| 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 | 38.1 | Very low | 70.9 | Confident | 248 Ų | 248 | 69.2 Ų | 69.2 | 100% | 1.222 | 41% | 0.407 | S | S | * | . | 0 | 95 | 0 | -71.1 | 170.7 | 156.4 | 0 | 0 | 106.2 | |||||
| 2 | S | 51.6 | Low | 71.7 | Confident | 113 Ų | 113 | 65.2 Ų | 65.2 | 79% | 0.79 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 118.3 | 178.6 | -134.1 | 0 | 0 | 0 | 0 | 107.1 | ||
| 3 | G | 58.8 | Low | 71.8 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 165.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A5 | G3-A5 PolarHBondContact O-N 3.2Š|
| 4 | P | 61.6 | Low | 71.4 | Confident | 99 Ų | 99 | 65.9 Ų | 65.9 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 123.1 | 177.1 | 26.7 | -32.6 | 0 | 0 | 0 | 109.8 | V6 | P4-V6 PolarHBondContact O-N 3.48Š|
| 5 | A | 70.1 | Confident | 70.5 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 129 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G3 A23 | G3-A5 PolarHBondContact O-N 3.2Å; A5-A23 HydrophobicContact CB-CB 4.39Å |
| 6 | V | 77.8 | Confident | 70.1 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 14% | 0.139 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.6 | 179.3 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | P4 V24 L70 H78 | P4-V6 PolarHBondContact O-N 3.48Å; V6-V24 PolarHBondContact N-O 2.98Å; V6-V24 PolarHBondContact O-N 3.02Å; V6-L70 HydrophobicContact CG1-CD1 4.17Å; V6-H78 VanDerWaalsContact CG1-CD2 3.49Å; V6-H78 WeakPolarHBondContact CG1-CD2 3.47Å |
| 7 | V | 81.9 | Confident | 69.5 | Low | 52 Ų | 52 | 77.3 Ų | 77.3 | 32% | 0.315 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.6 | -178.9 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | F21 N76 H78 | V7-F21 HydrophobicContact CG1-CD1 4.41Å; V7-N76 PolarHBondContact N-O 3.2Å; V7-N76 VanDerWaalsContact O-O 3.07Å; V7-H78 PolarHBondContact O-N 2.66Å |
| 8 | V | 84.5 | Confident | 69.6 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.5 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | V10 I22 V24 L66 L70 V80 | V8-V10 HydrophobicContact CG1-CG2 4.26Å; V8-I22 PolarHBondContact N-O 2.95Å; V8-I22 PolarHBondContact O-N 3.07Å; V8-V24 HydrophobicContact CB-CG2 3.96Å; V8-V24 HydrophobicContact CG2-CB 4.14Å; V8-V24 HydrophobicContact CG2-CG2 3.55Å; V8-L66 HydrophobicContact CG2-CD2 4.39Å; V8-L70 HydrophobicContact CG2-CD1 3.89Å; V8-L70 HydrophobicContact CG2-CD2 3.84Å; V8-V80 HydrophobicContact CG1-CB 4.03Å; V8-V80 HydrophobicContact CG1-CG2 3.4Å |
| 9 | K | 86.1 | Confident | 70.1 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 17% | 0.165 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 104.8 | 175.5 | -175.9 | 177.4 | -172 | 173.9 | 0 | 109.5 | R11 E19 F21 H78 V79 V80 | K9-R11 VanDerWaalsContact CE-NE 3.26Å; K9-R11 HydrophobicContact CG-CG 4.2Å; K9-E19 WeakPolarHBondContact CE-OE1 3.46Å; K9-E19 WeakPolarHBondContact CE-OE2 3.28Å; K9-E19 IonicContact NZ-OE1 3.21Å; K9-E19 PolarHBondContact NZ-OE1 2.83Å; K9-E19 IonicContact NZ-OE2 3.47Å; K9-E19 PolarHBondContact NZ-OE2 2.95Å; K9-F21 HydrophobicContact CB-CD1 4.11Å; K9-F21 HydrophobicContact CB-CE1 4.07Å; K9-F21 HydrophobicContact CD-CD1 4.4Å; K9-F21 HydrophobicContact CD-CE1 3.56Å; K9-F21 HydrophobicContact CD-CZ 3.79Å; K9-F21 VanDerWaalsContact CE-CZ 3.44Å; K9-F21 HydrophobicContact CG-CD1 4.05Å; K9-F21 HydrophobicContact CG-CE1 3.68Å; K9-F21 HydrophobicContact CG-CZ 4.05Å; K9-H78 PolarHBondContact N-O 3.22Å; K9-V79 WeakPolarHBondContact O-CA 3.47Å; K9-V80 PolarHBondContact O-N 2.86Å |
| 10 | V | 85.9 | Confident | 70.8 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121.1 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | V8 E19 L20 I22 V37 F41 V80 L82 | V8-V10 HydrophobicContact CG1-CG2 4.26Å; V10-E19 WeakPolarHBondContact O-CA 3.39Å; V10-L20 HydrophobicContact CB-CB 4.3Å; V10-L20 PolarHBondContact N-O 3.27Å; V10-L20 PolarHBondContact O-N 2.78Å; V10-I22 HydrophobicContact CG2-CD1 3.71Å; V10-I22 HydrophobicContact CG2-CG1 4.47Å; V10-V37 HydrophobicContact CG1-CG1 4.36Å; V10-V37 HydrophobicContact CG1-CG2 4.13Å; V10-V37 HydrophobicContact CG2-CG2 3.93Å; V10-F41 HydrophobicContact CG1-CD2 4.35Å; V10-F41 HydrophobicContact CG1-CE2 4.35Å; V10-V80 CarbonylContact C-O 3.58Å; V10-V80 VanDerWaalsContact CA-O 3.26Å; V10-V80 WeakPolarHBondContact CA-O 3.46Å; V10-V80 HydrophobicContact CG2-CB 4.37Å; V10-L82 HydrophobicContact CG1-CB 3.82Å; V10-L82 HydrophobicContact CG1-CD2 4.41Å |
| 11 | R | 83.6 | Confident | 71.4 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.3 | 176.7 | -56.9 | -166.4 | -165.4 | -163.2 | 1 | 110.3 | K9 E19 V79 V80 H81 L82 | K9-R11 VanDerWaalsContact CE-NE 3.26Å; K9-R11 HydrophobicContact CG-CG 4.2Å; R11-E19 WeakPolarHBondContact CD-OE1 3.43Å; R11-E19 HydrophobicContact CG-CG 4.12Å; R11-E19 IonicContact CZ-OE1 3.37Å; R11-E19 IonicContact NE-OE1 2.78Å; R11-E19 PolarHBondContact NE-OE1 3.09Å; R11-E19 VanDerWaalsContact NE-OE1 3.09Å; R11-E19 IonicContact NH1-OE1 2.76Å; R11-E19 PolarHBondContact NH1-OE1 2.65Å; R11-E19 IonicContact NH2-OE1 3.09Å; R11-V79 HydrophobicContact CG-CG1 4.24Å; R11-V80 PolarHBondContact N-O 2.77Å; R11-H81 CarbonylContact O-C 3.6Å; R11-H81 WeakPolarHBondContact O-CA 3.47Å; R11-L82 PolarHBondContact O-N 2.93Å |
| 12 | S | 80.4 | Confident | 73.6 | Confident | 21 Ų | 21 | 65 Ų | 65 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 145.8 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | L14 Q18 F41 | S12-L14 WeakPolarHBondContact OG-CB 3.11Å; S12-L14 PolarHBondContact OG-N 3.12Å; S12-L14 VanDerWaalsContact OG-N 3.12Å; S12-Q18 PolarHBondContact N-O 3.25Å; S12-F41 VanDerWaalsContact CB-CZ 3.5Å |
| 13 | V | 72.4 | Confident | 75.1 | Confident | 40 Ų | 40 | 62.5 Ų | 62.5 | 24% | 0.242 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -79.4 | -6.8 | 171.3 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | H81 L82 I83 M136 | V13-H81 HydrophobicContact CG2-CB 4.13Å; V13-L82 WeakPolarHBondContact CG2-O 3.38Å; V13-L82 PolarHBondContact N-O 2.8Å; V13-I83 HydrophobicContact CB-CG1 4.35Å; V13-I83 HydrophobicContact CG2-CG1 3.69Å; V13-M136 WeakPolarHBondContact O-CE 3.15Å |
| 14 | L | 67.3 | Low | 76.3 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -78.6 | 152 | 175.9 | -63.7 | 176.1 | 0 | 0 | 0 | 111.5 | S12 V16 | S12-L14 WeakPolarHBondContact OG-CB 3.11Å; S12-L14 PolarHBondContact OG-N 3.12Å; S12-L14 VanDerWaalsContact OG-N 3.12Å; L14-V16 PolarHBondContact O-N 3.15Å |
| 15 | P | 58 | Low | 77.2 | Confident | 109 Ų | 109 | 59 Ų | 59 | 71% | 0.708 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -65.3 | 1.5 | -174.7 | 25.5 | -35.5 | 0 | 0 | 0 | 115.2 | ||
| 16 | V | 63.6 | Low | 77.4 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -86.6 | 110.4 | 170.9 | -164.9 | 0 | 0 | 0 | 0 | 106.9 | L14 Q18 | L14-V16 PolarHBondContact O-N 3.15Å; V16-Q18 HydrophobicContact CG1-CG 3.9Å; V16-Q18 PolarHBondContact O-N 2.92Å |
| 17 | E | 60 | Low | 77.5 | Confident | 198 Ų | 198 | 64.3 Ų | 64.3 | 93% | 0.925 | 34% | 0.341 | S | S | * | . | trans | -61.7 | 84.5 | 174.2 | -72.6 | -170.3 | 155.3 | 0 | 0 | 110 | ||||
| 18 | Q | 70.8 | Confident | 77.6 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | trans | -117.8 | 117.7 | 173.4 | -74.8 | 172.6 | 11.1 | 0 | 0 | 107.9 | S12 V16 F41 P42 | S12-Q18 PolarHBondContact N-O 3.25Å; V16-Q18 HydrophobicContact CG1-CG 3.9Å; V16-Q18 PolarHBondContact O-N 2.92Å; Q18-F41 HydrophobicContact CB-CE1 4.16Å; Q18-F41 HydrophobicContact CB-CE2 4.41Å; Q18-F41 HydrophobicContact CB-CZ 3.67Å; Q18-F41 WeakPolarHBondContact O-CZ 3.46Å; Q18-P42 HydrophobicContact CB-CG 4.43Å; Q18-P42 HydrophobicContact CG-CG 4.09Å; Q18-P42 VanDerWaalsContact OE1-CB 3.23Å; Q18-P42 VanDerWaalsContact OE1-CG 3.23Å; Q18-P42 PolarHBondContact OE1-O 3.22Å | ||
| 19 | E | 80.3 | Confident | 77.8 | Confident | 83 Ų | 83 | 65 Ų | 65 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.2 | -179.9 | -52.6 | -171.7 | 133.7 | 0 | 0 | 107.8 | K9 V10 R11 F21 | K9-E19 WeakPolarHBondContact CE-OE1 3.46Å; K9-E19 WeakPolarHBondContact CE-OE2 3.28Å; K9-E19 IonicContact NZ-OE1 3.21Å; K9-E19 PolarHBondContact NZ-OE1 2.83Å; K9-E19 IonicContact NZ-OE2 3.47Å; K9-E19 PolarHBondContact NZ-OE2 2.95Å; V10-E19 WeakPolarHBondContact O-CA 3.39Å; R11-E19 WeakPolarHBondContact CD-OE1 3.43Å; R11-E19 HydrophobicContact CG-CG 4.12Å; R11-E19 IonicContact CZ-OE1 3.37Å; R11-E19 IonicContact NE-OE1 2.78Å; R11-E19 PolarHBondContact NE-OE1 3.09Å; R11-E19 VanDerWaalsContact NE-OE1 3.09Å; R11-E19 IonicContact NH1-OE1 2.76Å; R11-E19 PolarHBondContact NH1-OE1 2.65Å; R11-E19 IonicContact NH2-OE1 3.09Å; E19-F21 HydrophobicContact CB-CE2 4.15Å |
