C-N 3.34Å; Y1076-Q1078 PolarHBondContact O-N 2.83Å; Y1076-C1079 PolarHBondContact O-N 2.84Å; Y1076-I1080 HydrophobicContact CD1-CD1 3.86Å; Y1076-I1080 HydrophobicContact CD2-CD1 4.33Å; Y1076-I1080 HydrophobicContact CE1-CD1 3.38Å; Y1076-I1080 HydrophobicContact CE2-CD1 3.88Å; Y1076-I1080 HydrophobicContact CG-CD1 4.31Å; Y1076-I1080 PolarHBondContact O-N 3.29Å; Y1076-L1110 HydrophobicContact CD2-CD2 4.32Å; Y1076-L1110 HydrophobicContact CD2-CG 4.34Å; Y1076-L1110 HydrophobicContact CE2-CB 4.4Å; Y1076-L1110 HydrophobicContact CE2-CD2 4.13Å; Y1076-L1110 HydrophobicContact CE2-CG 3.71Å; Y1076-L1110 WeakPolarHBondContact CE2-O 3.27Å; Y1076-L1110 PolarHBondContact OH-O 3.47Å; Y1076-I1111 HydrophobicContact CD2-CB 4.38Å; Y1076-I1111 HydrophobicContact CD2-CG1 3.56Å; Y1076-I1111 HydrophobicContact CE2-CB 4.46Å; Y1076-I1111 HydrophobicContact CE2-CG1 4.08Å; Y1076-F2279 AromaticContact CD1-CE1 3.66Å; Y1076-F2279 HydrophobicContact CD1-CE1 3.66Å; Y1076-F2279 AromaticContact CD1-CZ 3.63Å; Y1076-F2279 HydrophobicContact CD1-CZ 3.63Å; Y1076-F2279 AromaticContact CE1-CE1 3.5Å; Y1076-F2279 HydrophobicContact CE1-CE1 3.5Å; Y1076-F2279 VanDerWaalsContact CE1-CE1 3.5Å; Y1076-F2279 AromaticContact CE1-CZ 3.48Å; Y1076-F2279 HydrophobicContact CE1-CZ 3.48Å; Y1076-F2279 VanDerWaalsContact CE1-CZ 3.48Å |
| 1077 | Q | 88.5 | Confident | 88.3 | Confident | 83 Ų | 83 | 39.3 Ų | 39.3 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 173.2 | -66.8 | -62.3 | -20.5 | 0 | 0 | 111.5 | D1073 S1081 F2279 | D1073-Q1077 VanDerWaalsContact O-CG 3.27Å; D1073-Q1077 WeakPolarHBondContact O-CG 3.36Å; D1073-Q1077 PolarHBondContact O-N 3.05Å; D1073-Q1077 VanDerWaalsContact O-N 3.09Å; Q1077-S1081 PolarHBondContact O-N 3.42Å; Q1077-S1081 VanDerWaalsContact O-N 3.12Å; Q1077-F2279 VanDerWaalsContact NE2-CD2 3.28Å; Q1077-F2279 VanDerWaalsContact NE2-CZ 3.29Å |
| 1078 | Q | 90.1 | Very high | 88.2 | Confident | 70 Ų | 70 | 42.1 Ų | 42.1 | 33% | 0.327 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 180 | -170.2 | 170.6 | -0.2 | 0 | 0 | 111.2 | A1067 E1074 F1075 Y1076 S1081 L1082 | A1067-Q1078 HydrophobicContact CB-CG 4.42Å; E1074-Q1078 WeakPolarHBondContact O-CB 3.37Å; E1074-Q1078 PolarHBondContact O-N 2.97Å; F1075-Q1078 PolarHBondContact O-N 2.93Å; Y1076-Q1078 VanDerWaalsContact C-N 3.34Å; Y1076-Q1078 PolarHBondContact O-N 2.83Å; Q1078-S1081 WeakPolarHBondContact O-CB 3.41Å; Q1078-S1081 PolarHBondContact O-N 3.1Å; Q1078-S1081 PolarHBondContact O-OG 3Å; Q1078-L1082 WeakPolarHBondContact O-CG 3.27Å |
| 1079 | C | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 178.8 | -69.3 | 0 | 0 | 0 | 0 | 113.1 | L1064 F1075 Y1076 S1081 L1082 L1090 I1111 | L1064-C1079 HydrophobicContact CD1-CB 4.48Å; L1064-C1079 WeakPolarHBondContact CD1-SG 3.16Å; F1075-C1079 WeakPolarHBondContact O-CB 3.33Å; F1075-C1079 PolarHBondContact O-N 3.47Å; F1075-C1079 PolarHBondContact O-SG 2.83Å; Y1076-C1079 PolarHBondContact O-N 2.84Å; C1079-S1081 PolarHBondContact O-N 2.96Å; C1079-L1082 WeakPolarHBondContact O-CB 3.19Å; C1079-L1082 PolarHBondContact O-N 2.93Å; C1079-L1082 VanDerWaalsContact O-N 3.09Å; C1079-L1090 HydrophobicContact CB-CD2 4.48Å; C1079-I1111 HydrophobicContact CB-CG2 3.61Å |
| 1080 | I | 88.9 | Confident | 88.6 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.1 | -12.6 | -179.3 | -67.8 | 174.1 | 0 | 0 | 0 | 112.1 | Y1076 L1082 V1118 N1119 R2275 F2279 | Y1076-I1080 HydrophobicContact CD1-CD1 3.86Å; Y1076-I1080 HydrophobicContact CD2-CD1 4.33Å; Y1076-I1080 HydrophobicContact CE1-CD1 3.38Å; Y1076-I1080 HydrophobicContact CE2-CD1 3.88Å; Y1076-I1080 HydrophobicContact CG-CD1 4.31Å; Y1076-I1080 PolarHBondContact O-N 3.29Å; I1080-L1082 VanDerWaalsContact C-N 3.3Å; I1080-V1118 HydrophobicContact CG2-CB 4.1Å; I1080-V1118 HydrophobicContact CG2-CG1 3.71Å; I1080-V1118 HydrophobicContact CG2-CG2 4.34Å; I1080-N1119 PolarHBondContact O-OD1 3.03Å; I1080-R2275 PolarHBondContact O-NH1 3.06Å; I1080-F2279 HydrophobicContact CD1-CZ 4.4Å |
| 1081 | S | 88.6 | Confident | 89 | Confident | 63 Ų | 63 | 37.3 Ų | 37.3 | 44% | 0.441 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -17 | 168.7 | 80.6 | 0 | 0 | 0 | 0 | 113.9 | Q1077 Q1078 C1079 I1083 | Q1077-S1081 PolarHBondContact O-N 3.42Å; Q1077-S1081 VanDerWaalsContact O-N 3.12Å; Q1078-S1081 WeakPolarHBondContact O-CB 3.41Å; Q1078-S1081 PolarHBondContact O-N 3.1Å; Q1078-S1081 PolarHBondContact O-OG 3Å; C1079-S1081 PolarHBondContact O-N 2.96Å; S1081-I1083 VanDerWaalsContact C-N 3.26Å; S1081-I1083 PolarHBondContact O-N 3.38Å |
| 1082 | L | 90.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | -84.1 | 59.8 | -171.8 | -53.6 | -179.6 | 0 | 0 | 0 | 113 | Q1060 Q1063 L1064 Q1078 C1079 I1080 S1084 L1085 N1119 | Q1060-L1082 HydrophobicContact CB-CB 4.27Å; Q1060-L1082 HydrophobicContact CB-CD2 4.02Å; Q1060-L1082 HydrophobicContact CG-CD2 4.02Å; Q1060-L1082 VanDerWaalsContact OE1-CA 3.29Å; Q1060-L1082 PolarHBondContact OE1-O 3.37Å; Q1063-L1082 HydrophobicContact CB-CD2 4.34Å; L1064-L1082 HydrophobicContact CB-CD1 3.62Å; L1064-L1082 HydrophobicContact CD1-CD1 3.98Å; L1064-L1082 HydrophobicContact CG-CD1 4.3Å; Q1078-L1082 WeakPolarHBondContact O-CG 3.27Å; C1079-L1082 WeakPolarHBondContact O-CB 3.19Å; C1079-L1082 PolarHBondContact O-N 2.93Å; C1079-L1082 VanDerWaalsContact O-N 3.09Å; I1080-L1082 VanDerWaalsContact C-N 3.3Å; L1082-S1084 PolarHBondContact O-N 2.79Å; L1082-L1085 HydrophobicContact CB-CD1 4.11Å; L1082-L1085 HydrophobicContact CD1-CD1 4.06Å; L1082-L1085 PolarHBondContact O-N 2.84Å; L1082-N1119 PolarHBondContact O-ND2 2.93Å; L1082-N1119 VanDerWaalsContact O-ND2 3.09Å | ||
| 1083 | I | 87.1 | Confident | 89.2 | Confident | 68 Ų | 68 | 34.6 Ų | 34.6 | 35% | 0.349 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.5 | -172.7 | 57 | 172.7 | 0 | 0 | 0 | 117.2 | S1081 A1122 R2275 | S1081-I1083 VanDerWaalsContact C-N 3.26Å; S1081-I1083 PolarHBondContact O-N 3.38Å; I1083-A1122 HydrophobicContact CB-CB 4.39Å; I1083-R2275 VanDerWaalsContact CG2-CZ 3.41Å; I1083-R2275 VanDerWaalsContact CG2-NH2 3.31Å |
| 1084 | S | 86.7 | Confident | 89.4 | Confident | 18 Ų | 18 | 29.6 Ų | 29.6 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6.3 | -179.4 | 68.3 | 0 | 0 | 0 | 0 | 113.7 | R1057 Q1060 L1082 | R1057-S1084 VanDerWaalsContact CA-OG 3.31Å; R1057-S1084 WeakPolarHBondContact CA-OG 3.48Å; R1057-S1084 WeakPolarHBondContact CD-O 3.26Å; R1057-S1084 WeakPolarHBondContact CG-O 3.11Å; R1057-S1084 PolarHBondContact N-OG 3.14Å; R1057-S1084 PolarHBondContact NE-O 3.19Å; Q1060-S1084 PolarHBondContact OE1-OG 3.5Å; L1082-S1084 PolarHBondContact O-N 2.79Å |
| 1085 | L | 89.3 | Confident | 89.3 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -97.2 | 122.4 | 169.5 | -65.2 | 168.7 | 0 | 0 | 0 | 109.1 | F1001 R1057 Q1060 A1061 L1064 L1082 Q1089 L1090 L1093 N1119 | F1001-L1085 HydrophobicContact CE2-CD2 3.68Å; F1001-L1085 HydrophobicContact CZ-CD2 3.82Å; R1057-L1085 HydrophobicContact CG-CD2 3.52Å; R1057-L1085 HydrophobicContact CG-CG 4.3Å; Q1060-L1085 HydrophobicContact CB-CD1 4.4Å; A1061-L1085 HydrophobicContact CB-CD2 4.29Å; L1064-L1085 HydrophobicContact CD2-CD1 4.29Å; L1082-L1085 HydrophobicContact CB-CD1 4.11Å; L1082-L1085 HydrophobicContact CD1-CD1 4.06Å; L1082-L1085 PolarHBondContact O-N 2.84Å; L1085-Q1089 HydrophobicContact CD2-CB 4.3Å; L1085-L1090 HydrophobicContact CB-CD1 4.36Å; L1085-L1090 HydrophobicContact CD1-CD1 4.02Å; L1085-L1093 HydrophobicContact CD1-CD1 4.21Å; L1085-L1093 HydrophobicContact CD2-CD1 3.97Å; L1085-N1119 WeakPolarHBondContact O-CB 3.13Å; L1085-N1119 PolarHBondContact O-ND2 3.15Å |
| 1086 | N | 88.4 | Confident | 89 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -70.8 | 166.8 | 170.4 | 73 | 33.3 | 0 | 0 | 0 | 111 | I1088 Q1089 L1090 D1120 L1144 Q1145 | N1086-I1088 VanDerWaalsContact C-N 3.3Å; N1086-I1088 PolarHBondContact O-N 2.67Å; N1086-I1088 PolarHBondContact OD1-N 3.46Å; N1086-Q1089 VanDerWaalsContact CG-CD 3.45Å; N1086-Q1089 VanDerWaalsContact N-OE1 3.07Å; N1086-Q1089 PolarHBondContact ND2-NE2 2.81Å; N1086-Q1089 PolarHBondContact O-N 3.42Å; N1086-Q1089 WeakPolarHBondContact OD1-CB 3.5Å; N1086-Q1089 VanDerWaalsContact OD1-CG 3.23Å; N1086-Q1089 WeakPolarHBondContact OD1-CG 3.45Å; N1086-Q1089 PolarHBondContact OD1-N 2.75Å; N1086-L1090 WeakPolarHBondContact O-CB 2.94Å; N1086-L1090 PolarHBondContact O-N 3.39Å; N1086-D1120 WeakPolarHBondContact CA-OD1 3.45Å; N1086-D1120 WeakPolarHBondContact CB-OD1 3.28Å; N1086-L1144 HydrophobicContact CB-CD2 4.27Å; N1086-Q1145 PolarHBondContact ND2-O 3.27Å | ||
| 1087 | S | 89.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -35.2 | -173.5 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | L1090 E1091 K1116 D1120 | S1087-L1090 PolarHBondContact O-N 3.3Å; S1087-E1091 WeakPolarHBondContact O-CB 3.35Å; S1087-E1091 PolarHBondContact O-N 2.69Å; S1087-K1116 VanDerWaalsContact CB-CG 3.42Å; S1087-K1116 VanDerWaalsContact OG-CE 3.31Å; S1087-K1116 WeakPolarHBondContact OG-CE 3.45Å; S1087-K1116 VanDerWaalsContact OG-CG 3.26Å; S1087-K1116 WeakPolarHBondContact OG-CG 3.43Å; S1087-D1120 WeakPolarHBondContact CB-OD2 3.43Å; S1087-D1120 PolarHBondContact N-OD1 3.43Å; S1087-D1120 PolarHBondContact OG-OD1 3.06Å; S1087-D1120 PolarHBondContact OG-OD2 3.3Å |
| 1088 | I | 87.3 | Confident | 88 | Confident | 62 Ų | 62 | 27 Ų | 27 | 32% | 0.318 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -70.3 | -40.1 | 178.9 | -65.3 | 176.8 | 0 | 0 | 0 | 110.9 | N1086 L1090 W1092 L1144 L1146 | N1086-I1088 VanDerWaalsContact C-N 3.3Å; N1086-I1088 PolarHBondContact O-N 2.67Å; N1086-I1088 PolarHBondContact OD1-N 3.46Å; I1088-L1090 VanDerWaalsContact C-N 3.34Å; I1088-W1092 VanDerWaalsContact O-CB 3.26Å; I1088-W1092 WeakPolarHBondContact O-CB 3.43Å; I1088-W1092 PolarHBondContact O-N 2.65Å; I1088-L1144 HydrophobicContact CD1-CB 3.76Å; I1088-L1144 WeakPolarHBondContact CD1-O 3.36Å; I1088-L1146 HydrophobicContact CG2-CB 4.15Å; I1088-L1146 HydrophobicContact CG2-CD1 4.23Å |
| 1089 | Q | 91.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 171.7 | -72.3 | 160.8 | 0.1 | 0 | 0 | 111.7 | F1001 L1085 N1086 L1093 Q1145 L1146 | F1001-Q1089 HydrophobicContact CE1-CG 3.8Å; F1001-Q1089 HydrophobicContact CZ-CB 4.07Å; F1001-Q1089 HydrophobicContact CZ-CG 3.73Å; L1085-Q1089 HydrophobicContact CD2-CB 4.3Å; N1086-Q1089 VanDerWaalsContact CG-CD 3.45Å; N1086-Q1089 VanDerWaalsContact N-OE1 3.07Å; N1086-Q1089 PolarHBondContact ND2-NE2 2.81Å; N1086-Q1089 PolarHBondContact O-N 3.42Å; N1086-Q1089 WeakPolarHBondContact OD1-CB 3.5Å; N1086-Q1089 VanDerWaalsContact OD1-CG 3.23Å; N1086-Q1089 WeakPolarHBondContact OD1-CG 3.45Å; N1086-Q1089 PolarHBondContact OD1-N 2.75Å; Q1089-L1093 VanDerWaalsContact O-CB 3.25Å; Q1089-L1093 WeakPolarHBondContact O-CB 3.19Å; Q1089-L1093 WeakPolarHBondContact O-CD1 3.41Å; Q1089-L1093 WeakPolarHBondContact O-CG 2.95Å; Q1089-L1093 PolarHBondContact O-N 2.64Å; Q1089-Q1145 PolarHBondContact NE2-O 2.86Å; Q1089-L1146 HydrophobicContact CG-CD1 4.35Å; Q1089-L1146 WeakPolarHBondContact CG-O 3.48Å; Q1089-L1146 PolarHBondContact NE2-O 2.94Å |
| 1090 | L | 91.6 | Very high | 86 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.5 | -47 | 177.2 | -160.6 | 78.8 | 0 | 0 | 0 | 111.4 | L1064 C1079 L1085 N1086 S1087 I1088 L1093 L1094 I1111 A1115 | L1064-L1090 HydrophobicContact CD1-CD1 4.28Å; L1064-L1090 HydrophobicContact CD2-CD1 3.84Å; C1079-L1090 HydrophobicContact CB-CD2 4.48Å; L1085-L1090 HydrophobicContact CB-CD1 4.36Å; L1085-L1090 HydrophobicContact CD1-CD1 4.02Å; N1086-L1090 WeakPolarHBondContact O-CB 2.94Å; N1086-L1090 PolarHBondContact O-N 3.39Å; S1087-L1090 PolarHBondContact O-N 3.3Å; I1088-L1090 VanDerWaalsContact C-N 3.34Å; L1090-L1093 PolarHBondContact O-N 3.24Å; L1090-L1094 HydrophobicContact CG-CD1 4.11Å; L1090-L1094 VanDerWaalsContact O-CB 3.29Å; L1090-L1094 WeakPolarHBondContact O-CB 3.21Å; L1090-L1094 WeakPolarHBondContact O-CD1 3.41Å; L1090-L1094 WeakPolarHBondContact O-CG 3.34Å; L1090-L1094 PolarHBondContact O-N 2.99Å; L1090-I1111 HydrophobicContact CD2-CG2 3.63Å; L1090-I1111 HydrophobicContact CG-CG2 4.49Å; L1090-A1115 HydrophobicContact CD2-CB 3.51Å |
| 1091 | E | 90.8 | Very high | 85.3 | Confident | 80 Ų | 80 | 32.5 Ų | 32.5 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.7 | -52.4 | 175.4 | -173.3 | 173.8 | 152.5 | 0 | 0 | 110.8 | S1087 L1094 A1095 I1108 V1112 K1116 | S1087-E1091 WeakPolarHBondContact O-CB 3.35Å; S1087-E1091 PolarHBondContact O-N 2.69Å; E1091-L1094 PolarHBondContact O-N 3.26Å; E1091-A1095 WeakPolarHBondContact O-CB 3.26Å; E1091-A1095 PolarHBondContact O-N 3.36Å; E1091-A1095 VanDerWaalsContact O-N 3.07Å; E1091-I1108 HydrophobicContact CG-CG2 4.47Å; E1091-V1112 HydrophobicContact CB-CG1 4.18Å; E1091-V1112 HydrophobicContact CB-CG2 3.55Å; E1091-V1112 HydrophobicContact CG-CG1 4.26Å; E1091-V1112 HydrophobicContact CG-CG2 3.9Å; E1091-V1112 WeakPolarHBondContact OE2-CG1 3.25Å; E1091-K1116 IonicContact OE2-NZ 3.75Å; E1091-K1116 PolarHBondContact OE2-NZ 3.15Å |
| 1092 | W | 89.2 | Confident | 84.6 | Confident | 40 Ų | 40 | 34 Ų | 34 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 178.3 | -169.3 | 104 | 0 | 0 | 0 | 112 | L1005 I1006 L1023 I1088 L1094 A1095 H1096 L1146 | L1005-W1092 WeakPolarHBondContact O-CH2 3.4Å; L1005-W1092 WeakPolarHBondContact O-CZ3 3.48Å; I1006-W1092 WeakPolarHBondContact O-CZ2 3.23Å; L1023-W1092 HydrophobicContact CD1-CH2 3.97Å; L1023-W1092 HydrophobicContact CD1-CZ3 3.83Å; L1023-W1092 HydrophobicContact CD2-CZ3 4.41Å; I1088-W1092 VanDerWaalsContact O-CB 3.26Å; I1088-W1092 WeakPolarHBondContact O-CB 3.43Å; I1088-W1092 PolarHBondContact O-N 2.65Å; W1092-L1094 PolarHBondContact O-N 3.38Å; W1092-A1095 PolarHBondContact O-N 2.92Å; W1092-H1096 AromaticContact CD1-CE1 3.81Å; W1092-H1096 AromaticContact CD2-CE1 3.84Å; W1092-H1096 AromaticContact CD2-ND1 3.4Å; W1092-H1096 AromaticContact CE2-CE1 3.47Å; W1092-H1096 VanDerWaalsContact CE2-CE1 3.47Å; W1092-H1096 AromaticContact CE2-ND1 3.4Å; W1092-H1096 HydrophobicContact CE3-CB 4.36Å; W1092-H1096 AromaticContact CE3-ND1 3.72Å; W1092-H1096 AromaticContact CG-ND1 3.85Å; W1092-H1096 HydrophobicContact CH2-CB 3.98Å; W1092-H1096 AromaticContact CH2-CG 3.87Å; W1092-H1096 AromaticContact CH2-ND1 3.95Å; W1092-H1096 AromaticContact CZ2-CE1 3.88Å; W1092-H1096 AromaticContact CZ2-CG 3.93Å; W1092-H1096 AromaticContact CZ2-ND1 3.71Å; W1092-H1096 HydrophobicContact CZ3-CB 3.87Å; W1092-H1096 AromaticContact CZ3-ND1 3.93Å; W1092-H1096 AromaticContact NE1-CE1 3.48Å; W1092-H1096 PolarHBondContact NE1-CE1 2.96Å; W1092-H1096 AromaticContact NE1-ND1 3.85Å; W1092-H1096 PolarHBondContact O-N 2.86Å; W1092-H1096 PolarHBondContact O-ND1 3.03Å; W1092-L1146 HydrophobicContact CB-CD1 3.54Å; W1092-L1146 HydrophobicContact CD2-CD1 4.38Å; W1092-L1146 HydrophobicContact CG-CD1 3.66Å; W1092-L1146 HydrophobicContact CG-CD2 4.1Å |
| 1093 | L | 89.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | -179.5 | -77.7 | 169.1 | 0 | 0 | 0 | 111.1 | L1005 L1023 A1061 L1064 L1085 Q1089 L1090 A1095 H1096 L1097 | L1005-L1093 HydrophobicContact CB-CD2 4.33Å; L1023-L1093 HydrophobicContact CD2-CD2 3.82Å; A1061-L1093 HydrophobicContact CB-CD1 3.95Å; L1064-L1093 HydrophobicContact CD2-CB 3.68Å; L1064-L1093 HydrophobicContact CD2-CD1 3.97Å; L1064-L1093 HydrophobicContact CD2-CG 4.47Å; L1085-L1093 HydrophobicContact CD1-CD1 4.21Å; L1085-L1093 HydrophobicContact CD2-CD1 3.97Å; Q1089-L1093 VanDerWaalsContact O-CB 3.25Å; Q1089-L1093 WeakPolarHBondContact O-CB 3.19Å; Q1089-L1093 WeakPolarHBondContact O-CD1 3.41Å; Q1089-L1093 WeakPolarHBondContact O-CG 2.95Å; Q1089-L1093 PolarHBondContact O-N 2.64Å; L1090-L1093 PolarHBondContact O-N 3.24Å; L1093-A1095 VanDerWaalsContact C-N 3.31Å; L1093-A1095 PolarHBondContact O-N 3.27Å; L1093-H1096 PolarHBondContact O-N 2.95Å; L1093-L1097 WeakPolarHBondContact O-CD2 3.47Å; L1093-L1097 WeakPolarHBondContact O-CG 3.26Å; L1093-L1097 PolarHBondContact O-N 3.34Å |
| 1094 | L | 89.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | 177.5 | -74.3 | 168.3 | 0 | 0 | 0 | 112.5 | L1064 F1075 L1090 E1091 W1092 H1096 L1097 V1103 I1108 I1111 V1112 | L1064-L1094 HydrophobicContact CD1-CD2 4.05Å; F1075-L1094 HydrophobicContact CE1-CD2 3.83Å; F1075-L1094 HydrophobicContact CZ-CD2 3.49Å; F1075-L1094 VanDerWaalsContact CZ-CD2 3.49Å; L1090-L1094 HydrophobicContact CG-CD1 4.11Å; L1090-L1094 VanDerWaalsContact O-CB 3.29Å; L1090-L1094 WeakPolarHBondContact O-CB 3.21Å; L1090-L1094 WeakPolarHBondContact O-CD1 3.41Å; L1090-L1094 WeakPolarHBondContact O-CG 3.34Å; L1090-L1094 PolarHBondContact O-N 2.99Å; E1091-L1094 PolarHBondContact O-N 3.26Å; W1092-L1094 PolarHBondContact O-N 3.38Å; L1094-H1096 VanDerWaalsContact C-N 3.34Å; L1094-H1096 PolarHBondContact O-N 2.85Å; L1094-L1097 HydrophobicContact CD2-CD1 4.39Å; L1094-V1103 HydrophobicContact CD2-CG2 4.27Å; L1094-I1108 HydrophobicContact CB-CD1 3.79Å; L1094-I1108 HydrophobicContact CB-CG1 3.95Å; L1094-I1108 HydrophobicContact CB-CG2 4.31Å; L1094-I1108 HydrophobicContact CD1-CG2 4.35Å; L1094-I1111 HydrophobicContact CD1-CB 4.18Å; L1094-I1111 HydrophobicContact CD1-CD1 4.31Å; L1094-I1111 HydrophobicContact CD1-CG2 3.72Å; L1094-V1112 HydrophobicContact CD1-CG2 4.48Å |
| 1095 | A | 85.8 | Confident | 84.2 | Confident | 23 Ų | 23 | 37.1 Ų | 37.1 | 19% | 0.19 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -29.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1013 E1091 W1092 L1093 I1108 | R1013-A1095 WeakPolarHBondContact CD-O 3.48Å; R1013-A1095 PolarHBondContact NE-O 2.78Å; R1013-A1095 VanDerWaalsContact NE-O 3.07Å; E1091-A1095 WeakPolarHBondContact O-CB 3.26Å; E1091-A1095 PolarHBondContact O-N 3.36Å; E1091-A1095 VanDerWaalsContact O-N 3.07Å; W1092-A1095 PolarHBondContact O-N 2.92Å; L1093-A1095 VanDerWaalsContact C-N 3.31Å; L1093-A1095 PolarHBondContact O-N 3.27Å; A1095-I1108 HydrophobicContact CB-CD1 4.34Å |
| 1096 | H | 84.3 | Confident | 84 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 25% | 0.245 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -105.5 | 7 | -173.7 | -60.8 | 91.6 | 0 | 0 | 0 | 114.7 | L1023 W1092 L1093 L1094 S1098 | L1023-H1096 HydrophobicContact CD1-CB 3.6Å; L1023-H1096 WeakPolarHBondContact CD1-O 3.28Å; W1092-H1096 AromaticContact CD1-CE1 3.81Å; W1092-H1096 AromaticContact CD2-CE1 3.84Å; W1092-H1096 AromaticContact CD2-ND1 3.4Å; W1092-H1096 AromaticContact CE2-CE1 3.47Å; W1092-H1096 VanDerWaalsContact CE2-CE1 3.47Å; W1092-H1096 AromaticContact CE2-ND1 3.4Å; W1092-H1096 HydrophobicContact CE3-CB 4.36Å; W1092-H1096 AromaticContact CE3-ND1 3.72Å; W1092-H1096 AromaticContact CG-ND1 3.85Å; W1092-H1096 HydrophobicContact CH2-CB 3.98Å; W1092-H1096 AromaticContact CH2-CG 3.87Å; W1092-H1096 AromaticContact CH2-ND1 3.95Å; W1092-H1096 AromaticContact CZ2-CE1 3.88Å; W1092-H1096 AromaticContact CZ2-CG 3.93Å; W1092-H1096 AromaticContact CZ2-ND1 3.71Å; W1092-H1096 HydrophobicContact CZ3-CB 3.87Å; W1092-H1096 AromaticContact CZ3-ND1 3.93Å; W1092-H1096 AromaticContact NE1-CE1 3.48Å; W1092-H1096 PolarHBondContact NE1-CE1 2.96Å; W1092-H1096 AromaticContact NE1-ND1 3.85Å; W1092-H1096 PolarHBondContact O-N 2.86Å; W1092-H1096 PolarHBondContact O-ND1 3.03Å; L1093-H1096 PolarHBondContact O-N 2.95Å; L1094-H1096 VanDerWaalsContact C-N 3.34Å; L1094-H1096 PolarHBondContact O-N 2.85Å; H1096-S1098 PolarHBondContact O-N 3.41Å; H1096-S1098 PolarHBondContact O-OG 3.06Å |
| 1097 | L | 86.3 | Confident | 84.2 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | trans | -61.1 | 110 | 176.1 | -59.9 | -173.4 | 0 | 0 | 0 | 111.4 | I1065 L1093 L1094 D1099 V1103 | I1065-L1097 HydrophobicContact CB-CD2 4.28Å; I1065-L1097 HydrophobicContact CG1-CD2 3.68Å; I1065-L1097 HydrophobicContact CG2-CD2 4.4Å; L1093-L1097 WeakPolarHBondContact O-CD2 3.47Å; L1093-L1097 WeakPolarHBondContact O-CG 3.26Å; L1093-L1097 PolarHBondContact O-N 3.34Å; L1094-L1097 HydrophobicContact CD2-CD1 4.39Å; L1097-D1099 PolarHBondContact O-N 3.06Å; L1097-V1103 HydrophobicContact CD1-CG2 4.06Å | ||
| 1098 | S | 72.9 | Confident | 84.3 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | trans | -79.5 | -17.5 | -172.5 | -60.8 | 0 | 0 | 0 | 0 | 114.4 | L1023 H1096 | L1023-S1098 PolarHBondContact O-N 2.74Å; H1096-S1098 PolarHBondContact O-N 3.41Å; H1096-S1098 PolarHBondContact O-OG 3.06Å | ||
| 1099 | D | 74.3 | Confident | 84.4 | Confident | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.171 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -79.5 | 143.7 | -178.5 | -85.9 | 16.7 | 0 | 0 | 0 | 113.5 | T1024 R1025 R1069 L1097 P1101 | T1024-D1099 VanDerWaalsContact CA-OD1 3.26Å; T1024-D1099 WeakPolarHBondContact CA-OD1 3.36Å; T1024-D1099 WeakPolarHBondContact CB-OD1 3.45Å; T1024-D1099 VanDerWaalsContact CG2-OD1 3.29Å; T1024-D1099 WeakPolarHBondContact CG2-OD1 3.42Å; R1025-D1099 WeakPolarHBondContact CB-OD2 3.48Å; R1025-D1099 WeakPolarHBondContact CD-OD2 3.42Å; R1025-D1099 WeakPolarHBondContact CG-OD2 3.43Å; R1025-D1099 PolarHBondContact N-OD2 3.27Å; R1025-D1099 IonicContact NE-OD2 2.64Å; R1069-D1099 PolarHBondContact NH1-O 3.34Å; L1097-D1099 PolarHBondContact O-N 3.06Å; D1099-P1101 CarbonylContact O-C 3.12Å |
| 1100 | P | 64.6 | Low | 84.4 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 68% | 0.682 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -73.1 | 151.7 | 169 | 30.2 | -34.2 | 0 | 0 | 0 | 112.8 | ||
| 1101 | P | 73.7 | Confident | 84.4 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | S | Bend | cis | -70.1 | 145.4 | -11.7 | 31.3 | -34.4 | 0 | 0 | 0 | 111.1 | R1069 D1099 | R1069-P1101 HydrophobicContact CB-CG 4.11Å; R1069-P1101 PolarHBondContact NH1-O 2.89Å; D1099-P1101 CarbonylContact O-C 3.12Å |
| 1102 | P | 74.5 | Confident | 84.4 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 149.9 | 170 | 30 | -35 | 0 | 0 | 0 | 109.9 | ||
| 1103 | V | 85.1 | Confident | 84.5 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 127.9 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | R1013 F1075 L1094 L1097 W1107 I1108 | R1013-V1103 PolarHBondContact NH2-O 3.11Å; F1075-V1103 HydrophobicContact CE1-CG1 4.04Å; F1075-V1103 HydrophobicContact CE1-CG2 4Å; F1075-V1103 HydrophobicContact CZ-CG2 4.06Å; L1094-V1103 HydrophobicContact CD2-CG2 4.27Å; L1097-V1103 HydrophobicContact CD1-CG2 4.06Å; V1103-W1107 HydrophobicContact CG1-CB 3.97Å; V1103-I1108 HydrophobicContact CB-CD1 4.41Å; V1103-I1108 HydrophobicContact CB-CG1 4.27Å; V1103-I1108 HydrophobicContact CG1-CD1 4.35Å; V1103-I1108 HydrophobicContact CG1-CG1 3.68Å |
| 1104 | P | 86.7 | Confident | 84.4 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 147.1 | 172.5 | -20.7 | 33.1 | 0 | 0 | 0 | 112.1 | E1106 W1107 I1108 | P1104-E1106 PolarHBondContact O-N 2.91Å; P1104-W1107 HydrophobicContact CB-CB 4.48Å; P1104-W1107 HydrophobicContact CB-CD2 4.48Å; P1104-W1107 HydrophobicContact CB-CG 4.07Å; P1104-W1107 HydrophobicContact CG-CD2 3.88Å; P1104-W1107 HydrophobicContact CG-CE3 4.42Å; P1104-W1107 HydrophobicContact CG-CG 4Å; P1104-W1107 WeakPolarHBondContact O-CB 3.13Å; P1104-W1107 PolarHBondContact O-N 2.9Å; P1104-I1108 PolarHBondContact O-N 3.41Å |
| 1105 | D | 85 | Confident | 84.4 | Confident | 94 Ų | 94 | 52.6 Ų | 52.6 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | -178.2 | -63.5 | -41.8 | 0 | 0 | 0 | 112.8 | R1013 W1107 I1108 D1109 | R1013-D1105 IonicContact CZ-OD1 2.75Å; R1013-D1105 IonicContact NH1-OD1 3.67Å; R1013-D1105 PolarHBondContact NH1-OD1 2.84Å; R1013-D1105 IonicContact NH2-OD1 3.15Å; R1013-D1105 PolarHBondContact NH2-OD1 3.41Å; D1105-W1107 PolarHBondContact O-N 3.38Å; D1105-W1107 VanDerWaalsContact O-N 3.1Å; D1105-I1108 WeakPolarHBondContact O-CA 3.3Å; D1105-I1108 WeakPolarHBondContact O-CB 2.83Å; D1105-I1108 PolarHBondContact O-N 3.12Å; D1105-D1109 PolarHBondContact O-N 2.99Å |
| 1106 | E | 85.1 | Confident | 84.4 | Confident | 156 Ų | 156 | 56.3 Ų | 56.3 | 73% | 0.729 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -53.1 | -32.1 | 171.8 | -59.7 | 175.9 | 175.7 | 0 | 0 | 113 | P1104 L1110 | P1104-E1106 PolarHBondContact O-N 2.91Å; E1106-L1110 WeakPolarHBondContact O-CB 3.26Å; E1106-L1110 PolarHBondContact O-N 3.25Å |
| 1107 | W | 92.4 | Very high | 84.3 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -79.7 | -35.4 | 177.6 | -65 | 17 | 0 | 0 | 0 | 111 | L1072 F1075 V1103 P1104 D1105 I1111 | L1072-W1107 HydrophobicContact CB-CD2 4.27Å; L1072-W1107 HydrophobicContact CB-CE3 4.35Å; L1072-W1107 HydrophobicContact CB-CH2 4Å; L1072-W1107 HydrophobicContact CB-CZ2 3.89Å; L1072-W1107 HydrophobicContact CB-CZ3 4.23Å; L1072-W1107 HydrophobicContact CD1-CB 4.14Å; L1072-W1107 HydrophobicContact CD1-CD2 3.71Å; L1072-W1107 HydrophobicContact CD1-CE3 3.95Å; L1072-W1107 HydrophobicContact CD1-CG 3.8Å; L1072-W1107 HydrophobicContact CG-CD2 4.37Å; F1075-W1107 HydrophobicContact CD1-CE3 4.37Å; V1103-W1107 HydrophobicContact CG1-CB 3.97Å; P1104-W1107 HydrophobicContact CB-CB 4.48Å; P1104-W1107 HydrophobicContact CB-CD2 4.48Å; P1104-W1107 HydrophobicContact CB-CG 4.07Å; P1104-W1107 HydrophobicContact CG-CD2 3.88Å; P1104-W1107 HydrophobicContact CG-CE3 4.42Å; P1104-W1107 HydrophobicContact CG-CG 4Å; P1104-W1107 WeakPolarHBondContact O-CB 3.13Å; P1104-W1107 PolarHBondContact O-N 2.9Å; D1105-W1107 PolarHBondContact O-N 3.38Å; D1105-W1107 VanDerWaalsContact O-N 3.1Å; W1107-I1111 WeakPolarHBondContact O-CB 3.44Å; W1107-I1111 VanDerWaalsContact O-CD1 3.29Å; W1107-I1111 WeakPolarHBondContact O-CD1 3.32Å; W1107-I1111 WeakPolarHBondContact O-CG1 3.33Å; W1107-I1111 PolarHBondContact O-N 2.97Å |
| 1108 | I | 90.9 | Very high | 84.4 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -52.4 | 175.1 | -59.3 | -171.3 | 0 | 0 | 0 | 109.6 | R1013 E1091 L1094 A1095 V1103 P1104 D1105 L1110 I1111 V1112 | R1013-I1108 VanDerWaalsContact NH2-CD1 3.29Å; E1091-I1108 HydrophobicContact CG-CG2 4.47Å; L1094-I1108 HydrophobicContact CB-CD1 3.79Å; L1094-I1108 HydrophobicContact CB-CG1 3.95Å; L1094-I1108 HydrophobicContact CB-CG2 4.31Å; L1094-I1108 HydrophobicContact CD1-CG2 4.35Å; A1095-I1108 HydrophobicContact CB-CD1 4.34Å; V1103-I1108 HydrophobicContact CB-CD1 4.41Å; V1103-I1108 HydrophobicContact CB-CG1 4.27Å; V1103-I1108 HydrophobicContact CG1-CD1 4.35Å; V1103-I1108 HydrophobicContact CG1-CG1 3.68Å; P1104-I1108 PolarHBondContact O-N 3.41Å; D1105-I1108 WeakPolarHBondContact O-CA 3.3Å; D1105-I1108 WeakPolarHBondContact O-CB 2.83Å; D1105-I1108 PolarHBondContact O-N 3.12Å; I1108-L1110 VanDerWaalsContact C-N 3.26Å; I1108-L1110 PolarHBondContact O-N 3.37Å; I1108-I1111 PolarHBondContact O-N 2.73Å; I1108-I1111 VanDerWaalsContact O-N 3.12Å; I1108-V1112 HydrophobicContact CG2-CG2 3.76Å; I1108-V1112 VanDerWaalsContact O-CB 3.23Å; I1108-V1112 WeakPolarHBondContact O-CB 3.37Å; I1108-V1112 WeakPolarHBondContact O-CG2 3.09Å; I1108-V1112 PolarHBondContact O-N 2.96Å |
| 1109 | D | 88.7 | Confident | 85.1 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -54.6 | -44 | 179.6 | -72.1 | -22.6 | 0 | 0 | 0 | 111.7 | D1105 T1113 | D1105-D1109 PolarHBondContact O-N 2.99Å; D1109-T1113 VanDerWaalsContact O-CB 3.26Å; D1109-T1113 WeakPolarHBondContact O-CB 3.42Å; D1109-T1113 PolarHBondContact O-N 3.17Å; D1109-T1113 PolarHBondContact O-OG1 3.33Å |
| 1110 | L | 90.9 | Very high | 85.6 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 177.3 | -170 | 70.6 | 0 | 0 | 0 | 112.1 | L1072 Y1076 E1106 I1108 G1114 | L1072-L1110 HydrophobicContact CD2-CD2 4.17Å; Y1076-L1110 HydrophobicContact CD2-CD2 4.32Å; Y1076-L1110 HydrophobicContact CD2-CG 4.34Å; Y1076-L1110 HydrophobicContact CE2-CB 4.4Å; Y1076-L1110 HydrophobicContact CE2-CD2 4.13Å; Y1076-L1110 HydrophobicContact CE2-CG 3.71Å; Y1076-L1110 WeakPolarHBondContact CE2-O 3.27Å; Y1076-L1110 PolarHBondContact OH-O 3.47Å; E1106-L1110 WeakPolarHBondContact O-CB 3.26Å; E1106-L1110 PolarHBondContact O-N 3.25Å; I1108-L1110 VanDerWaalsContact C-N 3.26Å; I1108-L1110 PolarHBondContact O-N 3.37Å; L1110-G1114 PolarHBondContact O-N 3.04Å |
| 1111 | I | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | -179.7 | -71.3 | 163.6 | 0 | 0 | 0 | 110.6 | F1075 Y1076 C1079 L1090 L1094 W1107 I1108 G1114 A1115 | F1075-I1111 HydrophobicContact CD1-CD1 3.72Å; F1075-I1111 HydrophobicContact CE1-CD1 3.64Å; Y1076-I1111 HydrophobicContact CD2-CB 4.38Å; Y1076-I1111 HydrophobicContact CD2-CG1 3.56Å; Y1076-I1111 HydrophobicContact CE2-CB 4.46Å; Y1076-I1111 HydrophobicContact CE2-CG1 4.08Å; C1079-I1111 HydrophobicContact CB-CG2 3.61Å; L1090-I1111 HydrophobicContact CD2-CG2 3.63Å; L1090-I1111 HydrophobicContact CG-CG2 4.49Å; L1094-I1111 HydrophobicContact CD1-CB 4.18Å; L1094-I1111 HydrophobicContact CD1-CD1 4.31Å; L1094-I1111 HydrophobicContact CD1-CG2 3.72Å; W1107-I1111 WeakPolarHBondContact O-CB 3.44Å; W1107-I1111 VanDerWaalsContact O-CD1 3.29Å; W1107-I1111 WeakPolarHBondContact O-CD1 3.32Å; W1107-I1111 WeakPolarHBondContact O-CG1 3.33Å; W1107-I1111 PolarHBondContact O-N 2.97Å; I1108-I1111 PolarHBondContact O-N 2.73Å; I1108-I1111 VanDerWaalsContact O-N 3.12Å; I1111-G1114 PolarHBondContact O-N 3.08Å; I1111-A1115 WeakPolarHBondContact O-CB 3.46Å; I1111-A1115 PolarHBondContact O-N 3.46Å |
| 1112 | V | 91.4 | Very high | 86.6 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | -178.6 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | E1091 L1094 I1108 G1114 A1115 K1116 | E1091-V1112 HydrophobicContact CB-CG1 4.18Å; E1091-V1112 HydrophobicContact CB-CG2 3.55Å; E1091-V1112 HydrophobicContact CG-CG1 4.26Å; E1091-V1112 HydrophobicContact CG-CG2 3.9Å; E1091-V1112 WeakPolarHBondContact OE2-CG1 3.25Å; L1094-V1112 HydrophobicContact CD1-CG2 4.48Å; I1108-V1112 HydrophobicContact CG2-CG2 3.76Å; I1108-V1112 VanDerWaalsContact O-CB 3.23Å; I1108-V1112 WeakPolarHBondContact O-CB 3.37Å; I1108-V1112 WeakPolarHBondContact O-CG2 3.09Å; I1108-V1112 PolarHBondContact O-N 2.96Å; V1112-G1114 VanDerWaalsContact C-N 3.33Å; V1112-G1114 PolarHBondContact O-N 3.22Å; V1112-A1115 PolarHBondContact O-N 2.87Å; V1112-K1116 HydrophobicContact CG1-CD 3.98Å; V1112-K1116 VanDerWaalsContact CG1-CE 3.42Å; V1112-K1116 WeakPolarHBondContact O-CG 3.36Å; V1112-K1116 PolarHBondContact O-N 3.29Å |
| 1113 | T | 90.1 | Very high | 86.8 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 172.8 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | D1109 K1116 | D1109-T1113 VanDerWaalsContact O-CB 3.26Å; D1109-T1113 WeakPolarHBondContact O-CB 3.42Å; D1109-T1113 PolarHBondContact O-N 3.17Å; D1109-T1113 PolarHBondContact O-OG1 3.33Å; T1113-K1116 PolarHBondContact O-N 3.08Å |
| 1114 | G | 87.4 | Confident | 86.2 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1110 I1111 V1112 K1116 E1117 V1118 | L1110-G1114 PolarHBondContact O-N 3.04Å; I1111-G1114 PolarHBondContact O-N 3.08Å; V1112-G1114 VanDerWaalsContact C-N 3.33Å; V1112-G1114 PolarHBondContact O-N 3.22Å; G1114-K1116 VanDerWaalsContact C-N 3.35Å; G1114-K1116 PolarHBondContact O-N 3.33Å; G1114-E1117 PolarHBondContact O-N 3.21Å; G1114-V1118 WeakPolarHBondContact O-CB 3.47Å; G1114-V1118 WeakPolarHBondContact O-CG2 3.48Å; G1114-V1118 PolarHBondContact O-N 3.44Å |
| 1115 | A | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1090 I1111 V1112 E1117 V1118 N1119 D1120 | L1090-A1115 HydrophobicContact CD2-CB 3.51Å; I1111-A1115 WeakPolarHBondContact O-CB 3.46Å; I1111-A1115 PolarHBondContact O-N 3.46Å; V1112-A1115 PolarHBondContact O-N 2.87Å; A1115-E1117 VanDerWaalsContact C-N 3.29Å; A1115-E1117 PolarHBondContact O-N 2.89Å; A1115-V1118 PolarHBondContact O-N 3.35Å; A1115-N1119 HydrophobicContact CB-CB 4.39Å; A1115-N1119 WeakPolarHBondContact O-CA 3.46Å; A1115-N1119 WeakPolarHBondContact O-CB 3.41Å; A1115-N1119 PolarHBondContact O-N 2.95Å; A1115-D1120 PolarHBondContact O-N 2.95Å |
| 1116 | K | 86.6 | Confident | 84.5 | Confident | 101 Ų | 101 | 55.8 Ų | 55.8 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -32.9 | 175.3 | -76.3 | 166.7 | -178.2 | 162.7 | 0 | 112.3 | S1087 E1091 V1112 T1113 G1114 D1120 | S1087-K1116 VanDerWaalsContact CB-CG 3.42Å; S1087-K1116 VanDerWaalsContact OG-CE 3.31Å; S1087-K1116 WeakPolarHBondContact OG-CE 3.45Å; S1087-K1116 VanDerWaalsContact OG-CG 3.26Å; S1087-K1116 WeakPolarHBondContact OG-CG 3.43Å; E1091-K1116 IonicContact OE2-NZ 3.75Å; E1091-K1116 PolarHBondContact OE2-NZ 3.15Å; V1112-K1116 HydrophobicContact CG1-CD 3.98Å; V1112-K1116 VanDerWaalsContact CG1-CE 3.42Å; V1112-K1116 WeakPolarHBondContact O-CG 3.36Å; V1112-K1116 PolarHBondContact O-N 3.29Å; T1113-K1116 PolarHBondContact O-N 3.08Å; G1114-K1116 VanDerWaalsContact C-N 3.35Å; G1114-K1116 PolarHBondContact O-N 3.33Å; K1116-D1120 WeakPolarHBondContact CA-OD2 3.44Å |
| 1117 | E | 82.5 | Confident | 83.5 | Confident | 108 Ų | 108 | 50 Ų | 50 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -79.8 | -31.5 | 174.2 | -65 | -172.3 | 149.7 | 0 | 0 | 113.6 | G1114 A1115 W2278 | G1114-E1117 PolarHBondContact O-N 3.21Å; A1115-E1117 VanDerWaalsContact C-N 3.29Å; A1115-E1117 PolarHBondContact O-N 2.89Å; E1117-W2278 WeakPolarHBondContact OE2-CH2 3.16Å; E1117-W2278 WeakPolarHBondContact OE2-CZ2 3.33Å |
| 1118 | V | 86.6 | Confident | 82 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -115.2 | -34.8 | -160.6 | 176.4 | 0 | 0 | 0 | 0 | 114.9 | I1080 G1114 A1115 R2275 | I1080-V1118 HydrophobicContact CG2-CB 4.1Å; I1080-V1118 HydrophobicContact CG2-CG1 3.71Å; I1080-V1118 HydrophobicContact CG2-CG2 4.34Å; G1114-V1118 WeakPolarHBondContact O-CB 3.47Å; G1114-V1118 WeakPolarHBondContact O-CG2 3.48Å; G1114-V1118 PolarHBondContact O-N 3.44Å; A1115-V1118 PolarHBondContact O-N 3.35Å; V1118-R2275 VanDerWaalsContact CG1-NH2 3.32Å; V1118-R2275 PolarHBondContact O-NH2 2.83Å |
| 1119 | N | 88 | Confident | 80.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -47.7 | -179 | -71.1 | 18.9 | 0 | 0 | 0 | 111.1 | I1080 L1082 L1085 A1115 R1121 A1122 Y1123 | I1080-N1119 PolarHBondContact O-OD1 3.03Å; L1082-N1119 PolarHBondContact O-ND2 2.93Å; L1082-N1119 VanDerWaalsContact O-ND2 3.09Å; L1085-N1119 WeakPolarHBondContact O-CB 3.13Å; L1085-N1119 PolarHBondContact O-ND2 3.15Å; A1115-N1119 HydrophobicContact CB-CB 4.39Å; A1115-N1119 WeakPolarHBondContact O-CA 3.46Å; A1115-N1119 WeakPolarHBondContact O-CB 3.41Å; A1115-N1119 PolarHBondContact O-N 2.95Å; N1119-R1121 PolarHBondContact O-N 3.42Å; N1119-A1122 CarbonylContact O-C 3.56Å; N1119-A1122 WeakPolarHBondContact O-CA 3.27Å; N1119-A1122 WeakPolarHBondContact O-CB 3.29Å; N1119-A1122 PolarHBondContact O-N 3.29Å; N1119-Y1123 PolarHBondContact O-N 3.42Å |
| 1120 | D | 86.3 | Confident | 78.6 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -31.5 | 179.8 | -65.3 | -18.7 | 0 | 0 | 0 | 111.6 | N1086 S1087 A1115 K1116 Y1123 A1124 L1144 | N1086-D1120 WeakPolarHBondContact CA-OD1 3.45Å; N1086-D1120 WeakPolarHBondContact CB-OD1 3.28Å; S1087-D1120 WeakPolarHBondContact CB-OD2 3.43Å; S1087-D1120 PolarHBondContact N-OD1 3.43Å; S1087-D1120 PolarHBondContact OG-OD1 3.06Å; S1087-D1120 PolarHBondContact OG-OD2 3.3Å; A1115-D1120 PolarHBondContact O-N 2.95Å; K1116-D1120 WeakPolarHBondContact CA-OD2 3.44Å; D1120-Y1123 PolarHBondContact O-N 3.01Å; D1120-A1124 WeakPolarHBondContact O-CB 3.19Å; D1120-A1124 PolarHBondContact O-N 3.08Å; D1120-L1144 HydrophobicContact CB-CD1 4.11Å; D1120-L1144 HydrophobicContact CB-CD2 4.43Å; D1120-L1144 VanDerWaalsContact CG-CD1 3.47Å; D1120-L1144 WeakPolarHBondContact OD2-CD1 3.4Å |
| 1121 | R | 81.1 | Confident | 76.5 | Confident | 181 Ų | 181 | 55.2 Ų | 55.2 | 68% | 0.683 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 169.6 | -169.8 | 178 | -172.9 | 123.1 | 6.8 | 112.8 | N1119 Y1123 A1124 D1125 | N1119-R1121 PolarHBondContact O-N 3.42Å; R1121-Y1123 VanDerWaalsContact C-N 3.3Å; R1121-Y1123 PolarHBondContact O-N 3.27Å; R1121-A1124 PolarHBondContact O-N 2.84Å; R1121-D1125 PolarHBondContact O-N 3.42Å |
| 1122 | A | 77.7 | Confident | 74.4 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.5 | -31.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1083 N1119 E1126 | I1083-A1122 HydrophobicContact CB-CB 4.39Å; N1119-A1122 CarbonylContact O-C 3.56Å; N1119-A1122 WeakPolarHBondContact O-CA 3.27Å; N1119-A1122 WeakPolarHBondContact O-CB 3.29Å; N1119-A1122 PolarHBondContact O-N 3.29Å; A1122-E1126 PolarHBondContact O-N 3.16Å |
| 1123 | Y | 78.8 | Confident | 72 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 8% | 0.078 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.3 | -41.6 | 172.8 | -176 | -106.4 | 0 | 0 | 0 | 112 | N1119 D1120 R1121 E1126 I1127 L1144 | N1119-Y1123 PolarHBondContact O-N 3.42Å; D1120-Y1123 PolarHBondContact O-N 3.01Å; R1121-Y1123 VanDerWaalsContact C-N 3.3Å; R1121-Y1123 PolarHBondContact O-N 3.27Å; Y1123-E1126 WeakPolarHBondContact O-CB 3.31Å; Y1123-E1126 PolarHBondContact O-N 3.22Å; Y1123-E1126 VanDerWaalsContact O-N 3.13Å; Y1123-I1127 HydrophobicContact CD1-CD1 4.02Å; Y1123-I1127 HydrophobicContact CE1-CD1 3.41Å; Y1123-I1127 VanDerWaalsContact CE1-CD1 3.41Å; Y1123-I1127 HydrophobicContact CE1-CG1 4.44Å; Y1123-I1127 HydrophobicContact CE2-CD1 4.33Å; Y1123-I1127 PolarHBondContact O-N 2.98Å; Y1123-L1144 HydrophobicContact CD1-CD2 3.59Å; Y1123-L1144 HydrophobicContact CE1-CD2 3.83Å |
| 1124 | A | 71.6 | Confident | 69.7 | Low | 54 Ų | 54 | 61.1 Ų | 61.1 | 45% | 0.446 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1120 R1121 E1126 I1127 E1128 | D1120-A1124 WeakPolarHBondContact O-CB 3.19Å; D1120-A1124 PolarHBondContact O-N 3.08Å; R1121-A1124 PolarHBondContact O-N 2.84Å; A1124-E1126 PolarHBondContact O-N 3.23Å; A1124-I1127 PolarHBondContact O-N 2.99Å; A1124-E1128 WeakPolarHBondContact O-CB 3.39Å; A1124-E1128 PolarHBondContact O-N 2.96Å |
| 1125 | D | 68.2 | Low | 67.4 | Low | 56 Ų | 56 | 64.4 Ų | 64.4 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.3 | -31.9 | 172.1 | -79.9 | 14.9 | 0 | 0 | 0 | 112.1 | R1121 R2271 | R1121-D1125 PolarHBondContact O-N 3.42Å; D1125-R2271 IonicContact OD2-CZ 2.84Å; D1125-R2271 IonicContact OD2-NE 3.09Å; D1125-R2271 IonicContact OD2-NH2 2.84Å; D1125-R2271 PolarHBondContact OD2-NH2 2.71Å |
| 1126 | E | 67.3 | Low | 65.1 | Low | 76 Ų | 76 | 69.2 Ų | 69.2 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77.5 | -46.2 | 177.7 | -157 | -171 | 141.3 | 0 | 0 | 111.9 | R1054 A1122 Y1123 A1124 H1129 Y1130 | R1054-E1126 IonicContact NH1-OE1 3.77Å; A1122-E1126 PolarHBondContact O-N 3.16Å; Y1123-E1126 WeakPolarHBondContact O-CB 3.31Å; Y1123-E1126 PolarHBondContact O-N 3.22Å; Y1123-E1126 VanDerWaalsContact O-N 3.13Å; A1124-E1126 PolarHBondContact O-N 3.23Å; E1126-H1129 WeakPolarHBondContact O-CB 3.45Å; E1126-H1129 PolarHBondContact O-N 2.77Å; E1126-Y1130 HydrophobicContact CG-CE2 3.77Å; E1126-Y1130 WeakPolarHBondContact O-CD2 3.1Å; E1126-Y1130 PolarHBondContact O-N 2.85Å; E1126-Y1130 WeakPolarHBondContact OE1-CE2 3.46Å; E1126-Y1130 PolarHBondContact OE1-OH 2.72Å |
| 1127 | I | 65.3 | Low | 62.6 | Low | 34 Ų | 34 | 68.9 Ų | 68.9 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 179.3 | -70.9 | -177.3 | 0 | 0 | 0 | 112.2 | Y1123 A1124 H1129 Y1130 N1131 | Y1123-I1127 HydrophobicContact CD1-CD1 4.02Å; Y1123-I1127 HydrophobicContact CE1-CD1 3.41Å; Y1123-I1127 VanDerWaalsContact CE1-CD1 3.41Å; Y1123-I1127 HydrophobicContact CE1-CG1 4.44Å; Y1123-I1127 HydrophobicContact CE2-CD1 4.33Å; Y1123-I1127 PolarHBondContact O-N 2.98Å; A1124-I1127 PolarHBondContact O-N 2.99Å; I1127-H1129 PolarHBondContact O-N 3.48Å; I1127-Y1130 PolarHBondContact O-N 3.08Å; I1127-N1131 PolarHBondContact O-N 3.03Å |
| 1128 | E | 61.3 | Low | 60.5 | Low | 130 Ų | 130 | 69.1 Ų | 69.1 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | 176.8 | -167.2 | 171.4 | -140.7 | 0 | 0 | 110.8 | A1124 Y1130 N1131 I1132 | A1124-E1128 WeakPolarHBondContact O-CB 3.39Å; A1124-E1128 PolarHBondContact O-N 2.96Å; E1128-Y1130 VanDerWaalsContact C-N 3.3Å; E1128-Y1130 PolarHBondContact O-N 3.07Å; E1128-N1131 PolarHBondContact O-N 3.38Å; E1128-I1132 HydrophobicContact CG-CD1 4.08Å; E1128-I1132 HydrophobicContact CG-CG1 4.49Å; E1128-I1132 WeakPolarHBondContact O-CD1 3.21Å; E1128-I1132 VanDerWaalsContact O-CG1 3.27Å; E1128-I1132 WeakPolarHBondContact O-CG1 3.48Å; E1128-I1132 PolarHBondContact O-N 2.82Å; E1128-I1132 VanDerWaalsContact O-N 3.12Å |
| 1129 | H | 54.8 | Low | 58.3 | Low | 118 Ų | 118 | 76.1 Ų | 76.1 | 55% | 0.546 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -27.4 | 173.3 | -109.6 | -62.3 | 0 | 0 | 0 | 114.4 | E1126 I1127 N1133 | E1126-H1129 WeakPolarHBondContact O-CB 3.45Å; E1126-H1129 PolarHBondContact O-N 2.77Å; I1127-H1129 PolarHBondContact O-N 3.48Å; H1129-N1133 PolarHBondContact O-ND2 3.39Å; H1129-N1133 VanDerWaalsContact O-ND2 3.11Å |
| 1130 | Y | 52.5 | Low | 56.1 | Low | 42 Ų | 42 | 81.9 Ų | 81.9 | 17% | 0.165 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -77.2 | -47.4 | 171.8 | -60.7 | -45.1 | 0 | 0 | 0 | 111.4 | R1054 E1126 I1127 E1128 I1132 N1133 I1154 | R1054-Y1130 PolarHBondContact NH1-OH 3.13Å; E1126-Y1130 HydrophobicContact CG-CE2 3.77Å; E1126-Y1130 WeakPolarHBondContact O-CD2 3.1Å; E1126-Y1130 PolarHBondContact O-N 2.85Å; E1126-Y1130 WeakPolarHBondContact OE1-CE2 3.46Å; E1126-Y1130 PolarHBondContact OE1-OH 2.72Å; I1127-Y1130 PolarHBondContact O-N 3.08Å; E1128-Y1130 VanDerWaalsContact C-N 3.3Å; E1128-Y1130 PolarHBondContact O-N 3.07Å; Y1130-I1132 PolarHBondContact O-N 3.15Å; Y1130-N1133 PolarHBondContact O-N 3.28Å; Y1130-I1154 HydrophobicContact CD1-CD1 3.84Å; Y1130-I1154 HydrophobicContact CD1-CG1 3.6Å; Y1130-I1154 HydrophobicContact CE1-CD1 3.41Å; Y1130-I1154 VanDerWaalsContact CE1-CD1 3.41Å; Y1130-I1154 HydrophobicContact CE1-CG1 3.73Å; Y1130-I1154 HydrophobicContact CG-CG1 4.36Å |
| 1131 | N | 46.8 | Very low | 54 | Low | 82 Ų | 82 | 88.8 Ų | 88.8 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.7 | -29 | -173.7 | -72 | -18.5 | 0 | 0 | 0 | 114.5 | I1127 E1128 N1133 T1134 | I1127-N1131 PolarHBondContact O-N 3.03Å; E1128-N1131 PolarHBondContact O-N 3.38Å; N1131-N1133 PolarHBondContact O-N 3.26Å; N1131-T1134 PolarHBondContact O-N 3.19Å; N1131-T1134 PolarHBondContact O-OG1 3.49Å; N1131-T1134 VanDerWaalsContact O-OG1 3.14Å |
| 1132 | I | 49.1 | Very low | 52.5 | Low | 95 Ų | 95 | 82.8 Ų | 82.8 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.3 | 176.7 | -74.5 | 165.4 | 0 | 0 | 0 | 112.9 | E1128 Y1130 | E1128-I1132 HydrophobicContact CG-CD1 4.08Å; E1128-I1132 HydrophobicContact CG-CG1 4.49Å; E1128-I1132 WeakPolarHBondContact O-CD1 3.21Å; E1128-I1132 VanDerWaalsContact O-CG1 3.27Å; E1128-I1132 WeakPolarHBondContact O-CG1 3.48Å; E1128-I1132 PolarHBondContact O-N 2.82Å; E1128-I1132 VanDerWaalsContact O-N 3.12Å; Y1130-I1132 PolarHBondContact O-N 3.15Å |
| 1133 | N | 41.3 | Very low | 51.4 | Low | 83 Ų | 83 | 90.1 Ų | 90.1 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -17.5 | -176.6 | -65.5 | -65.3 | 0 | 0 | 0 | 115.1 | H1129 Y1130 N1131 R1304 | H1129-N1133 PolarHBondContact O-ND2 3.39Å; H1129-N1133 VanDerWaalsContact O-ND2 3.11Å; Y1130-N1133 PolarHBondContact O-N 3.28Å; N1131-N1133 PolarHBondContact O-N 3.26Å; N1133-R1304 PolarHBondContact O-NH1 2.64Å |
| 1134 | T | 41.1 | Very low | 50.8 | Low | 39 Ų | 39 | 91.9 Ų | 91.9 | 24% | 0.239 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -29.7 | -175.2 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | N1131 Q1136 P1155 | N1131-T1134 PolarHBondContact O-N 3.19Å; N1131-T1134 PolarHBondContact O-OG1 3.49Å; N1131-T1134 VanDerWaalsContact O-OG1 3.14Å; T1134-Q1136 VanDerWaalsContact C-N 3.28Å; T1134-Q1136 PolarHBondContact O-N 2.89Å; T1134-P1155 HydrophobicContact CG2-CG 4.24Å |
| 1135 | G | 39.2 | Very low | 50.9 | Low | 71 Ų | 71 | 93.3 Ų | 93.3 | 73% | 0.732 | 50% | 0.5 | S | S | * | . | trans | 77.3 | 5.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1137 | G1135-S1137 PolarHBondContact O-N 3.45Š| ||
| 1136 | Q | 40.5 | Very low | 51.3 | Low | 101 Ų | 101 | 93 Ų | 93 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | trans | -82.5 | 111.1 | 168.6 | -78.1 | -176.4 | -91.4 | 0 | 0 | 110.3 | T1134 D1138 V2409 | T1134-Q1136 VanDerWaalsContact C-N 3.28Å; T1134-Q1136 PolarHBondContact O-N 2.89Å; Q1136-D1138 PolarHBondContact NE2-OD2 3.22Å; Q1136-D1138 PolarHBondContact O-N 2.91Å; Q1136-V2409 HydrophobicContact CG-CG2 3.45Å; Q1136-V2409 VanDerWaalsContact CG-CG2 3.45Å | ||
| 1137 | S | 35.3 | Very low | 52 | Low | 95 Ų | 95 | 91.9 Ų | 91.9 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | trans | -89 | 50.1 | 166.9 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | G1135 | G1135-S1137 PolarHBondContact O-N 3.45Š| ||
| 1138 | D | 37.9 | Very low | 52.8 | Low | 112 Ų | 112 | 91.6 Ų | 91.6 | 60% | 0.599 | 49% | 0.492 | S | S | * | . | trans | -82.3 | 116.3 | 168.1 | -84.3 | -51.9 | 0 | 0 | 0 | 108.6 | Q1136 T1140 | Q1136-D1138 PolarHBondContact NE2-OD2 3.22Å; Q1136-D1138 PolarHBondContact O-N 2.91Å; D1138-T1140 PolarHBondContact O-N 2.55Å | ||
| 1139 | H | 40.2 | Very low | 53.6 | Low | 176 Ų | 176 | 88.4 Ų | 88.4 | 82% | 0.815 | 48% | 0.479 | S | S | * | . | trans | -79.1 | 21.7 | -169.2 | -66.6 | -56.9 | 0 | 0 | 0 | 114.8 | L1141 | H1139-L1141 PolarHBondContact O-N 2.82Š| ||
| 1140 | T | 42.1 | Very low | 54.7 | Low | 121 Ų | 121 | 88.9 Ų | 88.9 | 74% | 0.742 | 48% | 0.48 | S | S | * | . | trans | -73.1 | 81.3 | 163.4 | 53 | 0 | 0 | 0 | 0 | 109.1 | D1138 S1142 | D1138-T1140 PolarHBondContact O-N 2.55Å; T1140-S1142 PolarHBondContact O-N 3.27Å | ||
| 1141 | L | 42.5 | Very low | 55.6 | Low | 163 Ų | 163 | 90.2 Ų | 90.2 | 85% | 0.853 | 49% | 0.487 | S | S | * | . | trans | -44.5 | 128.6 | 158.7 | -89 | 157.6 | 0 | 0 | 0 | 108.3 | H1139 E1143 | H1139-L1141 PolarHBondContact O-N 2.82Å; L1141-E1143 PolarHBondContact O-N 2.88Å | ||
| 1142 | S | 48.3 | Very low | 57.1 | Low | 55 Ų | 55 | 87.2 Ų | 87.2 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | trans | -67.5 | 89 | 170.3 | -54.9 | 0 | 0 | 0 | 0 | 108.4 | T1140 L1144 | T1140-S1142 PolarHBondContact O-N 3.27Å; S1142-L1144 PolarHBondContact O-N 3.38Å | ||
| 1143 | E | 55.9 | Low | 58 | Low | 170 Ų | 170 | 85.9 Ų | 85.9 | 79% | 0.794 | 47% | 0.469 | S | S | * | . | trans | -45 | 133.9 | 170.8 | -172.9 | 168.2 | -130.2 | 0 | 0 | 109.1 | L1141 Q1145 | L1141-E1143 PolarHBondContact O-N 2.88Å; E1143-Q1145 WeakPolarHBondContact O-CG 3.48Å; E1143-Q1145 PolarHBondContact O-N 3Å | ||
| 1144 | L | 66.5 | Low | 59.3 | Low | 56 Ų | 56 | 83.9 Ų | 83.9 | 29% | 0.293 | 46% | 0.458 | S | S | . | . | trans | -57.2 | 107.6 | -166.2 | -69.1 | 171.7 | 0 | 0 | 0 | 110.6 | N1086 I1088 D1120 Y1123 S1142 | N1086-L1144 HydrophobicContact CB-CD2 4.27Å; I1088-L1144 HydrophobicContact CD1-CB 3.76Å; I1088-L1144 WeakPolarHBondContact CD1-O 3.36Å; D1120-L1144 HydrophobicContact CB-CD1 4.11Å; D1120-L1144 HydrophobicContact CB-CD2 4.43Å; D1120-L1144 VanDerWaalsContact CG-CD1 3.47Å; D1120-L1144 WeakPolarHBondContact OD2-CD1 3.4Å; Y1123-L1144 HydrophobicContact CD1-CD2 3.59Å; Y1123-L1144 HydrophobicContact CE1-CD2 3.83Å; S1142-L1144 PolarHBondContact O-N 3.38Å | ||
| 1145 | Q | 73.8 | Confident | 60.7 | Low | 85 Ų | 85 | 84.1 Ų | 84.1 | 40% | 0.397 | 46% | 0.46 | S | S | . | . | trans | -86.7 | 136.7 | -173.4 | -57.4 | -158.7 | -31.5 | 0 | 0 | 110.8 | N1086 Q1089 E1143 N1147 | N1086-Q1145 PolarHBondContact ND2-O 3.27Å; Q1089-Q1145 PolarHBondContact NE2-O 2.86Å; E1143-Q1145 WeakPolarHBondContact O-CG 3.48Å; E1143-Q1145 PolarHBondContact O-N 3Å; Q1145-N1147 VanDerWaalsContact CB-O 3.25Å; Q1145-N1147 WeakPolarHBondContact CB-O 3.22Å | ||
| 1146 | L | 76.7 | Confident | 62.8 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -63.7 | -58 | 168.8 | 178.6 | 60.7 | 0 | 0 | 0 | 109.3 | I1006 I1088 Q1089 W1092 | I1006-L1146 HydrophobicContact CD1-CD1 4.16Å; I1006-L1146 HydrophobicContact CD1-CG 4.05Å; I1006-L1146 VanDerWaalsContact CD1-O 3.22Å; I1006-L1146 WeakPolarHBondContact CD1-O 3.31Å; I1006-L1146 HydrophobicContact CG1-CD1 4.26Å; I1006-L1146 HydrophobicContact CG1-CG 4.26Å; I1006-L1146 HydrophobicContact CG2-CD2 3.68Å; I1006-L1146 HydrophobicContact CG2-CG 3.78Å; I1088-L1146 HydrophobicContact CG2-CB 4.15Å; I1088-L1146 HydrophobicContact CG2-CD1 4.23Å; Q1089-L1146 HydrophobicContact CG-CD1 4.35Å; Q1089-L1146 WeakPolarHBondContact CG-O 3.48Å; Q1089-L1146 PolarHBondContact NE2-O 2.94Å; W1092-L1146 HydrophobicContact CB-CD1 3.54Å; W1092-L1146 HydrophobicContact CD2-CD1 4.38Å; W1092-L1146 HydrophobicContact CG-CD1 3.66Å; W1092-L1146 HydrophobicContact CG-CD2 4.1Å |
| 1147 | N | 80.7 | Confident | 64.8 | Low | 52 Ų | 52 | 82.2 Ų | 82.2 | 28% | 0.278 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -70.5 | 145.4 | 173.7 | -86 | -18.9 | 0 | 0 | 0 | 112.2 | N1002 I1006 D1007 Q1145 | N1002-N1147 PolarHBondContact OD1-OD1 3.13Å; I1006-N1147 WeakPolarHBondContact CB-OD1 3.47Å; I1006-N1147 WeakPolarHBondContact CD1-OD1 3.33Å; I1006-N1147 VanDerWaalsContact CG2-OD1 3.22Å; I1006-N1147 WeakPolarHBondContact CG2-OD1 3.33Å; D1007-N1147 PolarHBondContact OD1-ND2 3.16Å; Q1145-N1147 VanDerWaalsContact CB-O 3.25Å; Q1145-N1147 WeakPolarHBondContact CB-O 3.22Å |
| 1148 | E | 81.7 | Confident | 67.1 | Low | 28 Ų | 28 | 80.9 Ų | 80.9 | 13% | 0.131 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 145.6 | 171.7 | 175.7 | 67 | 135.8 | 0 | 0 | 110.9 | H994 A998 F1001 N1002 R1057 | H994-E1148 IonicContact CE1-OE1 3.65Å; H994-E1148 PolarHBondContact CE1-OE1 3.07Å; H994-E1148 IonicContact ND1-OE1 2.74Å; A998-E1148 HydrophobicContact CB-CB 4.23Å; A998-E1148 HydrophobicContact CB-CG 3.74Å; F1001-E1148 HydrophobicContact CD1-CB 3.84Å; N1002-E1148 PolarHBondContact ND2-O 2.93Å; N1002-E1148 PolarHBondContact OD1-N 2.66Å; R1057-E1148 IonicContact CZ-OE1 3.02Å; R1057-E1148 VanDerWaalsContact CZ-OE1 3.31Å; R1057-E1148 IonicContact CZ-OE2 3.55Å; R1057-E1148 VanDerWaalsContact CZ-OE2 3.24Å; R1057-E1148 IonicContact NH1-OE1 2.68Å; R1057-E1148 PolarHBondContact NH1-OE1 3.27Å; R1057-E1148 IonicContact NH1-OE2 3.48Å; R1057-E1148 PolarHBondContact NH1-OE2 3.39Å; R1057-E1148 IonicContact NH2-OE1 3.29Å; R1057-E1148 PolarHBondContact NH2-OE1 3.27Å; R1057-E1148 IonicContact NH2-OE2 2.77Å; R1057-E1148 PolarHBondContact NH2-OE2 3.28Å |
| 1149 | L | 79.2 | Confident | 69 | Low | 63 Ų | 63 | 77.2 Ų | 77.2 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 137.1 | 176 | -67.6 | 174.4 | 0 | 0 | 0 | 110.8 | H994 A998 | H994-L1149 PolarHBondContact NE2-O 2.66Å; H994-L1149 VanDerWaalsContact NE2-O 3.12Å; A998-L1149 VanDerWaalsContact CB-O 3.25Å; A998-L1149 WeakPolarHBondContact CB-O 3.5Å |
| 1150 | K | 76.8 | Confident | 70.3 | Confident | 129 Ų | 129 | 72.1 Ų | 72.1 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -79.7 | -24.9 | 178.1 | -67.7 | 179.2 | -177.9 | 173.3 | 0 | 112.8 | L995 | L995-K1150 WeakPolarHBondContact CD2-O 3.3Š|
| 1151 | E | 72.9 | Confident | 71.5 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 32% | 0.322 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -112.6 | 130.9 | 175.4 | -61.5 | -151.5 | 105.6 | 0 | 0 | 110.5 | R913 P1153 T2406 | R913-E1151 IonicContact CZ-OE1 3.63Å; R913-E1151 IonicContact NH1-OE1 3.7Å; R913-E1151 PolarHBondContact NH1-OE1 2.94Å; R913-E1151 IonicContact NH2-OE1 2.7Å; R913-E1151 PolarHBondContact NH2-OE1 3.1Å; E1151-P1153 WeakPolarHBondContact O-CD 3.45Å; E1151-T2406 WeakPolarHBondContact OE2-CG2 3.17Å |
| 1152 | L | 78 | Confident | 72.8 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | trans | -80.8 | 114.2 | 179 | -170.9 | 61.5 | 0 | 0 | 0 | 109.1 | Q991 H994 I1154 | Q991-L1152 HydrophobicContact CG-CD2 4.15Å; H994-L1152 HydrophobicContact CB-CD2 4.29Å; L1152-I1154 HydrophobicContact CD1-CD1 4.06Å; L1152-I1154 HydrophobicContact CD1-CG1 4.41Å; L1152-I1154 HydrophobicContact CD2-CD1 3.72Å; L1152-I1154 HydrophobicContact CD2-CG1 4.38Å; L1152-I1154 HydrophobicContact CG-CB 4.41Å; L1152-I1154 HydrophobicContact CG-CD1 3.72Å; L1152-I1154 HydrophobicContact CG-CG1 3.91Å; L1152-I1154 PolarHBondContact O-N 3.32Å | ||
| 1153 | P | 67.4 | Low | 73.7 | Confident | 67 Ų | 67 | 63 Ų | 63 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | trans | -80 | 52.4 | -173.1 | 34.4 | -37.4 | 0 | 0 | 0 | 112.5 | E1151 | E1151-P1153 WeakPolarHBondContact O-CD 3.45Š| ||
| 1154 | I | 68.4 | Low | 73.9 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | trans | -110.2 | 118.4 | 178 | -63 | 176.7 | 0 | 0 | 0 | 108.5 | R1054 Y1130 L1152 | R1054-I1154 VanDerWaalsContact NH2-CD1 3.27Å; Y1130-I1154 HydrophobicContact CD1-CD1 3.84Å; Y1130-I1154 HydrophobicContact CD1-CG1 3.6Å; Y1130-I1154 HydrophobicContact CE1-CD1 3.41Å; Y1130-I1154 VanDerWaalsContact CE1-CD1 3.41Å; Y1130-I1154 HydrophobicContact CE1-CG1 3.73Å; Y1130-I1154 HydrophobicContact CG-CG1 4.36Å; L1152-I1154 HydrophobicContact CD1-CD1 4.06Å; L1152-I1154 HydrophobicContact CD1-CG1 4.41Å; L1152-I1154 HydrophobicContact CD2-CD1 3.72Å; L1152-I1154 HydrophobicContact CD2-CG1 4.38Å; L1152-I1154 HydrophobicContact CG-CB 4.41Å; L1152-I1154 HydrophobicContact CG-CD1 3.72Å; L1152-I1154 HydrophobicContact CG-CG1 3.91Å; L1152-I1154 PolarHBondContact O-N 3.32Å | ||
| 1155 | P | 70.5 | Confident | 73.1 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | trans | -66.2 | 146.5 | 175.7 | 29 | -34.8 | 0 | 0 | 0 | 110.8 | T1134 L1157 | T1134-P1155 HydrophobicContact CG2-CG 4.24Å; P1155-L1157 PolarHBondContact O-N 2.93Å | ||
| 1156 | L | 83.2 | Confident | 71.6 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | trans | -61.3 | 119.5 | 179.1 | -177.2 | 63 | 0 | 0 | 0 | 111 | V905 D906 F909 L984 L1158 | V905-L1156 HydrophobicContact CG1-CD2 4.19Å; D906-L1156 HydrophobicContact CB-CD2 3.98Å; D906-L1156 WeakPolarHBondContact OD1-CB 3.46Å; D906-L1156 VanDerWaalsContact OD1-CD2 3.27Å; D906-L1156 WeakPolarHBondContact OD1-CD2 3.43Å; F909-L1156 HydrophobicContact CB-CD2 4.04Å; F909-L1156 HydrophobicContact CD1-CD1 4.02Å; F909-L1156 HydrophobicContact CD1-CD2 4.34Å; F909-L1156 HydrophobicContact CD2-CD1 3.81Å; F909-L1156 HydrophobicContact CD2-CD2 4.44Å; F909-L1156 HydrophobicContact CE1-CD1 3.92Å; F909-L1156 HydrophobicContact CE2-CD1 3.69Å; F909-L1156 HydrophobicContact CG-CD1 3.97Å; F909-L1156 HydrophobicContact CG-CD2 4.05Å; F909-L1156 HydrophobicContact CZ-CD1 3.76Å; L984-L1156 HydrophobicContact CD2-CD1 3.93Å; L984-L1156 HydrophobicContact CD2-CG 4.46Å; L1156-L1158 HydrophobicContact CD2-CD2 4.42Å; L1156-L1158 PolarHBondContact O-N 3.22Å | ||
| 1157 | L | 83.3 | Confident | 70.3 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | trans | -91.1 | 100.6 | 177.5 | -59.8 | -178.9 | 0 | 0 | 0 | 109.4 | Q987 P1155 P1159 | Q987-L1157 PolarHBondContact NE2-O 2.99Å; P1155-L1157 PolarHBondContact O-N 2.93Å; L1157-P1159 WeakPolarHBondContact O-CD 3.4Å | ||
| 1158 | L | 83.3 | Confident | 69 | Low | 67 Ų | 67 | 58.2 Ų | 58.2 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | trans | -64.4 | 123.4 | 173.1 | -66.6 | 173.8 | 0 | 0 | 0 | 110.4 | L861 A902 V905 L1156 | L861-L1158 HydrophobicContact CD2-CD1 4.13Å; A902-L1158 HydrophobicContact CB-CD1 3.61Å; V905-L1158 HydrophobicContact CB-CD2 4.08Å; V905-L1158 HydrophobicContact CG1-CD2 3.48Å; V905-L1158 VanDerWaalsContact CG1-CD2 3.48Å; L1156-L1158 HydrophobicContact CD2-CD2 4.42Å; L1156-L1158 PolarHBondContact O-N 3.22Å | ||
| 1159 | P | 76.8 | Confident | 67.9 | Low | 36 Ų | 36 | 58.1 Ų | 58.1 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | trans | -57.2 | 148.7 | 176.9 | -28.5 | 38.6 | 0 | 0 | 0 | 113.1 | N981 A983 L984 L1157 D1161 | N981-P1159 HydrophobicContact CB-CG 4.28Å; A983-P1159 HydrophobicContact CB-CG 3.99Å; L984-P1159 HydrophobicContact CD2-CG 4.46Å; L984-P1159 HydrophobicContact CG-CG 4.09Å; L1157-P1159 WeakPolarHBondContact O-CD 3.4Å; P1159-D1161 WeakPolarHBondContact CB-O 3.2Å | ||
| 1160 | A | 67.8 | Low | 67 | Low | 68 Ų | 68 | 57.8 Ų | 57.8 | 56% | 0.562 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -72.4 | -37.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H862 | H862-A1160 PolarHBondContact CE1-O 3.05Å; H862-A1160 PolarHBondContact ND1-O 2.91Å |
| 1161 | D | 67.9 | Low | 66.7 | Low | 54 Ų | 54 | 52.2 Ų | 52.2 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -97.4 | 142.5 | -179.2 | -65 | -38.9 | 0 | 0 | 0 | 110.3 | N981 P1159 S1165 K2253 | N981-D1161 PolarHBondContact ND2-O 2.9Å; P1159-D1161 WeakPolarHBondContact CB-O 3.2Å; D1161-S1165 WeakPolarHBondContact CA-OG 3.38Å; D1161-S1165 WeakPolarHBondContact CB-OG 3.14Å; D1161-K2253 IonicContact OD1-NZ 2.87Å; D1161-K2253 IonicContact OD2-NZ 3.25Å; D1161-K2253 PolarHBondContact OD2-NZ 2.66Å |
| 1162 | G | 70.1 | Confident | 66.8 | Low | 11 Ų | 11 | 51.4 Ų | 51.4 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | trans | -79.9 | -166 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E859 H862 N981 V1164 S1165 | E859-G1162 WeakPolarHBondContact OE2-CA 3.4Å; H862-G1162 PolarHBondContact CD2-N 2.93Å; H862-G1162 PolarHBondContact CE1-N 2.83Å; H862-G1162 VanDerWaalsContact CG-N 3.26Å; H862-G1162 PolarHBondContact ND1-N 2.91Å; H862-G1162 PolarHBondContact NE2-N 2.82Å; N981-G1162 PolarHBondContact ND2-O 3.01Å; G1162-V1164 VanDerWaalsContact C-N 3.3Å; G1162-S1165 PolarHBondContact N-OG 3.31Å | ||
| 1163 | Y | 68 | Low | 66.8 | Low | 83 Ų | 83 | 50.7 Ų | 50.7 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -70.8 | -29 | 170.6 | -168 | -89.1 | 0 | 0 | 0 | 111.8 | L785 E859 R979 | L785-Y1163 HydrophobicContact CD1-CD1 4.44Å; E859-Y1163 PolarHBondContact OE2-N 2.77Å; R979-Y1163 VanDerWaalsContact C-CD2 3.44Å; R979-Y1163 HydrophobicContact CB-CD1 3.83Å; R979-Y1163 HydrophobicContact CB-CD2 3.85Å; R979-Y1163 HydrophobicContact CB-CE1 3.77Å; R979-Y1163 HydrophobicContact CB-CE2 3.78Å; R979-Y1163 HydrophobicContact CB-CG 3.86Å; R979-Y1163 HydrophobicContact CG-CD1 4.19Å; R979-Y1163 HydrophobicContact CG-CE1 3.68Å; R979-Y1163 HydrophobicContact CG-CE2 4.21Å; R979-Y1163 WeakPolarHBondContact O-CD2 3.41Å |
| 1164 | V | 58.4 | Low | 66.9 | Low | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -104.4 | 16 | -171.1 | -176.3 | 0 | 0 | 0 | 0 | 113.8 | L785 Y789 E859 G1162 D1166 L1169 | L785-V1164 HydrophobicContact CD1-CG2 4.5Å; Y789-V1164 WeakPolarHBondContact OH-CG1 3.49Å; Y789-V1164 WeakPolarHBondContact OH-CG2 3.48Å; E859-V1164 VanDerWaalsContact OE1-CB 3.28Å; E859-V1164 WeakPolarHBondContact OE1-CB 3.35Å; E859-V1164 VanDerWaalsContact OE1-CG2 3.23Å; E859-V1164 WeakPolarHBondContact OE1-CG2 3.43Å; E859-V1164 PolarHBondContact OE1-N 3.48Å; G1162-V1164 VanDerWaalsContact C-N 3.3Å; V1164-D1166 VanDerWaalsContact C-N 3.28Å; V1164-D1166 PolarHBondContact O-N 3.22Å; V1164-L1169 HydrophobicContact CG1-CB 3.75Å; V1164-L1169 HydrophobicContact CG1-CD1 4.35Å; V1164-L1169 HydrophobicContact CG2-CD1 3.72Å |
| 1165 | S | 50.3 | Low | 67.5 | Low | 28 Ų | 28 | 51 Ų | 51 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -70.6 | -15.3 | -179.4 | -54.9 | 0 | 0 | 0 | 0 | 115.5 | H862 D1161 G1162 | H862-S1165 PolarHBondContact CE1-OG 2.73Å; H862-S1165 VanDerWaalsContact CE1-OG 3.27Å; H862-S1165 PolarHBondContact NE2-OG 2.85Å; D1161-S1165 WeakPolarHBondContact CA-OG 3.38Å; D1161-S1165 WeakPolarHBondContact CB-OG 3.14Å; G1162-S1165 PolarHBondContact N-OG 3.31Å |
| 1166 | D | 43.4 | Very low | 68.3 | Low | 85 Ų | 85 | 48.9 Ų | 48.9 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -124.3 | 119.1 | 174.6 | -85.8 | -62.2 | 0 | 0 | 0 | 111.5 | V1164 V1168 Q2250 | V1164-D1166 VanDerWaalsContact C-N 3.28Å; V1164-D1166 PolarHBondContact O-N 3.22Å; D1166-V1168 VanDerWaalsContact C-N 3.26Å; D1166-V1168 WeakPolarHBondContact O-CG2 3.31Å; D1166-V1168 PolarHBondContact O-N 3.13Å; D1166-Q2250 PolarHBondContact OD1-NE2 2.85Å |
| 1167 | A | 47.6 | Very low | 68.4 | Low | 73 Ų | 73 | 49.6 Ų | 49.6 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 45 | -17.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||
| 1168 | V | 53.7 | Low | 68.4 | Low | 122 Ų | 122 | 49.4 Ų | 49.4 | 74% | 0.739 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -89 | -20.4 | -161.1 | 176.8 | 0 | 0 | 0 | 0 | 114 | D1166 | D1166-V1168 VanDerWaalsContact C-N 3.26Å; D1166-V1168 WeakPolarHBondContact O-CG2 3.31Å; D1166-V1168 PolarHBondContact O-N 3.13Å |
| 1169 | L | 59.6 | Low | 68.6 | Low | 26 Ų | 26 | 46.9 Ų | 46.9 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | trans | -126.4 | 88.2 | 176.1 | -77.9 | 166.8 | 0 | 0 | 0 | 110.4 | F783 V1164 P1173 | F783-L1169 HydrophobicContact CE2-CD1 4.01Å; F783-L1169 HydrophobicContact CE2-CD2 4.46Å; F783-L1169 HydrophobicContact CZ-CD1 4.38Å; V1164-L1169 HydrophobicContact CG1-CB 3.75Å; V1164-L1169 HydrophobicContact CG1-CD1 4.35Å; V1164-L1169 HydrophobicContact CG2-CD1 3.72Å; L1169-P1173 HydrophobicContact CD2-CB 4.05Å; L1169-P1173 HydrophobicContact CD2-CG 4.37Å | ||
| 1170 | S | 60.8 | Low | 69.2 | Low | 56 Ų | 56 | 45.1 Ų | 45.1 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -101.3 | 148.5 | 167.7 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | E1202 | S1170-E1202 CarbonylContact C-O 3.47Å; S1170-E1202 WeakPolarHBondContact CB-O 3.26Å |
| 1171 | G | 69.7 | Low | 70.2 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 72 | -156.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1202 W1206 | G1171-E1202 PolarHBondContact N-O 3.22Å; G1171-W1206 PolarHBondContact O-NE1 2.72Å |
| 1172 | I | 75.7 | Confident | 71 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -86.5 | 125.8 | -179.6 | -57.4 | 161.6 | 0 | 0 | 0 | 108.8 | P729 L730 D1174 L1177 K1193 | P729-I1172 HydrophobicContact CB-CG1 4.07Å; L730-I1172 HydrophobicContact CB-CG1 4.37Å; L730-I1172 HydrophobicContact CD1-CD1 3.79Å; L730-I1172 HydrophobicContact CD1-CG1 4.21Å; L730-I1172 HydrophobicContact CD1-CG2 4.41Å; I1172-D1174 PolarHBondContact O-N 3.12Å; I1172-L1177 HydrophobicContact CG2-CD1 4.08Å; I1172-L1177 HydrophobicContact CG2-CG 4.13Å; I1172-K1193 HydrophobicContact CD1-CB 4.07Å; I1172-K1193 HydrophobicContact CD1-CD 3.99Å; I1172-K1193 HydrophobicContact CD1-CG 3.85Å |
| 1173 | P | 76.5 | Confident | 71.9 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 132.4 | 179.5 | -21 | 31.8 | 0 | 0 | 0 | 113.6 | F783 Y789 L1169 G1175 L1176 | F783-P1173 HydrophobicContact CD2-CB 3.66Å; F783-P1173 HydrophobicContact CE1-CB 4.21Å; F783-P1173 HydrophobicContact CE1-CG 4.45Å; F783-P1173 HydrophobicContact CE2-CB 3.22Å; F783-P1173 HydrophobicContact CE2-CG 3.93Å; F783-P1173 HydrophobicContact CG-CB 4.34Å; F783-P1173 HydrophobicContact CZ-CB 3.56Å; F783-P1173 HydrophobicContact CZ-CG 3.78Å; Y789-P1173 HydrophobicContact CD1-CG 4.02Å; Y789-P1173 HydrophobicContact CE1-CG 3.77Å; L1169-P1173 HydrophobicContact CD2-CB 4.05Å; L1169-P1173 HydrophobicContact CD2-CG 4.37Å; P1173-G1175 PolarHBondContact O-N 2.88Å; P1173-L1176 HydrophobicContact CB-CB 4.3Å; P1173-L1176 HydrophobicContact CG-CD2 4.33Å; P1173-L1176 WeakPolarHBondContact O-CB 3.38Å; P1173-L1176 PolarHBondContact O-N 2.96Å; P1173-L1176 VanDerWaalsContact O-N 3.07Å |
| 1174 | D | 71.2 | Confident | 72.8 | Confident | 105 Ų | 105 | 46.3 Ų | 46.3 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 129.5 | 169.7 | -73.4 | -31.2 | 0 | 0 | 0 | 110.9 | R781 F783 I1172 | R781-D1174 IonicContact CZ-OD2 3.53Å; R781-D1174 IonicContact NH1-OD1 3.79Å; R781-D1174 IonicContact NH1-OD2 2.99Å; R781-D1174 PolarHBondContact NH1-OD2 3.18Å; F783-D1174 WeakPolarHBondContact CB-O 3.12Å; I1172-D1174 PolarHBondContact O-N 3.12Å |
| 1175 | G | 80.1 | Confident | 74.2 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -17.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R781 P1173 L1177 D1178 F1179 | R781-G1175 VanDerWaalsContact O-CA 3.23Å; R781-G1175 WeakPolarHBondContact O-CA 3.39Å; P1173-G1175 PolarHBondContact O-N 2.88Å; G1175-L1177 VanDerWaalsContact C-N 3.34Å; G1175-L1177 PolarHBondContact O-N 2.9Å; G1175-D1178 PolarHBondContact O-N 3.14Å; G1175-F1179 PolarHBondContact O-N 3.45Å |
| 1176 | L | 86.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 176.7 | -178.5 | 62.4 | 0 | 0 | 0 | 111.7 | L730 F783 Y789 L793 P1173 L1180 W1206 | L730-L1176 HydrophobicContact CD2-CD2 4.31Å; F783-L1176 HydrophobicContact CD1-CB 4.28Å; F783-L1176 HydrophobicContact CD1-CD1 4.35Å; F783-L1176 HydrophobicContact CE1-CD1 4.47Å; Y789-L1176 HydrophobicContact CD1-CD2 4.04Å; Y789-L1176 HydrophobicContact CG-CD2 4.47Å; L793-L1176 HydrophobicContact CD1-CD2 4.35Å; P1173-L1176 HydrophobicContact CB-CB 4.3Å; P1173-L1176 HydrophobicContact CG-CD2 4.33Å; P1173-L1176 WeakPolarHBondContact O-CB 3.38Å; P1173-L1176 PolarHBondContact O-N 2.96Å; P1173-L1176 VanDerWaalsContact O-N 3.07Å; L1176-L1180 HydrophobicContact CG-CD1 4.33Å; L1176-L1180 VanDerWaalsContact O-CG 3.31Å; L1176-L1180 WeakPolarHBondContact O-CG 3.43Å; L1176-L1180 PolarHBondContact O-N 3.01Å; L1176-L1180 VanDerWaalsContact O-N 3.07Å; L1176-W1206 HydrophobicContact CD2-CH2 4.04Å; L1176-W1206 HydrophobicContact CD2-CZ2 4.12Å |
| 1177 | L | 86.4 | Confident | 77.7 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.5 | -35.8 | 175.6 | -73 | 163.3 | 0 | 0 | 0 | 112.2 | L730 I1172 G1175 L1180 H1181 V1191 | L730-L1177 HydrophobicContact CD1-CD2 4.04Å; L730-L1177 HydrophobicContact CD2-CD2 4.32Å; I1172-L1177 HydrophobicContact CG2-CD1 4.08Å; I1172-L1177 HydrophobicContact CG2-CG 4.13Å; G1175-L1177 VanDerWaalsContact C-N 3.34Å; G1175-L1177 PolarHBondContact O-N 2.9Å; L1177-L1180 PolarHBondContact O-N 3.42Å; L1177-H1181 PolarHBondContact O-N 3.24Å; L1177-V1191 HydrophobicContact CD2-CG1 4.04Å |
| 1178 | D | 83.7 | Confident | 79.4 | Confident | 99 Ų | 99 | 53.1 Ų | 53.1 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 177.8 | -53.6 | -22.2 | 0 | 0 | 0 | 110.1 | G1175 L1180 H1181 | G1175-D1178 PolarHBondContact O-N 3.14Å; D1178-L1180 PolarHBondContact O-N 2.81Å; D1178-H1181 VanDerWaalsContact O-CB 3.29Å; D1178-H1181 WeakPolarHBondContact O-CB 3.43Å; D1178-H1181 PolarHBondContact O-N 3.21Å |
| 1179 | F | 87.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 173.3 | 175.7 | -97.2 | 0 | 0 | 0 | 113.6 | I756 C759 T760 S786 A790 G1175 H1181 P1182 | I756-F1179 HydrophobicContact CG2-CE1 4.45Å; I756-F1179 HydrophobicContact CG2-CZ 4.35Å; C759-F1179 HydrophobicContact CB-CE2 4.41Å; T760-F1179 HydrophobicContact CG2-CE2 3.62Å; T760-F1179 HydrophobicContact CG2-CZ 3.52Å; S786-F1179 VanDerWaalsContact CB-CG 3.41Å; S786-F1179 WeakPolarHBondContact OG-CD2 3.44Å; S786-F1179 WeakPolarHBondContact OG-CG 3.36Å; A790-F1179 HydrophobicContact CB-CD1 4.32Å; A790-F1179 HydrophobicContact CB-CE1 3.75Å; G1175-F1179 PolarHBondContact O-N 3.45Å; F1179-H1181 VanDerWaalsContact C-N 3.35Å; F1179-P1182 VanDerWaalsContact O-CD 3.31Å; F1179-P1182 WeakPolarHBondContact O-CD 3.46Å |
| 1180 | L | 89.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -79 | -17.1 | 175.9 | -67.6 | 173.8 | 0 | 0 | 0 | 112.9 | L730 I732 A790 L793 L1176 L1177 D1178 P1182 L1183 I1184 I1189 V1191 | L730-L1180 HydrophobicContact CD2-CD1 3.74Å; I732-L1180 HydrophobicContact CG2-CD1 4.5Å; A790-L1180 HydrophobicContact CB-CD2 3.97Å; L793-L1180 HydrophobicContact CD1-CD1 4.31Å; L1176-L1180 HydrophobicContact CG-CD1 4.33Å; L1176-L1180 VanDerWaalsContact O-CG 3.31Å; L1176-L1180 WeakPolarHBondContact O-CG 3.43Å; L1176-L1180 PolarHBondContact O-N 3.01Å; L1176-L1180 VanDerWaalsContact O-N 3.07Å; L1177-L1180 PolarHBondContact O-N 3.42Å; D1178-L1180 PolarHBondContact O-N 2.81Å; L1180-P1182 VanDerWaalsContact C-CD 3.46Å; L1180-L1183 HydrophobicContact CD2-CD1 4.23Å; L1180-L1183 PolarHBondContact O-N 3.06Å; L1180-I1184 HydrophobicContact CB-CD1 4.41Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.44Å; L1180-I1184 PolarHBondContact O-N 3.46Å; L1180-I1189 HydrophobicContact CB-CD1 4.4Å; L1180-I1189 HydrophobicContact CD2-CD1 3.91Å; L1180-V1191 HydrophobicContact CD1-CG2 4.43Å |
| 1181 | H | 88.2 | Confident | 83.8 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.5 | -38.3 | -175.2 | -167.2 | -61.9 | 0 | 0 | 0 | 114.8 | L1177 D1178 F1179 L1183 I1184 K1185 | L1177-H1181 PolarHBondContact O-N 3.24Å; D1178-H1181 VanDerWaalsContact O-CB 3.29Å; D1178-H1181 WeakPolarHBondContact O-CB 3.43Å; D1178-H1181 PolarHBondContact O-N 3.21Å; F1179-H1181 VanDerWaalsContact C-N 3.35Å; H1181-L1183 VanDerWaalsContact C-N 3.33Å; H1181-L1183 PolarHBondContact O-N 2.81Å; H1181-I1184 PolarHBondContact O-N 2.82Å; H1181-K1185 WeakPolarHBondContact O-CB 3.37Å; H1181-K1185 PolarHBondContact O-N 3.06Å |
| 1182 | P | 84.8 | Confident | 84.5 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 173.5 | -25 | 35.7 | 0 | 0 | 0 | 112.5 | F1179 L1180 K1185 T1186 | F1179-P1182 VanDerWaalsContact O-CD 3.31Å; F1179-P1182 WeakPolarHBondContact O-CD 3.46Å; L1180-P1182 VanDerWaalsContact C-CD 3.46Å; P1182-K1185 PolarHBondContact O-N 2.77Å; P1182-T1186 PolarHBondContact O-N 2.7Å; P1182-T1186 PolarHBondContact O-OG1 2.87Å |
| 1183 | L | 88.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.7 | -30.8 | -177.6 | -57 | 169.7 | 0 | 0 | 0 | 112.7 | L752 H755 I756 L1180 H1181 T1186 L1188 I1189 | L752-L1183 HydrophobicContact CD1-CD1 4.49Å; H755-L1183 HydrophobicContact CB-CD2 3.85Å; I756-L1183 HydrophobicContact CD1-CD1 4.49Å; I756-L1183 HydrophobicContact CG1-CD1 3.49Å; I756-L1183 VanDerWaalsContact CG1-CD1 3.49Å; L1180-L1183 HydrophobicContact CD2-CD1 4.23Å; L1180-L1183 PolarHBondContact O-N 3.06Å; H1181-L1183 VanDerWaalsContact C-N 3.33Å; H1181-L1183 PolarHBondContact O-N 2.81Å; L1183-T1186 WeakPolarHBondContact CA-OG1 3.36Å; L1183-T1186 PolarHBondContact O-OG1 2.68Å; L1183-L1188 HydrophobicContact CD2-CD1 4.1Å; L1183-L1188 PolarHBondContact O-N 2.79Å; L1183-L1188 VanDerWaalsContact O-N 3.16Å; L1183-I1189 HydrophobicContact CB-CD1 3.73Å; L1183-I1189 HydrophobicContact CB-CG1 3.75Å; L1183-I1189 HydrophobicContact CD1-CD1 4.25Å; L1183-I1189 PolarHBondContact O-N 3.37Å |
| 1184 | I | 88.3 | Confident | 84.3 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 32% | 0.323 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 168.6 | -60.3 | 167.8 | 0 | 0 | 0 | 109.5 | L1180 H1181 T1186 G1187 I1189 V1191 | L1180-I1184 HydrophobicContact CB-CD1 4.41Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.44Å; L1180-I1184 PolarHBondContact O-N 3.46Å; H1181-I1184 PolarHBondContact O-N 2.82Å; I1184-T1186 VanDerWaalsContact C-N 3.27Å; I1184-T1186 PolarHBondContact O-N 2.56Å; I1184-G1187 PolarHBondContact O-N 3.08Å; I1184-I1189 HydrophobicContact CG1-CD1 4.49Å; I1184-I1189 HydrophobicContact CG1-CG1 4.17Å; I1184-V1191 HydrophobicContact CD1-CB 3.97Å; I1184-V1191 HydrophobicContact CD1-CG2 3.62Å; I1184-V1191 HydrophobicContact CG1-CB 4.33Å; I1184-V1191 HydrophobicContact CG1-CG2 3.64Å |
| 1185 | K | 86.1 | Confident | 83.4 | Confident | 174 Ų | 174 | 59.3 Ų | 59.3 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.5 | -28.2 | -177.8 | -173.6 | 179.2 | 176.3 | -174.3 | 0 | 112.9 | H1181 P1182 G1187 | H1181-K1185 WeakPolarHBondContact O-CB 3.37Å; H1181-K1185 PolarHBondContact O-N 3.06Å; P1182-K1185 PolarHBondContact O-N 2.77Å; K1185-G1187 VanDerWaalsContact C-N 3.31Å |
| 1186 | T | 84.6 | Confident | 81.8 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 56% | 0.564 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.8 | 174 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | P1182 L1183 I1184 L1188 | P1182-T1186 PolarHBondContact O-N 2.7Å; P1182-T1186 PolarHBondContact O-OG1 2.87Å; L1183-T1186 WeakPolarHBondContact CA-OG1 3.36Å; L1183-T1186 PolarHBondContact O-OG1 2.68Å; I1184-T1186 VanDerWaalsContact C-N 3.27Å; I1184-T1186 PolarHBondContact O-N 2.56Å; T1186-L1188 PolarHBondContact O-N 3.23Å; T1186-L1188 WeakPolarHBondContact OG1-CD1 3.44Å; T1186-L1188 WeakPolarHBondContact OG1-CG 3.27Å |
| 1187 | G | 83 | Confident | 79.5 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 16.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | E735 I1184 K1185 | E735-G1187 WeakPolarHBondContact CB-O 3.42Å; I1184-G1187 PolarHBondContact O-N 3.08Å; K1185-G1187 VanDerWaalsContact C-N 3.31Å |
| 1188 | L | 83.1 | Confident | 77.1 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -79.6 | -36 | 178.3 | -66.3 | 173.6 | 0 | 0 | 0 | 111.6 | L752 H755 L1183 T1186 | L752-L1188 HydrophobicContact CD1-CB 4.46Å; H755-L1188 HydrophobicContact CB-CD1 3.9Å; L1183-L1188 HydrophobicContact CD2-CD1 4.1Å; L1183-L1188 PolarHBondContact O-N 2.79Å; L1183-L1188 VanDerWaalsContact O-N 3.16Å; T1186-L1188 PolarHBondContact O-N 3.23Å; T1186-L1188 WeakPolarHBondContact OG1-CD1 3.44Å; T1186-L1188 WeakPolarHBondContact OG1-CG 3.27Å |
| 1189 | I | 89.8 | Confident | 75.1 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131 | -179.5 | 58.6 | 174.3 | 0 | 0 | 0 | 113.3 | I732 L752 L1180 L1183 I1184 V1191 | I732-I1189 HydrophobicContact CB-CB 4.48Å; I732-I1189 HydrophobicContact CD1-CG2 4.24Å; I732-I1189 HydrophobicContact CG2-CD1 4.42Å; L752-I1189 HydrophobicContact CD1-CG2 3.64Å; L752-I1189 HydrophobicContact CD2-CG2 3.51Å; L752-I1189 HydrophobicContact CG-CG2 4.25Å; L1180-I1189 HydrophobicContact CB-CD1 4.4Å; L1180-I1189 HydrophobicContact CD2-CD1 3.91Å; L1183-I1189 HydrophobicContact CB-CD1 3.73Å; L1183-I1189 HydrophobicContact CB-CG1 3.75Å; L1183-I1189 HydrophobicContact CD1-CD1 4.25Å; L1183-I1189 PolarHBondContact O-N 3.37Å; I1184-I1189 HydrophobicContact CG1-CD1 4.49Å; I1184-I1189 HydrophobicContact CG1-CG1 4.17Å; I1189-V1191 HydrophobicContact CD1-CG2 3.98Å; I1189-V1191 HydrophobicContact CG1-CG2 4.25Å |
| 1190 | K | 88 | Confident | 73.2 | Confident | 114 Ų | 114 | 69.9 Ų | 69.9 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.9 | 161.1 | -157 | -176 | -149.5 | 79.3 | 0 | 108.9 | I732 E733 E735 | I732-K1190 WeakPolarHBondContact CA-O 3.01Å; E733-K1190 PolarHBondContact N-O 3.17Å; E733-K1190 PolarHBondContact O-N 3.01Å; E735-K1190 HydrophobicContact CG-CB 4.48Å; E735-K1190 IonicContact OE1-NZ 2.64Å; E735-K1190 PolarHBondContact OE1-NZ 3.19Å |
| 1191 | V | 88.3 | Confident | 71.2 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125 | 179.9 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | L730 I732 L1177 L1180 I1184 I1189 | L730-V1191 HydrophobicContact CD1-CG1 3.6Å; L730-V1191 HydrophobicContact CD2-CG1 4Å; L730-V1191 HydrophobicContact CG-CG1 3.89Å; I732-V1191 HydrophobicContact CG2-CG2 3.99Å; L1177-V1191 HydrophobicContact CD2-CG1 4.04Å; L1180-V1191 HydrophobicContact CD1-CG2 4.43Å; I1184-V1191 HydrophobicContact CD1-CB 3.97Å; I1184-V1191 HydrophobicContact CD1-CG2 3.62Å; I1184-V1191 HydrophobicContact CG1-CB 4.33Å; I1184-V1191 HydrophobicContact CG1-CG2 3.64Å; I1189-V1191 HydrophobicContact CD1-CG2 3.98Å; I1189-V1191 HydrophobicContact CG1-CG2 4.25Å |
| 1192 | K | 84.6 | Confident | 69 | Low | 102 Ų | 102 | 70.9 Ų | 70.9 | 44% | 0.443 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115 | -179.7 | -172.5 | 170.5 | -174.1 | 166.7 | 0 | 110.3 | S731 | S731-K1192 PolarHBondContact N-O 2.92Å; S731-K1192 PolarHBondContact O-N 3.05Å |
| 1193 | K | 80.1 | Confident | 67.3 | Low | 129 Ų | 129 | 73.1 Ų | 73.1 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.4 | 169.9 | -55.3 | -174.5 | -174.3 | -175 | 0 | 108.7 | L730 I1172 S1195 | L730-K1193 HydrophobicContact CD1-CB 4.47Å; L730-K1193 HydrophobicContact CD1-CG 3.82Å; I1172-K1193 HydrophobicContact CD1-CB 4.07Å; I1172-K1193 HydrophobicContact CD1-CD 3.99Å; I1172-K1193 HydrophobicContact CD1-CG 3.85Å; K1193-S1195 PolarHBondContact O-N 2.68Å |
| 1194 | H | 68 | Low | 65.5 | Low | 28 Ų | 28 | 76.8 Ų | 76.8 | 13% | 0.13 | 40% | 0.401 | C | S | . | . | trans | -91 | 93.8 | 179.7 | -69.6 | -76.8 | 0 | 0 | 0 | 110.3 | Q727 L728 P729 S731 | Q727-H1194 PolarHBondContact OE1-ND1 3.36Å; L728-H1194 PolarHBondContact O-CD2 3.4Å; P729-H1194 PolarHBondContact O-N 3.05Å; P729-H1194 VanDerWaalsContact O-N 3.11Å; S731-H1194 WeakPolarHBondContact CA-NE2 3.14Å; S731-H1194 WeakPolarHBondContact CB-NE2 3.1Å; S731-H1194 PolarHBondContact N-NE2 2.95Å; S731-H1194 PolarHBondContact OG-NE2 3.32Å | ||
| 1195 | S | 53.3 | Low | 64.1 | Low | 100 Ų | 100 | 74.8 Ų | 74.8 | 70% | 0.699 | 39% | 0.392 | S | S | * | . | trans | -71.5 | 148.2 | -178.8 | -169 | 0 | 0 | 0 | 0 | 112.5 | K1193 V1197 | K1193-S1195 PolarHBondContact O-N 2.68Å; S1195-V1197 PolarHBondContact O-N 3.3Å | ||
| 1196 | I | 46.6 | Very low | 62.8 | Low | 96 Ų | 96 | 66.5 Ų | 66.5 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | trans | -32.4 | 117.5 | -175.4 | -54.1 | 169.7 | 0 | 0 | 0 | 114.4 | E1202 | I1196-E1202 HydrophobicContact CG1-CG 4.33Š| ||
| 1197 | V | 37.1 | Very low | 61.3 | Low | 87 Ų | 87 | 63 Ų | 63 | 53% | 0.527 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -117.5 | 120 | 150.3 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | S1195 G1199 | S1195-V1197 PolarHBondContact O-N 3.3Å; V1197-G1199 VanDerWaalsContact C-N 3.3Å; V1197-G1199 PolarHBondContact O-N 2.68Å |
| 1198 | N | 37 | Very low | 59.8 | Low | 85 Ų | 85 | 65.8 Ų | 65.8 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 33.8 | 176 | -60.9 | 3.9 | 0 | 0 | 0 | 116.1 | Q1200 | N1198-Q1200 WeakPolarHBondContact O-CG 3.39Å; N1198-Q1200 PolarHBondContact O-N 2.88Å |
| 1199 | G | 40.9 | Very low | 58.2 | Low | 39 Ų | 39 | 64.3 Ų | 64.3 | 40% | 0.402 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 8.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117 | V1197 | V1197-G1199 VanDerWaalsContact C-N 3.3Å; V1197-G1199 PolarHBondContact O-N 2.68Å |
| 1200 | Q | 47.7 | Very low | 56.4 | Low | 80 Ų | 80 | 64.4 Ų | 64.4 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | trans | -91.7 | -25.7 | -169 | -81.8 | -93.8 | -34.1 | 0 | 0 | 114.7 | N1198 R1204 | N1198-Q1200 WeakPolarHBondContact O-CG 3.39Å; N1198-Q1200 PolarHBondContact O-N 2.88Å; Q1200-R1204 WeakPolarHBondContact O-CD 3.37Å; Q1200-R1204 VanDerWaalsContact O-CG 3.27Å; Q1200-R1204 WeakPolarHBondContact O-CG 3.33Å; Q1200-R1204 PolarHBondContact O-NE 3.32Å | ||
| 1201 | I | 47.5 | Very low | 54.4 | Low | 32 Ų | 32 | 66.3 Ų | 66.3 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -85.7 | -43.4 | -168.1 | -59.3 | 176.9 | 0 | 0 | 0 | 112.1 | P729 N1203 R1204 | P729-I1201 HydrophobicContact CG-CG2 4.44Å; I1201-N1203 PolarHBondContact O-N 2.74Å; I1201-N1203 VanDerWaalsContact O-N 3.16Å; I1201-R1204 PolarHBondContact O-N 2.83Å; I1201-R1204 VanDerWaalsContact O-N 3.14Å |
| 1202 | E | 42.2 | Very low | 51.7 | Low | 103 Ų | 103 | 66.4 Ų | 66.4 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.7 | -176.4 | -63.9 | -178.9 | 147.9 | 0 | 0 | 113.6 | S1170 G1171 I1196 | S1170-E1202 CarbonylContact C-O 3.47Å; S1170-E1202 WeakPolarHBondContact CB-O 3.26Å; G1171-E1202 PolarHBondContact N-O 3.22Å; I1196-E1202 HydrophobicContact CG1-CG 4.33Å |
| 1203 | N | 47.6 | Very low | 49.2 | Very low | 108 Ų | 108 | 66.5 Ų | 66.5 | 58% | 0.578 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.7 | 179.6 | -66.7 | -72.9 | 0 | 0 | 0 | 113.9 | I1201 | I1201-N1203 PolarHBondContact O-N 2.74Å; I1201-N1203 VanDerWaalsContact O-N 3.16Å |
| 1204 | R | 52.5 | Low | 46.6 | Very low | 79 Ų | 79 | 68.6 Ų | 68.6 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -86 | 128.7 | 176.6 | -80.8 | 169.9 | -177 | -131.5 | -0.2 | 110.4 | Q1200 I1201 | Q1200-R1204 WeakPolarHBondContact O-CD 3.37Å; Q1200-R1204 VanDerWaalsContact O-CG 3.27Å; Q1200-R1204 WeakPolarHBondContact O-CG 3.33Å; Q1200-R1204 PolarHBondContact O-NE 3.32Å; I1201-R1204 PolarHBondContact O-N 2.83Å; I1201-R1204 VanDerWaalsContact O-N 3.14Å |
| 1205 | P | 57.4 | Low | 44.7 | Very low | 21 Ų | 21 | 74 Ų | 74 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -59.6 | 147.1 | 164.8 | -21.9 | 33.4 | 0 | 0 | 0 | 110.8 | T1207 N1208 | P1205-T1207 PolarHBondContact O-N 3.31Å; P1205-N1208 PolarHBondContact O-N 3.29Å |
| 1206 | W | 59.9 | Low | 43.5 | Very low | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -54.6 | -39.5 | 179 | -85.7 | 56.8 | 0 | 0 | 0 | 112.7 | L728 Y789 L793 G1171 L1176 N1208 C1209 M1210 | L728-W1206 HydrophobicContact CD2-CE3 4.44Å; Y789-W1206 AromaticContact CD1-CD2 3.91Å; Y789-W1206 HydrophobicContact CD1-CD2 3.91Å; Y789-W1206 AromaticContact CD1-CE3 3.67Å; Y789-W1206 HydrophobicContact CD1-CE3 3.67Å; Y789-W1206 AromaticContact CD1-CH2 3.71Å; Y789-W1206 HydrophobicContact CD1-CH2 3.71Å; Y789-W1206 AromaticContact CD1-CZ2 3.93Å; Y789-W1206 HydrophobicContact CD1-CZ2 3.93Å; Y789-W1206 AromaticContact CD1-CZ3 3.56Å; Y789-W1206 HydrophobicContact CD1-CZ3 3.56Å; Y789-W1206 AromaticContact CE1-CD2 3.49Å; Y789-W1206 HydrophobicContact CE1-CD2 3.49Å; Y789-W1206 VanDerWaalsContact CE1-CD2 3.49Å; Y789-W1206 AromaticContact CE1-CE2 3.79Å; Y789-W1206 AromaticContact CE1-CE3 3.62Å; Y789-W1206 HydrophobicContact CE1-CE3 3.62Å; Y789-W1206 AromaticContact CE1-CG 3.92Å; Y789-W1206 HydrophobicContact CE1-CG 3.92Å; Y789-W1206 HydrophobicContact CE1-CH2 4.3Å; Y789-W1206 HydrophobicContact CE1-CZ2 4.2Å; Y789-W1206 HydrophobicContact CE1-CZ3 4.03Å; Y789-W1206 HydrophobicContact CG-CZ3 4.42Å; L793-W1206 HydrophobicContact CD1-CH2 4.14Å; L793-W1206 HydrophobicContact CD2-CH2 4.03Å; L793-W1206 HydrophobicContact CD2-CZ3 4.3Å; L793-W1206 HydrophobicContact CG-CH2 4.15Å; L793-W1206 HydrophobicContact CG-CZ3 4.3Å; G1171-W1206 PolarHBondContact O-NE1 2.72Å; L1176-W1206 HydrophobicContact CD2-CH2 4.04Å; L1176-W1206 HydrophobicContact CD2-CZ2 4.12Å; W1206-N1208 VanDerWaalsContact C-N 3.28Å; W1206-N1208 PolarHBondContact O-N 2.76Å; W1206-C1209 WeakPolarHBondContact O-CA 3.3Å; W1206-C1209 WeakPolarHBondContact O-CB 3.43Å; W1206-C1209 PolarHBondContact O-N 2.92Å; W1206-M1210 HydrophobicContact CB-CE 4.32Å; W1206-M1210 HydrophobicContact CE3-CE 4.3Å; W1206-M1210 WeakPolarHBondContact O-CG 3.19Å; W1206-M1210 PolarHBondContact O-N 3.09Å |
| 1207 | T | 51.8 | Low | 42.5 | Very low | 19 Ų | 19 | 79.1 Ų | 79.1 | 12% | 0.117 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.9 | -35 | 176.6 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | P1205 C1209 M1210 R1211 | P1205-T1207 PolarHBondContact O-N 3.31Å; T1207-C1209 VanDerWaalsContact C-N 3.27Å; T1207-C1209 PolarHBondContact O-N 3.47Å; T1207-M1210 PolarHBondContact O-N 2.99Å; T1207-R1211 PolarHBondContact O-N 3.45Å |
| 1208 | N | 51.4 | Low | 41.9 | Very low | 80 Ų | 80 | 81.6 Ų | 81.6 | 43% | 0.428 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74.5 | -16.1 | 175.3 | -73.5 | 1 | 0 | 0 | 0 | 113 | P1205 W1206 L1212 | P1205-N1208 PolarHBondContact O-N 3.29Å; W1206-N1208 VanDerWaalsContact C-N 3.28Å; W1206-N1208 PolarHBondContact O-N 2.76Å; N1208-L1212 WeakPolarHBondContact O-CD2 3.48Å |
| 1209 | C | 50.8 | Low | 41.5 | Very low | 13 Ų | 13 | 84.9 Ų | 84.9 | 9% | 0.088 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -88.3 | -12.7 | 171.5 | -59.3 | 0 | 0 | 0 | 0 | 113 | L728 W1206 T1207 | L728-C1209 HydrophobicContact CD2-CB 3.82Å; W1206-C1209 WeakPolarHBondContact O-CA 3.3Å; W1206-C1209 WeakPolarHBondContact O-CB 3.43Å; W1206-C1209 PolarHBondContact O-N 2.92Å; T1207-C1209 VanDerWaalsContact C-N 3.27Å; T1207-C1209 PolarHBondContact O-N 3.47Å |
| 1210 | M | 51.3 | Low | 40.8 | Very low | 3 Ų | 3 | 89.4 Ų | 89.4 | 2% | 0.015 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -88.8 | -26.9 | 174.6 | -50.1 | -170.9 | -175.8 | 0 | 0 | 112.8 | Y792 F863 W1206 T1207 | Y792-M1210 HydrophobicContact CD1-CE 3.8Å; Y792-M1210 HydrophobicContact CE1-CE 3.43Å; Y792-M1210 VanDerWaalsContact CE1-CE 3.43Å; Y792-M1210 HydrophobicContact CE1-CG 4.08Å; Y792-M1210 HydrophobicContact CE1-SD 3.92Å; Y792-M1210 HydrophobicContact CE2-SD 4.17Å; Y792-M1210 HydrophobicContact CG-CE 4.48Å; Y792-M1210 VanDerWaalsContact OH-CG 3.31Å; Y792-M1210 WeakPolarHBondContact OH-CG 3.19Å; F863-M1210 HydrophobicContact CB-CE 4.25Å; F863-M1210 HydrophobicContact CB-SD 3.87Å; F863-M1210 HydrophobicContact CD1-CE 3.36Å; F863-M1210 HydrophobicContact CD1-SD 3.56Å; F863-M1210 VanDerWaalsContact CD1-SD 3.56Å; F863-M1210 HydrophobicContact CD2-CE 4Å; F863-M1210 HydrophobicContact CE1-CE 3.51Å; F863-M1210 HydrophobicContact CE1-SD 4.24Å; F863-M1210 HydrophobicContact CE2-CE 4.11Å; F863-M1210 HydrophobicContact CG-CE 3.62Å; F863-M1210 HydrophobicContact CG-SD 3.81Å; F863-M1210 HydrophobicContact CZ-CE 3.86Å; W1206-M1210 HydrophobicContact CB-CE 4.32Å; W1206-M1210 HydrophobicContact CE3-CE 4.3Å; W1206-M1210 WeakPolarHBondContact O-CG 3.19Å; W1206-M1210 PolarHBondContact O-N 3.09Å; T1207-M1210 PolarHBondContact O-N 2.99Å |
| 1211 | R | 46.6 | Very low | 39.9 | Very low | 154 Ų | 154 | 93 Ų | 93 | 58% | 0.581 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -101.9 | 34.8 | -172.2 | -158.3 | -174.2 | -90.5 | 179 | -4.8 | 113.3 | N866 I868 T1207 | N866-R1211 PolarHBondContact OD1-NH2 3.38Å; I868-R1211 HydrophobicContact CD1-CG 4.41Å; T1207-R1211 PolarHBondContact O-N 3.45Å |
| 1212 | L | 32.2 | Very low | 38.8 | Very low | 36 Ų | 36 | 102.2 Ų | 102.2 | 19% | 0.188 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 124 | -176.6 | -64.9 | 173.2 | 0 | 0 | 0 | 112.5 | S725 I868 N1208 | S725-L1212 VanDerWaalsContact O-CD1 3.29Å; S725-L1212 WeakPolarHBondContact O-CD1 3.41Å; I868-L1212 WeakPolarHBondContact CD1-O 3.3Å; N1208-L1212 WeakPolarHBondContact O-CD2 3.48Å |
| 1213 | S | 30.7 | Very low | 38 | Very low | 104 Ų | 104 | 103.5 Ų | 103.5 | 73% | 0.727 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 56.4 | 179.6 | 76.8 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1214 | M | 26.3 | Very low | 36.9 | Very low | 174 Ų | 174 | 105.3 Ų | 105.3 | 86% | 0.857 | 51% | 0.511 | S | S | * | . | S | Bend | -67.8 | 136.1 | 124.3 | -99 | -70.2 | -179.9 | 0 | 0 | 107.9 | E1216 | M1214-E1216 PolarHBondContact O-N 2.93Š| |
| 1215 | H | 28.1 | Very low | 35.6 | Very low | 141 Ų | 141 | 104.7 Ų | 104.7 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | trans | -77.4 | 88.8 | -179.9 | -135.5 | -17.8 | 0 | 0 | 0 | 110.4 | ||||
| 1216 | E | 27.9 | Very low | 34 | Very low | 165 Ų | 165 | 104.8 Ų | 104.8 | 77% | 0.771 | 51% | 0.513 | S | S | * | . | trans | -66.9 | 129.4 | 141.8 | -71.5 | 178.4 | 171 | 0 | 0 | 107.2 | M1214 E1218 | M1214-E1216 PolarHBondContact O-N 2.93Å; E1216-E1218 VanDerWaalsContact C-N 3.32Å; E1216-E1218 PolarHBondContact O-N 3.13Å | ||
| 1217 | N | 24.9 | Very low | 32.3 | Very low | 138 Ų | 138 | 110.6 Ų | 110.6 | 74% | 0.738 | 54% | 0.543 | S | S | * | . | trans | -84.3 | 68.8 | -170.8 | -82.9 | -22.4 | 0 | 0 | 0 | 112 | H1219 | N1217-H1219 PolarHBondContact O-N 3.21Š| ||
| 1218 | E | 26 | Very low | 30.9 | Very low | 139 Ų | 139 | 115 Ų | 115 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | trans | -85.3 | 78.6 | 164.8 | -71.5 | -110.2 | 131.8 | 0 | 0 | 110.3 | E1216 K2238 | E1216-E1218 VanDerWaalsContact C-N 3.32Å; E1216-E1218 PolarHBondContact O-N 3.13Å; E1218-K2238 IonicContact OE1-NZ 3.92Å; E1218-K2238 PolarHBondContact OE1-NZ 3.27Å; E1218-K2238 IonicContact OE2-NZ 2.82Å; E1218-K2238 PolarHBondContact OE2-NZ 2.96Å | ||
| 1219 | H | 26.8 | Very low | 29.8 | Very low | 155 Ų | 155 | 118.2 Ų | 118.2 | 72% | 0.718 | 58% | 0.575 | S | S | * | * | trans | -93.4 | 112 | 163.2 | -114.8 | 68.4 | 0 | 0 | 0 | 109.8 | N1217 | N1217-H1219 PolarHBondContact O-N 3.21Š| ||
| 1220 | N | 26.8 | Very low | 28.6 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 71% | 0.711 | 61% | 0.612 | S | S | * | * | trans | 56.2 | 105.3 | 171.7 | -60.6 | -38.4 | 0 | 0 | 0 | 117 | ||||
| 1221 | N | 28.6 | Very low | 27.4 | Very low | 155 Ų | 155 | 128 Ų | 128 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | -150.8 | 146.5 | 83.3 | -136.7 | -22 | 0 | 0 | 0 | 113.7 | |||||
| 1222 | R | 24.2 | Very low | 26.5 | Very low | 227 Ų | 227 | 128.6 Ų | 128.6 | 86% | 0.857 | 65% | 0.647 | S | S | * | * | trans | -88.3 | 116.9 | 173 | -72.7 | 176.5 | 176.1 | 152.4 | -1.6 | 109.2 | ||||
| 1223 | N | 26.2 | Very low | 26.1 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | trans | -153.5 | 151.8 | 139 | -101.8 | -46.3 | 0 | 0 | 0 | 111 | N2231 | N1223-N2231 HydrophobicContact CB-CB 4.14Å; N1223-N2231 WeakPolarHBondContact CB-ND2 3.36Å; N1223-N2231 PolarHBondContact ND2-ND2 3.16Å; N1223-N2231 VanDerWaalsContact ND2-ND2 3.13Å | ||
| 1224 | Q | 24.7 | Very low | 26 | Very low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | trans | -96.7 | 162.4 | -173 | -66 | 177.2 | -13.6 | 0 | 0 | 111.8 | S1226 | Q1224-S1226 PolarHBondContact O-N 3.02Š| ||
| 1225 | H | 24.2 | Very low | 25.9 | Very low | 66 Ų | 66 | 126.9 Ų | 126.9 | 31% | 0.306 | 63% | 0.634 | S | S | . | * | trans | -24.6 | 121 | 158.9 | -68.2 | -83.4 | 0 | 0 | 0 | 114.1 | D2232 W2235 | H1225-D2232 VanDerWaalsContact CA-OD1 3.23Å; H1225-D2232 WeakPolarHBondContact CA-OD1 3.43Å; H1225-D2232 IonicContact ND1-OD1 3.12Å; H1225-W2235 AromaticContact CE1-CD2 3.45Å; H1225-W2235 VanDerWaalsContact CE1-CD2 3.45Å; H1225-W2235 AromaticContact CE1-CE2 3.28Å; H1225-W2235 AromaticContact CE1-CE3 3.71Å; H1225-W2235 AromaticContact CE1-CH2 3.73Å; H1225-W2235 AromaticContact CE1-CZ2 3.46Å; H1225-W2235 VanDerWaalsContact CE1-CZ2 3.46Å; H1225-W2235 WeakPolarHBondContact CE1-CZ2 3.27Å; H1225-W2235 AromaticContact CE1-CZ3 3.85Å; H1225-W2235 AromaticContact CE1-NE1 3.74Å; H1225-W2235 AromaticContact ND1-CD2 3.64Å; H1225-W2235 AromaticContact ND1-CE2 3.97Å; H1225-W2235 AromaticContact ND1-CE3 3.65Å | ||
| 1226 | S | 23.8 | Very low | 25.9 | Very low | 24 Ų | 24 | 126.8 Ų | 126.8 | 17% | 0.168 | 63% | 0.634 | C | S | . | * | trans | -173.3 | 121.8 | 150.7 | 37.9 | 0 | 0 | 0 | 0 | 114.6 | Q1224 H2229 D2232 | Q1224-S1226 PolarHBondContact O-N 3.02Å; S1226-H2229 WeakPolarHBondContact CB-ND1 3.43Å; S1226-H2229 PolarHBondContact OG-ND1 2.78Å; S1226-D2232 VanDerWaalsContact C-CB 3.44Å; S1226-D2232 VanDerWaalsContact C-OD2 3.26Å; S1226-D2232 PolarHBondContact N-OD1 3.26Å; S1226-D2232 VanDerWaalsContact N-OD1 3.08Å; S1226-D2232 VanDerWaalsContact O-CB 3.26Å; S1226-D2232 WeakPolarHBondContact O-CB 3.29Å; S1226-D2232 PolarHBondContact O-N 3.24Å | ||
| 1227 | I | 24.4 | Very low | 25.8 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | trans | -57.2 | 131.1 | -156.1 | -56.7 | 156.4 | 0 | 0 | 0 | 114.4 | K1229 D2232 | I1227-K1229 VanDerWaalsContact C-N 3.28Å; I1227-K1229 HydrophobicContact CB-CG 4.48Å; I1227-K1229 HydrophobicContact CG2-CG 4.2Å; I1227-K1229 PolarHBondContact O-N 3.37Å; I1227-D2232 WeakPolarHBondContact CA-OD2 3.42Å; I1227-D2232 VanDerWaalsContact CG1-OD2 3.27Å; I1227-D2232 WeakPolarHBondContact CG1-OD2 3.43Å; I1227-D2232 PolarHBondContact N-OD2 2.85Å | ||
| 1228 | L | 23.5 | Very low | 25.8 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 58% | 0.581 | 64% | 0.635 | S | S | * | * | trans | -76.3 | 87.2 | 160.9 | -141.5 | -175.8 | 0 | 0 | 0 | 109.4 | Q2233 | L1228-Q2233 HydrophobicContact CB-CG 4.46Å; L1228-Q2233 HydrophobicContact CD1-CG 4Å | ||
| 1229 | K | 27.3 | Very low | 25.8 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | trans | -66.1 | 146.1 | 172.3 | -61.2 | 172.1 | 179.6 | 175 | 0 | 110.7 | I1227 S1231 | I1227-K1229 VanDerWaalsContact C-N 3.28Å; I1227-K1229 HydrophobicContact CB-CG 4.48Å; I1227-K1229 HydrophobicContact CG2-CG 4.2Å; I1227-K1229 PolarHBondContact O-N 3.37Å; K1229-S1231 WeakPolarHBondContact CB-OG 3.35Å | ||
| 1230 | V | 26.6 | Very low | 25.7 | Very low | 143 Ų | 143 | 131 Ų | 131 | 87% | 0.867 | 64% | 0.639 | S | S | * | * | trans | -121.9 | 91.1 | 148.7 | -176.6 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 1231 | S | 26.3 | Very low | 25.8 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | cis | 59.9 | 101.5 | 46.4 | -61.2 | 0 | 0 | 0 | 0 | 113.4 | K1229 | K1229-S1231 WeakPolarHBondContact CB-OG 3.35Š| ||
| 1232 | Q | 26.4 | Very low | 25.8 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 77% | 0.771 | 63% | 0.628 | S | S | * | * | trans | -167.7 | 148.5 | 135.1 | -95.8 | -173.4 | 18.3 | 0 | 0 | 106.2 | ||||
| 1233 | N | 25.4 | Very low | 26.1 | Very low | 73 Ų | 73 | 124 Ų | 124 | 39% | 0.39 | 62% | 0.619 | S | S | . | * | cis | -158.1 | 146.7 | 3.9 | -125.7 | -22.9 | 0 | 0 | 0 | 112.9 | L1741 | N1233-L1741 WeakPolarHBondContact O-CD1 3.37Å; N1233-L1741 WeakPolarHBondContact O-CD2 3.49Å | ||
| 1234 | Q | 26.7 | Very low | 26.1 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | trans | 66.4 | 118.2 | 142.8 | -70.2 | 167.3 | 35.3 | 0 | 0 | 124.3 | K1742 | Q1234-K1742 WeakPolarHBondContact O-CE 3.42Å; Q1234-K1742 PolarHBondContact O-NZ 3.22Å | ||
| 1235 | S | 25 | Very low | 26.2 | Very low | 67 Ų | 67 | 122.8 Ų | 122.8 | 47% | 0.469 | 62% | 0.622 | S | S | . | * | 89.4 | 151.6 | 121.8 | 93.3 | 0 | 0 | 0 | 0 | 120 | K1742 | S1235-K1742 WeakPolarHBondContact O-CE 3.29Å; S1235-K1742 PolarHBondContact O-NZ 2.85Å; S1235-K1742 PolarHBondContact OG-NZ 3.19Å | |||
| 1236 | H | 28.2 | Very low | 26.2 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | cis | -151.5 | 141.3 | 14.1 | -113.3 | -40 | 0 | 0 | 0 | 113.2 | ||||
| 1237 | R | 25 | Very low | 26.4 | Very low | 214 Ų | 214 | 132.1 Ų | 132.1 | 81% | 0.808 | 66% | 0.663 | S | S | * | * | trans | 60.5 | 166.5 | 142.4 | -71.6 | 170.7 | 175.1 | 163.1 | -3.3 | 117.4 | ||||
| 1238 | N | 24.9 | Very low | 26.6 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 72% | 0.717 | 67% | 0.667 | S | S | * | * | cis | -133.7 | -99.6 | 14.5 | -161.8 | 18.4 | 0 | 0 | 0 | 116.7 | ||||
| 1239 | R | 26.1 | Very low | 26.7 | Very low | 217 Ų | 217 | 133.9 Ų | 133.9 | 82% | 0.819 | 67% | 0.674 | S | S | * | * | trans | -167.5 | 165.8 | -153 | -92.1 | -167.7 | 166.9 | -173.6 | -3.7 | 111.5 | ||||
| 1240 | N | 26.5 | Very low | 26.8 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 65% | 0.647 | 69% | 0.686 | S | S | * | * | cis | -177.6 | 175.5 | -29.3 | -125.9 | 82.9 | 0 | 0 | 0 | 109.7 | ||||
| 1241 | N | 28.2 | Very low | 26.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | trans | 74.1 | 154.6 | 152.5 | -70.5 | 16.2 | 0 | 0 | 0 | 118.8 | ||||
| 1242 | N | 28.7 | Very low | 26.7 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | cis | -164.2 | 172.8 | -2 | -121 | 19.6 | 0 | 0 | 0 | 114.8 | ||||
| 1243 | N | 29.3 | Very low | 26.7 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 66% | 0.658 | 68% | 0.68 | S | S | * | * | trans | 73.8 | 152.8 | 154.3 | -62.1 | -6.3 | 0 | 0 | 0 | 119.8 | ||||
| 1244 | N | 26.7 | Very low | 26.6 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | cis | -169 | 151.2 | -23.4 | -104.7 | -12.8 | 0 | 0 | 0 | 113.5 | ||||
| 1245 | T | 28.1 | Very low | 26.7 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | trans | 58.6 | 167.5 | 148.8 | 54 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1246 | Q | 24.3 | Very low | 26.9 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | cis | -175.8 | 161.4 | -44 | -159.2 | -169.8 | 64.5 | 0 | 0 | 110.2 | ||||
| 1247 | Q | 26.1 | Very low | 27 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | trans | 77.4 | 159.5 | 165.1 | -44.4 | -172.4 | 11.2 | 0 | 0 | 116.5 | ||||
| 1248 | K | 28.7 | Very low | 27.2 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | cis | -160.1 | 144.4 | 9.8 | -147.6 | 161.1 | -168.2 | 146.3 | 0 | 114.2 | ||||
| 1249 | S | 27.3 | Very low | 27.6 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | 61.1 | 157.7 | 149.2 | 57.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1250 | K | 28.3 | Very low | 27.7 | Very low | 203 Ų | 203 | 136 Ų | 136 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | cis | -148.5 | 179 | 1.8 | -136.5 | 173.4 | -177.9 | -172.7 | 0 | 111.6 | ||||
| 1251 | Q | 23.2 | Very low | 27.8 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | trans | -128.6 | -171.8 | -174 | -156.6 | 176.4 | -76.2 | 0 | 0 | 110.7 | ||||
| 1252 | D | 27.5 | Very low | 27.8 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | 82.4 | 144.6 | 160.8 | -44.8 | -38.8 | 0 | 0 | 0 | 116.4 | ||||
| 1253 | T | 27.3 | Very low | 27.8 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | cis | -167.3 | 153 | -7.8 | 17.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1254 | L | 24 | Very low | 27.8 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | trans | 55.8 | 141.3 | 147.7 | -61.7 | 162.1 | 0 | 0 | 0 | 121 | ||||
| 1255 | D | 27.6 | Very low | 27.8 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | cis | -147 | -115.8 | -27.8 | -150.2 | 70.2 | 0 | 0 | 0 | 109.8 | ||||
| 1256 | T | 30.3 | Very low | 27.7 | Very low | 106 Ų | 106 | 134 Ų | 134 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | cis | -161 | 140.9 | -7.1 | -28.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1257 | N | 28.9 | Very low | 27.8 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | trans | 62.7 | 147.1 | 170.5 | -61.7 | -43.1 | 0 | 0 | 0 | 117.6 | ||||
| 1258 | H | 30 | Very low | 27.9 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 81% | 0.81 | 68% | 0.684 | S | S | * | * | cis | -131.5 | 169.6 | 10.5 | -122.8 | -6.1 | 0 | 0 | 0 | 111 | ||||
| 1259 | P | 33.4 | Very low | 27.7 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | trans | -100.7 | -162.3 | -147.9 | 46.3 | -45.4 | 0 | 0 | 0 | 114.6 | ||||
| 1260 | Q | 28.5 | Very low | 27.6 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | cis | -161.8 | 146.1 | 24.8 | -129.9 | -153.9 | 110 | 0 | 0 | 114.4 | ||||
| 1261 | N | 28.9 | Very low | 27.5 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | 39.1 | 168.3 | 128.6 | -64.2 | -0.9 | 0 | 0 | 0 | 123.8 | |||||
| 1262 | N | 26.7 | Very low | 27.6 | Very low | 134 Ų | 134 | 117.1 Ų | 117.1 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | cis | 179.1 | 168.2 | -43.8 | -92 | -16 | 0 | 0 | 0 | 109.1 | ||||
| 1263 | H | 29.7 | Very low | 27.5 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 47% | 0.472 | 66% | 0.663 | S | S | . | * | cis | -171.3 | 147.1 | -39.9 | -177 | 53.5 | 0 | 0 | 0 | 110.1 | I2206 | H1263-I2206 HydrophobicContact CB-CD1 3.84Å; H1263-I2206 VanDerWaalsContact CD2-CD1 3.47Å; H1263-I2206 WeakPolarHBondContact CD2-CD1 3.23Å; H1263-I2206 WeakPolarHBondContact O-CD1 3.26Å | ||
| 1264 | Q | 27.9 | Very low | 27.4 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 52% | 0.523 | 66% | 0.661 | S | S | . | * | trans | 59.9 | -160.5 | 177 | -57.9 | -172.5 | 36.5 | 0 | 0 | 118.9 | I2206 | Q1264-I2206 HydrophobicContact CB-CD1 3.97Å; Q1264-I2206 HydrophobicContact CB-CG1 4.08Å; Q1264-I2206 HydrophobicContact CB-CG2 3.91Å; Q1264-I2206 HydrophobicContact CG-CD1 4.13Å; Q1264-I2206 HydrophobicContact CG-CG2 4.09Å | ||
| 1265 | S | 28.5 | Very low | 27.6 | Very low | 78 Ų | 78 | 115.9 Ų | 115.9 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | -131 | 177.3 | -129.9 | 76.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1266 | L | 25 | Very low | 27.7 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 80% | 0.801 | 66% | 0.655 | S | S | * | * | trans | 64.7 | 99.5 | 171.8 | -74.8 | 164.9 | 0 | 0 | 0 | 117.7 | ||||
| 1267 | T | 26.3 | Very low | 27.5 | Very low | 92 Ų | 92 | 114.7 Ų | 114.7 | 56% | 0.564 | 65% | 0.651 | S | S | * | * | 169 | 149.8 | 129.9 | 31 | 0 | 0 | 0 | 0 | 112 | N2203 Y2204 | T1267-N2203 VanDerWaalsContact OG1-C 3.3Å; T1267-N2203 PolarHBondContact OG1-N 3.5Å; T1267-N2203 VanDerWaalsContact OG1-N 3.1Å; T1267-Y2204 PolarHBondContact OG1-N 2.92Å | |||
| 1268 | N | 27.9 | Very low | 27.5 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | trans | 35.3 | 97.6 | 158.1 | -65.4 | 2.1 | 0 | 0 | 0 | 120 | R2202 | N1268-R2202 PolarHBondContact O-N 2.9Š| ||
| 1269 | S | 24.8 | Very low | 27.4 | Very low | 85 Ų | 85 | 110.6 Ų | 110.6 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | trans | -32 | 161.4 | 147.4 | 50.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1270 | N | 24.7 | Very low | 26.9 | Very low | 109 Ų | 109 | 109 Ų | 109 | 58% | 0.583 | 64% | 0.635 | S | S | * | * | trans | 73.3 | 131.6 | 165.4 | -50.9 | -25.1 | 0 | 0 | 0 | 115.9 | T2201 | N1270-T2201 PolarHBondContact O-N 2.91Š| ||
| 1271 | G | 26.1 | Very low | 26.8 | Very low | 61 Ų | 61 | 107.2 Ų | 107.2 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | cis | -145.9 | 163.8 | -5.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1272 | S | 25.3 | Very low | 26.6 | Very low | 112 Ų | 112 | 107.6 Ų | 107.6 | 78% | 0.783 | 64% | 0.642 | S | S | * | * | 73.6 | 158.3 | 57.5 | -163.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1273 | L | 25.9 | Very low | 26.5 | Very low | 134 Ų | 134 | 107.1 Ų | 107.1 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | trans | 72.1 | 148 | 178 | -47 | 174.7 | 0 | 0 | 0 | 114.2 | ||||
| 1274 | N | 26.4 | Very low | 26.2 | Very low | 118 Ų | 118 | 107.8 Ų | 107.8 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | cis | -125.2 | 167.4 | -0.1 | -87.1 | -66.2 | 0 | 0 | 0 | 109.4 | ||||
| 1275 | S | 28 | Very low | 25.9 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | S | Bend | cis | -143.5 | 159 | 25.9 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1276 | T | 29.6 | Very low | 25.8 | Very low | 111 Ų | 111 | 108.9 Ų | 108.9 | 68% | 0.681 | 68% | 0.681 | S | S | * | * | cis | -158.3 | 127.7 | -6.8 | 16.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1277 | N | 26 | Very low | 25.8 | Very low | 108 Ų | 108 | 105.7 Ų | 105.7 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | 73.5 | 141.1 | 89.3 | -65.9 | -11.9 | 0 | 0 | 0 | 114.1 | |||||
| 1278 | T | 28.2 | Very low | 25.7 | Very low | 113 Ų | 113 | 105.4 Ų | 105.4 | 69% | 0.693 | 67% | 0.669 | S | S | * | * | cis | -166.4 | 159.1 | 12.2 | 0.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1279 | T | 28.7 | Very low | 25.5 | Very low | 119 Ų | 119 | 101.5 Ų | 101.5 | 73% | 0.73 | 65% | 0.648 | S | S | * | * | trans | 53.6 | 136.3 | 154.7 | 52.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1280 | S | 22.8 | Very low | 25.6 | Very low | 66 Ų | 66 | 99 Ų | 99 | 46% | 0.462 | 63% | 0.631 | S | S | . | * | cis | 78.4 | 149.3 | 35.6 | 88.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1281 | T | 25.4 | Very low | 25.5 | Very low | 114 Ų | 114 | 96.8 Ų | 96.8 | 70% | 0.699 | 62% | 0.624 | S | S | * | * | cis | -160.3 | 170.5 | 16.8 | -23.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1282 | T | 23.8 | Very low | 25.4 | Very low | 124 Ų | 124 | 96.4 Ų | 96.4 | 76% | 0.761 | 62% | 0.62 | S | S | * | * | trans | 76.8 | 149.1 | 153.4 | 31.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1283 | T | 25.2 | Very low | 25.3 | Very low | 123 Ų | 123 | 96.1 Ų | 96.1 | 76% | 0.755 | 62% | 0.618 | S | S | * | * | trans | 79 | 117.9 | 155.2 | 36 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1284 | T | 22.9 | Very low | 25.2 | Very low | 116 Ų | 116 | 96.8 Ų | 96.8 | 71% | 0.712 | 62% | 0.617 | S | S | * | * | trans | 64.3 | 115.4 | 140 | 52.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1285 | T | 22.9 | Very low | 25 | Very low | 140 Ų | 140 | 98.7 Ų | 98.7 | 86% | 0.859 | 62% | 0.62 | S | S | * | * | trans | 67.6 | 138.9 | 137.2 | 57.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1286 | G | 26 | Very low | 24.8 | Very low | 73 Ų | 73 | 101 Ų | 101 | 75% | 0.753 | 62% | 0.617 | S | S | * | * | trans | 100.3 | 109.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1287 | S | 23.9 | Very low | 24.4 | Very low | 87 Ų | 87 | 101.2 Ų | 101.2 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | cis | 84.7 | 152.1 | 46.4 | -161.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1288 | V | 25.5 | Very low | 24.2 | Very low | 86 Ų | 86 | 104.1 Ų | 104.1 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | trans | 71.4 | 129.5 | 171.8 | -166.8 | 0 | 0 | 0 | 0 | 117.4 | I1319 | V1288-I1319 HydrophobicContact CB-CD1 4.45Å; V1288-I1319 HydrophobicContact CG1-CD1 3.99Å; V1288-I1319 HydrophobicContact CG1-CG1 4.24Å; V1288-I1319 HydrophobicContact CG2-CD1 3.7Å; V1288-I1319 HydrophobicContact CG2-CG1 4.05Å | ||
| 1289 | D | 24 | Very low | 24 | Very low | 26 Ų | 26 | 103 Ų | 103 | 14% | 0.139 | 62% | 0.615 | C | S | . | * | cis | -160.1 | -167.5 | -33 | -146.6 | 30.2 | 0 | 0 | 0 | 111.3 | K1317 S1318 I1319 K1320 | D1289-K1317 HydrophobicContact CB-CB 4.3Å; D1289-K1317 HydrophobicContact CB-CD 4.41Å; D1289-K1317 WeakPolarHBondContact O-CD 3.44Å; D1289-K1317 WeakPolarHBondContact O-CE 3.43Å; D1289-K1317 PolarHBondContact O-NZ 3.04Å; D1289-S1318 WeakPolarHBondContact OD2-CA 3.36Å; D1289-S1318 VanDerWaalsContact OD2-O 3.14Å; D1289-I1319 HydrophobicContact CB-CG1 4.26Å; D1289-I1319 WeakPolarHBondContact OD2-CA 3.45Å; D1289-I1319 PolarHBondContact OD2-N 3.48Å; D1289-K1320 WeakPolarHBondContact OD1-CB 3.33Å; D1289-K1320 WeakPolarHBondContact OD1-CD 3.43Å; D1289-K1320 WeakPolarHBondContact OD1-CE 3.37Å; D1289-K1320 WeakPolarHBondContact OD1-CG 3.37Å; D1289-K1320 IonicContact OD1-NZ 2.81Å; D1289-K1320 PolarHBondContact OD1-NZ 3.12Å | ||
| 1290 | S | 26.2 | Very low | 23.8 | Very low | 32 Ų | 32 | 102.3 Ų | 102.3 | 22% | 0.224 | 61% | 0.611 | C | S | . | * | cis | -175.3 | -157.4 | 24.5 | -149.1 | 0 | 0 | 0 | 0 | 116.7 | K1317 S1318 | S1290-K1317 VanDerWaalsContact CB-CB 3.47Å; S1290-K1317 WeakPolarHBondContact OG-CA 3.38Å; S1290-S1318 PolarHBondContact OG-N 2.93Å; S1290-S1318 PolarHBondContact OG-O 3.44Å; S1290-S1318 VanDerWaalsContact OG-O 3.08Å | ||
| 1291 | S | 23.1 | Very low | 24 | Very low | 63 Ų | 63 | 108.4 Ų | 108.4 | 44% | 0.441 | 63% | 0.632 | S | S | . | * | trans | -57.6 | 163.2 | 168.9 | 55.8 | 0 | 0 | 0 | 0 | 116.5 | Q1316 | S1291-Q1316 WeakPolarHBondContact O-CG 3.23Å; S1291-Q1316 PolarHBondContact O-NE2 3.09Å; S1291-Q1316 PolarHBondContact O-OE1 3.24Å | ||
| 1292 | G | 24.1 | Very low | 24 | Very low | 54 Ų | 54 | 108.6 Ų | 108.6 | 56% | 0.557 | 63% | 0.633 | S | S | * | * | cis | -173 | 159.9 | 3.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1293 | S | 22.7 | Very low | 24.1 | Very low | 105 Ų | 105 | 107.9 Ų | 107.9 | 73% | 0.734 | 63% | 0.628 | S | S | * | * | 63.8 | 132 | 90.3 | 71.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1294 | H | 24.1 | Very low | 24.1 | Very low | 148 Ų | 148 | 108.6 Ų | 108.6 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | cis | -162.7 | 156 | 21.1 | -129.1 | -50.2 | 0 | 0 | 0 | 113.8 | ||||
| 1295 | F | 22 | Very low | 24.1 | Very low | 158 Ų | 158 | 108 Ų | 108 | 69% | 0.693 | 60% | 0.603 | S | S | * | * | trans | 72.3 | 141 | 144.3 | -81.4 | -49.1 | 0 | 0 | 0 | 124.6 | ||||
| 1296 | K | 22.7 | Very low | 24.2 | Very low | 156 Ų | 156 | 104.9 Ų | 104.9 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | trans | 66.3 | 119.6 | 144.5 | -70.7 | 175.9 | 179 | -178.7 | 0 | 118.2 | ||||
| 1297 | E | 21.6 | Very low | 24.1 | Very low | 114 Ų | 114 | 104 Ų | 104 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | 72.1 | 75.5 | 63.6 | -166.5 | -170.3 | -167.9 | 0 | 0 | 112.6 | K1430 | E1297-K1430 IonicContact OE1-NZ 2.73Å; E1297-K1430 PolarHBondContact OE1-NZ 2.9Å | |||
| 1298 | F | 22.7 | Very low | 24.2 | Very low | 169 Ų | 169 | 103.7 Ų | 103.7 | 74% | 0.741 | 55% | 0.551 | S | S | * | * | trans | -142.9 | 133.8 | 157.7 | -87.9 | -70.6 | 0 | 0 | 0 | 112.9 | ||||
| 1299 | S | 23.6 | Very low | 24.4 | Very low | 89 Ų | 89 | 107.4 Ų | 107.4 | 62% | 0.622 | 56% | 0.56 | S | S | * | * | trans | 55.5 | 152.5 | 138.3 | -57.8 | 0 | 0 | 0 | 0 | 123.3 | Q1301 | S1299-Q1301 PolarHBondContact O-N 2.97Š| ||
| 1300 | T | 25.2 | Very low | 24.5 | Very low | 106 Ų | 106 | 108.3 Ų | 108.3 | 65% | 0.65 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -45 | 124.2 | 154.8 | 44.3 | 0 | 0 | 0 | 0 | 111.1 | T1302 | T1300-T1302 PolarHBondContact O-N 2.65Š|
| 1301 | Q | 26.7 | Very low | 24.5 | Very low | 193 Ų | 193 | 111.5 Ų | 111.5 | 90% | 0.902 | 58% | 0.582 | S | S | * | * | trans | -73.9 | 87.1 | -178.9 | -76.4 | -175.5 | -30.6 | 0 | 0 | 112.3 | S1299 V1303 | S1299-Q1301 PolarHBondContact O-N 2.97Å; Q1301-V1303 PolarHBondContact O-N 3.26Å | ||
| 1302 | T | 25.8 | Very low | 24.5 | Very low | 119 Ų | 119 | 113.8 Ų | 113.8 | 73% | 0.73 | 59% | 0.589 | S | S | * | * | trans | -66.3 | 115 | 157.7 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | T1300 R1304 | T1300-T1302 PolarHBondContact O-N 2.65Å; T1302-R1304 PolarHBondContact O-N 3.33Å; T1302-R1304 VanDerWaalsContact O-N 3.09Å | ||
| 1303 | V | 25.8 | Very low | 24.6 | Very low | 108 Ų | 108 | 114.1 Ų | 114.1 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | trans | -71.5 | 104 | 173.7 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | Q1301 Y1305 | Q1301-V1303 PolarHBondContact O-N 3.26Å; V1303-Y1305 HydrophobicContact CG1-CD2 4.45Å | ||
| 1304 | R | 23.9 | Very low | 24.8 | Very low | 139 Ų | 139 | 114.5 Ų | 114.5 | 53% | 0.525 | 59% | 0.591 | S | S | . | * | trans | -111.6 | 117.6 | 175.2 | -163.7 | 176.2 | -170.6 | 162.4 | -0.2 | 107.7 | N1133 T1302 Y2410 | N1133-R1304 PolarHBondContact O-NH1 2.64Å; T1302-R1304 PolarHBondContact O-N 3.33Å; T1302-R1304 VanDerWaalsContact O-N 3.09Å; R1304-Y2410 PolarHBondContact NE-OH 2.7Å; R1304-Y2410 VanDerWaalsContact NE-OH 3.1Å; R1304-Y2410 PolarHBondContact NH2-OH 3.29Å | ||
| 1305 | Y | 23.9 | Very low | 25 | Very low | 104 Ų | 104 | 113.2 Ų | 113.2 | 41% | 0.408 | 59% | 0.588 | S | S | . | * | trans | -84.1 | 133.5 | -172.9 | -118.1 | -84.4 | 0 | 0 | 0 | 111.8 | R895 H899 V1303 | R895-Y1305 HydrophobicContact CG-CD1 3.69Å; R895-Y1305 HydrophobicContact CG-CE1 3.83Å; H899-Y1305 PolarHBondContact CE1-O 2.75Å; H899-Y1305 PolarHBondContact NE2-O 3.29Å; V1303-Y1305 HydrophobicContact CG1-CD2 4.45Å | ||
| 1306 | Q | 24.1 | Very low | 25.1 | Very low | 73 Ų | 73 | 110.8 Ų | 110.8 | 34% | 0.341 | 58% | 0.579 | S | S | . | * | trans | -156.8 | 131 | 175.5 | -109.9 | -162.9 | 18.8 | 0 | 0 | 110.9 | N1308 Y2410 S2411 P2413 | Q1306-N1308 PolarHBondContact O-N 3.05Å; Q1306-Y2410 VanDerWaalsContact NE2-CD1 3.35Å; Q1306-S2411 PolarHBondContact NE2-O 2.83Å; Q1306-P2413 VanDerWaalsContact C-CG 3.48Å; Q1306-P2413 HydrophobicContact CB-CB 4.34Å; Q1306-P2413 HydrophobicContact CB-CG 3.51Å; Q1306-P2413 HydrophobicContact CG-CG 3.91Å; Q1306-P2413 VanDerWaalsContact OE1-CB 3.32Å | ||
| 1307 | P | 25.1 | Very low | 25.4 | Very low | 55 Ų | 55 | 108.6 Ų | 108.6 | 36% | 0.357 | 57% | 0.569 | S | S | . | * | trans | -99.9 | 70.1 | -164.8 | 39.4 | -36.5 | 0 | 0 | 0 | 115.9 | P2412 P2413 | P1307-P2412 HydrophobicContact CG-CB 4.08Å; P1307-P2413 VanDerWaalsContact O-CD 3.25Å; P1307-P2413 WeakPolarHBondContact O-CD 3.34Å | ||
| 1308 | N | 26.3 | Very low | 25.6 | Very low | 81 Ų | 81 | 107.3 Ų | 107.3 | 43% | 0.433 | 57% | 0.573 | S | S | . | * | trans | -0.2 | 111.7 | 161.7 | -72.9 | -20.9 | 0 | 0 | 0 | 123.2 | Q1306 T2414 T2415 | Q1306-N1308 PolarHBondContact O-N 3.05Å; N1308-T2414 PolarHBondContact OD1-N 3.39Å; N1308-T2415 HydrophobicContact CB-CG2 4.27Å; N1308-T2415 WeakPolarHBondContact CB-OG1 3.31Å; N1308-T2415 PolarHBondContact ND2-OG1 3Å | ||
| 1309 | K | 29 | Very low | 25.9 | Very low | 164 Ų | 164 | 103.9 Ų | 103.9 | 71% | 0.713 | 56% | 0.561 | S | S | * | * | trans | -110 | 101.5 | 160.8 | -63.9 | 178.8 | 170.8 | -177 | 0 | 115.8 | P2413 T2414 T2415 | K1309-P2413 WeakPolarHBondContact CA-O 3.5Å; K1309-P2413 VanDerWaalsContact CB-O 3.28Å; K1309-P2413 WeakPolarHBondContact CB-O 3.38Å; K1309-P2413 PolarHBondContact N-O 3.13Å; K1309-T2414 VanDerWaalsContact C-CA 3.46Å; K1309-T2414 VanDerWaalsContact N-CA 3.29Å; K1309-T2414 WeakPolarHBondContact O-CA 3.2Å; K1309-T2414 VanDerWaalsContact O-CB 3.27Å; K1309-T2414 WeakPolarHBondContact O-CB 3.3Å; K1309-T2414 WeakPolarHBondContact O-CG2 3.34Å; K1309-T2415 CarbonylContact C-O 3.58Å | ||
| 1310 | S | 25.3 | Very low | 26 | Very low | 45 Ų | 45 | 105.9 Ų | 105.9 | 32% | 0.315 | 56% | 0.559 | S | S | . | * | trans | -82.1 | -175.5 | 174.3 | 67 | 0 | 0 | 0 | 0 | 115.1 | T2415 P2416 H2417 | S1310-T2415 WeakPolarHBondContact CB-O 3.48Å; S1310-T2415 PolarHBondContact N-O 3.49Å; S1310-T2415 PolarHBondContact OG-O 3.49Å; S1310-T2415 VanDerWaalsContact OG-O 3.07Å; S1310-P2416 VanDerWaalsContact CB-CA 3.47Å; S1310-P2416 WeakPolarHBondContact OG-CA 3.14Å; S1310-H2417 PolarHBondContact OG-N 3.27Å | ||
| 1311 | L | 26.5 | Very low | 26 | Very low | 99 Ų | 99 | 105.5 Ų | 105.5 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | cis | -152.9 | -179.5 | -2.4 | -156.1 | 69.7 | 0 | 0 | 0 | 108.8 | H2417 | L1311-H2417 HydrophobicContact CB-CB 3.91Å; L1311-H2417 VanDerWaalsContact CB-CD2 3.42Å; L1311-H2417 WeakPolarHBondContact CB-CD2 3.25Å; L1311-H2417 HydrophobicContact CD2-CB 3.45Å; L1311-H2417 VanDerWaalsContact CD2-CB 3.45Å; L1311-H2417 HydrophobicContact CG-CB 4.14Å | ||
| 1312 | N | 24.2 | Very low | 26 | Very low | 110 Ų | 110 | 102 Ų | 102 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | trans | 76.1 | 137.8 | 153.7 | -72.8 | -31.2 | 0 | 0 | 0 | 117.8 | H2417 | N1312-H2417 PolarHBondContact ND2-CE1 3.24Å; N1312-H2417 VanDerWaalsContact ND2-CE1 3.27Å; N1312-H2417 PolarHBondContact ND2-NE2 3.07Å | ||
| 1313 | G | 26.7 | Very low | 26 | Very low | 61 Ų | 61 | 102.4 Ų | 102.4 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | cis | -158.9 | 149.9 | -7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1314 | T | 26.6 | Very low | 26 | Very low | 113 Ų | 113 | 105 Ų | 105 | 69% | 0.693 | 56% | 0.564 | S | S | * | * | 51.1 | 128.6 | 79 | 12.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1315 | I | 27.7 | Very low | 26.1 | Very low | 121 Ų | 121 | 106.5 Ų | 106.5 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | cis | -146.1 | 134.7 | 31.4 | -63.8 | -176.3 | 0 | 0 | 0 | 107.6 | K1317 | I1315-K1317 HydrophobicContact CG2-CD 4.22Å; I1315-K1317 HydrophobicContact CG2-CG 3.85Å | ||
| 1316 | Q | 25.1 | Very low | 26.2 | Very low | 108 Ų | 108 | 110.9 Ų | 110.9 | 51% | 0.505 | 60% | 0.597 | S | S | . | * | 40.3 | 154 | 101.4 | -37.2 | 157.8 | -11.7 | 0 | 0 | 115.1 | S1291 | S1291-Q1316 WeakPolarHBondContact O-CG 3.23Å; S1291-Q1316 PolarHBondContact O-NE2 3.09Å; S1291-Q1316 PolarHBondContact O-OE1 3.24Å | |||
| 1317 | K | 27.4 | Very low | 26.2 | Very low | 110 Ų | 110 | 114 Ų | 114 | 48% | 0.478 | 62% | 0.616 | S | S | . | * | -179.8 | 140.7 | 65.5 | -74.3 | -162.3 | 167 | -172.9 | 0 | 112 | D1289 S1290 I1315 | D1289-K1317 HydrophobicContact CB-CB 4.3Å; D1289-K1317 HydrophobicContact CB-CD 4.41Å; D1289-K1317 WeakPolarHBondContact O-CD 3.44Å; D1289-K1317 WeakPolarHBondContact O-CE 3.43Å; D1289-K1317 PolarHBondContact O-NZ 3.04Å; S1290-K1317 VanDerWaalsContact CB-CB 3.47Å; S1290-K1317 WeakPolarHBondContact OG-CA 3.38Å; I1315-K1317 HydrophobicContact CG2-CD 4.22Å; I1315-K1317 HydrophobicContact CG2-CG 3.85Å | |||
| 1318 | S | 27.3 | Very low | 26.3 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | trans | -175.5 | 167.2 | 162.4 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | D1289 S1290 | D1289-S1318 WeakPolarHBondContact OD2-CA 3.36Å; D1289-S1318 VanDerWaalsContact OD2-O 3.14Å; S1290-S1318 PolarHBondContact OG-N 2.93Å; S1290-S1318 PolarHBondContact OG-O 3.44Å; S1290-S1318 VanDerWaalsContact OG-O 3.08Å | ||
| 1319 | I | 27.9 | Very low | 26.3 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | -155 | 136.9 | -72.5 | -91.6 | 154.1 | 0 | 0 | 0 | 105 | V1288 D1289 | V1288-I1319 HydrophobicContact CB-CD1 4.45Å; V1288-I1319 HydrophobicContact CG1-CD1 3.99Å; V1288-I1319 HydrophobicContact CG1-CG1 4.24Å; V1288-I1319 HydrophobicContact CG2-CD1 3.7Å; V1288-I1319 HydrophobicContact CG2-CG1 4.05Å; D1289-I1319 HydrophobicContact CB-CG1 4.26Å; D1289-I1319 WeakPolarHBondContact OD2-CA 3.45Å; D1289-I1319 PolarHBondContact OD2-N 3.48Å | |||
| 1320 | K | 26.1 | Very low | 26.3 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | cis | 92.4 | 111.7 | 13.7 | -72.6 | -145.1 | -143.1 | 127.4 | 0 | 120 | D1289 | D1289-K1320 WeakPolarHBondContact OD1-CB 3.33Å; D1289-K1320 WeakPolarHBondContact OD1-CD 3.43Å; D1289-K1320 WeakPolarHBondContact OD1-CE 3.37Å; D1289-K1320 WeakPolarHBondContact OD1-CG 3.37Å; D1289-K1320 IonicContact OD1-NZ 2.81Å; D1289-K1320 PolarHBondContact OD1-NZ 3.12Å | ||
| 1321 | S | 24.3 | Very low | 26.3 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | trans | 172.9 | 150.6 | 139.4 | -75.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1322 | T | 27.4 | Very low | 26.5 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | cis | -164 | 131 | -27 | 27 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1323 | T | 25.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | 43.8 | 132.5 | 131 | -36.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1324 | I | 26.1 | Very low | 27.2 | Very low | 163 Ų | 163 | 129 Ų | 129 | 84% | 0.836 | 67% | 0.67 | S | S | * | * | trans | -162.4 | 158.8 | 135.3 | -104.3 | 157.1 | 0 | 0 | 0 | 112.2 | ||||
| 1325 | H | 24.6 | Very low | 27.9 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 78% | 0.782 | 66% | 0.655 | S | S | * | * | trans | -60.1 | 149.6 | -168.4 | -67 | -117.6 | 0 | 0 | 0 | 118.2 | ||||
| 1326 | K | 26.5 | Very low | 28.8 | Very low | 196 Ų | 196 | 124.9 Ų | 124.9 | 85% | 0.852 | 65% | 0.648 | S | S | * | * | -173.7 | 177.6 | 99.6 | -102.4 | -172.4 | 178.4 | -176 | 0 | 114.4 | |||||
| 1327 | D | 24.4 | Very low | 30.2 | Very low | 140 Ų | 140 | 120.4 Ų | 120.4 | 75% | 0.749 | 63% | 0.628 | S | S | * | * | trans | -71.5 | 145.7 | -163.3 | -49.5 | -94.4 | 0 | 0 | 0 | 116.4 | ||||
| 1328 | I | 26.5 | Very low | 31.4 | Very low | 152 Ų | 152 | 117.9 Ų | 117.9 | 78% | 0.779 | 62% | 0.624 | S | S | * | * | trans | 171.8 | 139 | 141.9 | -91.7 | 153.5 | 0 | 0 | 0 | 107.9 | T1330 | I1328-T1330 HydrophobicContact CG2-CG2 3.87Š| ||
| 1329 | R | 26.6 | Very low | 32.7 | Very low | 224 Ų | 224 | 122 Ų | 122 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | trans | -112.6 | 115.3 | 167.2 | -85.9 | -171.8 | 174 | -172.3 | -1.4 | 110.1 | ||||
| 1330 | T | 28.9 | Very low | 34.4 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | trans | -92.7 | 178.5 | -177.8 | 33.7 | 0 | 0 | 0 | 0 | 113.4 | I1328 | I1328-T1330 HydrophobicContact CG2-CG2 3.87Š| ||
| 1331 | H | 26.5 | Very low | 37 | Very low | 146 Ų | 146 | 115.8 Ų | 115.8 | 68% | 0.676 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 166.9 | -176.9 | -60.4 | -98.6 | 0 | 0 | 0 | 114.1 | S1333 | H1331-S1333 PolarHBondContact O-N 3.09Å; H1331-S1333 VanDerWaalsContact O-N 3.1Å |
| 1332 | I | 29.2 | Very low | 39.7 | Very low | 136 Ų | 136 | 114.5 Ų | 114.5 | 70% | 0.697 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -49.5 | 117.8 | 164.6 | -60.3 | 171.7 | 0 | 0 | 0 | 107.9 | C2182 | I1332-C2182 HydrophobicContact CD1-CB 3.76Š|
| 1333 | S | 32 | Very low | 42.2 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 123.7 | -153.5 | 38.9 | 0 | 0 | 0 | 0 | 113.4 | H1331 | H1331-S1333 PolarHBondContact O-N 3.09Å; H1331-S1333 VanDerWaalsContact O-N 3.1Å |
| 1334 | L | 34.3 | Very low | 44.8 | Very low | 58 Ų | 58 | 114.1 Ų | 114.1 | 30% | 0.304 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -52.4 | 144.7 | 143 | -79 | 96.2 | 0 | 0 | 0 | 108 | D1336 F1360 Q1439 | L1334-D1336 PolarHBondContact O-N 2.93Å; L1334-D1336 VanDerWaalsContact O-N 3.1Å; L1334-F1360 HydrophobicContact CD1-CD2 4.33Å; L1334-F1360 HydrophobicContact CD1-CE2 3.65Å; L1334-F1360 HydrophobicContact CD1-CZ 4.29Å; L1334-F1360 HydrophobicContact CD2-CD2 3.99Å; L1334-F1360 HydrophobicContact CD2-CE2 3.63Å; L1334-F1360 HydrophobicContact CG-CE2 4.3Å; L1334-Q1439 HydrophobicContact CD2-CB 4.19Å |
| 1335 | P | 41.8 | Very low | 47.6 | Very low | 56 Ų | 56 | 106.9 Ų | 106.9 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 121.6 | -169.7 | 27.8 | -37 | 0 | 0 | 0 | 110 | L1337 N1413 Q1439 | P1335-L1337 PolarHBondContact O-N 2.64Å; P1335-L1337 VanDerWaalsContact O-N 3.1Å; P1335-N1413 WeakPolarHBondContact CB-ND2 3.43Å; P1335-N1413 WeakPolarHBondContact CB-OD1 3.33Å; P1335-N1413 WeakPolarHBondContact CG-OD1 3.43Å; P1335-Q1439 PolarHBondContact O-OE1 2.89Å |
| 1336 | D | 45.9 | Very low | 50.5 | Low | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | trans | -76.4 | 107.9 | -156 | -172.9 | 15.2 | 0 | 0 | 0 | 112.7 | L1334 S1338 | L1334-D1336 PolarHBondContact O-N 2.93Å; L1334-D1336 VanDerWaalsContact O-N 3.1Å; D1336-S1338 PolarHBondContact O-N 3.43Å; D1336-S1338 VanDerWaalsContact OD1-CB 3.25Å; D1336-S1338 WeakPolarHBondContact OD1-CB 3.43Å; D1336-S1338 PolarHBondContact OD1-N 3.48Å; D1336-S1338 PolarHBondContact OD1-OG 2.78Å; D1336-S1338 VanDerWaalsContact OD2-CB 3.31Å; D1336-S1338 WeakPolarHBondContact OD2-CB 2.85Å; D1336-S1338 PolarHBondContact OD2-OG 3.12Å | ||
| 1337 | L | 55.6 | Low | 53.3 | Low | 15 Ų | 15 | 98.3 Ų | 98.3 | 8% | 0.079 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -75.8 | 4.7 | 175.3 | -70 | 174.6 | 0 | 0 | 0 | 114.1 | P1335 H1339 A1340 I1410 Q1439 I1441 | P1335-L1337 PolarHBondContact O-N 2.64Å; P1335-L1337 VanDerWaalsContact O-N 3.1Å; L1337-H1339 PolarHBondContact O-N 3.44Å; L1337-A1340 VanDerWaalsContact O-CB 3.29Å; L1337-A1340 WeakPolarHBondContact O-CB 3.36Å; L1337-A1340 PolarHBondContact O-N 3.23Å; L1337-I1410 HydrophobicContact CD1-CG2 4.18Å; L1337-I1410 HydrophobicContact CD2-CG2 4Å; L1337-Q1439 HydrophobicContact CD1-CB 4.35Å; L1337-Q1439 HydrophobicContact CD1-CG 4.17Å; L1337-I1441 HydrophobicContact CB-CD1 3.99Å; L1337-I1441 HydrophobicContact CD1-CD1 4.01Å; L1337-I1441 HydrophobicContact CD1-CG1 4.12Å; L1337-I1441 HydrophobicContact CD2-CD1 4.18Å; L1337-I1441 HydrophobicContact CG-CD1 4.3Å |
| 1338 | S | 52.5 | Low | 56.1 | Low | 57 Ų | 57 | 95.4 Ų | 95.4 | 40% | 0.399 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -56.8 | -16.7 | 173 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | D1336 | D1336-S1338 PolarHBondContact O-N 3.43Å; D1336-S1338 VanDerWaalsContact OD1-CB 3.25Å; D1336-S1338 WeakPolarHBondContact OD1-CB 3.43Å; D1336-S1338 PolarHBondContact OD1-N 3.48Å; D1336-S1338 PolarHBondContact OD1-OG 2.78Å; D1336-S1338 VanDerWaalsContact OD2-CB 3.31Å; D1336-S1338 WeakPolarHBondContact OD2-CB 2.85Å; D1336-S1338 PolarHBondContact OD2-OG 3.12Å |
| 1339 | H | 53.1 | Low | 58.8 | Low | 173 Ų | 173 | 88.4 Ų | 88.4 | 80% | 0.801 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -105.7 | 11.1 | 176.8 | -62.5 | -15.3 | 0 | 0 | 0 | 113.8 | L1337 N1341 | L1337-H1339 PolarHBondContact O-N 3.44Å; H1339-N1341 PolarHBondContact O-N 3.04Å |
| 1340 | A | 64.2 | Low | 61.7 | Low | 18 Ų | 18 | 81.5 Ų | 81.5 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | trans | -68.7 | 122.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1337 F1342 L1345 I1441 | L1337-A1340 VanDerWaalsContact O-CB 3.29Å; L1337-A1340 WeakPolarHBondContact O-CB 3.36Å; L1337-A1340 PolarHBondContact O-N 3.23Å; A1340-F1342 HydrophobicContact CB-CE1 4.22Å; A1340-F1342 PolarHBondContact O-N 3.34Å; A1340-L1345 HydrophobicContact CB-CD1 4.18Å; A1340-I1441 HydrophobicContact CB-CD1 3.31Å | ||