| 20 | L | 82.5 | Confident | 77.8 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.5 | 175.8 | 176.9 | 67.4 | 0 | 0 | 0 | 108.2 | V10 I22 N40 F41 | V10-L20 HydrophobicContact CB-CB 4.3Å; V10-L20 PolarHBondContact N-O 3.27Å; V10-L20 PolarHBondContact O-N 2.78Å; L20-I22 HydrophobicContact CD2-CD1 3.8Å; L20-I22 HydrophobicContact CD2-CG1 3.99Å; L20-I22 HydrophobicContact CG-CD1 4.15Å; L20-I22 HydrophobicContact CG-CG1 3.82Å; L20-N40 HydrophobicContact CD1-CB 3.98Å; L20-N40 HydrophobicContact CD2-CB 3.84Å; L20-F41 HydrophobicContact CB-CD2 3.69Å; L20-F41 HydrophobicContact CB-CE2 4.05Å; L20-F41 HydrophobicContact CD2-CB 4.22Å; L20-F41 HydrophobicContact CD2-CD2 4.05Å |
| 21 | F | 83.8 | Confident | 77.7 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.6 | 175.8 | -64.3 | -94.6 | 0 | 0 | 0 | 109 | V7 K9 E19 | V7-F21 HydrophobicContact CG1-CD1 4.41Å; K9-F21 HydrophobicContact CB-CD1 4.11Å; K9-F21 HydrophobicContact CB-CE1 4.07Å; K9-F21 HydrophobicContact CD-CD1 4.4Å; K9-F21 HydrophobicContact CD-CE1 3.56Å; K9-F21 HydrophobicContact CD-CZ 3.79Å; K9-F21 VanDerWaalsContact CE-CZ 3.44Å; K9-F21 HydrophobicContact CG-CD1 4.05Å; K9-F21 HydrophobicContact CG-CE1 3.68Å; K9-F21 HydrophobicContact CG-CZ 4.05Å; E19-F21 HydrophobicContact CB-CE2 4.15Å |
| 22 | I | 84.3 | Confident | 77.9 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.3 | -177 | -52.9 | 171.9 | 0 | 0 | 0 | 107.8 | V8 V10 L20 V24 W28 L33 V37 | V8-I22 PolarHBondContact N-O 2.95Å; V8-I22 PolarHBondContact O-N 3.07Å; V10-I22 HydrophobicContact CG2-CD1 3.71Å; V10-I22 HydrophobicContact CG2-CG1 4.47Å; L20-I22 HydrophobicContact CD2-CD1 3.8Å; L20-I22 HydrophobicContact CD2-CG1 3.99Å; L20-I22 HydrophobicContact CG-CD1 4.15Å; L20-I22 HydrophobicContact CG-CG1 3.82Å; I22-V24 HydrophobicContact CB-CG2 4.26Å; I22-V24 HydrophobicContact CG2-CG2 3.79Å; I22-V24 PolarHBondContact O-N 3.43Å; I22-W28 HydrophobicContact CG2-CH2 3.72Å; I22-W28 HydrophobicContact CG2-CZ3 3.69Å; I22-L33 HydrophobicContact CD1-CD1 3.75Å; I22-V37 HydrophobicContact CD1-CG2 3.72Å |
| 23 | A | 84.1 | Confident | 78.2 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 50% | 0.504 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 112.8 | 167 | 0 | 0 | 0 | 0 | 0 | 108 | A5 | A5-A23 HydrophobicContact CB-CB 4.39Å |
| 24 | V | 83 | Confident | 78.9 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.5 | -175.5 | -177 | 0 | 0 | 0 | 0 | 110 | V6 V8 I22 W28 L33 L66 | V6-V24 PolarHBondContact N-O 2.98Å; V6-V24 PolarHBondContact O-N 3.02Å; V8-V24 HydrophobicContact CB-CG2 3.96Å; V8-V24 HydrophobicContact CG2-CB 4.14Å; V8-V24 HydrophobicContact CG2-CG2 3.55Å; I22-V24 HydrophobicContact CB-CG2 4.26Å; I22-V24 HydrophobicContact CG2-CG2 3.79Å; I22-V24 PolarHBondContact O-N 3.43Å; V24-W28 HydrophobicContact CB-CD2 4.45Å; V24-W28 HydrophobicContact CB-CE3 4.34Å; V24-W28 HydrophobicContact CG1-CB 3.5Å; V24-W28 HydrophobicContact CG1-CD2 3.66Å; V24-W28 HydrophobicContact CG1-CE3 3.72Å; V24-W28 HydrophobicContact CG1-CG 3.59Å; V24-W28 HydrophobicContact CG2-CE3 4.06Å; V24-W28 HydrophobicContact CG2-CZ3 4.17Å; V24-L33 HydrophobicContact CG2-CD1 4.19Å; V24-L66 HydrophobicContact CB-CD2 4.15Å; V24-L66 HydrophobicContact CG1-CD2 3.45Å; V24-L66 VanDerWaalsContact CG1-CD2 3.45Å; V24-L66 HydrophobicContact CG2-CD2 4.04Å |
| 25 | D | 80.4 | Confident | 79.8 | Confident | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | trans | -79.4 | 154.8 | 170.7 | -62.4 | -75.5 | 0 | 0 | 0 | 111.4 | T27 W28 | D25-T27 PolarHBondContact O-N 3.3Å; D25-W28 PolarHBondContact O-N 2.92Å; D25-W28 PolarHBondContact OD2-NE1 3.28Å | ||
| 26 | E | 74.4 | Confident | 81.2 | Confident | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.8 | 178.9 | -61.4 | -165.5 | 171.4 | 0 | 0 | 114 | K67 | E26-K67 HydrophobicContact CB-CD 4.39Å; E26-K67 VanDerWaalsContact CD-NZ 3.26Å; E26-K67 HydrophobicContact CG-CD 4.44Å; E26-K67 IonicContact OE1-NZ 2.65Å; E26-K67 PolarHBondContact OE1-NZ 3.26Å; E26-K67 IonicContact OE2-NZ 3.09Å; E26-K67 PolarHBondContact OE2-NZ 3.02Å |
| 27 | T | 80.3 | Confident | 82.2 | Confident | 109 Ų | 109 | 57 Ų | 57 | 67% | 0.669 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4.1 | -179.4 | 60 | 0 | 0 | 0 | 0 | 113.8 | D25 | D25-T27 PolarHBondContact O-N 3.3Š|
| 28 | W | 84.7 | Confident | 83.4 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | trans | -71.8 | 134.9 | -178.6 | -78.2 | 36.2 | 0 | 0 | 0 | 111.3 | I22 V24 D25 D32 L33 H36 L66 | I22-W28 HydrophobicContact CG2-CH2 3.72Å; I22-W28 HydrophobicContact CG2-CZ3 3.69Å; V24-W28 HydrophobicContact CB-CD2 4.45Å; V24-W28 HydrophobicContact CB-CE3 4.34Å; V24-W28 HydrophobicContact CG1-CB 3.5Å; V24-W28 HydrophobicContact CG1-CD2 3.66Å; V24-W28 HydrophobicContact CG1-CE3 3.72Å; V24-W28 HydrophobicContact CG1-CG 3.59Å; V24-W28 HydrophobicContact CG2-CE3 4.06Å; V24-W28 HydrophobicContact CG2-CZ3 4.17Å; D25-W28 PolarHBondContact O-N 2.92Å; D25-W28 PolarHBondContact OD2-NE1 3.28Å; W28-D32 HydrophobicContact CB-CB 4.42Å; W28-D32 HydrophobicContact CD2-CB 4.41Å; W28-D32 HydrophobicContact CE3-CB 4.37Å; W28-D32 HydrophobicContact CG-CB 4.44Å; W28-L33 HydrophobicContact CE3-CB 4.48Å; W28-L33 HydrophobicContact CZ3-CD1 4.37Å; W28-H36 HydrophobicContact CH2-CB 4.07Å; W28-H36 AromaticContact CH2-CE1 3.98Å; W28-H36 AromaticContact CH2-CG 3.72Å; W28-H36 AromaticContact CH2-ND1 3.47Å; W28-H36 WeakPolarHBondContact CH2-ND1 3.41Å; W28-H36 HydrophobicContact CZ3-CB 3.81Å; W28-H36 AromaticContact CZ3-CG 3.9Å; W28-L66 WeakPolarHBondContact O-CB 3.28Å; W28-L66 PolarHBondContact O-N 3.5Å | ||
| 29 | T | 87.4 | Confident | 84 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 164.4 | 168.2 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | K31 D32 L33 R64 | T29-K31 PolarHBondContact O-N 2.68Å; T29-K31 PolarHBondContact OG1-N 2.91Å; T29-D32 WeakPolarHBondContact CB-OD2 3.46Å; T29-D32 PolarHBondContact N-OD2 3.03Å; T29-D32 PolarHBondContact O-N 2.91Å; T29-D32 VanDerWaalsContact O-N 3.15Å; T29-D32 PolarHBondContact OG1-N 3.29Å; T29-D32 PolarHBondContact OG1-OD2 3.13Å; T29-L33 PolarHBondContact O-N 3.41Å; T29-L33 VanDerWaalsContact O-N 3.12Å; T29-R64 WeakPolarHBondContact CA-O 3.49Å |
| 30 | V | 86 | Confident | 84 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.6 | -37.3 | 170.3 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | L33 K34 L59 E60 R64 L66 Y69 | V30-L33 WeakPolarHBondContact O-CB 3.39Å; V30-L33 PolarHBondContact O-N 2.76Å; V30-K34 HydrophobicContact CG1-CG 4.45Å; V30-K34 WeakPolarHBondContact O-CG 3.41Å; V30-K34 PolarHBondContact O-N 3.25Å; V30-L59 HydrophobicContact CG1-CB 3.71Å; V30-L59 HydrophobicContact CG1-CD2 4.21Å; V30-L59 HydrophobicContact CG1-CG 4.35Å; V30-L59 HydrophobicContact CG2-CB 4.23Å; V30-L59 HydrophobicContact CG2-CD2 4.06Å; V30-L59 HydrophobicContact CG2-CG 4.09Å; V30-E60 VanDerWaalsContact CG1-O 3.28Å; V30-E60 WeakPolarHBondContact CG1-O 3.41Å; V30-R64 PolarHBondContact N-O 3.11Å; V30-L66 HydrophobicContact CG2-CD1 4.36Å; V30-Y69 HydrophobicContact CG2-CD2 4.2Å; V30-Y69 HydrophobicContact CG2-CE2 3.86Å |
| 31 | K | 85.6 | Confident | 83.8 | Confident | 104 Ų | 104 | 47.5 Ų | 47.5 | 45% | 0.452 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.4 | -169.9 | 175.3 | -176.4 | 175.4 | 0 | 112.5 | T29 L33 K34 N35 | T29-K31 PolarHBondContact O-N 2.68Å; T29-K31 PolarHBondContact OG1-N 2.91Å; K31-L33 VanDerWaalsContact C-N 3.31Å; K31-L33 PolarHBondContact O-N 3.25Å; K31-K34 PolarHBondContact O-N 2.82Å; K31-N35 WeakPolarHBondContact O-CB 3.47Å; K31-N35 VanDerWaalsContact O-CG 3.27Å; K31-N35 PolarHBondContact O-N 3.18Å; K31-N35 PolarHBondContact O-ND2 3.08Å |