| 1341 | N | 80.1 | Confident | 64.5 | Low | 80 Ų | 80 | 76.5 Ų | 76.5 | 43% | 0.428 | 39% | 0.393 | S | S | . | . | trans | -70.7 | 92.5 | 180 | -176.6 | -11.8 | 0 | 0 | 0 | 110.9 | H1339 E1343 Q1344 L1345 | H1339-N1341 PolarHBondContact O-N 3.04Å; N1341-E1343 VanDerWaalsContact C-N 3.25Å; N1341-E1343 PolarHBondContact O-N 2.86Å; N1341-E1343 PolarHBondContact OD1-N 3.38Å; N1341-E1343 VanDerWaalsContact OD1-N 3.1Å; N1341-Q1344 HydrophobicContact CB-CB 4.01Å; N1341-Q1344 WeakPolarHBondContact ND2-CB 3.47Å; N1341-Q1344 PolarHBondContact O-N 3.47Å; N1341-Q1344 PolarHBondContact OD1-N 2.94Å; N1341-L1345 WeakPolarHBondContact O-CG 3.21Å; N1341-L1345 PolarHBondContact O-N 3.43Å | ||
| 1342 | F | 82.4 | Confident | 67.3 | Low | 69 Ų | 69 | 71.7 Ų | 71.7 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -30.1 | 179.7 | -58.7 | -47.4 | 0 | 0 | 0 | 113.1 | A1340 A1346 V1353 I1356 I1441 | A1340-F1342 HydrophobicContact CB-CE1 4.22Å; A1340-F1342 PolarHBondContact O-N 3.34Å; F1342-A1346 WeakPolarHBondContact O-CB 3.31Å; F1342-A1346 PolarHBondContact O-N 3.02Å; F1342-V1353 HydrophobicContact CB-CG1 4.13Å; F1342-I1356 HydrophobicContact CB-CG2 4.45Å; F1342-I1356 HydrophobicContact CD1-CB 4.49Å; F1342-I1356 HydrophobicContact CD1-CG2 3.52Å; F1342-I1356 HydrophobicContact CE1-CG2 4.05Å; F1342-I1356 HydrophobicContact CG-CG2 4.2Å; F1342-I1356 WeakPolarHBondContact O-CD1 3.41Å; F1342-I1441 HydrophobicContact CD1-CG2 4.31Å; F1342-I1441 HydrophobicContact CE1-CD1 3.85Å; F1342-I1441 HydrophobicContact CE1-CG1 4.11Å; F1342-I1441 HydrophobicContact CE1-CG2 4.08Å |
| 1343 | E | 79.1 | Confident | 69.9 | Low | 140 Ų | 140 | 68.3 Ų | 68.3 | 65% | 0.654 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -70.5 | -42.2 | 177.2 | -57.9 | -165.6 | 139.6 | 0 | 0 | 111.9 | N1341 A1346 K1347 V1353 | N1341-E1343 VanDerWaalsContact C-N 3.25Å; N1341-E1343 PolarHBondContact O-N 2.86Å; N1341-E1343 PolarHBondContact OD1-N 3.38Å; N1341-E1343 VanDerWaalsContact OD1-N 3.1Å; E1343-A1346 PolarHBondContact O-N 3.39Å; E1343-K1347 WeakPolarHBondContact O-CB 3.28Å; E1343-K1347 PolarHBondContact O-N 3.13Å; E1343-V1353 HydrophobicContact CB-CG2 4.44Å; E1343-V1353 HydrophobicContact CG-CG1 4.07Å; E1343-V1353 HydrophobicContact CG-CG2 4.21Å |
| 1344 | Q | 80.8 | Confident | 72.4 | Confident | 101 Ų | 101 | 72.9 Ų | 72.9 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 174.2 | 178.2 | 174 | -10.6 | 0 | 0 | 111.1 | N1341 A1346 K1347 E1348 | N1341-Q1344 HydrophobicContact CB-CB 4.01Å; N1341-Q1344 WeakPolarHBondContact ND2-CB 3.47Å; N1341-Q1344 PolarHBondContact O-N 3.47Å; N1341-Q1344 PolarHBondContact OD1-N 2.94Å; Q1344-A1346 VanDerWaalsContact C-N 3.29Å; Q1344-A1346 PolarHBondContact O-N 3.34Å; Q1344-K1347 PolarHBondContact O-N 3.05Å; Q1344-K1347 VanDerWaalsContact O-N 3.15Å; Q1344-E1348 HydrophobicContact CG-CG 4.31Å; Q1344-E1348 VanDerWaalsContact CG-OE1 3.28Å; Q1344-E1348 WeakPolarHBondContact CG-OE1 3.42Å; Q1344-E1348 PolarHBondContact NE2-OE1 3.29Å; Q1344-E1348 WeakPolarHBondContact O-CB 3.24Å; Q1344-E1348 WeakPolarHBondContact O-CG 3.22Å; Q1344-E1348 PolarHBondContact O-N 3.09Å |
| 1345 | L | 84.6 | Confident | 75 | Confident | 11 Ų | 11 | 70.3 Ų | 70.3 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -35.9 | 177.5 | -69 | 168.8 | 0 | 0 | 0 | 112.1 | A1340 N1341 A1349 I1356 L1409 I1410 I1417 I1441 | A1340-L1345 HydrophobicContact CB-CD1 4.18Å; N1341-L1345 WeakPolarHBondContact O-CG 3.21Å; N1341-L1345 PolarHBondContact O-N 3.43Å; L1345-A1349 WeakPolarHBondContact O-CB 3.27Å; L1345-A1349 PolarHBondContact O-N 3.45Å; L1345-I1356 HydrophobicContact CB-CD1 4.06Å; L1345-L1409 HydrophobicContact CB-CD1 4.07Å; L1345-I1410 HydrophobicContact CD1-CD1 3.67Å; L1345-I1410 HydrophobicContact CD1-CG1 4.29Å; L1345-I1410 HydrophobicContact CD2-CD1 3.98Å; L1345-I1410 HydrophobicContact CD2-CG1 4.24Å; L1345-I1410 HydrophobicContact CG-CD1 4.47Å; L1345-I1417 HydrophobicContact CD2-CD1 3.9Å; L1345-I1441 HydrophobicContact CD1-CD1 4.46Å |
| 1346 | A | 86.4 | Confident | 77.4 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.017 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1342 E1343 Q1344 N1350 V1351 V1353 I1356 | F1342-A1346 WeakPolarHBondContact O-CB 3.31Å; F1342-A1346 PolarHBondContact O-N 3.02Å; E1343-A1346 PolarHBondContact O-N 3.39Å; Q1344-A1346 VanDerWaalsContact C-N 3.29Å; Q1344-A1346 PolarHBondContact O-N 3.34Å; A1346-N1350 CarbonylContact O-C 3.56Å; A1346-N1350 VanDerWaalsContact O-CA 3.28Å; A1346-N1350 WeakPolarHBondContact O-CA 3.45Å; A1346-N1350 PolarHBondContact O-N 3.05Å; A1346-V1351 HydrophobicContact CB-CG2 4.34Å; A1346-V1351 WeakPolarHBondContact CB-O 3.17Å; A1346-V1351 PolarHBondContact O-N 3.31Å; A1346-V1353 HydrophobicContact CB-CB 4.21Å; A1346-V1353 HydrophobicContact CB-CG2 3.82Å; A1346-I1356 HydrophobicContact CB-CD1 3.68Å |
| 1347 | K | 84 | Confident | 79.4 | Confident | 182 Ų | 182 | 66.5 Ų | 66.5 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.3 | -42.1 | 177.4 | -170 | 175.7 | -177.7 | 178.1 | 0 | 112.4 | E1343 Q1344 N1350 | E1343-K1347 WeakPolarHBondContact O-CB 3.28Å; E1343-K1347 PolarHBondContact O-N 3.13Å; Q1344-K1347 PolarHBondContact O-N 3.05Å; Q1344-K1347 VanDerWaalsContact O-N 3.15Å; K1347-N1350 PolarHBondContact O-N 2.97Å |
| 1348 | E | 83 | Confident | 81 | Confident | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.3 | -74.9 | 177.1 | -168.3 | 0 | 0 | 112.3 | Q1344 N1350 I1417 | Q1344-E1348 HydrophobicContact CG-CG 4.31Å; Q1344-E1348 VanDerWaalsContact CG-OE1 3.28Å; Q1344-E1348 WeakPolarHBondContact CG-OE1 3.42Å; Q1344-E1348 PolarHBondContact NE2-OE1 3.29Å; Q1344-E1348 WeakPolarHBondContact O-CB 3.24Å; Q1344-E1348 WeakPolarHBondContact O-CG 3.22Å; Q1344-E1348 PolarHBondContact O-N 3.09Å; E1348-N1350 VanDerWaalsContact C-N 3.34Å; E1348-I1417 HydrophobicContact CB-CD1 3.89Å; E1348-I1417 HydrophobicContact CB-CG2 4.46Å |
| 1349 | A | 84.5 | Confident | 82.8 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -83.1 | -6.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1345 V1351 L1409 I1417 H1450 | L1345-A1349 WeakPolarHBondContact O-CB 3.27Å; L1345-A1349 PolarHBondContact O-N 3.45Å; A1349-V1351 HydrophobicContact CB-CG2 4.16Å; A1349-L1409 HydrophobicContact CB-CD1 4.44Å; A1349-L1409 HydrophobicContact CB-CD2 3.74Å; A1349-I1417 HydrophobicContact CB-CD1 4.12Å; A1349-H1450 PolarHBondContact O-CE1 2.82Å; A1349-H1450 VanDerWaalsContact O-CE1 3.29Å; A1349-H1450 PolarHBondContact O-NE2 3.42Å |
| 1350 | N | 87.1 | Confident | 84.4 | Confident | 78 Ų | 78 | 62 Ų | 62 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 56.7 | -171.8 | -170.8 | 45.5 | 0 | 0 | 0 | 113.7 | A1346 K1347 E1348 H1380 H1450 | A1346-N1350 CarbonylContact O-C 3.56Å; A1346-N1350 VanDerWaalsContact O-CA 3.28Å; A1346-N1350 WeakPolarHBondContact O-CA 3.45Å; A1346-N1350 PolarHBondContact O-N 3.05Å; K1347-N1350 PolarHBondContact O-N 2.97Å; E1348-N1350 VanDerWaalsContact C-N 3.34Å; N1350-H1380 WeakPolarHBondContact CB-CE1 3.42Å; N1350-H1380 PolarHBondContact ND2-CE1 2.92Å; N1350-H1380 PolarHBondContact ND2-NE2 3.47Å; N1350-H1450 PolarHBondContact O-NE2 3.19Å |
| 1351 | V | 88.1 | Confident | 85.5 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -130 | 159.7 | 173.9 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | A1346 A1349 I1356 A1443 A1446 Y1449 | A1346-V1351 HydrophobicContact CB-CG2 4.34Å; A1346-V1351 WeakPolarHBondContact CB-O 3.17Å; A1346-V1351 PolarHBondContact O-N 3.31Å; A1349-V1351 HydrophobicContact CB-CG2 4.16Å; V1351-I1356 HydrophobicContact CG2-CD1 4.35Å; V1351-I1356 HydrophobicContact CG2-CG1 4.3Å; V1351-A1443 HydrophobicContact CG1-CB 4.36Å; V1351-A1443 HydrophobicContact CG2-CB 3.9Å; V1351-A1446 HydrophobicContact CG1-CB 4.2Å; V1351-Y1449 HydrophobicContact CB-CD2 4.17Å; V1351-Y1449 HydrophobicContact CG1-CD2 4.1Å |
| 1352 | P | 84.7 | Confident | 85.5 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 29% | 0.286 | 31% | 0.306 | S | S | . | . | trans | -66.1 | 138.3 | 172.4 | -21 | 34.4 | 0 | 0 | 0 | 111.6 | K1354 S1355 Y1449 | P1352-K1354 HydrophobicContact CB-CG 3.93Å; P1352-K1354 PolarHBondContact O-N 3.09Å; P1352-K1354 VanDerWaalsContact O-N 3.16Å; P1352-S1355 VanDerWaalsContact O-CB 3.31Å; P1352-S1355 WeakPolarHBondContact O-CB 3.11Å; P1352-S1355 PolarHBondContact O-N 2.64Å; P1352-S1355 PolarHBondContact O-OG 2.95Å; P1352-Y1449 HydrophobicContact CG-CD1 3.94Å; P1352-Y1449 HydrophobicContact CG-CE1 3.57Å; P1352-Y1449 HydrophobicContact CG-CE2 4.24Å; P1352-Y1449 HydrophobicContact CG-CG 4.43Å | ||
| 1353 | V | 84.1 | Confident | 85.2 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -51.2 | -43 | 179.2 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | F1342 E1343 A1346 S1355 I1356 | F1342-V1353 HydrophobicContact CB-CG1 4.13Å; E1343-V1353 HydrophobicContact CB-CG2 4.44Å; E1343-V1353 HydrophobicContact CG-CG1 4.07Å; E1343-V1353 HydrophobicContact CG-CG2 4.21Å; A1346-V1353 HydrophobicContact CB-CB 4.21Å; A1346-V1353 HydrophobicContact CB-CG2 3.82Å; V1353-S1355 PolarHBondContact O-N 2.79Å; V1353-I1356 PolarHBondContact O-N 3.39Å |
| 1354 | K | 84.8 | Confident | 84.9 | Confident | 190 Ų | 190 | 57.5 Ų | 57.5 | 83% | 0.826 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -59.8 | -6.5 | 176 | 67.3 | 178.3 | -180 | -176 | 0 | 116 | P1352 | P1352-K1354 HydrophobicContact CB-CG 3.93Å; P1352-K1354 PolarHBondContact O-N 3.09Å; P1352-K1354 VanDerWaalsContact O-N 3.16Å |
| 1355 | S | 88.7 | Confident | 84.3 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -88.7 | -19 | 172.3 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | P1352 V1353 K1444 | P1352-S1355 VanDerWaalsContact O-CB 3.31Å; P1352-S1355 WeakPolarHBondContact O-CB 3.11Å; P1352-S1355 PolarHBondContact O-N 2.64Å; P1352-S1355 PolarHBondContact O-OG 2.95Å; V1353-S1355 PolarHBondContact O-N 2.79Å; S1355-K1444 WeakPolarHBondContact CB-O 3.32Å; S1355-K1444 VanDerWaalsContact O-CB 3.31Å; S1355-K1444 WeakPolarHBondContact O-CB 3.39Å; S1355-K1444 WeakPolarHBondContact O-CG 3.37Å; S1355-K1444 PolarHBondContact O-N 3.44Å |
| 1356 | I | 90.7 | Very high | 83.7 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 135.7 | -173.6 | -61.5 | -178.9 | 0 | 0 | 0 | 110.6 | F1342 L1345 A1346 V1351 V1353 L1409 I1441 I1442 A1443 | F1342-I1356 HydrophobicContact CB-CG2 4.45Å; F1342-I1356 HydrophobicContact CD1-CB 4.49Å; F1342-I1356 HydrophobicContact CD1-CG2 3.52Å; F1342-I1356 HydrophobicContact CE1-CG2 4.05Å; F1342-I1356 HydrophobicContact CG-CG2 4.2Å; F1342-I1356 WeakPolarHBondContact O-CD1 3.41Å; L1345-I1356 HydrophobicContact CB-CD1 4.06Å; A1346-I1356 HydrophobicContact CB-CD1 3.68Å; V1351-I1356 HydrophobicContact CG2-CD1 4.35Å; V1351-I1356 HydrophobicContact CG2-CG1 4.3Å; V1353-I1356 PolarHBondContact O-N 3.39Å; I1356-L1409 HydrophobicContact CD1-CD1 3.53Å; I1356-L1409 HydrophobicContact CG1-CD1 3.94Å; I1356-L1409 HydrophobicContact CG2-CD1 4.45Å; I1356-I1441 HydrophobicContact CG2-CG2 3.34Å; I1356-I1442 CarbonylContact C-O 3.51Å; I1356-I1442 WeakPolarHBondContact CA-O 3.08Å; I1356-A1443 HydrophobicContact CG1-CB 4.23Å |
| 1357 | T | 89.5 | Confident | 83.4 | Confident | 48 Ų | 48 | 68 Ų | 68 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.7 | -175.5 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | I1441 I1442 K1444 | T1357-I1441 WeakPolarHBondContact O-CA 3.48Å; T1357-I1442 PolarHBondContact N-O 3.27Å; T1357-I1442 PolarHBondContact O-N 2.9Å; T1357-I1442 PolarHBondContact OG1-O 3.32Å; T1357-K1444 HydrophobicContact CG2-CG 3.79Å; T1357-K1444 WeakPolarHBondContact OG1-CE 3.25Å |
| 1358 | Q | 89.6 | Confident | 83.5 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.8 | 175.5 | -171.6 | 174.8 | -12 | 0 | 0 | 108.7 | Q1439 M1440 I1441 | Q1358-Q1439 HydrophobicContact CG-CG 4.36Å; Q1358-M1440 WeakPolarHBondContact CA-O 3.32Å; Q1358-I1441 HydrophobicContact CB-CG1 4.47Å; Q1358-I1441 HydrophobicContact CG-CG1 4.34Å |
| 1359 | I | 89 | Confident | 83.8 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.7 | -176.2 | -73.7 | 175.3 | 0 | 0 | 0 | 108.7 | L1361 R1401 L1402 Q1439 M1440 I1442 | I1359-L1361 HydrophobicContact CG2-CD1 4.08Å; I1359-R1401 HydrophobicContact CD1-CB 3.84Å; I1359-L1402 HydrophobicContact CD1-CD2 3.62Å; I1359-L1402 HydrophobicContact CD1-CG 4.24Å; I1359-Q1439 CarbonylContact O-C 3.54Å; I1359-Q1439 WeakPolarHBondContact O-CA 3.11Å; I1359-M1440 PolarHBondContact N-O 2.8Å; I1359-M1440 PolarHBondContact O-N 2.86Å; I1359-I1442 HydrophobicContact CB-CD1 3.93Å; I1359-I1442 HydrophobicContact CD1-CD1 4.27Å; I1359-I1442 HydrophobicContact CG1-CD1 4.43Å |
| 1360 | F | 87.7 | Confident | 84 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 33% | 0.333 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123 | 172.9 | 169.2 | -99.9 | 0 | 0 | 0 | 108.2 | L1334 R1401 D1436 I1438 Q1439 | L1334-F1360 HydrophobicContact CD1-CD2 4.33Å; L1334-F1360 HydrophobicContact CD1-CE2 3.65Å; L1334-F1360 HydrophobicContact CD1-CZ 4.29Å; L1334-F1360 HydrophobicContact CD2-CD2 3.99Å; L1334-F1360 HydrophobicContact CD2-CE2 3.63Å; L1334-F1360 HydrophobicContact CG-CE2 4.3Å; F1360-R1401 PolarHBondContact O-NH2 3.2Å; F1360-D1436 WeakPolarHBondContact CZ-O 3.45Å; F1360-I1438 WeakPolarHBondContact CA-O 3.45Å; F1360-I1438 WeakPolarHBondContact CD2-O 3.18Å; F1360-Q1439 HydrophobicContact CD2-CB 4.4Å |
| 1361 | L | 86 | Confident | 84.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.2 | -174.8 | -139.5 | 86.7 | 0 | 0 | 0 | 109.8 | I1359 L1368 A1395 A1396 D1399 L1402 G1437 I1438 | I1359-L1361 HydrophobicContact CG2-CD1 4.08Å; L1361-L1368 HydrophobicContact CB-CD2 4.41Å; L1361-L1368 HydrophobicContact CD2-CB 3.94Å; L1361-L1368 HydrophobicContact CD2-CD2 3.97Å; L1361-L1368 WeakPolarHBondContact CD2-O 3.22Å; L1361-A1395 HydrophobicContact CD2-CB 4.13Å; L1361-A1396 HydrophobicContact CD2-CB 4Å; L1361-D1399 HydrophobicContact CD1-CB 3.71Å; L1361-L1402 HydrophobicContact CD1-CD1 3.97Å; L1361-G1437 CarbonylContact O-C 3.53Å; L1361-G1437 WeakPolarHBondContact O-CA 3.24Å; L1361-I1438 PolarHBondContact N-O 3.42Å; L1361-I1438 PolarHBondContact O-N 3.32Å |
| 1362 | K | 80.2 | Confident | 84.3 | Confident | 137 Ų | 137 | 56 Ų | 56 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | trans | -85.9 | 133.7 | 172.4 | -176.1 | 162 | -174.7 | 166.2 | 0 | 110 | A1395 | K1362-A1395 VanDerWaalsContact O-CB 3.27Å; K1362-A1395 WeakPolarHBondContact O-CB 3.45Å | ||
| 1363 | K | 76.7 | Confident | 84.6 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 10% | 0.1 | 29% | 0.286 | C | S | . | . | trans | -63.6 | 149.2 | -179.5 | -74.8 | -175.2 | -111.8 | 172 | 0 | 112.5 | N1366 S1367 L1368 N1432 S1434 D1435 | K1363-N1366 VanDerWaalsContact CD-OD1 3.31Å; K1363-N1366 WeakPolarHBondContact CD-OD1 3.25Å; K1363-N1366 PolarHBondContact NZ-OD1 3.46Å; K1363-S1367 WeakPolarHBondContact CA-O 3.21Å; K1363-L1368 HydrophobicContact CG-CD2 4.22Å; K1363-N1432 WeakPolarHBondContact CD-OD1 3.24Å; K1363-N1432 WeakPolarHBondContact CE-OD1 3.49Å; K1363-N1432 PolarHBondContact NZ-O 2.78Å; K1363-S1434 WeakPolarHBondContact CE-O 3.24Å; K1363-S1434 PolarHBondContact NZ-O 3.07Å; K1363-D1435 IonicContact NZ-OD1 2.7Å | ||
| 1364 | I | 73.4 | Confident | 84.9 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 128.2 | 164.2 | -59.5 | -178.8 | 0 | 0 | 0 | 107.1 | N1366 S1367 A1395 Q1398 | I1364-N1366 PolarHBondContact O-N 3.21Å; I1364-S1367 PolarHBondContact N-O 3.49Å; I1364-S1367 VanDerWaalsContact N-O 3.1Å; I1364-S1367 PolarHBondContact O-N 3.17Å; I1364-A1395 HydrophobicContact CB-CB 4.23Å; I1364-A1395 HydrophobicContact CD1-CB 4.29Å; I1364-A1395 HydrophobicContact CG1-CB 3.97Å; I1364-Q1398 HydrophobicContact CD1-CB 4.38Å; I1364-Q1398 HydrophobicContact CD1-CG 4.22Å |
| 1365 | N | 68.4 | Low | 85.1 | Confident | 162 Ų | 162 | 45.2 Ų | 45.2 | 87% | 0.866 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 41.5 | -177.5 | -58.6 | -15.9 | 0 | 0 | 0 | 113.5 | S1367 | N1365-S1367 PolarHBondContact O-N 2.94Å; N1365-S1367 VanDerWaalsContact O-N 3.12Å |
| 1366 | N | 71.1 | Confident | 84.9 | Confident | 112 Ų | 112 | 49.3 Ų | 49.3 | 60% | 0.599 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 14.7 | -172.8 | -102.5 | -16.4 | 0 | 0 | 0 | 116.7 | K1363 I1364 | K1363-N1366 VanDerWaalsContact CD-OD1 3.31Å; K1363-N1366 WeakPolarHBondContact CD-OD1 3.25Å; K1363-N1366 PolarHBondContact NZ-OD1 3.46Å; I1364-N1366 PolarHBondContact O-N 3.21Å |
| 1367 | S | 79.1 | Confident | 84.2 | Confident | 61 Ų | 61 | 49 Ų | 49 | 43% | 0.427 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -110.7 | 154.3 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | K1363 I1364 N1365 G1369 | K1363-S1367 WeakPolarHBondContact CA-O 3.21Å; I1364-S1367 PolarHBondContact N-O 3.49Å; I1364-S1367 VanDerWaalsContact N-O 3.1Å; I1364-S1367 PolarHBondContact O-N 3.17Å; N1365-S1367 PolarHBondContact O-N 2.94Å; N1365-S1367 VanDerWaalsContact O-N 3.12Å; S1367-G1369 PolarHBondContact OG-N 2.8Å |
| 1368 | L | 87 | Confident | 83.1 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | trans | -91.2 | -11.4 | 167.6 | -59.8 | 174.7 | 0 | 0 | 0 | 112.3 | L1361 K1363 L1370 A1396 I1428 I1438 | L1361-L1368 HydrophobicContact CB-CD2 4.41Å; L1361-L1368 HydrophobicContact CD2-CB 3.94Å; L1361-L1368 HydrophobicContact CD2-CD2 3.97Å; L1361-L1368 WeakPolarHBondContact CD2-O 3.22Å; K1363-L1368 HydrophobicContact CG-CD2 4.22Å; L1368-L1370 HydrophobicContact CB-CD1 4.35Å; L1368-L1370 HydrophobicContact CB-CG 4.45Å; L1368-A1396 VanDerWaalsContact O-CB 3.28Å; L1368-A1396 WeakPolarHBondContact O-CB 3.5Å; L1368-A1396 PolarHBondContact O-N 2.85Å; L1368-I1428 HydrophobicContact CD1-CG2 4.12Å; L1368-I1438 HydrophobicContact CD1-CD1 3.93Å; L1368-I1438 HydrophobicContact CD2-CD1 4.01Å; L1368-I1438 HydrophobicContact CD2-CG1 4.34Å; L1368-I1438 HydrophobicContact CG-CD1 4.46Å | ||
| 1369 | G | 88.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | 67.4 | 31.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1367 V1391 | S1367-G1369 PolarHBondContact OG-N 2.8Å; G1369-V1391 PolarHBondContact O-N 3.44Å | ||
| 1370 | L | 89.8 | Confident | 80.9 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.199 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.1 | -177 | -68.1 | 173.8 | 0 | 0 | 0 | 112 | L1368 I1387 I1390 A1396 L1402 M1440 | L1368-L1370 HydrophobicContact CB-CD1 4.35Å; L1368-L1370 HydrophobicContact CB-CG 4.45Å; L1370-I1387 HydrophobicContact CD2-CD1 4.01Å; L1370-I1387 HydrophobicContact CD2-CG2 4.08Å; L1370-I1390 HydrophobicContact CD2-CD1 4.42Å; L1370-I1390 HydrophobicContact CD2-CG1 4.01Å; L1370-A1396 HydrophobicContact CD1-CB 4.41Å; L1370-A1396 HydrophobicContact CD2-CB 3.33Å; L1370-A1396 HydrophobicContact CG-CB 3.66Å; L1370-L1402 HydrophobicContact CD1-CD1 3.73Å; L1370-L1402 HydrophobicContact CD2-CD1 3.88Å; L1370-L1402 HydrophobicContact CG-CD1 4.33Å; L1370-M1440 HydrophobicContact CD1-CE 4.39Å |
| 1371 | S | 89.6 | Confident | 79.9 | Confident | 26 Ų | 26 | 68 Ų | 68 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.4 | 162.1 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | K1388 D1389 | S1371-K1388 PolarHBondContact O-N 3.45Å; S1371-D1389 PolarHBondContact N-O 2.8Å; S1371-D1389 PolarHBondContact O-N 3.39Å |
| 1372 | I | 91.9 | Very high | 79.4 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 153.3 | -177.6 | 62 | 168.7 | 0 | 0 | 0 | 112.3 | I1385 Y1386 I1408 Q1421 V1425 I1428 | I1372-I1385 HydrophobicContact CB-CG2 4.22Å; I1372-I1385 HydrophobicContact CD1-CG2 3.89Å; I1372-Y1386 CarbonylContact C-O 3.57Å; I1372-Y1386 VanDerWaalsContact CA-O 3.23Å; I1372-Y1386 WeakPolarHBondContact CA-O 3.41Å; I1372-I1408 HydrophobicContact CG2-CD1 3.91Å; I1372-Q1421 PolarHBondContact O-NE2 3.41Å; I1372-Q1421 VanDerWaalsContact O-NE2 3.08Å; I1372-V1425 HydrophobicContact CD1-CG2 3.96Å; I1372-V1425 HydrophobicContact CG1-CG2 4.43Å; I1372-I1428 HydrophobicContact CD1-CD1 3.49Å; I1372-I1428 VanDerWaalsContact CD1-CD1 3.49Å |
| 1373 | V | 90.7 | Very high | 79.5 | Confident | 34 Ų | 34 | 72 Ų | 72 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139.9 | 177.5 | 64 | 0 | 0 | 0 | 0 | 110.3 | Y1386 K1388 I1456 | V1373-Y1386 PolarHBondContact N-O 2.71Å; V1373-Y1386 PolarHBondContact O-N 3.26Å; V1373-K1388 HydrophobicContact CB-CB 4.4Å; V1373-K1388 HydrophobicContact CG1-CB 4.1Å; V1373-I1456 HydrophobicContact CG1-CG1 4.22Å |
| 1374 | A | 90.7 | Very high | 80.2 | Confident | 22 Ų | 22 | 71 Ų | 71 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y1383 G1384 I1385 Q1421 | A1374-Y1383 HydrophobicContact CB-CD1 4.46Å; A1374-G1384 WeakPolarHBondContact CA-O 3.49Å; A1374-I1385 HydrophobicContact CB-CD1 3.82Å; A1374-Q1421 HydrophobicContact CB-CB 3.69Å; A1374-Q1421 HydrophobicContact CB-CG 4.29Å |
| 1375 | A | 87.4 | Confident | 81.1 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 159.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1384 Y1386 I1452 | A1375-G1384 PolarHBondContact N-O 2.76Å; A1375-G1384 PolarHBondContact O-N 3.22Å; A1375-Y1386 HydrophobicContact CB-CD2 3.79Å; A1375-Y1386 HydrophobicContact CB-CE2 3.79Å; A1375-I1452 HydrophobicContact CB-CD1 3.8Å |
| 1376 | K | 85.2 | Confident | 82.4 | Confident | 90 Ų | 90 | 61 Ų | 61 | 39% | 0.391 | 32% | 0.32 | S | S | . | . | trans | -141.1 | 130.2 | 179.5 | -171.5 | 169.7 | 82.1 | 138.3 | 0 | 109.4 | H1380 L1382 Y1383 | K1376-H1380 VanDerWaalsContact CD-O 3.24Å; K1376-H1380 WeakPolarHBondContact CD-O 3.43Å; K1376-H1380 VanDerWaalsContact CE-O 3.28Å; K1376-H1380 WeakPolarHBondContact CE-O 3.46Å; K1376-H1380 HydrophobicContact CG-CB 4.08Å; K1376-H1380 PolarHBondContact NZ-O 2.86Å; K1376-L1382 WeakPolarHBondContact CD-O 3.4Å; K1376-L1382 WeakPolarHBondContact CG-O 3.31Å; K1376-Y1383 HydrophobicContact CB-CD1 3.75Å; K1376-Y1383 HydrophobicContact CB-CE1 3.9Å; K1376-Y1383 HydrophobicContact CB-CG 4.44Å | ||
| 1377 | A | 76.6 | Confident | 83.5 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | trans | -72.8 | 156.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H1380 H1450 I1452 | A1377-H1380 HydrophobicContact CB-CB 4.47Å; A1377-H1380 WeakPolarHBondContact O-CB 3.39Å; A1377-H1380 PolarHBondContact O-N 3Å; A1377-H1450 HydrophobicContact CB-CB 4.2Å; A1377-I1452 HydrophobicContact CB-CG2 4.31Å | ||
| 1378 | E | 65.6 | Low | 84.1 | Confident | 199 Ų | 199 | 57 Ų | 57 | 93% | 0.93 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 142.3 | 173.4 | -164.7 | 163.9 | -151.9 | 0 | 0 | 110.9 | H1380 | E1378-H1380 PolarHBondContact O-N 2.7Š|
| 1379 | G | 63.8 | Low | 84.4 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 81% | 0.814 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | -20.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1380 | H | 69.4 | Low | 84.5 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 39% | 0.394 | 32% | 0.315 | S | S | . | . | trans | -73.3 | 144.9 | 177 | -92.4 | -91.8 | 0 | 0 | 0 | 112.3 | N1350 K1376 A1377 E1378 | N1350-H1380 WeakPolarHBondContact CB-CE1 3.42Å; N1350-H1380 PolarHBondContact ND2-CE1 2.92Å; N1350-H1380 PolarHBondContact ND2-NE2 3.47Å; K1376-H1380 VanDerWaalsContact CD-O 3.24Å; K1376-H1380 WeakPolarHBondContact CD-O 3.43Å; K1376-H1380 VanDerWaalsContact CE-O 3.28Å; K1376-H1380 WeakPolarHBondContact CE-O 3.46Å; K1376-H1380 HydrophobicContact CG-CB 4.08Å; K1376-H1380 PolarHBondContact NZ-O 2.86Å; A1377-H1380 HydrophobicContact CB-CB 4.47Å; A1377-H1380 WeakPolarHBondContact O-CB 3.39Å; A1377-H1380 PolarHBondContact O-N 3Å; E1378-H1380 PolarHBondContact O-N 2.7Å | ||
| 1381 | R | 65.9 | Low | 84.4 | Confident | 233 Ų | 233 | 63.1 Ų | 63.1 | 88% | 0.879 | 33% | 0.325 | S | S | * | . | trans | -88.1 | -39.2 | 179 | -70.1 | -170.5 | 178.1 | -166.9 | -0.6 | 113.1 | ||||
| 1382 | L | 75.8 | Confident | 84.3 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -98.9 | 150.4 | -173.5 | -60.7 | 180 | 0 | 0 | 0 | 112.6 | K1376 I1417 | K1376-L1382 WeakPolarHBondContact CD-O 3.4Å; K1376-L1382 WeakPolarHBondContact CG-O 3.31Å; L1382-I1417 HydrophobicContact CD1-CG2 4.33Å |
| 1383 | Y | 83.6 | Confident | 84 | Confident | 121 Ų | 121 | 71.2 Ų | 71.2 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | trans | -78.8 | 151.1 | 169.7 | -73.3 | -82.6 | 0 | 0 | 0 | 111.9 | A1374 K1376 G1418 | A1374-Y1383 HydrophobicContact CB-CD1 4.46Å; K1376-Y1383 HydrophobicContact CB-CD1 3.75Å; K1376-Y1383 HydrophobicContact CB-CE1 3.9Å; K1376-Y1383 HydrophobicContact CB-CG 4.44Å; Y1383-G1418 VanDerWaalsContact O-CA 3.31Å; Y1383-G1418 WeakPolarHBondContact O-CA 3.43Å; Y1383-G1418 PolarHBondContact O-N 3.12Å | ||
| 1384 | G | 89.6 | Confident | 83.7 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1374 A1375 Y1386 | A1374-G1384 WeakPolarHBondContact CA-O 3.49Å; A1375-G1384 PolarHBondContact N-O 2.76Å; A1375-G1384 PolarHBondContact O-N 3.22Å; G1384-Y1386 VanDerWaalsContact O-CD2 3.24Å; G1384-Y1386 WeakPolarHBondContact O-CD2 3.5Å; G1384-Y1386 WeakPolarHBondContact O-CE2 3.45Å |
| 1385 | I | 94.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 108.8 | 179.2 | -56 | -58.5 | 0 | 0 | 0 | 109.3 | I1372 A1374 Q1407 I1408 L1416 A1424 | I1372-I1385 HydrophobicContact CB-CG2 4.22Å; I1372-I1385 HydrophobicContact CD1-CG2 3.89Å; A1374-I1385 HydrophobicContact CB-CD1 3.82Å; I1385-Q1407 CarbonylContact O-C 3.57Å; I1385-Q1407 VanDerWaalsContact O-CA 3.3Å; I1385-Q1407 WeakPolarHBondContact O-CA 3.31Å; I1385-Q1407 VanDerWaalsContact O-CG 3.3Å; I1385-Q1407 WeakPolarHBondContact O-CG 3.43Å; I1385-I1408 HydrophobicContact CG2-CD1 4.47Å; I1385-I1408 PolarHBondContact O-N 3.19Å; I1385-L1416 HydrophobicContact CG1-CB 4.22Å; I1385-A1424 HydrophobicContact CD1-CB 3.54Å; I1385-A1424 HydrophobicContact CG1-CB 3.65Å; I1385-A1424 HydrophobicContact CG2-CB 4.22Å |
| 1386 | Y | 94.6 | Very high | 83.7 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 3% | 0.027 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 147.4 | -174.4 | -54.1 | -95.8 | 0 | 0 | 0 | 111.7 | I1372 V1373 A1375 G1384 K1388 D1406 Q1407 A1446 A1447 H1450 I1452 I1456 | I1372-Y1386 CarbonylContact C-O 3.57Å; I1372-Y1386 VanDerWaalsContact CA-O 3.23Å; I1372-Y1386 WeakPolarHBondContact CA-O 3.41Å; V1373-Y1386 PolarHBondContact N-O 2.71Å; V1373-Y1386 PolarHBondContact O-N 3.26Å; A1375-Y1386 HydrophobicContact CB-CD2 3.79Å; A1375-Y1386 HydrophobicContact CB-CE2 3.79Å; G1384-Y1386 VanDerWaalsContact O-CD2 3.24Å; G1384-Y1386 WeakPolarHBondContact O-CD2 3.5Å; G1384-Y1386 WeakPolarHBondContact O-CE2 3.45Å; Y1386-K1388 PolarHBondContact O-N 2.89Å; Y1386-D1406 CarbonylContact C-O 3.55Å; Y1386-D1406 VanDerWaalsContact CA-O 3.3Å; Y1386-D1406 WeakPolarHBondContact CA-O 3.3Å; Y1386-Q1407 HydrophobicContact CD1-CB 3.7Å; Y1386-Q1407 HydrophobicContact CD1-CG 4.16Å; Y1386-Q1407 HydrophobicContact CE1-CB 3.74Å; Y1386-Q1407 HydrophobicContact CE1-CG 3.98Å; Y1386-Q1407 HydrophobicContact CG-CB 4.44Å; Y1386-A1446 HydrophobicContact CD1-CB 4.22Å; Y1386-A1446 HydrophobicContact CE1-CB 3.84Å; Y1386-A1447 HydrophobicContact CD1-CB 4.22Å; Y1386-H1450 AromaticContact CE1-ND1 3.66Å; Y1386-H1450 AromaticContact CZ-ND1 3.81Å; Y1386-H1450 PolarHBondContact OH-ND1 3.19Å; Y1386-H1450 VanDerWaalsContact OH-ND1 3.09Å; Y1386-I1452 HydrophobicContact CD2-CD1 4.27Å; Y1386-I1452 HydrophobicContact CE1-CD1 4.02Å; Y1386-I1452 HydrophobicContact CE2-CD1 3.75Å; Y1386-I1456 HydrophobicContact CD1-CD1 3.95Å; Y1386-I1456 HydrophobicContact CD2-CD1 4.09Å; Y1386-I1456 HydrophobicContact CG-CD1 3.62Å |
| 1387 | I | 94 | Very high | 83.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 116.8 | 168.5 | -60.3 | 179.7 | 0 | 0 | 0 | 107.8 | L1370 I1390 L1402 T1404 G1405 D1406 I1408 | L1370-I1387 HydrophobicContact CD2-CD1 4.01Å; L1370-I1387 HydrophobicContact CD2-CG2 4.08Å; I1387-I1390 HydrophobicContact CG2-CD1 4.42Å; I1387-I1390 HydrophobicContact CG2-CG1 3.95Å; I1387-L1402 HydrophobicContact CD1-CB 3.99Å; I1387-L1402 HydrophobicContact CD1-CD1 4.08Å; I1387-L1402 HydrophobicContact CD1-CD2 3.87Å; I1387-L1402 HydrophobicContact CD1-CG 4.21Å; I1387-T1404 WeakPolarHBondContact O-CA 3.29Å; I1387-G1405 PolarHBondContact O-N 3.1Å; I1387-D1406 HydrophobicContact CD1-CB 4.17Å; I1387-D1406 PolarHBondContact N-O 3.47Å; I1387-I1408 HydrophobicContact CG1-CD1 4.42Å; I1387-I1408 HydrophobicContact CG1-CG1 4.33Å |
| 1388 | K | 93.2 | Very high | 84.4 | Confident | 88 Ų | 88 | 73.3 Ų | 73.3 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -44.2 | 175.6 | -176.9 | 179.7 | 177.5 | 179.5 | 0 | 111 | S1371 V1373 Y1386 T1404 S1458 | S1371-K1388 PolarHBondContact O-N 3.45Å; V1373-K1388 HydrophobicContact CB-CB 4.4Å; V1373-K1388 HydrophobicContact CG1-CB 4.1Å; Y1386-K1388 PolarHBondContact O-N 2.89Å; K1388-T1404 WeakPolarHBondContact O-CG2 3.38Å; K1388-T1404 PolarHBondContact O-OG1 2.57Å; K1388-S1458 WeakPolarHBondContact CE-OG 3.4Å |
| 1389 | D | 91.5 | Very high | 85.5 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 160.9 | -173.8 | -161 | 12.1 | 0 | 0 | 0 | 111.3 | S1371 | S1371-D1389 PolarHBondContact N-O 2.8Å; S1371-D1389 PolarHBondContact O-N 3.39Å |
| 1390 | I | 90.9 | Very high | 86.7 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.8 | -179.6 | -60 | -173 | 0 | 0 | 0 | 108.1 | L1370 I1387 P1392 A1396 D1397 L1402 | L1370-I1390 HydrophobicContact CD2-CD1 4.42Å; L1370-I1390 HydrophobicContact CD2-CG1 4.01Å; I1387-I1390 HydrophobicContact CG2-CD1 4.42Å; I1387-I1390 HydrophobicContact CG2-CG1 3.95Å; I1390-P1392 WeakPolarHBondContact O-CD 3.44Å; I1390-A1396 HydrophobicContact CG2-CB 3.99Å; I1390-D1397 HydrophobicContact CG2-CB 3.85Å; I1390-L1402 VanDerWaalsContact CD1-C 3.41Å; I1390-L1402 HydrophobicContact CD1-CB 3.98Å; I1390-L1402 WeakPolarHBondContact CD1-O 3.49Å |
| 1391 | V | 88.4 | Confident | 87.7 | Confident | 67 Ų | 67 | 66.2 Ų | 66.2 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | trans | -73.5 | 119.8 | -174 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | G1369 N1393 G1394 D1397 | G1369-V1391 PolarHBondContact O-N 3.44Å; V1391-N1393 PolarHBondContact O-N 2.77Å; V1391-G1394 WeakPolarHBondContact O-CA 3.44Å; V1391-G1394 PolarHBondContact O-N 2.92Å; V1391-D1397 WeakPolarHBondContact O-CB 3.17Å | ||
| 1392 | P | 87.8 | Confident | 89 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 62% | 0.623 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 136.9 | -179 | -27.9 | 36.3 | 0 | 0 | 0 | 112.9 | I1390 G1394 D1397 | I1390-P1392 WeakPolarHBondContact O-CD 3.44Å; P1392-G1394 PolarHBondContact O-N 3.27Å; P1392-G1394 VanDerWaalsContact O-N 3.12Å; P1392-D1397 WeakPolarHBondContact CA-OD2 3.43Å |
| 1393 | N | 85.1 | Confident | 89.8 | Confident | 125 Ų | 125 | 57.1 Ų | 57.1 | 67% | 0.668 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 6.6 | -170.2 | -55.7 | -77.8 | 0 | 0 | 0 | 115.5 | V1391 D1397 Q1398 | V1391-N1393 PolarHBondContact O-N 2.77Å; N1393-D1397 PolarHBondContact N-OD2 3.24Å; N1393-Q1398 PolarHBondContact O-NE2 2.95Å |
| 1394 | G | 84.9 | Confident | 90.2 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -74 | 171.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1391 P1392 A1396 D1397 Q1398 | V1391-G1394 WeakPolarHBondContact O-CA 3.44Å; V1391-G1394 PolarHBondContact O-N 2.92Å; P1392-G1394 PolarHBondContact O-N 3.27Å; P1392-G1394 VanDerWaalsContact O-N 3.12Å; G1394-A1396 VanDerWaalsContact C-N 3.33Å; G1394-A1396 PolarHBondContact O-N 2.71Å; G1394-D1397 WeakPolarHBondContact O-CB 3.48Å; G1394-D1397 PolarHBondContact O-N 2.77Å; G1394-Q1398 PolarHBondContact O-N 3.43Å |
| 1395 | A | 87.2 | Confident | 90.3 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.2 | -41.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L1361 K1362 I1364 D1399 | L1361-A1395 HydrophobicContact CD2-CB 4.13Å; K1362-A1395 VanDerWaalsContact O-CB 3.27Å; K1362-A1395 WeakPolarHBondContact O-CB 3.45Å; I1364-A1395 HydrophobicContact CB-CB 4.23Å; I1364-A1395 HydrophobicContact CD1-CB 4.29Å; I1364-A1395 HydrophobicContact CG1-CB 3.97Å; A1395-D1399 VanDerWaalsContact O-CB 3.3Å; A1395-D1399 WeakPolarHBondContact O-CB 3.43Å; A1395-D1399 PolarHBondContact O-N 2.81Å |
| 1396 | A | 90.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.9 | -26.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1361 L1368 L1370 I1390 G1394 G1400 L1402 | L1361-A1396 HydrophobicContact CD2-CB 4Å; L1368-A1396 VanDerWaalsContact O-CB 3.28Å; L1368-A1396 WeakPolarHBondContact O-CB 3.5Å; L1368-A1396 PolarHBondContact O-N 2.85Å; L1370-A1396 HydrophobicContact CD1-CB 4.41Å; L1370-A1396 HydrophobicContact CD2-CB 3.33Å; L1370-A1396 HydrophobicContact CG-CB 3.66Å; I1390-A1396 HydrophobicContact CG2-CB 3.99Å; G1394-A1396 VanDerWaalsContact C-N 3.33Å; G1394-A1396 PolarHBondContact O-N 2.71Å; A1396-G1400 PolarHBondContact O-N 2.83Å; A1396-L1402 HydrophobicContact CB-CD1 4.06Å |
| 1397 | D | 90.8 | Very high | 90.4 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75.2 | -45.8 | 175.9 | -166.2 | 47.7 | 0 | 0 | 0 | 110.4 | I1390 V1391 P1392 N1393 G1394 D1399 G1400 | I1390-D1397 HydrophobicContact CG2-CB 3.85Å; V1391-D1397 WeakPolarHBondContact O-CB 3.17Å; P1392-D1397 WeakPolarHBondContact CA-OD2 3.43Å; N1393-D1397 PolarHBondContact N-OD2 3.24Å; G1394-D1397 WeakPolarHBondContact O-CB 3.48Å; G1394-D1397 PolarHBondContact O-N 2.77Å; D1397-D1399 VanDerWaalsContact C-N 3.28Å; D1397-D1399 PolarHBondContact O-N 2.83Å; D1397-G1400 WeakPolarHBondContact O-CA 3.27Å; D1397-G1400 PolarHBondContact O-N 3.01Å; D1397-G1400 VanDerWaalsContact O-N 3.09Å |
| 1398 | Q | 86.3 | Confident | 90.4 | Very high | 131 Ų | 131 | 54.3 Ų | 54.3 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.1 | -27.4 | 174.3 | -63.9 | -169.9 | 29.5 | 0 | 0 | 113.1 | I1364 N1393 G1394 | I1364-Q1398 HydrophobicContact CD1-CB 4.38Å; I1364-Q1398 HydrophobicContact CD1-CG 4.22Å; N1393-Q1398 PolarHBondContact O-NE2 2.95Å; G1394-Q1398 PolarHBondContact O-N 3.43Å |
| 1399 | D | 88.4 | Confident | 90.4 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -76.1 | -31.4 | 170.6 | -173.1 | -95 | 0 | 0 | 0 | 112.6 | L1361 A1395 D1397 R1401 | L1361-D1399 HydrophobicContact CD1-CB 3.71Å; A1395-D1399 VanDerWaalsContact O-CB 3.3Å; A1395-D1399 WeakPolarHBondContact O-CB 3.43Å; A1395-D1399 PolarHBondContact O-N 2.81Å; D1397-D1399 VanDerWaalsContact C-N 3.28Å; D1397-D1399 PolarHBondContact O-N 2.83Å; D1399-R1401 PolarHBondContact O-N 3.32Å; D1399-R1401 WeakPolarHBondContact OD1-CB 3.46Å; D1399-R1401 IonicContact OD1-CZ 3.31Å; D1399-R1401 IonicContact OD1-NE 2.7Å; D1399-R1401 PolarHBondContact OD1-NE 2.85Å; D1399-R1401 IonicContact OD1-NH2 3Å; D1399-R1401 PolarHBondContact OD1-NH2 3.42Å; D1399-R1401 IonicContact OD2-CZ 3.39Å; D1399-R1401 IonicContact OD2-NE 3.24Å; D1399-R1401 PolarHBondContact OD2-NE 2.87Å; D1399-R1401 IonicContact OD2-NH2 3.89Å; D1399-R1401 PolarHBondContact OD2-NH2 3.28Å |
| 1400 | G | 89.4 | Confident | 90.4 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | trans | 66.4 | -11.3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.9 | A1396 D1397 | A1396-G1400 PolarHBondContact O-N 2.83Å; D1397-G1400 WeakPolarHBondContact O-CA 3.27Å; D1397-G1400 PolarHBondContact O-N 3.01Å; D1397-G1400 VanDerWaalsContact O-N 3.09Å | ||
| 1401 | R | 91.3 | Very high | 90.2 | Very high | 121 Ų | 121 | 45.6 Ų | 45.6 | 46% | 0.457 | 25% | 0.249 | S | C | . | . | trans | -79.1 | -27.1 | -175.8 | -63 | 178.6 | -70.1 | -178.6 | -7.6 | 113.4 | I1359 F1360 D1399 K1444 | I1359-R1401 HydrophobicContact CD1-CB 3.84Å; F1360-R1401 PolarHBondContact O-NH2 3.2Å; D1399-R1401 PolarHBondContact O-N 3.32Å; D1399-R1401 WeakPolarHBondContact OD1-CB 3.46Å; D1399-R1401 IonicContact OD1-CZ 3.31Å; D1399-R1401 IonicContact OD1-NE 2.7Å; D1399-R1401 PolarHBondContact OD1-NE 2.85Å; D1399-R1401 IonicContact OD1-NH2 3Å; D1399-R1401 PolarHBondContact OD1-NH2 3.42Å; D1399-R1401 IonicContact OD2-CZ 3.39Å; D1399-R1401 IonicContact OD2-NE 3.24Å; D1399-R1401 PolarHBondContact OD2-NE 2.87Å; D1399-R1401 IonicContact OD2-NH2 3.89Å; D1399-R1401 PolarHBondContact OD2-NH2 3.28Å; R1401-K1444 PolarHBondContact O-NZ 3.09Å | ||
| 1402 | L | 93.2 | Very high | 90 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | trans | -83.6 | 147.9 | 179.3 | -66.8 | 177.5 | 0 | 0 | 0 | 111.3 | I1359 L1361 L1370 I1387 I1390 A1396 I1442 | I1359-L1402 HydrophobicContact CD1-CD2 3.62Å; I1359-L1402 HydrophobicContact CD1-CG 4.24Å; L1361-L1402 HydrophobicContact CD1-CD1 3.97Å; L1370-L1402 HydrophobicContact CD1-CD1 3.73Å; L1370-L1402 HydrophobicContact CD2-CD1 3.88Å; L1370-L1402 HydrophobicContact CG-CD1 4.33Å; I1387-L1402 HydrophobicContact CD1-CB 3.99Å; I1387-L1402 HydrophobicContact CD1-CD1 4.08Å; I1387-L1402 HydrophobicContact CD1-CD2 3.87Å; I1387-L1402 HydrophobicContact CD1-CG 4.21Å; I1390-L1402 VanDerWaalsContact CD1-C 3.41Å; I1390-L1402 HydrophobicContact CD1-CB 3.98Å; I1390-L1402 WeakPolarHBondContact CD1-O 3.49Å; A1396-L1402 HydrophobicContact CB-CD1 4.06Å; L1402-I1442 HydrophobicContact CD2-CD1 3.84Å; L1402-I1442 HydrophobicContact CD2-CG1 3.98Å; L1402-I1442 HydrophobicContact CD2-CG2 4.35Å | ||
| 1403 | K | 92.5 | Very high | 89.6 | Confident | 139 Ų | 139 | 43.5 Ų | 43.5 | 60% | 0.604 | 23% | 0.231 | S | C | * | . | trans | -142.6 | 153.6 | 175.5 | -62.4 | -166.4 | 178.7 | -165.6 | 0 | 112.3 | G1405 D1406 | K1403-G1405 PolarHBondContact O-N 3.17Å; K1403-D1406 PolarHBondContact N-OD2 3.21Å; K1403-D1406 VanDerWaalsContact O-CB 3.24Å; K1403-D1406 WeakPolarHBondContact O-CB 3.46Å; K1403-D1406 VanDerWaalsContact O-CG 3.23Å; K1403-D1406 PolarHBondContact O-N 2.77Å; K1403-D1406 VanDerWaalsContact O-N 3.16Å | ||
| 1404 | T | 91.6 | Very high | 89.5 | Confident | 53 Ų | 53 | 38.4 Ų | 38.4 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 131.8 | 170.4 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | I1387 K1388 I1456 K1457 | I1387-T1404 WeakPolarHBondContact O-CA 3.29Å; K1388-T1404 WeakPolarHBondContact O-CG2 3.38Å; K1388-T1404 PolarHBondContact O-OG1 2.57Å; T1404-I1456 HydrophobicContact CG2-CG2 3.97Å; T1404-K1457 HydrophobicContact CG2-CG 4.42Å |
| 1405 | G | 91 | Very high | 89.6 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -4.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I1387 K1403 K1445 A1446 A1447 | I1387-G1405 PolarHBondContact O-N 3.1Å; K1403-G1405 PolarHBondContact O-N 3.17Å; G1405-K1445 CarbonylContact O-C 3.48Å; G1405-A1446 PolarHBondContact O-N 3.24Å; G1405-A1446 VanDerWaalsContact O-N 3.16Å; G1405-A1447 VanDerWaalsContact O-CB 3.3Å; G1405-A1447 WeakPolarHBondContact O-CB 3.43Å; G1405-A1447 PolarHBondContact O-N 3.49Å |
| 1406 | D | 95.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | trans | -69.8 | 145.1 | 164.4 | -72.6 | -11.5 | 0 | 0 | 0 | 110.7 | Y1386 I1387 K1403 I1442 A1443 K1444 K1445 | Y1386-D1406 CarbonylContact C-O 3.55Å; Y1386-D1406 VanDerWaalsContact CA-O 3.3Å; Y1386-D1406 WeakPolarHBondContact CA-O 3.3Å; I1387-D1406 HydrophobicContact CD1-CB 4.17Å; I1387-D1406 PolarHBondContact N-O 3.47Å; K1403-D1406 PolarHBondContact N-OD2 3.21Å; K1403-D1406 VanDerWaalsContact O-CB 3.24Å; K1403-D1406 WeakPolarHBondContact O-CB 3.46Å; K1403-D1406 VanDerWaalsContact O-CG 3.23Å; K1403-D1406 PolarHBondContact O-N 2.77Å; K1403-D1406 VanDerWaalsContact O-N 3.16Å; D1406-I1442 HydrophobicContact CB-CG2 3.65Å; D1406-A1443 WeakPolarHBondContact CA-O 3.31Å; D1406-K1444 VanDerWaalsContact OD1-CA 3.3Å; D1406-K1444 WeakPolarHBondContact OD1-CA 3.36Å; D1406-K1444 WeakPolarHBondContact OD1-CD 3.12Å; D1406-K1444 VanDerWaalsContact OD2-CD 3.27Å; D1406-K1444 WeakPolarHBondContact OD2-CD 3.36Å; D1406-K1444 IonicContact OD2-NZ 2.69Å; D1406-K1444 PolarHBondContact OD2-NZ 3.25Å; D1406-K1445 PolarHBondContact OD1-N 3.03Å | ||
| 1407 | Q | 93.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.5 | 175.1 | -176.6 | -169.4 | -9.2 | 0 | 0 | 111.1 | I1385 Y1386 L1409 I1442 A1443 A1446 H1450 | I1385-Q1407 CarbonylContact O-C 3.57Å; I1385-Q1407 VanDerWaalsContact O-CA 3.3Å; I1385-Q1407 WeakPolarHBondContact O-CA 3.31Å; I1385-Q1407 VanDerWaalsContact O-CG 3.3Å; I1385-Q1407 WeakPolarHBondContact O-CG 3.43Å; Y1386-Q1407 HydrophobicContact CD1-CB 3.7Å; Y1386-Q1407 HydrophobicContact CD1-CG 4.16Å; Y1386-Q1407 HydrophobicContact CE1-CB 3.74Å; Y1386-Q1407 HydrophobicContact CE1-CG 3.98Å; Y1386-Q1407 HydrophobicContact CG-CB 4.44Å; Q1407-L1409 HydrophobicContact CB-CD2 4.41Å; Q1407-L1409 HydrophobicContact CG-CD2 3.86Å; Q1407-I1442 CarbonylContact O-C 3.18Å; Q1407-I1442 VanDerWaalsContact O-CA 3.23Å; Q1407-I1442 WeakPolarHBondContact O-CA 3.4Å; Q1407-A1443 HydrophobicContact CB-CB 4.4Å; Q1407-A1443 PolarHBondContact N-O 2.95Å; Q1407-A1443 PolarHBondContact O-N 3.16Å; Q1407-A1446 HydrophobicContact CB-CB 3.28Å; Q1407-A1446 HydrophobicContact CG-CB 4.45Å; Q1407-H1450 PolarHBondContact OE1-CE1 3.01Å |
| 1408 | I | 94.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.4 | 172.9 | -47.7 | 167.1 | 0 | 0 | 0 | 108.2 | I1372 I1385 I1387 L1416 M1440 I1442 | I1372-I1408 HydrophobicContact CG2-CD1 3.91Å; I1385-I1408 HydrophobicContact CG2-CD1 4.47Å; I1385-I1408 PolarHBondContact O-N 3.19Å; I1387-I1408 HydrophobicContact CG1-CD1 4.42Å; I1387-I1408 HydrophobicContact CG1-CG1 4.33Å; I1408-L1416 HydrophobicContact CB-CD1 4.19Å; I1408-L1416 HydrophobicContact CG2-CD1 3.74Å; I1408-M1440 HydrophobicContact CB-CE 4.4Å; I1408-M1440 HydrophobicContact CD1-CE 3.58Å; I1408-M1440 HydrophobicContact CG1-CE 3.8Å; I1408-M1440 HydrophobicContact CG2-CE 3.68Å; I1408-I1442 HydrophobicContact CG1-CG1 4.38Å |
| 1409 | L | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -41.9 | -180 | -53.4 | -171.7 | 0 | 0 | 0 | 111.8 | L1345 A1349 I1356 Q1407 N1415 L1416 I1417 I1441 A1443 | L1345-L1409 HydrophobicContact CB-CD1 4.07Å; A1349-L1409 HydrophobicContact CB-CD1 4.44Å; A1349-L1409 HydrophobicContact CB-CD2 3.74Å; I1356-L1409 HydrophobicContact CD1-CD1 3.53Å; I1356-L1409 HydrophobicContact CG1-CD1 3.94Å; I1356-L1409 HydrophobicContact CG2-CD1 4.45Å; Q1407-L1409 HydrophobicContact CB-CD2 4.41Å; Q1407-L1409 HydrophobicContact CG-CD2 3.86Å; L1409-N1415 PolarHBondContact O-OD1 2.85Å; L1409-N1415 VanDerWaalsContact O-OD1 3.05Å; L1409-L1416 PolarHBondContact O-N 3.04Å; L1409-I1417 HydrophobicContact CB-CD1 4.41Å; L1409-I1417 HydrophobicContact CB-CG1 4.38Å; L1409-I1417 HydrophobicContact CD2-CD1 4.22Å; L1409-I1417 HydrophobicContact CD2-CG1 4.03Å; L1409-I1441 HydrophobicContact CB-CG2 4.35Å; L1409-I1441 HydrophobicContact CD1-CG2 4.46Å; L1409-I1441 PolarHBondContact N-O 3.13Å; L1409-A1443 HydrophobicContact CD1-CB 4.1Å; L1409-A1443 HydrophobicContact CD2-CB 4.21Å; L1409-A1443 HydrophobicContact CG-CB 4.22Å |
| 1410 | I | 91.2 | Very high | 88.3 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.9 | 178.5 | -58.1 | -172.1 | 0 | 0 | 0 | 109.3 | L1337 L1345 G1412 T1414 N1415 M1440 I1441 | L1337-I1410 HydrophobicContact CD1-CG2 4.18Å; L1337-I1410 HydrophobicContact CD2-CG2 4Å; L1345-I1410 HydrophobicContact CD1-CD1 3.67Å; L1345-I1410 HydrophobicContact CD1-CG1 4.29Å; L1345-I1410 HydrophobicContact CD2-CD1 3.98Å; L1345-I1410 HydrophobicContact CD2-CG1 4.24Å; L1345-I1410 HydrophobicContact CG-CD1 4.47Å; I1410-G1412 WeakPolarHBondContact CG2-O 3.31Å; I1410-T1414 WeakPolarHBondContact CA-O 3.29Å; I1410-N1415 HydrophobicContact CG1-CB 4.47Å; I1410-M1440 CarbonylContact O-C 3.32Å; I1410-M1440 WeakPolarHBondContact O-CA 3.03Å; I1410-I1441 HydrophobicContact CB-CB 4.14Å; I1410-I1441 HydrophobicContact CB-CD1 4.26Å; I1410-I1441 HydrophobicContact CD1-CD1 4.06Å; I1410-I1441 HydrophobicContact CG1-CD1 4.45Å; I1410-I1441 PolarHBondContact N-O 3.33Å; I1410-I1441 PolarHBondContact O-N 3.23Å |
| 1411 | I | 87.2 | Confident | 88.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128 | 164.5 | -169.5 | 162.2 | 0 | 0 | 0 | 110.9 | N1413 T1414 L1416 I1428 Q1431 I1438 M1440 | I1411-N1413 PolarHBondContact O-N 3.34Å; I1411-T1414 PolarHBondContact N-O 3.12Å; I1411-T1414 WeakPolarHBondContact O-CB 3.39Å; I1411-T1414 PolarHBondContact O-N 3.25Å; I1411-L1416 HydrophobicContact CB-CD1 4.4Å; I1411-L1416 HydrophobicContact CG2-CD1 3.88Å; I1411-L1416 HydrophobicContact CG2-CD2 4.17Å; I1411-L1416 HydrophobicContact CG2-CG 4.17Å; I1411-I1428 HydrophobicContact CD1-CB 4.16Å; I1411-I1428 HydrophobicContact CD1-CG1 3.8Å; I1411-I1428 HydrophobicContact CD1-CG2 3.95Å; I1411-I1428 HydrophobicContact CG2-CG1 3.9Å; I1411-Q1431 HydrophobicContact CG2-CG 4.43Å; I1411-I1438 HydrophobicContact CD1-CD1 4.08Å; I1411-I1438 HydrophobicContact CD1-CG2 3.84Å; I1411-I1438 HydrophobicContact CG1-CG2 3.46Å; I1411-I1438 VanDerWaalsContact CG1-CG2 3.46Å; I1411-M1440 HydrophobicContact CB-CG 4.41Å; I1411-M1440 HydrophobicContact CD1-CE 4.4Å; I1411-M1440 HydrophobicContact CD1-CG 3.96Å; I1411-M1440 HydrophobicContact CD1-SD 4.27Å; I1411-M1440 HydrophobicContact CG1-CG 3.85Å |
| 1412 | G | 83.7 | Confident | 87.5 | Confident | 6 Ų | 6 | 31 Ų | 31 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | -127.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1410 T1414 Q1439 | I1410-G1412 WeakPolarHBondContact CG2-O 3.31Å; G1412-T1414 VanDerWaalsContact C-N 3.31Å; G1412-T1414 PolarHBondContact O-N 3.15Å; G1412-Q1439 PolarHBondContact N-O 2.93Å |
| 1413 | N | 79.5 | Confident | 86.9 | Confident | 113 Ų | 113 | 34.6 Ų | 34.6 | 60% | 0.604 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 19.9 | 177 | -69.8 | -7.5 | 0 | 0 | 0 | 114.3 | P1335 I1411 | P1335-N1413 WeakPolarHBondContact CB-ND2 3.43Å; P1335-N1413 WeakPolarHBondContact CB-OD1 3.33Å; P1335-N1413 WeakPolarHBondContact CG-OD1 3.43Å; I1411-N1413 PolarHBondContact O-N 3.34Å |
| 1414 | T | 83.7 | Confident | 86.4 | Confident | 18 Ų | 18 | 28 Ų | 28 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 112.1 | -167 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | I1410 I1411 G1412 K1427 Q1431 | I1410-T1414 WeakPolarHBondContact CA-O 3.29Å; I1411-T1414 PolarHBondContact N-O 3.12Å; I1411-T1414 WeakPolarHBondContact O-CB 3.39Å; I1411-T1414 PolarHBondContact O-N 3.25Å; G1412-T1414 VanDerWaalsContact C-N 3.31Å; G1412-T1414 PolarHBondContact O-N 3.15Å; T1414-K1427 HydrophobicContact CG2-CB 3.98Å; T1414-K1427 HydrophobicContact CG2-CD 3.6Å; T1414-K1427 HydrophobicContact CG2-CG 3.78Å; T1414-Q1431 PolarHBondContact OG1-NE2 3.25Å |
| 1415 | N | 87.6 | Confident | 86 | Confident | 63 Ų | 63 | 28 Ų | 28 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 136.3 | 171.4 | -169.1 | -12.4 | 0 | 0 | 0 | 110.5 | L1409 I1410 I1417 | L1409-N1415 PolarHBondContact O-OD1 2.85Å; L1409-N1415 VanDerWaalsContact O-OD1 3.05Å; I1410-N1415 HydrophobicContact CG1-CB 4.47Å; N1415-I1417 WeakPolarHBondContact OD1-CB 3.48Å; N1415-I1417 WeakPolarHBondContact OD1-CG1 3.48Å; N1415-I1417 PolarHBondContact OD1-N 3.36Å |
| 1416 | L | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -112.8 | -6.5 | -178.8 | -59.7 | -172.2 | 0 | 0 | 0 | 113.3 | I1385 I1408 L1409 I1411 G1418 C1419 A1424 K1427 I1428 | I1385-L1416 HydrophobicContact CG1-CB 4.22Å; I1408-L1416 HydrophobicContact CB-CD1 4.19Å; I1408-L1416 HydrophobicContact CG2-CD1 3.74Å; L1409-L1416 PolarHBondContact O-N 3.04Å; I1411-L1416 HydrophobicContact CB-CD1 4.4Å; I1411-L1416 HydrophobicContact CG2-CD1 3.88Å; I1411-L1416 HydrophobicContact CG2-CD2 4.17Å; I1411-L1416 HydrophobicContact CG2-CG 4.17Å; L1416-G1418 PolarHBondContact O-N 3.11Å; L1416-C1419 WeakPolarHBondContact O-CB 3.42Å; L1416-C1419 PolarHBondContact O-N 2.97Å; L1416-A1424 HydrophobicContact CD2-CB 4.37Å; L1416-K1427 HydrophobicContact CD2-CB 4.06Å; L1416-K1427 HydrophobicContact CD2-CD 3.97Å; L1416-I1428 HydrophobicContact CD1-CD1 4.22Å; L1416-I1428 HydrophobicContact CD1-CG1 4.2Å | ||
| 1417 | I | 86.6 | Confident | 84.6 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 131.5 | 171.5 | -57.9 | 172.5 | 0 | 0 | 0 | 108.6 | L1345 E1348 A1349 L1382 L1409 N1415 C1419 | L1345-I1417 HydrophobicContact CD2-CD1 3.9Å; E1348-I1417 HydrophobicContact CB-CD1 3.89Å; E1348-I1417 HydrophobicContact CB-CG2 4.46Å; A1349-I1417 HydrophobicContact CB-CD1 4.12Å; L1382-I1417 HydrophobicContact CD1-CG2 4.33Å; L1409-I1417 HydrophobicContact CB-CD1 4.41Å; L1409-I1417 HydrophobicContact CB-CG1 4.38Å; L1409-I1417 HydrophobicContact CD2-CD1 4.22Å; L1409-I1417 HydrophobicContact CD2-CG1 4.03Å; N1415-I1417 WeakPolarHBondContact OD1-CB 3.48Å; N1415-I1417 WeakPolarHBondContact OD1-CG1 3.48Å; N1415-I1417 PolarHBondContact OD1-N 3.36Å; I1417-C1419 PolarHBondContact O-N 2.84Å |
| 1418 | G | 81.9 | Confident | 84.1 | Confident | 32 Ų | 32 | 33.5 Ų | 33.5 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 0 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y1383 L1416 | Y1383-G1418 VanDerWaalsContact O-CA 3.31Å; Y1383-G1418 WeakPolarHBondContact O-CA 3.43Å; Y1383-G1418 PolarHBondContact O-N 3.12Å; L1416-G1418 PolarHBondContact O-N 3.11Å |
| 1419 | C | 81.8 | Confident | 83.3 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 8% | 0.081 | 22% | 0.22 | C | C | . | . | trans | -76.7 | 147.6 | 178.5 | -66 | 0 | 0 | 0 | 0 | 112.4 | L1416 I1417 D1423 K1427 | L1416-C1419 WeakPolarHBondContact O-CB 3.42Å; L1416-C1419 PolarHBondContact O-N 2.97Å; I1417-C1419 PolarHBondContact O-N 2.84Å; C1419-D1423 HydrophobicContact CB-CB 4.25Å; C1419-K1427 PolarHBondContact SG-NZ 2.66Å | ||
| 1420 | A | 77 | Confident | 82.5 | Confident | 38 Ų | 38 | 42 Ų | 42 | 31% | 0.314 | 25% | 0.245 | S | C | . | . | trans | -68.5 | 163 | 166 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1422 D1423 A1424 | A1420-S1422 PolarHBondContact O-N 3.27Å; A1420-D1423 HydrophobicContact CB-CB 4.36Å; A1420-D1423 PolarHBondContact O-N 2.97Å; A1420-A1424 WeakPolarHBondContact O-CB 3.39Å; A1420-A1424 PolarHBondContact O-N 3.31Å | ||
| 1421 | Q | 84.2 | Confident | 81.5 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | -178.7 | -165.2 | 165 | -26.2 | 0 | 0 | 112.2 | I1372 A1374 A1424 V1425 | I1372-Q1421 PolarHBondContact O-NE2 3.41Å; I1372-Q1421 VanDerWaalsContact O-NE2 3.08Å; A1374-Q1421 HydrophobicContact CB-CB 3.69Å; A1374-Q1421 HydrophobicContact CB-CG 4.29Å; Q1421-A1424 PolarHBondContact O-N 3.42Å; Q1421-V1425 VanDerWaalsContact O-CG2 3.31Å; Q1421-V1425 WeakPolarHBondContact O-CG2 3.36Å; Q1421-V1425 PolarHBondContact O-N 3.11Å |
| 1422 | S | 78.2 | Confident | 80.4 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 174.7 | 40 | 0 | 0 | 0 | 0 | 112.3 | A1420 A1424 V1425 A1426 E2274 | A1420-S1422 PolarHBondContact O-N 3.27Å; S1422-A1424 VanDerWaalsContact C-N 3.34Å; S1422-A1424 PolarHBondContact O-N 3.23Å; S1422-V1425 PolarHBondContact O-N 3.16Å; S1422-A1426 WeakPolarHBondContact O-CB 3.46Å; S1422-A1426 PolarHBondContact O-N 2.96Å; S1422-E2274 WeakPolarHBondContact CB-OE1 3.49Å; S1422-E2274 PolarHBondContact OG-OE1 2.9Å |
| 1423 | D | 80.4 | Confident | 79.4 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56 | -47.4 | 172.2 | -80.4 | -33.2 | 0 | 0 | 0 | 111.8 | C1419 A1420 A1426 K1427 | C1419-D1423 HydrophobicContact CB-CB 4.25Å; A1420-D1423 HydrophobicContact CB-CB 4.36Å; A1420-D1423 PolarHBondContact O-N 2.97Å; D1423-A1426 PolarHBondContact O-N 2.64Å; D1423-K1427 VanDerWaalsContact O-CB 3.27Å; D1423-K1427 WeakPolarHBondContact O-CB 3.38Å; D1423-K1427 WeakPolarHBondContact O-CD 3.34Å; D1423-K1427 WeakPolarHBondContact O-CG 3.48Å; D1423-K1427 PolarHBondContact O-N 2.89Å |
| 1424 | A | 82.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -46.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1385 L1416 A1420 Q1421 S1422 A1426 K1427 I1428 | I1385-A1424 HydrophobicContact CD1-CB 3.54Å; I1385-A1424 HydrophobicContact CG1-CB 3.65Å; I1385-A1424 HydrophobicContact CG2-CB 4.22Å; L1416-A1424 HydrophobicContact CD2-CB 4.37Å; A1420-A1424 WeakPolarHBondContact O-CB 3.39Å; A1420-A1424 PolarHBondContact O-N 3.31Å; Q1421-A1424 PolarHBondContact O-N 3.42Å; S1422-A1424 VanDerWaalsContact C-N 3.34Å; S1422-A1424 PolarHBondContact O-N 3.23Å; A1424-A1426 VanDerWaalsContact C-N 3.34Å; A1424-A1426 PolarHBondContact O-N 2.88Å; A1424-K1427 PolarHBondContact O-N 2.87Å; A1424-I1428 VanDerWaalsContact O-CB 3.28Å; A1424-I1428 WeakPolarHBondContact O-CB 3.17Å; A1424-I1428 WeakPolarHBondContact O-CD1 3.47Å; A1424-I1428 WeakPolarHBondContact O-CG1 3.38Å; A1424-I1428 PolarHBondContact O-N 3.08Å |
| 1425 | V | 83 | Confident | 77.5 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 175 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | I1372 Q1421 S1422 S1429 | I1372-V1425 HydrophobicContact CD1-CG2 3.96Å; I1372-V1425 HydrophobicContact CG1-CG2 4.43Å; Q1421-V1425 VanDerWaalsContact O-CG2 3.31Å; Q1421-V1425 WeakPolarHBondContact O-CG2 3.36Å; Q1421-V1425 PolarHBondContact O-N 3.11Å; S1422-V1425 PolarHBondContact O-N 3.16Å; V1425-S1429 VanDerWaalsContact O-CB 3.22Å; V1425-S1429 WeakPolarHBondContact O-CB 3.42Å; V1425-S1429 PolarHBondContact O-N 3.24Å; V1425-S1429 PolarHBondContact O-OG 3.05Å |
| 1426 | A | 77.5 | Confident | 76.5 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1422 D1423 A1424 S1429 K1430 | S1422-A1426 WeakPolarHBondContact O-CB 3.46Å; S1422-A1426 PolarHBondContact O-N 2.96Å; D1423-A1426 PolarHBondContact O-N 2.64Å; A1424-A1426 VanDerWaalsContact C-N 3.34Å; A1424-A1426 PolarHBondContact O-N 2.88Å; A1426-S1429 PolarHBondContact O-N 2.78Å; A1426-K1430 VanDerWaalsContact O-CB 3.31Å; A1426-K1430 WeakPolarHBondContact O-CB 3.36Å; A1426-K1430 PolarHBondContact O-N 2.89Å |
| 1427 | K | 80.9 | Confident | 75.7 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 27% | 0.265 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | 176.5 | -73.8 | 164.8 | 172.5 | 179.4 | 0 | 111.5 | T1414 L1416 C1419 D1423 A1424 S1429 K1430 Q1431 | T1414-K1427 HydrophobicContact CG2-CB 3.98Å; T1414-K1427 HydrophobicContact CG2-CD 3.6Å; T1414-K1427 HydrophobicContact CG2-CG 3.78Å; L1416-K1427 HydrophobicContact CD2-CB 4.06Å; L1416-K1427 HydrophobicContact CD2-CD 3.97Å; C1419-K1427 PolarHBondContact SG-NZ 2.66Å; D1423-K1427 VanDerWaalsContact O-CB 3.27Å; D1423-K1427 WeakPolarHBondContact O-CB 3.38Å; D1423-K1427 WeakPolarHBondContact O-CD 3.34Å; D1423-K1427 WeakPolarHBondContact O-CG 3.48Å; D1423-K1427 PolarHBondContact O-N 2.89Å; A1424-K1427 PolarHBondContact O-N 2.87Å; K1427-S1429 VanDerWaalsContact C-N 3.34Å; K1427-S1429 PolarHBondContact O-N 3.04Å; K1427-K1430 PolarHBondContact O-N 2.97Å; K1427-Q1431 WeakPolarHBondContact O-CG 3.43Å; K1427-Q1431 PolarHBondContact O-N 3.41Å; K1427-Q1431 VanDerWaalsContact O-N 3.08Å |
| 1428 | I | 83.4 | Confident | 75.6 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.2 | -51.4 | 172.5 | -69.8 | 163.2 | 0 | 0 | 0 | 109.5 | L1368 I1372 I1411 L1416 A1424 K1430 Q1431 N1432 | L1368-I1428 HydrophobicContact CD1-CG2 4.12Å; I1372-I1428 HydrophobicContact CD1-CD1 3.49Å; I1372-I1428 VanDerWaalsContact CD1-CD1 3.49Å; I1411-I1428 HydrophobicContact CD1-CB 4.16Å; I1411-I1428 HydrophobicContact CD1-CG1 3.8Å; I1411-I1428 HydrophobicContact CD1-CG2 3.95Å; I1411-I1428 HydrophobicContact CG2-CG1 3.9Å; L1416-I1428 HydrophobicContact CD1-CD1 4.22Å; L1416-I1428 HydrophobicContact CD1-CG1 4.2Å; A1424-I1428 VanDerWaalsContact O-CB 3.28Å; A1424-I1428 WeakPolarHBondContact O-CB 3.17Å; A1424-I1428 WeakPolarHBondContact O-CD1 3.47Å; A1424-I1428 WeakPolarHBondContact O-CG1 3.38Å; A1424-I1428 PolarHBondContact O-N 3.08Å; I1428-K1430 VanDerWaalsContact C-N 3.33Å; I1428-K1430 PolarHBondContact O-N 3.32Å; I1428-Q1431 PolarHBondContact O-N 3.29Å; I1428-N1432 VanDerWaalsContact O-CB 3.28Å; I1428-N1432 WeakPolarHBondContact O-CB 3.46Å; I1428-N1432 PolarHBondContact O-N 2.91Å |
| 1429 | S | 78.3 | Confident | 75.9 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -31.6 | -178.8 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | V1425 A1426 K1427 N1432 | V1425-S1429 VanDerWaalsContact O-CB 3.22Å; V1425-S1429 WeakPolarHBondContact O-CB 3.42Å; V1425-S1429 PolarHBondContact O-N 3.24Å; V1425-S1429 PolarHBondContact O-OG 3.05Å; A1426-S1429 PolarHBondContact O-N 2.78Å; K1427-S1429 VanDerWaalsContact C-N 3.34Å; K1427-S1429 PolarHBondContact O-N 3.04Å; S1429-N1432 PolarHBondContact O-N 2.73Å |
| 1430 | K | 74.7 | Confident | 76.3 | Confident | 120 Ų | 120 | 55.7 Ų | 55.7 | 52% | 0.522 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 174.3 | -176.4 | -177.1 | 177.2 | -176.3 | 0 | 111.3 | E1297 A1426 K1427 I1428 | E1297-K1430 IonicContact OE1-NZ 2.73Å; E1297-K1430 PolarHBondContact OE1-NZ 2.9Å; A1426-K1430 VanDerWaalsContact O-CB 3.31Å; A1426-K1430 WeakPolarHBondContact O-CB 3.36Å; A1426-K1430 PolarHBondContact O-N 2.89Å; K1427-K1430 PolarHBondContact O-N 2.97Å; I1428-K1430 VanDerWaalsContact C-N 3.33Å; I1428-K1430 PolarHBondContact O-N 3.32Å |
| 1431 | Q | 70.4 | Confident | 77 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.1 | -28.8 | 172.6 | -59.6 | -65.6 | -3.3 | 0 | 0 | 111.9 | I1411 T1414 K1427 I1428 K1433 S1434 I1438 | I1411-Q1431 HydrophobicContact CG2-CG 4.43Å; T1414-Q1431 PolarHBondContact OG1-NE2 3.25Å; K1427-Q1431 WeakPolarHBondContact O-CG 3.43Å; K1427-Q1431 PolarHBondContact O-N 3.41Å; K1427-Q1431 VanDerWaalsContact O-N 3.08Å; I1428-Q1431 PolarHBondContact O-N 3.29Å; Q1431-K1433 PolarHBondContact O-N 3Å; Q1431-S1434 PolarHBondContact O-OG 3.43Å; Q1431-I1438 HydrophobicContact CB-CG2 4.27Å |
| 1432 | N | 65.1 | Low | 77.5 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 15.8 | -179.1 | -157 | 13.9 | 0 | 0 | 0 | 114.9 | K1363 I1428 S1429 I1438 | K1363-N1432 WeakPolarHBondContact CD-OD1 3.24Å; K1363-N1432 WeakPolarHBondContact CE-OD1 3.49Å; K1363-N1432 PolarHBondContact NZ-O 2.78Å; I1428-N1432 VanDerWaalsContact O-CB 3.28Å; I1428-N1432 WeakPolarHBondContact O-CB 3.46Å; I1428-N1432 PolarHBondContact O-N 2.91Å; S1429-N1432 PolarHBondContact O-N 2.73Å; N1432-I1438 HydrophobicContact CB-CD1 3.72Å |
| 1433 | K | 62.8 | Low | 78.2 | Confident | 162 Ų | 162 | 48.5 Ų | 48.5 | 70% | 0.704 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -14.2 | 178.2 | -71.5 | -164.8 | 172.6 | -164 | 0 | 114.5 | Q1431 | Q1431-K1433 PolarHBondContact O-N 3Š|
| 1434 | S | 62.9 | Low | 78.9 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | trans | -81.4 | 135.9 | 170.4 | 45.6 | 0 | 0 | 0 | 0 | 111 | K1363 Q1431 G1437 | K1363-S1434 WeakPolarHBondContact CE-O 3.24Å; K1363-S1434 PolarHBondContact NZ-O 3.07Å; Q1431-S1434 PolarHBondContact O-OG 3.43Å; S1434-G1437 PolarHBondContact OG-O 3.24Å | ||
| 1435 | D | 61 | Low | 79.2 | Confident | 121 Ų | 121 | 52.7 Ų | 52.7 | 65% | 0.647 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -79 | -18.7 | -179.6 | -70.1 | -30.9 | 0 | 0 | 0 | 113.9 | K1363 G1437 | K1363-D1435 IonicContact NZ-OD1 2.7Å; D1435-G1437 VanDerWaalsContact C-N 3.32Å; D1435-G1437 PolarHBondContact O-N 3.46Å |
| 1436 | D | 65.4 | Low | 79.6 | Confident | 115 Ų | 115 | 50.1 Ų | 50.1 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -68.3 | -26.5 | -177.8 | -65.8 | -60.5 | 0 | 0 | 0 | 114.3 | F1360 | F1360-D1436 WeakPolarHBondContact CZ-O 3.45Š|
| 1437 | G | 72.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 129 | -172.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1361 S1434 D1435 | L1361-G1437 CarbonylContact O-C 3.53Å; L1361-G1437 WeakPolarHBondContact O-CA 3.24Å; S1434-G1437 PolarHBondContact OG-O 3.24Å; D1435-G1437 VanDerWaalsContact C-N 3.32Å; D1435-G1437 PolarHBondContact O-N 3.46Å | ||
| 1438 | I | 84.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.9 | -179.7 | -39.8 | 177.6 | 0 | 0 | 0 | 111.4 | F1360 L1361 L1368 I1411 Q1431 N1432 | F1360-I1438 WeakPolarHBondContact CA-O 3.45Å; F1360-I1438 WeakPolarHBondContact CD2-O 3.18Å; L1361-I1438 PolarHBondContact N-O 3.42Å; L1361-I1438 PolarHBondContact O-N 3.32Å; L1368-I1438 HydrophobicContact CD1-CD1 3.93Å; L1368-I1438 HydrophobicContact CD2-CD1 4.01Å; L1368-I1438 HydrophobicContact CD2-CG1 4.34Å; L1368-I1438 HydrophobicContact CG-CD1 4.46Å; I1411-I1438 HydrophobicContact CD1-CD1 4.08Å; I1411-I1438 HydrophobicContact CD1-CG2 3.84Å; I1411-I1438 HydrophobicContact CG1-CG2 3.46Å; I1411-I1438 VanDerWaalsContact CG1-CG2 3.46Å; Q1431-I1438 HydrophobicContact CB-CG2 4.27Å; N1432-I1438 HydrophobicContact CB-CD1 3.72Å |
| 1439 | Q | 86.8 | Confident | 80.6 | Confident | 30 Ų | 30 | 54.3 Ų | 54.3 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 140.6 | 170.5 | -155.7 | -179.3 | 52.2 | 0 | 0 | 111.2 | L1334 P1335 L1337 Q1358 I1359 F1360 G1412 | L1334-Q1439 HydrophobicContact CD2-CB 4.19Å; P1335-Q1439 PolarHBondContact O-OE1 2.89Å; L1337-Q1439 HydrophobicContact CD1-CB 4.35Å; L1337-Q1439 HydrophobicContact CD1-CG 4.17Å; Q1358-Q1439 HydrophobicContact CG-CG 4.36Å; I1359-Q1439 CarbonylContact O-C 3.54Å; I1359-Q1439 WeakPolarHBondContact O-CA 3.11Å; F1360-Q1439 HydrophobicContact CD2-CB 4.4Å; G1412-Q1439 PolarHBondContact N-O 2.93Å |