| 32 | D | 87 | Confident | 83 | Confident | 70 Ų | 70 | 45.1 Ų | 45.1 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 175.1 | -59.3 | -45.8 | 0 | 0 | 0 | 111 | W28 T29 N35 H36 | W28-D32 HydrophobicContact CB-CB 4.42Å; W28-D32 HydrophobicContact CD2-CB 4.41Å; W28-D32 HydrophobicContact CE3-CB 4.37Å; W28-D32 HydrophobicContact CG-CB 4.44Å; T29-D32 WeakPolarHBondContact CB-OD2 3.46Å; T29-D32 PolarHBondContact N-OD2 3.03Å; T29-D32 PolarHBondContact O-N 2.91Å; T29-D32 VanDerWaalsContact O-N 3.15Å; T29-D32 PolarHBondContact OG1-N 3.29Å; T29-D32 PolarHBondContact OG1-OD2 3.13Å; D32-N35 PolarHBondContact O-N 2.83Å; D32-H36 WeakPolarHBondContact O-CB 3.39Å; D32-H36 PolarHBondContact O-N 3.05Å |
| 33 | L | 86.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 174 | -178.1 | 65.5 | 0 | 0 | 0 | 111.6 | I22 V24 W28 T29 V30 K31 N35 H36 V37 L52 L59 L66 | I22-L33 HydrophobicContact CD1-CD1 3.75Å; V24-L33 HydrophobicContact CG2-CD1 4.19Å; W28-L33 HydrophobicContact CE3-CB 4.48Å; W28-L33 HydrophobicContact CZ3-CD1 4.37Å; T29-L33 PolarHBondContact O-N 3.41Å; T29-L33 VanDerWaalsContact O-N 3.12Å; V30-L33 WeakPolarHBondContact O-CB 3.39Å; V30-L33 PolarHBondContact O-N 2.76Å; K31-L33 VanDerWaalsContact C-N 3.31Å; K31-L33 PolarHBondContact O-N 3.25Å; L33-N35 PolarHBondContact O-N 3.37Å; L33-H36 PolarHBondContact O-N 3.47Å; L33-V37 HydrophobicContact CD1-CG2 4.37Å; L33-V37 HydrophobicContact CG-CG2 4.46Å; L33-V37 WeakPolarHBondContact O-CB 3.45Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.07Å; L33-L52 HydrophobicContact CB-CD1 4.41Å; L33-L52 HydrophobicContact CD2-CD1 3.67Å; L33-L52 HydrophobicContact CG-CD1 3.82Å; L33-L59 HydrophobicContact CD2-CD2 4.34Å; L33-L66 HydrophobicContact CB-CD2 4.43Å; L33-L66 HydrophobicContact CD1-CD2 4.5Å; L33-L66 HydrophobicContact CD2-CD1 3.61Å; L33-L66 HydrophobicContact CD2-CD2 3.79Å; L33-L66 HydrophobicContact CD2-CG 4.37Å; L33-L66 HydrophobicContact CG-CD2 4.47Å |
| 34 | K | 87.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 177.5 | -71.2 | -173 | -179.3 | -163.2 | 0 | 112.7 | V30 K31 H36 V37 S38 V47 Q50 L52 D61 | V30-K34 HydrophobicContact CG1-CG 4.45Å; V30-K34 WeakPolarHBondContact O-CG 3.41Å; V30-K34 PolarHBondContact O-N 3.25Å; K31-K34 PolarHBondContact O-N 2.82Å; K34-H36 VanDerWaalsContact C-N 3.35Å; K34-V37 PolarHBondContact O-N 3.36Å; K34-S38 WeakPolarHBondContact O-CB 3.46Å; K34-S38 PolarHBondContact O-N 3.1Å; K34-V47 HydrophobicContact CB-CG1 3.91Å; K34-V47 HydrophobicContact CD-CG1 4.38Å; K34-Q50 PolarHBondContact NZ-O 3.49Å; K34-Q50 PolarHBondContact O-NE2 2.83Å; K34-Q50 PolarHBondContact O-OE1 2.9Å; K34-L52 HydrophobicContact CB-CD1 4.48Å; K34-L52 HydrophobicContact CG-CD1 3.48Å; K34-L52 VanDerWaalsContact CG-CD1 3.48Å; K34-L52 HydrophobicContact CG-CG 4.02Å; K34-D61 WeakPolarHBondContact CD-OD1 3.29Å; K34-D61 WeakPolarHBondContact CE-OD1 3.43Å; K34-D61 IonicContact NZ-OD1 3.07Å; K34-D61 PolarHBondContact NZ-OD1 3.28Å; K34-D61 IonicContact NZ-OD2 3.97Å; K34-D61 PolarHBondContact NZ-OD2 3.21Å; K34-D61 VanDerWaalsContact NZ-OD2 3.09Å |
| 35 | N | 86.1 | Confident | 81.3 | Confident | 77 Ų | 77 | 53 Ų | 53 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.6 | -73.3 | -31 | 0 | 0 | 0 | 111.1 | K31 D32 L33 V37 S38 G39 V47 | K31-N35 WeakPolarHBondContact O-CB 3.47Å; K31-N35 VanDerWaalsContact O-CG 3.27Å; K31-N35 PolarHBondContact O-N 3.18Å; K31-N35 PolarHBondContact O-ND2 3.08Å; D32-N35 PolarHBondContact O-N 2.83Å; L33-N35 PolarHBondContact O-N 3.37Å; N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 PolarHBondContact O-N 2.77Å; N35-S38 WeakPolarHBondContact O-CB 3.43Å; N35-S38 PolarHBondContact O-N 3.43Å; N35-G39 PolarHBondContact O-N 2.86Å; N35-G39 VanDerWaalsContact O-N 3.1Å; N35-V47 VanDerWaalsContact OD1-CG2 3.28Å; N35-V47 WeakPolarHBondContact OD1-CG2 3.45Å |
| 36 | H | 86.3 | Confident | 81.4 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 178.2 | -163.2 | 94.1 | 0 | 0 | 0 | 112 | W28 D32 L33 K34 G39 N40 | W28-H36 HydrophobicContact CH2-CB 4.07Å; W28-H36 AromaticContact CH2-CE1 3.98Å; W28-H36 AromaticContact CH2-CG 3.72Å; W28-H36 AromaticContact CH2-ND1 3.47Å; W28-H36 WeakPolarHBondContact CH2-ND1 3.41Å; W28-H36 HydrophobicContact CZ3-CB 3.81Å; W28-H36 AromaticContact CZ3-CG 3.9Å; D32-H36 WeakPolarHBondContact O-CB 3.39Å; D32-H36 PolarHBondContact O-N 3.05Å; L33-H36 PolarHBondContact O-N 3.47Å; K34-H36 VanDerWaalsContact C-N 3.35Å; H36-G39 PolarHBondContact O-N 2.88Å; H36-N40 PolarHBondContact CD2-ND2 3.47Å; H36-N40 PolarHBondContact NE2-ND2 3.15Å; H36-N40 WeakPolarHBondContact O-CB 3.36Å; H36-N40 PolarHBondContact O-N 3.21Å; H36-N40 VanDerWaalsContact O-N 3.08Å; H36-N40 PolarHBondContact O-ND2 3.1Å |
| 37 | V | 85.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 173.7 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | V10 I22 L33 K34 N35 G39 N40 F41 L82 | V10-V37 HydrophobicContact CG1-CG1 4.36Å; V10-V37 HydrophobicContact CG1-CG2 4.13Å; V10-V37 HydrophobicContact CG2-CG2 3.93Å; I22-V37 HydrophobicContact CD1-CG2 3.72Å; L33-V37 HydrophobicContact CD1-CG2 4.37Å; L33-V37 HydrophobicContact CG-CG2 4.46Å; L33-V37 WeakPolarHBondContact O-CB 3.45Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.07Å; K34-V37 PolarHBondContact O-N 3.36Å; N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 PolarHBondContact O-N 2.77Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 3.36Å; V37-N40 PolarHBondContact O-N 3.44Å; V37-F41 HydrophobicContact CG1-CB 3.94Å; V37-F41 HydrophobicContact CG1-CG 4.37Å; V37-F41 WeakPolarHBondContact O-CA 3.47Å; V37-F41 WeakPolarHBondContact O-CB 3.47Å; V37-F41 PolarHBondContact O-N 3.48Å; V37-L82 HydrophobicContact CG1-CD1 4.12Å; V37-L82 HydrophobicContact CG1-CD2 3.64Å; V37-L82 HydrophobicContact CG1-CG 4.45Å |
| 38 | S | 84.7 | Confident | 81.6 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 177.4 | -166.2 | 0 | 0 | 0 | 0 | 112.2 | K34 N35 Q44 P45 | K34-S38 WeakPolarHBondContact O-CB 3.46Å; K34-S38 PolarHBondContact O-N 3.1Å; N35-S38 WeakPolarHBondContact O-CB 3.43Å; N35-S38 PolarHBondContact O-N 3.43Å; S38-Q44 WeakPolarHBondContact O-CA 3.48Å; S38-Q44 WeakPolarHBondContact O-CG 3.25Å; S38-P45 WeakPolarHBondContact CB-O 3.39Å; S38-P45 PolarHBondContact OG-O 3.2Å |
| 39 | G | 83 | Confident | 81.4 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.8 | -31.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N35 H36 V37 | N35-G39 PolarHBondContact O-N 2.86Å; N35-G39 VanDerWaalsContact O-N 3.1Å; H36-G39 PolarHBondContact O-N 2.88Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 3.36Å |
| 40 | N | 80.3 | Confident | 81.3 | Confident | 89 Ų | 89 | 51.6 Ų | 51.6 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -111.4 | -12.1 | -169.9 | -64 | -82.5 | 0 | 0 | 0 | 114.5 | L20 H36 V37 | L20-N40 HydrophobicContact CD1-CB 3.98Å; L20-N40 HydrophobicContact CD2-CB 3.84Å; H36-N40 PolarHBondContact CD2-ND2 3.47Å; H36-N40 PolarHBondContact NE2-ND2 3.15Å; H36-N40 WeakPolarHBondContact O-CB 3.36Å; H36-N40 PolarHBondContact O-N 3.21Å; H36-N40 VanDerWaalsContact O-N 3.08Å; H36-N40 PolarHBondContact O-ND2 3.1Å; V37-N40 PolarHBondContact O-N 3.44Å |
| 41 | F | 78.4 | Confident | 81.1 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -87 | 133.4 | 179.8 | -156.9 | -89 | 0 | 0 | 0 | 110.9 | V10 S12 Q18 L20 V37 G43 Q44 L82 | V10-F41 HydrophobicContact CG1-CD2 4.35Å; V10-F41 HydrophobicContact CG1-CE2 4.35Å; S12-F41 VanDerWaalsContact CB-CZ 3.5Å; Q18-F41 HydrophobicContact CB-CE1 4.16Å; Q18-F41 HydrophobicContact CB-CE2 4.41Å; Q18-F41 HydrophobicContact CB-CZ 3.67Å; Q18-F41 WeakPolarHBondContact O-CZ 3.46Å; L20-F41 HydrophobicContact CB-CD2 3.69Å; L20-F41 HydrophobicContact CB-CE2 4.05Å; L20-F41 HydrophobicContact CD2-CB 4.22Å; L20-F41 HydrophobicContact CD2-CD2 4.05Å; V37-F41 HydrophobicContact CG1-CB 3.94Å; V37-F41 HydrophobicContact CG1-CG 4.37Å; V37-F41 WeakPolarHBondContact O-CA 3.47Å; V37-F41 WeakPolarHBondContact O-CB 3.47Å; V37-F41 PolarHBondContact O-N 3.48Å; F41-G43 PolarHBondContact O-N 3.18Å; F41-Q44 PolarHBondContact O-N 3.09Å; F41-Q44 VanDerWaalsContact O-N 3.1Å; F41-L82 HydrophobicContact CB-CD2 4.5Å; F41-L82 HydrophobicContact CD1-CD2 3.72Å; F41-L82 HydrophobicContact CD2-CD2 4.05Å; F41-L82 HydrophobicContact CE1-CD2 3.96Å; F41-L82 HydrophobicContact CE2-CD2 4.26Å; F41-L82 HydrophobicContact CG-CD2 3.8Å; F41-L82 HydrophobicContact CZ-CD2 4.24Å |
| 42 | P | 68 | Low | 81.2 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 126.1 | 179 | -6.7 | 20.2 | 0 | 0 | 0 | 109.9 | Q18 | Q18-P42 HydrophobicContact CB-CG 4.43Å; Q18-P42 HydrophobicContact CG-CG 4.09Å; Q18-P42 VanDerWaalsContact OE1-CB 3.23Å; Q18-P42 VanDerWaalsContact OE1-CG 3.23Å; Q18-P42 PolarHBondContact OE1-O 3.22Å |