| 1440 | M | 90.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.8 | -172.6 | -61.9 | 171.1 | 70.9 | 0 | 0 | 110.6 | Q1358 I1359 L1370 I1408 I1410 I1411 I1442 | Q1358-M1440 WeakPolarHBondContact CA-O 3.32Å; I1359-M1440 PolarHBondContact N-O 2.8Å; I1359-M1440 PolarHBondContact O-N 2.86Å; L1370-M1440 HydrophobicContact CD1-CE 4.39Å; I1408-M1440 HydrophobicContact CB-CE 4.4Å; I1408-M1440 HydrophobicContact CD1-CE 3.58Å; I1408-M1440 HydrophobicContact CG1-CE 3.8Å; I1408-M1440 HydrophobicContact CG2-CE 3.68Å; I1410-M1440 CarbonylContact O-C 3.32Å; I1410-M1440 WeakPolarHBondContact O-CA 3.03Å; I1411-M1440 HydrophobicContact CB-CG 4.41Å; I1411-M1440 HydrophobicContact CD1-CE 4.4Å; I1411-M1440 HydrophobicContact CD1-CG 3.96Å; I1411-M1440 HydrophobicContact CD1-SD 4.27Å; I1411-M1440 HydrophobicContact CG1-CG 3.85Å; M1440-I1442 HydrophobicContact CB-CD1 3.46Å; M1440-I1442 VanDerWaalsContact CB-CD1 3.46Å; M1440-I1442 HydrophobicContact CE-CD1 4.26Å |
| 1441 | I | 92.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.5 | 166.4 | -67.4 | 163 | 0 | 0 | 0 | 108.7 | L1337 A1340 F1342 L1345 I1356 T1357 Q1358 L1409 I1410 | L1337-I1441 HydrophobicContact CB-CD1 3.99Å; L1337-I1441 HydrophobicContact CD1-CD1 4.01Å; L1337-I1441 HydrophobicContact CD1-CG1 4.12Å; L1337-I1441 HydrophobicContact CD2-CD1 4.18Å; L1337-I1441 HydrophobicContact CG-CD1 4.3Å; A1340-I1441 HydrophobicContact CB-CD1 3.31Å; F1342-I1441 HydrophobicContact CD1-CG2 4.31Å; F1342-I1441 HydrophobicContact CE1-CD1 3.85Å; F1342-I1441 HydrophobicContact CE1-CG1 4.11Å; F1342-I1441 HydrophobicContact CE1-CG2 4.08Å; L1345-I1441 HydrophobicContact CD1-CD1 4.46Å; I1356-I1441 HydrophobicContact CG2-CG2 3.34Å; T1357-I1441 WeakPolarHBondContact O-CA 3.48Å; Q1358-I1441 HydrophobicContact CB-CG1 4.47Å; Q1358-I1441 HydrophobicContact CG-CG1 4.34Å; L1409-I1441 HydrophobicContact CB-CG2 4.35Å; L1409-I1441 HydrophobicContact CD1-CG2 4.46Å; L1409-I1441 PolarHBondContact N-O 3.13Å; I1410-I1441 HydrophobicContact CB-CB 4.14Å; I1410-I1441 HydrophobicContact CB-CD1 4.26Å; I1410-I1441 HydrophobicContact CD1-CD1 4.06Å; I1410-I1441 HydrophobicContact CG1-CD1 4.45Å; I1410-I1441 PolarHBondContact N-O 3.33Å; I1410-I1441 PolarHBondContact O-N 3.23Å |
| 1442 | I | 93.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 128.6 | -171.1 | -68.7 | 104.1 | 0 | 0 | 0 | 110.9 | I1356 T1357 I1359 L1402 D1406 Q1407 I1408 M1440 K1444 | I1356-I1442 CarbonylContact C-O 3.51Å; I1356-I1442 WeakPolarHBondContact CA-O 3.08Å; T1357-I1442 PolarHBondContact N-O 3.27Å; T1357-I1442 PolarHBondContact O-N 2.9Å; T1357-I1442 PolarHBondContact OG1-O 3.32Å; I1359-I1442 HydrophobicContact CB-CD1 3.93Å; I1359-I1442 HydrophobicContact CD1-CD1 4.27Å; I1359-I1442 HydrophobicContact CG1-CD1 4.43Å; L1402-I1442 HydrophobicContact CD2-CD1 3.84Å; L1402-I1442 HydrophobicContact CD2-CG1 3.98Å; L1402-I1442 HydrophobicContact CD2-CG2 4.35Å; D1406-I1442 HydrophobicContact CB-CG2 3.65Å; Q1407-I1442 CarbonylContact O-C 3.18Å; Q1407-I1442 VanDerWaalsContact O-CA 3.23Å; Q1407-I1442 WeakPolarHBondContact O-CA 3.4Å; I1408-I1442 HydrophobicContact CG1-CG1 4.38Å; M1440-I1442 HydrophobicContact CB-CD1 3.46Å; M1440-I1442 VanDerWaalsContact CB-CD1 3.46Å; M1440-I1442 HydrophobicContact CE-CD1 4.26Å; I1442-K1444 HydrophobicContact CG2-CD 4.3Å |
| 1443 | A | 94.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 112.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1351 I1356 D1406 Q1407 L1409 A1446 | V1351-A1443 HydrophobicContact CG1-CB 4.36Å; V1351-A1443 HydrophobicContact CG2-CB 3.9Å; I1356-A1443 HydrophobicContact CG1-CB 4.23Å; D1406-A1443 WeakPolarHBondContact CA-O 3.31Å; Q1407-A1443 HydrophobicContact CB-CB 4.4Å; Q1407-A1443 PolarHBondContact N-O 2.95Å; Q1407-A1443 PolarHBondContact O-N 3.16Å; L1409-A1443 HydrophobicContact CD1-CB 4.1Å; L1409-A1443 HydrophobicContact CD2-CB 4.21Å; L1409-A1443 HydrophobicContact CG-CB 4.22Å; A1443-A1446 HydrophobicContact CB-CB 3.99Å; A1443-A1446 PolarHBondContact O-N 3.49Å |
| 1444 | K | 94 | Very high | 83.9 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 132.2 | -179.6 | -65.6 | -65 | 173.3 | -174.9 | 0 | 111.8 | S1355 T1357 R1401 D1406 I1442 A1446 | S1355-K1444 WeakPolarHBondContact CB-O 3.32Å; S1355-K1444 VanDerWaalsContact O-CB 3.31Å; S1355-K1444 WeakPolarHBondContact O-CB 3.39Å; S1355-K1444 WeakPolarHBondContact O-CG 3.37Å; S1355-K1444 PolarHBondContact O-N 3.44Å; T1357-K1444 HydrophobicContact CG2-CG 3.79Å; T1357-K1444 WeakPolarHBondContact OG1-CE 3.25Å; R1401-K1444 PolarHBondContact O-NZ 3.09Å; D1406-K1444 VanDerWaalsContact OD1-CA 3.3Å; D1406-K1444 WeakPolarHBondContact OD1-CA 3.36Å; D1406-K1444 WeakPolarHBondContact OD1-CD 3.12Å; D1406-K1444 VanDerWaalsContact OD2-CD 3.27Å; D1406-K1444 WeakPolarHBondContact OD2-CD 3.36Å; D1406-K1444 IonicContact OD2-NZ 2.69Å; D1406-K1444 PolarHBondContact OD2-NZ 3.25Å; I1442-K1444 HydrophobicContact CG2-CD 4.3Å; K1444-A1446 PolarHBondContact O-N 3.1Å |
| 1445 | K | 90.1 | Very high | 84.6 | Confident | 128 Ų | 128 | 58.9 Ų | 58.9 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 27.5 | -177.3 | -46.1 | 179.1 | -177.6 | -179 | 0 | 113.7 | G1405 D1406 A1447 Q1448 | G1405-K1445 CarbonylContact O-C 3.48Å; D1406-K1445 PolarHBondContact OD1-N 3.03Å; K1445-A1447 PolarHBondContact O-N 3.33Å; K1445-Q1448 HydrophobicContact CB-CB 4.19Å; K1445-Q1448 WeakPolarHBondContact O-CA 3.48Å; K1445-Q1448 WeakPolarHBondContact O-CB 3.49Å; K1445-Q1448 PolarHBondContact O-N 2.84Å |
| 1446 | A | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -48 | -46.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1351 Y1386 G1405 Q1407 A1443 K1444 Q1448 Y1449 H1450 | V1351-A1446 HydrophobicContact CG1-CB 4.2Å; Y1386-A1446 HydrophobicContact CD1-CB 4.22Å; Y1386-A1446 HydrophobicContact CE1-CB 3.84Å; G1405-A1446 PolarHBondContact O-N 3.24Å; G1405-A1446 VanDerWaalsContact O-N 3.16Å; Q1407-A1446 HydrophobicContact CB-CB 3.28Å; Q1407-A1446 HydrophobicContact CG-CB 4.45Å; A1443-A1446 HydrophobicContact CB-CB 3.99Å; A1443-A1446 PolarHBondContact O-N 3.49Å; K1444-A1446 PolarHBondContact O-N 3.1Å; A1446-Q1448 PolarHBondContact O-N 2.98Å; A1446-Y1449 PolarHBondContact O-N 3.43Å; A1446-H1450 PolarHBondContact O-N 2.92Å; A1446-H1450 PolarHBondContact O-ND1 2.9Å |
| 1447 | A | 89.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.5 | -27 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1386 G1405 K1445 K1451 I1452 V1453 I1456 | Y1386-A1447 HydrophobicContact CD1-CB 4.22Å; G1405-A1447 VanDerWaalsContact O-CB 3.3Å; G1405-A1447 WeakPolarHBondContact O-CB 3.43Å; G1405-A1447 PolarHBondContact O-N 3.49Å; K1445-A1447 PolarHBondContact O-N 3.33Å; A1447-K1451 CarbonylContact O-C 3.49Å; A1447-K1451 PolarHBondContact O-N 3.31Å; A1447-K1451 VanDerWaalsContact O-N 3.12Å; A1447-I1452 HydrophobicContact CB-CG1 4.04Å; A1447-I1452 PolarHBondContact O-N 3.31Å; A1447-V1453 VanDerWaalsContact C-CG2 3.47Å; A1447-V1453 HydrophobicContact CB-CG2 4.09Å; A1447-V1453 WeakPolarHBondContact O-CG2 3.44Å; A1447-V1453 PolarHBondContact O-N 3.3Å; A1447-I1456 HydrophobicContact CB-CD1 3.64Å |
| 1448 | Q | 87.7 | Confident | 84.7 | Confident | 118 Ų | 118 | 57.9 Ų | 57.9 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -76.3 | -40.8 | 176 | -166.9 | 177.5 | 1.4 | 0 | 0 | 112.1 | K1445 A1446 H1450 K1451 V1453 | K1445-Q1448 HydrophobicContact CB-CB 4.19Å; K1445-Q1448 WeakPolarHBondContact O-CA 3.48Å; K1445-Q1448 WeakPolarHBondContact O-CB 3.49Å; K1445-Q1448 PolarHBondContact O-N 2.84Å; A1446-Q1448 PolarHBondContact O-N 2.98Å; Q1448-H1450 VanDerWaalsContact C-N 3.3Å; Q1448-K1451 PolarHBondContact O-N 2.9Å; Q1448-V1453 VanDerWaalsContact CA-CG2 3.42Å; Q1448-V1453 HydrophobicContact CB-CG2 3.84Å; Q1448-V1453 HydrophobicContact CG-CG2 4.33Å |
| 1449 | Y | 86.5 | Confident | 82.5 | Confident | 98 Ų | 98 | 68.6 Ų | 68.6 | 38% | 0.384 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 173.5 | -59.8 | -60.8 | 0 | 0 | 0 | 111.6 | V1351 P1352 A1446 K1451 | V1351-Y1449 HydrophobicContact CB-CD2 4.17Å; V1351-Y1449 HydrophobicContact CG1-CD2 4.1Å; P1352-Y1449 HydrophobicContact CG-CD1 3.94Å; P1352-Y1449 HydrophobicContact CG-CE1 3.57Å; P1352-Y1449 HydrophobicContact CG-CE2 4.24Å; P1352-Y1449 HydrophobicContact CG-CG 4.43Å; A1446-Y1449 PolarHBondContact O-N 3.43Å; Y1449-K1451 VanDerWaalsContact C-N 3.33Å |
| 1450 | H | 88.1 | Confident | 79.8 | Confident | 14 Ų | 14 | 73.5 Ų | 73.5 | 7% | 0.065 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.1 | 176.9 | -58 | 126.2 | 0 | 0 | 0 | 114.8 | A1349 N1350 A1377 Y1386 Q1407 A1446 Q1448 I1452 | A1349-H1450 PolarHBondContact O-CE1 2.82Å; A1349-H1450 VanDerWaalsContact O-CE1 3.29Å; A1349-H1450 PolarHBondContact O-NE2 3.42Å; N1350-H1450 PolarHBondContact O-NE2 3.19Å; A1377-H1450 HydrophobicContact CB-CB 4.2Å; Y1386-H1450 AromaticContact CE1-ND1 3.66Å; Y1386-H1450 AromaticContact CZ-ND1 3.81Å; Y1386-H1450 PolarHBondContact OH-ND1 3.19Å; Y1386-H1450 VanDerWaalsContact OH-ND1 3.09Å; Q1407-H1450 PolarHBondContact OE1-CE1 3.01Å; A1446-H1450 PolarHBondContact O-N 2.92Å; A1446-H1450 PolarHBondContact O-ND1 2.9Å; Q1448-H1450 VanDerWaalsContact C-N 3.3Å; H1450-I1452 HydrophobicContact CB-CD1 4.2Å; H1450-I1452 HydrophobicContact CB-CG1 3.95Å; H1450-I1452 PolarHBondContact O-N 2.97Å |
| 1451 | K | 86.1 | Confident | 76.9 | Confident | 192 Ų | 192 | 79.7 Ų | 79.7 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 23.7 | -177.6 | -55.1 | -177.7 | -179.7 | 179.6 | 0 | 115.6 | A1447 Q1448 Y1449 | A1447-K1451 CarbonylContact O-C 3.49Å; A1447-K1451 PolarHBondContact O-N 3.31Å; A1447-K1451 VanDerWaalsContact O-N 3.12Å; Q1448-K1451 PolarHBondContact O-N 2.9Å; Y1449-K1451 VanDerWaalsContact C-N 3.33Å |
| 1452 | I | 86.1 | Confident | 73.8 | Confident | 8 Ų | 8 | 85.1 Ų | 85.1 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | trans | -107.3 | 16.7 | -179 | 61.4 | 173.9 | 0 | 0 | 0 | 113.8 | A1375 A1377 Y1386 A1447 H1450 E1454 L1455 I1456 | A1375-I1452 HydrophobicContact CB-CD1 3.8Å; A1377-I1452 HydrophobicContact CB-CG2 4.31Å; Y1386-I1452 HydrophobicContact CD2-CD1 4.27Å; Y1386-I1452 HydrophobicContact CE1-CD1 4.02Å; Y1386-I1452 HydrophobicContact CE2-CD1 3.75Å; A1447-I1452 HydrophobicContact CB-CG1 4.04Å; A1447-I1452 PolarHBondContact O-N 3.31Å; H1450-I1452 HydrophobicContact CB-CD1 4.2Å; H1450-I1452 HydrophobicContact CB-CG1 3.95Å; H1450-I1452 PolarHBondContact O-N 2.97Å; I1452-E1454 VanDerWaalsContact C-N 3.25Å; I1452-E1454 PolarHBondContact O-N 2.61Å; I1452-L1455 HydrophobicContact CB-CB 4.29Å; I1452-L1455 HydrophobicContact CB-CD1 4.18Å; I1452-L1455 HydrophobicContact CG2-CD1 3.92Å; I1452-L1455 WeakPolarHBondContact O-CB 3.24Å; I1452-L1455 PolarHBondContact O-N 3.32Å; I1452-L1455 VanDerWaalsContact O-N 3.15Å; I1452-I1456 HydrophobicContact CD1-CD1 3.85Å; I1452-I1456 HydrophobicContact CG1-CD1 3.93Å; I1452-I1456 PolarHBondContact O-N 3.39Å; I1452-I1456 VanDerWaalsContact O-N 3.13Å | ||
| 1453 | V | 83.4 | Confident | 70.8 | Confident | 42 Ų | 42 | 92.9 Ų | 92.9 | 26% | 0.255 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.4 | -40.5 | 178.4 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | A1447 Q1448 L1455 I1456 K1457 | A1447-V1453 VanDerWaalsContact C-CG2 3.47Å; A1447-V1453 HydrophobicContact CB-CG2 4.09Å; A1447-V1453 WeakPolarHBondContact O-CG2 3.44Å; A1447-V1453 PolarHBondContact O-N 3.3Å; Q1448-V1453 VanDerWaalsContact CA-CG2 3.42Å; Q1448-V1453 HydrophobicContact CB-CG2 3.84Å; Q1448-V1453 HydrophobicContact CG-CG2 4.33Å; V1453-L1455 VanDerWaalsContact C-N 3.35Å; V1453-I1456 PolarHBondContact O-N 2.97Å; V1453-K1457 HydrophobicContact CG1-CD 3.89Å; V1453-K1457 HydrophobicContact CG1-CG 4.16Å; V1453-K1457 WeakPolarHBondContact O-CB 3.45Å; V1453-K1457 WeakPolarHBondContact O-CG 3.25Å; V1453-K1457 PolarHBondContact O-N 3.47Å |
| 1454 | E | 77 | Confident | 67.6 | Low | 178 Ų | 178 | 98.1 Ų | 98.1 | 83% | 0.832 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74 | -25.2 | -179 | -59.7 | -172.8 | -179.4 | 0 | 0 | 113.1 | I1452 | I1452-E1454 VanDerWaalsContact C-N 3.25Å; I1452-E1454 PolarHBondContact O-N 2.61Å |
| 1455 | L | 78 | Confident | 64.6 | Low | 145 Ų | 145 | 104.6 Ų | 104.6 | 76% | 0.759 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -73.8 | -30.4 | 171.1 | -83.7 | 157.1 | 0 | 0 | 0 | 112.2 | I1452 V1453 | I1452-L1455 HydrophobicContact CB-CB 4.29Å; I1452-L1455 HydrophobicContact CB-CD1 4.18Å; I1452-L1455 HydrophobicContact CG2-CD1 3.92Å; I1452-L1455 WeakPolarHBondContact O-CB 3.24Å; I1452-L1455 PolarHBondContact O-N 3.32Å; I1452-L1455 VanDerWaalsContact O-N 3.15Å; V1453-L1455 VanDerWaalsContact C-N 3.35Å |
| 1456 | I | 79.1 | Confident | 61.6 | Low | 6 Ų | 6 | 105.4 Ų | 105.4 | 3% | 0.031 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -88.9 | -36.6 | -179.1 | -68.7 | 166 | 0 | 0 | 0 | 111.4 | V1373 Y1386 T1404 A1447 I1452 V1453 S1458 | V1373-I1456 HydrophobicContact CG1-CG1 4.22Å; Y1386-I1456 HydrophobicContact CD1-CD1 3.95Å; Y1386-I1456 HydrophobicContact CD2-CD1 4.09Å; Y1386-I1456 HydrophobicContact CG-CD1 3.62Å; T1404-I1456 HydrophobicContact CG2-CG2 3.97Å; A1447-I1456 HydrophobicContact CB-CD1 3.64Å; I1452-I1456 HydrophobicContact CD1-CD1 3.85Å; I1452-I1456 HydrophobicContact CG1-CD1 3.93Å; I1452-I1456 PolarHBondContact O-N 3.39Å; I1452-I1456 VanDerWaalsContact O-N 3.13Å; V1453-I1456 PolarHBondContact O-N 2.97Å; I1456-S1458 PolarHBondContact O-N 3.42Å |
| 1457 | K | 71.1 | Confident | 58.8 | Low | 130 Ų | 130 | 113 Ų | 113 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -79.6 | 93.8 | 173.8 | -71 | -171.3 | 179.5 | -175.5 | 0 | 111 | T1404 V1453 R1459 | T1404-K1457 HydrophobicContact CG2-CG 4.42Å; V1453-K1457 HydrophobicContact CG1-CD 3.89Å; V1453-K1457 HydrophobicContact CG1-CG 4.16Å; V1453-K1457 WeakPolarHBondContact O-CB 3.45Å; V1453-K1457 WeakPolarHBondContact O-CG 3.25Å; V1453-K1457 PolarHBondContact O-N 3.47Å; K1457-R1459 PolarHBondContact O-N 3.47Å |
| 1458 | S | 50.2 | Low | 55.9 | Low | 79 Ų | 79 | 119.2 Ų | 119.2 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | trans | -51.9 | 129.3 | 170.1 | -49.4 | 0 | 0 | 0 | 0 | 110.6 | K1388 I1456 T1460 | K1388-S1458 WeakPolarHBondContact CE-OG 3.4Å; I1456-S1458 PolarHBondContact O-N 3.42Å; S1458-T1460 PolarHBondContact O-N 2.75Å | ||
| 1459 | R | 38.6 | Very low | 53 | Low | 230 Ų | 230 | 121.5 Ų | 121.5 | 87% | 0.868 | 63% | 0.627 | S | S | * | * | trans | -62.5 | 118.8 | 176.5 | -74.1 | -172.3 | -179.8 | -172.8 | 0.5 | 110.1 | K1457 T1461 | K1457-R1459 PolarHBondContact O-N 3.47Å; R1459-T1461 HydrophobicContact CB-CG2 4.42Å; R1459-T1461 PolarHBondContact O-N 3.22Å | ||
| 1460 | T | 29.5 | Very low | 50.3 | Low | 133 Ų | 133 | 124 Ų | 124 | 82% | 0.816 | 65% | 0.647 | S | S | * | * | trans | -74.8 | 83.6 | 172.6 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | S1458 T1462 | S1458-T1460 PolarHBondContact O-N 2.75Å; T1460-T1462 VanDerWaalsContact C-N 3.32Å; T1460-T1462 PolarHBondContact O-N 3.21Å; T1460-T1462 VanDerWaalsContact O-N 3.15Å | ||
| 1461 | T | 30.2 | Very low | 47.4 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 80% | 0.798 | 69% | 0.685 | S | S | * | * | trans | -86.8 | 70.6 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | R1459 | R1459-T1461 HydrophobicContact CB-CG2 4.42Å; R1459-T1461 PolarHBondContact O-N 3.22Å | ||
| 1462 | T | 27.5 | Very low | 44.7 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | -92.6 | 102.1 | 157.1 | 49 | 0 | 0 | 0 | 0 | 108.8 | T1460 | T1460-T1462 VanDerWaalsContact C-N 3.32Å; T1460-T1462 PolarHBondContact O-N 3.21Å; T1460-T1462 VanDerWaalsContact O-N 3.15Å | ||
| 1463 | N | 31.1 | Very low | 41.9 | Very low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | 171.1 | 155.3 | 128.4 | -85 | -8 | 0 | 0 | 0 | 111.6 | |||||
| 1464 | S | 26.2 | Very low | 39.2 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -99 | 162.8 | 171.2 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1465 | M | 30.5 | Very low | 37 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | 80.6 | 133 | 169.1 | -44.4 | -163.4 | 79.3 | 0 | 0 | 117.1 | ||||
| 1466 | N | 27.2 | Very low | 34.6 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | -84.6 | 165.3 | -176.5 | -57.4 | -35 | 0 | 0 | 0 | 112.1 | ||||
| 1467 | N | 32 | Very low | 32 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | -160.5 | 163.6 | 112.1 | -99 | -27.1 | 0 | 0 | 0 | 113 | |||||
| 1468 | N | 27.2 | Very low | 29.7 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -85.8 | 152.5 | -171 | -42.6 | -60.2 | 0 | 0 | 0 | 112.5 | ||||
| 1469 | M | 28 | Very low | 28.5 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -176.1 | 173.4 | 102.6 | -98.5 | -55.2 | -176.9 | 0 | 0 | 114.1 | |||||
| 1470 | N | 29 | Very low | 27.9 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -69 | 167.9 | -165.5 | -63.5 | -29.7 | 0 | 0 | 0 | 116.8 | ||||
| 1471 | H | 26.9 | Very low | 27.4 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -50.7 | 151.7 | 158.5 | -73.7 | -87.7 | 0 | 0 | 0 | 113.5 | ||||
| 1472 | D | 29.9 | Very low | 27.9 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | -145.1 | 172.5 | 108.2 | -142.2 | -27.9 | 0 | 0 | 0 | 111.2 | |||||
| 1473 | S | 27.9 | Very low | 27.7 | Very low | 87 Ų | 87 | 149 Ų | 149 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -129.2 | 160 | -166.7 | 66.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1474 | R | 27.1 | Very low | 27.3 | Very low | 215 Ų | 215 | 146.1 Ų | 146.1 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -174.8 | 149.7 | 142.2 | -111.4 | 173.8 | -71.6 | 174.7 | -1.5 | 117.3 | ||||
| 1475 | Y | 30.2 | Very low | 27.2 | Very low | 185 Ų | 185 | 148 Ų | 148 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | trans | 65.6 | 99.2 | 156.3 | -76 | -73.8 | 0 | 0 | 0 | 123.2 | ||||
| 1476 | L | 27.3 | Very low | 27.1 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | 55.8 | 128.5 | 119.1 | -65.2 | -166.8 | 0 | 0 | 0 | 121.2 | |||||
| 1477 | Q | 24.4 | Very low | 27.1 | Very low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | 89.3 | 128 | 65.3 | -161.3 | 90 | 25.3 | 0 | 0 | 111.4 | |||||
| 1478 | S | 23.6 | Very low | 26.8 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 55% | 0.552 | 75% | 0.747 | S | S | * | * | cis | -168.9 | -177.3 | -11 | -90 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1479 | T | 25.1 | Very low | 26.8 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | 74.4 | 150.4 | 157.7 | 15.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1480 | E | 24.5 | Very low | 26.7 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | cis | -131.3 | -151.3 | 8.4 | -64.8 | -162.6 | 127.1 | 0 | 0 | 114.6 | ||||
| 1481 | L | 20.7 | Very low | 26.4 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | trans | -112.2 | 177 | -168.8 | -86.5 | 169.1 | 0 | 0 | 0 | 112.7 | ||||
| 1482 | P | 39 | Very low | 26.4 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -108.5 | 153.1 | -148.1 | 40 | -37.1 | 0 | 0 | 0 | 118.8 | ||||
| 1483 | S | 23.4 | Very low | 26.2 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -171 | 166.5 | 159.2 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1484 | S | 24.3 | Very low | 26 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | cis | -160.5 | 155.6 | -31.5 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1485 | E | 23.5 | Very low | 25.9 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | 60.9 | 152.3 | 151.9 | -78.8 | -149.8 | 174.8 | 0 | 0 | 124.3 | K1487 | E1485-K1487 IonicContact OE2-NZ 3.92Š| ||
| 1486 | N | 28.3 | Very low | 25.6 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | trans | 77.9 | 140.9 | 148.3 | -62.9 | -25.7 | 0 | 0 | 0 | 122.3 | ||||
| 1487 | K | 27.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | cis | -174.2 | 130.9 | -31.8 | -119.3 | 177.7 | -161.5 | 116.5 | 0 | 109.1 | E1485 | E1485-K1487 IonicContact OE2-NZ 3.92Š| ||
| 1488 | H | 26 | Very low | 25.4 | Very low | 154 Ų | 154 | 142 Ų | 142 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | 59.8 | 174.2 | 157.2 | -62.5 | -47.1 | 0 | 0 | 0 | 117.6 | ||||
| 1489 | R | 26.9 | Very low | 25.6 | Very low | 214 Ų | 214 | 144.2 Ų | 144.2 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | cis | -146.7 | 136.3 | -7.8 | -121.5 | 146.8 | -175.9 | -161.9 | -0 | 104.7 | ||||
| 1490 | V | 25.3 | Very low | 25.6 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 61% | 0.606 | 74% | 0.742 | S | S | * | * | 81.9 | 136.4 | 56.7 | 166.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1491 | Y | 23.9 | Very low | 25.9 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | 77.1 | 141.1 | 173.2 | -61.3 | -33.5 | 0 | 0 | 0 | 117.8 | ||||
| 1492 | D | 25.3 | Very low | 26.1 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | cis | -167.4 | 178.8 | -13.3 | -126.5 | -19.2 | 0 | 0 | 0 | 115.6 | ||||
| 1493 | L | 25.9 | Very low | 25.6 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 63% | 0.634 | 73% | 0.733 | S | S | * | * | trans | 63.4 | 104.7 | 149.8 | -98.3 | 68.4 | 0 | 0 | 0 | 122.9 | ||||
| 1494 | L | 23.9 | Very low | 25.7 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | 23.4 | 131.6 | 113 | -54.2 | 170.5 | 0 | 0 | 0 | 119.6 | |||||
| 1495 | H | 25.7 | Very low | 26 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | -171.3 | 159 | 104.6 | -99.8 | 84.4 | 0 | 0 | 0 | 115.3 | |||||
| 1496 | F | 22.5 | Very low | 26 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 75% | 0.75 | 73% | 0.726 | S | S | * | * | trans | -42.8 | 171.1 | 168.2 | -72.9 | -103.2 | 0 | 0 | 0 | 116.8 | ||||
| 1497 | N | 23.5 | Very low | 26.1 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | cis | -162.8 | 168.7 | 26.8 | -141.5 | -18.6 | 0 | 0 | 0 | 116 | ||||
| 1498 | Q | 23.9 | Very low | 26.3 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 47 | 116.8 | 150.1 | -77.4 | 155.6 | 16.1 | 0 | 0 | 122.5 | ||||
| 1499 | S | 28 | Very low | 26.3 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | 173.4 | 161.9 | 100.8 | 46.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1500 | Q | 26 | Very low | 26.2 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 70% | 0.696 | S | S | * | * | trans | -131.2 | 166.9 | 168.9 | -100.7 | -168 | -3 | 0 | 0 | 106.7 | ||||
| 1501 | P | 30.9 | Very low | 26.3 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 64% | 0.643 | 69% | 0.687 | S | S | * | * | cis | -150.2 | -169 | 35.4 | 44.6 | -23.4 | 0 | 0 | 0 | 117.9 | ||||
| 1502 | D | 24.5 | Very low | 26.6 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | trans | 73.2 | 155.2 | 147.5 | -69.5 | -32.7 | 0 | 0 | 0 | 123.9 | ||||
| 1503 | L | 28.4 | Very low | 26.7 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 86% | 0.859 | 69% | 0.686 | S | S | * | * | trans | -101.5 | 147.5 | -170.3 | -65.8 | 137.6 | 0 | 0 | 0 | 112.5 | ||||
| 1504 | R | 25.7 | Very low | 26.8 | Very low | 232 Ų | 232 | 134.9 Ų | 134.9 | 88% | 0.875 | 69% | 0.69 | S | S | * | * | trans | -172 | 147.8 | 139.2 | -112 | 175.6 | 172.9 | 153.3 | -0.5 | 115.9 | ||||
| 1505 | I | 30 | Very low | 27 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | trans | 72.4 | 97.8 | 149.7 | -61.4 | 162.1 | 0 | 0 | 0 | 119 | ||||
| 1506 | Q | 23.6 | Very low | 27.6 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 56% | 0.556 | 69% | 0.694 | S | S | * | * | 29.9 | 123.5 | 123.6 | -56.6 | 160.7 | -84.7 | 0 | 0 | 121 | |||||
| 1507 | T | 30.9 | Very low | 28.3 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | -156.8 | 114.7 | 112.2 | 36.4 | 0 | 0 | 0 | 0 | 109 | |||||
| 1508 | Q | 31.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 62% | 0.621 | 70% | 0.7 | S | S | * | * | 76.7 | 120 | 111.7 | -66.2 | 179.6 | -39.5 | 0 | 0 | 115.5 | S1811 | Q1508-S1811 VanDerWaalsContact O-CB 3.28Å; Q1508-S1811 WeakPolarHBondContact O-CB 3.29Å; Q1508-S1811 PolarHBondContact O-OG 2.85Å | |||
| 1509 | Q | 26.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 51% | 0.509 | 71% | 0.705 | S | S | . | * | 26.2 | 141.3 | 98.8 | -74 | -175.8 | -94.5 | 0 | 0 | 116.5 | P1813 | Q1509-P1813 HydrophobicContact CG-CG 4.25Š| |||
| 1510 | D | 25.1 | Very low | 28.9 | Very low | 64 Ų | 64 | 134.6 Ų | 134.6 | 34% | 0.342 | 70% | 0.696 | S | S | . | * | cis | -164.9 | -170.4 | 17.3 | -101 | -22.1 | 0 | 0 | 0 | 110 | P1813 I1814 | D1510-P1813 CarbonylContact C-O 3.51Å; D1510-P1813 VanDerWaalsContact CA-O 3.31Å; D1510-P1813 WeakPolarHBondContact CA-O 3.39Å; D1510-P1813 WeakPolarHBondContact CB-O 3.23Å; D1510-P1813 WeakPolarHBondContact OD1-CD 3.48Å; D1510-P1813 WeakPolarHBondContact OD1-CG 3.49Å; D1510-I1814 HydrophobicContact CB-CB 4.12Å; D1510-I1814 HydrophobicContact CB-CD1 3.68Å; D1510-I1814 HydrophobicContact CB-CG1 3.58Å | ||
| 1511 | H | 27.5 | Very low | 29.2 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 42% | 0.421 | 68% | 0.684 | S | S | . | * | trans | -49.3 | 154 | -163.5 | -90.6 | 9.1 | 0 | 0 | 0 | 124 | P1813 I1814 | H1511-P1813 PolarHBondContact N-O 3.1Å; H1511-P1813 PolarHBondContact ND1-O 3.38Å; H1511-I1814 HydrophobicContact CB-CB 3.58Å; H1511-I1814 HydrophobicContact CB-CD1 4.02Å; H1511-I1814 HydrophobicContact CB-CG1 4.35Å; H1511-I1814 HydrophobicContact CB-CG2 3.6Å; H1511-I1814 WeakPolarHBondContact CD2-CG2 3.35Å; H1511-I1814 PolarHBondContact CE1-N 2.8Å; H1511-I1814 VanDerWaalsContact CG-CG2 3.47Å; H1511-I1814 PolarHBondContact ND1-N 2.7Å | ||
| 1512 | N | 29.2 | Very low | 29.4 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | 54.7 | 131.5 | 135.3 | -65.8 | -28.6 | 0 | 0 | 0 | 124.1 | ||||
| 1513 | A | 28.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | 78.7 | 107.9 | 136.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1514 | M | 26.5 | Very low | 29.9 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | trans | 48.6 | 131.6 | 139.3 | -58.6 | -160.9 | 79.8 | 0 | 0 | 121.4 | ||||
| 1515 | N | 28 | Very low | 30 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 87% | 0.866 | 67% | 0.672 | S | S | * | * | trans | -144.4 | 122.7 | 133.9 | -104.7 | -55.3 | 0 | 0 | 0 | 112.1 | ||||
| 1516 | N | 40.2 | Very low | 30 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | trans | -85.6 | 153.2 | 156.1 | -70.6 | -27.4 | 0 | 0 | 0 | 108.5 | ||||
| 1517 | P | 36.1 | Very low | 30.3 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | trans | -120 | 143.4 | 161.1 | 21.7 | -3 | 0 | 0 | 0 | 113 | ||||
| 1518 | S | 28 | Very low | 30.1 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | cis | -170.7 | 160.2 | -11.2 | -149.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1519 | R | 29.8 | Very low | 29.9 | Very low | 222 Ų | 222 | 131.1 Ų | 131.1 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | 67.5 | 152.4 | 164.4 | -60.4 | 175.9 | 177.5 | 166.3 | -1.8 | 115.2 | ||||
| 1520 | N | 30.1 | Very low | 30 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | cis | -164 | 160.6 | -4.5 | -119.4 | 34.1 | 0 | 0 | 0 | 107.1 | ||||
| 1521 | T | 33.1 | Very low | 30.1 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | cis | -161.5 | 171.8 | -7.3 | -5.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1522 | T | 33.6 | Very low | 30.3 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | 64.5 | 145.8 | 168.9 | 58.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1523 | D | 31.9 | Very low | 30.4 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | cis | -151.1 | 165.5 | -6.4 | -134.7 | -22.9 | 0 | 0 | 0 | 114.4 | ||||
| 1524 | K | 33.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 133 Ų | 133 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | trans | 17.2 | 125.4 | 158 | -68.5 | 140.6 | -160.5 | 151.1 | 0 | 122 | ||||
| 1525 | K | 26.4 | Very low | 30.7 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 88% | 0.878 | 71% | 0.712 | S | S | * | * | 22.4 | 125.6 | 117 | -64.7 | 174.9 | 171.8 | -179.2 | 0 | 118.5 | |||||
| 1526 | A | 29.6 | Very low | 30.7 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | 174.5 | 149.4 | 109.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1527 | T | 30.9 | Very low | 30.1 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | trans | 46.9 | 110.6 | 145.8 | 52.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1528 | R | 26.1 | Very low | 30 | Very low | 224 Ų | 224 | 138.9 Ų | 138.9 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | 62.3 | 137.8 | 117.8 | -94.5 | -172.8 | 162.1 | 150.6 | -4.2 | 123 | |||||
| 1529 | N | 27.3 | Very low | 30 | Very low | 113 Ų | 113 | 142 Ų | 142 | 60% | 0.604 | 71% | 0.71 | S | S | * | * | trans | 100 | 116.4 | 131.3 | -77.9 | 12.4 | 0 | 0 | 0 | 123.6 | ||||
| 1530 | H | 28.5 | Very low | 29.9 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 63% | 0.625 | 71% | 0.707 | S | S | * | * | 88.5 | 123.3 | 129 | -72.7 | -55.9 | 0 | 0 | 0 | 125.5 | |||||
| 1531 | H | 27.5 | Very low | 30 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 51% | 0.505 | 71% | 0.706 | S | S | . | * | trans | 74.6 | 112.6 | 139.3 | -62.1 | -56.2 | 0 | 0 | 0 | 126 | I1666 | H1531-I1666 VanDerWaalsContact CE1-CD1 3.48Å; H1531-I1666 WeakPolarHBondContact CE1-CD1 3.34Å | ||
| 1532 | S | 32.3 | Very low | 29.9 | Very low | 76 Ų | 76 | 142.6 Ų | 142.6 | 53% | 0.531 | 71% | 0.712 | S | S | . | * | 58.1 | 112.2 | 117.7 | -53.7 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 1533 | S | 30.1 | Very low | 29.8 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | 99.2 | 152.2 | 126 | 88.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1534 | S | 29.2 | Very low | 29.6 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | trans | 109.6 | 126.5 | 136.3 | -82.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1535 | H | 32.2 | Very low | 29.4 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | 84.4 | 92.4 | 137.3 | -79.3 | 79.2 | 0 | 0 | 0 | 125.6 | ||||
| 1536 | R | 28.9 | Very low | 29.6 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | 37.2 | 136.8 | 121.1 | -81.2 | -175 | 156.5 | 171.7 | -3.4 | 124.8 | |||||
| 1537 | H | 27.9 | Very low | 29.7 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | 33.8 | 148.9 | 133.1 | -54 | -50.4 | 0 | 0 | 0 | 121.9 | ||||
| 1538 | H | 33.7 | Very low | 29.8 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | cis | -153.9 | -171.4 | 31 | -111 | -54.8 | 0 | 0 | 0 | 112.4 | ||||
| 1539 | H | 26.9 | Very low | 30 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -62.2 | 167 | 170.2 | -66.3 | -91.7 | 0 | 0 | 0 | 112.8 | ||||
| 1540 | Y | 28.3 | Very low | 30.7 | Very low | 198 Ų | 198 | 144.9 Ų | 144.9 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | cis | -159.8 | 152.5 | 34.5 | -139.6 | -82.2 | 0 | 0 | 0 | 113.5 | ||||
| 1541 | T | 31.6 | Very low | 30.7 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | 63.4 | 116.8 | 161 | 28.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1542 | Q | 31.4 | Very low | 30.8 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | 77.4 | 110.1 | 129 | -82.1 | 176.7 | -24.1 | 0 | 0 | 124.3 | |||||
| 1543 | Q | 30.6 | Very low | 30.6 | Very low | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 78.8 | 141.7 | 136.7 | -72.2 | 177.9 | -22.1 | 0 | 0 | 120.9 | ||||
| 1544 | Q | 28.6 | Very low | 30.4 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -78.5 | 158.2 | 178.2 | -62.6 | 128 | -59.1 | 0 | 0 | 109.7 | ||||
| 1545 | T | 30.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | -156.3 | 137.5 | 50 | 40.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1546 | D | 29.6 | Very low | 29.8 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | 61.4 | 145.1 | 130.2 | -53.5 | -39.3 | 0 | 0 | 0 | 124.4 | ||||
| 1547 | I | 31.5 | Very low | 30.2 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | 81.8 | 97.6 | 155.3 | -66.1 | 153 | 0 | 0 | 0 | 119.2 | ||||
| 1548 | D | 32.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 75.7 | 160.6 | 134 | -62.3 | -17 | 0 | 0 | 0 | 125.1 | ||||
| 1549 | K | 31.4 | Very low | 30 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -117 | -178.3 | -171.3 | -62.1 | 178.8 | -179.9 | 175.6 | 0 | 108.2 | ||||
| 1550 | P | 42.3 | Very low | 30.2 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | cis | -144.7 | -170.1 | 12.3 | 44.9 | -24.2 | 0 | 0 | 0 | 117.4 | ||||
| 1551 | D | 29 | Very low | 30.5 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 71.8 | 119.3 | 146 | -70.8 | -1.7 | 0 | 0 | 0 | 124.3 | ||||
| 1552 | N | 29 | Very low | 30.3 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | 84.9 | 115.4 | 126.9 | -76 | -31.9 | 0 | 0 | 0 | 123.9 | |||||
| 1553 | I | 27.1 | Very low | 30.1 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 65% | 0.651 | 73% | 0.734 | S | S | * | * | 92.4 | 138.2 | 121.7 | -72 | 172 | 0 | 0 | 0 | 120.3 | |||||
| 1554 | H | 25.7 | Very low | 29.9 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | 65.4 | 115.6 | 164.7 | -77.2 | -40.3 | 0 | 0 | 0 | 118.6 | ||||
| 1555 | T | 24.9 | Very low | 29.9 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | 57.6 | 135.6 | 89.1 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1556 | S | 25.7 | Very low | 30 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | cis | -160.9 | 172.6 | 12.2 | 19.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1557 | R | 36.2 | Very low | 30.2 | Very low | 243 Ų | 243 | 142.4 Ų | 142.4 | 92% | 0.917 | 72% | 0.716 | S | S | * | * | trans | -38 | 146.8 | 163.5 | -60.9 | 171.1 | 170.4 | 161.7 | -3.7 | 112 | ||||
| 1558 | P | 29.4 | Very low | 30.3 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | -146 | 164.9 | 98.1 | 42 | -28.9 | 0 | 0 | 0 | 116.2 | |||||
| 1559 | N | 28.3 | Very low | 30.3 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | 56.7 | 120.5 | 134 | -68 | 0.2 | 0 | 0 | 0 | 124.2 | ||||
| 1560 | H | 30.1 | Very low | 30.1 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | 78.4 | 133 | 123.9 | -74.3 | -61.8 | 0 | 0 | 0 | 122.8 | |||||
| 1561 | H | 35.6 | Very low | 29.4 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | 66.5 | 114.9 | 156.4 | -60.8 | -31.9 | 0 | 0 | 0 | 117.2 | ||||
| 1562 | R | 26.6 | Very low | 29.4 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 69% | 0.694 | 69% | 0.687 | S | S | * | * | 76.9 | 120.1 | 56.9 | -73.5 | -169.3 | 128.7 | 160.8 | 1.3 | 112 | |||||
| 1563 | I | 27.8 | Very low | 29.7 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 65% | 0.651 | 69% | 0.691 | S | S | * | * | cis | 91.5 | 126 | 39.8 | -67.4 | 162.1 | 0 | 0 | 0 | 113 | K1565 | I1563-K1565 PolarHBondContact O-NZ 3.42Š| ||
| 1564 | D | 26.2 | Very low | 30.1 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 60% | 0.599 | 69% | 0.693 | S | S | * | * | trans | 66.1 | 170 | 176 | -44.5 | -44 | 0 | 0 | 0 | 114.5 | ||||
| 1565 | K | 30 | Very low | 30.5 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 64% | 0.635 | 70% | 0.695 | S | S | * | * | cis | -140.9 | 162.9 | 23.9 | -98.9 | 94.3 | -152.9 | 148.5 | 0 | 110.1 | I1563 | I1563-K1565 PolarHBondContact O-NZ 3.42Š| ||
| 1566 | S | 31.6 | Very low | 30.7 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 66% | 0.657 | 70% | 0.699 | S | S | * | * | cis | -167.1 | 176.8 | -5.2 | 47.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1567 | K | 33.8 | Very low | 31.2 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -147.1 | 155.1 | 26 | -65.6 | 170.8 | -174.5 | 167.9 | 0 | 106.7 | ||
| 1568 | Q | 32.4 | Very low | 31 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | S | Bend | cis | -160.1 | 160.9 | 11.5 | -120.5 | 173.8 | 2.7 | 0 | 0 | 104.9 | ||
| 1569 | L | 32.2 | Very low | 30.9 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | cis | -152.2 | 116 | -18.4 | -158.3 | 65.2 | 0 | 0 | 0 | 101.7 | ||||
| 1570 | D | 27.3 | Very low | 30.9 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 42% | 0.417 | 69% | 0.685 | S | S | . | * | 56.2 | 126.8 | 72.9 | -169.5 | 18.2 | 0 | 0 | 0 | 112.2 | |||||
| 1571 | K | 28.4 | Very low | 30.8 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | 62.1 | 149.3 | 169.9 | -69.3 | 139.5 | -167.1 | 160.5 | 0 | 117.8 | ||||
| 1572 | S | 28.4 | Very low | 30.4 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 56% | 0.559 | 69% | 0.691 | S | S | * | * | cis | -178.6 | 175.1 | -11.7 | 55.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1573 | K | 35.8 | Very low | 30.3 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | trans | 67.5 | 160.8 | 161.1 | -62.2 | 166.4 | -177.3 | 179.3 | 0 | 113.9 | ||||
| 1574 | Q | 35.4 | Very low | 30.6 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | cis | -158.4 | 166.7 | -21.2 | -110.8 | 161.3 | -25.1 | 0 | 0 | 106.9 | ||||
| 1575 | K | 33.4 | Very low | 30.6 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | 29.5 | 109.3 | 153.9 | -61 | 178.4 | 175.1 | -175.7 | 0 | 115.8 | ||||
| 1576 | I | 30.2 | Very low | 30.3 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 77% | 0.774 | 70% | 0.696 | S | S | * | * | -155.1 | 130.5 | 65.5 | -69.1 | 129.4 | 0 | 0 | 0 | 106.1 | |||||
| 1577 | G | 36.7 | Very low | 30.1 | Very low | 63 Ų | 63 | 132.4 Ų | 132.4 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | 97.3 | 150 | 56.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1578 | S | 30.5 | Very low | 29.6 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | cis | -179.1 | 164.7 | -14.9 | 35.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1579 | L | 29 | Very low | 29.2 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | 68.7 | 158.1 | 175.5 | -48.1 | 122.8 | 0 | 0 | 0 | 113.4 | ||||
| 1580 | S | 26.9 | Very low | 28.9 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | cis | 78.3 | 148.5 | 16.4 | 89 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1581 | R | 29.3 | Very low | 29.1 | Very low | 226 Ų | 226 | 129.4 Ų | 129.4 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | 66 | 165.1 | -175.5 | -70.6 | -178.1 | 163.6 | -173.3 | -5.2 | 117.6 | ||||
| 1582 | S | 26.4 | Very low | 29.1 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | 61.7 | 105 | 155.7 | 51.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1583 | T | 25.5 | Very low | 29.2 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 59% | 0.589 | 72% | 0.719 | S | S | * | * | -68.2 | 162.3 | 117.2 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | F1657 | T1583-F1657 HydrophobicContact CG2-CZ 4.28Å; T1583-F1657 VanDerWaalsContact OG1-CZ 3.31Å; T1583-F1657 WeakPolarHBondContact OG1-CZ 3.25Å | |||
| 1584 | P | 32.5 | Very low | 29.1 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | cis | -130.1 | -151.2 | -32.3 | 34.9 | -14.8 | 0 | 0 | 0 | 109.5 | ||||
| 1585 | S | 26.5 | Very low | 28.7 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | 39 | 149.8 | 137.3 | -56.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1586 | L | 24.6 | Very low | 28.7 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | trans | 71.3 | 102.6 | 159.3 | -61.8 | 155.9 | 0 | 0 | 0 | 116.5 | L1588 | L1586-L1588 HydrophobicContact CD2-CD1 3.58Š| ||
| 1587 | N | 27 | Very low | 28.8 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | -138.2 | 131.1 | 105 | -102.6 | -32.1 | 0 | 0 | 0 | 106.2 | |||||
| 1588 | L | 23.5 | Very low | 28.2 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | 49.1 | 130.9 | 58.9 | -93.7 | 75.8 | 0 | 0 | 0 | 111.6 | L1586 | L1586-L1588 HydrophobicContact CD2-CD1 3.58Š| |||
| 1589 | A | 24 | Very low | 28.1 | Very low | 65 Ų | 65 | 131.6 Ų | 131.6 | 54% | 0.537 | 73% | 0.725 | S | S | . | * | cis | -153.3 | -149.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1590 | Q | 25.3 | Very low | 28 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | 38.5 | 119.4 | 140.4 | -71.5 | 161.7 | -65.4 | 0 | 0 | 118 | ||||
| 1591 | V | 32.6 | Very low | 27.9 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | cis | -140.1 | 138 | 16.3 | -168.2 | 0 | 0 | 0 | 0 | 105.4 | M1593 | V1591-M1593 HydrophobicContact CG1-CG 4.5Å; V1591-M1593 HydrophobicContact CG1-SD 4.23Å | ||
| 1592 | G | 27.1 | Very low | 27.8 | Very low | 64 Ų | 64 | 127.9 Ų | 127.9 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | cis | 91.9 | 158.6 | 34.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1593 | M | 31.4 | Very low | 27.7 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | trans | 65.7 | 121.6 | 173.6 | -67.5 | 163.8 | 159.4 | 0 | 0 | 114.3 | V1591 | V1591-M1593 HydrophobicContact CG1-CG 4.5Å; V1591-M1593 HydrophobicContact CG1-SD 4.23Å | ||
| 1594 | D | 32.5 | Very low | 27.7 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | cis | -139 | 178.1 | 3.8 | -73.2 | -52.5 | 0 | 0 | 0 | 112.1 | ||||
| 1595 | D | 28.1 | Very low | 27.4 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | trans | -62.7 | 174.6 | -179.7 | -51 | -87.2 | 0 | 0 | 0 | 112.9 | ||||
| 1596 | D | 32.4 | Very low | 27.4 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | -153.8 | 162.8 | 75.9 | -101.6 | -42.1 | 0 | 0 | 0 | 114.1 | |||||
| 1597 | M | 32.1 | Very low | 27.6 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | 23.7 | 134.8 | 149.4 | -49.9 | -51.9 | 170.7 | 0 | 0 | 120.3 | ||||
| 1598 | I | 25.2 | Very low | 27.5 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | 63.9 | 145.4 | 53.8 | -53.5 | 175.8 | 0 | 0 | 0 | 111.6 | |||||
| 1599 | E | 27.7 | Very low | 27.6 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | trans | 76.3 | 155.5 | -173.8 | -52.8 | -161.8 | 149.4 | 0 | 0 | 115.3 | ||||
| 1600 | L | 26.4 | Very low | 27.8 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | cis | -164 | 171.7 | -45.1 | -109.2 | 166.6 | 0 | 0 | 0 | 105.9 | ||||
| 1601 | D | 26.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | trans | 54 | 130.1 | 151.7 | -57.6 | -16.1 | 0 | 0 | 0 | 123.2 | ||||
| 1602 | D | 26.6 | Very low | 27.6 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 52.8 | 122.1 | 128.1 | -69.6 | 9.5 | 0 | 0 | 0 | 124.5 | |||||
| 1603 | N | 25 | Very low | 27.9 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | 58.8 | 145.1 | 121.7 | -66.6 | -39.3 | 0 | 0 | 0 | 124.3 | |||||
| 1604 | E | 25.2 | Very low | 27.9 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | 85.1 | 120.7 | 146.3 | -80.5 | -170.6 | -132.5 | 0 | 0 | 123.3 | ||||
| 1605 | N | 26.1 | Very low | 27.7 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | 65.9 | 92.9 | 128.9 | -65.1 | -28.1 | 0 | 0 | 0 | 122.6 | |||||
| 1606 | Y | 25.2 | Very low | 27.7 | Very low | 209 Ų | 209 | 138.7 Ų | 138.7 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | 55.1 | 119.8 | 109.2 | -101 | -99.1 | 0 | 0 | 0 | 121.5 | |||||
| 1607 | T | 28.7 | Very low | 28.1 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 68.9 | 150.3 | 147.4 | 43 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1608 | D | 25.3 | Very low | 27.9 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | cis | -151 | 166.7 | 17.7 | -143.1 | -2.3 | 0 | 0 | 0 | 115.8 | ||||
| 1609 | N | 25.5 | Very low | 28 | Very low | 117 Ų | 117 | 145 Ų | 145 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | trans | 39.5 | 120.2 | 156.6 | -60.4 | -47.5 | 0 | 0 | 0 | 122 | ||||
| 1610 | N | 29.2 | Very low | 28.1 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | -172.2 | 151.1 | 94.2 | -106.2 | -57.9 | 0 | 0 | 0 | 117.7 | |||||
| 1611 | A | 27.1 | Very low | 28.2 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | 41.7 | 115.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1612 | V | 27.2 | Very low | 28.1 | Very low | 138 Ų | 138 | 146 Ų | 146 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | 59.6 | 106.7 | 130.1 | -173.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1613 | S | 32.5 | Very low | 28.1 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | -167.4 | 168.9 | 120.2 | 46.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1614 | N | 31.7 | Very low | 28.1 | Very low | 156 Ų | 156 | 146 Ų | 146 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -91.3 | 155.7 | -157.5 | -78 | -66.2 | 0 | 0 | 0 | 116.6 | ||||
| 1615 | H | 27.3 | Very low | 28.4 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | -53.5 | 140 | 170 | -54.7 | -91.1 | 0 | 0 | 0 | 114.4 | ||||
| 1616 | S | 29.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -167.3 | 160.4 | 133.7 | -88.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1617 | P | 39.3 | Very low | 29 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -123.3 | 175.9 | -147.5 | 43.9 | -33.6 | 0 | 0 | 0 | 116.9 | ||||
| 1618 | K | 28.5 | Very low | 29 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | 60.1 | 89.4 | 159.3 | -67.3 | 174.9 | 179.7 | 174.7 | 0 | 117.8 | ||||
| 1619 | R | 28.4 | Very low | 29.3 | Very low | 254 Ų | 254 | 148.2 Ų | 148.2 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | -173.9 | 163.1 | 104 | -107.4 | 179.3 | 172.4 | 175 | -1.3 | 114.1 | |||||
| 1620 | S | 30.2 | Very low | 29.5 | Very low | 92 Ų | 92 | 149.6 Ų | 149.6 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -78.5 | 157.9 | 168.6 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1621 | M | 27.8 | Very low | 29.7 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 67.3 | 114.9 | -178.1 | -44.5 | -58 | 175.2 | 0 | 0 | 113.1 | ||||
| 1622 | R | 23.8 | Very low | 29.8 | Very low | 192 Ų | 192 | 151 Ų | 151 | 73% | 0.725 | 77% | 0.765 | S | S | * | * | cis | -141.1 | 143.9 | 44.6 | -82.6 | -179.3 | 162.6 | 176.1 | -8 | 110.4 | ||||
| 1623 | S | 28 | Very low | 29.8 | Very low | 86 Ų | 86 | 156 Ų | 156 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | cis | 75.4 | 141.9 | 49.6 | 92.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1624 | R | 24.6 | Very low | 30 | Very low | 180 Ų | 180 | 155.1 Ų | 155.1 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | 82.1 | 128.9 | 175.7 | -56.8 | 178.2 | 174.1 | 175.5 | -5.9 | 115.4 | ||||
| 1625 | N | 31 | Very low | 30 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -49 | 148.5 | 148.5 | -69.1 | -7.2 | 0 | 0 | 0 | 109.2 | ||
| 1626 | R | 31.3 | Very low | 30.1 | Very low | 232 Ų | 232 | 152.2 Ų | 152.2 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -42.6 | 134.7 | -157.3 | -79.6 | 175.7 | 174.5 | 161.6 | -2.3 | 116.8 | ||
| 1627 | I | 32.2 | Very low | 30.1 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 67.2 | 95.2 | 142 | -55.8 | 163 | 0 | 0 | 0 | 116.9 | ||||
| 1628 | S | 29.9 | Very low | 29.8 | Very low | 87 Ų | 87 | 151.8 Ų | 151.8 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | 178.4 | 133.7 | 110.3 | 42.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1629 | E | 30.1 | Very low | 30.1 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 66% | 0.659 | 76% | 0.757 | S | S | * | * | trans | 42.2 | 138.2 | 142.3 | -55.8 | -140.8 | 109.8 | 0 | 0 | 126.5 | ||||
| 1630 | K | 31.3 | Very low | 30.2 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | trans | 66.1 | 166.4 | 139.9 | -67.5 | 162.8 | -172.7 | 156.4 | 0 | 120.7 | ||||
| 1631 | T | 32.9 | Very low | 30.1 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | -154.1 | 139.8 | -78.5 | 15.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1632 | N | 28.9 | Very low | 30.3 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 58.7 | 119.8 | 142.9 | -63.6 | -18.1 | 0 | 0 | 0 | 127.4 | ||||
| 1633 | R | 28 | Very low | 30.8 | Very low | 244 Ų | 244 | 142.6 Ų | 142.6 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | 82.8 | 168.5 | 129.4 | -91.5 | -163.7 | 157.2 | 170.7 | -7.2 | 123.3 | |||||
| 1634 | P | 37.1 | Very low | 30.9 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | trans | -142.3 | 176.7 | -135.8 | 47.2 | -27.8 | 0 | 0 | 0 | 122 | ||||
| 1635 | Q | 30.6 | Very low | 31.3 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 69.1 | 123 | 149.1 | -83 | -177 | -24.7 | 0 | 0 | 125.3 | ||||
| 1636 | S | 29.8 | Very low | 31.3 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | 126 | 130.9 | 122.7 | -147.4 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1637 | V | 29.1 | Very low | 31.2 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | trans | 57.2 | 143.4 | 153.3 | -66.4 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 1638 | G | 32.9 | Very low | 31.2 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 158.5 | 145.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1639 | S | 34.4 | Very low | 31.3 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -160.2 | 148.6 | -172.9 | -43.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1640 | R | 30.1 | Very low | 31.3 | Very low | 241 Ų | 241 | 145.3 Ų | 145.3 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 152.6 | 143.7 | 138.4 | -90.1 | -176.5 | 165.8 | -164 | -5.5 | 118.3 | ||||
| 1641 | S | 28.2 | Very low | 31.1 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 47.6 | 150.4 | 150.8 | 53.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1642 | G | 32.7 | Very low | 30.7 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | cis | 171.3 | 178.3 | -3.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1643 | T | 34.4 | Very low | 30.5 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | 84.9 | 162.3 | 169.5 | -18.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1644 | Q | 29.1 | Very low | 30.5 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -125.1 | 168.1 | -160.9 | -55.4 | 164.6 | -74.6 | 0 | 0 | 115 | ||||
| 1645 | V | 33.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | 179 | 152.4 | 129 | 146.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1646 | N | 31.1 | Very low | 30 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 66% | 0.658 | 80% | 0.799 | S | S | * | * | trans | -10.6 | 129.2 | 173.5 | -80.6 | -1.4 | 0 | 0 | 0 | 121.5 | ||||
| 1647 | Q | 28.7 | Very low | 29.8 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | 77.3 | 111.8 | 80.1 | -68.3 | -176.9 | 16.3 | 0 | 0 | 116.3 | |||||
| 1648 | Q | 32.7 | Very low | 29.6 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | -169.4 | 141.8 | 129.6 | -108.2 | 176.8 | 19.9 | 0 | 0 | 113.5 | |||||
| 1649 | H | 32.2 | Very low | 29.3 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 28.7 | 126.3 | 156.8 | -87 | -126.6 | 0 | 0 | 0 | 124.2 | ||||
| 1650 | I | 30.1 | Very low | 29 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | 45.5 | 109.9 | 129.2 | -52.6 | -178.7 | 0 | 0 | 0 | 116.3 | |||||
| 1651 | Q | 26.7 | Very low | 28.8 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | -170 | 154.2 | 70.9 | -142 | 157.7 | 47.4 | 0 | 0 | 113.3 | |||||
| 1652 | S | 24.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 57.9 | 119.1 | 161 | 51.9 | 0 | 0 | 0 | 0 | 122.3 | ||
| 1653 | S | 24.7 | Very low | 28.5 | Very low | 125 Ų | 125 | 140 Ų | 140 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 65.1 | 116 | 154.8 | 63.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1654 | S | 28.9 | Very low | 28.2 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -146.5 | 114.6 | -178 | 56.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1655 | L | 27.3 | Very low | 28.1 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | 5 | 147.9 | 141.5 | -67.3 | 158 | 0 | 0 | 0 | 121.4 | ||||
| 1656 | S | 28.3 | Very low | 27.7 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | -95.6 | 154.4 | 162.5 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1657 | F | 26.9 | Very low | 27.5 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 63% | 0.632 | 74% | 0.735 | S | S | * | * | trans | -169.1 | -172.8 | 146.8 | -113.2 | -71 | 0 | 0 | 0 | 111.5 | T1583 | T1583-F1657 HydrophobicContact CG2-CZ 4.28Å; T1583-F1657 VanDerWaalsContact OG1-CZ 3.31Å; T1583-F1657 WeakPolarHBondContact OG1-CZ 3.25Å | ||
| 1658 | S | 24.6 | Very low | 27.4 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | trans | -123.1 | 146.4 | -142.2 | 59.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1659 | T | 26.7 | Very low | 27 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | trans | 63.1 | 132.8 | 144.6 | 54.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 1660 | T | 27 | Very low | 27 | Very low | 141 Ų | 141 | 119 Ų | 119 | 87% | 0.865 | 69% | 0.691 | S | S | * | * | trans | -163.2 | 138.2 | 146.1 | -1.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1661 | S | 27.4 | Very low | 27.3 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | trans | 13.2 | 111.6 | 156.3 | 55 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 1662 | S | 27.7 | Very low | 27.5 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | 25.8 | 133 | 115.4 | 61.5 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1663 | E | 26.7 | Very low | 27.7 | Very low | 198 Ų | 198 | 111.2 Ų | 111.2 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | -165.1 | -165.1 | 116.4 | -115.5 | 174.5 | -165.2 | 0 | 0 | 113.2 | |||||
| 1664 | S | 26.9 | Very low | 28.1 | Very low | 101 Ų | 101 | 106.8 Ų | 106.8 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | trans | -130 | 160.4 | -140.3 | 58.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 1665 | D | 26.8 | Very low | 28.3 | Very low | 99 Ų | 99 | 106.8 Ų | 106.8 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | trans | 86.7 | 121.1 | 144.4 | -88.9 | 10 | 0 | 0 | 0 | 125.4 | ||||
| 1666 | I | 26.4 | Very low | 28.3 | Very low | 86 Ų | 86 | 102.5 Ų | 102.5 | 44% | 0.441 | 60% | 0.602 | S | S | . | * | trans | 97.1 | 91 | 132.3 | -74.6 | 166.5 | 0 | 0 | 0 | 124.3 | H1531 | H1531-I1666 VanDerWaalsContact CE1-CD1 3.48Å; H1531-I1666 WeakPolarHBondContact CE1-CD1 3.34Å | ||
| 1667 | I | 26.5 | Very low | 28.5 | Very low | 124 Ų | 124 | 102 Ų | 102 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | trans | 61.3 | 141.9 | 134.9 | -25.1 | 172.4 | 0 | 0 | 0 | 124 | ||||
| 1668 | V | 26 | Very low | 28.6 | Very low | 104 Ų | 104 | 104 Ų | 104 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | trans | 96 | 140.2 | 152.7 | -135.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1669 | N | 25.8 | Very low | 28.8 | Very low | 132 Ų | 132 | 107.1 Ų | 107.1 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | trans | 80.5 | 144.6 | 164.4 | -69.7 | -20.6 | 0 | 0 | 0 | 120.2 | Q1694 | N1669-Q1694 WeakPolarHBondContact O-CG 3.32Å; N1669-Q1694 PolarHBondContact O-NE2 2.89Å; N1669-Q1694 VanDerWaalsContact O-NE2 3.12Å; N1669-Q1694 PolarHBondContact O-OE1 3.26Å | ||
| 1670 | E | 31.7 | Very low | 28.8 | Very low | 36 Ų | 36 | 107.5 Ų | 107.5 | 17% | 0.168 | 60% | 0.597 | C | S | . | * | trans | -159.9 | 102.3 | -163.7 | -137.9 | -164.1 | -158.3 | 0 | 0 | 112.5 | R1693 Q1694 H1835 Q1836 | E1670-R1693 WeakPolarHBondContact OE1-CG 3.32Å; E1670-R1693 IonicContact OE1-NE 3.84Å; E1670-R1693 PolarHBondContact OE1-NE 3.04Å; E1670-R1693 IonicContact OE2-CZ 3.4Å; E1670-R1693 IonicContact OE2-NE 3.71Å; E1670-R1693 PolarHBondContact OE2-NE 2.88Å; E1670-R1693 IonicContact OE2-NH2 3.79Å; E1670-R1693 PolarHBondContact OE2-NH2 3.26Å; E1670-Q1694 HydrophobicContact CG-CG 3.8Å; E1670-H1835 CarbonylContact C-O 2.8Å; E1670-H1835 VanDerWaalsContact C-O 3.22Å; E1670-H1835 WeakPolarHBondContact CB-O 3.49Å; E1670-H1835 VanDerWaalsContact CD-O 3.25Å; E1670-H1835 WeakPolarHBondContact CG-O 3.42Å; E1670-Q1836 VanDerWaalsContact CD-CA 3.43Å; E1670-Q1836 HydrophobicContact CG-CB 3.7Å | ||
| 1671 | P | 35.6 | Very low | 29 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | trans | -150.5 | 160.6 | 154.3 | 39.3 | -23 | 0 | 0 | 0 | 115.2 | Q1695 | P1671-Q1695 PolarHBondContact O-NE2 3.39Å; P1671-Q1695 PolarHBondContact O-OE1 3.47Å | ||
| 1672 | G | 30.6 | Very low | 29 | Very low | 53 Ų | 53 | 117 Ų | 117 | 55% | 0.546 | 61% | 0.61 | S | S | . | * | trans | 179.2 | -107.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | Q1836 | G1672-Q1836 VanDerWaalsContact N-CG 3.33Š| ||
| 1673 | E | 28.7 | Very low | 29.1 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 42% | 0.416 | 61% | 0.607 | S | S | . | * | trans | 109.4 | 153.9 | -175.7 | -78.5 | 71.6 | -75.5 | 0 | 0 | 118 | Q1696 P1837 P1838 | E1673-Q1696 VanDerWaalsContact N-OE1 3.15Å; E1673-Q1696 PolarHBondContact O-OE1 3.4Å; E1673-P1837 HydrophobicContact CG-CB 4.22Å; E1673-P1837 WeakPolarHBondContact OE1-CB 3.49Å; E1673-P1838 WeakPolarHBondContact OE1-CD 3.07Å; E1673-P1838 WeakPolarHBondContact OE2-CD 3.47Å | ||
| 1674 | G | 33.8 | Very low | 29.1 | Very low | 32 Ų | 32 | 112 Ų | 112 | 33% | 0.33 | 60% | 0.596 | S | S | . | * | trans | -128.4 | -154.7 | -154.9 | 0 | 0 | 0 | 0 | 0 | 117 | Q1696 | G1674-Q1696 VanDerWaalsContact N-CD 3.35Š| ||
| 1675 | I | 32 | Very low | 29.2 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 60% | 0.595 | 60% | 0.604 | S | S | * | * | trans | 168.1 | 165.8 | 159.4 | -86.4 | 149.6 | 0 | 0 | 0 | 115.5 | P1842 | I1675-P1842 VanDerWaalsContact CD1-CD 3.4Š| ||
| 1676 | E | 28.8 | Very low | 29.4 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 39% | 0.388 | 61% | 0.614 | S | S | . | * | trans | -73.5 | 160.2 | -162.9 | -57.3 | 176.9 | -167.3 | 0 | 0 | 121.6 | Q1843 S1844 | E1676-Q1843 WeakPolarHBondContact OE1-CA 3.47Å; E1676-Q1843 PolarHBondContact OE1-N 2.75Å; E1676-Q1843 VanDerWaalsContact OE2-CA 3.23Å; E1676-Q1843 WeakPolarHBondContact OE2-CA 3.24Å; E1676-Q1843 PolarHBondContact OE2-N 3.26Å; E1676-S1844 PolarHBondContact OE2-N 3.32Å | ||
| 1677 | Q | 32.4 | Very low | 29.6 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 41% | 0.407 | 62% | 0.622 | S | S | . | * | 172.1 | 158.2 | 110.7 | -166 | 73.3 | 156.9 | 0 | 0 | 113 | S1844 N1845 | Q1677-S1844 WeakPolarHBondContact CG-OG 3.46Å; Q1677-S1844 VanDerWaalsContact NE2-C 3.26Å; Q1677-S1844 PolarHBondContact NE2-O 2.98Å; Q1677-S1844 PolarHBondContact NE2-OG 3.29Å; Q1677-S1844 PolarHBondContact OE1-O 3.03Å; Q1677-S1844 PolarHBondContact OE1-OG 2.79Å; Q1677-N1845 VanDerWaalsContact OE1-CA 3.27Å | |||
| 1678 | Y | 29.1 | Very low | 29.6 | Very low | 188 Ų | 188 | 122.6 Ų | 122.6 | 74% | 0.737 | 62% | 0.624 | S | S | * | * | trans | -68.3 | 165.2 | -174 | -70.2 | -95.1 | 0 | 0 | 0 | 115.9 | ||||
| 1679 | H | 27.4 | Very low | 29.5 | Very low | 148 Ų | 148 | 128 Ų | 128 | 69% | 0.685 | 64% | 0.635 | S | S | * | * | cis | -158.4 | 157.4 | 15.1 | -136 | -65.8 | 0 | 0 | 0 | 113.5 | ||||
| 1680 | N | 27.1 | Very low | 30.3 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | trans | 81.7 | 110.8 | 154.4 | -70.2 | -24.2 | 0 | 0 | 0 | 124.8 | ||||
| 1681 | R | 30.5 | Very low | 30.2 | Very low | 240 Ų | 240 | 132.1 Ų | 132.1 | 91% | 0.906 | 66% | 0.662 | S | S | * | * | trans | 49.9 | 114 | 141.6 | -68.1 | -173.5 | 174.5 | -173.8 | -0.6 | 122.1 | ||||
| 1682 | E | 29.3 | Very low | 29.8 | Very low | 201 Ų | 201 | 131.2 Ų | 131.2 | 94% | 0.939 | 66% | 0.655 | S | S | * | * | trans | -154.6 | -159.8 | 142.9 | -136.5 | 170.5 | -141.6 | 0 | 0 | 114.4 | ||||
| 1683 | S | 29 | Very low | 29.8 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | trans | -151.8 | 166.1 | -153.4 | 74.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1684 | S | 26.7 | Very low | 29.7 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | trans | 95.8 | 122.4 | 147.3 | 76.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1685 | F | 29.4 | Very low | 29.4 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | trans | 45.7 | 108.6 | 140.8 | -74 | -72.8 | 0 | 0 | 0 | 126.2 | ||||
| 1686 | R | 30.8 | Very low | 29.2 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 74% | 0.736 | 64% | 0.642 | S | S | * | * | 87.6 | 126.2 | 112.1 | -135 | -161.4 | 179.2 | 165.8 | 5.9 | 124 | |||||
| 1687 | N | 30.7 | Very low | 29.3 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | trans | 84.7 | 144.2 | 143.3 | -102.6 | 71.2 | 0 | 0 | 0 | 122.2 | ||||
| 1688 | D | 26 | Very low | 29.1 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | trans | 81 | 128.7 | 157.4 | -65.4 | -0.4 | 0 | 0 | 0 | 122.3 | ||||
| 1689 | Y | 23.5 | Very low | 29.1 | Very low | 218 Ų | 218 | 130.7 Ų | 130.7 | 86% | 0.855 | 64% | 0.64 | S | S | * | * | trans | 46.9 | 128.8 | 169 | -64.8 | -78.9 | 0 | 0 | 0 | 122.5 | ||||
| 1690 | L | 43.4 | Very low | 29.2 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 64% | 0.637 | S | S | * | * | trans | -62.6 | 145.2 | 150.3 | -99.5 | 83.3 | 0 | 0 | 0 | 109.1 | ||||
| 1691 | P | 29.5 | Very low | 29.2 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 59% | 0.591 | 64% | 0.635 | S | S | * | * | -148.3 | 178.1 | 68.7 | 42.4 | -24.7 | 0 | 0 | 0 | 117.5 | |||||
| 1692 | T | 27.6 | Very low | 29.2 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 49% | 0.485 | 63% | 0.632 | S | S | . | * | trans | 54.3 | 78.6 | 155.7 | -42.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1693 | R | 29.2 | Very low | 29.5 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 60% | 0.596 | 62% | 0.617 | S | S | * | * | 18.8 | 112 | 120.3 | 178.1 | -175.8 | -176.4 | 175.5 | 0.8 | 116.9 | E1670 R1834 | E1670-R1693 WeakPolarHBondContact OE1-CG 3.32Å; E1670-R1693 IonicContact OE1-NE 3.84Å; E1670-R1693 PolarHBondContact OE1-NE 3.04Å; E1670-R1693 IonicContact OE2-CZ 3.4Å; E1670-R1693 IonicContact OE2-NE 3.71Å; E1670-R1693 PolarHBondContact OE2-NE 2.88Å; E1670-R1693 IonicContact OE2-NH2 3.79Å; E1670-R1693 PolarHBondContact OE2-NH2 3.26Å; R1693-R1834 PolarHBondContact NH2-O 3.08Å | |||