| 43 | G | 68.7 | Low | 81.1 | Confident | 76 Ų | 76 | 49.8 Ų | 49.8 | 78% | 0.784 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.4 | -4.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | F41 P45 | F41-G43 PolarHBondContact O-N 3.18Å; G43-P45 VanDerWaalsContact O-N 3.17Å |
| 44 | Q | 72.1 | Confident | 81 | Confident | 144 Ų | 144 | 50 Ų | 50 | 67% | 0.673 | 29% | 0.292 | S | S | * | . | trans | 34.7 | 62.7 | 172.9 | -70 | -175.2 | -6.9 | 0 | 0 | 113.5 | S38 F41 D46 | S38-Q44 WeakPolarHBondContact O-CA 3.48Å; S38-Q44 WeakPolarHBondContact O-CG 3.25Å; F41-Q44 PolarHBondContact O-N 3.09Å; F41-Q44 VanDerWaalsContact O-N 3.1Å; Q44-D46 PolarHBondContact O-N 3.14Å | ||
| 45 | P | 74.6 | Confident | 80.5 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | trans | -64.3 | 135.3 | 179.9 | 25.2 | -29.6 | 0 | 0 | 0 | 109.2 | S38 G43 Q50 L82 C84 | S38-P45 WeakPolarHBondContact CB-O 3.39Å; S38-P45 PolarHBondContact OG-O 3.2Å; G43-P45 VanDerWaalsContact O-N 3.17Å; P45-Q50 HydrophobicContact CB-CG 3.69Å; P45-Q50 HydrophobicContact CG-CG 3.78Å; P45-Q50 PolarHBondContact O-NE2 2.84Å; P45-L82 HydrophobicContact CG-CD2 4.18Å; P45-C84 HydrophobicContact CB-CB 4.31Å; P45-C84 WeakPolarHBondContact CB-SG 3.43Å | ||
| 46 | D | 81.5 | Confident | 79.9 | Confident | 96 Ų | 96 | 52.5 Ų | 52.5 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | trans | -61.8 | 139.8 | 174.9 | 179.3 | 34.4 | 0 | 0 | 0 | 109.5 | Q44 L48 S49 Q50 | Q44-D46 PolarHBondContact O-N 3.14Å; D46-L48 PolarHBondContact O-N 3.37Å; D46-S49 PolarHBondContact N-OG 3.44Å; D46-S49 WeakPolarHBondContact O-CA 3.36Å; D46-S49 WeakPolarHBondContact O-CB 3.44Å; D46-S49 PolarHBondContact O-N 2.83Å; D46-S49 PolarHBondContact O-OG 3.42Å; D46-Q50 WeakPolarHBondContact O-CG 3.42Å; D46-Q50 PolarHBondContact O-N 3.25Å; D46-Q50 VanDerWaalsContact O-N 3.13Å | ||
| 47 | V | 81.3 | Confident | 79.7 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -35.6 | -173.5 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | K34 N35 Q50 | K34-V47 HydrophobicContact CB-CG1 3.91Å; K34-V47 HydrophobicContact CD-CG1 4.38Å; N35-V47 VanDerWaalsContact OD1-CG2 3.28Å; N35-V47 WeakPolarHBondContact OD1-CG2 3.45Å; V47-Q50 PolarHBondContact O-N 2.78Å |
| 48 | L | 78.6 | Confident | 79.5 | Confident | 139 Ų | 139 | 59.4 Ų | 59.4 | 73% | 0.728 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -27.9 | 178.6 | -59 | 177.7 | 0 | 0 | 0 | 113.4 | D46 Q50 | D46-L48 PolarHBondContact O-N 3.37Å; L48-Q50 VanDerWaalsContact C-N 3.29Å |
| 49 | S | 80.3 | Confident | 79.4 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -15.5 | 175.1 | 76.8 | 0 | 0 | 0 | 0 | 112.5 | D46 K85 | D46-S49 PolarHBondContact N-OG 3.44Å; D46-S49 WeakPolarHBondContact O-CA 3.36Å; D46-S49 WeakPolarHBondContact O-CB 3.44Å; D46-S49 PolarHBondContact O-N 2.83Å; D46-S49 PolarHBondContact O-OG 3.42Å; S49-K85 PolarHBondContact O-N 3.03Å |
| 50 | Q | 84.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128.1 | -178.3 | -65.4 | 176.1 | 24.1 | 0 | 0 | 112.6 | K34 P45 D46 V47 L48 L82 | K34-Q50 PolarHBondContact NZ-O 3.49Å; K34-Q50 PolarHBondContact O-NE2 2.83Å; K34-Q50 PolarHBondContact O-OE1 2.9Å; P45-Q50 HydrophobicContact CB-CG 3.69Å; P45-Q50 HydrophobicContact CG-CG 3.78Å; P45-Q50 PolarHBondContact O-NE2 2.84Å; D46-Q50 WeakPolarHBondContact O-CG 3.42Å; D46-Q50 PolarHBondContact O-N 3.25Å; D46-Q50 VanDerWaalsContact O-N 3.13Å; V47-Q50 PolarHBondContact O-N 2.78Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; Q50-L82 HydrophobicContact CB-CD1 4.01Å; Q50-L82 HydrophobicContact CG-CD1 3.93Å |
| 51 | R | 83 | Confident | 78.9 | Confident | 105 Ų | 105 | 60.3 Ų | 60.3 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.7 | 166.1 | -72.5 | -176.7 | 172.8 | -149.9 | -8.6 | 108.9 | L58 I83 | R51-L58 HydrophobicContact CB-CD1 3.92Å; R51-L58 HydrophobicContact CG-CD1 4.29Å; R51-I83 HydrophobicContact CB-CB 4.07Å; R51-I83 PolarHBondContact N-O 2.79Å; R51-I83 PolarHBondContact O-N 3.47Å |
| 52 | L | 86.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.9 | 176.4 | -64.2 | 179.8 | 0 | 0 | 0 | 108.8 | L33 K34 L59 V80 H81 L82 | L33-L52 HydrophobicContact CB-CD1 4.41Å; L33-L52 HydrophobicContact CD2-CD1 3.67Å; L33-L52 HydrophobicContact CG-CD1 3.82Å; K34-L52 HydrophobicContact CB-CD1 4.48Å; K34-L52 HydrophobicContact CG-CD1 3.48Å; K34-L52 VanDerWaalsContact CG-CD1 3.48Å; K34-L52 HydrophobicContact CG-CG 4.02Å; L52-L59 HydrophobicContact CB-CB 3.99Å; L52-L59 HydrophobicContact CB-CD2 4.24Å; L52-L59 WeakPolarHBondContact O-CB 3.47Å; L52-L59 PolarHBondContact O-N 3.27Å; L52-V80 HydrophobicContact CB-CG1 3.83Å; L52-V80 HydrophobicContact CD2-CG1 3.89Å; L52-V80 HydrophobicContact CG-CG1 4.3Å; L52-H81 CarbonylContact C-O 3.55Å; L52-H81 WeakPolarHBondContact CA-O 3.49Å; L52-L82 HydrophobicContact CD2-CB 4.18Å; L52-L82 HydrophobicContact CD2-CD1 3.7Å |
| 53 | V | 85.7 | Confident | 78.5 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 117.8 | 178 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | Y57 L58 V80 H81 I83 | V53-Y57 CarbonylContact C-O 3.53Å; V53-Y57 VanDerWaalsContact CA-O 3.29Å; V53-Y57 WeakPolarHBondContact CA-O 3.33Å; V53-L58 HydrophobicContact CG2-CD1 3.92Å; V53-V80 CarbonylContact O-C 3.59Å; V53-V80 WeakPolarHBondContact O-CA 3Å; V53-H81 HydrophobicContact CB-CB 4.29Å; V53-H81 PolarHBondContact N-O 3.12Å; V53-H81 PolarHBondContact O-N 2.84Å; V53-I83 HydrophobicContact CG2-CD1 3.77Å |
| 54 | C | 83.5 | Confident | 78.9 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.027 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.1 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | G56 Y57 L59 V80 | C54-G56 PolarHBondContact O-N 3.23Å; C54-Y57 PolarHBondContact N-O 3.37Å; C54-Y57 WeakPolarHBondContact O-CB 3.49Å; C54-Y57 PolarHBondContact O-N 2.91Å; C54-L59 HydrophobicContact CB-CD1 3.41Å; C54-L59 VanDerWaalsContact CB-CD1 3.41Å; C54-V80 HydrophobicContact CB-CG2 4.07Å |
| 55 | A | 76.5 | Confident | 79.2 | Confident | 75 Ų | 75 | 66 Ų | 66 | 62% | 0.62 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 33 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 56 | G | 75.5 | Confident | 79.5 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 62% | 0.619 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -8.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | C54 | C54-G56 PolarHBondContact O-N 3.23Š|
| 57 | Y | 80.3 | Confident | 79.2 | Confident | 136 Ų | 136 | 65.1 Ų | 65.1 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128 | 175.4 | -63.9 | -84.3 | 0 | 0 | 0 | 110.7 | V53 C54 L59 | V53-Y57 CarbonylContact C-O 3.53Å; V53-Y57 VanDerWaalsContact CA-O 3.29Å; V53-Y57 WeakPolarHBondContact CA-O 3.33Å; C54-Y57 PolarHBondContact N-O 3.37Å; C54-Y57 WeakPolarHBondContact O-CB 3.49Å; C54-Y57 PolarHBondContact O-N 2.91Å; Y57-L59 WeakPolarHBondContact O-CD1 3.03Å; Y57-L59 PolarHBondContact O-N 2.87Å |
| 58 | L | 83.3 | Confident | 79 | Confident | 76 Ų | 76 | 69 Ų | 69 | 40% | 0.398 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 120.9 | 167.4 | -177.9 | 67.6 | 0 | 0 | 0 | 108.2 | R51 V53 E60 | R51-L58 HydrophobicContact CB-CD1 3.92Å; R51-L58 HydrophobicContact CG-CD1 4.29Å; V53-L58 HydrophobicContact CG2-CD1 3.92Å; L58-E60 PolarHBondContact O-N 3.45Å |
| 59 | L | 82.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 103 | 175.9 | -88 | 67.3 | 0 | 0 | 0 | 108.2 | V30 L33 L52 C54 Y57 L66 Y69 | V30-L59 HydrophobicContact CG1-CB 3.71Å; V30-L59 HydrophobicContact CG1-CD2 4.21Å; V30-L59 HydrophobicContact CG1-CG 4.35Å; V30-L59 HydrophobicContact CG2-CB 4.23Å; V30-L59 HydrophobicContact CG2-CD2 4.06Å; V30-L59 HydrophobicContact CG2-CG 4.09Å; L33-L59 HydrophobicContact CD2-CD2 4.34Å; L52-L59 HydrophobicContact CB-CB 3.99Å; L52-L59 HydrophobicContact CB-CD2 4.24Å; L52-L59 WeakPolarHBondContact O-CB 3.47Å; L52-L59 PolarHBondContact O-N 3.27Å; C54-L59 HydrophobicContact CB-CD1 3.41Å; C54-L59 VanDerWaalsContact CB-CD1 3.41Å; Y57-L59 WeakPolarHBondContact O-CD1 3.03Å; Y57-L59 PolarHBondContact O-N 2.87Å; L59-L66 HydrophobicContact CD2-CD1 3.47Å; L59-L66 VanDerWaalsContact CD2-CD1 3.47Å; L59-Y69 HydrophobicContact CD1-CD1 4.01Å; L59-Y69 HydrophobicContact CD1-CE1 4.5Å; L59-Y69 HydrophobicContact CD1-CG 4.09Å; L59-Y69 HydrophobicContact CG-CD1 4.3Å; L59-Y69 HydrophobicContact CG-CD2 4.2Å; L59-Y69 HydrophobicContact CG-CE2 4.45Å; L59-Y69 HydrophobicContact CG-CG 4.12Å |