| 1694 | Q | 27.9 | Very low | 29.3 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 54% | 0.537 | 63% | 0.625 | S | S | . | * | trans | -161.2 | 133.8 | 140.7 | -113.3 | -165.3 | 89.4 | 0 | 0 | 111.8 | N1669 E1670 | N1669-Q1694 WeakPolarHBondContact O-CG 3.32Å; N1669-Q1694 PolarHBondContact O-NE2 2.89Å; N1669-Q1694 VanDerWaalsContact O-NE2 3.12Å; N1669-Q1694 PolarHBondContact O-OE1 3.26Å; E1670-Q1694 HydrophobicContact CG-CG 3.8Å | ||
| 1695 | Q | 28 | Very low | 29.6 | Very low | 59 Ų | 59 | 132.2 Ų | 132.2 | 28% | 0.276 | 63% | 0.628 | S | S | . | * | trans | 74.2 | 94.9 | 144.7 | -43.8 | -93.4 | -13 | 0 | 0 | 120.6 | P1671 Q1836 | P1671-Q1695 PolarHBondContact O-NE2 3.39Å; P1671-Q1695 PolarHBondContact O-OE1 3.47Å; Q1695-Q1836 WeakPolarHBondContact CA-O 3.34Å; Q1695-Q1836 HydrophobicContact CB-CB 4.48Å; Q1695-Q1836 HydrophobicContact CG-CB 4.28Å | ||
| 1696 | Q | 27.8 | Very low | 30.2 | Very low | 47 Ų | 47 | 127 Ų | 127 | 22% | 0.22 | 61% | 0.614 | C | S | . | * | trans | 59.8 | 138.8 | 155.4 | -137.2 | 120.9 | 21 | 0 | 0 | 120.4 | E1673 G1674 Q1836 P1837 | E1673-Q1696 VanDerWaalsContact N-OE1 3.15Å; E1673-Q1696 PolarHBondContact O-OE1 3.4Å; G1674-Q1696 VanDerWaalsContact N-CD 3.35Å; Q1696-Q1836 PolarHBondContact N-O 2.95Å; Q1696-Q1836 VanDerWaalsContact N-O 3.1Å; Q1696-P1837 HydrophobicContact CB-CG 4.48Å; Q1696-P1837 HydrophobicContact CG-CG 3.92Å; Q1696-P1837 VanDerWaalsContact NE2-CG 3.33Å | ||
| 1697 | S | 29.3 | Very low | 29.9 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | cis | -160.7 | 160.8 | 4.3 | 4.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1698 | E | 28.9 | Very low | 29.7 | Very low | 50 Ų | 50 | 126.2 Ų | 126.2 | 23% | 0.234 | 62% | 0.615 | C | S | . | * | cis | -117.8 | -62.5 | -29.4 | -80.6 | -162.6 | 85 | 0 | 0 | 109 | R1832 R1834 | E1698-R1832 WeakPolarHBondContact OE1-CD 3.32Å; E1698-R1832 IonicContact OE1-CZ 2.75Å; E1698-R1832 IonicContact OE1-NE 3.49Å; E1698-R1832 IonicContact OE1-NH1 3.09Å; E1698-R1832 PolarHBondContact OE1-NH1 3.12Å; E1698-R1832 IonicContact OE2-CZ 2.71Å; E1698-R1832 IonicContact OE2-NH1 3.45Å; E1698-R1832 PolarHBondContact OE2-NH1 2.96Å; E1698-R1834 PolarHBondContact O-NH2 3.33Å | ||
| 1699 | D | 29.7 | Very low | 29.8 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | -101.2 | -179.3 | -73.9 | -167.2 | 17.2 | 0 | 0 | 0 | 109.2 | R1701 R1832 | D1699-R1701 PolarHBondContact O-N 3.03Å; D1699-R1832 IonicContact OD1-CZ 3.19Å; D1699-R1832 IonicContact OD1-NH1 3.22Å; D1699-R1832 IonicContact OD1-NH2 2.68Å; D1699-R1832 PolarHBondContact OD1-NH2 3.32Å | |||
| 1700 | Y | 28.8 | Very low | 29.8 | Very low | 158 Ų | 158 | 122.6 Ų | 122.6 | 62% | 0.62 | 61% | 0.61 | S | S | * | * | trans | -36.6 | 102.4 | -166.7 | -82.2 | -93.5 | 0 | 0 | 0 | 115.6 | R1831 | Y1700-R1831 PolarHBondContact OH-NH2 3.12Š| ||
| 1701 | R | 28.4 | Very low | 29 | Very low | 176 Ų | 176 | 122 Ų | 122 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | 83.5 | 150.4 | 83.4 | -107.3 | -163.6 | -179.7 | -153.1 | 1.4 | 116.3 | D1699 I1833 | D1699-R1701 PolarHBondContact O-N 3.03Å; R1701-I1833 HydrophobicContact CG-CG1 4.47Å | |||
| 1702 | R | 28.8 | Very low | 28.9 | Very low | 224 Ų | 224 | 124.8 Ų | 124.8 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | trans | -140.1 | 165.6 | -163.6 | -150.7 | -157.2 | -87.8 | -171.3 | -7.1 | 113.2 | ||||
| 1703 | T | 35.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 63% | 0.632 | 62% | 0.617 | S | S | * | * | trans | -26.5 | 148.4 | 167.9 | 52.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1704 | E | 26.8 | Very low | 28.9 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 87% | 0.874 | 63% | 0.63 | S | S | * | * | -177.3 | -178.1 | 108.9 | -98.6 | 167.2 | -141.7 | 0 | 0 | 111.8 | |||||
| 1705 | S | 31.7 | Very low | 29 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -149.1 | 168.1 | -168.8 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1706 | P | 41.8 | Very low | 29.1 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | cis | -125.9 | -171.7 | -36.1 | 33.6 | -16 | 0 | 0 | 0 | 112.9 | ||||
| 1707 | I | 25.9 | Very low | 29.3 | Very low | 129 Ų | 129 | 142 Ų | 142 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | trans | 104.1 | 99.1 | 166 | -56.5 | 178.3 | 0 | 0 | 0 | 118.3 | ||||
| 1708 | K | 25.7 | Very low | 29.7 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | trans | 53.8 | 98.4 | 135.5 | -60.5 | -176.5 | -179.9 | 179.9 | 0 | 122.7 | ||||
| 1709 | S | 27 | Very low | 29.7 | Very low | 97 Ų | 97 | 150.9 Ų | 150.9 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | 56.2 | 135.5 | 119.2 | 68.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1710 | F | 23.9 | Very low | 29.7 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 75% | 0.746 | 73% | 0.731 | S | S | * | * | -162.3 | -176.9 | 108.3 | -125.7 | -111.6 | 0 | 0 | 0 | 114.4 | |||||
| 1711 | K | 27.5 | Very low | 29.5 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | trans | -77.9 | -172.3 | -164.7 | -50.9 | 168.9 | -172.3 | 176.6 | 0 | 112.9 | ||||
| 1712 | Q | 26.7 | Very low | 29.8 | Very low | 150 Ų | 150 | 146 Ų | 146 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | cis | 177.7 | 173.6 | 34.2 | -150.8 | 179.8 | 29.1 | 0 | 0 | 114.4 | ||||
| 1713 | K | 25.4 | Very low | 29.5 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 85.3 | 136.3 | 158.8 | -62 | 159.3 | -175 | 168.9 | 0 | 116.2 | ||||
| 1714 | Y | 32.8 | Very low | 28.9 | Very low | 220 Ų | 220 | 142.8 Ų | 142.8 | 86% | 0.863 | 74% | 0.741 | S | S | * | * | cis | -89.1 | 152.9 | 39.6 | -70.9 | -101.8 | 0 | 0 | 0 | 114.3 | ||||
| 1715 | K | 28 | Very low | 28.8 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | 53.2 | 126.7 | 64.2 | -72.9 | -172.5 | 174.7 | -173.8 | 0 | 111 | |||||
| 1716 | S | 31.9 | Very low | 28.3 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | cis | -168.2 | 167 | 39.4 | 39.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1717 | H | 30.1 | Very low | 27.5 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 75% | 0.75 | 74% | 0.735 | S | S | * | * | cis | -155.5 | 165.3 | -16.6 | -113.1 | -68.2 | 0 | 0 | 0 | 110.2 | ||||
| 1718 | K | 38.3 | Very low | 27.6 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -70.1 | 162.9 | 171.4 | -84.6 | -173.8 | 178.1 | -171.7 | 0 | 111.9 | ||||
| 1719 | P | 28.4 | Very low | 27.7 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | -147.6 | -146.5 | 56.5 | 43.5 | -20.9 | 0 | 0 | 0 | 117 | |||||
| 1720 | S | 29.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -109.3 | -175.8 | -151.8 | 58 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1721 | N | 25.3 | Very low | 28.1 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | 88.1 | 86.3 | 172.1 | -62.7 | 18.2 | 0 | 0 | 0 | 116.6 | ||||
| 1722 | S | 34.4 | Very low | 28.2 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -39.7 | 153.8 | 147 | 56.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1723 | P | 23.6 | Very low | 28.3 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | -75.2 | 127.5 | 122.5 | 33.7 | -28.7 | 0 | 0 | 0 | 108.7 | |||||
| 1724 | L | 22.5 | Very low | 28.4 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | 57.3 | 130.4 | 67.8 | -75.1 | 168.4 | 0 | 0 | 0 | 113.2 | |||||
| 1725 | L | 23.1 | Very low | 28.2 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | 65.3 | 127.9 | 173.8 | -85.7 | 62.9 | 0 | 0 | 0 | 113.9 | ||||
| 1726 | S | 22.4 | Very low | 28.1 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | cis | 69.1 | 146.3 | 27.6 | -38.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1727 | S | 24.2 | Very low | 27.8 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | trans | 65.1 | 131.5 | -165.1 | 75.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1728 | H | 29.2 | Very low | 27.9 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | S | Bend | cis | -77.6 | 121.1 | -8.8 | -77.4 | -92.3 | 0 | 0 | 0 | 109.8 | ||
| 1729 | H | 27.9 | Very low | 27.5 | Very low | 126 Ų | 126 | 129 Ų | 129 | 58% | 0.583 | 72% | 0.719 | S | S | * | * | 73.8 | 130.8 | 75.1 | -86.2 | -20.6 | 0 | 0 | 0 | 111.7 | |||||
| 1730 | M | 28 | Very low | 27.4 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | 57.6 | 128.9 | 107.9 | -44.9 | -83 | -151.1 | 0 | 0 | 112.7 | |||||
| 1731 | H | 31.3 | Very low | 27 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | cis | -126.1 | 152.2 | 17.3 | -97.9 | -95.7 | 0 | 0 | 0 | 110.1 | ||||
| 1732 | E | 27.8 | Very low | 26.9 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | 45.6 | 157.5 | 94.5 | -52.9 | -175.6 | 153.6 | 0 | 0 | 118 | |||||
| 1733 | N | 30.2 | Very low | 26.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 65% | 0.652 | 68% | 0.683 | S | S | * | * | trans | 78.1 | 115.3 | 151.6 | -58.6 | -40.3 | 0 | 0 | 0 | 120.1 | ||||
| 1734 | S | 28 | Very low | 26.7 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | trans | 69.3 | 149.9 | 136.1 | 66.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1735 | H | 26.8 | Very low | 26.7 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 78% | 0.778 | 68% | 0.683 | S | S | * | * | cis | -152.4 | 122.2 | -20.7 | -108.5 | -56.2 | 0 | 0 | 0 | 105.1 | ||||
| 1736 | S | 25.8 | Very low | 26.9 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 65% | 0.65 | 68% | 0.681 | S | S | * | * | 54.1 | 146.7 | 102.8 | 73.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1737 | Q | 27.3 | Very low | 27.2 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | 37.9 | 151 | 72.2 | -89.5 | -156.2 | 17.6 | 0 | 0 | 115.3 | |||||
| 1738 | P | 31.9 | Very low | 27.2 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 60% | 0.597 | 68% | 0.678 | S | S | * | * | cis | -131.7 | -143.5 | -21.1 | 40.4 | -21.5 | 0 | 0 | 0 | 110.1 | I1740 | P1738-I1740 PolarHBondContact O-N 3.01Š| ||
| 1739 | N | 30.5 | Very low | 27.1 | Very low | 164 Ų | 164 | 125 Ų | 125 | 88% | 0.877 | 66% | 0.662 | S | S | * | * | trans | -69.4 | 103.1 | 165.2 | -99.7 | -22.2 | 0 | 0 | 0 | 111.6 | ||||
| 1740 | I | 24.5 | Very low | 27 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | trans | -135.6 | 102.7 | 156.3 | -64.7 | -179.7 | 0 | 0 | 0 | 103.9 | P1738 | P1738-I1740 PolarHBondContact O-N 3.01Š| ||
| 1741 | L | 22.3 | Very low | 26.9 | Very low | 83 Ų | 83 | 121.9 Ų | 121.9 | 44% | 0.435 | 65% | 0.653 | S | S | . | * | 64.2 | 117.9 | 53.1 | -167.1 | 130.7 | 0 | 0 | 0 | 113.3 | N1233 | N1233-L1741 WeakPolarHBondContact O-CD1 3.37Å; N1233-L1741 WeakPolarHBondContact O-CD2 3.49Å | |||
| 1742 | K | 22.7 | Very low | 26.6 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 48% | 0.483 | 66% | 0.657 | S | S | . | * | trans | 69.2 | 155.6 | -178.3 | -74.9 | 174.2 | 156.6 | 172.1 | 0 | 114.6 | Q1234 S1235 | Q1234-K1742 WeakPolarHBondContact O-CE 3.42Å; Q1234-K1742 PolarHBondContact O-NZ 3.22Å; S1235-K1742 WeakPolarHBondContact O-CE 3.29Å; S1235-K1742 PolarHBondContact O-NZ 2.85Å; S1235-K1742 PolarHBondContact OG-NZ 3.19Å | ||
| 1743 | N | 24.6 | Very low | 26.5 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | cis | -144.4 | 158.8 | 9.1 | -135.5 | 3.2 | 0 | 0 | 0 | 110.9 | ||||
| 1744 | V | 28.9 | Very low | 26.3 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 62% | 0.624 | 66% | 0.657 | S | S | * | * | trans | 57 | 95.7 | 166.2 | -173.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1745 | C | 24.5 | Very low | 26.3 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 87% | 0.872 | 65% | 0.651 | S | S | * | * | cis | 49.8 | 69.7 | 48 | -66 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1746 | N | 26.9 | Very low | 26.3 | Very low | 132 Ų | 132 | 113 Ų | 113 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | trans | -148.5 | 129.5 | 149.4 | -81 | -13.5 | 0 | 0 | 0 | 105.8 | ||||
| 1747 | D | 28.3 | Very low | 26.6 | Very low | 96 Ų | 96 | 109.5 Ų | 109.5 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | cis | -143.6 | 157.9 | -13.9 | -79.7 | -51.9 | 0 | 0 | 0 | 108.7 | K677 | K677-D1747 IonicContact NZ-OD2 2.96Å; K677-D1747 PolarHBondContact NZ-OD2 3.33Å | ||
| 1748 | N | 24.8 | Very low | 27 | Very low | 137 Ų | 137 | 105.6 Ų | 105.6 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | trans | -68.9 | 141.8 | 153 | -55.5 | -68.6 | 0 | 0 | 0 | 108.2 | ||||
| 1749 | Q | 26.8 | Very low | 27.1 | Very low | 101 Ų | 101 | 104.3 Ų | 104.3 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | 176.6 | 160.3 | 105.4 | -106 | 179.4 | -98.8 | 0 | 0 | 116.7 | |||||
| 1750 | D | 25.5 | Very low | 27.2 | Very low | 79 Ų | 79 | 98.8 Ų | 98.8 | 42% | 0.422 | 54% | 0.543 | S | S | . | . | trans | 76.3 | 97.8 | 146.5 | -62 | -10 | 0 | 0 | 0 | 121.3 | ||||
| 1751 | N | 25.6 | Very low | 27.7 | Very low | 127 Ų | 127 | 95.6 Ų | 95.6 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | 85.6 | 144.8 | 107.2 | -64.3 | -23.1 | 0 | 0 | 0 | 122 | |||||
| 1752 | T | 25.1 | Very low | 27.9 | Very low | 116 Ų | 116 | 96.5 Ų | 96.5 | 71% | 0.712 | 54% | 0.54 | S | S | * | . | trans | 60.4 | 122.7 | 147.1 | 47.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1753 | D | 25.2 | Very low | 28.2 | Very low | 137 Ų | 137 | 98.7 Ų | 98.7 | 73% | 0.733 | 56% | 0.557 | S | S | * | * | 74.4 | 149 | 128.6 | -67.6 | 32.7 | 0 | 0 | 0 | 119 | |||||
| 1754 | T | 27.2 | Very low | 28.3 | Very low | 97 Ų | 97 | 97.4 Ų | 97.4 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | cis | -154.9 | 172 | -14.4 | -106.9 | 0 | 0 | 0 | 0 | 109.5 | D1756 | T1754-D1756 PolarHBondContact O-N 3.38Š| ||
| 1755 | V | 26.9 | Very low | 28.1 | Very low | 97 Ų | 97 | 97.7 Ų | 97.7 | 59% | 0.588 | 56% | 0.564 | S | S | * | * | trans | -16.9 | 110.5 | 159.8 | 163.8 | 0 | 0 | 0 | 0 | 112.7 | N1906 | V1755-N1906 HydrophobicContact CG1-CB 4.47Š| ||
| 1756 | D | 28.1 | Very low | 28.3 | Very low | 38 Ų | 38 | 96.3 Ų | 96.3 | 20% | 0.203 | 56% | 0.556 | C | S | . | * | 70.5 | 126.4 | 97 | -77 | -126 | 0 | 0 | 0 | 112.2 | T1754 K1904 S1905 N1906 | T1754-D1756 PolarHBondContact O-N 3.38Å; D1756-K1904 WeakPolarHBondContact OD1-CG 3.44Å; D1756-K1904 IonicContact OD1-NZ 3.63Å; D1756-K1904 PolarHBondContact OD1-NZ 2.95Å; D1756-K1904 WeakPolarHBondContact OD2-CB 3.2Å; D1756-K1904 IonicContact OD2-NZ 2.92Å; D1756-K1904 PolarHBondContact OD2-NZ 3.07Å; D1756-S1905 WeakPolarHBondContact OD1-CA 3.22Å; D1756-S1905 PolarHBondContact OD1-N 2.9Å; D1756-S1905 PolarHBondContact OD1-OG 2.7Å; D1756-S1905 VanDerWaalsContact OD1-OG 3.14Å; D1756-N1906 CarbonylContact C-O 3.6Å; D1756-N1906 HydrophobicContact CB-CB 3.81Å; D1756-N1906 WeakPolarHBondContact O-CB 3.1Å; D1756-N1906 VanDerWaalsContact O-O 3.11Å | |||
| 1757 | G | 32.1 | Very low | 28.3 | Very low | 19 Ų | 19 | 97.5 Ų | 97.5 | 20% | 0.196 | 55% | 0.552 | C | S | . | * | cis | 147.4 | -129.9 | 12.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R668 K1904 N1906 | R668-G1757 PolarHBondContact NH1-O 2.82Å; G1757-K1904 WeakPolarHBondContact CA-O 3.37Å; G1757-N1906 CarbonylContact C-O 2.99Å; G1757-N1906 WeakPolarHBondContact CA-O 3.37Å; G1757-N1906 PolarHBondContact N-O 2.83Å | ||
| 1758 | K | 34.1 | Very low | 28.4 | Very low | 94 Ų | 94 | 98.5 Ų | 98.5 | 41% | 0.409 | 56% | 0.563 | S | S | . | * | trans | 41.8 | 154.2 | 162.7 | -70.4 | -177.4 | -160.3 | 154.9 | 0 | 126.9 | R668 S1905 N1906 | R668-K1758 WeakPolarHBondContact CD-O 3.42Å; R668-K1758 PolarHBondContact NE-O 3.45Å; R668-K1758 PolarHBondContact NH1-O 2.88Å; K1758-S1905 WeakPolarHBondContact CE-O 3.22Å; K1758-N1906 PolarHBondContact NZ-OD1 2.95Å | ||
| 1759 | H | 35.1 | Very low | 29.2 | Very low | 65 Ų | 65 | 96.9 Ų | 96.9 | 30% | 0.301 | 56% | 0.56 | S | S | . | * | trans | 92.3 | 144.7 | 146 | -75.1 | -61.2 | 0 | 0 | 0 | 119.5 | ||||
| 1760 | S | 32.1 | Very low | 29.2 | Very low | 47 Ų | 47 | 99.5 Ų | 99.5 | 33% | 0.329 | 58% | 0.577 | S | S | . | * | cis | -164.5 | -176.1 | -4.2 | -123.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1761 | P | 34.5 | Very low | 29.5 | Very low | 73 Ų | 73 | 100 Ų | 100 | 47% | 0.474 | 58% | 0.584 | S | S | . | * | cis | -116.9 | 144.5 | -17.1 | 14.1 | 10.3 | 0 | 0 | 0 | 112.4 | N1911 | P1761-N1911 WeakPolarHBondContact CG-O 3.38Š| ||
| 1762 | V | 27.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 100.7 Ų | 100.7 | 62% | 0.618 | 58% | 0.583 | S | S | * | * | 56.5 | 128.6 | 80.9 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1763 | N | 28.5 | Very low | 29.3 | Very low | 157 Ų | 157 | 102 Ų | 102 | 84% | 0.84 | 58% | 0.581 | S | S | * | * | cis | -118.8 | -143.8 | 15.6 | -151 | 2.2 | 0 | 0 | 0 | 111.4 | ||||
| 1764 | S | 25.9 | Very low | 29.3 | Very low | 100 Ų | 100 | 102.2 Ų | 102.2 | 70% | 0.699 | 58% | 0.578 | S | S | * | * | cis | -154 | -169.3 | 6.9 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1765 | S | 26.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 104.6 Ų | 104.6 | 76% | 0.755 | 59% | 0.587 | S | S | * | * | trans | -82 | 159.7 | -179.5 | 49.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1766 | S | 27.9 | Very low | 29.3 | Very low | 100 Ų | 100 | 107 Ų | 107 | 70% | 0.699 | 59% | 0.591 | S | S | * | * | cis | 178.5 | 154 | -13.3 | -174.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1767 | Y | 27.2 | Very low | 29.1 | Very low | 158 Ų | 158 | 113.7 Ų | 113.7 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | cis | -134.1 | 160.5 | -7.2 | -138.8 | -149.2 | 0 | 0 | 0 | 107.6 | P1769 | Y1767-P1769 WeakPolarHBondContact O-CD 3.49Š| ||
| 1768 | P | 30.5 | Very low | 28.7 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 75% | 0.753 | 65% | 0.646 | S | S | * | * | trans | -106.8 | 122.5 | -131.9 | 35.8 | -34.5 | 0 | 0 | 0 | 117.1 | ||||
| 1769 | P | 40.9 | Very low | 28.2 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | trans | -115.6 | 179.8 | 169.2 | 43.3 | -33.7 | 0 | 0 | 0 | 112.8 | Y1767 | Y1767-P1769 WeakPolarHBondContact O-CD 3.49Š| ||
| 1770 | L | 27.6 | Very low | 27.6 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 82% | 0.822 | 69% | 0.686 | S | S | * | * | trans | 65.3 | -179.9 | 163.2 | -63.4 | 164.5 | 0 | 0 | 0 | 114.2 | ||||
| 1771 | P | 30.6 | Very low | 27.6 | Very low | 88 Ų | 88 | 136.2 Ų | 136.2 | 57% | 0.571 | 71% | 0.707 | S | S | * | * | -134.7 | -171.2 | -71.6 | 41.9 | -27.7 | 0 | 0 | 0 | 113.5 | |||||
| 1772 | H | 23.6 | Very low | 27.2 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | trans | 74.3 | 124 | 153.2 | -68 | -27.4 | 0 | 0 | 0 | 116.4 | ||||
| 1773 | Q | 23.9 | Very low | 27.3 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | 77.1 | 141.2 | 91.3 | -66.9 | 164.5 | -28.6 | 0 | 0 | 112.3 | |||||
| 1774 | Q | 24 | Very low | 27.5 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | cis | -142.2 | 144.9 | 10.4 | -139.9 | 146 | -33.3 | 0 | 0 | 112.1 | H1776 | Q1774-H1776 PolarHBondContact O-N 3.47Š| ||
| 1775 | N | 30.4 | Very low | 27.4 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -67.1 | 112.4 | 150.5 | -73 | -8.5 | 0 | 0 | 0 | 107.3 | ||||
| 1776 | H | 24.3 | Very low | 27.3 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 68% | 0.676 | 72% | 0.723 | S | S | * | * | trans | -137.4 | 117.4 | 135.1 | -91.5 | -85.2 | 0 | 0 | 0 | 105.8 | Q1774 | Q1774-H1776 PolarHBondContact O-N 3.47Š| ||
| 1777 | Y | 23.6 | Very low | 27.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 63.8 | 91.5 | 79.1 | -82.4 | -74.5 | 0 | 0 | 0 | 111.7 | |||||
| 1778 | Q | 23.6 | Very low | 27.2 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | -168.8 | 131.2 | 107.2 | -91.7 | 160.4 | -2.4 | 0 | 0 | 106.2 | |||||
| 1779 | D | 23.3 | Very low | 27 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | 72.6 | 79.7 | 57.4 | -69.7 | -59.8 | 0 | 0 | 0 | 113.4 | |||||
| 1780 | E | 23.3 | Very low | 26.1 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | trans | -123.7 | 110.3 | 133.4 | -79.3 | -147.6 | 140.2 | 0 | 0 | 110.8 | ||||
| 1781 | R | 31.5 | Very low | 26.1 | Very low | 205 Ų | 205 | 144.8 Ų | 144.8 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | trans | -86.3 | 149.8 | 136.4 | -78 | 179.6 | 172.3 | 175.8 | 1.3 | 106.7 | ||||
| 1782 | P | 27.1 | Very low | 25.8 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | -106.7 | 178.8 | 80.6 | 31.2 | -37.1 | 0 | 0 | 0 | 114.1 | |||||
| 1783 | R | 29.6 | Very low | 26 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 75% | 0.751 | 75% | 0.75 | S | S | * | * | cis | 34.5 | 143.9 | -29.6 | -82.3 | -169.7 | 170.1 | -123 | -3.2 | 121.7 | ||||
| 1784 | P | 32.1 | Very low | 25.9 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | cis | -105.6 | -177.2 | 22.9 | 17 | 5.5 | 0 | 0 | 0 | 111.8 | ||||
| 1785 | I | 24 | Very low | 25.9 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | -170.9 | 155.3 | 63.2 | -82.5 | 176.3 | 0 | 0 | 0 | 106.8 | |||||
| 1786 | V | 24.8 | Very low | 25.5 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | cis | -156.4 | -172 | -19.7 | 144.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1787 | E | 24.4 | Very low | 25.5 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -88.8 | -152.7 | 170.7 | -67.4 | 173.4 | -155.9 | 0 | 0 | 110.5 | ||||
| 1788 | S | 28.5 | Very low | 25.5 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | -157.2 | 129.3 | 13.5 | -51.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1789 | I | 25.4 | Very low | 26 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | 88.8 | 136.9 | 84.9 | -71.1 | 168.7 | 0 | 0 | 0 | 116 | |||||
| 1790 | S | 23.3 | Very low | 26 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 67.8 | 136 | 159.3 | -71.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1791 | N | 26.3 | Very low | 26.1 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | -150.1 | 157.3 | 120.4 | -122.1 | -21.7 | 0 | 0 | 0 | 112.3 | |||||
| 1792 | D | 25 | Very low | 25.9 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | trans | -81.7 | -174.8 | -171.3 | -76.1 | -55.8 | 0 | 0 | 0 | 115.3 | ||||
| 1793 | L | 26.7 | Very low | 25.9 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | trans | 93.2 | 117.6 | 148.8 | -75.5 | 164 | 0 | 0 | 0 | 119.7 | ||||
| 1794 | S | 22.5 | Very low | 25.7 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -83.8 | 143.2 | 159.6 | 54.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1795 | S | 23.5 | Very low | 25.5 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -152.7 | 130.3 | 150.4 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1796 | L | 23.1 | Very low | 25.4 | Very low | 143 Ų | 143 | 126 Ų | 126 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | 45.7 | 144.4 | 128.6 | -79 | 81.8 | 0 | 0 | 0 | 120.8 | |||||
| 1797 | E | 23.4 | Very low | 25.5 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | cis | -165.9 | -168 | -18.9 | -141.5 | 163.2 | -151.1 | 0 | 0 | 110.3 | V1799 | E1797-V1799 PolarHBondContact O-N 3.03Š| ||
| 1798 | S | 24.5 | Very low | 25.6 | Very low | 80 Ų | 80 | 122.6 Ų | 122.6 | 56% | 0.559 | 71% | 0.712 | S | S | * | * | trans | -43.8 | 122.8 | 170.8 | 49.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1799 | V | 33.2 | Very low | 25.5 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | trans | -141.4 | 81 | 143.9 | -177.6 | 0 | 0 | 0 | 0 | 105.6 | E1797 | E1797-V1799 PolarHBondContact O-N 3.03Š| ||
| 1800 | T | 24.1 | Very low | 25.7 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 64% | 0.638 | 70% | 0.695 | S | S | * | * | 19.5 | 106.2 | 79.3 | 58 | 0 | 0 | 0 | 0 | 112 | |||||
| 1801 | S | 25.9 | Very low | 26 | Very low | 90 Ų | 90 | 120.4 Ų | 120.4 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | -174.6 | 141.5 | 65.9 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1802 | Q | 27.4 | Very low | 26.1 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | 75.1 | 171 | 104 | -60.2 | 179.3 | 16.1 | 0 | 0 | 112.6 | |||||
| 1803 | Q | 26.9 | Very low | 26.7 | Very low | 142 Ų | 142 | 113.2 Ų | 113.2 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | cis | -155.3 | 131.3 | 20.8 | -152.3 | 159.8 | 63 | 0 | 0 | 113.2 | ||||
| 1804 | T | 24.4 | Very low | 26.8 | Very low | 108 Ų | 108 | 108.8 Ų | 108.8 | 66% | 0.663 | 63% | 0.625 | S | S | * | * | trans | 63.1 | 158.7 | 144.8 | 54.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1805 | V | 28 | Very low | 27.1 | Very low | 129 Ų | 129 | 108.1 Ų | 108.1 | 78% | 0.782 | 62% | 0.616 | S | S | * | * | cis | -129.1 | 124.9 | 26.8 | -165.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1806 | C | 23 | Very low | 27.4 | Very low | 93 Ų | 93 | 109.3 Ų | 109.3 | 63% | 0.628 | 62% | 0.615 | S | S | * | * | 53 | 138.2 | 81.1 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1807 | S | 26.5 | Very low | 27.5 | Very low | 78 Ų | 78 | 107 Ų | 107 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | cis | -147.8 | 155.4 | 30.2 | -79 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1808 | L | 25.6 | Very low | 27.7 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 68% | 0.681 | 61% | 0.61 | S | S | * | * | 55 | 132.6 | 67.7 | -52 | 170.8 | 0 | 0 | 0 | 111.8 | |||||
| 1809 | N | 27.4 | Very low | 27.9 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 43% | 0.428 | 61% | 0.614 | S | S | . | * | cis | -156.6 | 170 | 15.6 | -113.9 | 11.5 | 0 | 0 | 0 | 108.8 | ||||
| 1810 | E | 28.8 | Very low | 27.5 | Very low | 122 Ų | 122 | 110.2 Ų | 110.2 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | cis | 81.3 | 117.1 | 15.3 | -142.2 | -168.2 | -92.4 | 0 | 0 | 118.3 | Q1812 | E1810-Q1812 HydrophobicContact CG-CB 4.03Å; E1810-Q1812 PolarHBondContact OE2-NE2 3.01Å | ||
| 1811 | S | 29.5 | Very low | 27.7 | Very low | 86 Ų | 86 | 113.3 Ų | 113.3 | 60% | 0.601 | 62% | 0.62 | S | S | * | * | trans | -140.6 | 108.8 | 171.4 | -52.8 | 0 | 0 | 0 | 0 | 108.6 | Q1508 | Q1508-S1811 VanDerWaalsContact O-CB 3.28Å; Q1508-S1811 WeakPolarHBondContact O-CB 3.29Å; Q1508-S1811 PolarHBondContact O-OG 2.85Å | ||
| 1812 | Q | 28.1 | Very low | 27.6 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | trans | -153.3 | -54.2 | -152.9 | 168.8 | -89.1 | 118.8 | 0 | 0 | 117.2 | E1810 | E1810-Q1812 HydrophobicContact CG-CB 4.03Å; E1810-Q1812 PolarHBondContact OE2-NE2 3.01Å | ||
| 1813 | P | 38.9 | Very low | 27.8 | Very low | 35 Ų | 35 | 115.6 Ų | 115.6 | 23% | 0.227 | 63% | 0.625 | C | S | . | * | trans | -93.2 | -172.1 | -169.6 | 29.4 | -22.9 | 0 | 0 | 0 | 115.4 | Q1509 D1510 H1511 | Q1509-P1813 HydrophobicContact CG-CG 4.25Å; D1510-P1813 CarbonylContact C-O 3.51Å; D1510-P1813 VanDerWaalsContact CA-O 3.31Å; D1510-P1813 WeakPolarHBondContact CA-O 3.39Å; D1510-P1813 WeakPolarHBondContact CB-O 3.23Å; D1510-P1813 WeakPolarHBondContact OD1-CD 3.48Å; D1510-P1813 WeakPolarHBondContact OD1-CG 3.49Å; H1511-P1813 PolarHBondContact N-O 3.1Å; H1511-P1813 PolarHBondContact ND1-O 3.38Å | ||
| 1814 | I | 28.1 | Very low | 27.7 | Very low | 76 Ų | 76 | 117 Ų | 117 | 39% | 0.39 | 63% | 0.629 | S | S | . | * | trans | -155.4 | 130.2 | 130.5 | -142.4 | 165.4 | 0 | 0 | 0 | 108.7 | D1510 H1511 | D1510-I1814 HydrophobicContact CB-CB 4.12Å; D1510-I1814 HydrophobicContact CB-CD1 3.68Å; D1510-I1814 HydrophobicContact CB-CG1 3.58Å; H1511-I1814 HydrophobicContact CB-CB 3.58Å; H1511-I1814 HydrophobicContact CB-CD1 4.02Å; H1511-I1814 HydrophobicContact CB-CG1 4.35Å; H1511-I1814 HydrophobicContact CB-CG2 3.6Å; H1511-I1814 WeakPolarHBondContact CD2-CG2 3.35Å; H1511-I1814 PolarHBondContact CE1-N 2.8Å; H1511-I1814 VanDerWaalsContact CG-CG2 3.47Å; H1511-I1814 PolarHBondContact ND1-N 2.7Å | ||
| 1815 | T | 29.5 | Very low | 28.1 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 60% | 0.601 | 63% | 0.632 | S | S | * | * | trans | 31.8 | 149.1 | 142.1 | 70.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1816 | D | 28 | Very low | 28.3 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 68% | 0.679 | 64% | 0.637 | S | S | * | * | cis | -170.8 | -179.1 | 2.1 | -115.2 | 29.4 | 0 | 0 | 0 | 108.6 | ||||
| 1817 | S | 26.3 | Very low | 29 | Very low | 94 Ų | 94 | 119.1 Ų | 119.1 | 66% | 0.657 | 64% | 0.637 | S | S | * | * | cis | 173.2 | -161.2 | -35.4 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1818 | Y | 28.2 | Very low | 29.5 | Very low | 186 Ų | 186 | 121.7 Ų | 121.7 | 73% | 0.729 | 64% | 0.644 | S | S | * | * | trans | 72.3 | 109.1 | 165.2 | -74.4 | -79.3 | 0 | 0 | 0 | 122.1 | ||||
| 1819 | D | 28.5 | Very low | 29.8 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 65% | 0.652 | 64% | 0.644 | S | S | * | * | trans | 73.5 | 110.9 | 134 | -82.1 | -28.9 | 0 | 0 | 0 | 125.7 | ||||
| 1820 | N | 24.3 | Very low | 30 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | 39.9 | 119.2 | 112.3 | -77 | -54.9 | 0 | 0 | 0 | 121.2 | |||||
| 1821 | I | 29.3 | Very low | 29.8 | Very low | 169 Ų | 169 | 125.7 Ų | 125.7 | 87% | 0.867 | 65% | 0.652 | S | S | * | * | 178.9 | 148.1 | 110.7 | -93.7 | 161.1 | 0 | 0 | 0 | 110.9 | |||||
| 1822 | Q | 23.6 | Very low | 29.7 | Very low | 172 Ų | 172 | 122.8 Ų | 122.8 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | trans | -91.9 | 140.8 | 171.7 | -61.6 | 177.9 | -6.4 | 0 | 0 | 112 | ||||
| 1823 | N | 29.9 | Very low | 29.9 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 67% | 0.674 | 61% | 0.613 | S | S | * | * | -176.7 | 141.4 | 126.5 | -102.7 | -69.9 | 0 | 0 | 0 | 114.2 | |||||
| 1824 | K | 26 | Very low | 30.1 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | trans | 8.1 | 138.1 | 144.1 | -47.1 | 173.6 | -172 | 98.3 | 0 | 117.3 | ||||
| 1825 | T | 32.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 125 Ų | 125 | 73% | 0.73 | 63% | 0.63 | S | S | * | * | -166 | 143.7 | 61.2 | 43.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1826 | N | 31.8 | Very low | 30.4 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 89% | 0.888 | 60% | 0.603 | S | S | * | * | trans | 51 | 162.7 | 140.3 | -61.7 | -3.8 | 0 | 0 | 0 | 122.7 | ||||
| 1827 | S | 37.4 | Very low | 30.4 | Very low | 89 Ų | 89 | 114.6 Ų | 114.6 | 62% | 0.622 | 57% | 0.57 | S | S | * | * | trans | -127.6 | 171.3 | -170.2 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1828 | N | 37.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 111.4 Ų | 111.4 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | trans | 73.5 | 142.5 | 173.7 | -64.6 | 27.9 | 0 | 0 | 0 | 114.8 | ||||
| 1829 | E | 32.9 | Very low | 30.3 | Very low | 145 Ų | 145 | 104.3 Ų | 104.3 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | cis | -155 | 170 | 8.8 | -135.3 | 174.3 | -121.3 | 0 | 0 | 115 | ||||
| 1830 | H | 30.9 | Very low | 30.4 | Very low | 148 Ų | 148 | 101 Ų | 101 | 69% | 0.685 | 51% | 0.509 | S | S | * | . | trans | 55.6 | 114.2 | 156.6 | -83.8 | 103.7 | 0 | 0 | 0 | 123.3 | ||||
| 1831 | R | 23.7 | Very low | 31.5 | Very low | 124 Ų | 124 | 97 Ų | 97 | 47% | 0.468 | 49% | 0.49 | S | S | . | . | trans | 60.4 | 143.8 | 164.4 | -63.7 | -172.1 | 167.2 | -177.4 | -5.7 | 114.9 | Y1700 | Y1700-R1831 PolarHBondContact OH-NH2 3.12Š| ||
| 1832 | R | 27.8 | Very low | 31.7 | Very low | 25 Ų | 25 | 92 Ų | 92 | 9% | 0.094 | 47% | 0.469 | C | S | . | . | cis | -166.2 | -174.9 | -10.2 | -103.5 | -177.1 | 166.2 | 168.2 | -11.1 | 103.4 | E1698 D1699 P1838 | E1698-R1832 WeakPolarHBondContact OE1-CD 3.32Å; E1698-R1832 IonicContact OE1-CZ 2.75Å; E1698-R1832 IonicContact OE1-NE 3.49Å; E1698-R1832 IonicContact OE1-NH1 3.09Å; E1698-R1832 PolarHBondContact OE1-NH1 3.12Å; E1698-R1832 IonicContact OE2-CZ 2.71Å; E1698-R1832 IonicContact OE2-NH1 3.45Å; E1698-R1832 PolarHBondContact OE2-NH1 2.96Å; D1699-R1832 IonicContact OD1-CZ 3.19Å; D1699-R1832 IonicContact OD1-NH1 3.22Å; D1699-R1832 IonicContact OD1-NH2 2.68Å; D1699-R1832 PolarHBondContact OD1-NH2 3.32Å; R1832-P1838 CarbonylContact C-O 3.5Å; R1832-P1838 WeakPolarHBondContact CB-O 3.26Å; R1832-P1838 CarbonylContact O-C 3.59Å; R1832-P1838 WeakPolarHBondContact O-CA 3.46Å; R1832-P1838 WeakPolarHBondContact O-CB 3.43Å; R1832-P1838 VanDerWaalsContact O-O 3.13Å | ||
| 1833 | I | 31.7 | Very low | 32.3 | Very low | 50 Ų | 50 | 90.8 Ų | 90.8 | 26% | 0.256 | 46% | 0.463 | S | S | . | . | cis | -144.2 | -47.1 | -28 | -121.5 | 170.9 | 0 | 0 | 0 | 110.2 | R1701 P1838 | R1701-I1833 HydrophobicContact CG-CG1 4.47Å; I1833-P1838 PolarHBondContact N-O 2.79Å | ||
| 1834 | R | 43.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 87.1 Ų | 87.1 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -153.6 | -15.4 | 178.2 | 98.5 | -73.9 | -65.8 | -140.8 | 4.5 | 121.8 | R1693 E1698 Q1836 P1837 | R1693-R1834 PolarHBondContact NH2-O 3.08Å; E1698-R1834 PolarHBondContact O-NH2 3.33Å; R1834-Q1836 WeakPolarHBondContact CD-O 3.46Å; R1834-Q1836 PolarHBondContact NH1-O 2.93Å; R1834-P1837 PolarHBondContact N-O 2.87Å |
| 1835 | H | 32.7 | Very low | 33.4 | Very low | 129 Ų | 129 | 85.7 Ų | 85.7 | 60% | 0.597 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 107.8 | 19.3 | -168 | 59.4 | 176.7 | 0 | 0 | 0 | 114.5 | E1670 P1837 P1838 | E1670-H1835 CarbonylContact C-O 2.8Å; E1670-H1835 VanDerWaalsContact C-O 3.22Å; E1670-H1835 WeakPolarHBondContact CB-O 3.49Å; E1670-H1835 VanDerWaalsContact CD-O 3.25Å; E1670-H1835 WeakPolarHBondContact CG-O 3.42Å; H1835-P1837 PolarHBondContact N-O 3.27Å; H1835-P1838 HydrophobicContact CB-CB 4.4Å; H1835-P1838 HydrophobicContact CB-CG 3.75Å |
| 1836 | Q | 32.3 | Very low | 33.4 | Very low | 7 Ų | 7 | 84.7 Ų | 84.7 | 3% | 0.033 | 44% | 0.443 | C | S | . | . | S | Bend | trans | 164.1 | 34.5 | -159.8 | -81.2 | -76.1 | 53.2 | 0 | 0 | 110.6 | E1670 G1672 Q1695 Q1696 R1834 | E1670-Q1836 VanDerWaalsContact CD-CA 3.43Å; E1670-Q1836 HydrophobicContact CG-CB 3.7Å; G1672-Q1836 VanDerWaalsContact N-CG 3.33Å; Q1695-Q1836 WeakPolarHBondContact CA-O 3.34Å; Q1695-Q1836 HydrophobicContact CB-CB 4.48Å; Q1695-Q1836 HydrophobicContact CG-CB 4.28Å; Q1696-Q1836 PolarHBondContact N-O 2.95Å; Q1696-Q1836 VanDerWaalsContact N-O 3.1Å; R1834-Q1836 WeakPolarHBondContact CD-O 3.46Å; R1834-Q1836 PolarHBondContact NH1-O 2.93Å |
| 1837 | P | 28 | Very low | 33.2 | Very low | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 44% | 0.437 | C | S | . | . | cis | -112.5 | 169.1 | 19.9 | 30.1 | -15.8 | 0 | 0 | 0 | 112.9 | E1673 Q1696 R1834 H1835 | E1673-P1837 HydrophobicContact CG-CB 4.22Å; E1673-P1837 WeakPolarHBondContact OE1-CB 3.49Å; Q1696-P1837 HydrophobicContact CB-CG 4.48Å; Q1696-P1837 HydrophobicContact CG-CG 3.92Å; Q1696-P1837 VanDerWaalsContact NE2-CG 3.33Å; R1834-P1837 PolarHBondContact N-O 2.87Å; H1835-P1837 PolarHBondContact N-O 3.27Å | ||
| 1838 | P | 23.9 | Very low | 32.7 | Very low | 26 Ų | 26 | 84.9 Ų | 84.9 | 17% | 0.169 | 45% | 0.445 | C | S | . | . | trans | -68.2 | -89.5 | 147.1 | 17.3 | 2.7 | 0 | 0 | 0 | 108.9 | E1673 R1832 I1833 H1835 | E1673-P1838 WeakPolarHBondContact OE1-CD 3.07Å; E1673-P1838 WeakPolarHBondContact OE2-CD 3.47Å; R1832-P1838 CarbonylContact C-O 3.5Å; R1832-P1838 WeakPolarHBondContact CB-O 3.26Å; R1832-P1838 CarbonylContact O-C 3.59Å; R1832-P1838 WeakPolarHBondContact O-CA 3.46Å; R1832-P1838 WeakPolarHBondContact O-CB 3.43Å; R1832-P1838 VanDerWaalsContact O-O 3.13Å; I1833-P1838 PolarHBondContact N-O 2.79Å; H1835-P1838 HydrophobicContact CB-CB 4.4Å; H1835-P1838 HydrophobicContact CB-CG 3.75Å | ||
| 1839 | P | 27.9 | Very low | 32.3 | Very low | 37 Ų | 37 | 85.2 Ų | 85.2 | 24% | 0.24 | 45% | 0.447 | C | S | . | . | trans | -109.5 | -145 | -166.7 | 27.2 | 0.6 | 0 | 0 | 0 | 109.8 | ||||
| 1840 | P | 31.1 | Very low | 32.2 | Very low | 53 Ų | 53 | 86.3 Ų | 86.3 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | -126.3 | -142.3 | -81.1 | 45 | -30.8 | 0 | 0 | 0 | 109.6 | |||||
| 1841 | P | 47.9 | Very low | 32.2 | Very low | 49 Ų | 49 | 86 Ų | 86 | 32% | 0.318 | 46% | 0.455 | S | S | . | . | trans | -89.3 | -147 | 169.8 | 46.2 | -36.6 | 0 | 0 | 0 | 107.7 | ||||
| 1842 | P | 32.2 | Very low | 32.4 | Very low | 66 Ų | 66 | 84.2 Ų | 84.2 | 43% | 0.429 | 47% | 0.467 | S | S | . | . | cis | -126.1 | 148 | 28.7 | 35.8 | -16.4 | 0 | 0 | 0 | 117.1 | I1675 | I1675-P1842 VanDerWaalsContact CD1-CD 3.4Š| ||
| 1843 | Q | 37.5 | Very low | 32.5 | Very low | 145 Ų | 145 | 88.3 Ų | 88.3 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | trans | 70.5 | 115.5 | 134.5 | -67.9 | 161.4 | -11.2 | 0 | 0 | 120.1 | E1676 | E1676-Q1843 WeakPolarHBondContact OE1-CA 3.47Å; E1676-Q1843 PolarHBondContact OE1-N 2.75Å; E1676-Q1843 VanDerWaalsContact OE2-CA 3.23Å; E1676-Q1843 WeakPolarHBondContact OE2-CA 3.24Å; E1676-Q1843 PolarHBondContact OE2-N 3.26Å | ||
| 1844 | S | 33.5 | Very low | 32.6 | Very low | 50 Ų | 50 | 94.3 Ų | 94.3 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | -134.3 | 172.6 | 119.1 | 36.2 | 0 | 0 | 0 | 0 | 110.9 | E1676 Q1677 | E1676-S1844 PolarHBondContact OE2-N 3.32Å; Q1677-S1844 WeakPolarHBondContact CG-OG 3.46Å; Q1677-S1844 VanDerWaalsContact NE2-C 3.26Å; Q1677-S1844 PolarHBondContact NE2-O 2.98Å; Q1677-S1844 PolarHBondContact NE2-OG 3.29Å; Q1677-S1844 PolarHBondContact OE1-O 3.03Å; Q1677-S1844 PolarHBondContact OE1-OG 2.79Å | |||
| 1845 | N | 43.7 | Very low | 31.7 | Very low | 141 Ų | 141 | 94.3 Ų | 94.3 | 75% | 0.754 | 54% | 0.535 | S | S | * | . | trans | -140.5 | 145.5 | 166 | -86.5 | -87 | 0 | 0 | 0 | 105.5 | Q1677 | Q1677-N1845 VanDerWaalsContact OE1-CA 3.27Š| ||
| 1846 | P | 33.4 | Very low | 31.4 | Very low | 97 Ų | 97 | 94.3 Ų | 94.3 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | -157.1 | 171.6 | 90.1 | 40.4 | -21.7 | 0 | 0 | 0 | 117.2 | |||||
| 1847 | S | 27.2 | Very low | 31 | Very low | 107 Ų | 107 | 100.6 Ų | 100.6 | 75% | 0.748 | 57% | 0.572 | S | S | * | * | trans | 67 | 133 | 160.2 | 74.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1848 | L | 26.8 | Very low | 31 | Very low | 152 Ų | 152 | 107 Ų | 107 | 80% | 0.796 | 61% | 0.605 | S | S | * | * | S | Bend | cis | -138.5 | 168.4 | 2.1 | -107.9 | 134.5 | 0 | 0 | 0 | 109.7 | ||
| 1849 | N | 30.4 | Very low | 31.2 | Very low | 139 Ų | 139 | 113 Ų | 113 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | trans | 75.8 | 59.8 | 168.6 | -56.8 | -11.8 | 0 | 0 | 0 | 118.7 | ||||
| 1850 | H | 30.1 | Very low | 31.2 | Very low | 168 Ų | 168 | 116.6 Ų | 116.6 | 78% | 0.778 | 65% | 0.65 | S | S | * | * | 24.3 | 143.5 | 120.8 | -83.9 | -81.6 | 0 | 0 | 0 | 123 | |||||
| 1851 | N | 30.1 | Very low | 31.5 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | 73.4 | 125 | 156 | -54.6 | -13.5 | 0 | 0 | 0 | 116.2 | ||||
| 1852 | A | 29.9 | Very low | 30.7 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | cis | 103.7 | 134.1 | 18.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1853 | S | 28.4 | Very low | 30.5 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | 70.9 | 154.7 | 172 | 79.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1854 | K | 33.3 | Very low | 29.9 | Very low | 177 Ų | 177 | 130 Ų | 130 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | 75.3 | 137.4 | 140.7 | -98.2 | -173.7 | 173.8 | -173.5 | 0 | 121.3 | ||||
| 1855 | T | 25.9 | Very low | 29.4 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 61% | 0.607 | 74% | 0.741 | S | S | * | * | 23.4 | 146.6 | 127.4 | 64.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1856 | D | 24.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | trans | 76.6 | 114.8 | 135.9 | -67.5 | -10.6 | 0 | 0 | 0 | 121.9 | ||||
| 1857 | L | 25.5 | Very low | 28.2 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | 68.7 | 140.7 | 116.7 | -63.5 | 171.2 | 0 | 0 | 0 | 123.1 | |||||
| 1858 | I | 28.2 | Very low | 28.2 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | trans | 84.2 | 95.1 | 135.1 | -72.4 | 166.9 | 0 | 0 | 0 | 121.4 | ||||
| 1859 | M | 26.8 | Very low | 28.6 | Very low | 154 Ų | 154 | 136 Ų | 136 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | 71.5 | 145 | 115.1 | -58.2 | -120.9 | -84.1 | 0 | 0 | 126.6 | |||||
| 1860 | N | 29.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | trans | 102.5 | 107.5 | 137.9 | -79.3 | -44.7 | 0 | 0 | 0 | 124.2 | ||||
| 1861 | K | 36.4 | Very low | 28.1 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | 56.1 | 117.7 | 127.3 | -61.5 | 173.6 | -177.1 | 177.3 | 0 | 123.4 | |||||
| 1862 | K | 30.8 | Very low | 27.8 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | -175.3 | 162.7 | 112.9 | -111 | -171.8 | 176.7 | -171.7 | 0 | 114.3 | |||||
| 1863 | D | 27.7 | Very low | 27.5 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | 54.5 | 172 | 167 | -51.8 | -19.4 | 0 | 0 | 0 | 117.8 | ||||
| 1864 | G | 25.2 | Very low | 27.3 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 70% | 0.695 | S | S | * | * | trans | -156.6 | -178.3 | -155.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1865 | R | 23.4 | Very low | 26.9 | Very low | 230 Ų | 230 | 138.9 Ų | 138.9 | 87% | 0.868 | 69% | 0.693 | S | S | * | * | trans | 69.9 | 131.5 | -165.5 | -59.2 | -174.9 | 178.8 | -173.3 | 0.7 | 115.4 | ||||
| 1866 | N | 26.2 | Very low | 27.3 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 60% | 0.599 | 70% | 0.697 | S | S | * | * | cis | -166.1 | 148.6 | -14 | -96.7 | -11.2 | 0 | 0 | 0 | 107.5 | ||||
| 1867 | E | 26.4 | Very low | 27.2 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 37% | 0.369 | 71% | 0.705 | S | S | . | * | -146.9 | -177.4 | -59.1 | -127.6 | 169.9 | -134.1 | 0 | 0 | 111.9 | L169 | L169-E1867 CarbonylContact C-O 3.6Å; L169-E1867 PolarHBondContact N-O 2.8Å; L169-E1867 PolarHBondContact O-N 2.85Å; L169-E1867 VanDerWaalsContact O-O 3.12Å | |||
| 1868 | K | 26.1 | Very low | 27.3 | Very low | 152 Ų | 152 | 142 Ų | 142 | 66% | 0.661 | 70% | 0.701 | S | S | * | * | trans | -106.4 | 165.6 | -141.4 | -60.3 | 158.1 | -175 | 166.5 | 0 | 119.9 | N167 L168 | N167-K1868 PolarHBondContact O-N 3.46Å; L168-K1868 WeakPolarHBondContact CA-O 3.44Å; L168-K1868 VanDerWaalsContact CB-O 3.23Å; L168-K1868 WeakPolarHBondContact CB-O 3.47Å | ||
| 1869 | P | 35.7 | Very low | 27.1 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -121.2 | -167.9 | 164.7 | 24.3 | -1.4 | 0 | 0 | 0 | 113.2 | ||||
| 1870 | T | 27.1 | Very low | 26.9 | Very low | 106 Ų | 106 | 142 Ų | 142 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | 93 | 148.7 | 148.5 | 72.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1871 | W | 23.5 | Very low | 26.7 | Very low | 209 Ų | 209 | 143.3 Ų | 143.3 | 79% | 0.792 | 71% | 0.705 | S | S | * | * | trans | 82.7 | 125.7 | 145.9 | -62.8 | 126.8 | 0 | 0 | 0 | 125.5 | ||||
| 1872 | R | 23.6 | Very low | 26.2 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | trans | 61.6 | 142.6 | 144.1 | -66.7 | -150.8 | -168.7 | -98.2 | 10.3 | 120.2 | ||||
| 1873 | E | 22.5 | Very low | 25.8 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 64% | 0.64 | 70% | 0.698 | S | S | * | * | cis | 87.4 | 97.2 | 37.2 | -71.7 | -178.7 | 144 | 0 | 0 | 115.9 | ||||
| 1874 | T | 25.5 | Very low | 25.7 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | 57.8 | 154.7 | 129.7 | 67.2 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1875 | D | 25.2 | Very low | 25.7 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | trans | 74.7 | 155.2 | 155.6 | -53.2 | -39.4 | 0 | 0 | 0 | 119.4 | ||||
| 1876 | L | 32.8 | Very low | 25.7 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 71% | 0.707 | 68% | 0.677 | S | S | * | * | cis | -176.7 | 125.6 | -46.9 | -122.1 | 171.1 | 0 | 0 | 0 | 106.5 | ||||
| 1877 | D | 24.1 | Very low | 25.8 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 68% | 0.679 | S | S | * | * | trans | -177 | 136 | 154.3 | -94.4 | -26.4 | 0 | 0 | 0 | 108.2 | ||||
| 1878 | H | 26.4 | Very low | 25.6 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 65% | 0.648 | 69% | 0.693 | S | S | * | * | cis | 97.5 | 83 | 42 | -98 | -79.6 | 0 | 0 | 0 | 116 | ||||
| 1879 | F | 24.3 | Very low | 25.6 | Very low | 202 Ų | 202 | 143.2 Ų | 143.2 | 89% | 0.886 | 69% | 0.691 | S | S | * | * | trans | -143.2 | 126.4 | 146.1 | -95.2 | -90.9 | 0 | 0 | 0 | 105.4 | ||||
| 1880 | T | 23.2 | Very low | 25.1 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 53% | 0.528 | 70% | 0.697 | S | S | . | * | cis | 68.8 | 98.8 | 23 | 63 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1881 | I | 25 | Very low | 25 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | trans | 67.4 | 102.6 | 139.5 | -51.9 | 167.3 | 0 | 0 | 0 | 117.9 | ||||
| 1882 | R | 24.8 | Very low | 25.1 | Very low | 236 Ų | 236 | 143.8 Ų | 143.8 | 89% | 0.891 | 70% | 0.695 | S | S | * | * | -139.5 | 143.4 | 121.8 | -71.2 | -164.3 | 175.4 | 160.6 | -0.1 | 107.2 | |||||
| 1883 | N | 23.4 | Very low | 25.1 | Very low | 110 Ų | 110 | 140 Ų | 140 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | cis | 68.9 | 133.3 | 43.4 | -63.6 | 11.2 | 0 | 0 | 0 | 112.2 | ||||
| 1884 | H | 25.3 | Very low | 25.3 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | cis | -170.3 | 157.3 | -6 | -116.7 | -5.1 | 0 | 0 | 0 | 110.7 | ||||
| 1885 | Q | 24.2 | Very low | 25.3 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | trans | 66.1 | 165.6 | 142 | -65.5 | 164.7 | -58 | 0 | 0 | 121.5 | ||||
| 1886 | H | 25.2 | Very low | 25.4 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | trans | 70.9 | 138.2 | 170.5 | -52.5 | -74.7 | 0 | 0 | 0 | 117.3 | ||||
| 1887 | H | 27.8 | Very low | 25.1 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | cis | -147.9 | 132.7 | -19 | -102 | -57.4 | 0 | 0 | 0 | 105.7 | ||||
| 1888 | Q | 22.5 | Very low | 25.1 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | 64.8 | 125 | 89 | -93.9 | -175.5 | -81.5 | 0 | 0 | 117.2 | |||||
| 1889 | D | 24.3 | Very low | 25.2 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | trans | 66.2 | 115.9 | 142.2 | -47.4 | -22.1 | 0 | 0 | 0 | 120.5 | ||||
| 1890 | N | 25.2 | Very low | 25.1 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | -172.5 | 145 | 104.4 | -97.6 | -68.2 | 0 | 0 | 0 | 113.9 | |||||
| 1891 | N | 26.2 | Very low | 25.3 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 66% | 0.658 | 70% | 0.697 | S | S | * | * | trans | 64.3 | 126.8 | 152.4 | -61.1 | -15.3 | 0 | 0 | 0 | 122.7 | ||||
| 1892 | H | 25.7 | Very low | 25.5 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | 51.9 | 144.1 | 127.1 | -60.4 | -43 | 0 | 0 | 0 | 121 | |||||
| 1893 | N | 23.5 | Very low | 25.5 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | cis | -171.6 | 161.6 | -3.1 | -122.4 | 34.6 | 0 | 0 | 0 | 109.2 | ||||
| 1894 | D | 27.5 | Very low | 25.7 | Very low | 132 Ų | 132 | 147 Ų | 147 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | 59.8 | 157.7 | 153.5 | -46.3 | -30.2 | 0 | 0 | 0 | 117.8 | ||||
| 1895 | E | 25.6 | Very low | 25.9 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | cis | -155.9 | 148.8 | -8.5 | -132.5 | 177.8 | -172.5 | 0 | 0 | 111.8 | ||||
| 1896 | D | 26.5 | Very low | 25.9 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 57% | 0.572 | 66% | 0.659 | S | S | * | * | trans | 43.1 | 124 | 145.1 | -87.6 | 20.4 | 0 | 0 | 0 | 128.2 | ||||
| 1897 | K | 26.3 | Very low | 26 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 66% | 0.661 | 65% | 0.649 | S | S | * | * | 41.8 | 123 | 120.3 | -51.1 | -179.3 | -171.1 | 79.7 | 0 | 118.9 | |||||
| 1898 | N | 25.1 | Very low | 26 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 86% | 0.861 | 63% | 0.633 | S | S | * | * | -179.2 | 166.8 | 76.3 | -106.7 | -36.4 | 0 | 0 | 0 | 114.1 | |||||
| 1899 | E | 27.7 | Very low | 26.2 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 77% | 0.766 | 63% | 0.626 | S | S | * | * | trans | -125.3 | 138.3 | 172.6 | 178.3 | -167.9 | -121.4 | 0 | 0 | 109.3 | ||||
| 1900 | W | 23 | Very low | 26.6 | Very low | 222 Ų | 222 | 133.1 Ų | 133.1 | 84% | 0.841 | 63% | 0.63 | S | S | * | * | trans | 170.4 | 132.3 | 147.7 | -99.9 | 31.4 | 0 | 0 | 0 | 117.7 | ||||
| 1901 | N | 27.2 | Very low | 26.8 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | trans | 54.3 | 112.9 | 131.6 | -76.4 | -54 | 0 | 0 | 0 | 126.2 | ||||
| 1902 | R | 27.8 | Very low | 26.8 | Very low | 199 Ų | 199 | 125.6 Ų | 125.6 | 75% | 0.751 | 59% | 0.591 | S | S | * | * | 85.8 | 153.1 | 110.4 | -140.7 | 178.6 | -168.7 | -157.4 | 5.6 | 122.1 | |||||
| 1903 | Y | 24.8 | Very low | 27 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 69% | 0.686 | 58% | 0.583 | S | S | * | * | trans | 75 | -178.2 | 170.1 | -74.9 | -73 | 0 | 0 | 0 | 119.7 | ||||
| 1904 | K | 28.3 | Very low | 27.2 | Very low | 137 Ų | 137 | 121.3 Ų | 121.3 | 60% | 0.596 | 58% | 0.579 | S | S | * | * | trans | -131.9 | -152.3 | -141 | -161.2 | 170.9 | 133.9 | -65.8 | 0 | 112.9 | D1756 G1757 | D1756-K1904 WeakPolarHBondContact OD1-CG 3.44Å; D1756-K1904 IonicContact OD1-NZ 3.63Å; D1756-K1904 PolarHBondContact OD1-NZ 2.95Å; D1756-K1904 WeakPolarHBondContact OD2-CB 3.2Å; D1756-K1904 IonicContact OD2-NZ 2.92Å; D1756-K1904 PolarHBondContact OD2-NZ 3.07Å; G1757-K1904 WeakPolarHBondContact CA-O 3.37Å | ||
| 1905 | S | 28.5 | Very low | 27 | Very low | 59 Ų | 59 | 120.2 Ų | 120.2 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | trans | -130.5 | 97.7 | -150.1 | 58.7 | 0 | 0 | 0 | 0 | 121.5 | D1756 K1758 | D1756-S1905 WeakPolarHBondContact OD1-CA 3.22Å; D1756-S1905 PolarHBondContact OD1-N 2.9Å; D1756-S1905 PolarHBondContact OD1-OG 2.7Å; D1756-S1905 VanDerWaalsContact OD1-OG 3.14Å; K1758-S1905 WeakPolarHBondContact CE-O 3.22Å | ||
| 1906 | N | 26.1 | Very low | 26.9 | Very low | 46 Ų | 46 | 116.3 Ų | 116.3 | 25% | 0.246 | 56% | 0.564 | C | S | . | * | trans | -163.1 | 141.2 | 165.5 | -149.4 | 31.8 | 0 | 0 | 0 | 116.3 | V1755 D1756 G1757 K1758 | V1755-N1906 HydrophobicContact CG1-CB 4.47Å; D1756-N1906 CarbonylContact C-O 3.6Å; D1756-N1906 HydrophobicContact CB-CB 3.81Å; D1756-N1906 WeakPolarHBondContact O-CB 3.1Å; D1756-N1906 VanDerWaalsContact O-O 3.11Å; G1757-N1906 CarbonylContact C-O 2.99Å; G1757-N1906 WeakPolarHBondContact CA-O 3.37Å; G1757-N1906 PolarHBondContact N-O 2.83Å; K1758-N1906 PolarHBondContact NZ-OD1 2.95Å | ||
| 1907 | E | 26 | Very low | 26.7 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | trans | 51.9 | 122.7 | 161 | -69 | -178.4 | -121 | 0 | 0 | 121.3 | R668 | R668-E1907 PolarHBondContact NH1-O 2.88Å; R668-E1907 PolarHBondContact NH2-O 3.38Å | ||
| 1908 | N | 28.1 | Very low | 26.5 | Very low | 56 Ų | 56 | 115.1 Ų | 115.1 | 30% | 0.299 | 56% | 0.564 | S | S | . | * | cis | -155.1 | 142.6 | 10.5 | -100.4 | -43.6 | 0 | 0 | 0 | 110.6 | R668 | R668-N1908 PolarHBondContact NH2-O 3.04Å; R668-N1908 VanDerWaalsContact NH2-O 3.16Å | ||
| 1909 | R | 27.5 | Very low | 26.4 | Very low | 134 Ų | 134 | 111.6 Ų | 111.6 | 51% | 0.506 | 55% | 0.552 | S | S | . | * | 21.5 | 121.9 | 114.1 | -48.8 | 176.7 | 177.6 | 121 | -19 | 113.8 | |||||
| 1910 | N | 31.4 | Very low | 26.1 | Very low | 134 Ų | 134 | 110.4 Ų | 110.4 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | -147.7 | 160.4 | 65.8 | -74.3 | -20.7 | 0 | 0 | 0 | 111.4 | |||||
| 1911 | N | 29.7 | Very low | 26 | Very low | 92 Ų | 92 | 104.4 Ų | 104.4 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | cis | -143.4 | 147.1 | -24.2 | -115.3 | -8.7 | 0 | 0 | 0 | 107.3 | P1761 | P1761-N1911 WeakPolarHBondContact CG-O 3.38Š| ||
| 1912 | S | 26.8 | Very low | 25.9 | Very low | 17 Ų | 17 | 104.2 Ų | 104.2 | 12% | 0.119 | 53% | 0.53 | C | S | . | . | cis | 48 | 74.2 | 44.8 | 29.4 | 0 | 0 | 0 | 0 | 113.4 | I1914 | S1912-I1914 VanDerWaalsContact C-N 3.28Å; S1912-I1914 VanDerWaalsContact O-CD1 3.28Å; S1912-I1914 WeakPolarHBondContact O-CD1 3.4Å; S1912-I1914 VanDerWaalsContact O-CG1 3.28Å; S1912-I1914 WeakPolarHBondContact O-CG1 3.44Å | ||
| 1913 | S | 29.8 | Very low | 25.6 | Very low | 81 Ų | 81 | 98.5 Ų | 98.5 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | -84.3 | 88.1 | 120 | -159 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 1914 | I | 28.2 | Very low | 25.5 | Very low | 98 Ų | 98 | 96 Ų | 96 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | 71.9 | 95.9 | 81.6 | -68.1 | 159.2 | 0 | 0 | 0 | 107.3 | S1912 C1916 | S1912-I1914 VanDerWaalsContact C-N 3.28Å; S1912-I1914 VanDerWaalsContact O-CD1 3.28Å; S1912-I1914 WeakPolarHBondContact O-CD1 3.4Å; S1912-I1914 VanDerWaalsContact O-CG1 3.28Å; S1912-I1914 WeakPolarHBondContact O-CG1 3.44Å; I1914-C1916 HydrophobicContact CG2-CB 4.02Å | |||
| 1915 | N | 22.4 | Very low | 25.3 | Very low | 109 Ų | 109 | 95.5 Ų | 95.5 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | 59.6 | 177.1 | 65.1 | -47.5 | -34.1 | 0 | 0 | 0 | 111 | |||||
| 1916 | C | 22.6 | Very low | 25 | Very low | 88 Ų | 88 | 97.7 Ų | 97.7 | 60% | 0.595 | 54% | 0.537 | S | S | * | . | trans | 61.1 | 121.1 | 149.4 | -62.7 | 0 | 0 | 0 | 0 | 117.3 | I1914 | I1914-C1916 HydrophobicContact CG2-CB 4.02Š| ||
| 1917 | D | 22.6 | Very low | 24.7 | Very low | 131 Ų | 131 | 100.5 Ų | 100.5 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | cis | -165 | -160.7 | 5.5 | -112.4 | -33.3 | 0 | 0 | 0 | 108.6 | ||||
| 1918 | N | 22.5 | Very low | 25 | Very low | 102 Ų | 102 | 107 Ų | 107 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | trans | 71.5 | 93 | 153.1 | -64.8 | -26.6 | 0 | 0 | 0 | 116.4 | N656 | N656-N1918 PolarHBondContact OD1-ND2 2.95Å; N656-N1918 VanDerWaalsContact OD1-ND2 3.08Å | ||
| 1919 | S | 22.7 | Very low | 25.1 | Very low | 87 Ų | 87 | 109.4 Ų | 109.4 | 61% | 0.608 | 60% | 0.595 | S | S | * | * | 94.6 | 134.9 | 104.8 | 77.9 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1920 | N | 22.1 | Very low | 24.9 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | trans | 61.9 | 150.1 | 134.9 | -63.2 | -14.1 | 0 | 0 | 0 | 120.3 | ||||
| 1921 | E | 21.9 | Very low | 24.5 | Very low | 96 Ų | 96 | 115.2 Ų | 115.2 | 45% | 0.449 | 62% | 0.616 | S | S | . | * | trans | 66.8 | 150.6 | 161.6 | -69.4 | 169.5 | -176.1 | 0 | 0 | 114.6 | G415 K416 | G415-E1921 VanDerWaalsContact CA-OE2 3.25Å; G415-E1921 WeakPolarHBondContact CA-OE2 3.3Å; G415-E1921 PolarHBondContact N-OE2 2.74Å; K416-E1921 WeakPolarHBondContact CA-OE1 3.5Å; K416-E1921 PolarHBondContact N-OE1 2.89Å; K416-E1921 PolarHBondContact N-OE2 2.91Å; K416-E1921 VanDerWaalsContact N-OE2 3.11Å | ||
| 1922 | I | 24.1 | Very low | 24.3 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 56% | 0.559 | 61% | 0.612 | S | S | * | * | cis | -136.1 | 168.7 | 1.6 | -134 | 155.2 | 0 | 0 | 0 | 111.3 | ||||
| 1923 | S | 21.6 | Very low | 24.3 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 56% | 0.559 | 64% | 0.642 | S | S | * | * | trans | -68.4 | -148.5 | 169.8 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1924 | N | 22.6 | Very low | 24.2 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 65% | 0.647 | 64% | 0.641 | S | S | * | * | trans | 72 | 158.7 | 164.9 | -51.8 | -6.4 | 0 | 0 | 0 | 113.5 | ||||
| 1925 | I | 23.2 | Very low | 24 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 66% | 0.656 | 64% | 0.643 | S | S | * | * | cis | -143.8 | 140.3 | -18.5 | -119.2 | 164.5 | 0 | 0 | 0 | 104.5 | T1927 | I1925-T1927 WeakPolarHBondContact CG2-O 3.47Š| ||
| 1926 | S | 22.4 | Very low | 24.5 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | 48 | 176.7 | 88.1 | -151.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1927 | T | 21.2 | Very low | 25.1 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -25.4 | 143.6 | 164 | 53 | 0 | 0 | 0 | 0 | 117.5 | I1925 | I1925-T1927 WeakPolarHBondContact CG2-O 3.47Š|
| 1928 | R | 32.7 | Very low | 25.5 | Very low | 236 Ų | 236 | 122.3 Ų | 122.3 | 89% | 0.891 | 64% | 0.641 | S | S | * | * | trans | -30.9 | 149.5 | 141.9 | -64.4 | 173.7 | 173.1 | 177.5 | -4.2 | 110.9 | ||||
| 1929 | P | 28.6 | Very low | 25.6 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | -160.9 | -147.8 | 54.5 | 46.9 | -23.8 | 0 | 0 | 0 | 116.2 | |||||
| 1930 | Y | 23.7 | Very low | 25.7 | Very low | 215 Ų | 215 | 124.4 Ų | 124.4 | 84% | 0.843 | 64% | 0.638 | S | S | * | * | trans | -27.2 | 159.6 | 167.6 | -39.6 | -71.6 | 0 | 0 | 0 | 117.9 | ||||
| 1931 | Q | 24.4 | Very low | 26 | Very low | 175 Ų | 175 | 124.7 Ų | 124.7 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | cis | -140.8 | 173 | 17.5 | -71.4 | 175.7 | -121.9 | 0 | 0 | 112.9 | ||||
| 1932 | S | 23.8 | Very low | 26.1 | Very low | 59 Ų | 59 | 126.9 Ų | 126.9 | 41% | 0.413 | 65% | 0.649 | S | S | . | * | trans | -157.2 | -154.8 | 150 | 13.5 | 0 | 0 | 0 | 0 | 109.5 | S406 S407 | S406-S1932 CarbonylContact C-O 3.5Å; S406-S1932 CarbonylContact O-C 3.52Å; S406-S1932 VanDerWaalsContact O-C 3.26Å; S406-S1932 PolarHBondContact O-N 3.08Å; S406-S1932 VanDerWaalsContact O-N 3.08Å; S406-S1932 VanDerWaalsContact O-O 3.08Å; S407-S1932 WeakPolarHBondContact CA-OG 3.41Å; S407-S1932 CarbonylContact O-C 3.56Å; S407-S1932 WeakPolarHBondContact O-CB 3.45Å | ||
| 1933 | N | 27 | Very low | 26.1 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | trans | -143.3 | 18.7 | -163.6 | -131.8 | 1.5 | 0 | 0 | 0 | 124.2 | S407 | S407-N1933 CarbonylContact O-C 3.4Å; S407-N1933 VanDerWaalsContact O-C 3.31Å; S407-N1933 WeakPolarHBondContact O-CA 3.45Å; S407-N1933 PolarHBondContact O-N 3.16Å | ||
| 1934 | E | 28.7 | Very low | 26.4 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 56% | 0.556 | 67% | 0.667 | S | S | * | * | B | Isolated β-bridge | trans | -104.4 | 121.2 | 160.8 | -75.5 | -164.8 | 80.5 | 0 | 0 | 110.2 | S406 S407 S408 | S406-E1934 VanDerWaalsContact CB-C 3.45Å; S406-E1934 WeakPolarHBondContact CB-O 3.34Å; S407-E1934 PolarHBondContact N-O 3.06Å; S407-E1934 PolarHBondContact O-N 2.84Å; S407-E1934 PolarHBondContact OG-O 2.71Å; S408-E1934 WeakPolarHBondContact CB-OE2 3.5Å; S408-E1934 PolarHBondContact OG-OE2 3.47Å |
| 1935 | T | 23.1 | Very low | 26.6 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 54% | 0.54 | 66% | 0.662 | S | S | . | * | trans | 147.1 | 165.8 | 163.3 | 50 | 0 | 0 | 0 | 0 | 107.9 | S406 | S406-T1935 VanDerWaalsContact CA-OG1 3.31Å; S406-T1935 WeakPolarHBondContact CA-OG1 3.38Å; S406-T1935 WeakPolarHBondContact CB-OG1 3.11Å; S406-T1935 VanDerWaalsContact OG-C 3.24Å; S406-T1935 PolarHBondContact OG-N 2.77Å; S406-T1935 PolarHBondContact OG-O 2.84Å; S406-T1935 PolarHBondContact OG-OG1 3.47Å | ||
| 1936 | N | 32.3 | Very low | 26.8 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 66% | 0.663 | 65% | 0.653 | S | S | * | * | trans | -146 | 156 | 157.3 | -86.7 | -71.7 | 0 | 0 | 0 | 105 | ||||
| 1937 | Q | 35.9 | Very low | 27 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | cis | -157.2 | 160.6 | 5.7 | -119.6 | 149.5 | 37.7 | 0 | 0 | 109.6 | ||||
| 1938 | L | 31.3 | Very low | 28 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 53% | 0.529 | 65% | 0.648 | S | S | . | * | trans | 42 | 125.3 | 148 | -57.3 | 164.6 | 0 | 0 | 0 | 120.4 | ||||
| 1939 | K | 24.9 | Very low | 28.2 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 44% | 0.439 | 64% | 0.639 | S | S | . | * | 83.3 | 127.4 | 50.2 | -84.4 | -168.1 | 143.3 | -170.4 | 0 | 115.6 | S403 | S403-K1939 WeakPolarHBondContact O-CE 3.48Å; S403-K1939 PolarHBondContact O-NZ 3.42Å | |||
| 1940 | M | 25.5 | Very low | 28.3 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | trans | 67.8 | 157.5 | 158.4 | -71.9 | 131.3 | 165.1 | 0 | 0 | 116 | ||||
| 1941 | E | 26.4 | Very low | 28.8 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 67% | 0.673 | 65% | 0.646 | S | S | * | * | cis | -145.7 | -161.9 | 13.3 | -147.7 | 142.4 | -121.5 | 0 | 0 | 113.4 | ||||
| 1942 | N | 25.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | trans | -101.8 | 173.6 | -172 | -69.2 | -51.5 | 0 | 0 | 0 | 115 | ||||
| 1943 | N | 23.9 | Very low | 29.5 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 82% | 0.824 | 66% | 0.662 | S | S | * | * | trans | 94.5 | 171.2 | 160.2 | -55.6 | -26 | 0 | 0 | 0 | 119.8 | ||||
| 1944 | N | 26.4 | Very low | 29.6 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 68% | 0.679 | 66% | 0.659 | S | S | * | * | trans | -119.7 | 167.4 | -151.7 | -80.1 | -36.7 | 0 | 0 | 0 | 116.7 | S1995 | N1944-S1995 WeakPolarHBondContact O-CA 3.4Å; N1944-S1995 PolarHBondContact O-N 3.35Å | ||
| 1945 | N | 27.2 | Very low | 29.8 | Very low | 98 Ų | 98 | 127 Ų | 127 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | trans | 67.4 | 96.7 | 150 | -70.9 | 9.4 | 0 | 0 | 0 | 126 | S1995 I1996 | N1945-S1995 VanDerWaalsContact N-N 3.14Å; N1945-S1995 CarbonylContact O-C 3.15Å; N1945-I1996 CarbonylContact O-C 3.51Å; N1945-I1996 WeakPolarHBondContact O-CA 3.26Å; N1945-I1996 PolarHBondContact O-N 3.25Å | ||
| 1946 | T | 29 | Very low | 30.3 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | trans | 83 | 147 | 132.7 | 18.9 | 0 | 0 | 0 | 0 | 127.7 | S1994 S1995 I1996 | T1946-S1994 PolarHBondContact N-O 2.98Å; T1946-S1995 CarbonylContact C-O 3.48Å; T1946-S1995 VanDerWaalsContact N-N 3.2Å; T1946-S1995 PolarHBondContact N-O 3.07Å; T1946-S1995 CarbonylContact O-C 3.15Å; T1946-I1996 PolarHBondContact O-N 3.14Å | ||
| 1947 | M | 26 | Very low | 30.3 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | trans | 88.9 | 161.7 | 153.1 | -73.2 | -77.1 | 95.3 | 0 | 0 | 117.8 | ||||
| 1948 | P | 41.4 | Very low | 29.9 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 60% | 0.597 | 68% | 0.68 | S | S | * | * | cis | -103.3 | -149.9 | 13.5 | 42.4 | -30.1 | 0 | 0 | 0 | 112.8 | ||||
| 1949 | P | 38.1 | Very low | 29.9 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | cis | -135.7 | -124.7 | -0.3 | 42.4 | -19.3 | 0 | 0 | 0 | 117 | ||||
| 1950 | Y | 28.8 | Very low | 29.7 | Very low | 214 Ų | 214 | 135 Ų | 135 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | trans | -144.2 | 169.9 | -157.9 | -85.2 | -93.6 | 0 | 0 | 0 | 111.4 | ||||
| 1951 | K | 36.2 | Very low | 29.6 | Very low | 195 Ų | 195 | 135.1 Ų | 135.1 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | cis | -152.2 | 162.3 | 25.9 | -151.5 | 168.6 | -171.9 | 175.2 | 0 | 112.8 | ||||
| 1952 | S | 26.2 | Very low | 29.5 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | trans | -101 | 161.5 | -177.7 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1953 | I | 36.6 | Very low | 29.7 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | trans | -161.2 | 146.8 | 135.4 | -100.1 | 152.4 | 0 | 0 | 0 | 107.6 | ||||
| 1954 | G | 29.2 | Very low | 30.7 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | trans | -135.6 | 150.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1955 | H | 33 | Very low | 30.5 | Very low | 166 Ų | 166 | 127 Ų | 127 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | trans | -158.1 | 153.2 | 177.1 | -118.5 | -84.5 | 0 | 0 | 0 | 110.5 | ||||
| 1956 | D | 32.1 | Very low | 30.5 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 56% | 0.561 | 67% | 0.667 | S | S | * | * | trans | 61.8 | 159.5 | 157.5 | -77.2 | 33.1 | 0 | 0 | 0 | 117.8 | ||||
| 1957 | R | 33.1 | Very low | 31 | Very low | 201 Ų | 201 | 135.2 Ų | 135.2 | 76% | 0.758 | 68% | 0.683 | S | S | * | * | cis | -169 | 165.4 | -37.3 | -115.8 | -177 | -173.7 | 139.6 | -14.7 | 106.1 | ||||
| 1958 | I | 26.9 | Very low | 31.4 | Very low | 145 Ų | 145 | 135 Ų | 135 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | trans | -71.3 | 121.2 | 154.4 | -67.8 | 167.8 | 0 | 0 | 0 | 106.3 | Q1960 | I1958-Q1960 HydrophobicContact CG2-CB 4.24Å; I1958-Q1960 HydrophobicContact CG2-CG 3.82Å | ||
| 1959 | P | 30.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 75% | 0.747 | 68% | 0.684 | S | S | * | * | -101.5 | 144.2 | 90.2 | -16.9 | 33.4 | 0 | 0 | 0 | 112.1 | |||||
| 1960 | Q | 22.5 | Very low | 30 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | cis | 61.6 | 117 | 49 | -79.7 | -156.7 | -11 | 0 | 0 | 115.2 | I1958 | I1958-Q1960 HydrophobicContact CG2-CB 4.24Å; I1958-Q1960 HydrophobicContact CG2-CG 3.82Å | ||
| 1961 | Y | 22.6 | Very low | 30.1 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 53% | 0.529 | 69% | 0.685 | S | S | . | * | trans | 68.5 | 123.2 | 142.9 | -81.4 | -105.7 | 0 | 0 | 0 | 120.6 | Y1965 | Y1961-Y1965 AromaticContact CD1-CE1 3.83Å; Y1961-Y1965 HydrophobicContact CD1-CE1 3.83Å; Y1961-Y1965 AromaticContact CD1-CZ 3.73Å; Y1961-Y1965 WeakPolarHBondContact CD1-OH 3.36Å; Y1961-Y1965 WeakPolarHBondContact CD2-OH 3.25Å; Y1961-Y1965 AromaticContact CE1-CE1 3.81Å; Y1961-Y1965 HydrophobicContact CE1-CE1 3.81Å; Y1961-Y1965 AromaticContact CE1-CZ 3.89Å; Y1961-Y1965 WeakPolarHBondContact CE1-OH 3.3Å; Y1961-Y1965 WeakPolarHBondContact CE2-OH 3.12Å; Y1961-Y1965 AromaticContact CG-CZ 3.96Å; Y1961-Y1965 VanDerWaalsContact CZ-OH 3.28Å | ||
| 1962 | T | 23.7 | Very low | 29.8 | Very low | 67 Ų | 67 | 130 Ų | 130 | 41% | 0.411 | 68% | 0.675 | S | S | . | * | trans | 58.7 | 127.6 | 145.7 | 53 | 0 | 0 | 0 | 0 | 118.5 | Y1965 | T1962-Y1965 HydrophobicContact CG2-CD1 3.49Å; T1962-Y1965 VanDerWaalsContact CG2-CD1 3.49Å; T1962-Y1965 HydrophobicContact CG2-CD2 4.07Å; T1962-Y1965 HydrophobicContact CG2-CE1 3.88Å; T1962-Y1965 HydrophobicContact CG2-CE2 4.41Å; T1962-Y1965 HydrophobicContact CG2-CG 3.61Å; T1962-Y1965 VanDerWaalsContact N-CD2 3.33Å | ||
| 1963 | S | 30.1 | Very low | 30.1 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | S | Bend | cis | -150.9 | 147.7 | 27.9 | 29 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1964 | D | 44.9 | Very low | 29.8 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | S | Bend | cis | -122 | 131.6 | -6 | -77.8 | -44.1 | 0 | 0 | 0 | 108.9 | ||
| 1965 | Y | 23.4 | Very low | 29.9 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 34% | 0.337 | 68% | 0.679 | S | S | . | * | cis | 76.5 | 131 | 15.2 | -120.7 | -95.2 | 0 | 0 | 0 | 115.9 | Y1961 T1962 | Y1961-Y1965 AromaticContact CD1-CE1 3.83Å; Y1961-Y1965 HydrophobicContact CD1-CE1 3.83Å; Y1961-Y1965 AromaticContact CD1-CZ 3.73Å; Y1961-Y1965 WeakPolarHBondContact CD1-OH 3.36Å; Y1961-Y1965 WeakPolarHBondContact CD2-OH 3.25Å; Y1961-Y1965 AromaticContact CE1-CE1 3.81Å; Y1961-Y1965 HydrophobicContact CE1-CE1 3.81Å; Y1961-Y1965 AromaticContact CE1-CZ 3.89Å; Y1961-Y1965 WeakPolarHBondContact CE1-OH 3.3Å; Y1961-Y1965 WeakPolarHBondContact CE2-OH 3.12Å; Y1961-Y1965 AromaticContact CG-CZ 3.96Å; Y1961-Y1965 VanDerWaalsContact CZ-OH 3.28Å; T1962-Y1965 HydrophobicContact CG2-CD1 3.49Å; T1962-Y1965 VanDerWaalsContact CG2-CD1 3.49Å; T1962-Y1965 HydrophobicContact CG2-CD2 4.07Å; T1962-Y1965 HydrophobicContact CG2-CE1 3.88Å; T1962-Y1965 HydrophobicContact CG2-CE2 4.41Å; T1962-Y1965 HydrophobicContact CG2-CG 3.61Å; T1962-Y1965 VanDerWaalsContact N-CD2 3.33Å | ||
| 1966 | R | 27.1 | Very low | 29.7 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 60% | 0.6 | 67% | 0.669 | S | S | * | * | trans | 68 | 137.8 | 173.9 | -61.8 | 133.2 | -179.3 | 165.7 | 1.2 | 115.5 | Y1968 | R1966-Y1968 HydrophobicContact CB-CD2 4.41Å; R1966-Y1968 HydrophobicContact CG-CD2 4.08Å; R1966-Y1968 HydrophobicContact CG-CE2 3.87Å | ||
| 1967 | K | 39.2 | Very low | 29.5 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | cis | -119.3 | 134.3 | -2 | -77.7 | -172.2 | 176.4 | 174.2 | 0 | 109.4 | ||||
| 1968 | Y | 33.4 | Very low | 29.2 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 51% | 0.514 | 67% | 0.674 | S | S | . | * | 61.3 | 106.3 | 72.2 | -67 | -65.4 | 0 | 0 | 0 | 111.2 | R1966 L1970 | R1966-Y1968 HydrophobicContact CB-CD2 4.41Å; R1966-Y1968 HydrophobicContact CG-CD2 4.08Å; R1966-Y1968 HydrophobicContact CG-CE2 3.87Å; Y1968-L1970 HydrophobicContact CD1-CD1 4.3Å | |||
| 1969 | D | 24.3 | Very low | 29.2 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | cis | 65.9 | 150.9 | 32.8 | -159.8 | 14.9 | 0 | 0 | 0 | 113.4 | ||||
| 1970 | L | 25.7 | Very low | 29.1 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | trans | 74.7 | 142.8 | -168.9 | -48.9 | 161.1 | 0 | 0 | 0 | 113.7 | Y1968 | Y1968-L1970 HydrophobicContact CD1-CD1 4.3Š| ||
| 1971 | L | 30.7 | Very low | 29.2 | Very low | 166 Ų | 166 | 127 Ų | 127 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | cis | -124.3 | 156 | 3.7 | -69.7 | 79.1 | 0 | 0 | 0 | 110.5 | ||||
| 1972 | G | 30.9 | Very low | 29.3 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | cis | 155.6 | 173.3 | -6.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1973 | N | 31.7 | Very low | 29.5 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | 74.6 | 136.5 | 167.1 | -62.4 | -12.3 | 0 | 0 | 0 | 118.6 | ||||
| 1974 | S | 30.6 | Very low | 29.4 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | cis | -168.1 | 148.4 | -4.1 | 42.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1975 | T | 31.1 | Very low | 28.5 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | trans | 60.6 | 148.1 | 150.1 | 50.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1976 | S | 30.2 | Very low | 28.6 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 57% | 0.573 | 73% | 0.733 | S | S | * | * | cis | -163.8 | 159.8 | -14.2 | 51.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1977 | V | 26.1 | Very low | 28.8 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | cis | 100.9 | 86.4 | 5.8 | -174.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1978 | Q | 28.3 | Very low | 28.3 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | 178.1 | 127.6 | 144.3 | -95.3 | 175.8 | 35.1 | 0 | 0 | 108.7 | ||||
| 1979 | K | 26 | Very low | 28.2 | Very low | 198 Ų | 198 | 132.9 Ų | 132.9 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | 65.2 | 136.7 | 76.8 | -70.3 | -172.1 | 175.1 | -177.3 | 0 | 113.5 | |||||
| 1980 | T | 28.6 | Very low | 29.1 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | cis | -130.8 | 150.6 | 22.4 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1981 | A | 24.7 | Very low | 29.6 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | 45.6 | 135.4 | 80.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1982 | S | 25.1 | Very low | 29.8 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -155.3 | -178.6 | 15.9 | 44.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1983 | Y | 28 | Very low | 29.9 | Very low | 205 Ų | 205 | 135 Ų | 135 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | cis | -168 | 160.3 | 34.1 | -119.4 | -59.3 | 0 | 0 | 0 | 111.8 | ||||
| 1984 | I | 28.4 | Very low | 29.8 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 68.6 | 144.5 | 158.6 | -60.9 | 163.9 | 0 | 0 | 0 | 117.1 | ||||
| 1985 | S | 24.1 | Very low | 29.9 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | cis | 176.7 | 163.9 | -28.2 | -82 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1986 | T | 26.1 | Very low | 29.8 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | cis | -159 | 178.4 | -6.6 | 11.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1987 | S | 31 | Very low | 29.7 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | trans | -92.5 | -178.1 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1988 | S | 29.3 | Very low | 29.9 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | 177.6 | 177.4 | 71.3 | -62.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1989 | Y | 30.7 | Very low | 29.8 | Very low | 229 Ų | 229 | 130.1 Ų | 130.1 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | trans | -92.5 | -161.9 | 170.1 | -86.8 | -95.5 | 0 | 0 | 0 | 112 | ||||
| 1990 | P | 43.4 | Very low | 30 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | -126.4 | 178 | -96.9 | 39.2 | -18.8 | 0 | 0 | 0 | 117.8 | |||||
| 1991 | N | 35.7 | Very low | 29.9 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | trans | 79.8 | 102.9 | 164.8 | -93.3 | 10 | 0 | 0 | 0 | 122.7 | ||||
| 1992 | Q | 35.6 | Very low | 30 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | trans | 64 | 116.8 | 142.2 | -65.6 | -170.2 | -21.4 | 0 | 0 | 125.4 | ||||
| 1993 | S | 32.1 | Very low | 30.2 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | 101.7 | 110 | 132.5 | 63.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 1994 | S | 31.7 | Very low | 30.4 | Very low | 54 Ų | 54 | 131 Ų | 131 | 38% | 0.378 | 71% | 0.711 | S | S | . | * | trans | 70.6 | 140.4 | 135.9 | 53.3 | 0 | 0 | 0 | 0 | 125.5 | T1946 | T1946-S1994 PolarHBondContact N-O 2.98Š| ||
| 1995 | S | 30.7 | Very low | 30.4 | Very low | 40 Ų | 40 | 130.4 Ų | 130.4 | 28% | 0.28 | 71% | 0.709 | S | S | . | * | trans | 36.9 | 131.1 | 161.8 | 57.8 | 0 | 0 | 0 | 0 | 121.7 | V394 N1944 N1945 T1946 | V394-S1995 VanDerWaalsContact CG1-OG 3.29Å; V394-S1995 WeakPolarHBondContact CG1-OG 3.16Å; N1944-S1995 WeakPolarHBondContact O-CA 3.4Å; N1944-S1995 PolarHBondContact O-N 3.35Å; N1945-S1995 VanDerWaalsContact N-N 3.14Å; N1945-S1995 CarbonylContact O-C 3.15Å; T1946-S1995 CarbonylContact C-O 3.48Å; T1946-S1995 VanDerWaalsContact N-N 3.2Å; T1946-S1995 PolarHBondContact N-O 3.07Å; T1946-S1995 CarbonylContact O-C 3.15Å | ||
| 1996 | I | 30.6 | Very low | 30.9 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | cis | -149.7 | -175.3 | 4.3 | -153.9 | 161.2 | 0 | 0 | 0 | 114.9 | N1945 T1946 | N1945-I1996 CarbonylContact O-C 3.51Å; N1945-I1996 WeakPolarHBondContact O-CA 3.26Å; N1945-I1996 PolarHBondContact O-N 3.25Å; T1946-I1996 PolarHBondContact O-N 3.14Å | ||
| 1997 | Q | 28.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | trans | -93.2 | -166.9 | -174.6 | -64.1 | 176.6 | -100.8 | 0 | 0 | 116.1 | ||||
| 1998 | F | 28.9 | Very low | 30.6 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 80% | 0.803 | 71% | 0.705 | S | S | * | * | trans | 94.5 | 139.9 | 165 | -68.2 | -100.5 | 0 | 0 | 0 | 117.3 | ||||
| 1999 | S | 27.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 52% | 0.524 | 70% | 0.701 | S | S | . | * | cis | -166.6 | 178.5 | -18.7 | 54.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 2000 | D | 29.6 | Very low | 30 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 72% | 0.717 | 69% | 0.694 | S | S | * | * | trans | 57.2 | 116 | 155.8 | -42.6 | -39.3 | 0 | 0 | 0 | 118.4 | ||||
| 2001 | S | 26.7 | Very low | 29 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | 64.1 | 108.1 | 54.5 | 83.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 2002 | D | 26.5 | Very low | 28.5 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | -174.9 | 175.1 | 111.8 | -105.2 | -20.8 | 0 | 0 | 0 | 113.6 | |||||
| 2003 | K | 29.6 | Very low | 27.9 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 77% | 0.774 | 68% | 0.684 | S | S | * | * | trans | 86.5 | 119.7 | -177.4 | -56.5 | -175.7 | 179.8 | 177.9 | 0 | 114.4 | ||||
| 2004 | F | 31.7 | Very low | 27.5 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | S | Bend | cis | -154.2 | 154.3 | -3.4 | -116.6 | -62.4 | 0 | 0 | 0 | 111 | ||
| 2005 | N | 29.3 | Very low | 27 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | 76.1 | 138.6 | 168.6 | -69.4 | -2.4 | 0 | 0 | 0 | 117 | ||||
| 2006 | P | 34.1 | Very low | 26.6 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | -142.9 | 171.1 | -99.4 | 41.6 | -24.3 | 0 | 0 | 0 | 117.3 | |||||
| 2007 | V | 26 | Very low | 26.3 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | trans | 47.6 | 112.9 | 135.7 | 177 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2008 | S | 23.7 | Very low | 26.2 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | trans | -14.6 | 169.3 | 142.1 | 67.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2009 | S | 24.2 | Very low | 26.2 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | cis | -168.3 | 153.5 | 31.2 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2010 | Q | 24 | Very low | 26.4 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | trans | 67.1 | 139 | 141.3 | -82.5 | -172.6 | -0.1 | 0 | 0 | 123 | ||||
| 2011 | N | 23 | Very low | 26.2 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | trans | 79.6 | 135.1 | 142.6 | -65.1 | -19.7 | 0 | 0 | 0 | 122.3 | ||||
| 2012 | N | 24.8 | Very low | 26.7 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | 75.6 | 110.5 | 148.9 | -74 | -39.2 | 0 | 0 | 0 | 121.7 | ||||
| 2013 | R | 23.1 | Very low | 27.4 | Very low | 209 Ų | 209 | 137 Ų | 137 | 79% | 0.789 | 73% | 0.73 | S | S | * | * | 79.5 | 119.3 | 121.9 | -73.1 | -177 | 175 | -157 | -2.6 | 121.1 | |||||
| 2014 | L | 22.9 | Very low | 27.4 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | 78.2 | 126.6 | 129.8 | -62.7 | 170 | 0 | 0 | 0 | 120.6 | |||||
| 2015 | N | 22.5 | Very low | 27.2 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 69.3 | 119.5 | 138.6 | -57.2 | -1.3 | 0 | 0 | 0 | 122.1 | ||||
| 2016 | M | 22.4 | Very low | 28.3 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | trans | 67 | 118.7 | 130.1 | -64.9 | 177.3 | 66.4 | 0 | 0 | 122.9 | ||||
| 2017 | E | 23.1 | Very low | 27.8 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -9 | 161.4 | 150.8 | -66.2 | 86 | 93.5 | 0 | 0 | 120.4 | ||||
| 2018 | V | 26.2 | Very low | 28.3 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | cis | -130.6 | -116.3 | 27.8 | -153.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 2019 | H | 28.5 | Very low | 28.6 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | cis | -159.1 | 158.7 | 0.3 | -126.1 | -54.8 | 0 | 0 | 0 | 112.2 | ||||
| 2020 | N | 31.6 | Very low | 29.5 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | trans | 30.3 | 97.5 | 154.6 | -65.8 | 13 | 0 | 0 | 0 | 119.8 | ||||
| 2021 | T | 26.3 | Very low | 30.2 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | 76.1 | 98.1 | 82 | 60 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 2022 | S | 36.7 | Very low | 30.7 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 174.6 | 161.6 | 143.4 | -81 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2023 | P | 42 | Very low | 30.8 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | S | Bend | -120.7 | 165.6 | -60.1 | 37.3 | -23.9 | 0 | 0 | 0 | 111.1 | Y2025 | P2023-Y2025 PolarHBondContact O-N 2.87Š| |
| 2024 | T | 28.6 | Very low | 31.2 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 51.1 | 56.9 | 167.5 | -45.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 2025 | Y | 27.2 | Very low | 31.9 | Very low | 215 Ų | 215 | 143.2 Ų | 143.2 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -130.2 | 153.1 | 178.3 | -123.4 | -103.3 | 0 | 0 | 0 | 113.3 | P2023 | P2023-Y2025 PolarHBondContact O-N 2.87Š| ||
| 2026 | P | 53.1 | Low | 32.2 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -83.9 | -173.3 | 177.5 | -6.8 | 27.3 | 0 | 0 | 0 | 112.5 | ||||
| 2027 | R | 23.6 | Very low | 32.4 | Very low | 248 Ų | 248 | 139.6 Ų | 139.6 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | trans | 74 | 165.9 | -174.8 | -80.6 | -174.9 | 175.5 | -154.8 | 0.6 | 113.1 | ||||
| 2028 | P | 37.3 | Very low | 33.3 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -110.7 | -177.4 | -138.2 | 41.7 | -38.7 | 0 | 0 | 0 | 117 | ||||
| 2029 | I | 29.8 | Very low | 33.4 | Very low | 162 Ų | 162 | 137 Ų | 137 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | 113.7 | 161.3 | 160 | -62.8 | 161.6 | 0 | 0 | 0 | 115.3 | ||||
| 2030 | T | 42.6 | Very low | 33.4 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -87.7 | 153.2 | -142.9 | 49.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 2031 | T | 39.1 | Very low | 33.5 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -140.8 | 161.8 | 141.5 | 32.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2032 | P | 33 | Very low | 33.6 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | trans | -120 | 165.3 | -156 | 41.2 | -30.6 | 0 | 0 | 0 | 117 | ||||
| 2033 | S | 27.3 | Very low | 33 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 76.1 | 131.2 | 172.4 | -36.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2034 | Y | 31.4 | Very low | 32 | Very low | 236 Ų | 236 | 131.9 Ų | 131.9 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | S | Bend | cis | -65 | 165.4 | -0.6 | -114.9 | -119.2 | 0 | 0 | 0 | 114 | ||
| 2035 | V | 38.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -128 | 119.2 | -147.2 | -175 | 0 | 0 | 0 | 0 | 114.1 | ||
| 2036 | P | 27.7 | Very low | 31.7 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | cis | -135.5 | 139.1 | -30.5 | 33.1 | -14.1 | 0 | 0 | 0 | 114.7 | ||||
| 2037 | S | 26.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | 62.1 | 58.1 | 150.3 | -51.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2038 | P | 42.8 | Very low | 30.4 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | -107.9 | 140.1 | 155.3 | 37 | -28.6 | 0 | 0 | 0 | 112.5 | P2040 | P2038-P2040 VanDerWaalsContact C-CD 3.48Å; P2038-P2040 HydrophobicContact CB-CG 4.49Å; P2038-P2040 WeakPolarHBondContact O-CD 3.39Å | ||
| 2039 | P | 27.9 | Very low | 30.2 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | trans | -115.3 | 86.9 | 162.3 | 26.7 | -9.7 | 0 | 0 | 0 | 112.3 | ||||
| 2040 | P | 28.2 | Very low | 29.8 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | trans | -67 | 149.4 | 161.7 | -16.7 | 34.5 | 0 | 0 | 0 | 111.1 | P2038 | P2038-P2040 VanDerWaalsContact C-CD 3.48Å; P2038-P2040 HydrophobicContact CB-CG 4.49Å; P2038-P2040 WeakPolarHBondContact O-CD 3.39Å | ||
| 2041 | V | 34.2 | Very low | 29.2 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 63% | 0.63 | 74% | 0.735 | S | S | * | * | 74.1 | 137.2 | 91.7 | 178.2 | 0 | 0 | 0 | 0 | 114 | T2043 | V2041-T2043 HydrophobicContact CG1-CG2 3.84Š| |||
| 2042 | P | 28.8 | Very low | 28.6 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | -113.7 | 143.5 | 126.8 | 33.7 | -32.8 | 0 | 0 | 0 | 110.7 | |||||
| 2043 | T | 23.1 | Very low | 28.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | cis | 39.3 | 96.8 | 11 | 64.3 | 0 | 0 | 0 | 0 | 114 | V2041 | V2041-T2043 HydrophobicContact CG1-CG2 3.84Š| ||
| 2044 | A | 23 | Very low | 28.6 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 60% | 0.595 | 72% | 0.719 | S | S | * | * | cis | -120.1 | -165.9 | 37.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2045 | E | 25.1 | Very low | 28.8 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | cis | -156 | 148.4 | 16 | -142.1 | 131 | -123.8 | 0 | 0 | 112.5 | ||||
| 2046 | Y | 23.3 | Very low | 28.2 | Very low | 210 Ų | 210 | 129.8 Ų | 129.8 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | -59.3 | 158.9 | 148.3 | -99.9 | -107.2 | 0 | 0 | 0 | 108.3 | ||||
| 2047 | P | 27.6 | Very low | 28.3 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | -154.6 | -176.5 | 52 | 43 | -21.4 | 0 | 0 | 0 | 117.2 | |||||
| 2048 | Q | 22.4 | Very low | 28.3 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 64% | 0.64 | 70% | 0.7 | S | S | * | * | trans | 24.4 | 128.7 | 135.9 | -56.3 | 149.9 | 0.9 | 0 | 0 | 116.7 | ||||
| 2049 | Y | 32.2 | Very low | 27.3 | Very low | 203 Ų | 203 | 132.3 Ų | 132.3 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | -156.1 | 139.2 | 67.9 | -109.5 | -89.5 | 0 | 0 | 0 | 115.1 | |||||
| 2050 | H | 21.8 | Very low | 27.1 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 75% | 0.745 | 70% | 0.703 | S | S | * | * | trans | -43.3 | 171.2 | 155.2 | -71.4 | -83.2 | 0 | 0 | 0 | 115.4 | ||||
| 2051 | P | 30.5 | Very low | 27.1 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | cis | -126.7 | -137.3 | -42.7 | 34.1 | -11.7 | 0 | 0 | 0 | 106 | ||||
| 2052 | P | 26.7 | Very low | 26.5 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 62% | 0.617 | 70% | 0.704 | S | S | * | * | cis | -137.4 | -169 | -9 | 46.3 | -28.3 | 0 | 0 | 0 | 115.9 | ||||
| 2053 | E | 32.3 | Very low | 26.4 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 67% | 0.673 | 70% | 0.703 | S | S | * | * | trans | 71.9 | 150.5 | 154.7 | -74.6 | -175 | 124.5 | 0 | 0 | 118.3 | ||||
| 2054 | R | 27.4 | Very low | 26.4 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 65% | 0.653 | 70% | 0.698 | S | S | * | * | cis | 149.2 | 171.3 | -6.9 | -179.5 | -175 | -114.5 | 160.6 | -11.1 | 104.1 | E2056 | R2054-E2056 VanDerWaalsContact CG-OE2 3.3Å; R2054-E2056 WeakPolarHBondContact CG-OE2 3.38Å | ||
| 2055 | L | 35.4 | Very low | 26.6 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | 63.9 | 56.2 | 176.3 | -46 | -179.9 | 0 | 0 | 0 | 112.7 | ||||
| 2056 | E | 25.4 | Very low | 26.5 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 55% | 0.551 | 69% | 0.694 | S | S | * | * | 65.8 | 141.2 | 62.5 | -62.3 | 159.8 | 118.2 | 0 | 0 | 115.5 | R2054 V2058 | R2054-E2056 VanDerWaalsContact CG-OE2 3.3Å; R2054-E2056 WeakPolarHBondContact CG-OE2 3.38Å; E2056-V2058 HydrophobicContact CB-CB 3.88Å; E2056-V2058 HydrophobicContact CB-CG2 3.76Å; E2056-V2058 HydrophobicContact CG-CG2 4.15Å; E2056-V2058 PolarHBondContact O-N 2.94Å; E2056-V2058 WeakPolarHBondContact OE1-CG2 3.48Å | |||
| 2057 | P | 31 | Very low | 26.4 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 92% | 0.916 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -77.7 | 88.2 | 147.4 | 33.4 | -28.3 | 0 | 0 | 0 | 109 | ||
| 2058 | V | 24.6 | Very low | 26.2 | Very low | 87 Ų | 87 | 137 Ų | 137 | 53% | 0.527 | 69% | 0.693 | S | S | . | * | trans | -112 | 105.6 | -178.4 | 136.4 | 0 | 0 | 0 | 0 | 113.2 | E2056 | E2056-V2058 HydrophobicContact CB-CB 3.88Å; E2056-V2058 HydrophobicContact CB-CG2 3.76Å; E2056-V2058 HydrophobicContact CG-CG2 4.15Å; E2056-V2058 PolarHBondContact O-N 2.94Å; E2056-V2058 WeakPolarHBondContact OE1-CG2 3.48Å | ||
| 2059 | H | 22.6 | Very low | 26.2 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 68% | 0.676 | 70% | 0.701 | S | S | * | * | 46 | 95.2 | 109.9 | -143.8 | -91.6 | 0 | 0 | 0 | 118.6 | |||||
| 2060 | W | 23.9 | Very low | 25.7 | Very low | 239 Ų | 239 | 132.8 Ų | 132.8 | 91% | 0.905 | 69% | 0.694 | S | S | * | * | -130.5 | 143.9 | 129.4 | 70 | -81.8 | 0 | 0 | 0 | 108.1 | |||||
| 2061 | S | 27.3 | Very low | 25.7 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | cis | -158.3 | 134.8 | -24.6 | 42.9 | 0 | 0 | 0 | 0 | 107.5 | Y2063 | S2061-Y2063 PolarHBondContact O-N 3.4Å; S2061-Y2063 VanDerWaalsContact O-N 3.1Å | ||
| 2062 | T | 22.8 | Very low | 25.5 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | -59.9 | 113.2 | 169.7 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2063 | Y | 26.2 | Very low | 25.4 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | trans | -145.5 | 150.5 | 151.8 | -116.6 | -82 | 0 | 0 | 0 | 113.2 | S2061 | S2061-Y2063 PolarHBondContact O-N 3.4Å; S2061-Y2063 VanDerWaalsContact O-N 3.1Å | ||
| 2064 | K | 23.5 | Very low | 25.3 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 62% | 0.617 | 70% | 0.704 | S | S | * | * | trans | -45.8 | 148.6 | 172.9 | -49.6 | 161.4 | -165.9 | 172.8 | 0 | 110 | ||||
| 2065 | H | 27.1 | Very low | 25 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | -148.4 | 130.5 | 54.9 | -94.1 | -94.2 | 0 | 0 | 0 | 110.8 | |||||
| 2066 | C | 22.8 | Very low | 24.7 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | 75.8 | 96.2 | 80.8 | -67.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 2067 | S | 21.7 | Very low | 24.8 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | 39.3 | 116.2 | 115.7 | 63.4 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 2068 | S | 22.6 | Very low | 24.5 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | 43.7 | 126.1 | 133.1 | 63.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2069 | T | 23.1 | Very low | 24.4 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | -149.1 | 170.7 | 111.6 | -4.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 2070 | N | 21.7 | Very low | 25.1 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | trans | -38.9 | 174.8 | 175.9 | -46.6 | -6.6 | 0 | 0 | 0 | 116.8 | ||||
| 2071 | E | 21.8 | Very low | 25.5 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | 66.2 | 122.2 | 148.1 | -74.2 | 149.8 | -117.2 | 0 | 0 | 115.8 | ||||
| 2072 | S | 25.5 | Very low | 25.3 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | -173.9 | 163.9 | 27.1 | 45 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2073 | H | 25.6 | Very low | 25.6 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | 61 | 140.5 | 142 | -91.9 | -94.6 | 0 | 0 | 0 | 122 | ||||
| 2074 | L | 28.4 | Very low | 25.6 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | 68.6 | 101.2 | 156.1 | -59.1 | 166.6 | 0 | 0 | 0 | 114.8 | ||||
| 2075 | S | 22.8 | Very low | 25.7 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | 58 | 148.5 | 33.4 | -31.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2076 | P | 28.1 | Very low | 26.1 | Very low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | cis | -127.1 | -166.4 | 20.9 | 46.3 | -30.9 | 0 | 0 | 0 | 112.1 | ||||
| 2077 | M | 27.3 | Very low | 26.5 | Very low | 162 Ų | 162 | 126 Ų | 126 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | cis | -138 | 160.1 | 7.7 | -98.4 | -164 | 100.8 | 0 | 0 | 112.4 | ||||
| 2078 | S | 24.4 | Very low | 26.6 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | trans | 16.6 | 120.7 | 138.8 | -75.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2079 | T | 23.1 | Very low | 26.7 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | 65.8 | 129.5 | 66.4 | 72.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 2080 | N | 37 | Very low | 26.8 | Very low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | trans | -18.4 | 156.4 | 137.5 | -67.9 | -10.7 | 0 | 0 | 0 | 115.8 | ||||
| 2081 | P | 32.1 | Very low | 27.3 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | cis | -142.3 | -157.3 | 4.5 | 40.8 | -19.2 | 0 | 0 | 0 | 114.9 | ||||
| 2082 | I | 23.2 | Very low | 27.7 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 66.8 | 92.2 | 154.5 | -64.4 | 169.2 | 0 | 0 | 0 | 117.8 | ||||
| 2083 | N | 29.7 | Very low | 27.8 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | 56 | 152.3 | 103.9 | -155.5 | 21.1 | 0 | 0 | 0 | 121.8 | |||||
| 2084 | V | 27.1 | Very low | 28.3 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 55% | 0.545 | 74% | 0.736 | S | S | . | * | trans | 64.6 | 93.5 | 168.2 | -146 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2085 | Q | 24.5 | Very low | 28.2 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | -178 | 110.2 | 105.1 | -91.5 | 176.3 | 17.2 | 0 | 0 | 107.2 | |||||
| 2086 | S | 35.4 | Very low | 28.2 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | cis | 60.9 | 83.6 | 28.7 | 92.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2087 | P | 32 | Very low | 28.3 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | -117.2 | 149.6 | 117.1 | 35.8 | -34.3 | 0 | 0 | 0 | 110.8 | |||||
| 2088 | T | 24 | Very low | 28.3 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | cis | -150.2 | 160.4 | -6.6 | 1.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2089 | T | 23 | Very low | 28.4 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | -24 | 138.3 | 146.4 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2090 | N | 26.4 | Very low | 28.7 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | -165 | 158.6 | 99.2 | -92.1 | -20.9 | 0 | 0 | 0 | 112.4 | |||||
| 2091 | S | 31.2 | Very low | 28.4 | Very low | 83 Ų | 83 | 128 Ų | 128 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | trans | 41.6 | 116.8 | 149.9 | 58.5 | 0 | 0 | 0 | 0 | 118.5 | L2093 | S2091-L2093 VanDerWaalsContact CA-N 3.26Å; S2091-L2093 VanDerWaalsContact CB-N 3.28Å | ||
| 2092 | S | 31.3 | Very low | 28.4 | Very low | 132 Ų | 132 | 131 Ų | 131 | 92% | 0.923 | 72% | 0.722 | S | S | * | * | cis | 42.1 | 33.7 | 10.2 | -161.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 2093 | L | 26.7 | Very low | 28.8 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | -112.5 | 95.3 | 150.4 | -83 | 171.4 | 0 | 0 | 0 | 106.5 | S2091 | S2091-L2093 VanDerWaalsContact CA-N 3.26Å; S2091-L2093 VanDerWaalsContact CB-N 3.28Å | ||
| 2094 | K | 36.7 | Very low | 28.7 | Very low | 190 Ų | 190 | 127.1 Ų | 127.1 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | -53.1 | 145.4 | 127.8 | -67.9 | -176.4 | 176.7 | -175.5 | 0 | 106.7 | |||||
| 2095 | P | 25.5 | Very low | 28.5 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 60% | 0.597 | 71% | 0.708 | S | S | * | * | -123.4 | -165 | 111.1 | 37.5 | -35.1 | 0 | 0 | 0 | 110.5 | |||||
| 2096 | M | 23.4 | Very low | 28.6 | Very low | 152 Ų | 152 | 124 Ų | 124 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | trans | 6.7 | 124.9 | 138.9 | -74.4 | 80.9 | 83.4 | 0 | 0 | 115.9 | ||||
| 2097 | D | 30.4 | Very low | 28.1 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | cis | -142.8 | 132 | 20 | -86.9 | -40.4 | 0 | 0 | 0 | 112.5 | ||||
| 2098 | Q | 27.8 | Very low | 27.7 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | 90.6 | 126.6 | 107.6 | -72.9 | 177.7 | 42.2 | 0 | 0 | 111.3 | |||||
| 2099 | L | 25.7 | Very low | 27.7 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | 60.1 | 146.9 | 75.6 | -86.6 | 155 | 0 | 0 | 0 | 111.4 | |||||
| 2100 | T | 29.4 | Very low | 28 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | trans | 50.3 | 109.2 | 166.4 | 54.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2101 | N | 31.6 | Very low | 28.7 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | cis | -173.2 | 152.8 | 35.3 | -97.7 | -6.6 | 0 | 0 | 0 | 105.7 | ||||
| 2102 | M | 31.4 | Very low | 28.7 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 83% | 0.828 | 70% | 0.696 | S | S | * | * | cis | 37.4 | 87.9 | 24.1 | -106.1 | -59.9 | 179.1 | 0 | 0 | 113.1 | ||||
| 2103 | P | 32.8 | Very low | 28.3 | Very low | 77 Ų | 77 | 128 Ų | 128 | 50% | 0.5 | 69% | 0.691 | S | S | . | * | -147.4 | -155.7 | 50.5 | 33.5 | -7.5 | 0 | 0 | 0 | 112.8 | |||||
| 2104 | D | 25.5 | Very low | 28.1 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | 57.4 | 147.6 | 126.8 | -71.1 | -8.6 | 0 | 0 | 0 | 122 | |||||
| 2105 | S | 24.5 | Very low | 27.6 | Very low | 78 Ų | 78 | 125 Ų | 125 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | cis | -178.3 | -148.8 | -14.4 | 53.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 2106 | D | 25.2 | Very low | 27.6 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | trans | 47 | 86.7 | 141.9 | -65.4 | -53.1 | 0 | 0 | 0 | 118.4 | ||||
| 2107 | S | 25.1 | Very low | 27.6 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 57% | 0.573 | 69% | 0.691 | S | S | * | * | 77.1 | -179.7 | 55.7 | 89.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2108 | N | 24.3 | Very low | 27.4 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 60% | 0.604 | 70% | 0.701 | S | S | * | * | trans | 44.5 | 89.7 | 151.7 | -62.9 | -16 | 0 | 0 | 0 | 117.4 | ||||
| 2109 | Y | 24.3 | Very low | 27.4 | Very low | 207 Ų | 207 | 132 Ų | 132 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | -174.6 | 165.2 | 83.7 | -95.5 | -73.4 | 0 | 0 | 0 | 109.3 | |||||
| 2110 | P | 28.4 | Very low | 27.5 | Very low | 104 Ų | 104 | 131 Ų | 131 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | -136.4 | -128.1 | -124.6 | 38.3 | -10.8 | 0 | 0 | 0 | 111.4 | |||||
| 2111 | P | 42.2 | Very low | 27.3 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | -71.6 | 172.1 | 179.9 | 37.7 | -40.6 | 0 | 0 | 0 | 111.6 | ||||
| 2112 | P | 29.7 | Very low | 26.9 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | cis | -158.5 | 174.2 | 40.2 | 46 | -23.8 | 0 | 0 | 0 | 122.3 | ||||
| 2113 | L | 23.1 | Very low | 26.6 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | trans | 52.2 | 120.6 | 141 | -74.2 | 164.5 | 0 | 0 | 0 | 122.1 | ||||
| 2114 | S | 23.8 | Very low | 26.1 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | 77.4 | 155.8 | 148.4 | 87.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2115 | K | 25.4 | Very low | 26 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | cis | -158.1 | 158.2 | 11.2 | -140 | 161.3 | -173.7 | 174 | 0 | 110.8 | ||||
| 2116 | Y | 26.5 | Very low | 26 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | 59.8 | 113.9 | 163.9 | -71.2 | -67.5 | 0 | 0 | 0 | 122.5 | ||||
| 2117 | S | 23.7 | Very low | 26 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | 37.7 | 118 | 128.7 | -159.6 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 2118 | N | 26 | Very low | 26.3 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | -173.5 | 168.2 | 106.1 | -90.9 | -20.7 | 0 | 0 | 0 | 113.5 | |||||
| 2119 | K | 27.1 | Very low | 26.6 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -71.2 | 160.4 | 177.2 | -57.6 | 177.5 | -179.3 | -179.6 | 0 | 111.8 | ||||
| 2120 | P | 26.8 | Very low | 27.3 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 74% | 0.744 | S | S | * | * | -139.7 | -179 | 119 | 39.2 | -28.3 | 0 | 0 | 0 | 114.6 | |||||
| 2121 | V | 25.3 | Very low | 29.1 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | trans | -109.5 | 135.6 | -172.4 | 168.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2122 | V | 25 | Very low | 30.5 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | trans | 9.5 | 130.2 | 145.7 | -171.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2123 | F | 24.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 70% | 0.697 | 67% | 0.673 | S | S | * | * | -169.7 | 118.8 | 111.2 | -109.3 | -80.8 | 0 | 0 | 0 | 116 | |||||
| 2124 | R | 23.2 | Very low | 34.9 | Very low | 215 Ų | 215 | 116.5 Ų | 116.5 | 81% | 0.811 | 66% | 0.656 | S | S | * | * | trans | 25 | 129.8 | 153.6 | -63 | 178.1 | -175 | 167.2 | 3.4 | 121.6 | ||||
| 2125 | S | 21.6 | Very low | 37.3 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 78% | 0.783 | 64% | 0.643 | S | S | * | * | -165.1 | 165 | 99.2 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2126 | S | 25.6 | Very low | 40.1 | Very low | 103 Ų | 103 | 110 Ų | 110 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | trans | 51.5 | 104.8 | 168.1 | 56.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2127 | S | 24.7 | Very low | 42.9 | Very low | 118 Ų | 118 | 106 Ų | 106 | 83% | 0.825 | 61% | 0.605 | S | S | * | * | 48.3 | 149.8 | 129 | -51.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 2128 | P | 31.5 | Very low | 45.8 | Very low | 108 Ų | 108 | 104 Ų | 104 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | cis | -134.4 | 130.2 | -42.8 | 35.8 | -19.2 | 0 | 0 | 0 | 112.7 | S2130 | P2128-S2130 PolarHBondContact O-N 3.4Å; P2128-S2130 VanDerWaalsContact O-N 3.15Å | ||
| 2129 | T | 31.9 | Very low | 48.6 | Very low | 112 Ų | 112 | 97.3 Ų | 97.3 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | trans | -81.2 | 96.5 | -179.5 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2130 | S | 38.4 | Very low | 51.6 | Low | 92 Ų | 92 | 92.1 Ų | 92.1 | 64% | 0.643 | 54% | 0.537 | S | S | * | . | trans | -108.1 | 51 | -176.1 | 72.4 | 0 | 0 | 0 | 0 | 114.8 | P2128 | P2128-S2130 PolarHBondContact O-N 3.4Å; P2128-S2130 VanDerWaalsContact O-N 3.15Å | ||
| 2131 | S | 64.8 | Low | 54.4 | Low | 28 Ų | 28 | 89.2 Ų | 89.2 | 20% | 0.196 | 52% | 0.519 | C | S | . | . | trans | -144.8 | 135.1 | 166 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | A2133 S2134 E2179 | S2131-A2133 VanDerWaalsContact C-N 3.25Å; S2131-A2133 PolarHBondContact O-N 2.73Å; S2131-A2133 PolarHBondContact OG-N 3.22Å; S2131-S2134 PolarHBondContact O-N 3.36Å; S2131-E2179 WeakPolarHBondContact CB-OE2 3.32Å; S2131-E2179 PolarHBondContact OG-OE2 2.75Å | ||
| 2132 | A | 71.8 | Confident | 57.4 | Low | 4 Ų | 4 | 87.6 Ų | 87.6 | 3% | 0.033 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.3 | -31.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2134 R2135 V2136 L2175 A2176 E2179 | A2132-S2134 VanDerWaalsContact C-N 3.29Å; A2132-S2134 PolarHBondContact O-N 2.99Å; A2132-R2135 WeakPolarHBondContact O-CA 3.45Å; A2132-R2135 WeakPolarHBondContact O-CB 3.15Å; A2132-R2135 PolarHBondContact O-N 3.42Å; A2132-V2136 WeakPolarHBondContact O-CG2 3.4Å; A2132-V2136 PolarHBondContact O-N 3.37Å; A2132-L2175 HydrophobicContact CB-CB 3.46Å; A2132-L2175 VanDerWaalsContact CB-CB 3.46Å; A2132-A2176 HydrophobicContact CB-CB 4.19Å; A2132-E2179 WeakPolarHBondContact CB-OE1 3.23Å; A2132-E2179 VanDerWaalsContact N-CD 3.35Å; A2132-E2179 PolarHBondContact N-OE1 3.08Å; A2132-E2179 PolarHBondContact N-OE2 2.7Å; A2132-E2179 VanDerWaalsContact N-OE2 3.17Å |
| 2133 | A | 74.8 | Confident | 60.7 | Low | 45 Ų | 45 | 83.2 Ų | 83.2 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2131 V2136 I2137 A2176 | S2131-A2133 VanDerWaalsContact C-N 3.25Å; S2131-A2133 PolarHBondContact O-N 2.73Å; S2131-A2133 PolarHBondContact OG-N 3.22Å; A2133-V2136 PolarHBondContact O-N 3.01Å; A2133-I2137 PolarHBondContact O-N 3.23Å; A2133-A2176 HydrophobicContact CB-CB 4.24Å |
| 2134 | S | 71.4 | Confident | 63.8 | Low | 65 Ų | 65 | 78.4 Ų | 78.4 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 173.6 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | S2131 A2132 I2137 A2138 | S2131-S2134 PolarHBondContact O-N 3.36Å; A2132-S2134 VanDerWaalsContact C-N 3.29Å; A2132-S2134 PolarHBondContact O-N 2.99Å; S2134-I2137 PolarHBondContact O-N 3.47Å; S2134-A2138 PolarHBondContact O-N 3.05Å; S2134-A2138 VanDerWaalsContact O-N 3.1Å |
| 2135 | R | 73.1 | Confident | 66.8 | Low | 120 Ų | 120 | 74.3 Ų | 74.3 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 175.1 | -69.7 | -176.2 | 171.8 | -132.1 | -2.7 | 112.2 | A2132 I2137 A2138 I2139 Q2172 | A2132-R2135 WeakPolarHBondContact O-CA 3.45Å; A2132-R2135 WeakPolarHBondContact O-CB 3.15Å; A2132-R2135 PolarHBondContact O-N 3.42Å; R2135-I2137 VanDerWaalsContact C-N 3.29Å; R2135-I2137 PolarHBondContact O-N 2.87Å; R2135-A2138 PolarHBondContact O-N 3.37Å; R2135-I2139 HydrophobicContact CB-CD1 4.31Å; R2135-I2139 WeakPolarHBondContact O-CB 3.22Å; R2135-I2139 WeakPolarHBondContact O-CD1 3.23Å; R2135-I2139 VanDerWaalsContact O-CG1 3.26Å; R2135-I2139 WeakPolarHBondContact O-CG1 3.31Å; R2135-I2139 PolarHBondContact O-N 3.15Å; R2135-Q2172 HydrophobicContact CB-CB 4.3Å; R2135-Q2172 HydrophobicContact CB-CG 3.96Å; R2135-Q2172 VanDerWaalsContact CD-CD 3.45Å |
| 2136 | V | 85.6 | Confident | 70 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 10% | 0.097 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -54.2 | -47 | 174.6 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | A2132 A2133 Q2140 L2169 Q2172 K2173 A2176 | A2132-V2136 WeakPolarHBondContact O-CG2 3.4Å; A2132-V2136 PolarHBondContact O-N 3.37Å; A2133-V2136 PolarHBondContact O-N 3.01Å; V2136-Q2140 VanDerWaalsContact CG1-OE1 3.28Å; V2136-Q2140 WeakPolarHBondContact O-CB 3.26Å; V2136-Q2140 VanDerWaalsContact O-CG 3.31Å; V2136-Q2140 WeakPolarHBondContact O-CG 3.22Å; V2136-Q2140 PolarHBondContact O-N 3.16Å; V2136-L2169 HydrophobicContact CB-CD1 4.33Å; V2136-L2169 HydrophobicContact CG1-CD1 4Å; V2136-L2169 HydrophobicContact CG2-CD1 4.48Å; V2136-L2169 WeakPolarHBondContact O-CD1 3.23Å; V2136-Q2172 HydrophobicContact CG2-CB 3.81Å; V2136-Q2172 VanDerWaalsContact CG2-O 3.31Å; V2136-Q2172 WeakPolarHBondContact CG2-O 3.2Å; V2136-K2173 HydrophobicContact CB-CG 4.4Å; V2136-K2173 HydrophobicContact CG1-CD 4.38Å; V2136-K2173 HydrophobicContact CG1-CG 3.74Å; V2136-K2173 HydrophobicContact CG2-CB 4.33Å; V2136-K2173 HydrophobicContact CG2-CG 3.69Å; V2136-A2176 HydrophobicContact CG2-CB 3.97Å |
| 2137 | I | 84.2 | Confident | 73 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.6 | -49.9 | 177.9 | -63.3 | 168.9 | 0 | 0 | 0 | 110.5 | A2133 S2134 R2135 I2139 Q2140 S2141 | A2133-I2137 PolarHBondContact O-N 3.23Å; S2134-I2137 PolarHBondContact O-N 3.47Å; R2135-I2137 VanDerWaalsContact C-N 3.29Å; R2135-I2137 PolarHBondContact O-N 2.87Å; I2137-I2139 PolarHBondContact O-N 3.3Å; I2137-Q2140 PolarHBondContact O-N 2.94Å; I2137-Q2140 VanDerWaalsContact O-N 3.14Å; I2137-S2141 PolarHBondContact O-N 3.15Å; I2137-S2141 PolarHBondContact O-OG 3.31Å; I2137-S2141 VanDerWaalsContact O-OG 3.14Å |
| 2138 | A | 84.7 | Confident | 75.9 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 44% | 0.438 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S2134 R2135 S2141 E2142 | S2134-A2138 PolarHBondContact O-N 3.05Å; S2134-A2138 VanDerWaalsContact O-N 3.1Å; R2135-A2138 PolarHBondContact O-N 3.37Å; A2138-S2141 WeakPolarHBondContact CA-OG 3.39Å; A2138-S2141 PolarHBondContact O-N 2.9Å; A2138-S2141 PolarHBondContact O-OG 3.45Å; A2138-E2142 PolarHBondContact O-N 2.81Å |
| 2139 | I | 84.5 | Confident | 78.3 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.4 | -31.7 | 179.3 | -59.4 | 156.8 | 0 | 0 | 0 | 110.9 | R2135 I2137 E2142 I2143 L2165 E2168 L2169 Q2172 | R2135-I2139 HydrophobicContact CB-CD1 4.31Å; R2135-I2139 WeakPolarHBondContact O-CB 3.22Å; R2135-I2139 WeakPolarHBondContact O-CD1 3.23Å; R2135-I2139 VanDerWaalsContact O-CG1 3.26Å; R2135-I2139 WeakPolarHBondContact O-CG1 3.31Å; R2135-I2139 PolarHBondContact O-N 3.15Å; I2137-I2139 PolarHBondContact O-N 3.3Å; I2139-E2142 PolarHBondContact O-N 3.1Å; I2139-I2143 HydrophobicContact CG2-CD1 3.83Å; I2139-I2143 HydrophobicContact CG2-CG1 4.27Å; I2139-I2143 WeakPolarHBondContact O-CB 3.25Å; I2139-I2143 VanDerWaalsContact O-CG1 3.28Å; I2139-I2143 WeakPolarHBondContact O-CG1 3.26Å; I2139-I2143 PolarHBondContact O-N 2.77Å; I2139-L2165 HydrophobicContact CG2-CB 4.2Å; I2139-L2165 HydrophobicContact CG2-CD2 4.25Å; I2139-L2165 WeakPolarHBondContact CG2-O 3.35Å; I2139-E2168 HydrophobicContact CD1-CB 4.44Å; I2139-E2168 HydrophobicContact CD1-CG 3.68Å; I2139-L2169 HydrophobicContact CB-CD1 4.3Å; I2139-L2169 HydrophobicContact CG2-CB 3.8Å; I2139-L2169 HydrophobicContact CG2-CD1 4.41Å; I2139-Q2172 HydrophobicContact CD1-CB 4.25Å; I2139-Q2172 HydrophobicContact CD1-CG 3.73Å |
| 2140 | Q | 90.5 | Very high | 80.5 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 171.4 | -77.8 | -176 | -111.1 | 0 | 0 | 112.5 | V2136 I2137 A2144 L2169 | V2136-Q2140 VanDerWaalsContact CG1-OE1 3.28Å; V2136-Q2140 WeakPolarHBondContact O-CB 3.26Å; V2136-Q2140 VanDerWaalsContact O-CG 3.31Å; V2136-Q2140 WeakPolarHBondContact O-CG 3.22Å; V2136-Q2140 PolarHBondContact O-N 3.16Å; I2137-Q2140 PolarHBondContact O-N 2.94Å; I2137-Q2140 VanDerWaalsContact O-N 3.14Å; Q2140-A2144 WeakPolarHBondContact O-CB 3.18Å; Q2140-A2144 PolarHBondContact O-N 3.08Å; Q2140-A2144 VanDerWaalsContact O-N 3.1Å; Q2140-L2169 HydrophobicContact CG-CD1 3.72Å; Q2140-L2169 HydrophobicContact CG-CD2 3.56Å; Q2140-L2169 HydrophobicContact CG-CG 4.3Å |
| 2141 | S | 86.3 | Confident | 82.3 | Confident | 68 Ų | 68 | 65 Ų | 65 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 170.7 | 32.5 | 0 | 0 | 0 | 0 | 112.6 | I2137 A2138 I2143 A2144 E2145 | I2137-S2141 PolarHBondContact O-N 3.15Å; I2137-S2141 PolarHBondContact O-OG 3.31Å; I2137-S2141 VanDerWaalsContact O-OG 3.14Å; A2138-S2141 WeakPolarHBondContact CA-OG 3.39Å; A2138-S2141 PolarHBondContact O-N 2.9Å; A2138-S2141 PolarHBondContact O-OG 3.45Å; S2141-I2143 PolarHBondContact O-N 3.19Å; S2141-A2144 PolarHBondContact O-N 3.49Å; S2141-E2145 WeakPolarHBondContact O-CB 3.21Å; S2141-E2145 PolarHBondContact O-N 2.94Å |
| 2142 | E | 88.4 | Confident | 82.9 | Confident | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | -179.9 | -166.3 | -180 | 176.2 | 0 | 0 | 112 | A2138 I2139 E2145 L2146 L2165 | A2138-E2142 PolarHBondContact O-N 2.81Å; I2139-E2142 PolarHBondContact O-N 3.1Å; E2142-E2145 PolarHBondContact O-N 3.34Å; E2142-L2146 HydrophobicContact CG-CD1 4.19Å; E2142-L2146 WeakPolarHBondContact O-CB 3.46Å; E2142-L2146 WeakPolarHBondContact O-CG 3.3Å; E2142-L2146 PolarHBondContact O-N 3.34Å; E2142-L2165 HydrophobicContact CB-CD1 4.49Å; E2142-L2165 HydrophobicContact CG-CD1 3.81Å; E2142-L2165 HydrophobicContact CG-CD2 4.49Å; E2142-L2165 WeakPolarHBondContact OE2-CD2 3.07Å |
| 2143 | I | 93.7 | Very high | 82.8 | Confident | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.087 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 172.3 | -70.9 | 165.8 | 0 | 0 | 0 | 110.9 | I2139 S2141 E2145 L2146 E2147 L2162 L2165 R2166 L2169 | I2139-I2143 HydrophobicContact CG2-CD1 3.83Å; I2139-I2143 HydrophobicContact CG2-CG1 4.27Å; I2139-I2143 WeakPolarHBondContact O-CB 3.25Å; I2139-I2143 VanDerWaalsContact O-CG1 3.28Å; I2139-I2143 WeakPolarHBondContact O-CG1 3.26Å; I2139-I2143 PolarHBondContact O-N 2.77Å; S2141-I2143 PolarHBondContact O-N 3.19Å; I2143-E2145 VanDerWaalsContact C-N 3.33Å; I2143-E2145 PolarHBondContact O-N 3.01Å; I2143-L2146 PolarHBondContact O-N 2.91Å; I2143-E2147 HydrophobicContact CG2-CG 4.36Å; I2143-E2147 WeakPolarHBondContact O-CB 3.47Å; I2143-E2147 WeakPolarHBondContact O-CG 3.47Å; I2143-E2147 PolarHBondContact O-N 2.88Å; I2143-L2162 HydrophobicContact CB-CD2 4.38Å; I2143-L2162 HydrophobicContact CG1-CD2 4.49Å; I2143-L2162 HydrophobicContact CG2-CD2 4.05Å; I2143-L2165 HydrophobicContact CD1-CB 4.08Å; I2143-L2165 HydrophobicContact CG1-CB 3.68Å; I2143-L2165 HydrophobicContact CG1-CD1 4.47Å; I2143-R2166 HydrophobicContact CD1-CG 3.95Å; I2143-L2169 HydrophobicContact CD1-CB 4.15Å; I2143-L2169 HydrophobicContact CD1-CD2 3.82Å |
| 2144 | A | 88.5 | Confident | 81.7 | Confident | 59 Ų | 59 | 76.5 Ų | 76.5 | 49% | 0.488 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q2140 S2141 A2148 | Q2140-A2144 WeakPolarHBondContact O-CB 3.18Å; Q2140-A2144 PolarHBondContact O-N 3.08Å; Q2140-A2144 VanDerWaalsContact O-N 3.1Å; S2141-A2144 PolarHBondContact O-N 3.49Å; A2144-A2148 WeakPolarHBondContact O-CB 3.38Å; A2144-A2148 PolarHBondContact O-N 2.89Å |
| 2145 | E | 87.2 | Confident | 81.2 | Confident | 129 Ų | 129 | 84.3 Ų | 84.3 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -72.8 | -41.6 | 178.1 | -170.1 | 164.8 | -149 | 0 | 0 | 112 | S2141 E2142 I2143 A2148 Q2149 | S2141-E2145 WeakPolarHBondContact O-CB 3.21Å; S2141-E2145 PolarHBondContact O-N 2.94Å; E2142-E2145 PolarHBondContact O-N 3.34Å; I2143-E2145 VanDerWaalsContact C-N 3.33Å; I2143-E2145 PolarHBondContact O-N 3.01Å; E2145-A2148 WeakPolarHBondContact O-CB 3.47Å; E2145-A2148 PolarHBondContact O-N 2.66Å; E2145-Q2149 WeakPolarHBondContact O-CG 3.43Å; E2145-Q2149 PolarHBondContact O-N 2.85Å |
| 2146 | L | 88.5 | Confident | 80.7 | Confident | 24 Ų | 24 | 82.5 Ų | 82.5 | 13% | 0.126 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 175 | -70.4 | 169.3 | 0 | 0 | 0 | 112.7 | E2142 I2143 A2148 Q2149 Q2150 L2158 T2161 L2162 L2165 | E2142-L2146 HydrophobicContact CG-CD1 4.19Å; E2142-L2146 WeakPolarHBondContact O-CB 3.46Å; E2142-L2146 WeakPolarHBondContact O-CG 3.3Å; E2142-L2146 PolarHBondContact O-N 3.34Å; I2143-L2146 PolarHBondContact O-N 2.91Å; L2146-A2148 VanDerWaalsContact C-N 3.31Å; L2146-Q2149 PolarHBondContact O-N 3.14Å; L2146-Q2150 WeakPolarHBondContact O-CB 3.39Å; L2146-Q2150 PolarHBondContact O-N 2.81Å; L2146-L2158 HydrophobicContact CB-CD1 4.37Å; L2146-L2158 HydrophobicContact CD2-CD1 3.96Å; L2146-L2158 HydrophobicContact CD2-CD2 4.24Å; L2146-L2158 WeakPolarHBondContact O-CD1 3.5Å; L2146-T2161 HydrophobicContact CD1-CG2 3.98Å; L2146-L2162 HydrophobicContact CB-CD2 3.73Å; L2146-L2162 HydrophobicContact CB-CG 4.18Å; L2146-L2165 HydrophobicContact CD1-CD1 3.37Å |
| 2147 | E | 88.4 | Confident | 80.1 | Confident | 48 Ų | 48 | 87.3 Ų | 87.3 | 22% | 0.224 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.6 | -33 | 169.7 | -76.4 | -169.6 | -163.6 | 0 | 0 | 112 | I2143 R2151 L2162 R2166 | I2143-E2147 HydrophobicContact CG2-CG 4.36Å; I2143-E2147 WeakPolarHBondContact O-CB 3.47Å; I2143-E2147 WeakPolarHBondContact O-CG 3.47Å; I2143-E2147 PolarHBondContact O-N 2.88Å; E2147-R2151 WeakPolarHBondContact O-CD 3.36Å; E2147-R2151 WeakPolarHBondContact O-CG 3.24Å; E2147-R2151 PolarHBondContact O-N 3Å; E2147-R2151 VanDerWaalsContact O-N 3.15Å; E2147-R2151 PolarHBondContact O-NE 3.2Å; E2147-R2151 IonicContact OE2-CZ 3.89Å; E2147-R2151 IonicContact OE2-NH2 2.74Å; E2147-R2151 PolarHBondContact OE2-NH2 3.31Å; E2147-L2162 HydrophobicContact CG-CD1 3.89Å; E2147-L2162 HydrophobicContact CG-CD2 3.78Å; E2147-R2166 IonicContact OE1-CZ 2.8Å; E2147-R2166 IonicContact OE1-NE 2.73Å; E2147-R2166 IonicContact OE1-NH2 3.66Å; E2147-R2166 PolarHBondContact OE1-NH2 2.78Å |
| 2148 | A | 86.7 | Confident | 80 | Confident | 46 Ų | 46 | 82.7 Ų | 82.7 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A2144 E2145 L2146 R2151 V2152 | A2144-A2148 WeakPolarHBondContact O-CB 3.38Å; A2144-A2148 PolarHBondContact O-N 2.89Å; E2145-A2148 WeakPolarHBondContact O-CB 3.47Å; E2145-A2148 PolarHBondContact O-N 2.66Å; L2146-A2148 VanDerWaalsContact C-N 3.31Å; A2148-R2151 PolarHBondContact O-N 2.99Å; A2148-V2152 WeakPolarHBondContact O-CG2 3.29Å; A2148-V2152 PolarHBondContact O-N 3.2Å |
| 2149 | Q | 80.3 | Confident | 79.6 | Confident | 89 Ų | 89 | 82.4 Ų | 82.4 | 42% | 0.416 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.3 | -70.9 | 173.2 | 22.5 | 0 | 0 | 111.9 | E2145 L2146 R2151 V2152 D2153 L2158 | E2145-Q2149 WeakPolarHBondContact O-CG 3.43Å; E2145-Q2149 PolarHBondContact O-N 2.85Å; L2146-Q2149 PolarHBondContact O-N 3.14Å; Q2149-R2151 PolarHBondContact O-N 2.89Å; Q2149-V2152 PolarHBondContact O-N 3.09Å; Q2149-D2153 PolarHBondContact O-N 3.01Å; Q2149-L2158 HydrophobicContact CB-CD1 4.01Å |
| 2150 | Q | 79.7 | Confident | 78.7 | Confident | 58 Ų | 58 | 86 Ų | 86 | 27% | 0.271 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.6 | -21.2 | 176.9 | -165.1 | 169.8 | 39.9 | 0 | 0 | 113.6 | L2146 L2156 L2158 S2159 L2162 | L2146-Q2150 WeakPolarHBondContact O-CB 3.39Å; L2146-Q2150 PolarHBondContact O-N 2.81Å; Q2150-L2156 PolarHBondContact NE2-O 3Å; Q2150-L2158 HydrophobicContact CB-CD1 4.25Å; Q2150-S2159 PolarHBondContact NE2-OG 2.93Å; Q2150-L2162 VanDerWaalsContact OE1-CD1 3.3Å |
| 2151 | R | 75 | Confident | 78.2 | Confident | 184 Ų | 184 | 84.8 Ų | 84.8 | 69% | 0.694 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -83.9 | -21.7 | 171.4 | -69.1 | 167.6 | -152.8 | 173.9 | 7 | 113.2 | E2147 A2148 Q2149 | E2147-R2151 WeakPolarHBondContact O-CD 3.36Å; E2147-R2151 WeakPolarHBondContact O-CG 3.24Å; E2147-R2151 PolarHBondContact O-N 3Å; E2147-R2151 VanDerWaalsContact O-N 3.15Å; E2147-R2151 PolarHBondContact O-NE 3.2Å; E2147-R2151 IonicContact OE2-CZ 3.89Å; E2147-R2151 IonicContact OE2-NH2 2.74Å; E2147-R2151 PolarHBondContact OE2-NH2 3.31Å; A2148-R2151 PolarHBondContact O-N 2.99Å; Q2149-R2151 PolarHBondContact O-N 2.89Å |
| 2152 | V | 76.9 | Confident | 78.3 | Confident | 132 Ų | 132 | 81.5 Ų | 81.5 | 80% | 0.8 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -89 | -40 | 179.2 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | A2148 Q2149 | A2148-V2152 WeakPolarHBondContact O-CG2 3.29Å; A2148-V2152 PolarHBondContact O-N 3.2Å; Q2149-V2152 PolarHBondContact O-N 3.09Å |
| 2153 | D | 70.8 | Confident | 77.9 | Confident | 69 Ų | 69 | 81.3 Ų | 81.3 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | trans | -123.1 | 106.2 | 170.4 | -171.9 | -8 | 0 | 0 | 0 | 111 | Q2149 R2155 L2156 | Q2149-D2153 PolarHBondContact O-N 3.01Å; D2153-R2155 PolarHBondContact O-N 2.7Å; D2153-R2155 VanDerWaalsContact OD1-CB 3.29Å; D2153-R2155 WeakPolarHBondContact OD1-CB 3.2Å; D2153-R2155 PolarHBondContact OD1-N 2.77Å; D2153-L2156 HydrophobicContact CB-CD1 4.25Å; D2153-L2156 PolarHBondContact O-N 3.28Å | ||
| 2154 | S | 51 | Low | 77.3 | Confident | 118 Ų | 118 | 90.2 Ų | 90.2 | 83% | 0.825 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 0 | 179.7 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2155 | R | 61.2 | Low | 77.2 | Confident | 228 Ų | 228 | 88.4 Ų | 88.4 | 86% | 0.86 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -14.3 | 173.3 | -61.4 | 175.3 | 170.4 | 168.8 | -2.7 | 113.2 | D2153 D2157 | D2153-R2155 PolarHBondContact O-N 2.7Å; D2153-R2155 VanDerWaalsContact OD1-CB 3.29Å; D2153-R2155 WeakPolarHBondContact OD1-CB 3.2Å; D2153-R2155 PolarHBondContact OD1-N 2.77Å; R2155-D2157 PolarHBondContact O-N 3.02Å |
| 2156 | L | 61.9 | Low | 77.3 | Confident | 82 Ų | 82 | 86.9 Ų | 86.9 | 43% | 0.429 | 44% | 0.437 | S | S | . | . | trans | -85.4 | 98.5 | 179 | -96.9 | 157.8 | 0 | 0 | 0 | 111.1 | Q2150 D2153 L2158 | Q2150-L2156 PolarHBondContact NE2-O 3Å; D2153-L2156 HydrophobicContact CB-CD1 4.25Å; D2153-L2156 PolarHBondContact O-N 3.28Å; L2156-L2158 VanDerWaalsContact C-N 3.28Å; L2156-L2158 HydrophobicContact CB-CG 4.4Å; L2156-L2158 HydrophobicContact CD2-CD2 4.48Å; L2156-L2158 PolarHBondContact O-N 2.96Å | ||
| 2157 | D | 74.4 | Confident | 76.6 | Confident | 118 Ų | 118 | 90.8 Ų | 90.8 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | trans | -75.5 | 79 | 173.1 | -172.8 | 16.6 | 0 | 0 | 0 | 112.1 | R2155 S2159 | R2155-D2157 PolarHBondContact O-N 3.02Å; D2157-S2159 PolarHBondContact O-N 3.1Å; D2157-S2159 WeakPolarHBondContact OD1-CB 3.3Å; D2157-S2159 PolarHBondContact OD1-N 3.34Å; D2157-S2159 VanDerWaalsContact OD1-N 3.13Å; D2157-S2159 PolarHBondContact OD1-OG 3.3Å | ||
| 2158 | L | 81.2 | Confident | 76.4 | Confident | 22 Ų | 22 | 91.7 Ų | 91.7 | 12% | 0.115 | 47% | 0.466 | C | S | . | . | trans | -78.9 | 3.3 | 174.2 | -67.5 | 172.3 | 0 | 0 | 0 | 113.1 | L2146 Q2149 Q2150 L2156 S2160 T2161 L2162 | L2146-L2158 HydrophobicContact CB-CD1 4.37Å; L2146-L2158 HydrophobicContact CD2-CD1 3.96Å; L2146-L2158 HydrophobicContact CD2-CD2 4.24Å; L2146-L2158 WeakPolarHBondContact O-CD1 3.5Å; Q2149-L2158 HydrophobicContact CB-CD1 4.01Å; Q2150-L2158 HydrophobicContact CB-CD1 4.25Å; L2156-L2158 VanDerWaalsContact C-N 3.28Å; L2156-L2158 HydrophobicContact CB-CG 4.4Å; L2156-L2158 HydrophobicContact CD2-CD2 4.48Å; L2156-L2158 PolarHBondContact O-N 2.96Å; L2158-S2160 VanDerWaalsContact C-N 3.34Å; L2158-S2160 PolarHBondContact O-N 2.92Å; L2158-T2161 WeakPolarHBondContact O-CB 3.23Å; L2158-T2161 PolarHBondContact O-N 3.07Å; L2158-L2162 HydrophobicContact CB-CD1 4.24Å; L2158-L2162 PolarHBondContact O-N 3.28Å | ||
| 2159 | S | 77.5 | Confident | 76.6 | Confident | 47 Ų | 47 | 90.6 Ų | 90.6 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | -168.3 | -49.3 | 0 | 0 | 0 | 0 | 113.2 | Q2150 D2157 T2161 L2162 D2163 | Q2150-S2159 PolarHBondContact NE2-OG 2.93Å; D2157-S2159 PolarHBondContact O-N 3.1Å; D2157-S2159 WeakPolarHBondContact OD1-CB 3.3Å; D2157-S2159 PolarHBondContact OD1-N 3.34Å; D2157-S2159 VanDerWaalsContact OD1-N 3.13Å; D2157-S2159 PolarHBondContact OD1-OG 3.3Å; S2159-T2161 VanDerWaalsContact C-N 3.34Å; S2159-T2161 PolarHBondContact O-N 2.95Å; S2159-L2162 PolarHBondContact O-N 3.35Å; S2159-D2163 WeakPolarHBondContact O-CB 3.5Å; S2159-D2163 PolarHBondContact O-N 3.23Å |
| 2160 | S | 65.7 | Low | 76.4 | Confident | 89 Ų | 89 | 91.2 Ų | 91.2 | 62% | 0.622 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.6 | -33.6 | 176.9 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | L2158 R2164 | L2158-S2160 VanDerWaalsContact C-N 3.34Å; L2158-S2160 PolarHBondContact O-N 2.92Å; S2160-R2164 WeakPolarHBondContact O-CB 3.2Å; S2160-R2164 PolarHBondContact O-N 3.22Å |
| 2161 | T | 78.9 | Confident | 76.3 | Confident | 61 Ų | 61 | 94 Ų | 94 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -75.6 | -44.3 | 177.2 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | L2146 L2158 S2159 R2164 L2165 | L2146-T2161 HydrophobicContact CD1-CG2 3.98Å; L2158-T2161 WeakPolarHBondContact O-CB 3.23Å; L2158-T2161 PolarHBondContact O-N 3.07Å; S2159-T2161 VanDerWaalsContact C-N 3.34Å; S2159-T2161 PolarHBondContact O-N 2.95Å; T2161-R2164 PolarHBondContact O-N 3.31Å; T2161-L2165 HydrophobicContact CG2-CD1 4.17Å; T2161-L2165 WeakPolarHBondContact O-CG 3.34Å; T2161-L2165 PolarHBondContact O-N 3.49Å |
| 2162 | L | 89.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 175.8 | -80.1 | 169.2 | 0 | 0 | 0 | 112.3 | I2143 L2146 E2147 Q2150 L2158 S2159 L2165 R2166 | I2143-L2162 HydrophobicContact CB-CD2 4.38Å; I2143-L2162 HydrophobicContact CG1-CD2 4.49Å; I2143-L2162 HydrophobicContact CG2-CD2 4.05Å; L2146-L2162 HydrophobicContact CB-CD2 3.73Å; L2146-L2162 HydrophobicContact CB-CG 4.18Å; E2147-L2162 HydrophobicContact CG-CD1 3.89Å; E2147-L2162 HydrophobicContact CG-CD2 3.78Å; Q2150-L2162 VanDerWaalsContact OE1-CD1 3.3Å; L2158-L2162 HydrophobicContact CB-CD1 4.24Å; L2158-L2162 PolarHBondContact O-N 3.28Å; S2159-L2162 PolarHBondContact O-N 3.35Å; L2162-L2165 PolarHBondContact O-N 2.9Å; L2162-R2166 WeakPolarHBondContact O-CB 3.45Å; L2162-R2166 WeakPolarHBondContact O-CD 3.41Å; L2162-R2166 WeakPolarHBondContact O-CG 3.38Å; L2162-R2166 PolarHBondContact O-N 2.81Å |
| 2163 | D | 78.9 | Confident | 76.9 | Confident | 88 Ų | 88 | 83.3 Ų | 83.3 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 176.5 | -79.5 | -1.7 | 0 | 0 | 0 | 112 | S2159 R2166 V2167 | S2159-D2163 WeakPolarHBondContact O-CB 3.5Å; S2159-D2163 PolarHBondContact O-N 3.23Å; D2163-R2166 PolarHBondContact O-N 3.15Å; D2163-R2166 IonicContact OD1-CZ 3.99Å; D2163-R2166 IonicContact OD1-NH1 3.67Å; D2163-R2166 PolarHBondContact OD1-NH1 2.83Å; D2163-V2167 WeakPolarHBondContact O-CG2 3.38Å; D2163-V2167 PolarHBondContact O-N 3.04Å |
| 2164 | R | 81.9 | Confident | 76.7 | Confident | 203 Ų | 203 | 87.6 Ų | 87.6 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.9 | -45.1 | 172.4 | -174.7 | -179.5 | 179.7 | -167.3 | -0.5 | 112 | S2160 T2161 V2167 E2168 | S2160-R2164 WeakPolarHBondContact O-CB 3.2Å; S2160-R2164 PolarHBondContact O-N 3.22Å; T2161-R2164 PolarHBondContact O-N 3.31Å; R2164-V2167 PolarHBondContact O-N 2.67Å; R2164-E2168 PolarHBondContact O-N 3.19Å |
| 2165 | L | 86.4 | Confident | 77.6 | Confident | 21 Ų | 21 | 84.7 Ų | 84.7 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 177.7 | -71.8 | 169.5 | 0 | 0 | 0 | 112.3 | I2139 E2142 I2143 L2146 T2161 L2162 V2167 E2168 L2169 | I2139-L2165 HydrophobicContact CG2-CB 4.2Å; I2139-L2165 HydrophobicContact CG2-CD2 4.25Å; I2139-L2165 WeakPolarHBondContact CG2-O 3.35Å; E2142-L2165 HydrophobicContact CB-CD1 4.49Å; E2142-L2165 HydrophobicContact CG-CD1 3.81Å; E2142-L2165 HydrophobicContact CG-CD2 4.49Å; E2142-L2165 WeakPolarHBondContact OE2-CD2 3.07Å; I2143-L2165 HydrophobicContact CD1-CB 4.08Å; I2143-L2165 HydrophobicContact CG1-CB 3.68Å; I2143-L2165 HydrophobicContact CG1-CD1 4.47Å; L2146-L2165 HydrophobicContact CD1-CD1 3.37Å; T2161-L2165 HydrophobicContact CG2-CD1 4.17Å; T2161-L2165 WeakPolarHBondContact O-CG 3.34Å; T2161-L2165 PolarHBondContact O-N 3.49Å; L2162-L2165 PolarHBondContact O-N 2.9Å; L2165-V2167 VanDerWaalsContact C-N 3.32Å; L2165-V2167 PolarHBondContact O-N 2.95Å; L2165-E2168 PolarHBondContact O-N 3.38Å; L2165-L2169 WeakPolarHBondContact O-CB 3.46Å; L2165-L2169 PolarHBondContact O-N 3.48Å |