| 60 | E | 80.2 | Confident | 78.5 | Confident | 107 Ų | 107 | 63.3 Ų | 63.3 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | trans | -70.1 | 154.7 | 175.3 | -65.8 | 178.1 | 173.9 | 0 | 0 | 110.7 | V30 L58 D62 | V30-E60 VanDerWaalsContact CG1-O 3.28Å; V30-E60 WeakPolarHBondContact CG1-O 3.41Å; L58-E60 PolarHBondContact O-N 3.45Å; E60-D62 PolarHBondContact O-N 2.88Å | ||
| 61 | D | 72.5 | Confident | 77.6 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -68.8 | 7.9 | -178.5 | -74.5 | -56.5 | 0 | 0 | 0 | 114.6 | K34 | K34-D61 WeakPolarHBondContact CD-OD1 3.29Å; K34-D61 WeakPolarHBondContact CE-OD1 3.43Å; K34-D61 IonicContact NZ-OD1 3.07Å; K34-D61 PolarHBondContact NZ-OD1 3.28Å; K34-D61 IonicContact NZ-OD2 3.97Å; K34-D61 PolarHBondContact NZ-OD2 3.21Å; K34-D61 VanDerWaalsContact NZ-OD2 3.09Å |
| 62 | D | 72.1 | Confident | 76.6 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 42% | 0.422 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -63.7 | 151.2 | 177.9 | -70.8 | -12.4 | 0 | 0 | 0 | 111.2 | E60 R64 | E60-D62 PolarHBondContact O-N 2.88Å; D62-R64 HydrophobicContact CB-CG 4.19Å; D62-R64 PolarHBondContact O-N 3.06Å |
| 63 | N | 65.8 | Low | 75.3 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 68% | 0.684 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -69.3 | 27.2 | 175 | -72.1 | -13 | 0 | 0 | 0 | 113.2 | ||
| 64 | R | 76.1 | Confident | 74 | Confident | 134 Ų | 134 | 80.1 Ų | 80.1 | 51% | 0.506 | 42% | 0.415 | S | S | . | . | trans | -68.4 | 143.6 | 174.2 | -72.9 | -178.3 | -178.4 | -97.8 | 2.8 | 109.7 | T29 V30 D62 Y69 | T29-R64 WeakPolarHBondContact CA-O 3.49Å; V30-R64 PolarHBondContact N-O 3.11Å; D62-R64 HydrophobicContact CB-CG 4.19Å; D62-R64 PolarHBondContact O-N 3.06Å; R64-Y69 HydrophobicContact CB-CE2 4.07Å; R64-Y69 WeakPolarHBondContact CD-OH 3.42Å | ||
| 65 | L | 80 | Confident | 73.1 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 41% | 0.408 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 135.4 | 177.3 | -70 | 164.5 | 0 | 0 | 0 | 108.7 | K67 D68 | L65-K67 PolarHBondContact O-N 2.81Å; L65-K67 VanDerWaalsContact O-N 3.14Å; L65-D68 PolarHBondContact O-N 3.39Å; L65-D68 VanDerWaalsContact O-N 3.09Å |
| 66 | L | 79.2 | Confident | 72.6 | Confident | 2 Ų | 2 | 82.9 Ų | 82.9 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -61.1 | -27 | 179.8 | -168.5 | 68.7 | 0 | 0 | 0 | 111.7 | V8 V24 W28 V30 L33 L59 D68 Y69 L70 | V8-L66 HydrophobicContact CG2-CD2 4.39Å; V24-L66 HydrophobicContact CB-CD2 4.15Å; V24-L66 HydrophobicContact CG1-CD2 3.45Å; V24-L66 VanDerWaalsContact CG1-CD2 3.45Å; V24-L66 HydrophobicContact CG2-CD2 4.04Å; W28-L66 WeakPolarHBondContact O-CB 3.28Å; W28-L66 PolarHBondContact O-N 3.5Å; V30-L66 HydrophobicContact CG2-CD1 4.36Å; L33-L66 HydrophobicContact CB-CD2 4.43Å; L33-L66 HydrophobicContact CD1-CD2 4.5Å; L33-L66 HydrophobicContact CD2-CD1 3.61Å; L33-L66 HydrophobicContact CD2-CD2 3.79Å; L33-L66 HydrophobicContact CD2-CG 4.37Å; L33-L66 HydrophobicContact CG-CD2 4.47Å; L59-L66 HydrophobicContact CD2-CD1 3.47Å; L59-L66 VanDerWaalsContact CD2-CD1 3.47Å; L66-D68 PolarHBondContact O-N 2.98Å; L66-Y69 PolarHBondContact O-N 2.89Å; L66-L70 HydrophobicContact CB-CD1 4.24Å; L66-L70 HydrophobicContact CD2-CD1 3.47Å; L66-L70 VanDerWaalsContact CD2-CD1 3.47Å; L66-L70 HydrophobicContact CD2-CG 4.29Å; L66-L70 HydrophobicContact CG-CD1 3.46Å; L66-L70 VanDerWaalsContact CG-CD1 3.46Å; L66-L70 HydrophobicContact CG-CG 3.87Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 2.8Å |
| 67 | K | 76 | Confident | 72.2 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 38% | 0.378 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -55.7 | -29.5 | 175.1 | -169.6 | 173.6 | -175 | 172.6 | 0 | 113.6 | E26 L65 Y69 L70 | E26-K67 HydrophobicContact CB-CD 4.39Å; E26-K67 VanDerWaalsContact CD-NZ 3.26Å; E26-K67 HydrophobicContact CG-CD 4.44Å; E26-K67 IonicContact OE1-NZ 2.65Å; E26-K67 PolarHBondContact OE1-NZ 3.26Å; E26-K67 IonicContact OE2-NZ 3.09Å; E26-K67 PolarHBondContact OE2-NZ 3.02Å; L65-K67 PolarHBondContact O-N 2.81Å; L65-K67 VanDerWaalsContact O-N 3.14Å; K67-Y69 PolarHBondContact O-N 2.97Å; K67-L70 VanDerWaalsContact O-O 3.1Å |
| 68 | D | 76.2 | Confident | 72.1 | Confident | 105 Ų | 105 | 81.8 Ų | 81.8 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -69.6 | -26.9 | 178.7 | -63.9 | -18.7 | 0 | 0 | 0 | 111.9 | L65 L66 | L65-D68 PolarHBondContact O-N 3.39Å; L65-D68 VanDerWaalsContact O-N 3.09Å; L66-D68 PolarHBondContact O-N 2.98Å |
| 69 | Y | 74 | Confident | 72.1 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -31.9 | 177.3 | -60 | -82.4 | 0 | 0 | 0 | 112.4 | V30 L59 R64 L66 K67 R71 | V30-Y69 HydrophobicContact CG2-CD2 4.2Å; V30-Y69 HydrophobicContact CG2-CE2 3.86Å; L59-Y69 HydrophobicContact CD1-CD1 4.01Å; L59-Y69 HydrophobicContact CD1-CE1 4.5Å; L59-Y69 HydrophobicContact CD1-CG 4.09Å; L59-Y69 HydrophobicContact CG-CD1 4.3Å; L59-Y69 HydrophobicContact CG-CD2 4.2Å; L59-Y69 HydrophobicContact CG-CE2 4.45Å; L59-Y69 HydrophobicContact CG-CG 4.12Å; R64-Y69 HydrophobicContact CB-CE2 4.07Å; R64-Y69 WeakPolarHBondContact CD-OH 3.42Å; L66-Y69 PolarHBondContact O-N 2.89Å; K67-Y69 PolarHBondContact O-N 2.97Å; Y69-R71 PolarHBondContact O-N 2.82Å |
| 70 | L | 74.4 | Confident | 72.3 | Confident | 7 Ų | 7 | 80.7 Ų | 80.7 | 4% | 0.037 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -85.3 | 88 | 178.1 | -62.2 | 171.1 | 0 | 0 | 0 | 109.4 | V6 V8 L66 K67 P72 H78 | V6-L70 HydrophobicContact CG1-CD1 4.17Å; V8-L70 HydrophobicContact CG2-CD1 3.89Å; V8-L70 HydrophobicContact CG2-CD2 3.84Å; L66-L70 HydrophobicContact CB-CD1 4.24Å; L66-L70 HydrophobicContact CD2-CD1 3.47Å; L66-L70 VanDerWaalsContact CD2-CD1 3.47Å; L66-L70 HydrophobicContact CD2-CG 4.29Å; L66-L70 HydrophobicContact CG-CD1 3.46Å; L66-L70 VanDerWaalsContact CG-CD1 3.46Å; L66-L70 HydrophobicContact CG-CG 3.87Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 2.8Å; K67-L70 VanDerWaalsContact O-O 3.1Å; L70-P72 WeakPolarHBondContact O-CD 3.26Å; L70-P72 VanDerWaalsContact O-N 3.09Å; L70-H78 HydrophobicContact CD2-CB 3.28Å; L70-H78 VanDerWaalsContact CD2-CD2 3.43Å; L70-H78 WeakPolarHBondContact CD2-CD2 3.39Å |
| 71 | R | 67.3 | Low | 72.6 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | trans | -66.7 | 103.8 | 176.6 | -82.6 | -170.3 | -91.6 | -176 | -6.2 | 110.7 | Y69 E73 V74 H78 | Y69-R71 PolarHBondContact O-N 2.82Å; R71-E73 PolarHBondContact O-N 2.87Å; R71-V74 HydrophobicContact CB-CG2 4.02Å; R71-V74 PolarHBondContact O-N 2.78Å; R71-H78 PolarHBondContact O-CE1 2.8Å | ||
| 72 | P | 61.7 | Low | 73.2 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 47% | 0.468 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -61.8 | -24.5 | -174.1 | -16.4 | 30.9 | 0 | 0 | 0 | 112.2 | L70 V74 G75 | L70-P72 WeakPolarHBondContact O-CD 3.26Å; L70-P72 VanDerWaalsContact O-N 3.09Å; P72-V74 PolarHBondContact O-N 3.31Å; P72-G75 PolarHBondContact O-N 3.3Å |
| 73 | E | 58.4 | Low | 73.8 | Confident | 176 Ų | 176 | 74.7 Ų | 74.7 | 82% | 0.822 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -59.4 | -23.8 | 177.7 | -64 | 158.2 | -176 | 0 | 0 | 113.8 | R71 G75 | R71-E73 PolarHBondContact O-N 2.87Å; E73-G75 VanDerWaalsContact C-N 3.33Å |
| 74 | V | 60 | Low | 74.3 | Confident | 113 Ų | 113 | 70.9 Ų | 70.9 | 69% | 0.685 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -88.8 | -5.9 | -179.7 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | R71 P72 | R71-V74 HydrophobicContact CB-CG2 4.02Å; R71-V74 PolarHBondContact O-N 2.78Å; P72-V74 PolarHBondContact O-N 3.31Å |
| 75 | G | 63.5 | Low | 73.9 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | trans | 108.6 | 166.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P72 E73 H77 H78 | P72-G75 PolarHBondContact O-N 3.3Å; E73-G75 VanDerWaalsContact C-N 3.33Å; G75-H77 PolarHBondContact O-N 3.03Å; G75-H78 PolarHBondContact O-CE1 2.81Å; G75-H78 PolarHBondContact O-NE2 3.43Å | ||
| 76 | N | 65.9 | Low | 72.6 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 57% | 0.572 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -74.6 | 6.2 | -172.1 | -61.2 | -24 | 0 | 0 | 0 | 115 | V7 | V7-N76 PolarHBondContact N-O 3.2Å; V7-N76 VanDerWaalsContact O-O 3.07Å |