| 2166 | R | 88.7 | Confident | 78.2 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 173.8 | -72.7 | 163.8 | -176.7 | 152.8 | -0.7 | 111.9 | I2143 E2147 L2162 D2163 Q2170 | I2143-R2166 HydrophobicContact CD1-CG 3.95Å; E2147-R2166 IonicContact OE1-CZ 2.8Å; E2147-R2166 IonicContact OE1-NE 2.73Å; E2147-R2166 IonicContact OE1-NH2 3.66Å; E2147-R2166 PolarHBondContact OE1-NH2 2.78Å; L2162-R2166 WeakPolarHBondContact O-CB 3.45Å; L2162-R2166 WeakPolarHBondContact O-CD 3.41Å; L2162-R2166 WeakPolarHBondContact O-CG 3.38Å; L2162-R2166 PolarHBondContact O-N 2.81Å; D2163-R2166 PolarHBondContact O-N 3.15Å; D2163-R2166 IonicContact OD1-CZ 3.99Å; D2163-R2166 IonicContact OD1-NH1 3.67Å; D2163-R2166 PolarHBondContact OD1-NH1 2.83Å; R2166-Q2170 PolarHBondContact O-N 2.9Å |
| 2167 | V | 74.8 | Confident | 78.2 | Confident | 106 Ų | 106 | 76.3 Ų | 76.3 | 64% | 0.642 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.8 | -46.9 | 173.1 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | D2163 R2164 L2165 L2169 Q2170 F2171 | D2163-V2167 WeakPolarHBondContact O-CG2 3.38Å; D2163-V2167 PolarHBondContact O-N 3.04Å; R2164-V2167 PolarHBondContact O-N 2.67Å; L2165-V2167 VanDerWaalsContact C-N 3.32Å; L2165-V2167 PolarHBondContact O-N 2.95Å; V2167-L2169 VanDerWaalsContact C-N 3.29Å; V2167-L2169 PolarHBondContact O-N 3.16Å; V2167-Q2170 WeakPolarHBondContact O-CB 3.37Å; V2167-Q2170 PolarHBondContact O-N 2.84Å; V2167-Q2170 VanDerWaalsContact O-N 3.16Å; V2167-F2171 PolarHBondContact O-N 2.99Å |
| 2168 | E | 83.5 | Confident | 77.2 | Confident | 68 Ų | 68 | 79.6 Ų | 79.6 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 175.1 | -175.8 | 64.1 | -158.2 | 0 | 0 | 111.2 | I2139 R2164 L2165 Q2170 F2171 Q2172 | I2139-E2168 HydrophobicContact CD1-CB 4.44Å; I2139-E2168 HydrophobicContact CD1-CG 3.68Å; R2164-E2168 PolarHBondContact O-N 3.19Å; L2165-E2168 PolarHBondContact O-N 3.38Å; E2168-Q2170 PolarHBondContact O-N 3.48Å; E2168-F2171 WeakPolarHBondContact O-CB 3.47Å; E2168-F2171 PolarHBondContact O-N 3.4Å; E2168-Q2172 HydrophobicContact CG-CG 4.24Å; E2168-Q2172 WeakPolarHBondContact O-CB 3.42Å; E2168-Q2172 VanDerWaalsContact O-CG 3.3Å; E2168-Q2172 WeakPolarHBondContact O-CG 3.31Å; E2168-Q2172 PolarHBondContact O-N 3.35Å; E2168-Q2172 WeakPolarHBondContact OE1-CG 3.48Å; E2168-Q2172 PolarHBondContact OE1-NE2 2.92Å |
| 2169 | L | 89.7 | Confident | 76.2 | Confident | 22 Ų | 22 | 81.3 Ų | 81.3 | 12% | 0.115 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 173.7 | -178.6 | 59.4 | 0 | 0 | 0 | 112.1 | V2136 I2139 Q2140 I2143 L2165 V2167 F2171 K2173 | V2136-L2169 HydrophobicContact CB-CD1 4.33Å; V2136-L2169 HydrophobicContact CG1-CD1 4Å; V2136-L2169 HydrophobicContact CG2-CD1 4.48Å; V2136-L2169 WeakPolarHBondContact O-CD1 3.23Å; I2139-L2169 HydrophobicContact CB-CD1 4.3Å; I2139-L2169 HydrophobicContact CG2-CB 3.8Å; I2139-L2169 HydrophobicContact CG2-CD1 4.41Å; Q2140-L2169 HydrophobicContact CG-CD1 3.72Å; Q2140-L2169 HydrophobicContact CG-CD2 3.56Å; Q2140-L2169 HydrophobicContact CG-CG 4.3Å; I2143-L2169 HydrophobicContact CD1-CB 4.15Å; I2143-L2169 HydrophobicContact CD1-CD2 3.82Å; L2165-L2169 WeakPolarHBondContact O-CB 3.46Å; L2165-L2169 PolarHBondContact O-N 3.48Å; V2167-L2169 VanDerWaalsContact C-N 3.29Å; V2167-L2169 PolarHBondContact O-N 3.16Å; L2169-F2171 VanDerWaalsContact C-N 3.32Å; L2169-K2173 HydrophobicContact CD1-CD 4.28Å; L2169-K2173 HydrophobicContact CD1-CG 4.14Å; L2169-K2173 HydrophobicContact CG-CD 4.26Å; L2169-K2173 HydrophobicContact CG-CG 4.46Å; L2169-K2173 VanDerWaalsContact O-CB 3.29Å; L2169-K2173 WeakPolarHBondContact O-CB 3.45Å; L2169-K2173 WeakPolarHBondContact O-CG 3.49Å; L2169-K2173 PolarHBondContact O-N 3.22Å |
| 2170 | Q | 77.7 | Confident | 74.9 | Confident | 103 Ų | 103 | 81.9 Ų | 81.9 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 174 | -108.7 | -79.9 | -22.7 | 0 | 0 | 111.3 | R2166 V2167 E2168 R2174 | R2166-Q2170 PolarHBondContact O-N 2.9Å; V2167-Q2170 WeakPolarHBondContact O-CB 3.37Å; V2167-Q2170 PolarHBondContact O-N 2.84Å; V2167-Q2170 VanDerWaalsContact O-N 3.16Å; E2168-Q2170 PolarHBondContact O-N 3.48Å; Q2170-R2174 WeakPolarHBondContact O-CG 3.32Å; Q2170-R2174 PolarHBondContact O-N 3.03Å |
| 2171 | F | 76.2 | Confident | 73.8 | Confident | 116 Ų | 116 | 82.8 Ų | 82.8 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -49.7 | 176.9 | -177.4 | -112.4 | 0 | 0 | 0 | 112.1 | V2167 E2168 L2169 K2173 R2174 L2175 | V2167-F2171 PolarHBondContact O-N 2.99Å; E2168-F2171 WeakPolarHBondContact O-CB 3.47Å; E2168-F2171 PolarHBondContact O-N 3.4Å; L2169-F2171 VanDerWaalsContact C-N 3.32Å; F2171-K2173 VanDerWaalsContact C-N 3.32Å; F2171-K2173 PolarHBondContact O-N 2.88Å; F2171-R2174 PolarHBondContact O-N 3.06Å; F2171-L2175 HydrophobicContact CD1-CD1 3.89Å; F2171-L2175 HydrophobicContact CE1-CD1 3.51Å; F2171-L2175 HydrophobicContact CZ-CD1 3.85Å; F2171-L2175 PolarHBondContact O-N 3.08Å |
| 2172 | Q | 83.4 | Confident | 71.7 | Confident | 11 Ų | 11 | 83.2 Ų | 83.2 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.3 | -31.2 | 178.6 | -64.4 | -63.5 | -21.1 | 0 | 0 | 112.3 | R2135 V2136 I2139 E2168 L2175 A2176 | R2135-Q2172 HydrophobicContact CB-CB 4.3Å; R2135-Q2172 HydrophobicContact CB-CG 3.96Å; R2135-Q2172 VanDerWaalsContact CD-CD 3.45Å; V2136-Q2172 HydrophobicContact CG2-CB 3.81Å; V2136-Q2172 VanDerWaalsContact CG2-O 3.31Å; V2136-Q2172 WeakPolarHBondContact CG2-O 3.2Å; I2139-Q2172 HydrophobicContact CD1-CB 4.25Å; I2139-Q2172 HydrophobicContact CD1-CG 3.73Å; E2168-Q2172 HydrophobicContact CG-CG 4.24Å; E2168-Q2172 WeakPolarHBondContact O-CB 3.42Å; E2168-Q2172 VanDerWaalsContact O-CG 3.3Å; E2168-Q2172 WeakPolarHBondContact O-CG 3.31Å; E2168-Q2172 PolarHBondContact O-N 3.35Å; E2168-Q2172 WeakPolarHBondContact OE1-CG 3.48Å; E2168-Q2172 PolarHBondContact OE1-NE2 2.92Å; Q2172-L2175 PolarHBondContact O-N 3.08Å; Q2172-A2176 WeakPolarHBondContact O-CB 3.24Å; Q2172-A2176 PolarHBondContact O-N 2.89Å |
| 2173 | K | 82.7 | Confident | 69 | Low | 80 Ų | 80 | 92.9 Ų | 92.9 | 35% | 0.348 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 172.4 | -81.3 | -174.9 | 175 | -178 | 0 | 112.1 | V2136 L2169 F2171 L2175 A2176 E2177 | V2136-K2173 HydrophobicContact CB-CG 4.4Å; V2136-K2173 HydrophobicContact CG1-CD 4.38Å; V2136-K2173 HydrophobicContact CG1-CG 3.74Å; V2136-K2173 HydrophobicContact CG2-CB 4.33Å; V2136-K2173 HydrophobicContact CG2-CG 3.69Å; L2169-K2173 HydrophobicContact CD1-CD 4.28Å; L2169-K2173 HydrophobicContact CD1-CG 4.14Å; L2169-K2173 HydrophobicContact CG-CD 4.26Å; L2169-K2173 HydrophobicContact CG-CG 4.46Å; L2169-K2173 VanDerWaalsContact O-CB 3.29Å; L2169-K2173 WeakPolarHBondContact O-CB 3.45Å; L2169-K2173 WeakPolarHBondContact O-CG 3.49Å; L2169-K2173 PolarHBondContact O-N 3.22Å; F2171-K2173 VanDerWaalsContact C-N 3.32Å; F2171-K2173 PolarHBondContact O-N 2.88Å; K2173-L2175 VanDerWaalsContact C-N 3.29Å; K2173-L2175 PolarHBondContact O-N 3.26Å; K2173-A2176 PolarHBondContact O-N 3.49Å; K2173-E2177 WeakPolarHBondContact O-CB 3.32Å; K2173-E2177 WeakPolarHBondContact O-CG 3.47Å; K2173-E2177 PolarHBondContact O-N 3.47Å |
| 2174 | R | 66.1 | Low | 66.6 | Low | 159 Ų | 159 | 94 Ų | 94 | 60% | 0.6 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65 | -32.1 | 174.9 | -65.4 | -175.2 | -138.1 | 177.8 | 4 | 112.7 | Q2170 F2171 R2178 | Q2170-R2174 WeakPolarHBondContact O-CG 3.32Å; Q2170-R2174 PolarHBondContact O-N 3.03Å; F2171-R2174 PolarHBondContact O-N 3.06Å; R2174-R2178 WeakPolarHBondContact O-CG 3.18Å; R2174-R2178 PolarHBondContact O-N 3.32Å; R2174-R2178 VanDerWaalsContact O-N 3.07Å |
| 2175 | L | 69 | Low | 64 | Low | 58 Ų | 58 | 89.4 Ų | 89.4 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.4 | -43.8 | 170.7 | -77.7 | 168.1 | 0 | 0 | 0 | 111.8 | A2132 F2171 Q2172 K2173 E2177 R2178 E2179 | A2132-L2175 HydrophobicContact CB-CB 3.46Å; A2132-L2175 VanDerWaalsContact CB-CB 3.46Å; F2171-L2175 HydrophobicContact CD1-CD1 3.89Å; F2171-L2175 HydrophobicContact CE1-CD1 3.51Å; F2171-L2175 HydrophobicContact CZ-CD1 3.85Å; F2171-L2175 PolarHBondContact O-N 3.08Å; Q2172-L2175 PolarHBondContact O-N 3.08Å; K2173-L2175 VanDerWaalsContact C-N 3.29Å; K2173-L2175 PolarHBondContact O-N 3.26Å; L2175-E2177 PolarHBondContact O-N 3.18Å; L2175-R2178 CarbonylContact O-C 3.45Å; L2175-R2178 WeakPolarHBondContact O-CB 3.43Å; L2175-R2178 PolarHBondContact O-N 3.04Å; L2175-R2178 VanDerWaalsContact O-N 3.15Å; L2175-E2179 PolarHBondContact O-N 3.29Å |
| 2176 | A | 73.6 | Confident | 61 | Low | 19 Ų | 19 | 93.6 Ų | 93.6 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2132 A2133 V2136 Q2172 K2173 R2178 E2179 S2180 | A2132-A2176 HydrophobicContact CB-CB 4.19Å; A2133-A2176 HydrophobicContact CB-CB 4.24Å; V2136-A2176 HydrophobicContact CG2-CB 3.97Å; Q2172-A2176 WeakPolarHBondContact O-CB 3.24Å; Q2172-A2176 PolarHBondContact O-N 2.89Å; K2173-A2176 PolarHBondContact O-N 3.49Å; A2176-R2178 VanDerWaalsContact C-N 3.34Å; A2176-E2179 PolarHBondContact O-N 2.93Å; A2176-S2180 PolarHBondContact O-N 2.67Å; A2176-S2180 PolarHBondContact O-OG 3.25Å |
| 2177 | E | 62.1 | Low | 57.9 | Low | 115 Ų | 115 | 94.6 Ų | 94.6 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.9 | -32.9 | 172.2 | -74.2 | 176.6 | 157.9 | 0 | 0 | 112.3 | K2173 L2175 S2180 N2181 | K2173-E2177 WeakPolarHBondContact O-CB 3.32Å; K2173-E2177 WeakPolarHBondContact O-CG 3.47Å; K2173-E2177 PolarHBondContact O-N 3.47Å; L2175-E2177 PolarHBondContact O-N 3.18Å; E2177-S2180 WeakPolarHBondContact CA-OG 3.46Å; E2177-S2180 PolarHBondContact O-OG 2.94Å; E2177-S2180 VanDerWaalsContact O-OG 3.09Å; E2177-N2181 WeakPolarHBondContact O-CB 3.42Å; E2177-N2181 PolarHBondContact O-N 3.36Å; E2177-N2181 PolarHBondContact O-ND2 2.79Å |
| 2178 | R | 53.8 | Low | 55.6 | Low | 187 Ų | 187 | 97 Ų | 97 | 71% | 0.706 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.1 | -44.7 | 169.1 | -80.3 | -180 | 169.3 | 173.7 | -2.6 | 111.4 | R2174 L2175 A2176 S2180 N2181 C2182 | R2174-R2178 WeakPolarHBondContact O-CG 3.18Å; R2174-R2178 PolarHBondContact O-N 3.32Å; R2174-R2178 VanDerWaalsContact O-N 3.07Å; L2175-R2178 CarbonylContact O-C 3.45Å; L2175-R2178 WeakPolarHBondContact O-CB 3.43Å; L2175-R2178 PolarHBondContact O-N 3.04Å; L2175-R2178 VanDerWaalsContact O-N 3.15Å; A2176-R2178 VanDerWaalsContact C-N 3.34Å; R2178-S2180 VanDerWaalsContact C-N 3.29Å; R2178-S2180 PolarHBondContact O-N 3.01Å; R2178-N2181 PolarHBondContact O-N 3.47Å; R2178-C2182 WeakPolarHBondContact O-CB 3.34Å; R2178-C2182 PolarHBondContact O-N 3.41Å; R2178-C2182 PolarHBondContact O-SG 3.37Å; R2178-C2182 VanDerWaalsContact O-SG 3.35Å |
| 2179 | E | 60.1 | Low | 52.9 | Low | 58 Ų | 58 | 99.6 Ų | 99.6 | 27% | 0.271 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -37.8 | 174.4 | -74.4 | -179.8 | -167.1 | 0 | 0 | 112.3 | S2131 A2132 L2175 A2176 R2183 | S2131-E2179 WeakPolarHBondContact CB-OE2 3.32Å; S2131-E2179 PolarHBondContact OG-OE2 2.75Å; A2132-E2179 WeakPolarHBondContact CB-OE1 3.23Å; A2132-E2179 VanDerWaalsContact N-CD 3.35Å; A2132-E2179 PolarHBondContact N-OE1 3.08Å; A2132-E2179 PolarHBondContact N-OE2 2.7Å; A2132-E2179 VanDerWaalsContact N-OE2 3.17Å; L2175-E2179 PolarHBondContact O-N 3.29Å; A2176-E2179 PolarHBondContact O-N 2.93Å; E2179-R2183 VanDerWaalsContact O-CG 3.31Å; E2179-R2183 WeakPolarHBondContact O-CG 3.47Å; E2179-R2183 PolarHBondContact O-N 2.93Å |
| 2180 | S | 50.8 | Low | 49.7 | Very low | 58 Ų | 58 | 106.1 Ų | 106.1 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.9 | -43 | 177.1 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | A2176 E2177 R2178 C2182 R2183 T2184 | A2176-S2180 PolarHBondContact O-N 2.67Å; A2176-S2180 PolarHBondContact O-OG 3.25Å; E2177-S2180 WeakPolarHBondContact CA-OG 3.46Å; E2177-S2180 PolarHBondContact O-OG 2.94Å; E2177-S2180 VanDerWaalsContact O-OG 3.09Å; R2178-S2180 VanDerWaalsContact C-N 3.29Å; R2178-S2180 PolarHBondContact O-N 3.01Å; S2180-C2182 VanDerWaalsContact C-N 3.3Å; S2180-C2182 PolarHBondContact O-N 3.1Å; S2180-R2183 WeakPolarHBondContact O-CA 3.28Å; S2180-R2183 WeakPolarHBondContact O-CB 3.31Å; S2180-R2183 PolarHBondContact O-N 3.18Å; S2180-T2184 PolarHBondContact O-N 2.99Å; S2180-T2184 PolarHBondContact O-OG1 3.37Å |
| 2181 | N | 41.4 | Very low | 47.2 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 58% | 0.578 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.8 | -28.2 | 178.5 | -72.9 | -43 | 0 | 0 | 0 | 112.5 | E2177 R2178 R2183 T2184 | E2177-N2181 WeakPolarHBondContact O-CB 3.42Å; E2177-N2181 PolarHBondContact O-N 3.36Å; E2177-N2181 PolarHBondContact O-ND2 2.79Å; R2178-N2181 PolarHBondContact O-N 3.47Å; N2181-R2183 PolarHBondContact O-N 3.42Å; N2181-T2184 PolarHBondContact O-OG1 2.95Å |
| 2182 | C | 36 | Very low | 44.7 | Very low | 71 Ų | 71 | 105.8 Ų | 105.8 | 48% | 0.48 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -10.5 | 167.9 | -70.6 | 0 | 0 | 0 | 0 | 113.8 | I1332 R2178 S2180 | I1332-C2182 HydrophobicContact CD1-CB 3.76Å; R2178-C2182 WeakPolarHBondContact O-CB 3.34Å; R2178-C2182 PolarHBondContact O-N 3.41Å; R2178-C2182 PolarHBondContact O-SG 3.37Å; R2178-C2182 VanDerWaalsContact O-SG 3.35Å; S2180-C2182 VanDerWaalsContact C-N 3.3Å; S2180-C2182 PolarHBondContact O-N 3.1Å |
| 2183 | R | 31.6 | Very low | 41.8 | Very low | 202 Ų | 202 | 109.3 Ų | 109.3 | 76% | 0.762 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -13.9 | 175.9 | -76.9 | 175.7 | 173.4 | -168.8 | -0.8 | 114.1 | E2179 S2180 N2181 | E2179-R2183 VanDerWaalsContact O-CG 3.31Å; E2179-R2183 WeakPolarHBondContact O-CG 3.47Å; E2179-R2183 PolarHBondContact O-N 2.93Å; S2180-R2183 WeakPolarHBondContact O-CA 3.28Å; S2180-R2183 WeakPolarHBondContact O-CB 3.31Å; S2180-R2183 PolarHBondContact O-N 3.18Å; N2181-R2183 PolarHBondContact O-N 3.42Å |
| 2184 | T | 28.6 | Very low | 39 | Very low | 113 Ų | 113 | 111.7 Ų | 111.7 | 69% | 0.693 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -95.9 | 17.2 | 179 | 46.5 | 0 | 0 | 0 | 0 | 114.6 | S2180 N2181 | S2180-T2184 PolarHBondContact O-N 2.99Å; S2180-T2184 PolarHBondContact O-OG1 3.37Å; N2181-T2184 PolarHBondContact O-OG1 2.95Å |
| 2185 | S | 27.3 | Very low | 37.1 | Very low | 105 Ų | 105 | 109.6 Ų | 109.6 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -141 | 21.7 | 176.9 | -148.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 2186 | V | 25 | Very low | 34.9 | Very low | 110 Ų | 110 | 111.2 Ų | 111.2 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -138.2 | 78.2 | 168.8 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 2187 | N | 23.5 | Very low | 32.7 | Very low | 117 Ų | 117 | 117 Ų | 117 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | trans | -165.8 | 154.5 | 153.9 | -97.2 | -18.5 | 0 | 0 | 0 | 107.5 | ||||
| 2188 | N | 26.4 | Very low | 31 | Very low | 157 Ų | 157 | 117.7 Ų | 117.7 | 84% | 0.84 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 68.3 | 52.9 | -159.3 | -57.4 | -12.2 | 0 | 0 | 0 | 111.8 | ||
| 2189 | N | 26.1 | Very low | 29.8 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 65% | 0.652 | 64% | 0.64 | S | S | * | * | 87.5 | 119.2 | 61.3 | -65.7 | -8 | 0 | 0 | 0 | 113.4 | |||||
| 2190 | I | 23.3 | Very low | 28.2 | Very low | 160 Ų | 160 | 118.1 Ų | 118.1 | 82% | 0.821 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -67.1 | 134.1 | 166.7 | -77.7 | 168 | 0 | 0 | 0 | 109.9 | ||
| 2191 | S | 23.5 | Very low | 27.1 | Very low | 91 Ų | 91 | 118.4 Ų | 118.4 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | 27.1 | 141.5 | 148.4 | 79.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2192 | T | 24.5 | Very low | 26.4 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 74% | 0.736 | 66% | 0.657 | S | S | * | * | cis | -165.3 | 163.2 | 14.1 | -5.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2193 | S | 22.9 | Very low | 26 | Very low | 85 Ų | 85 | 123 Ų | 123 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | trans | -21.8 | 137.9 | 154.4 | 56.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2194 | N | 24.3 | Very low | 25.7 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | -162.1 | 142 | 67 | -98.8 | -48 | 0 | 0 | 0 | 115.6 | |||||
| 2195 | N | 24.6 | Very low | 25.5 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 61% | 0.61 | 64% | 0.641 | S | S | * | * | trans | 53.1 | 95.2 | 139.7 | -61 | -10.8 | 0 | 0 | 0 | 121.7 | ||||
| 2196 | S | 24.7 | Very low | 25.7 | Very low | 92 Ų | 92 | 116.9 Ų | 116.9 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | 59.6 | 129.7 | 116.3 | 68.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 2197 | I | 27 | Very low | 25.9 | Very low | 141 Ų | 141 | 116.8 Ų | 116.8 | 72% | 0.723 | 63% | 0.625 | S | S | * | * | -171.9 | 117.1 | 103.4 | -97.8 | 164.8 | 0 | 0 | 0 | 112.2 | |||||
| 2198 | I | 26.7 | Very low | 26 | Very low | 129 Ų | 129 | 118 Ų | 118 | 66% | 0.662 | 63% | 0.627 | S | S | * | * | trans | 62.8 | 142.2 | 134.2 | -60.4 | 179.3 | 0 | 0 | 0 | 121.9 | ||||
| 2199 | K | 28.5 | Very low | 25.9 | Very low | 139 Ų | 139 | 118.3 Ų | 118.3 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | trans | 73.5 | 150.9 | 160.8 | -81.8 | 174.6 | -179.4 | -65.3 | 0 | 119.5 | ||||
| 2200 | E | 26.2 | Very low | 25.8 | Very low | 116 Ų | 116 | 116.9 Ų | 116.9 | 54% | 0.542 | 62% | 0.62 | S | S | . | * | cis | -161.3 | 135.4 | -28.1 | -138.5 | 156.2 | -136.6 | 0 | 0 | 112.6 | ||||
| 2201 | T | 27.9 | Very low | 26 | Very low | 64 Ų | 64 | 115.9 Ų | 115.9 | 39% | 0.393 | 62% | 0.616 | S | S | . | * | trans | 64.3 | 113 | 141.8 | 47.3 | 0 | 0 | 0 | 0 | 124.5 | N1270 | N1270-T2201 PolarHBondContact O-N 2.91Š| ||
| 2202 | R | 26.7 | Very low | 26.4 | Very low | 181 Ų | 181 | 116.9 Ų | 116.9 | 68% | 0.683 | 62% | 0.619 | S | S | * | * | 78 | 123.2 | 106 | -75.1 | -174.1 | 176.2 | 164.2 | -1.3 | 124.4 | N1268 | N1268-R2202 PolarHBondContact O-N 2.9Š| |||
| 2203 | N | 26.6 | Very low | 26.5 | Very low | 94 Ų | 94 | 118.1 Ų | 118.1 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | 108.9 | 103.1 | 114.4 | -77 | 10 | 0 | 0 | 0 | 123.4 | T1267 | T1267-N2203 VanDerWaalsContact OG1-C 3.3Å; T1267-N2203 PolarHBondContact OG1-N 3.5Å; T1267-N2203 VanDerWaalsContact OG1-N 3.1Å | |||
| 2204 | Y | 25.6 | Very low | 26.6 | Very low | 148 Ų | 148 | 121.5 Ų | 121.5 | 58% | 0.58 | 63% | 0.627 | S | S | * | * | 74.8 | 125.1 | 120.5 | -77 | -60.1 | 0 | 0 | 0 | 125.5 | T1267 | T1267-Y2204 PolarHBondContact OG1-N 2.92Š| |||
| 2205 | S | 23.4 | Very low | 26.7 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 51% | 0.51 | 63% | 0.632 | S | S | . | * | 102 | 116.4 | 129.4 | -68.1 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 2206 | I | 31.6 | Very low | 26.6 | Very low | 70 Ų | 70 | 120 Ų | 120 | 36% | 0.359 | 64% | 0.635 | S | S | . | * | trans | -4.4 | 155 | 136.5 | 33.2 | 170.7 | 0 | 0 | 0 | 120.3 | H1263 Q1264 | H1263-I2206 HydrophobicContact CB-CD1 3.84Å; H1263-I2206 VanDerWaalsContact CD2-CD1 3.47Å; H1263-I2206 WeakPolarHBondContact CD2-CD1 3.23Å; H1263-I2206 WeakPolarHBondContact O-CD1 3.26Å; Q1264-I2206 HydrophobicContact CB-CD1 3.97Å; Q1264-I2206 HydrophobicContact CB-CG1 4.08Å; Q1264-I2206 HydrophobicContact CB-CG2 3.91Å; Q1264-I2206 HydrophobicContact CG-CD1 4.13Å; Q1264-I2206 HydrophobicContact CG-CG2 4.09Å | ||
| 2207 | P | 31 | Very low | 26.6 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | cis | -155.7 | 170.6 | 48.9 | 43.8 | -22.4 | 0 | 0 | 0 | 122.6 | ||||
| 2208 | E | 24.2 | Very low | 26.5 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | trans | 75.1 | 137.7 | 138.1 | -85.6 | -170.7 | 163.9 | 0 | 0 | 127.3 | ||||
| 2209 | K | 24.3 | Very low | 26.4 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | trans | 66.5 | 150.2 | 138.7 | -74.5 | 169.9 | -170.7 | 152.5 | 0 | 120.1 | ||||
| 2210 | S | 23.5 | Very low | 26.1 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 66% | 0.664 | S | S | * | * | cis | -164.3 | -172.7 | 2.2 | 45.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 2211 | N | 29.1 | Very low | 26 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | trans | 80.9 | 134.9 | 167.6 | -58.2 | -9.9 | 0 | 0 | 0 | 116.8 | ||||
| 2212 | T | 30.4 | Very low | 25.8 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | cis | -159.4 | 141.7 | -4.6 | 12.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 2213 | L | 26.8 | Very low | 25.6 | Very low | 146 Ų | 146 | 127 Ų | 127 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | 55 | 147.6 | 154.7 | -85.3 | 73.8 | 0 | 0 | 0 | 119.5 | ||||
| 2214 | E | 26 | Very low | 25.5 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | cis | -152.2 | 145.2 | 7.2 | -150.2 | 173.1 | -147 | 0 | 0 | 114.8 | ||||
| 2215 | S | 26.1 | Very low | 25.3 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | 69.5 | 162.1 | 154.5 | 80.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2216 | S | 23.5 | Very low | 25.3 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -171.4 | -173.2 | -174.1 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2217 | Q | 24.6 | Very low | 25 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | 77.8 | 154.6 | 169.8 | -59 | -172.5 | 25.5 | 0 | 0 | 117.8 | ||||
| 2218 | S | 24 | Very low | 24.6 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -156.4 | -139.7 | -25.5 | 64.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 2219 | R | 23.6 | Very low | 24.7 | Very low | 231 Ų | 231 | 134.5 Ų | 134.5 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -101.2 | 159.5 | -146.6 | -67.7 | 174.6 | 166.3 | 167.3 | -5.2 | 117.8 | ||||
| 2220 | S | 23.8 | Very low | 24.7 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 91.6 | 142.5 | 132.8 | 42.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 2221 | S | 23.2 | Very low | 25 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | 69.3 | 96.5 | 155.6 | 44.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2222 | L | 24.2 | Very low | 24.9 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | 45.5 | 107.7 | 124.1 | -67.2 | 161.9 | 0 | 0 | 0 | 119.8 | |||||
| 2223 | S | 21.5 | Very low | 24.9 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | -175.8 | 133.8 | 87.9 | 42.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2224 | I | 24.3 | Very low | 25.2 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 83% | 0.826 | 68% | 0.682 | S | S | * | * | trans | 23.2 | 109 | 145.2 | -52.9 | 170.6 | 0 | 0 | 0 | 118.5 | ||||
| 2225 | S | 21.8 | Very low | 25.6 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | -179.4 | 148.7 | 99.5 | 41.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2226 | N | 22.7 | Very low | 26.1 | Very low | 140 Ų | 140 | 114.6 Ų | 114.6 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | trans | 60 | 86.4 | 148.2 | -63.4 | -1.1 | 0 | 0 | 0 | 122.6 | ||||
| 2227 | T | 25.7 | Very low | 27 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 66% | 0.663 | 63% | 0.628 | S | S | * | * | 50 | 127.9 | 112.9 | 54.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 2228 | N | 24.2 | Very low | 27.8 | Very low | 152 Ų | 152 | 112.6 Ų | 112.6 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | -160.4 | 170.7 | 101.1 | -109.3 | -71.2 | 0 | 0 | 0 | 114.7 | |||||
| 2229 | H | 25.4 | Very low | 28.6 | Very low | 130 Ų | 130 | 112.3 Ų | 112.3 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | trans | -90.5 | 152.8 | -163.6 | -65.7 | -99.5 | 0 | 0 | 0 | 116.3 | S1226 | S1226-H2229 WeakPolarHBondContact CB-ND1 3.43Å; S1226-H2229 PolarHBondContact OG-ND1 2.78Å | ||
| 2230 | S | 24.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 104.4 Ų | 104.4 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | trans | -162.4 | 99.3 | 143.7 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2231 | N | 28.7 | Very low | 30.4 | Very low | 69 Ų | 69 | 104 Ų | 104 | 37% | 0.369 | 55% | 0.552 | S | S | . | * | trans | -162 | 29.3 | 171.5 | -110.5 | -35.8 | 0 | 0 | 0 | 120.1 | N1223 | N1223-N2231 HydrophobicContact CB-CB 4.14Å; N1223-N2231 WeakPolarHBondContact CB-ND2 3.36Å; N1223-N2231 PolarHBondContact ND2-ND2 3.16Å; N1223-N2231 VanDerWaalsContact ND2-ND2 3.13Å | ||
| 2232 | D | 28.2 | Very low | 31.4 | Very low | 24 Ų | 24 | 101.7 Ų | 101.7 | 13% | 0.128 | 54% | 0.539 | C | S | . | . | trans | -89.5 | -10.8 | 174.8 | -113.4 | -10.8 | 0 | 0 | 0 | 117.2 | H1225 S1226 I1227 D2234 | H1225-D2232 VanDerWaalsContact CA-OD1 3.23Å; H1225-D2232 WeakPolarHBondContact CA-OD1 3.43Å; H1225-D2232 IonicContact ND1-OD1 3.12Å; S1226-D2232 VanDerWaalsContact C-CB 3.44Å; S1226-D2232 VanDerWaalsContact C-OD2 3.26Å; S1226-D2232 PolarHBondContact N-OD1 3.26Å; S1226-D2232 VanDerWaalsContact N-OD1 3.08Å; S1226-D2232 VanDerWaalsContact O-CB 3.26Å; S1226-D2232 WeakPolarHBondContact O-CB 3.29Å; S1226-D2232 PolarHBondContact O-N 3.24Å; I1227-D2232 WeakPolarHBondContact CA-OD2 3.42Å; I1227-D2232 VanDerWaalsContact CG1-OD2 3.27Å; I1227-D2232 WeakPolarHBondContact CG1-OD2 3.43Å; I1227-D2232 PolarHBondContact N-OD2 2.85Å; D2232-D2234 PolarHBondContact O-N 3.34Å | ||
| 2233 | Q | 29.4 | Very low | 32.3 | Very low | 98 Ų | 98 | 98 Ų | 98 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | -172.4 | -73.6 | -140.9 | -4.6 | 0 | 0 | 113.1 | L1228 R2237 | L1228-Q2233 HydrophobicContact CB-CG 4.46Å; L1228-Q2233 HydrophobicContact CD1-CG 4Å; Q2233-R2237 VanDerWaalsContact O-CB 3.32Å; Q2233-R2237 WeakPolarHBondContact O-CB 3.29Å; Q2233-R2237 PolarHBondContact O-N 3.21Å |
| 2234 | D | 33.6 | Very low | 33.4 | Very low | 83 Ų | 83 | 98.8 Ų | 98.8 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.6 | -27.4 | -178.1 | -73.3 | -26.6 | 0 | 0 | 0 | 113.6 | D2232 R2237 K2238 | D2232-D2234 PolarHBondContact O-N 3.34Å; D2234-R2237 PolarHBondContact O-N 2.93Å; D2234-R2237 IonicContact OD1-CZ 2.73Å; D2234-R2237 IonicContact OD1-NH1 3.75Å; D2234-R2237 PolarHBondContact OD1-NH1 2.87Å; D2234-K2238 WeakPolarHBondContact O-CB 3.47Å; D2234-K2238 WeakPolarHBondContact O-CG 3.25Å; D2234-K2238 PolarHBondContact O-N 2.73Å |
| 2235 | W | 33.3 | Very low | 34.4 | Very low | 89 Ų | 89 | 95.6 Ų | 95.6 | 34% | 0.337 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 173.8 | -179.6 | 72.1 | 0 | 0 | 0 | 111.6 | H1225 R2239 | H1225-W2235 AromaticContact CE1-CD2 3.45Å; H1225-W2235 VanDerWaalsContact CE1-CD2 3.45Å; H1225-W2235 AromaticContact CE1-CE2 3.28Å; H1225-W2235 AromaticContact CE1-CE3 3.71Å; H1225-W2235 AromaticContact CE1-CH2 3.73Å; H1225-W2235 AromaticContact CE1-CZ2 3.46Å; H1225-W2235 VanDerWaalsContact CE1-CZ2 3.46Å; H1225-W2235 WeakPolarHBondContact CE1-CZ2 3.27Å; H1225-W2235 AromaticContact CE1-CZ3 3.85Å; H1225-W2235 AromaticContact CE1-NE1 3.74Å; H1225-W2235 AromaticContact ND1-CD2 3.64Å; H1225-W2235 AromaticContact ND1-CE2 3.97Å; H1225-W2235 AromaticContact ND1-CE3 3.65Å; W2235-R2239 VanDerWaalsContact O-CB 3.3Å; W2235-R2239 WeakPolarHBondContact O-CB 3.15Å; W2235-R2239 PolarHBondContact O-N 2.89Å |
| 2236 | V | 37.2 | Very low | 35.4 | Very low | 38 Ų | 38 | 95.6 Ų | 95.6 | 23% | 0.23 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68.3 | -36.8 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | N2240 | V2236-N2240 WeakPolarHBondContact O-CB 3.37Å; V2236-N2240 VanDerWaalsContact O-CG 3.32Å; V2236-N2240 PolarHBondContact O-N 2.77Å; V2236-N2240 PolarHBondContact O-OD1 2.68Å |
| 2237 | R | 41.9 | Very low | 36.5 | Very low | 137 Ų | 137 | 91.3 Ų | 91.3 | 52% | 0.517 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.7 | -49.5 | 176.9 | -168.6 | -179.6 | -74.8 | 137.8 | -9.4 | 111.4 | Q2233 D2234 R2239 N2240 Q2241 | Q2233-R2237 VanDerWaalsContact O-CB 3.32Å; Q2233-R2237 WeakPolarHBondContact O-CB 3.29Å; Q2233-R2237 PolarHBondContact O-N 3.21Å; D2234-R2237 PolarHBondContact O-N 2.93Å; D2234-R2237 IonicContact OD1-CZ 2.73Å; D2234-R2237 IonicContact OD1-NH1 3.75Å; D2234-R2237 PolarHBondContact OD1-NH1 2.87Å; R2237-R2239 PolarHBondContact O-N 3.28Å; R2237-N2240 PolarHBondContact O-N 3.29Å; R2237-Q2241 VanDerWaalsContact O-CB 3.32Å; R2237-Q2241 WeakPolarHBondContact O-CB 3.21Å; R2237-Q2241 PolarHBondContact O-N 2.95Å |
| 2238 | K | 42.3 | Very low | 37.6 | Very low | 100 Ų | 100 | 91.3 Ų | 91.3 | 44% | 0.435 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 174.8 | -73.6 | -166.4 | -178.6 | -166 | 0 | 112.6 | E1218 D2234 Q2241 A2242 | E1218-K2238 IonicContact OE1-NZ 3.92Å; E1218-K2238 PolarHBondContact OE1-NZ 3.27Å; E1218-K2238 IonicContact OE2-NZ 2.82Å; E1218-K2238 PolarHBondContact OE2-NZ 2.96Å; D2234-K2238 WeakPolarHBondContact O-CB 3.47Å; D2234-K2238 WeakPolarHBondContact O-CG 3.25Å; D2234-K2238 PolarHBondContact O-N 2.73Å; K2238-Q2241 PolarHBondContact O-N 3.42Å; K2238-A2242 WeakPolarHBondContact O-CB 3.2Å; K2238-A2242 PolarHBondContact O-N 2.89Å |
| 2239 | R | 40.1 | Very low | 38.8 | Very low | 105 Ų | 105 | 88.2 Ų | 88.2 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.5 | -50.7 | 175.2 | 179.9 | 176.4 | 175.6 | 140.6 | 10.7 | 111.4 | W2235 R2237 Q2241 A2242 E2243 | W2235-R2239 VanDerWaalsContact O-CB 3.3Å; W2235-R2239 WeakPolarHBondContact O-CB 3.15Å; W2235-R2239 PolarHBondContact O-N 2.89Å; R2237-R2239 PolarHBondContact O-N 3.28Å; R2239-Q2241 PolarHBondContact O-N 2.91Å; R2239-A2242 PolarHBondContact O-N 2.85Å; R2239-E2243 IonicContact CZ-OE1 2.68Å; R2239-E2243 IonicContact NE-OE1 2.76Å; R2239-E2243 PolarHBondContact NE-OE1 2.77Å; R2239-E2243 IonicContact NH2-OE1 3.32Å; R2239-E2243 PolarHBondContact NH2-OE1 3.33Å; R2239-E2243 WeakPolarHBondContact O-CB 3.26Å; R2239-E2243 WeakPolarHBondContact O-CG 3.22Å; R2239-E2243 PolarHBondContact O-N 2.91Å |
| 2240 | N | 41.8 | Very low | 39.6 | Very low | 64 Ų | 64 | 85.1 Ų | 85.1 | 34% | 0.342 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.6 | -34.3 | 178.6 | -72.9 | 22.4 | 0 | 0 | 0 | 111.7 | V2236 R2237 Q2244 | V2236-N2240 WeakPolarHBondContact O-CB 3.37Å; V2236-N2240 VanDerWaalsContact O-CG 3.32Å; V2236-N2240 PolarHBondContact O-N 2.77Å; V2236-N2240 PolarHBondContact O-OD1 2.68Å; R2237-N2240 PolarHBondContact O-N 3.29Å; N2240-Q2244 WeakPolarHBondContact O-CB 3.43Å; N2240-Q2244 WeakPolarHBondContact O-CG 3.42Å; N2240-Q2244 PolarHBondContact O-N 2.84Å |
| 2241 | Q | 44.5 | Very low | 40.6 | Very low | 98 Ų | 98 | 82.8 Ų | 82.8 | 46% | 0.458 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.6 | -44.5 | 177.4 | -168.6 | 168.5 | -12.6 | 0 | 0 | 112 | R2237 K2238 R2239 E2243 Q2244 E2245 | R2237-Q2241 VanDerWaalsContact O-CB 3.32Å; R2237-Q2241 WeakPolarHBondContact O-CB 3.21Å; R2237-Q2241 PolarHBondContact O-N 2.95Å; K2238-Q2241 PolarHBondContact O-N 3.42Å; R2239-Q2241 PolarHBondContact O-N 2.91Å; Q2241-E2243 PolarHBondContact O-N 3.06Å; Q2241-Q2244 CarbonylContact O-C 3.6Å; Q2241-Q2244 WeakPolarHBondContact O-CB 3.49Å; Q2241-Q2244 PolarHBondContact O-N 2.76Å; Q2241-E2245 WeakPolarHBondContact O-CG 3.47Å; Q2241-E2245 PolarHBondContact O-N 2.7Å |
| 2242 | A | 44.1 | Very low | 41.7 | Very low | 55 Ų | 55 | 85.7 Ų | 85.7 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.4 | -34.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K2238 R2239 E2245 L2246 | K2238-A2242 WeakPolarHBondContact O-CB 3.2Å; K2238-A2242 PolarHBondContact O-N 2.89Å; R2239-A2242 PolarHBondContact O-N 2.85Å; A2242-E2245 PolarHBondContact O-N 2.98Å; A2242-L2246 VanDerWaalsContact O-CB 3.26Å; A2242-L2246 WeakPolarHBondContact O-CB 3.44Å; A2242-L2246 PolarHBondContact O-N 3.35Å |
| 2243 | E | 42.6 | Very low | 42.5 | Very low | 90 Ų | 90 | 89.1 Ų | 89.1 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.5 | -32.9 | 171.5 | -74.6 | 179.1 | -175.2 | 0 | 0 | 111.9 | R2239 Q2241 L2247 | R2239-E2243 IonicContact CZ-OE1 2.68Å; R2239-E2243 IonicContact NE-OE1 2.76Å; R2239-E2243 PolarHBondContact NE-OE1 2.77Å; R2239-E2243 IonicContact NH2-OE1 3.32Å; R2239-E2243 PolarHBondContact NH2-OE1 3.33Å; R2239-E2243 WeakPolarHBondContact O-CB 3.26Å; R2239-E2243 WeakPolarHBondContact O-CG 3.22Å; R2239-E2243 PolarHBondContact O-N 2.91Å; Q2241-E2243 PolarHBondContact O-N 3.06Å; E2243-L2247 WeakPolarHBondContact O-CB 3.35Å; E2243-L2247 PolarHBondContact O-N 3.27Å; E2243-L2247 VanDerWaalsContact O-N 3.08Å |
| 2244 | Q | 44.2 | Very low | 43.4 | Very low | 124 Ų | 124 | 88.6 Ų | 88.6 | 58% | 0.579 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.9 | -48.5 | 168.4 | -84.2 | -172.6 | -95.7 | 0 | 0 | 112 | N2240 Q2241 L2246 L2247 E2248 | N2240-Q2244 WeakPolarHBondContact O-CB 3.43Å; N2240-Q2244 WeakPolarHBondContact O-CG 3.42Å; N2240-Q2244 PolarHBondContact O-N 2.84Å; Q2241-Q2244 CarbonylContact O-C 3.6Å; Q2241-Q2244 WeakPolarHBondContact O-CB 3.49Å; Q2241-Q2244 PolarHBondContact O-N 2.76Å; Q2244-L2246 VanDerWaalsContact C-N 3.33Å; Q2244-L2246 PolarHBondContact O-N 2.75Å; Q2244-L2247 CarbonylContact O-C 3.58Å; Q2244-L2247 PolarHBondContact O-N 2.85Å; Q2244-L2247 VanDerWaalsContact O-N 3.12Å; Q2244-E2248 WeakPolarHBondContact O-CB 3.42Å; Q2244-E2248 WeakPolarHBondContact O-CG 3.45Å; Q2244-E2248 PolarHBondContact O-N 2.84Å |
| 2245 | E | 46.7 | Very low | 44.1 | Very low | 94 Ų | 94 | 87.3 Ų | 87.3 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.7 | -35.1 | -178 | -73.8 | 162.9 | 170.2 | 0 | 0 | 111.7 | Q2241 A2242 T2249 | Q2241-E2245 WeakPolarHBondContact O-CG 3.47Å; Q2241-E2245 PolarHBondContact O-N 2.7Å; A2242-E2245 PolarHBondContact O-N 2.98Å; E2245-T2249 VanDerWaalsContact O-CB 3.3Å; E2245-T2249 WeakPolarHBondContact O-CB 3.48Å; E2245-T2249 PolarHBondContact O-N 3.48Å; E2245-T2249 PolarHBondContact O-OG1 2.85Å |
| 2246 | L | 43.1 | Very low | 44.8 | Very low | 105 Ų | 105 | 88.4 Ų | 88.4 | 55% | 0.55 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 170.2 | -171.7 | 72.5 | 0 | 0 | 0 | 111.8 | A2242 Q2244 T2249 Q2250 | A2242-L2246 VanDerWaalsContact O-CB 3.26Å; A2242-L2246 WeakPolarHBondContact O-CB 3.44Å; A2242-L2246 PolarHBondContact O-N 3.35Å; Q2244-L2246 VanDerWaalsContact C-N 3.33Å; Q2244-L2246 PolarHBondContact O-N 2.75Å; L2246-T2249 PolarHBondContact O-N 3.34Å; L2246-Q2250 PolarHBondContact O-N 2.78Å |
| 2247 | L | 45.1 | Very low | 45.2 | Very low | 49 Ų | 49 | 91.8 Ų | 91.8 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 178.5 | -168.4 | 70.6 | 0 | 0 | 0 | 112 | E2243 Q2244 N2251 | E2243-L2247 WeakPolarHBondContact O-CB 3.35Å; E2243-L2247 PolarHBondContact O-N 3.27Å; E2243-L2247 VanDerWaalsContact O-N 3.08Å; Q2244-L2247 CarbonylContact O-C 3.58Å; Q2244-L2247 PolarHBondContact O-N 2.85Å; Q2244-L2247 VanDerWaalsContact O-N 3.12Å; L2247-N2251 WeakPolarHBondContact O-CB 3.46Å; L2247-N2251 PolarHBondContact O-N 2.79Å; L2247-N2251 PolarHBondContact O-ND2 2.82Å; L2247-N2251 VanDerWaalsContact O-ND2 3.08Å |
| 2248 | E | 49.4 | Very low | 45.5 | Very low | 109 Ų | 109 | 88.4 Ų | 88.4 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 171.1 | -75.9 | -167.6 | 153.4 | 0 | 0 | 111 | Q2244 N2251 Q2252 | Q2244-E2248 WeakPolarHBondContact O-CB 3.42Å; Q2244-E2248 WeakPolarHBondContact O-CG 3.45Å; Q2244-E2248 PolarHBondContact O-N 2.84Å; E2248-N2251 CarbonylContact O-C 3.59Å; E2248-N2251 PolarHBondContact O-N 3.03Å; E2248-Q2252 VanDerWaalsContact O-CB 3.28Å; E2248-Q2252 WeakPolarHBondContact O-CB 3.23Å; E2248-Q2252 VanDerWaalsContact O-CG 3.26Å; E2248-Q2252 WeakPolarHBondContact O-CG 3.2Å; E2248-Q2252 PolarHBondContact O-N 3.3Å |
| 2249 | T | 48.8 | Very low | 45.7 | Very low | 87 Ų | 87 | 89.2 Ų | 89.2 | 53% | 0.534 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | E2245 L2246 Q2252 K2253 | E2245-T2249 VanDerWaalsContact O-CB 3.3Å; E2245-T2249 WeakPolarHBondContact O-CB 3.48Å; E2245-T2249 PolarHBondContact O-N 3.48Å; E2245-T2249 PolarHBondContact O-OG1 2.85Å; L2246-T2249 PolarHBondContact O-N 3.34Å; T2249-Q2252 PolarHBondContact O-N 2.87Å; T2249-K2253 WeakPolarHBondContact O-CB 3.13Å; T2249-K2253 PolarHBondContact O-N 2.83Å |
| 2250 | Q | 42.9 | Very low | 46.2 | Very low | 65 Ų | 65 | 88.9 Ų | 88.9 | 30% | 0.304 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 172.8 | -86.9 | -168.7 | -19.1 | 0 | 0 | 112 | D1166 L2246 Q2252 K2253 I2254 | D1166-Q2250 PolarHBondContact OD1-NE2 2.85Å; L2246-Q2250 PolarHBondContact O-N 2.78Å; Q2250-Q2252 VanDerWaalsContact C-N 3.33Å; Q2250-Q2252 PolarHBondContact O-N 2.88Å; Q2250-K2253 PolarHBondContact O-N 3.19Å; Q2250-I2254 WeakPolarHBondContact O-CB 3.19Å; Q2250-I2254 VanDerWaalsContact O-CG1 3.23Å; Q2250-I2254 WeakPolarHBondContact O-CG1 3.5Å; Q2250-I2254 PolarHBondContact O-N 2.87Å |
| 2251 | N | 45.5 | Very low | 46.5 | Very low | 56 Ų | 56 | 89.9 Ų | 89.9 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.2 | -33.1 | 178.3 | -72.7 | -29.9 | 0 | 0 | 0 | 112 | R58 L2247 E2248 S2255 | R58-N2251 PolarHBondContact NE-OD1 3.47Å; L2247-N2251 WeakPolarHBondContact O-CB 3.46Å; L2247-N2251 PolarHBondContact O-N 2.79Å; L2247-N2251 PolarHBondContact O-ND2 2.82Å; L2247-N2251 VanDerWaalsContact O-ND2 3.08Å; E2248-N2251 CarbonylContact O-C 3.59Å; E2248-N2251 PolarHBondContact O-N 3.03Å; N2251-S2255 WeakPolarHBondContact O-CB 3.24Å; N2251-S2255 PolarHBondContact O-N 2.63Å |
| 2252 | Q | 51.3 | Low | 46.7 | Very low | 130 Ų | 130 | 87.5 Ų | 87.5 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.9 | -49.3 | 171.6 | -77.8 | 179.6 | 20.2 | 0 | 0 | 110.6 | E2248 T2249 Q2250 I2254 S2255 Q2256 | E2248-Q2252 VanDerWaalsContact O-CB 3.28Å; E2248-Q2252 WeakPolarHBondContact O-CB 3.23Å; E2248-Q2252 VanDerWaalsContact O-CG 3.26Å; E2248-Q2252 WeakPolarHBondContact O-CG 3.2Å; E2248-Q2252 PolarHBondContact O-N 3.3Å; T2249-Q2252 PolarHBondContact O-N 2.87Å; Q2250-Q2252 VanDerWaalsContact C-N 3.33Å; Q2250-Q2252 PolarHBondContact O-N 2.88Å; Q2252-I2254 VanDerWaalsContact C-N 3.31Å; Q2252-I2254 PolarHBondContact O-N 2.54Å; Q2252-S2255 CarbonylContact O-C 3.58Å; Q2252-S2255 PolarHBondContact O-N 3.04Å; Q2252-S2255 VanDerWaalsContact O-N 3.14Å; Q2252-Q2256 VanDerWaalsContact O-CB 3.27Å; Q2252-Q2256 WeakPolarHBondContact O-CB 3.5Å; Q2252-Q2256 PolarHBondContact O-N 2.74Å |
| 2253 | K | 44.6 | Very low | 47.2 | Very low | 95 Ų | 95 | 86.9 Ų | 86.9 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 177.7 | -158 | 176.5 | -179.3 | -170.3 | 0 | 111.4 | D1161 T2249 Q2250 L2257 | D1161-K2253 IonicContact OD1-NZ 2.87Å; D1161-K2253 IonicContact OD2-NZ 3.25Å; D1161-K2253 PolarHBondContact OD2-NZ 2.66Å; T2249-K2253 WeakPolarHBondContact O-CB 3.13Å; T2249-K2253 PolarHBondContact O-N 2.83Å; Q2250-K2253 PolarHBondContact O-N 3.19Å; K2253-L2257 WeakPolarHBondContact O-CG 3.28Å; K2253-L2257 PolarHBondContact O-N 3.08Å; K2253-L2257 VanDerWaalsContact O-N 3.16Å |
| 2254 | I | 48.7 | Very low | 47.8 | Very low | 87 Ų | 87 | 87.9 Ų | 87.9 | 45% | 0.446 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 173.1 | -68.6 | 165.8 | 0 | 0 | 0 | 111.5 | Q2250 Q2252 Q2256 L2257 E2258 | Q2250-I2254 WeakPolarHBondContact O-CB 3.19Å; Q2250-I2254 VanDerWaalsContact O-CG1 3.23Å; Q2250-I2254 WeakPolarHBondContact O-CG1 3.5Å; Q2250-I2254 PolarHBondContact O-N 2.87Å; Q2252-I2254 VanDerWaalsContact C-N 3.31Å; Q2252-I2254 PolarHBondContact O-N 2.54Å; I2254-Q2256 VanDerWaalsContact C-N 3.29Å; I2254-Q2256 PolarHBondContact O-N 2.77Å; I2254-L2257 PolarHBondContact O-N 2.66Å; I2254-E2258 PolarHBondContact O-N 2.74Å |
| 2255 | S | 48.4 | Very low | 48 | Very low | 57 Ų | 57 | 86 Ų | 86 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.4 | -28.7 | 178.5 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | N2251 Q2252 Q2259 | N2251-S2255 WeakPolarHBondContact O-CB 3.24Å; N2251-S2255 PolarHBondContact O-N 2.63Å; Q2252-S2255 CarbonylContact O-C 3.58Å; Q2252-S2255 PolarHBondContact O-N 3.04Å; Q2252-S2255 VanDerWaalsContact O-N 3.14Å; S2255-Q2259 WeakPolarHBondContact O-CB 3.31Å; S2255-Q2259 WeakPolarHBondContact O-CG 3.49Å; S2255-Q2259 PolarHBondContact O-N 3.06Å |
| 2256 | Q | 47.1 | Very low | 48.2 | Very low | 111 Ų | 111 | 84 Ų | 84 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.9 | -45.3 | 174.3 | -172.4 | 170.9 | 8.1 | 0 | 0 | 110.4 | Q2252 I2254 Q2259 E2260 | Q2252-Q2256 VanDerWaalsContact O-CB 3.27Å; Q2252-Q2256 WeakPolarHBondContact O-CB 3.5Å; Q2252-Q2256 PolarHBondContact O-N 2.74Å; I2254-Q2256 VanDerWaalsContact C-N 3.29Å; I2254-Q2256 PolarHBondContact O-N 2.77Å; Q2256-Q2259 PolarHBondContact O-N 3.24Å; Q2256-E2260 PolarHBondContact O-N 3.16Å |
| 2257 | L | 46.3 | Very low | 48.6 | Very low | 110 Ų | 110 | 86.3 Ų | 86.3 | 58% | 0.576 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 171.3 | -68 | 169.1 | 0 | 0 | 0 | 112.2 | K2253 I2254 Q2259 E2260 H2261 | K2253-L2257 WeakPolarHBondContact O-CG 3.28Å; K2253-L2257 PolarHBondContact O-N 3.08Å; K2253-L2257 VanDerWaalsContact O-N 3.16Å; I2254-L2257 PolarHBondContact O-N 2.66Å; L2257-Q2259 VanDerWaalsContact C-N 3.32Å; L2257-Q2259 PolarHBondContact O-N 2.66Å; L2257-E2260 PolarHBondContact O-N 3.07Å; L2257-H2261 VanDerWaalsContact O-CB 3.25Å; L2257-H2261 WeakPolarHBondContact O-CB 3.27Å; L2257-H2261 PolarHBondContact O-N 3.34Å |
| 2258 | E | 49.1 | Very low | 48.6 | Very low | 65 Ų | 65 | 89.4 Ų | 89.4 | 30% | 0.304 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 171.2 | -111.7 | -159.2 | -114.6 | 0 | 0 | 111.7 | K75 I2254 R2262 | K75-E2258 IonicContact NZ-OE1 2.88Å; K75-E2258 PolarHBondContact NZ-OE1 2.95Å; K75-E2258 IonicContact NZ-OE2 2.96Å; K75-E2258 PolarHBondContact NZ-OE2 2.82Å; I2254-E2258 PolarHBondContact O-N 2.74Å; E2258-R2262 VanDerWaalsContact O-CB 3.29Å; E2258-R2262 WeakPolarHBondContact O-CB 3.34Å; E2258-R2262 WeakPolarHBondContact O-CD 3.48Å; E2258-R2262 WeakPolarHBondContact O-CG 3.48Å; E2258-R2262 PolarHBondContact O-N 2.86Å; E2258-R2262 IonicContact OE2-CZ 3.1Å; E2258-R2262 IonicContact OE2-NE 2.66Å; E2258-R2262 PolarHBondContact OE2-NE 3.03Å; E2258-R2262 IonicContact OE2-NH2 2.87Å; E2258-R2262 PolarHBondContact OE2-NH2 2.74Å |
| 2259 | Q | 45.9 | Very low | 48.5 | Very low | 118 Ų | 118 | 88.8 Ų | 88.8 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71 | -42.1 | 177.4 | -84.7 | -173.9 | -2.2 | 0 | 0 | 112.7 | S2255 Q2256 L2257 R2262 A2263 | S2255-Q2259 WeakPolarHBondContact O-CB 3.31Å; S2255-Q2259 WeakPolarHBondContact O-CG 3.49Å; S2255-Q2259 PolarHBondContact O-N 3.06Å; Q2256-Q2259 PolarHBondContact O-N 3.24Å; L2257-Q2259 VanDerWaalsContact C-N 3.32Å; L2257-Q2259 PolarHBondContact O-N 2.66Å; Q2259-R2262 PolarHBondContact O-N 2.98Å; Q2259-A2263 VanDerWaalsContact O-CB 3.3Å; Q2259-A2263 WeakPolarHBondContact O-CB 3.27Å; Q2259-A2263 PolarHBondContact O-N 3Å |
| 2260 | E | 49.5 | Very low | 48.5 | Very low | 98 Ų | 98 | 87.3 Ų | 87.3 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 176.9 | -72 | 179.5 | 171.5 | 0 | 0 | 111.1 | Q2256 L2257 A2263 M2264 | Q2256-E2260 PolarHBondContact O-N 3.16Å; L2257-E2260 PolarHBondContact O-N 3.07Å; E2260-A2263 PolarHBondContact O-N 3.42Å; E2260-M2264 PolarHBondContact O-N 3.31Å |
| 2261 | H | 49 | Very low | 48.6 | Very low | 85 Ų | 85 | 89 Ų | 89 | 39% | 0.394 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 173 | -171.8 | -110 | 0 | 0 | 0 | 112.7 | L2257 M2264 L2265 | L2257-H2261 VanDerWaalsContact O-CB 3.25Å; L2257-H2261 WeakPolarHBondContact O-CB 3.27Å; L2257-H2261 PolarHBondContact O-N 3.34Å; H2261-M2264 WeakPolarHBondContact O-CB 3.38Å; H2261-M2264 PolarHBondContact O-N 2.78Å; H2261-L2265 PolarHBondContact O-N 3.25Å |
| 2262 | R | 49 | Very low | 48.6 | Very low | 48 Ų | 48 | 88.8 Ų | 88.8 | 18% | 0.181 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 171.4 | -77.4 | 168.6 | -170.7 | -107.3 | 4.4 | 111.7 | E2258 Q2259 M2264 L2265 I2266 | E2258-R2262 VanDerWaalsContact O-CB 3.29Å; E2258-R2262 WeakPolarHBondContact O-CB 3.34Å; E2258-R2262 WeakPolarHBondContact O-CD 3.48Å; E2258-R2262 WeakPolarHBondContact O-CG 3.48Å; E2258-R2262 PolarHBondContact O-N 2.86Å; E2258-R2262 IonicContact OE2-CZ 3.1Å; E2258-R2262 IonicContact OE2-NE 2.66Å; E2258-R2262 PolarHBondContact OE2-NE 3.03Å; E2258-R2262 IonicContact OE2-NH2 2.87Å; E2258-R2262 PolarHBondContact OE2-NH2 2.74Å; Q2259-R2262 PolarHBondContact O-N 2.98Å; R2262-M2264 VanDerWaalsContact C-N 3.25Å; R2262-M2264 PolarHBondContact O-N 2.79Å; R2262-L2265 PolarHBondContact O-N 2.88Å; R2262-I2266 HydrophobicContact CB-CD1 4.49Å; R2262-I2266 WeakPolarHBondContact O-CB 3.33Å; R2262-I2266 WeakPolarHBondContact O-CG1 3.48Å; R2262-I2266 PolarHBondContact O-N 2.98Å |
| 2263 | A | 53.2 | Low | 48.3 | Very low | 42 Ų | 42 | 86.5 Ų | 86.5 | 35% | 0.347 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -31.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q2259 E2260 R2267 | Q2259-A2263 VanDerWaalsContact O-CB 3.3Å; Q2259-A2263 WeakPolarHBondContact O-CB 3.27Å; Q2259-A2263 PolarHBondContact O-N 3Å; E2260-A2263 PolarHBondContact O-N 3.42Å; A2263-R2267 WeakPolarHBondContact O-CD 3.12Å; A2263-R2267 WeakPolarHBondContact O-CG 3.49Å; A2263-R2267 PolarHBondContact O-N 2.9Å |
| 2264 | M | 55.8 | Low | 48.3 | Very low | 111 Ų | 111 | 85.9 Ų | 85.9 | 55% | 0.547 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.6 | -49.4 | 172.2 | -167.8 | -167.4 | -54 | 0 | 0 | 111.9 | E2260 H2261 R2262 R2267 Q2268 | E2260-M2264 PolarHBondContact O-N 3.31Å; H2261-M2264 WeakPolarHBondContact O-CB 3.38Å; H2261-M2264 PolarHBondContact O-N 2.78Å; R2262-M2264 VanDerWaalsContact C-N 3.25Å; R2262-M2264 PolarHBondContact O-N 2.79Å; M2264-R2267 WeakPolarHBondContact O-CB 3.5Å; M2264-R2267 PolarHBondContact O-N 3.29Å; M2264-Q2268 PolarHBondContact O-N 2.74Å; M2264-Q2268 VanDerWaalsContact O-N 3.08Å |
| 2265 | L | 48.3 | Very low | 47.8 | Very low | 84 Ų | 84 | 84.3 Ų | 84.3 | 44% | 0.44 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 177.5 | -74.5 | 168.8 | 0 | 0 | 0 | 112 | H2261 R2262 R2267 Q2268 E2269 | H2261-L2265 PolarHBondContact O-N 3.25Å; R2262-L2265 PolarHBondContact O-N 2.88Å; L2265-R2267 VanDerWaalsContact C-N 3.27Å; L2265-R2267 PolarHBondContact O-N 3.3Å; L2265-Q2268 PolarHBondContact O-N 2.79Å; L2265-E2269 PolarHBondContact O-N 3.33Å |
| 2266 | I | 52.2 | Low | 47.6 | Very low | 53 Ų | 53 | 85.8 Ų | 85.8 | 27% | 0.272 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 177 | -68.8 | 166.5 | 0 | 0 | 0 | 110.8 | R2262 E2269 L2270 | R2262-I2266 HydrophobicContact CB-CD1 4.49Å; R2262-I2266 WeakPolarHBondContact O-CB 3.33Å; R2262-I2266 WeakPolarHBondContact O-CG1 3.48Å; R2262-I2266 PolarHBondContact O-N 2.98Å; I2266-E2269 PolarHBondContact O-N 3.47Å; I2266-L2270 HydrophobicContact CG2-CD1 3.81Å; I2266-L2270 HydrophobicContact CG2-CG 4.25Å; I2266-L2270 VanDerWaalsContact O-CB 3.24Å; I2266-L2270 WeakPolarHBondContact O-CB 3.33Å; I2266-L2270 WeakPolarHBondContact O-CG 3.48Å; I2266-L2270 PolarHBondContact O-N 3.05Å |
| 2267 | R | 50.9 | Low | 47.2 | Very low | 153 Ų | 153 | 86.2 Ų | 86.2 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 172.3 | -74.8 | 170.8 | -166.9 | -164.1 | 6.2 | 112.8 | A2263 M2264 L2265 R2271 | A2263-R2267 WeakPolarHBondContact O-CD 3.12Å; A2263-R2267 WeakPolarHBondContact O-CG 3.49Å; A2263-R2267 PolarHBondContact O-N 2.9Å; M2264-R2267 WeakPolarHBondContact O-CB 3.5Å; M2264-R2267 PolarHBondContact O-N 3.29Å; L2265-R2267 VanDerWaalsContact C-N 3.27Å; L2265-R2267 PolarHBondContact O-N 3.3Å; R2267-R2271 WeakPolarHBondContact O-CB 3.42Å; R2267-R2271 WeakPolarHBondContact O-CG 3.37Å; R2267-R2271 PolarHBondContact O-N 3.12Å |
| 2268 | Q | 45.7 | Very low | 46.7 | Very low | 114 Ų | 114 | 86.1 Ų | 86.1 | 53% | 0.533 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 175.3 | -71.5 | -175.9 | -12.4 | 0 | 0 | 111.6 | M2264 L2265 R2271 A2272 | M2264-Q2268 PolarHBondContact O-N 2.74Å; M2264-Q2268 VanDerWaalsContact O-N 3.08Å; L2265-Q2268 PolarHBondContact O-N 2.79Å; Q2268-R2271 PolarHBondContact O-N 2.57Å; Q2268-A2272 PolarHBondContact O-N 2.96Å; Q2268-A2272 VanDerWaalsContact O-N 3.1Å |
| 2269 | E | 46.9 | Very low | 46 | Very low | 96 Ų | 96 | 84.7 Ų | 84.7 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -71.6 | -35.6 | 179.4 | -154.2 | -177.7 | 132.1 | 0 | 0 | 112.2 | L2265 I2266 A2272 K2273 | L2265-E2269 PolarHBondContact O-N 3.33Å; I2266-E2269 PolarHBondContact O-N 3.47Å; E2269-A2272 WeakPolarHBondContact O-CB 3.48Å; E2269-A2272 PolarHBondContact O-N 3.34Å; E2269-K2273 WeakPolarHBondContact O-CG 3.49Å; E2269-K2273 PolarHBondContact O-N 3.07Å; E2269-K2273 WeakPolarHBondContact OE1-CE 3.36Å; E2269-K2273 IonicContact OE1-NZ 3.27Å; E2269-K2273 PolarHBondContact OE1-NZ 3.43Å |
| 2270 | L | 47.7 | Very low | 45.4 | Very low | 55 Ų | 55 | 86.6 Ų | 86.6 | 29% | 0.288 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 169.7 | -75.6 | 169.4 | 0 | 0 | 0 | 111.5 | I2266 A2272 K2273 E2274 | I2266-L2270 HydrophobicContact CG2-CD1 3.81Å; I2266-L2270 HydrophobicContact CG2-CG 4.25Å; I2266-L2270 VanDerWaalsContact O-CB 3.24Å; I2266-L2270 WeakPolarHBondContact O-CB 3.33Å; I2266-L2270 WeakPolarHBondContact O-CG 3.48Å; I2266-L2270 PolarHBondContact O-N 3.05Å; L2270-A2272 PolarHBondContact O-N 3.33Å; L2270-A2272 VanDerWaalsContact O-N 3.16Å; L2270-K2273 PolarHBondContact O-N 3.33Å; L2270-K2273 VanDerWaalsContact O-N 3.12Å; L2270-E2274 WeakPolarHBondContact O-CB 3.34Å; L2270-E2274 WeakPolarHBondContact O-CG 3.37Å; L2270-E2274 PolarHBondContact O-N 3.22Å |
| 2271 | R | 46.3 | Very low | 44.6 | Very low | 100 Ų | 100 | 88 Ų | 88 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59 | -24.4 | 173.6 | -79 | 176.2 | 173.4 | 174.7 | -0.4 | 113.2 | D1125 R2267 Q2268 R2275 | D1125-R2271 IonicContact OD2-CZ 2.84Å; D1125-R2271 IonicContact OD2-NE 3.09Å; D1125-R2271 IonicContact OD2-NH2 2.84Å; D1125-R2271 PolarHBondContact OD2-NH2 2.71Å; R2267-R2271 WeakPolarHBondContact O-CB 3.42Å; R2267-R2271 WeakPolarHBondContact O-CG 3.37Å; R2267-R2271 PolarHBondContact O-N 3.12Å; Q2268-R2271 PolarHBondContact O-N 2.57Å; R2271-R2275 VanDerWaalsContact O-CD 3.29Å; R2271-R2275 WeakPolarHBondContact O-CD 3.48Å; R2271-R2275 WeakPolarHBondContact O-CG 3.45Å; R2271-R2275 PolarHBondContact O-NE 3.28Å; R2271-R2275 VanDerWaalsContact O-NE 3.14Å |
| 2272 | A | 45.1 | Very low | 43.7 | Very low | 52 Ų | 52 | 90 Ų | 90 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -80.7 | -45.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q2268 E2269 L2270 E2274 R2275 T2276 | Q2268-A2272 PolarHBondContact O-N 2.96Å; Q2268-A2272 VanDerWaalsContact O-N 3.1Å; E2269-A2272 WeakPolarHBondContact O-CB 3.48Å; E2269-A2272 PolarHBondContact O-N 3.34Å; L2270-A2272 PolarHBondContact O-N 3.33Å; L2270-A2272 VanDerWaalsContact O-N 3.16Å; A2272-E2274 VanDerWaalsContact C-N 3.32Å; A2272-E2274 PolarHBondContact O-N 2.97Å; A2272-R2275 WeakPolarHBondContact O-CB 3.44Å; A2272-R2275 PolarHBondContact O-N 3.05Å; A2272-R2275 VanDerWaalsContact O-N 3.14Å; A2272-T2276 PolarHBondContact O-N 3.07Å |
| 2273 | K | 43.6 | Very low | 42.8 | Very low | 83 Ų | 83 | 95.3 Ų | 95.3 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 177.3 | -70.2 | 164.1 | -176.7 | 164.8 | 0 | 112.5 | D79 E2269 L2270 R2275 T2276 H2277 | D79-K2273 IonicContact OD2-NZ 3.79Å; D79-K2273 PolarHBondContact OD2-NZ 2.58Å; E2269-K2273 WeakPolarHBondContact O-CG 3.49Å; E2269-K2273 PolarHBondContact O-N 3.07Å; E2269-K2273 WeakPolarHBondContact OE1-CE 3.36Å; E2269-K2273 IonicContact OE1-NZ 3.27Å; E2269-K2273 PolarHBondContact OE1-NZ 3.43Å; L2270-K2273 PolarHBondContact O-N 3.33Å; L2270-K2273 VanDerWaalsContact O-N 3.12Å; K2273-R2275 VanDerWaalsContact C-N 3.31Å; K2273-R2275 PolarHBondContact O-N 3.06Å; K2273-T2276 WeakPolarHBondContact CA-OG1 3.18Å; K2273-T2276 PolarHBondContact O-N 3.28Å; K2273-T2276 PolarHBondContact O-OG1 3.29Å; K2273-H2277 WeakPolarHBondContact O-CB 3.01Å; K2273-H2277 PolarHBondContact O-N 3.27Å; K2273-H2277 VanDerWaalsContact O-N 3.13Å |
| 2274 | E | 45 | Very low | 41.4 | Very low | 82 Ų | 82 | 101.8 Ų | 101.8 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 173.5 | -76.3 | 176.3 | 145.5 | 0 | 0 | 112.1 | S1422 L2270 A2272 W2278 | S1422-E2274 WeakPolarHBondContact CB-OE1 3.49Å; S1422-E2274 PolarHBondContact OG-OE1 2.9Å; L2270-E2274 WeakPolarHBondContact O-CB 3.34Å; L2270-E2274 WeakPolarHBondContact O-CG 3.37Å; L2270-E2274 PolarHBondContact O-N 3.22Å; A2272-E2274 VanDerWaalsContact C-N 3.32Å; A2272-E2274 PolarHBondContact O-N 2.97Å; E2274-W2278 PolarHBondContact O-N 2.84Å |
| 2275 | R | 39.1 | Very low | 40 | Very low | 54 Ų | 54 | 103.1 Ų | 103.1 | 20% | 0.204 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68.9 | -47.6 | 178.2 | -66.8 | 163.8 | -169.4 | -115.6 | -16.1 | 111.6 | I1080 I1083 V1118 R2271 A2272 K2273 H2277 W2278 F2279 | I1080-R2275 PolarHBondContact O-NH1 3.06Å; I1083-R2275 VanDerWaalsContact CG2-CZ 3.41Å; I1083-R2275 VanDerWaalsContact CG2-NH2 3.31Å; V1118-R2275 VanDerWaalsContact CG1-NH2 3.32Å; V1118-R2275 PolarHBondContact O-NH2 2.83Å; R2271-R2275 VanDerWaalsContact O-CD 3.29Å; R2271-R2275 WeakPolarHBondContact O-CD 3.48Å; R2271-R2275 WeakPolarHBondContact O-CG 3.45Å; R2271-R2275 PolarHBondContact O-NE 3.28Å; R2271-R2275 VanDerWaalsContact O-NE 3.14Å; A2272-R2275 WeakPolarHBondContact O-CB 3.44Å; A2272-R2275 PolarHBondContact O-N 3.05Å; A2272-R2275 VanDerWaalsContact O-N 3.14Å; K2273-R2275 VanDerWaalsContact C-N 3.31Å; K2273-R2275 PolarHBondContact O-N 3.06Å; R2275-H2277 VanDerWaalsContact C-N 3.29Å; R2275-H2277 PolarHBondContact O-N 3.23Å; R2275-W2278 WeakPolarHBondContact O-CB 3.41Å; R2275-W2278 PolarHBondContact O-N 3.41Å; R2275-W2278 VanDerWaalsContact O-N 3.12Å; R2275-F2279 WeakPolarHBondContact O-CD2 3.26Å; R2275-F2279 PolarHBondContact O-N 2.64Å |
| 2276 | T | 43.5 | Very low | 38.9 | Very low | 88 Ų | 88 | 107.9 Ų | 107.9 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 177.2 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | A2272 K2273 W2278 F2279 E2280 | A2272-T2276 PolarHBondContact O-N 3.07Å; K2273-T2276 WeakPolarHBondContact CA-OG1 3.18Å; K2273-T2276 PolarHBondContact O-N 3.28Å; K2273-T2276 PolarHBondContact O-OG1 3.29Å; T2276-W2278 VanDerWaalsContact C-N 3.32Å; T2276-W2278 PolarHBondContact O-N 2.73Å; T2276-F2279 PolarHBondContact O-N 3.41Å; T2276-E2280 PolarHBondContact O-N 3.49Å |
| 2277 | H | 39.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.6 | -22.7 | 178.4 | -160.9 | -45.5 | 0 | 0 | 0 | 113.2 | K2273 R2275 | K2273-H2277 WeakPolarHBondContact O-CB 3.01Å; K2273-H2277 PolarHBondContact O-N 3.27Å; K2273-H2277 VanDerWaalsContact O-N 3.13Å; R2275-H2277 VanDerWaalsContact C-N 3.29Å; R2275-H2277 PolarHBondContact O-N 3.23Å |
| 2278 | W | 34.4 | Very low | 36.7 | Very low | 108 Ų | 108 | 108.5 Ų | 108.5 | 41% | 0.409 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.5 | -33.3 | 172.4 | -159.1 | 81.9 | 0 | 0 | 0 | 112.1 | E1117 E2274 R2275 T2276 K2282 | E1117-W2278 WeakPolarHBondContact OE2-CH2 3.16Å; E1117-W2278 WeakPolarHBondContact OE2-CZ2 3.33Å; E2274-W2278 PolarHBondContact O-N 2.84Å; R2275-W2278 WeakPolarHBondContact O-CB 3.41Å; R2275-W2278 PolarHBondContact O-N 3.41Å; R2275-W2278 VanDerWaalsContact O-N 3.12Å; T2276-W2278 VanDerWaalsContact C-N 3.32Å; T2276-W2278 PolarHBondContact O-N 2.73Å; W2278-K2282 HydrophobicContact CH2-CD 4.43Å; W2278-K2282 HydrophobicContact CZ3-CD 4.17Å |
| 2279 | F | 34.6 | Very low | 35.7 | Very low | 35 Ų | 35 | 108.3 Ų | 108.3 | 15% | 0.154 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -73.5 | -39.3 | 179.2 | -87.4 | -71.6 | 0 | 0 | 0 | 114.4 | Y1076 Q1077 I1080 R2275 T2276 N2281 K2282 | Y1076-F2279 AromaticContact CD1-CE1 3.66Å; Y1076-F2279 HydrophobicContact CD1-CE1 3.66Å; Y1076-F2279 AromaticContact CD1-CZ 3.63Å; Y1076-F2279 HydrophobicContact CD1-CZ 3.63Å; Y1076-F2279 AromaticContact CE1-CE1 3.5Å; Y1076-F2279 HydrophobicContact CE1-CE1 3.5Å; Y1076-F2279 VanDerWaalsContact CE1-CE1 3.5Å; Y1076-F2279 AromaticContact CE1-CZ 3.48Å; Y1076-F2279 HydrophobicContact CE1-CZ 3.48Å; Y1076-F2279 VanDerWaalsContact CE1-CZ 3.48Å; Q1077-F2279 VanDerWaalsContact NE2-CD2 3.28Å; Q1077-F2279 VanDerWaalsContact NE2-CZ 3.29Å; I1080-F2279 HydrophobicContact CD1-CZ 4.4Å; R2275-F2279 WeakPolarHBondContact O-CD2 3.26Å; R2275-F2279 PolarHBondContact O-N 2.64Å; T2276-F2279 PolarHBondContact O-N 3.41Å; F2279-N2281 PolarHBondContact O-N 2.94Å; F2279-K2282 PolarHBondContact O-N 3.48Å; F2279-K2282 VanDerWaalsContact O-N 3.16Å |
| 2280 | E | 33.6 | Very low | 34.6 | Very low | 157 Ų | 157 | 109 Ų | 109 | 73% | 0.734 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.6 | -28.5 | 176.9 | -68 | -173 | 128.1 | 0 | 0 | 112.2 | T2276 K2282 | T2276-E2280 PolarHBondContact O-N 3.49Å; E2280-K2282 VanDerWaalsContact C-N 3.34Å; E2280-K2282 PolarHBondContact O-N 2.8Å |
| 2281 | N | 33.1 | Very low | 33.6 | Very low | 129 Ų | 129 | 111.8 Ų | 111.8 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 5.3 | 178.5 | -85.3 | -19.5 | 0 | 0 | 0 | 115.3 | F2279 | F2279-N2281 PolarHBondContact O-N 2.94Š|
| 2282 | K | 29.4 | Very low | 32.5 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 7.1 | 179.2 | -126.2 | 173.4 | -175.1 | 172.4 | 0 | 115 | W2278 F2279 E2280 | W2278-K2282 HydrophobicContact CH2-CD 4.43Å; W2278-K2282 HydrophobicContact CZ3-CD 4.17Å; F2279-K2282 PolarHBondContact O-N 3.48Å; F2279-K2282 VanDerWaalsContact O-N 3.16Å; E2280-K2282 VanDerWaalsContact C-N 3.34Å; E2280-K2282 PolarHBondContact O-N 2.8Å |
| 2283 | H | 30 | Very low | 31.5 | Very low | 159 Ų | 159 | 118 Ų | 118 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -106.3 | 24 | 178.6 | -83.3 | -61.8 | 0 | 0 | 0 | 115 | ||
| 2284 | Q | 25.3 | Very low | 30.8 | Very low | 178 Ų | 178 | 122 Ų | 122 | 83% | 0.832 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -120.2 | 153.9 | 159 | -68.8 | -170.8 | -0.4 | 0 | 0 | 109.9 | ||
| 2285 | V | 25.1 | Very low | 30.1 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 84% | 0.836 | 68% | 0.675 | S | S | * | * | trans | 75 | 77.7 | -176.8 | -165.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2286 | Q | 25 | Very low | 29.4 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | -175.6 | 144.1 | 137.4 | -98.8 | 173.1 | 53.6 | 0 | 0 | 106.9 | ||||
| 2287 | S | 24.5 | Very low | 28.5 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | cis | -157.6 | -147.1 | 1.4 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2288 | P | 32.5 | Very low | 27.9 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | -132.3 | 178.6 | -92.2 | 41.4 | -25 | 0 | 0 | 0 | 115.7 | |||||
| 2289 | S | 24.9 | Very low | 27.6 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -165.2 | 150.9 | 153.5 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2290 | S | 23.4 | Very low | 27.3 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | 172.3 | 86 | -52.4 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 2291 | S | 26.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -176.1 | 124.2 | 165.4 | 50.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2292 | L | 23.1 | Very low | 26.9 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | cis | 83.9 | 67.4 | 24.2 | -142.8 | 175.6 | 0 | 0 | 0 | 114.8 | ||||
| 2293 | S | 25.7 | Very low | 26.8 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -167.1 | 115.6 | 151.2 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2294 | L | 29.2 | Very low | 26.7 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -81.4 | 148.6 | 139.8 | -87.4 | 158.6 | 0 | 0 | 0 | 106.4 | ||||
| 2295 | P | 29.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | -158.6 | 151.9 | 84.9 | 41.9 | -21.9 | 0 | 0 | 0 | 119.2 | |||||
| 2296 | R | 24.4 | Very low | 27 | Very low | 216 Ų | 216 | 136.8 Ų | 136.8 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | 45.1 | 134.5 | 130.1 | -71.3 | -170.9 | 166.7 | 170.7 | -4.9 | 124.6 | ||||
| 2297 | N | 24.4 | Very low | 27.1 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | 72 | 157.9 | 127.4 | -68.4 | 35.7 | 0 | 0 | 0 | 120.3 | |||||
| 2298 | A | 26.3 | Very low | 27.1 | Very low | 64 Ų | 64 | 139.1 Ų | 139.1 | 53% | 0.529 | 77% | 0.768 | S | S | . | * | cis | -174.2 | -173.5 | -24 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2299 | E | 28.1 | Very low | 26.7 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | 70.5 | 146.1 | 151.6 | -74.9 | 140.1 | -129.9 | 0 | 0 | 118.4 | ||||
| 2300 | T | 28.9 | Very low | 26.7 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | cis | -167.3 | 151.2 | -18.2 | 14.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2301 | V | 29.5 | Very low | 26.8 | Very low | 133 Ų | 133 | 145 Ų | 145 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | 68.9 | 162.4 | 148.6 | 174.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2302 | D | 28.6 | Very low | 26.7 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -65.2 | 169.8 | -171.3 | -57.1 | -78.6 | 0 | 0 | 0 | 116.1 | ||||
| 2303 | D | 27.4 | Very low | 26.8 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -54.6 | 141.9 | -168.2 | -67.6 | -68.2 | 0 | 0 | 0 | 116.8 | ||||
| 2304 | D | 29 | Very low | 26.6 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | -155.2 | 138.4 | 117.2 | -133.7 | -13.2 | 0 | 0 | 0 | 114.9 | |||||
| 2305 | V | 28.1 | Very low | 26.5 | Very low | 94 Ų | 94 | 146 Ų | 146 | 57% | 0.57 | 75% | 0.749 | S | S | * | * | trans | 57.6 | 103.4 | 158 | -167.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2306 | K | 28 | Very low | 26.3 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | 70.4 | 151.2 | 145.3 | -65.6 | 169.2 | -164.5 | 158.7 | 0 | 119.9 | ||||