| 77 | H | 67.9 | Low | 70.8 | Confident | 157 Ų | 157 | 75.7 Ų | 75.7 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 96.9 | -177.1 | -65.4 | 111.7 | 0 | 0 | 0 | 109.6 | G75 | G75-H77 PolarHBondContact O-N 3.03Å |
| 78 | H | 78 | Confident | 68.9 | Low | 17 Ų | 17 | 79.9 Ų | 79.9 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.9 | 175.6 | -64.5 | -68.4 | 0 | 0 | 0 | 110.7 | V6 V7 K9 L70 R71 G75 | V6-H78 VanDerWaalsContact CG1-CD2 3.49Å; V6-H78 WeakPolarHBondContact CG1-CD2 3.47Å; V7-H78 PolarHBondContact O-N 2.66Å; K9-H78 PolarHBondContact N-O 3.22Å; L70-H78 HydrophobicContact CD2-CB 3.28Å; L70-H78 VanDerWaalsContact CD2-CD2 3.43Å; L70-H78 WeakPolarHBondContact CD2-CD2 3.39Å; R71-H78 PolarHBondContact O-CE1 2.8Å; G75-H78 PolarHBondContact O-CE1 2.81Å; G75-H78 PolarHBondContact O-NE2 3.43Å |
| 79 | V | 82.6 | Confident | 67.2 | Low | 54 Ų | 54 | 83.8 Ų | 83.8 | 33% | 0.327 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.6 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | K9 R11 | K9-V79 WeakPolarHBondContact O-CA 3.47Å; R11-V79 HydrophobicContact CG-CG1 4.24Å |
| 80 | V | 86.2 | Confident | 65.5 | Low | 0 Ų | 0 | 90.1 Ų | 90.1 | 0% | 0 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.3 | 174.9 | 176.6 | 0 | 0 | 0 | 0 | 108.1 | V8 K9 V10 R11 L52 V53 C54 | V8-V80 HydrophobicContact CG1-CB 4.03Å; V8-V80 HydrophobicContact CG1-CG2 3.4Å; K9-V80 PolarHBondContact O-N 2.86Å; V10-V80 CarbonylContact C-O 3.58Å; V10-V80 VanDerWaalsContact CA-O 3.26Å; V10-V80 WeakPolarHBondContact CA-O 3.46Å; V10-V80 HydrophobicContact CG2-CB 4.37Å; R11-V80 PolarHBondContact N-O 2.77Å; L52-V80 HydrophobicContact CB-CG1 3.83Å; L52-V80 HydrophobicContact CD2-CG1 3.89Å; L52-V80 HydrophobicContact CG-CG1 4.3Å; V53-V80 CarbonylContact O-C 3.59Å; V53-V80 WeakPolarHBondContact O-CA 3Å; C54-V80 HydrophobicContact CB-CG2 4.07Å |
| 81 | H | 86.5 | Confident | 63.8 | Low | 67 Ų | 67 | 95.2 Ų | 95.2 | 31% | 0.31 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.4 | 176.3 | -67.7 | -87.3 | 0 | 0 | 0 | 109.8 | R11 V13 L52 V53 | R11-H81 CarbonylContact O-C 3.6Å; R11-H81 WeakPolarHBondContact O-CA 3.47Å; V13-H81 HydrophobicContact CG2-CB 4.13Å; L52-H81 CarbonylContact C-O 3.55Å; L52-H81 WeakPolarHBondContact CA-O 3.49Å; V53-H81 HydrophobicContact CB-CB 4.29Å; V53-H81 PolarHBondContact N-O 3.12Å; V53-H81 PolarHBondContact O-N 2.84Å |
| 82 | L | 84.7 | Confident | 62.2 | Low | 0 Ų | 0 | 94.1 Ų | 94.1 | 0% | 0 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.7 | 176.2 | 172 | 65 | 0 | 0 | 0 | 110.1 | V10 R11 V13 V37 F41 P45 Q50 L52 | V10-L82 HydrophobicContact CG1-CB 3.82Å; V10-L82 HydrophobicContact CG1-CD2 4.41Å; R11-L82 PolarHBondContact O-N 2.93Å; V13-L82 WeakPolarHBondContact CG2-O 3.38Å; V13-L82 PolarHBondContact N-O 2.8Å; V37-L82 HydrophobicContact CG1-CD1 4.12Å; V37-L82 HydrophobicContact CG1-CD2 3.64Å; V37-L82 HydrophobicContact CG1-CG 4.45Å; F41-L82 HydrophobicContact CB-CD2 4.5Å; F41-L82 HydrophobicContact CD1-CD2 3.72Å; F41-L82 HydrophobicContact CD2-CD2 4.05Å; F41-L82 HydrophobicContact CE1-CD2 3.96Å; F41-L82 HydrophobicContact CE2-CD2 4.26Å; F41-L82 HydrophobicContact CG-CD2 3.8Å; F41-L82 HydrophobicContact CZ-CD2 4.24Å; P45-L82 HydrophobicContact CG-CD2 4.18Å; Q50-L82 HydrophobicContact CB-CD1 4.01Å; Q50-L82 HydrophobicContact CG-CD1 3.93Å; L52-L82 HydrophobicContact CD2-CB 4.18Å; L52-L82 HydrophobicContact CD2-CD1 3.7Å |
| 83 | I | 84.7 | Confident | 61.2 | Low | 66 Ų | 66 | 96.9 Ų | 96.9 | 34% | 0.338 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.4 | 174.4 | -58.3 | 162.1 | 0 | 0 | 0 | 107.6 | V13 R51 V53 | V13-I83 HydrophobicContact CB-CG1 4.35Å; V13-I83 HydrophobicContact CG2-CG1 3.69Å; R51-I83 HydrophobicContact CB-CB 4.07Å; R51-I83 PolarHBondContact N-O 2.79Å; R51-I83 PolarHBondContact O-N 3.47Å; V53-I83 HydrophobicContact CG2-CD1 3.77Å |
| 84 | C | 77.2 | Confident | 60.1 | Low | 48 Ų | 48 | 91.7 Ų | 91.7 | 32% | 0.324 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.9 | 174.6 | -55.2 | 0 | 0 | 0 | 0 | 109 | P45 G86 | P45-C84 HydrophobicContact CB-CB 4.31Å; P45-C84 WeakPolarHBondContact CB-SG 3.43Å; C84-G86 PolarHBondContact O-N 3.06Å |
| 85 | K | 67.3 | Low | 58.6 | Low | 112 Ų | 112 | 91.6 Ų | 91.6 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | trans | -78 | 104.3 | 171.1 | -74.7 | -174.6 | 152.4 | -165.5 | 0 | 109.6 | S49 | S49-K85 PolarHBondContact O-N 3.03Š| ||
| 86 | G | 53.1 | Low | 57.6 | Low | 64 Ų | 64 | 98.5 Ų | 98.5 | 66% | 0.66 | 57% | 0.57 | S | S | * | * | trans | 38.3 | 83.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117 | C84 M88 | C84-G86 PolarHBondContact O-N 3.06Å; G86-M88 PolarHBondContact O-N 3.25Å | ||
| 87 | C | 40.4 | Very low | 56.5 | Low | 140 Ų | 140 | 101.3 Ų | 101.3 | 95% | 0.946 | 58% | 0.58 | S | S | * | * | trans | -75.5 | 77.5 | 146.3 | -168.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 88 | M | 37.3 | Very low | 55 | Low | 175 Ų | 175 | 99.9 Ų | 99.9 | 86% | 0.862 | 59% | 0.585 | S | S | * | * | trans | -138.2 | 97.4 | 166.1 | -90 | -95.8 | -129.5 | 0 | 0 | 103.6 | G86 E90 | G86-M88 PolarHBondContact O-N 3.25Å; M88-E90 PolarHBondContact O-N 3.13Å; M88-E90 VanDerWaalsContact O-N 3.15Å | ||
| 89 | E | 40.9 | Very low | 53.4 | Low | 187 Ų | 187 | 108.8 Ų | 108.8 | 87% | 0.874 | 63% | 0.626 | S | S | * | * | trans | -50.1 | 119.2 | 168 | -77.8 | 174.5 | 119.9 | 0 | 0 | 108.2 | P91 | E89-P91 WeakPolarHBondContact O-CD 3.11Š| ||
| 90 | E | 37.5 | Very low | 51.4 | Low | 172 Ų | 172 | 116.3 Ų | 116.3 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | trans | -61.6 | 122.4 | 164.2 | -138.5 | -138.3 | 133.4 | 0 | 0 | 106.7 | M88 S92 | M88-E90 PolarHBondContact O-N 3.13Å; M88-E90 VanDerWaalsContact O-N 3.15Å; E90-S92 VanDerWaalsContact C-N 3.33Å; E90-S92 PolarHBondContact O-N 3.06Å | ||
| 91 | P | 37.8 | Very low | 49.4 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 74% | 0.74 | 68% | 0.683 | S | S | * | * | trans | -68.9 | 96.4 | 179.2 | 26.1 | -30.1 | 0 | 0 | 0 | 108.6 | E89 | E89-P91 WeakPolarHBondContact O-CD 3.11Š| ||
| 92 | S | 34.7 | Very low | 47.2 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -55.6 | 126.2 | 172.9 | -173.4 | 0 | 0 | 0 | 0 | 110 | E90 G94 | E90-S92 VanDerWaalsContact C-N 3.33Å; E90-S92 PolarHBondContact O-N 3.06Å; S92-G94 PolarHBondContact O-N 3.03Å | ||
| 93 | P | 40.3 | Very low | 45 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -80.3 | 102.8 | -179.5 | 30.6 | -29.9 | 0 | 0 | 0 | 109.3 | ||||
| 94 | G | 34.9 | Very low | 42.9 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 167.3 | 123.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | S92 | S92-G94 PolarHBondContact O-N 3.03Š| ||
| 95 | C | 29.7 | Very low | 41.2 | Very low | 110 Ų | 110 | 136 Ų | 136 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 86.4 | 93.4 | 153.7 | -160.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 96 | I | 41.6 | Very low | 40 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | -143.1 | 138.9 | 125.8 | -58.2 | -166.6 | 0 | 0 | 0 | 108.8 | |||||
| 97 | Q | 43.8 | Very low | 39.6 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -82.4 | 167.6 | -161.2 | -66 | 175.2 | 53.3 | 0 | 0 | 115.3 | ||||
| 98 | P | 35.5 | Very low | 39.7 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -94.4 | 138.9 | -175.4 | 35.9 | -28.3 | 0 | 0 | 0 | 112.7 | ||||
| 99 | E | 44.6 | Very low | 40.2 | Very low | 204 Ų | 204 | 138 Ų | 138 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -135.9 | 150.3 | 162.6 | -155.6 | 165.6 | 88.8 | 0 | 0 | 110.7 | ||||
| 100 | R | 41.9 | Very low | 40.3 | Very low | 211 Ų | 211 | 137.5 Ų | 137.5 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -124.9 | 165.8 | -138.4 | -172.6 | -159 | 171.4 | 145.5 | -1.1 | 110.1 | ||||
| 101 | E | 43.7 | Very low | 40.6 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | 88.8 | 129.9 | 157.6 | -45.8 | -172.5 | 140.1 | 0 | 0 | 116.7 | ||||
| 102 | T | 40.2 | Very low | 40.9 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | cis | -162.9 | 151.2 | 32.8 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 103 | P | 38 | Very low | 41.2 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -110.7 | 156.7 | 179.9 | 39.3 | -28.9 | 0 | 0 | 0 | 115.4 | ||||
| 104 | A | 41 | Very low | 41.5 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -170.9 | 107 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 105 | A | 40.5 | Very low | 41.8 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | 79.6 | 107.8 | 89.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 106 | S | 43.5 | Very low | 42.7 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 166.7 | 127.7 | 120.9 | -88 | 0 | 0 | 0 | 0 | 114 | |||||
| 107 | E | 43.9 | Very low | 42.8 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | 92.6 | 126.1 | 144.4 | -62.7 | 174.4 | 139.9 | 0 | 0 | 121.4 | ||||
| 108 | T | 43.4 | Very low | 43.1 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -122.8 | -171.9 | -168.4 | -32.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 109 | P | 46.1 | Very low | 43.5 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | -119.2 | 172.5 | -72 | 36 | -20.3 | 0 | 0 | 0 | 113.9 | |||||
| 110 | Q | 42.9 | Very low | 43.3 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 149.6 | 110 | 135.4 | -87.8 | -178.8 | -84.6 | 0 | 0 | 111.5 | ||||
| 111 | N | 44 | Very low | 43.6 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | 180 | 138.9 | 112.2 | -110 | -1.1 | 0 | 0 | 0 | 112.9 | |||||
| 112 | D | 45.4 | Very low | 43.6 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -16.5 | 145.2 | 167.7 | -62.8 | -80.1 | 0 | 0 | 0 | 122 | ||||
| 113 | G | 40.9 | Very low | 43.9 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 146.1 | 105.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 114 | P | 46.1 | Very low | 44.7 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -88.6 | 131.8 | 179.3 | 34.1 | -27.8 | 0 | 0 | 0 | 110.3 | ||||
| 115 | N | 42.3 | Very low | 45.2 | Very low | 158 Ų | 158 | 124 Ų | 124 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -171.5 | 138.8 | 141.7 | -112.8 | -10.7 | 0 | 0 | 0 | 115.2 | ||||
| 116 | S | 48.2 | Very low | 45.9 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 58.8 | 94.3 | 150.2 | 56.1 | 0 | 0 | 0 | 0 | 118.5 | D118 | S116-D118 PolarHBondContact O-N 3.21Š| ||
| 117 | S | 43.5 | Very low | 46.8 | Very low | 126 Ų | 126 | 122 Ų | 122 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | trans | -59.7 | 112.8 | 146.6 | 34.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 118 | D | 48.9 | Very low | 47.4 | Very low | 159 Ų | 159 | 119.7 Ų | 119.7 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | -113 | 101 | 164.6 | -152.3 | -0.5 | 0 | 0 | 0 | 107.2 | S116 G120 | S116-D118 PolarHBondContact O-N 3.21Å; D118-G120 VanDerWaalsContact C-N 3.3Å; D118-G120 PolarHBondContact O-N 3.07Å; D118-G120 VanDerWaalsContact O-N 3.12Å | ||
| 119 | E | 44.8 | Very low | 48.4 | Very low | 174 Ų | 174 | 116.4 Ų | 116.4 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | trans | -83.7 | 76.8 | -179.5 | -153.3 | 176.9 | 111.4 | 0 | 0 | 107.8 | L121 | E119-L121 HydrophobicContact CG-CD1 4.17Å; E119-L121 PolarHBondContact O-N 3.24Å; E119-L121 VanDerWaalsContact O-N 3.09Å | ||
| 120 | G | 41.3 | Very low | 49.4 | Very low | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -78.8 | 77.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D118 A122 | D118-G120 VanDerWaalsContact C-N 3.3Å; D118-G120 PolarHBondContact O-N 3.07Å; D118-G120 VanDerWaalsContact O-N 3.12Å; G120-A122 PolarHBondContact O-N 3.43Å | ||
| 121 | L | 48.1 | Very low | 50.7 | Low | 140 Ų | 140 | 115.6 Ų | 115.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -69 | 117.8 | 169.4 | -112.8 | 80.2 | 0 | 0 | 0 | 110 | E119 P123 | E119-L121 HydrophobicContact CG-CD1 4.17Å; E119-L121 PolarHBondContact O-N 3.24Å; E119-L121 VanDerWaalsContact O-N 3.09Å; L121-P123 VanDerWaalsContact O-CD 3.3Å; L121-P123 WeakPolarHBondContact O-CD 3.33Å | ||
| 122 | A | 42.7 | Very low | 52.3 | Low | 99 Ų | 99 | 114.8 Ų | 114.8 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -70.2 | 126.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G120 | G120-A122 PolarHBondContact O-N 3.43Š| ||
| 123 | P | 47.1 | Very low | 53.7 | Low | 107 Ų | 107 | 113.6 Ų | 113.6 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | trans | -127.1 | 76.6 | 165.5 | 36.1 | -16.3 | 0 | 0 | 0 | 109.1 | L121 | L121-P123 VanDerWaalsContact O-CD 3.3Å; L121-P123 WeakPolarHBondContact O-CD 3.33Å | ||
| 124 | S | 53.5 | Low | 55.6 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | trans | -134.8 | -4.7 | -171.3 | -158.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 125 | A | 53.4 | Low | 57.2 | Low | 82 Ų | 82 | 113.2 Ų | 113.2 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -114.3 | -34.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 126 | A | 54.5 | Low | 58.9 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.7 | -31.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D130 | A126-D130 PolarHBondContact O-N 3.09Å |
| 127 | T | 61.9 | Low | 60.6 | Low | 85 Ų | 85 | 107.8 Ų | 107.8 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74.3 | -30.1 | -178 | 40.9 | 0 | 0 | 0 | 0 | 113.4 | H131 | T127-H131 WeakPolarHBondContact O-CB 2.89Å; T127-H131 PolarHBondContact O-N 3.4Å |
| 128 | E | 57.5 | Low | 62.4 | Low | 139 Ų | 139 | 106 Ų | 106 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -40.7 | 177.4 | -76.1 | -170.1 | 145.6 | 0 | 0 | 112.1 | H131 L132 | E128-H131 PolarHBondContact O-N 2.96Å; E128-L132 WeakPolarHBondContact O-CB 2.98Å; E128-L132 PolarHBondContact O-N 2.89Å |
| 129 | A | 63.8 | Low | 64 | Low | 65 Ų | 65 | 106 Ų | 106 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.3 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L132 Y133 | A129-L132 PolarHBondContact O-N 3.04Å; A129-Y133 WeakPolarHBondContact O-CB 3.48Å; A129-Y133 PolarHBondContact O-N 2.87Å |
| 130 | D | 67.9 | Low | 65.8 | Low | 115 Ų | 115 | 101.7 Ų | 101.7 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 174.7 | -88.9 | -19.9 | 0 | 0 | 0 | 112 | A126 L132 Y133 L134 | A126-D130 PolarHBondContact O-N 3.09Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 2.72Å; D130-Y133 PolarHBondContact O-N 3.4Å; D130-L134 WeakPolarHBondContact O-CB 3.46Å; D130-L134 PolarHBondContact O-N 2.74Å |
| 131 | H | 70.2 | Confident | 67.7 | Low | 147 Ų | 147 | 105 Ų | 105 | 68% | 0.681 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.5 | -34.6 | 177.9 | -148.2 | -70.6 | 0 | 0 | 0 | 111.8 | T127 E128 S135 | T127-H131 WeakPolarHBondContact O-CB 2.89Å; T127-H131 PolarHBondContact O-N 3.4Å; E128-H131 PolarHBondContact O-N 2.96Å; H131-S135 VanDerWaalsContact O-CB 3.3Å; H131-S135 WeakPolarHBondContact O-CB 3.47Å; H131-S135 PolarHBondContact O-N 2.81Å; H131-S135 PolarHBondContact O-OG 3.36Å |
| 132 | L | 75.8 | Confident | 69.6 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 65% | 0.654 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67 | -45.6 | 173.9 | -149 | 90.3 | 0 | 0 | 0 | 110.9 | E128 A129 D130 S135 M136 | E128-L132 WeakPolarHBondContact O-CB 2.98Å; E128-L132 PolarHBondContact O-N 2.89Å; A129-L132 PolarHBondContact O-N 3.04Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 2.72Å; L132-S135 PolarHBondContact O-N 2.76Å; L132-S135 PolarHBondContact O-OG 3.09Å; L132-M136 WeakPolarHBondContact O-CB 3.41Å; L132-M136 PolarHBondContact O-N 2.88Å |
| 133 | Y | 76.2 | Confident | 71.7 | Confident | 130 Ų | 130 | 102.7 Ų | 102.7 | 51% | 0.51 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.8 | -45 | 177.5 | -173.5 | -103.7 | 0 | 0 | 0 | 112.3 | A129 D130 S135 M136 L137 | A129-Y133 WeakPolarHBondContact O-CB 3.48Å; A129-Y133 PolarHBondContact O-N 2.87Å; D130-Y133 PolarHBondContact O-N 3.4Å; Y133-S135 PolarHBondContact O-N 3.21Å; Y133-M136 WeakPolarHBondContact O-CB 3.3Å; Y133-M136 PolarHBondContact O-N 3.12Å; Y133-L137 HydrophobicContact CD1-CD1 3.96Å; Y133-L137 HydrophobicContact CD2-CD1 4.28Å; Y133-L137 HydrophobicContact CE1-CD1 3.54Å; Y133-L137 HydrophobicContact CE1-CD2 4.44Å; Y133-L137 HydrophobicContact CE2-CD1 3.9Å; Y133-L137 HydrophobicContact CG-CD1 4.32Å; Y133-L137 VanDerWaalsContact CZ-CD1 3.5Å; Y133-L137 WeakPolarHBondContact O-CD1 3.5Å; Y133-L137 PolarHBondContact O-N 3.4Å |