| 2307 | S | 27 | Very low | 26.9 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | cis | -172.5 | 131.2 | -20.5 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2308 | W | 25.1 | Very low | 27 | Very low | 248 Ų | 248 | 141.9 Ų | 141.9 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | trans | 65.9 | 169.3 | 151.3 | -64.6 | 33 | 0 | 0 | 0 | 118.4 | ||||
| 2309 | N | 24.2 | Very low | 26.9 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | -161.7 | 157.8 | -55.5 | -151.3 | -11.9 | 0 | 0 | 0 | 110.8 | |||||
| 2310 | Y | 24.2 | Very low | 26.8 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | trans | 66 | 139.2 | 157.4 | -75.6 | -56.9 | 0 | 0 | 0 | 125.4 | ||||
| 2311 | Q | 25.7 | Very low | 26.6 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 71.1 | 106.8 | 136 | -72.6 | 169.6 | 4.4 | 0 | 0 | 123.8 | ||||
| 2312 | N | 25 | Very low | 26.4 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | 47.2 | 147.2 | 106.7 | -91.7 | -8.1 | 0 | 0 | 0 | 123.6 | |||||
| 2313 | L | 24.1 | Very low | 26.2 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | trans | 89.9 | 98.2 | 154.7 | -72.4 | 162.5 | 0 | 0 | 0 | 121.4 | ||||
| 2314 | S | 22.8 | Very low | 26.2 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | 90.6 | 159.6 | 120.5 | 80 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 2315 | Q | 27.2 | Very low | 26.1 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | trans | 84.1 | 161.4 | 165.2 | -57.8 | -171.3 | 35.7 | 0 | 0 | 119.9 | ||||
| 2316 | V | 25.2 | Very low | 26.1 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -171.8 | 155.6 | -143.4 | 163.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 2317 | P | 36.4 | Very low | 26.1 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | cis | -135.3 | -158.3 | 6.3 | 24.9 | 3.3 | 0 | 0 | 0 | 114.5 | ||||
| 2318 | L | 26.1 | Very low | 26 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | trans | 104.1 | 113.4 | 141.2 | -73.6 | 164.6 | 0 | 0 | 0 | 122.2 | ||||
| 2319 | R | 24.8 | Very low | 26.3 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | 72.5 | 137.2 | 132.2 | -86.1 | 176 | 172.4 | -129.9 | 9.4 | 122.9 | ||||
| 2320 | Q | 25.3 | Very low | 26.4 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | trans | 71 | 118.5 | 142.2 | -70 | 177.1 | -86.3 | 0 | 0 | 116.2 | ||||
| 2321 | S | 24.3 | Very low | 26.8 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | 65 | 135.1 | 70 | 78 | 0 | 0 | 0 | 0 | 113 | |||||
| 2322 | S | 25.4 | Very low | 26.8 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | cis | -169.6 | 172.1 | 0.7 | 38.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 2323 | E | 26.1 | Very low | 27.1 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | trans | 66.5 | 161.4 | 156.3 | -70 | 147.3 | 167.6 | 0 | 0 | 116 | ||||
| 2324 | D | 27 | Very low | 27.3 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | cis | -157 | 146.2 | -17.2 | -128.4 | 15 | 0 | 0 | 0 | 114.8 | ||||
| 2325 | N | 26.4 | Very low | 27.4 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 52.5 | 172.1 | 136.2 | -80 | -46.4 | 0 | 0 | 0 | 124.9 | ||||
| 2326 | I | 27.8 | Very low | 27.5 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | 80.9 | 129 | 167.1 | -48.9 | -178.7 | 0 | 0 | 0 | 114.9 | ||||
| 2327 | S | 27.7 | Very low | 27.5 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | -150 | 138.7 | -2.3 | 45.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2328 | Q | 26 | Very low | 27.2 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | 8 | 139.5 | 131.9 | -52.9 | 179.5 | 3.6 | 0 | 0 | 121.7 | ||||
| 2329 | T | 30.1 | Very low | 27.5 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | -159.8 | 146.1 | 124.4 | 18.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2330 | S | 26.8 | Very low | 27.5 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 0.7 | 152.6 | 157.6 | 60.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 2331 | T | 32.2 | Very low | 27.6 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | cis | -150 | 135.4 | 32.8 | 37.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2332 | S | 26.5 | Very low | 27.8 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | 44.2 | 136.3 | 99.6 | 85.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 2333 | Q | 30.5 | Very low | 27.9 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | cis | -152.4 | 178 | 41.6 | -70.8 | -168.5 | -3.9 | 0 | 0 | 117.1 | ||||
| 2334 | N | 28.9 | Very low | 28.1 | Very low | 119 Ų | 119 | 148 Ų | 148 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -47.3 | 142 | 171.7 | -72 | -65.3 | 0 | 0 | 0 | 117.5 | ||||
| 2335 | R | 24.2 | Very low | 28.3 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | 76 | 164.9 | 97.4 | -57.9 | -178.4 | -172.5 | -159.3 | 0.6 | 116.9 | |||||
| 2336 | Y | 28.9 | Very low | 28.5 | Very low | 228 Ų | 228 | 148.2 Ų | 148.2 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | trans | 66.7 | 156.9 | -172.7 | -49.3 | -85.2 | 0 | 0 | 0 | 112.1 | ||||
| 2337 | G | 26.8 | Very low | 28.7 | Very low | 72 Ų | 72 | 149 Ų | 149 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | cis | 162 | 126.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2338 | R | 30.2 | Very low | 28.8 | Very low | 233 Ų | 233 | 149.6 Ų | 149.6 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -64.6 | 153 | 174.2 | -103.5 | -171.1 | 176.9 | -159.8 | 1.5 | 110.5 | ||||
| 2339 | P | 31 | Very low | 28.9 | Very low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | cis | -142.2 | -153 | 49.5 | 41.4 | -20.7 | 0 | 0 | 0 | 116.4 | ||||
| 2340 | R | 24.8 | Very low | 28.9 | Very low | 209 Ų | 209 | 149 Ų | 149 | 79% | 0.789 | 75% | 0.748 | S | S | * | * | trans | -84.2 | 165.3 | -174.4 | -59.2 | 169.6 | 165.4 | 160.5 | -9.1 | 113.3 | ||||
| 2341 | F | 28.3 | Very low | 28.9 | Very low | 180 Ų | 180 | 149 Ų | 149 | 79% | 0.789 | 75% | 0.748 | S | S | * | * | -175.5 | 135.2 | 107.7 | -106.7 | -83.5 | 0 | 0 | 0 | 111.6 | |||||
| 2342 | D | 27.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | 36.6 | 152.8 | 137.9 | -67.9 | 28 | 0 | 0 | 0 | 123.4 | ||||
| 2343 | N | 28.4 | Very low | 28.7 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | cis | -171.5 | 177.5 | -16.3 | -167.1 | 6.6 | 0 | 0 | 0 | 110.5 | ||||
| 2344 | H | 30.8 | Very low | 28.7 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | trans | 89.1 | 120.8 | 160 | -69.9 | -58.9 | 0 | 0 | 0 | 123.9 | ||||
| 2345 | N | 30.6 | Very low | 28.3 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | 58.3 | 148.3 | 130.7 | -54.2 | 2.4 | 0 | 0 | 0 | 120.5 | ||||
| 2346 | N | 31.4 | Very low | 28.3 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -154.2 | 150.8 | 12.8 | -135.1 | -12.9 | 0 | 0 | 0 | 112.5 | ||||
| 2347 | K | 31 | Very low | 28.1 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | trans | 23.9 | 137.2 | 156.2 | -67.4 | -178.9 | -178.9 | -174.1 | 0 | 122.8 | ||||
| 2348 | T | 29.1 | Very low | 27.9 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | -176.7 | -154.5 | -25.8 | 21.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 2349 | E | 27.9 | Very low | 27.6 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -161.3 | -36 | 8 | -156.3 | 137.3 | -60.4 | 0 | 0 | 118.3 | ||||
| 2350 | I | 30.1 | Very low | 27.3 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | -121.9 | 135.5 | -161.4 | -69.9 | 168.2 | 0 | 0 | 0 | 111.6 | ||||
| 2351 | S | 28.4 | Very low | 27.7 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | cis | -165.6 | -175.9 | -10.4 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2352 | K | 29.5 | Very low | 27.6 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | -138.6 | 148.3 | -76.3 | -110.7 | 179.6 | -179 | 173.9 | 0 | 108.8 | |||||
| 2353 | S | 24.1 | Very low | 27.6 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -162.9 | -171.9 | -176.6 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2354 | I | 29.9 | Very low | 27.5 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | 91 | 149.5 | 164.3 | -60.4 | 153.7 | 0 | 0 | 0 | 117.2 | ||||
| 2355 | S | 21.6 | Very low | 27.3 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | -132.8 | 164.2 | 179.8 | -49 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2356 | Y | 24.1 | Very low | 27.3 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 76 | 93.2 | 165.3 | -64.6 | -71.2 | 0 | 0 | 0 | 121.2 | ||||
| 2357 | S | 23.5 | Very low | 27.1 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | 52.8 | 122.1 | 121.8 | 66.1 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 2358 | L | 24.1 | Very low | 27.3 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | 175.6 | 151 | 104 | -96 | 163.7 | 0 | 0 | 0 | 115.5 | |||||
| 2359 | Q | 24.1 | Very low | 27.1 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 76.7 | 144.3 | 156.6 | -73 | 178.4 | -20.9 | 0 | 0 | 123.3 | ||||
| 2360 | H | 24.4 | Very low | 27.2 | Very low | 188 Ų | 188 | 148.8 Ų | 148.8 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -100.8 | -168.2 | 174.7 | -67.2 | -91.8 | 0 | 0 | 0 | 109.8 | ||||
| 2361 | P | 32.5 | Very low | 27.2 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -144.8 | 173.5 | 3.9 | 44.8 | -25.9 | 0 | 0 | 0 | 119.2 | ||||
| 2362 | I | 26.4 | Very low | 27.2 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 61.9 | 135.2 | 140.6 | -75 | 166.5 | 0 | 0 | 0 | 118.7 | ||||
| 2363 | Q | 27.4 | Very low | 27.1 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | cis | -153.7 | 176 | 11.9 | -134.6 | 163.8 | 6 | 0 | 0 | 114.1 | ||||
| 2364 | S | 27.2 | Very low | 27.5 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -52.4 | 172.2 | 174.1 | 56.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2365 | R | 26.6 | Very low | 27.3 | Very low | 237 Ų | 237 | 145.5 Ų | 145.5 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | cis | -171.7 | 157.2 | -0.1 | -121.1 | 173.3 | 179.2 | -177.7 | -0.7 | 108.5 | ||||
| 2366 | L | 29.5 | Very low | 27.7 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 95% | 0.953 | 77% | 0.765 | S | S | * | * | trans | 178.9 | 162.3 | 138.5 | -105.5 | 168.1 | 0 | 0 | 0 | 113.7 | ||||
| 2367 | G | 27.5 | Very low | 27.9 | Very low | 57 Ų | 57 | 145.1 Ų | 145.1 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | trans | 172.8 | 160.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2368 | P | 35.5 | Very low | 28 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -97.8 | 142.9 | 172.6 | 35.7 | -29.3 | 0 | 0 | 0 | 111.8 | ||||
| 2369 | Q | 25.8 | Very low | 28.1 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | cis | 87.3 | 158.9 | 48.3 | -79.5 | -165.1 | -31.6 | 0 | 0 | 114.7 | ||||
| 2370 | I | 29.4 | Very low | 28.3 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | trans | 75.3 | 116.8 | -144.8 | -55.5 | 176.9 | 0 | 0 | 0 | 109.3 | ||||
| 2371 | I | 29.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | cis | -140.8 | -125.7 | -2.8 | -165.3 | 159 | 0 | 0 | 0 | 112.4 | ||||
| 2372 | E | 27.7 | Very low | 28.1 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | trans | -138.8 | 162.2 | -154.2 | -66 | 160.7 | 165.3 | 0 | 0 | 109.7 | ||||
| 2373 | S | 29.2 | Very low | 28.2 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | cis | -161.9 | 175.7 | 0.9 | 37.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 2374 | D | 30.8 | Very low | 28 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | cis | -149.9 | 160.2 | -4.7 | -121.8 | 21.7 | 0 | 0 | 0 | 107.6 | ||||
| 2375 | L | 27.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 63% | 0.628 | 74% | 0.741 | S | S | * | * | 56.9 | 134.3 | 74.1 | -49 | -177.4 | 0 | 0 | 0 | 115.5 | |||||
| 2376 | N | 29.5 | Very low | 27.8 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | cis | -130.4 | 157.2 | 5.1 | -80.5 | -69.8 | 0 | 0 | 0 | 111.4 | ||||
| 2377 | R | 27.3 | Very low | 27.5 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 68% | 0.683 | 72% | 0.72 | S | S | * | * | cis | 106.6 | 147.2 | 13.8 | -157.3 | -175.5 | -165.7 | -112.2 | 0.3 | 114.7 | ||||
| 2378 | L | 27.5 | Very low | 27.3 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 45% | 0.445 | 73% | 0.726 | S | S | . | * | trans | 78.9 | 166.9 | 174.8 | -49.7 | -180 | 0 | 0 | 0 | 115.2 | ||||
| 2379 | Q | 25.8 | Very low | 26.8 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 64% | 0.64 | 72% | 0.721 | S | S | * | * | cis | -150 | 62.1 | 8.8 | -153.5 | 179.6 | -96.7 | 0 | 0 | 117.7 | ||||
| 2380 | I | 26.7 | Very low | 26.6 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | 75.2 | 173.2 | 144.4 | -46.2 | 153.4 | 0 | 0 | 0 | 117.6 | ||||
| 2381 | I | 29.7 | Very low | 26.3 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | 82.6 | 130.3 | 165 | -48 | 179.2 | 0 | 0 | 0 | 115.6 | ||||
| 2382 | S | 23.7 | Very low | 26.2 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | cis | -174.3 | 158.7 | -27 | -94.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 2383 | G | 28.5 | Very low | 26 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | trans | 124.8 | 104.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2384 | T | 23.6 | Very low | 25.9 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | 33.7 | 126.3 | 129.5 | 55 | 0 | 0 | 0 | 0 | 121 | |||||
| 2385 | T | 24.4 | Very low | 25.6 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | 62.1 | 120.4 | 141.8 | 58.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2386 | G | 24.2 | Very low | 25.7 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | 100.2 | 117.9 | 131.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2387 | S | 23.7 | Very low | 25.5 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | 70.2 | 150.6 | 152.3 | 78.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 2388 | S | 22.7 | Very low | 25.5 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 80.6 | 159.6 | 143 | -145.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2389 | V | 25 | Very low | 25.2 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 58.4 | 91.7 | 169.7 | -165.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2390 | E | 22.8 | Very low | 25.4 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | 80.7 | 145.9 | 69.9 | -74.4 | -176.8 | 86 | 0 | 0 | 116.7 | |||||
| 2391 | S | 23 | Very low | 25.3 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 64.7 | 101.9 | 150.9 | -73.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2392 | I | 26.2 | Very low | 25 | Very low | 154 Ų | 154 | 133 Ų | 133 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | -162.3 | 101.3 | 118.4 | -97 | 148.4 | 0 | 0 | 0 | 106.8 | |||||
| 2393 | R | 23.8 | Very low | 25.1 | Very low | 211 Ų | 211 | 133.4 Ų | 133.4 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | 71.1 | 95.2 | 82.3 | -176.3 | -156.9 | -70.9 | -177.5 | -2.2 | 113.9 | |||||
| 2394 | V | 27 | Very low | 25.1 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | -136.2 | 142.6 | 129.2 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 2395 | K | 24.6 | Very low | 25.1 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -82.9 | 147.7 | -171.3 | -50.9 | 165 | -179.1 | 176.2 | 0 | 112.5 | ||||
| 2396 | K | 30.2 | Very low | 25.1 | Very low | 207 Ų | 207 | 133 Ų | 133 | 90% | 0.9 | 72% | 0.721 | S | S | * | * | -157 | 139.3 | 123.9 | -114 | 173.9 | -177.4 | 179.6 | 0 | 112.1 | |||||
| 2397 | S | 24.4 | Very low | 25 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -82.8 | 169.1 | 174.1 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2398 | V | 28 | Very low | 25 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | -146.1 | 154.6 | 56.2 | 171 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2399 | S | 22.3 | Very low | 25 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | trans | -78.3 | 157.3 | -178.7 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2400 | F | 29.1 | Very low | 25.1 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 91% | 0.912 | 71% | 0.706 | S | S | * | * | -142.7 | 147.4 | 120.6 | -122.1 | -79.8 | 0 | 0 | 0 | 110.8 | |||||
| 2401 | D | 23.7 | Very low | 25.2 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 53% | 0.529 | 70% | 0.702 | S | S | . | * | trans | -119.8 | 155.7 | -173.9 | -156.4 | 14.5 | 0 | 0 | 0 | 111.6 | ||||
| 2402 | K | 25 | Very low | 25.4 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 64% | 0.635 | 69% | 0.694 | S | S | * | * | trans | -0.4 | 134.4 | 171.2 | -58.4 | 155 | -164.5 | 75.5 | 0 | 119 | ||||
| 2403 | N | 25.3 | Very low | 25.4 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | 177.6 | 163.6 | 110.8 | -85.9 | -25.5 | 0 | 0 | 0 | 112.5 | |||||
| 2404 | L | 28.6 | Very low | 25.5 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 86% | 0.859 | 66% | 0.656 | S | S | * | * | trans | 97.8 | 97.4 | -162.6 | -64.8 | 163.1 | 0 | 0 | 0 | 110.9 | ||||
| 2405 | E | 23.8 | Very low | 25.6 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 41% | 0.407 | 63% | 0.632 | S | S | . | * | cis | 53.8 | 79.2 | 11.4 | -87.6 | -172.9 | -173.2 | 0 | 0 | 115 | R837 | R837-E2405 IonicContact CZ-OE1 3.03Å; R837-E2405 IonicContact NH1-OE1 2.68Å; R837-E2405 PolarHBondContact NH1-OE1 3.21Å; R837-E2405 IonicContact NH1-OE2 2.74Å; R837-E2405 IonicContact NH2-OE1 2.74Å; R837-E2405 PolarHBondContact NH2-OE1 2.99Å; R837-E2405 IonicContact NH2-OE2 3.31Å | ||
| 2406 | T | 23.5 | Very low | 25.9 | Very low | 68 Ų | 68 | 113.1 Ų | 113.1 | 42% | 0.417 | 62% | 0.624 | S | S | . | * | trans | 58.8 | 118.2 | 131.7 | 56.5 | 0 | 0 | 0 | 0 | 122.4 | E1151 | E1151-T2406 WeakPolarHBondContact OE2-CG2 3.17Š| ||
| 2407 | I | 22.1 | Very low | 25.8 | Very low | 145 Ų | 145 | 108.9 Ų | 108.9 | 74% | 0.744 | 61% | 0.607 | S | S | * | * | 56.2 | 119 | 120.2 | -55.2 | 162.7 | 0 | 0 | 0 | 118.5 | |||||
| 2408 | S | 25 | Very low | 26 | Very low | 124 Ų | 124 | 106.5 Ų | 106.5 | 87% | 0.867 | 60% | 0.6 | S | S | * | * | trans | -150.6 | 71.1 | 137.3 | 40.9 | 0 | 0 | 0 | 0 | 111.7 | Y2410 | S2408-Y2410 PolarHBondContact O-N 2.82Š| ||
| 2409 | V | 22.4 | Very low | 26 | Very low | 58 Ų | 58 | 104.9 Ų | 104.9 | 35% | 0.352 | 60% | 0.595 | S | S | . | * | trans | -76.8 | 114.8 | 156.2 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | Q1136 | Q1136-V2409 HydrophobicContact CG-CG2 3.45Å; Q1136-V2409 VanDerWaalsContact CG-CG2 3.45Å | ||
| 2410 | Y | 25.8 | Very low | 26.2 | Very low | 136 Ų | 136 | 109.3 Ų | 109.3 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | trans | -172.8 | 90.2 | 137.2 | -103.5 | -64.2 | 0 | 0 | 0 | 110.8 | R1304 Q1306 S2408 | R1304-Y2410 PolarHBondContact NE-OH 2.7Å; R1304-Y2410 VanDerWaalsContact NE-OH 3.1Å; R1304-Y2410 PolarHBondContact NH2-OH 3.29Å; Q1306-Y2410 VanDerWaalsContact NE2-CD1 3.35Å; S2408-Y2410 PolarHBondContact O-N 2.82Å | ||
| 2411 | S | 26.1 | Very low | 26.4 | Very low | 101 Ų | 101 | 105 Ų | 105 | 71% | 0.706 | 59% | 0.588 | S | S | * | * | trans | -75.1 | 143 | 152.9 | -52.8 | 0 | 0 | 0 | 0 | 109.7 | Q1306 | Q1306-S2411 PolarHBondContact NE2-O 2.83Š| ||
| 2412 | P | 26.3 | Very low | 26.6 | Very low | 82 Ų | 82 | 107 Ų | 107 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | trans | -108 | 161.4 | 155.8 | 2.8 | 19.7 | 0 | 0 | 0 | 111.4 | P1307 | P1307-P2412 HydrophobicContact CG-CB 4.08Š| ||
| 2413 | P | 27 | Very low | 26.9 | Very low | 25 Ų | 25 | 107.1 Ų | 107.1 | 16% | 0.162 | 60% | 0.597 | C | S | . | * | -133.4 | -143.1 | -102.4 | 25.2 | 1.2 | 0 | 0 | 0 | 112.4 | Q1306 P1307 K1309 | Q1306-P2413 VanDerWaalsContact C-CG 3.48Å; Q1306-P2413 HydrophobicContact CB-CB 4.34Å; Q1306-P2413 HydrophobicContact CB-CG 3.51Å; Q1306-P2413 HydrophobicContact CG-CG 3.91Å; Q1306-P2413 VanDerWaalsContact OE1-CB 3.32Å; P1307-P2413 VanDerWaalsContact O-CD 3.25Å; P1307-P2413 WeakPolarHBondContact O-CD 3.34Å; K1309-P2413 WeakPolarHBondContact CA-O 3.5Å; K1309-P2413 VanDerWaalsContact CB-O 3.28Å; K1309-P2413 WeakPolarHBondContact CB-O 3.38Å; K1309-P2413 PolarHBondContact N-O 3.13Å | |||
| 2414 | T | 25.8 | Very low | 27 | Very low | 103 Ų | 103 | 107.2 Ų | 107.2 | 63% | 0.632 | 59% | 0.593 | S | S | * | * | trans | -145.8 | 101.6 | -167.8 | 57.2 | 0 | 0 | 0 | 0 | 122.4 | N1308 K1309 | N1308-T2414 PolarHBondContact OD1-N 3.39Å; K1309-T2414 VanDerWaalsContact C-CA 3.46Å; K1309-T2414 VanDerWaalsContact N-CA 3.29Å; K1309-T2414 WeakPolarHBondContact O-CA 3.2Å; K1309-T2414 VanDerWaalsContact O-CB 3.27Å; K1309-T2414 WeakPolarHBondContact O-CB 3.3Å; K1309-T2414 WeakPolarHBondContact O-CG2 3.34Å | ||
| 2415 | T | 29.3 | Very low | 27.1 | Very low | 65 Ų | 65 | 104.5 Ų | 104.5 | 40% | 0.399 | 58% | 0.584 | S | S | . | * | trans | -160.4 | -179.3 | 161.7 | 74.3 | 0 | 0 | 0 | 0 | 114 | N1308 K1309 S1310 | N1308-T2415 HydrophobicContact CB-CG2 4.27Å; N1308-T2415 WeakPolarHBondContact CB-OG1 3.31Å; N1308-T2415 PolarHBondContact ND2-OG1 3Å; K1309-T2415 CarbonylContact C-O 3.58Å; S1310-T2415 WeakPolarHBondContact CB-O 3.48Å; S1310-T2415 PolarHBondContact N-O 3.49Å; S1310-T2415 PolarHBondContact OG-O 3.49Å; S1310-T2415 VanDerWaalsContact OG-O 3.07Å | ||
| 2416 | P | 31 | Very low | 27.2 | Very low | 98 Ų | 98 | 107.1 Ų | 107.1 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | -117.1 | 118.3 | -91.5 | 34.3 | -13 | 0 | 0 | 0 | 117.6 | S1310 | S1310-P2416 VanDerWaalsContact CB-CA 3.47Å; S1310-P2416 WeakPolarHBondContact OG-CA 3.14Å | |||
| 2417 | H | 26.8 | Very low | 27.6 | Very low | 117 Ų | 117 | 110.1 Ų | 110.1 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | 25.3 | 141.9 | 129.3 | -141 | -99.1 | 0 | 0 | 0 | 123.1 | S1310 L1311 N1312 | S1310-H2417 PolarHBondContact OG-N 3.27Å; L1311-H2417 HydrophobicContact CB-CB 3.91Å; L1311-H2417 VanDerWaalsContact CB-CD2 3.42Å; L1311-H2417 WeakPolarHBondContact CB-CD2 3.25Å; L1311-H2417 HydrophobicContact CD2-CB 3.45Å; L1311-H2417 VanDerWaalsContact CD2-CB 3.45Å; L1311-H2417 HydrophobicContact CG-CB 4.14Å; N1312-H2417 PolarHBondContact ND2-CE1 3.24Å; N1312-H2417 VanDerWaalsContact ND2-CE1 3.27Å; N1312-H2417 PolarHBondContact ND2-NE2 3.07Å | |||
| 2418 | G | 29.1 | Very low | 28 | Very low | 60 Ų | 60 | 111 Ų | 111 | 62% | 0.619 | 61% | 0.605 | S | S | * | * | trans | 130.6 | 68 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2419 | S | 27.8 | Very low | 28.1 | Very low | 101 Ų | 101 | 109.2 Ų | 109.2 | 71% | 0.706 | 59% | 0.593 | S | S | * | * | 71.5 | 115.9 | 82.6 | 74.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 2420 | F | 27.1 | Very low | 28.3 | Very low | 186 Ų | 186 | 114.8 Ų | 114.8 | 82% | 0.816 | 62% | 0.615 | S | S | * | * | trans | -162.6 | 123.8 | 139.7 | -118.5 | -110.2 | 0 | 0 | 0 | 104.7 | ||||
| 2421 | I | 32.5 | Very low | 28.4 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 61% | 0.61 | 63% | 0.63 | S | S | * | * | 74.8 | 130.6 | 106 | -75.1 | -153.3 | 0 | 0 | 0 | 113.4 | |||||
| 2422 | E | 28.6 | Very low | 28.8 | Very low | 141 Ų | 141 | 116.3 Ų | 116.3 | 66% | 0.659 | 63% | 0.626 | S | S | * | * | cis | -154.6 | 149.2 | 3.9 | -118.5 | 169.9 | -176 | 0 | 0 | 110.6 | ||||
| 2423 | H | 30.2 | Very low | 28.8 | Very low | 147 Ų | 147 | 119 Ų | 119 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | 59.4 | 149.6 | 105.9 | -74.9 | -133 | 0 | 0 | 0 | 117.2 | |||||
| 2424 | E | 28.1 | Very low | 28.8 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 58% | 0.579 | 67% | 0.665 | S | S | * | * | cis | -159.4 | 143.7 | -14.4 | -113.8 | -171.9 | 122.7 | 0 | 0 | 108.5 | ||||
| 2425 | T | 30.3 | Very low | 28.9 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 66% | 0.663 | 66% | 0.662 | S | S | * | * | 53.9 | 152.2 | 97.2 | 84.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 2426 | M | 27 | Very low | 28.8 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | cis | -136.8 | -148.8 | 18.7 | -54 | 179.6 | -170.1 | 0 | 0 | 111.3 | ||||
| 2427 | H | 31 | Very low | 29 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 61% | 0.606 | 69% | 0.688 | S | S | * | * | cis | -161.1 | 177.4 | 0.7 | -139.4 | 27 | 0 | 0 | 0 | 114.6 | ||||
| 2428 | K | 30.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | trans | -1.1 | 157.9 | 150.9 | -74.8 | 179.2 | -167.4 | 149 | 0 | 123.1 | ||||
| 2429 | S | 27 | Very low | 29.5 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | cis | -171.3 | 168 | -0.5 | 42.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2430 | Q | 28.2 | Very low | 29.8 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | 71.8 | 140.1 | 164.1 | -69.4 | 157.4 | -23.2 | 0 | 0 | 116.9 | ||||
| 2431 | M | 26.4 | Very low | 29.7 | Very low | 173 Ų | 173 | 132 Ų | 132 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | cis | 91.9 | 142.6 | 25.6 | -70.6 | -74 | 176.9 | 0 | 0 | 114.9 | ||||
| 2432 | P | 35.3 | Very low | 29.6 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | cis | -145.5 | 178 | -17.5 | 40.9 | -21.7 | 0 | 0 | 0 | 117.9 | ||||
| 2433 | N | 25.2 | Very low | 29.7 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | 81.5 | 145.4 | 136.9 | -84.7 | -7.2 | 0 | 0 | 0 | 126.6 | ||||
| 2434 | I | 28.4 | Very low | 29.4 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 75.4 | 135.4 | 143.6 | -74.8 | 165.4 | 0 | 0 | 0 | 118.8 | ||||
| 2435 | S | 27.7 | Very low | 29.3 | Very low | 82 Ų | 82 | 130.3 Ų | 130.3 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | cis | -172.4 | 159.9 | -14.9 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2436 | L | 27.1 | Very low | 29 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | trans | 66.2 | 155 | 158.9 | -62.8 | 158.8 | 0 | 0 | 0 | 116.2 | ||||
| 2437 | T | 35.5 | Very low | 28.8 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | cis | -126.5 | 177.5 | 6.8 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2438 | S | 36.6 | Very low | 28.6 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | trans | 21.1 | 124.9 | 158.4 | 54.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2439 | G | 29.8 | Very low | 28.3 | Very low | 74 Ų | 74 | 112.8 Ų | 112.8 | 76% | 0.763 | 66% | 0.658 | S | S | * | * | cis | 125.2 | 152.2 | 3.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2440 | P | 33.1 | Very low | 28.2 | Very low | 123 Ų | 123 | 112.7 Ų | 112.7 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | cis | -106.8 | 141.7 | -3.2 | 36.6 | -26.9 | 0 | 0 | 0 | 113.6 | ||||
| 2441 | K | 26.2 | Very low | 28.2 | Very low | 204 Ų | 204 | 108.4 Ų | 108.4 | 89% | 0.887 | 64% | 0.64 | S | S | * | * | trans | -102 | 114.2 | 155.6 | -77.3 | 176.9 | 179.3 | 168.2 | 0 | 108.4 | ||||
| 2442 | N | 30.8 | Very low | 28.3 | Very low | 147 Ų | 147 | 102.7 Ų | 102.7 | 79% | 0.786 | 62% | 0.617 | S | S | * | * | trans | -141.8 | 142 | 163.5 | -79.5 | -27.8 | 0 | 0 | 0 | 106.2 | ||||
| 2443 | S | 28.8 | Very low | 27.9 | Very low | 103 Ų | 103 | 105.1 Ų | 105.1 | 72% | 0.72 | 62% | 0.615 | S | S | * | * | cis | -150.8 | 136.4 | -10.9 | 38.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 2444 | L | 25.4 | Very low | 28 | Very low | 133 Ų | 133 | 107.5 Ų | 107.5 | 70% | 0.696 | 62% | 0.618 | S | S | * | * | 70 | 122.5 | 68.7 | -70.1 | 170 | 0 | 0 | 0 | 115.9 | |||||
| 2445 | N | 25.3 | Very low | 28 | Very low | 112 Ų | 112 | 109.1 Ų | 109.1 | 60% | 0.599 | 62% | 0.62 | S | S | * | * | trans | 77.3 | 174.4 | 140 | -61.3 | -7.7 | 0 | 0 | 0 | 119.6 | P2515 | N2445-P2515 WeakPolarHBondContact O-CG 3.35Š| ||
| 2446 | S | 24.9 | Very low | 28 | Very low | 55 Ų | 55 | 110 Ų | 110 | 39% | 0.385 | 63% | 0.626 | S | S | . | * | cis | -170.9 | 142.9 | -22.3 | 38.2 | 0 | 0 | 0 | 0 | 113.7 | K2517 | S2446-K2517 CarbonylContact C-O 3.12Å; S2446-K2517 CarbonylContact O-C 3.6Å; S2446-K2517 VanDerWaalsContact O-C 3.32Å | ||
| 2447 | S | 22.6 | Very low | 28.1 | Very low | 38 Ų | 38 | 109.9 Ų | 109.9 | 27% | 0.266 | 63% | 0.626 | S | S | . | * | trans | 124.2 | -162.3 | 168.5 | -178.6 | 0 | 0 | 0 | 0 | 121.3 | K2517 M2520 R2521 | S2447-K2517 CarbonylContact C-O 3.57Å; S2447-K2517 VanDerWaalsContact C-O 3.32Å; S2447-K2517 WeakPolarHBondContact CA-O 3.18Å; S2447-K2517 VanDerWaalsContact CB-O 3.3Å; S2447-K2517 WeakPolarHBondContact CB-O 3.44Å; S2447-K2517 PolarHBondContact N-O 3.04Å; S2447-K2517 WeakPolarHBondContact O-CE 3.42Å; S2447-K2517 WeakPolarHBondContact O-CG 3.1Å; S2447-M2520 CarbonylContact C-O 3.55Å; S2447-M2520 VanDerWaalsContact CA-O 3.26Å; S2447-M2520 WeakPolarHBondContact CA-O 3.21Å; S2447-M2520 WeakPolarHBondContact CB-O 3.29Å; S2447-M2520 VanDerWaalsContact O-CB 3.31Å; S2447-M2520 WeakPolarHBondContact O-CB 3.42Å; S2447-M2520 PolarHBondContact OG-O 3.15Å; S2447-R2521 WeakPolarHBondContact OG-CA 3.45Å; S2447-R2521 WeakPolarHBondContact OG-CB 3.42Å | ||
| 2448 | S | 25.7 | Very low | 28.2 | Very low | 61 Ų | 61 | 109.6 Ų | 109.6 | 43% | 0.427 | 63% | 0.628 | S | S | . | * | trans | -113.3 | -49.6 | -167 | -40.1 | 0 | 0 | 0 | 0 | 128.6 | M2520 R2521 | S2448-M2520 PolarHBondContact N-O 2.75Å; S2448-M2520 WeakPolarHBondContact O-CB 2.85Å; S2448-R2521 WeakPolarHBondContact CB-O 3.4Å | ||
| 2449 | V | 24.6 | Very low | 28.7 | Very low | 21 Ų | 21 | 110 Ų | 110 | 13% | 0.127 | 63% | 0.628 | C | S | . | * | trans | -0.1 | 134.5 | 170 | 148.5 | 0 | 0 | 0 | 0 | 120 | K2519 M2520 R2521 L2522 | V2449-K2519 VanDerWaalsContact CB-C 3.44Å; V2449-K2519 VanDerWaalsContact CB-O 3.28Å; V2449-K2519 WeakPolarHBondContact CB-O 3.43Å; V2449-K2519 HydrophobicContact CG1-CB 4.35Å; V2449-K2519 WeakPolarHBondContact CG1-O 3.31Å; V2449-M2520 VanDerWaalsContact CA-CA 3.48Å; V2449-M2520 WeakPolarHBondContact O-CG 3.02Å; V2449-R2521 VanDerWaalsContact CA-N 3.34Å; V2449-R2521 VanDerWaalsContact N-CA 3.26Å; V2449-R2521 PolarHBondContact N-O 3.05Å; V2449-L2522 WeakPolarHBondContact CA-O 3.05Å; V2449-L2522 HydrophobicContact CG2-CB 3.68Å; V2449-L2522 HydrophobicContact CG2-CD1 3.72Å; V2449-L2522 HydrophobicContact CG2-CG 4.26Å; V2449-L2522 PolarHBondContact N-O 2.85Å | ||
| 2450 | N | 24.5 | Very low | 29.4 | Very low | 87 Ų | 87 | 111.2 Ų | 111.2 | 47% | 0.465 | 62% | 0.623 | S | S | . | * | -112.6 | -164.1 | 110.9 | -71.4 | -90.6 | 0 | 0 | 0 | 107.4 | F2523 | N2450-F2523 VanDerWaalsContact C-CB 3.47Å; N2450-F2523 HydrophobicContact CB-CB 3.79Å; N2450-F2523 HydrophobicContact CB-CD1 4.29Å; N2450-F2523 HydrophobicContact CB-CD2 3.87Å; N2450-F2523 HydrophobicContact CB-CE2 4.4Å; N2450-F2523 HydrophobicContact CB-CG 3.8Å; N2450-F2523 VanDerWaalsContact O-CA 3.26Å; N2450-F2523 WeakPolarHBondContact O-CA 3.41Å; N2450-F2523 WeakPolarHBondContact O-CB 3.29Å; N2450-F2523 PolarHBondContact O-N 3.02Å | |||
| 2451 | S | 28.2 | Very low | 29.3 | Very low | 84 Ų | 84 | 112.1 Ų | 112.1 | 59% | 0.587 | 62% | 0.619 | S | S | * | * | trans | -137.7 | 110.9 | 175.8 | 165.2 | 0 | 0 | 0 | 0 | 114.8 | Q2526 | S2451-Q2526 PolarHBondContact OG-NE2 3.41Å; S2451-Q2526 PolarHBondContact OG-OE1 2.76Å | ||
| 2452 | S | 29.7 | Very low | 29.8 | Very low | 52 Ų | 52 | 105.5 Ų | 105.5 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | trans | 79 | 150.1 | 143.3 | -150.8 | 0 | 0 | 0 | 0 | 123 | Q2526 | S2452-Q2526 WeakPolarHBondContact CA-O 3Š| ||
| 2453 | Y | 27 | Very low | 29.8 | Very low | 147 Ų | 147 | 106.4 Ų | 106.4 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | trans | -29 | 143.7 | 142.9 | -66.7 | -86.4 | 0 | 0 | 0 | 113.7 | Q2526 I2527 | Y2453-Q2526 WeakPolarHBondContact CD2-O 3.47Å; Y2453-Q2526 WeakPolarHBondContact CE2-O 3.15Å; Y2453-Q2526 PolarHBondContact N-O 2.72Å; Y2453-I2527 PolarHBondContact OH-O 2.9Å | ||
| 2454 | K | 27.3 | Very low | 30 | Very low | 190 Ų | 190 | 108.9 Ų | 108.9 | 83% | 0.826 | 61% | 0.607 | S | S | * | * | cis | 56.1 | 53.1 | 49.5 | -78.4 | -169.3 | 174 | 178.2 | 0 | 115.3 | ||||
| 2455 | K | 26.7 | Very low | 30.5 | Very low | 182 Ų | 182 | 108.3 Ų | 108.3 | 79% | 0.791 | 60% | 0.603 | S | S | * | * | -86 | 145.7 | 115.7 | -80.8 | -173.5 | 177.9 | -178.8 | 0 | 107.2 | |||||
| 2456 | S | 28.1 | Very low | 30.9 | Very low | 100 Ų | 100 | 110.8 Ų | 110.8 | 70% | 0.699 | 62% | 0.616 | S | S | * | * | cis | 57.1 | 102.2 | 7.8 | 77.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 2457 | L | 29.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 114 Ų | 114 | 86% | 0.859 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 78.1 | 125.8 | -170.4 | -56 | 171.1 | 0 | 0 | 0 | 114.8 | ||
| 2458 | S | 36.8 | Very low | 30.9 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 78% | 0.783 | 64% | 0.643 | S | S | * | * | trans | -71.5 | -172 | 175.3 | -19.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2459 | P | 47.5 | Very low | 30.8 | Very low | 120 Ų | 120 | 120.5 Ų | 120.5 | 78% | 0.779 | 65% | 0.654 | S | S | * | * | cis | -124.3 | -124.7 | -11 | 24.8 | 1.4 | 0 | 0 | 0 | 112.4 | ||||
| 2460 | P | 44.2 | Very low | 31.3 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 68% | 0.68 | S | S | * | * | -120.9 | -168 | -98.5 | 40 | -24.4 | 0 | 0 | 0 | 115.9 | |||||
| 2461 | I | 32.2 | Very low | 32.3 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | trans | 81.1 | 144.4 | 163.6 | -63.8 | 164.6 | 0 | 0 | 0 | 117.1 | F2463 | I2461-F2463 HydrophobicContact CG2-CD2 3.52Å; I2461-F2463 HydrophobicContact CG2-CE2 3.39Å; I2461-F2463 HydrophobicContact CG2-CZ 4.3Å | ||
| 2462 | G | 37 | Very low | 33.4 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | trans | -154.1 | 147.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2463 | F | 29.3 | Very low | 34.4 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | trans | -164.2 | 167.1 | -170.1 | -74.3 | -53.4 | 0 | 0 | 0 | 108.3 | I2461 | I2461-F2463 HydrophobicContact CG2-CD2 3.52Å; I2461-F2463 HydrophobicContact CG2-CE2 3.39Å; I2461-F2463 HydrophobicContact CG2-CZ 4.3Å | ||
| 2464 | E | 34.1 | Very low | 35.2 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | cis | -178.3 | -176.2 | -27.3 | -153.4 | 142.4 | -99.3 | 0 | 0 | 104.5 | ||||
| 2465 | I | 36.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | cis | -154.2 | 160.9 | 14 | -38.7 | 157.9 | 0 | 0 | 0 | 106.6 | D2467 K2468 | I2465-D2467 WeakPolarHBondContact CG2-O 3.3Å; I2465-K2468 VanDerWaalsContact CD1-O 3.23Å; I2465-K2468 WeakPolarHBondContact CD1-O 3.23Å | ||
| 2466 | D | 32.4 | Very low | 36 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 88% | 0.877 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -131.3 | 154 | 147.3 | -164.8 | 17.7 | 0 | 0 | 0 | 110.2 | ||
| 2467 | D | 21.6 | Very low | 36.2 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 59.7 | 108.6 | -144.6 | -164 | 23.1 | 0 | 0 | 0 | 112.8 | I2465 | I2465-D2467 WeakPolarHBondContact CG2-O 3.3Š|
| 2468 | K | 27.5 | Very low | 36.3 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | trans | 63.1 | 126.8 | -172 | -65.8 | 168.8 | -172.9 | 157.4 | 0 | 115.2 | I2465 N2470 | I2465-K2468 VanDerWaalsContact CD1-O 3.23Å; I2465-K2468 WeakPolarHBondContact CD1-O 3.23Å; K2468-N2470 WeakPolarHBondContact CB-O 3.4Å | ||
| 2469 | T | 23.5 | Very low | 36 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | cis | 47 | 100.1 | 12.6 | 58.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2470 | N | 34.4 | Very low | 35.1 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 67% | 0.674 | 65% | 0.654 | S | S | * | * | trans | 66.4 | 110.1 | -177.2 | -32.4 | -55 | 0 | 0 | 0 | 110.9 | K2468 | K2468-N2470 WeakPolarHBondContact CB-O 3.4Š| ||
| 2471 | D | 46.1 | Very low | 34.4 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 64% | 0.642 | 66% | 0.656 | S | S | * | * | cis | -173.7 | 161.1 | 43.4 | -98.1 | -28.4 | 0 | 0 | 0 | 109.2 | ||||
| 2472 | K | 51.5 | Low | 34.2 | Very low | 163 Ų | 163 | 126 Ų | 126 | 71% | 0.709 | 65% | 0.653 | S | S | * | * | cis | -151.4 | 123.6 | 14.8 | -125.3 | 145.9 | -168.3 | 127 | 0 | 112.8 | ||||
| 2473 | S | 50.5 | Low | 34.1 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 47% | 0.469 | 66% | 0.657 | S | S | . | * | trans | 65.5 | 170.6 | 130.4 | 67.5 | 0 | 0 | 0 | 0 | 124.7 | K2506 | S2473-K2506 PolarHBondContact O-NZ 2.79Š| ||
| 2474 | H | 43.7 | Very low | 34.6 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | trans | 56 | 129.9 | 164.6 | -52.3 | -60.5 | 0 | 0 | 0 | 121.5 | K2506 | H2474-K2506 WeakPolarHBondContact O-CE 3.41Å; H2474-K2506 PolarHBondContact O-NZ 3.34Å | ||
| 2475 | Q | 36.3 | Very low | 34.3 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 58% | 0.575 | 66% | 0.658 | S | S | * | * | cis | -162.9 | 130.4 | -13.4 | -130.5 | 161.3 | -12.6 | 0 | 0 | 114.8 | ||||
| 2476 | T | 34.6 | Very low | 34 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 48% | 0.479 | 67% | 0.665 | S | S | . | * | trans | 64.7 | 122.4 | 132.1 | 51.4 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 2477 | N | 32.1 | Very low | 34.1 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 55% | 0.551 | 66% | 0.664 | S | S | * | * | 107.7 | 116.3 | 107.2 | -80.1 | -9.1 | 0 | 0 | 0 | 125.8 | |||||
| 2478 | R | 31.2 | Very low | 34.3 | Very low | 208 Ų | 208 | 127.8 Ų | 127.8 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | 108.7 | 118.2 | 113.9 | -84.5 | -175.3 | 176.7 | -168.9 | -1.8 | 124.4 | |||||
| 2479 | T | 30.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | 84 | 120.3 | 129.1 | 50.9 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 2480 | N | 28.1 | Very low | 34.1 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | 110.1 | 122.4 | 118.7 | -81.1 | 7.5 | 0 | 0 | 0 | 125.3 | |||||
| 2481 | L | 29.4 | Very low | 33.6 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | trans | 80.2 | 115.4 | 134.4 | -62.5 | 167.7 | 0 | 0 | 0 | 125 | ||||
| 2482 | N | 28.7 | Very low | 32.6 | Very low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 68% | 0.683 | S | S | * | * | 91.4 | 139.2 | 123.1 | -73.4 | 7.8 | 0 | 0 | 0 | 127 | |||||
| 2483 | H | 35.4 | Very low | 31.4 | Very low | 160 Ų | 160 | 128 Ų | 128 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | trans | 74.2 | 97.5 | 148 | -71.5 | -55 | 0 | 0 | 0 | 125.3 | ||||
| 2484 | S | 39.3 | Very low | 30.2 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | 34.1 | 147.7 | 116.2 | 58.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 2485 | V | 28 | Very low | 29.7 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 72% | 0.716 | S | S | * | * | trans | 86.5 | 142.1 | 166.8 | -174.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2486 | P | 30.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | cis | -129.5 | -157 | -16.8 | 40.5 | -21.7 | 0 | 0 | 0 | 115 | ||||
| 2487 | R | 33.2 | Very low | 29 | Very low | 227 Ų | 227 | 133.8 Ų | 133.8 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | trans | -69.3 | 170 | 175.4 | -50.2 | 158.2 | 170.7 | 160.3 | -6.8 | 115.6 | ||||
| 2488 | S | 25.5 | Very low | 28.7 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | 51.1 | 142.2 | 135.1 | 64.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 2489 | S | 23.4 | Very low | 28.5 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 64.6 | 130.7 | 146.4 | 58.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2490 | S | 23.6 | Very low | 28.6 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | 35.5 | 130.1 | 141.5 | 64.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 2491 | Q | 23.7 | Very low | 29.1 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | 74.3 | 143.7 | 166.4 | -48.1 | 176.5 | 20.7 | 0 | 0 | 114.8 | ||||
| 2492 | G | 25.1 | Very low | 29.1 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | 170.7 | -158.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2493 | K | 26.8 | Very low | 29.1 | Very low | 206 Ų | 206 | 130.4 Ų | 130.4 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | 65.5 | 93.4 | 175.9 | -63.3 | -179.8 | 179.8 | 175.4 | 0 | 116.5 | ||||
| 2494 | L | 26.3 | Very low | 28.8 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | 26.3 | 115.4 | 119.9 | -81.8 | 158.9 | 0 | 0 | 0 | 119 | |||||
| 2495 | A | 31.6 | Very low | 28.2 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | trans | 85.7 | 144.4 | 130.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2496 | T | 29.7 | Very low | 28.3 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | 67.4 | 143.2 | 171.6 | 67 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2497 | N | 27.9 | Very low | 28.9 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | cis | -154.9 | 149.3 | -7.9 | -106.5 | -12.5 | 0 | 0 | 0 | 111.7 | ||||
| 2498 | N | 25.8 | Very low | 29 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | 24.2 | 124 | 146.7 | -63 | -10.7 | 0 | 0 | 0 | 123.6 | ||||
| 2499 | T | 26.7 | Very low | 29.8 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | 82.5 | 174.7 | 132.3 | 67.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 2500 | P | 32.2 | Very low | 30.2 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | -133 | -128.5 | -107.2 | 32.4 | -3.5 | 0 | 0 | 0 | 117.4 | |||||
| 2501 | P | 39.5 | Very low | 30.7 | Very low | 101 Ų | 101 | 126 Ų | 126 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | -132.4 | 179.8 | -95.9 | 40.9 | -23.4 | 0 | 0 | 0 | 120.1 | |||||
| 2502 | T | 29.5 | Very low | 31.2 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 73.7 | 156.9 | 157.1 | 27.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2503 | V | 27.3 | Very low | 31.6 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | -141.8 | -176.7 | 31.5 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2504 | T | 29.2 | Very low | 32.2 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | trans | -99.7 | -138.9 | -166.4 | 55 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2505 | V | 27.9 | Very low | 33.2 | Very low | 63 Ų | 63 | 121.4 Ų | 121.4 | 38% | 0.382 | 72% | 0.718 | S | S | . | * | cis | -162.7 | 144.2 | 33.8 | 179.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2506 | K | 28.5 | Very low | 33.7 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | trans | 63.1 | 136.1 | 159.8 | -80.3 | -176.3 | 173.8 | -176 | 0 | 125.5 | S2473 H2474 | S2473-K2506 PolarHBondContact O-NZ 2.79Å; H2474-K2506 WeakPolarHBondContact O-CE 3.41Å; H2474-K2506 PolarHBondContact O-NZ 3.34Å | ||
| 2507 | P | 43.9 | Very low | 34.9 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | trans | -117.3 | -174.4 | 166.2 | 43.6 | -33 | 0 | 0 | 0 | 115 | ||||
| 2508 | P | 34.1 | Very low | 36.6 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | -147.1 | -155.2 | 113.3 | 45.8 | -27.9 | 0 | 0 | 0 | 114.2 | |||||
| 2509 | P | 43.5 | Very low | 38.2 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | -129.3 | 154.7 | -107.2 | 38.9 | -19.5 | 0 | 0 | 0 | 118.3 | |||||
| 2510 | N | 32.3 | Very low | 39.7 | Very low | 172 Ų | 172 | 116.3 Ų | 116.3 | 92% | 0.92 | 65% | 0.649 | S | S | * | * | trans | 177.2 | 174.5 | 134.9 | -114.7 | -29.4 | 0 | 0 | 0 | 115.2 | ||||
| 2511 | A | 34.1 | Very low | 40.7 | Very low | 95 Ų | 95 | 116.4 Ų | 116.4 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | trans | 88 | 85.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | L2513 | A2511-L2513 PolarHBondContact O-N 2.93Š| ||
| 2512 | E | 33.3 | Very low | 41.6 | Very low | 192 Ų | 192 | 114.6 Ų | 114.6 | 90% | 0.897 | 62% | 0.619 | S | S | * | * | trans | -69.1 | 112 | 147.7 | -66 | -164.8 | 120.6 | 0 | 0 | 110.2 | ||||
| 2513 | L | 33.8 | Very low | 42.5 | Very low | 169 Ų | 169 | 112.6 Ų | 112.6 | 89% | 0.885 | 60% | 0.598 | S | S | * | * | trans | 171.1 | 88.1 | 149.6 | -98.8 | 163.7 | 0 | 0 | 0 | 110.5 | A2511 | A2511-L2513 PolarHBondContact O-N 2.93Š| ||
| 2514 | L | 39.2 | Very low | 43.5 | Very low | 109 Ų | 109 | 107 Ų | 107 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | trans | -137.5 | 135.1 | 162.8 | -78.1 | -177.6 | 0 | 0 | 0 | 110.2 | E2518 | L2514-E2518 HydrophobicContact CB-CB 4.07Å; L2514-E2518 HydrophobicContact CD1-CG 4.46Å | ||
| 2515 | P | 47.4 | Very low | 44.5 | Very low | 57 Ų | 57 | 107.1 Ų | 107.1 | 37% | 0.37 | 56% | 0.558 | S | S | . | * | trans | -71.1 | 176.8 | -161.3 | -23.4 | 37.6 | 0 | 0 | 0 | 114.6 | N2445 K2517 E2518 K2519 | N2445-P2515 WeakPolarHBondContact O-CG 3.35Å; P2515-K2517 PolarHBondContact O-N 2.77Å; P2515-E2518 PolarHBondContact O-N 3.49Å; P2515-K2519 PolarHBondContact O-N 3.43Å | ||
| 2516 | F | 43 | Very low | 45.1 | Very low | 146 Ų | 146 | 106.6 Ų | 106.6 | 64% | 0.64 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -29.7 | 165.3 | 176.8 | -101.8 | 0 | 0 | 0 | 110.8 | E2518 K2519 M2520 | F2516-E2518 VanDerWaalsContact C-N 3.32Å; F2516-E2518 PolarHBondContact O-N 2.65Å; F2516-K2519 CarbonylContact O-C 3.43Å; F2516-K2519 VanDerWaalsContact O-O 3.08Å; F2516-M2520 HydrophobicContact CD1-CG 4.34Å; F2516-M2520 HydrophobicContact CD1-SD 4.5Å; F2516-M2520 HydrophobicContact CE1-CE 3.9Å; F2516-M2520 HydrophobicContact CE1-CG 4.04Å; F2516-M2520 HydrophobicContact CE1-SD 3.9Å; F2516-M2520 HydrophobicContact CZ-CE 4Å; F2516-M2520 HydrophobicContact CZ-CG 4.38Å; F2516-M2520 WeakPolarHBondContact O-CG 3.14Å; F2516-M2520 PolarHBondContact O-N 3.05Å |
| 2517 | K | 53 | Low | 45.7 | Very low | 109 Ų | 109 | 103.1 Ų | 103.1 | 47% | 0.474 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 2.9 | 176.4 | -139.8 | -175.2 | 164.3 | -171.7 | 0 | 114.8 | S2446 S2447 P2515 M2520 | S2446-K2517 CarbonylContact C-O 3.12Å; S2446-K2517 CarbonylContact O-C 3.6Å; S2446-K2517 VanDerWaalsContact O-C 3.32Å; S2447-K2517 CarbonylContact C-O 3.57Å; S2447-K2517 VanDerWaalsContact C-O 3.32Å; S2447-K2517 WeakPolarHBondContact CA-O 3.18Å; S2447-K2517 VanDerWaalsContact CB-O 3.3Å; S2447-K2517 WeakPolarHBondContact CB-O 3.44Å; S2447-K2517 PolarHBondContact N-O 3.04Å; S2447-K2517 WeakPolarHBondContact O-CE 3.42Å; S2447-K2517 WeakPolarHBondContact O-CG 3.1Å; P2515-K2517 PolarHBondContact O-N 2.77Å; K2517-M2520 VanDerWaalsContact C-CB 3.48Å; K2517-M2520 CarbonylContact C-O 2.84Å; K2517-M2520 HydrophobicContact CB-CB 4.47Å; K2517-M2520 HydrophobicContact CG-CB 4Å; K2517-M2520 HydrophobicContact CG-CG 4.33Å; K2517-M2520 HydrophobicContact CG-SD 4.18Å; K2517-M2520 CarbonylContact O-C 3.58Å; K2517-M2520 WeakPolarHBondContact O-CA 3.34Å; K2517-M2520 WeakPolarHBondContact O-CB 3.29Å; K2517-M2520 PolarHBondContact O-N 3.07Å |
| 2518 | E | 64.5 | Low | 45.2 | Very low | 46 Ų | 46 | 100.7 Ų | 100.7 | 22% | 0.215 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -17.8 | 163.7 | -135.4 | 161.1 | 150.1 | 0 | 0 | 115 | L2514 P2515 F2516 M2520 R2521 | L2514-E2518 HydrophobicContact CB-CB 4.07Å; L2514-E2518 HydrophobicContact CD1-CG 4.46Å; P2515-E2518 PolarHBondContact O-N 3.49Å; F2516-E2518 VanDerWaalsContact C-N 3.32Å; F2516-E2518 PolarHBondContact O-N 2.65Å; E2518-M2520 VanDerWaalsContact CA-O 3.24Å; E2518-M2520 WeakPolarHBondContact CA-O 3.02Å; E2518-M2520 CarbonylContact O-C 3.53Å; E2518-M2520 VanDerWaalsContact O-C 3.23Å; E2518-M2520 PolarHBondContact O-N 3.07Å; E2518-M2520 VanDerWaalsContact O-N 3.14Å; E2518-R2521 VanDerWaalsContact CD-NH1 3.29Å; E2518-R2521 PolarHBondContact O-N 3Å; E2518-R2521 IonicContact OE1-CZ 3.88Å; E2518-R2521 IonicContact OE1-NH1 3.99Å; E2518-R2521 PolarHBondContact OE1-NH1 2.86Å; E2518-R2521 IonicContact OE1-NH2 2.66Å; E2518-R2521 PolarHBondContact OE1-NH2 3.08Å |
| 2519 | K | 59.9 | Low | 45.2 | Very low | 148 Ų | 148 | 102.1 Ų | 102.1 | 64% | 0.643 | 53% | 0.532 | S | S | * | . | S | Bend | -65.7 | 17.2 | 128.3 | -56.7 | 178.9 | -173.7 | 177.2 | 0 | 111.8 | V2449 P2515 F2516 | V2449-K2519 VanDerWaalsContact CB-C 3.44Å; V2449-K2519 VanDerWaalsContact CB-O 3.28Å; V2449-K2519 WeakPolarHBondContact CB-O 3.43Å; V2449-K2519 HydrophobicContact CG1-CB 4.35Å; V2449-K2519 WeakPolarHBondContact CG1-O 3.31Å; P2515-K2519 PolarHBondContact O-N 3.43Å; F2516-K2519 CarbonylContact O-C 3.43Å; F2516-K2519 VanDerWaalsContact O-O 3.08Å | |
| 2520 | M | 57.8 | Low | 44.8 | Very low | 48 Ų | 48 | 103.7 Ų | 103.7 | 24% | 0.236 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -117.4 | 94.9 | 139 | -64.7 | -159.3 | 134 | 0 | 0 | 108.8 | S2447 S2448 V2449 F2516 K2517 E2518 | S2447-M2520 CarbonylContact C-O 3.55Å; S2447-M2520 VanDerWaalsContact CA-O 3.26Å; S2447-M2520 WeakPolarHBondContact CA-O 3.21Å; S2447-M2520 WeakPolarHBondContact CB-O 3.29Å; S2447-M2520 VanDerWaalsContact O-CB 3.31Å; S2447-M2520 WeakPolarHBondContact O-CB 3.42Å; S2447-M2520 PolarHBondContact OG-O 3.15Å; S2448-M2520 PolarHBondContact N-O 2.75Å; S2448-M2520 WeakPolarHBondContact O-CB 2.85Å; V2449-M2520 VanDerWaalsContact CA-CA 3.48Å; V2449-M2520 WeakPolarHBondContact O-CG 3.02Å; F2516-M2520 HydrophobicContact CD1-CG 4.34Å; F2516-M2520 HydrophobicContact CD1-SD 4.5Å; F2516-M2520 HydrophobicContact CE1-CE 3.9Å; F2516-M2520 HydrophobicContact CE1-CG 4.04Å; F2516-M2520 HydrophobicContact CE1-SD 3.9Å; F2516-M2520 HydrophobicContact CZ-CE 4Å; F2516-M2520 HydrophobicContact CZ-CG 4.38Å; F2516-M2520 WeakPolarHBondContact O-CG 3.14Å; F2516-M2520 PolarHBondContact O-N 3.05Å; K2517-M2520 VanDerWaalsContact C-CB 3.48Å; K2517-M2520 CarbonylContact C-O 2.84Å; K2517-M2520 HydrophobicContact CB-CB 4.47Å; K2517-M2520 HydrophobicContact CG-CB 4Å; K2517-M2520 HydrophobicContact CG-CG 4.33Å; K2517-M2520 HydrophobicContact CG-SD 4.18Å; K2517-M2520 CarbonylContact O-C 3.58Å; K2517-M2520 WeakPolarHBondContact O-CA 3.34Å; K2517-M2520 WeakPolarHBondContact O-CB 3.29Å; K2517-M2520 PolarHBondContact O-N 3.07Å; E2518-M2520 VanDerWaalsContact CA-O 3.24Å; E2518-M2520 WeakPolarHBondContact CA-O 3.02Å; E2518-M2520 CarbonylContact O-C 3.53Å; E2518-M2520 VanDerWaalsContact O-C 3.23Å; E2518-M2520 PolarHBondContact O-N 3.07Å; E2518-M2520 VanDerWaalsContact O-N 3.14Å |
| 2521 | R | 53.1 | Low | 44.8 | Very low | 121 Ų | 121 | 101.1 Ų | 101.1 | 46% | 0.457 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -130.6 | -60.6 | 145.3 | 178.3 | 139.1 | 53.9 | -113.5 | -1.4 | 116.3 | S2447 S2448 V2449 E2518 | S2447-R2521 WeakPolarHBondContact OG-CA 3.45Å; S2447-R2521 WeakPolarHBondContact OG-CB 3.42Å; S2448-R2521 WeakPolarHBondContact CB-O 3.4Å; V2449-R2521 VanDerWaalsContact CA-N 3.34Å; V2449-R2521 VanDerWaalsContact N-CA 3.26Å; V2449-R2521 PolarHBondContact N-O 3.05Å; E2518-R2521 VanDerWaalsContact CD-NH1 3.29Å; E2518-R2521 PolarHBondContact O-N 3Å; E2518-R2521 IonicContact OE1-CZ 3.88Å; E2518-R2521 IonicContact OE1-NH1 3.99Å; E2518-R2521 PolarHBondContact OE1-NH1 2.86Å; E2518-R2521 IonicContact OE1-NH2 2.66Å; E2518-R2521 PolarHBondContact OE1-NH2 3.08Å |
| 2522 | L | 57.4 | Low | 44.6 | Very low | 64 Ų | 64 | 102.6 Ų | 102.6 | 34% | 0.335 | 52% | 0.521 | S | S | . | . | trans | -70.1 | -124.2 | 178.2 | -48.8 | 103.1 | 0 | 0 | 0 | 115.4 | V2449 A2524 Q2525 Q2526 | V2449-L2522 WeakPolarHBondContact CA-O 3.05Å; V2449-L2522 HydrophobicContact CG2-CB 3.68Å; V2449-L2522 HydrophobicContact CG2-CD1 3.72Å; V2449-L2522 HydrophobicContact CG2-CG 4.26Å; V2449-L2522 PolarHBondContact N-O 2.85Å; L2522-A2524 PolarHBondContact O-N 3.32Å; L2522-Q2525 HydrophobicContact CB-CB 3.82Å; L2522-Q2525 HydrophobicContact CD2-CB 4.14Å; L2522-Q2525 HydrophobicContact CD2-CG 4.24Å; L2522-Q2525 HydrophobicContact CG-CB 4.17Å; L2522-Q2525 VanDerWaalsContact CG-OE1 3.3Å; L2522-Q2526 HydrophobicContact CB-CB 4.22Å; L2522-Q2526 HydrophobicContact CD2-CG 4.34Å | ||
| 2523 | F | 48.8 | Very low | 44.5 | Very low | 91 Ų | 91 | 102.4 Ų | 102.4 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | S | Bend | trans | 51.9 | -68.6 | -159.2 | -177.7 | -128 | 0 | 0 | 0 | 114.5 | N2450 Q2525 Q2526 I2527 | N2450-F2523 VanDerWaalsContact C-CB 3.47Å; N2450-F2523 HydrophobicContact CB-CB 3.79Å; N2450-F2523 HydrophobicContact CB-CD1 4.29Å; N2450-F2523 HydrophobicContact CB-CD2 3.87Å; N2450-F2523 HydrophobicContact CB-CE2 4.4Å; N2450-F2523 HydrophobicContact CB-CG 3.8Å; N2450-F2523 VanDerWaalsContact O-CA 3.26Å; N2450-F2523 WeakPolarHBondContact O-CA 3.41Å; N2450-F2523 WeakPolarHBondContact O-CB 3.29Å; N2450-F2523 PolarHBondContact O-N 3.02Å; F2523-Q2525 PolarHBondContact O-N 3.27Å; F2523-Q2526 CarbonylContact O-C 3.43Å; F2523-Q2526 VanDerWaalsContact O-CA 3.28Å; F2523-Q2526 WeakPolarHBondContact O-CA 3.43Å; F2523-Q2526 PolarHBondContact O-N 2.95Å; F2523-I2527 HydrophobicContact CD1-CD1 3.98Å; F2523-I2527 HydrophobicContact CD2-CD1 3.72Å; F2523-I2527 HydrophobicContact CD2-CG1 3.75Å; F2523-I2527 HydrophobicContact CE1-CD1 3.68Å; F2523-I2527 HydrophobicContact CE2-CD1 3.4Å; F2523-I2527 HydrophobicContact CE2-CG1 3.88Å; F2523-I2527 HydrophobicContact CG-CD1 4.01Å; F2523-I2527 HydrophobicContact CG-CG1 4.09Å; F2523-I2527 HydrophobicContact CZ-CD1 3.38Å; F2523-I2527 HydrophobicContact CZ-CG1 4.33Å; F2523-I2527 WeakPolarHBondContact O-CG1 3.34Å; F2523-I2527 PolarHBondContact O-N 2.94Å |
| 2524 | A | 47.9 | Very low | 44.3 | Very low | 14 Ų | 14 | 102.6 Ų | 102.6 | 12% | 0.116 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -39.5 | -57.5 | 164 | 0 | 0 | 0 | 0 | 0 | 110 | L2522 Q2526 I2527 G2528 E2529 L2531 | L2522-A2524 PolarHBondContact O-N 3.32Å; A2524-Q2526 PolarHBondContact O-N 2.9Å; A2524-I2527 PolarHBondContact O-N 3.41Å; A2524-G2528 PolarHBondContact O-N 3.09Å; A2524-E2529 CarbonylContact C-O 3.54Å; A2524-E2529 VanDerWaalsContact C-O 3.25Å; A2524-E2529 WeakPolarHBondContact CA-O 3.43Å; A2524-E2529 WeakPolarHBondContact CB-O 3.33Å; A2524-E2529 PolarHBondContact O-N 2.87Å; A2524-E2529 VanDerWaalsContact O-N 3.08Å; A2524-L2531 HydrophobicContact CB-CD1 3.55Å |
| 2525 | Q | 52.1 | Low | 43.9 | Very low | 118 Ų | 118 | 109.2 Ų | 109.2 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.8 | 6 | 175.5 | -151.6 | 176.8 | 25.4 | 0 | 0 | 115.6 | L2522 F2523 | L2522-Q2525 HydrophobicContact CB-CB 3.82Å; L2522-Q2525 HydrophobicContact CD2-CB 4.14Å; L2522-Q2525 HydrophobicContact CD2-CG 4.24Å; L2522-Q2525 HydrophobicContact CG-CB 4.17Å; L2522-Q2525 VanDerWaalsContact CG-OE1 3.3Å; F2523-Q2525 PolarHBondContact O-N 3.27Å |
| 2526 | Q | 40.1 | Very low | 43 | Very low | 53 Ų | 53 | 113.1 Ų | 113.1 | 25% | 0.248 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -146.3 | 2.5 | -172.4 | -123.2 | 176.1 | -19.1 | 0 | 0 | 114.3 | S2451 S2452 Y2453 L2522 F2523 A2524 | S2451-Q2526 PolarHBondContact OG-NE2 3.41Å; S2451-Q2526 PolarHBondContact OG-OE1 2.76Å; S2452-Q2526 WeakPolarHBondContact CA-O 3Å; Y2453-Q2526 WeakPolarHBondContact CD2-O 3.47Å; Y2453-Q2526 WeakPolarHBondContact CE2-O 3.15Å; Y2453-Q2526 PolarHBondContact N-O 2.72Å; L2522-Q2526 HydrophobicContact CB-CB 4.22Å; L2522-Q2526 HydrophobicContact CD2-CG 4.34Å; F2523-Q2526 CarbonylContact O-C 3.43Å; F2523-Q2526 VanDerWaalsContact O-CA 3.28Å; F2523-Q2526 WeakPolarHBondContact O-CA 3.43Å; F2523-Q2526 PolarHBondContact O-N 2.95Å; A2524-Q2526 PolarHBondContact O-N 2.9Å |
| 2527 | I | 41.4 | Very low | 42.3 | Very low | 71 Ų | 71 | 115.1 Ų | 115.1 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -108.8 | -20.7 | 153 | 15.6 | 173.8 | 0 | 0 | 0 | 110.2 | Y2453 F2523 A2524 | Y2453-I2527 PolarHBondContact OH-O 2.9Å; F2523-I2527 HydrophobicContact CD1-CD1 3.98Å; F2523-I2527 HydrophobicContact CD2-CD1 3.72Å; F2523-I2527 HydrophobicContact CD2-CG1 3.75Å; F2523-I2527 HydrophobicContact CE1-CD1 3.68Å; F2523-I2527 HydrophobicContact CE2-CD1 3.4Å; F2523-I2527 HydrophobicContact CE2-CG1 3.88Å; F2523-I2527 HydrophobicContact CG-CD1 4.01Å; F2523-I2527 HydrophobicContact CG-CG1 4.09Å; F2523-I2527 HydrophobicContact CZ-CD1 3.38Å; F2523-I2527 HydrophobicContact CZ-CG1 4.33Å; F2523-I2527 WeakPolarHBondContact O-CG1 3.34Å; F2523-I2527 PolarHBondContact O-N 2.94Å; A2524-I2527 PolarHBondContact O-N 3.41Å |
| 2528 | G | 32.9 | Very low | 41 | Very low | 65 Ų | 65 | 114.5 Ų | 114.5 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.7 | 18.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A2524 | A2524-G2528 PolarHBondContact O-N 3.09Š|
| 2529 | E | 34.3 | Very low | 39.1 | Very low | 152 Ų | 152 | 117.2 Ų | 117.2 | 71% | 0.71 | 60% | 0.595 | S | S | * | * | trans | -120.7 | 114.9 | 175.8 | -66.5 | -169.1 | 145.7 | 0 | 0 | 110.1 | A2524 | A2524-E2529 CarbonylContact C-O 3.54Å; A2524-E2529 VanDerWaalsContact C-O 3.25Å; A2524-E2529 WeakPolarHBondContact CA-O 3.43Å; A2524-E2529 WeakPolarHBondContact CB-O 3.33Å; A2524-E2529 PolarHBondContact O-N 2.87Å; A2524-E2529 VanDerWaalsContact O-N 3.08Å | ||
| 2530 | D | 35.3 | Very low | 37.3 | Very low | 138 Ų | 138 | 115 Ų | 115 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 148.5 | 171.5 | -85.4 | -47.5 | 0 | 0 | 0 | 111.7 | P2532 | D2530-P2532 VanDerWaalsContact O-CD 3.29Å; D2530-P2532 WeakPolarHBondContact O-CD 3.42Å |
| 2531 | L | 32.3 | Very low | 35.8 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -77 | 121.4 | 174.4 | -77.6 | 82.8 | 0 | 0 | 0 | 112 | A2524 | A2524-L2531 HydrophobicContact CB-CD1 3.55Š|
| 2532 | P | 29.2 | Very low | 34.5 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 140.5 | 158.2 | -8.6 | 28 | 0 | 0 | 0 | 109.6 | D2530 | D2530-P2532 VanDerWaalsContact O-CD 3.29Å; D2530-P2532 WeakPolarHBondContact O-CD 3.42Å |
| 2533 | K | 31.4 | Very low | 32.9 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 82% | 0.822 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -92 | 142.6 | -175.8 | -63.9 | 171.6 | -175.9 | 170.6 | 0 | 112.3 | ||
| 2534 | E | 28.7 | Very low | 31.6 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | 26 | 121.2 | 147.5 | -60.6 | 176 | 145.4 | 0 | 0 | 119.3 | I2536 | E2534-I2536 PolarHBondContact O-N 3.3Š| ||
| 2535 | R | 30.7 | Very low | 30.4 | Very low | 248 Ų | 248 | 138.2 Ų | 138.2 | 94% | 0.936 | 69% | 0.694 | S | S | * | * | trans | -62.3 | 124 | 149.1 | -77.5 | -179.4 | 172.5 | 179.7 | -2.7 | 109 | ||||
| 2536 | I | 28.7 | Very low | 29.1 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -167.5 | 147 | 154.7 | -107.7 | 153.8 | 0 | 0 | 0 | 110.1 | E2534 | E2534-I2536 PolarHBondContact O-N 3.3Š| ||
| 2537 | K | 28.2 | Very low | 28.4 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | trans | 71.1 | 136.5 | -171.4 | -56.7 | 170 | -175.7 | 176.3 | 0 | 112.7 | ||||
| 2538 | A | 25.3 | Very low | 27.8 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | cis | 70.6 | 156.6 | 24.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2539 | S | 24.9 | Very low | 27.7 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -150 | 166.8 | -1.5 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2540 | S | 23.7 | Very low | 27.4 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | 53.3 | 134.3 | 142.1 | -57.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2541 | R | 24.5 | Very low | 27.1 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | 68.1 | 155 | 164.3 | -80.2 | 173.5 | 160.3 | -137.3 | -12.4 | 113.3 | E2544 | R2541-E2544 IonicContact CZ-OE2 2.7Å; R2541-E2544 IonicContact NH1-OE2 2.68Å; R2541-E2544 PolarHBondContact NH1-OE2 2.84Å; R2541-E2544 IonicContact NH2-OE2 2.68Å; R2541-E2544 PolarHBondContact NH2-OE2 3.39Å | ||
| 2542 | Q | 26.6 | Very low | 27.3 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | cis | -117.5 | 143 | 21.3 | -74.4 | 157.5 | -103.9 | 0 | 0 | 115.3 | E2544 L2545 | Q2542-E2544 PolarHBondContact NE2-O 2.81Å; Q2542-L2545 PolarHBondContact NE2-O 3.37Å | ||
| 2543 | R | 24.4 | Very low | 27.2 | Very low | 255 Ų | 255 | 153.9 Ų | 153.9 | 96% | 0.962 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -129.8 | 49.8 | 133.5 | -155.4 | -174.6 | -66.4 | -174.9 | 1.3 | 110.1 | ||
| 2544 | E | 21.2 | Very low | 27 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 49% | 0.486 | 77% | 0.767 | S | S | . | * | S | Bend | trans | -133.3 | 116.8 | 163.8 | -168.1 | 161.3 | -123.1 | 0 | 0 | 105.5 | R2541 Q2542 | R2541-E2544 IonicContact CZ-OE2 2.7Å; R2541-E2544 IonicContact NH1-OE2 2.68Å; R2541-E2544 PolarHBondContact NH1-OE2 2.84Å; R2541-E2544 IonicContact NH2-OE2 2.68Å; R2541-E2544 PolarHBondContact NH2-OE2 3.39Å; Q2542-E2544 PolarHBondContact NE2-O 2.81Å |
| 2545 | L | 23.4 | Very low | 26.9 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 55.5 | 109.2 | 177.8 | -63.3 | 168.1 | 0 | 0 | 0 | 119.2 | Q2542 | Q2542-L2545 PolarHBondContact NE2-O 3.37Š|
| 2546 | Q | 23.3 | Very low | 26.6 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | 75.6 | 146 | 129.5 | -66.5 | 175.4 | -24.6 | 0 | 0 | 122.6 | |||||
| 2547 | S | 25.5 | Very low | 26.5 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 54.7 | 88.5 | 150.9 | 57.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2548 | A | 28.9 | Very low | 26.4 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | 78.9 | 151.8 | 110.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 2549 | N | 30.8 | Very low | 26.5 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | 70.9 | 124.8 | 156 | -69.9 | -20 | 0 | 0 | 0 | 117.4 | ||||
| 2550 | N | 28.3 | Very low | 26.6 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | 79.9 | 126 | 56.2 | -80.7 | -46.6 | 0 | 0 | 0 | 112.3 | |||||
| 2551 | L | 29.5 | Very low | 26.8 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | 65.4 | 153.6 | 177.2 | -72.8 | 74.2 | 0 | 0 | 0 | 113.9 | ||||
| 2552 | H | 35.8 | Very low | 27.1 | Very low | 237 Ų | 237 | 149.9 Ų | 149.9 | 100% | 1.097 | 76% | 0.759 | S | S | * | * | cis | -134.5 | 0 | 13.7 | -154.1 | -25.9 | 0 | 0 | 0 | 113.5 |
Retrieved 2,552 of 2,552 residues in 2212.4 ms
(Link to these results)