| 134 | L | 79.7 | Confident | 73.6 | Confident | 124 Ų | 124 | 102.7 Ų | 102.7 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66 | -39.7 | 178.5 | -147.2 | 88 | 0 | 0 | 0 | 111.9 | D130 M136 L137 C138 | D130-L134 WeakPolarHBondContact O-CB 3.46Å; D130-L134 PolarHBondContact O-N 2.74Å; L134-M136 VanDerWaalsContact C-N 3.34Å; L134-L137 PolarHBondContact O-N 2.82Å; L134-C138 PolarHBondContact O-N 2.96Å |
| 135 | S | 79.5 | Confident | 75 | Confident | 61 Ų | 61 | 103.9 Ų | 103.9 | 43% | 0.427 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 176 | 74.3 | 0 | 0 | 0 | 0 | 112.2 | H131 L132 Y133 C138 Y139 | H131-S135 VanDerWaalsContact O-CB 3.3Å; H131-S135 WeakPolarHBondContact O-CB 3.47Å; H131-S135 PolarHBondContact O-N 2.81Å; H131-S135 PolarHBondContact O-OG 3.36Å; L132-S135 PolarHBondContact O-N 2.76Å; L132-S135 PolarHBondContact O-OG 3.09Å; Y133-S135 PolarHBondContact O-N 3.21Å; S135-C138 WeakPolarHBondContact O-CB 3.4Å; S135-C138 PolarHBondContact O-N 3.39Å; S135-Y139 PolarHBondContact O-N 3.41Å |
| 136 | M | 77.6 | Confident | 76.6 | Confident | 64 Ų | 64 | 102.6 Ų | 102.6 | 32% | 0.315 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.1 | -177.6 | -174.4 | 170 | 0 | 0 | 111.5 | V13 L132 Y133 L134 C138 Y139 Q140 | V13-M136 WeakPolarHBondContact O-CE 3.15Å; L132-M136 WeakPolarHBondContact O-CB 3.41Å; L132-M136 PolarHBondContact O-N 2.88Å; Y133-M136 WeakPolarHBondContact O-CB 3.3Å; Y133-M136 PolarHBondContact O-N 3.12Å; L134-M136 VanDerWaalsContact C-N 3.34Å; M136-C138 VanDerWaalsContact C-N 3.29Å; M136-C138 PolarHBondContact O-N 3.34Å; M136-Y139 PolarHBondContact O-N 3.03Å; M136-Q140 PolarHBondContact O-N 3.36Å |
| 137 | L | 84.6 | Confident | 78.2 | Confident | 81 Ų | 81 | 105.5 Ų | 105.5 | 42% | 0.424 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 174.6 | -101.2 | 77.1 | 0 | 0 | 0 | 111.6 | Y133 L134 Q140 Q141 | Y133-L137 HydrophobicContact CD1-CD1 3.96Å; Y133-L137 HydrophobicContact CD2-CD1 4.28Å; Y133-L137 HydrophobicContact CE1-CD1 3.54Å; Y133-L137 HydrophobicContact CE1-CD2 4.44Å; Y133-L137 HydrophobicContact CE2-CD1 3.9Å; Y133-L137 HydrophobicContact CG-CD1 4.32Å; Y133-L137 VanDerWaalsContact CZ-CD1 3.5Å; Y133-L137 WeakPolarHBondContact O-CD1 3.5Å; Y133-L137 PolarHBondContact O-N 3.4Å; L134-L137 PolarHBondContact O-N 2.82Å; L137-Q140 PolarHBondContact O-N 3.02Å; L137-Q141 WeakPolarHBondContact O-CB 3.38Å; L137-Q141 PolarHBondContact O-N 3.36Å |
| 138 | C | 80.7 | Confident | 79.1 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | L134 S135 M136 Q140 Q141 F142 | L134-C138 PolarHBondContact O-N 2.96Å; S135-C138 WeakPolarHBondContact O-CB 3.4Å; S135-C138 PolarHBondContact O-N 3.39Å; M136-C138 VanDerWaalsContact C-N 3.29Å; M136-C138 PolarHBondContact O-N 3.34Å; C138-Q140 PolarHBondContact O-N 3.39Å; C138-Q141 PolarHBondContact O-N 3.03Å; C138-F142 WeakPolarHBondContact O-CB 3.32Å; C138-F142 PolarHBondContact O-N 2.97Å |
| 139 | Y | 83 | Confident | 80.3 | Confident | 159 Ų | 159 | 100.2 Ų | 100.2 | 62% | 0.624 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 177.1 | -171.3 | -99.5 | 0 | 0 | 0 | 112.1 | S135 M136 F142 I143 | S135-Y139 PolarHBondContact O-N 3.41Å; M136-Y139 PolarHBondContact O-N 3.03Å; Y139-F142 WeakPolarHBondContact O-CB 3.16Å; Y139-F142 PolarHBondContact O-N 3.29Å; Y139-I143 HydrophobicContact CD1-CG1 4.05Å; Y139-I143 HydrophobicContact CE1-CD1 3.92Å; Y139-I143 HydrophobicContact CE1-CG1 3.72Å; Y139-I143 WeakPolarHBondContact O-CG1 3.39Å; Y139-I143 PolarHBondContact O-N 3.18Å |
| 140 | Q | 83.8 | Confident | 81.2 | Confident | 83 Ų | 83 | 104 Ų | 104 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 178 | -169.4 | 150 | 28.6 | 0 | 0 | 112.3 | M136 L137 C138 F142 I143 F144 | M136-Q140 PolarHBondContact O-N 3.36Å; L137-Q140 PolarHBondContact O-N 3.02Å; C138-Q140 PolarHBondContact O-N 3.39Å; Q140-F142 VanDerWaalsContact C-N 3.27Å; Q140-F142 PolarHBondContact O-N 3.42Å; Q140-I143 PolarHBondContact O-N 3.49Å; Q140-F144 WeakPolarHBondContact O-CB 3.37Å; Q140-F144 PolarHBondContact O-N 2.81Å |
| 141 | Q | 81.3 | Confident | 81.8 | Confident | 143 Ų | 143 | 101.9 Ų | 101.9 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.5 | -40.7 | 172.2 | -162.8 | 88.7 | 11.9 | 0 | 0 | 111 | L137 C138 F144 Y145 | L137-Q141 WeakPolarHBondContact O-CB 3.38Å; L137-Q141 PolarHBondContact O-N 3.36Å; C138-Q141 PolarHBondContact O-N 3.03Å; Q141-F144 PolarHBondContact O-N 3.39Å; Q141-Y145 WeakPolarHBondContact O-CB 3.49Å; Q141-Y145 PolarHBondContact O-N 2.9Å |
| 142 | F | 86.8 | Confident | 82.3 | Confident | 106 Ų | 106 | 101.7 Ų | 101.7 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 178.3 | 177.7 | -100.8 | 0 | 0 | 0 | 112.6 | C138 Y139 Q140 F144 Y145 C146 | C138-F142 WeakPolarHBondContact O-CB 3.32Å; C138-F142 PolarHBondContact O-N 2.97Å; Y139-F142 WeakPolarHBondContact O-CB 3.16Å; Y139-F142 PolarHBondContact O-N 3.29Å; Q140-F142 VanDerWaalsContact C-N 3.27Å; Q140-F142 PolarHBondContact O-N 3.42Å; F142-F144 VanDerWaalsContact C-N 3.32Å; F142-F144 PolarHBondContact O-N 3.01Å; F142-Y145 PolarHBondContact O-N 3.35Å; F142-C146 PolarHBondContact O-N 3.05Å; F142-C146 PolarHBondContact O-SG 2.92Å; F142-C146 VanDerWaalsContact O-SG 3.39Å |
| 143 | I | 86.7 | Confident | 82.3 | Confident | 84 Ų | 84 | 97.3 Ų | 97.3 | 43% | 0.431 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176 | -66 | -83.9 | 0 | 0 | 0 | 110.4 | Y139 Q140 Y145 C146 Y147 | Y139-I143 HydrophobicContact CD1-CG1 4.05Å; Y139-I143 HydrophobicContact CE1-CD1 3.92Å; Y139-I143 HydrophobicContact CE1-CG1 3.72Å; Y139-I143 WeakPolarHBondContact O-CG1 3.39Å; Y139-I143 PolarHBondContact O-N 3.18Å; Q140-I143 PolarHBondContact O-N 3.49Å; I143-Y145 PolarHBondContact O-N 2.81Å; I143-C146 PolarHBondContact O-N 2.88Å; I143-Y147 WeakPolarHBondContact O-CB 3.48Å; I143-Y147 PolarHBondContact O-N 2.65Å |
| 144 | F | 86.6 | Confident | 82.2 | Confident | 107 Ų | 107 | 94 Ų | 94 | 47% | 0.469 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.9 | -179.6 | -102.7 | 0 | 0 | 0 | 112 | Q140 Q141 F142 Y147 M148 | Q140-F144 WeakPolarHBondContact O-CB 3.37Å; Q140-F144 PolarHBondContact O-N 2.81Å; Q141-F144 PolarHBondContact O-N 3.39Å; F142-F144 VanDerWaalsContact C-N 3.32Å; F142-F144 PolarHBondContact O-N 3.01Å; F144-Y147 PolarHBondContact O-N 3.35Å; F144-M148 HydrophobicContact CD1-CG 4.21Å; F144-M148 HydrophobicContact CD2-CG 4.44Å; F144-M148 HydrophobicContact CE1-CE 4.43Å; F144-M148 HydrophobicContact CE1-CG 3.78Å; F144-M148 HydrophobicContact CE2-CG 4.03Å; F144-M148 HydrophobicContact CE2-SD 4.32Å; F144-M148 HydrophobicContact CZ-CE 3.91Å; F144-M148 HydrophobicContact CZ-CG 3.69Å; F144-M148 HydrophobicContact CZ-SD 4.05Å; F144-M148 WeakPolarHBondContact O-CG 3.48Å; F144-M148 PolarHBondContact O-N 3.01Å |
| 145 | Y | 83.4 | Confident | 82.1 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 175.5 | -179.8 | -93.6 | 0 | 0 | 0 | 111.8 | Q141 F142 I143 Y147 M148 A149 V370 | Q141-Y145 WeakPolarHBondContact O-CB 3.49Å; Q141-Y145 PolarHBondContact O-N 2.9Å; F142-Y145 PolarHBondContact O-N 3.35Å; I143-Y145 PolarHBondContact O-N 2.81Å; Y145-Y147 VanDerWaalsContact C-N 3.34Å; Y145-Y147 PolarHBondContact O-N 3.47Å; Y145-M148 PolarHBondContact O-N 2.95Å; Y145-A149 WeakPolarHBondContact O-CB 3.49Å; Y145-A149 PolarHBondContact O-N 3.25Å; Y145-V370 HydrophobicContact CE2-CG1 4.37Å; Y145-V370 WeakPolarHBondContact OH-CG1 3.27Å; Y145-V370 WeakPolarHBondContact OH-CG2 3.14Å |
| 146 | C | 87.9 | Confident | 81.5 | Confident | 55 Ų | 55 | 95.8 Ų | 95.8 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 176.2 | -72.6 | 0 | 0 | 0 | 0 | 112.3 | F142 I143 A149 Q150 | F142-C146 PolarHBondContact O-N 3.05Å; F142-C146 PolarHBondContact O-SG 2.92Å; F142-C146 VanDerWaalsContact O-SG 3.39Å; I143-C146 PolarHBondContact O-N 2.88Å; C146-A149 PolarHBondContact O-N 2.7Å; C146-Q150 PolarHBondContact O-N 3.37Å; C146-Q150 VanDerWaalsContact O-N 3.11Å |
| 147 | Y | 86.6 | Confident | 81.2 | Confident | 138 Ų | 138 | 97.6 Ų | 97.6 | 54% | 0.541 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 176.5 | 177.5 | -100.6 | 0 | 0 | 0 | 111.9 | I143 F144 Y145 A149 Q150 V151 | I143-Y147 WeakPolarHBondContact O-CB 3.48Å; I143-Y147 PolarHBondContact O-N 2.65Å; F144-Y147 PolarHBondContact O-N 3.35Å; Y145-Y147 VanDerWaalsContact C-N 3.34Å; Y145-Y147 PolarHBondContact O-N 3.47Å; Y147-A149 PolarHBondContact O-N 3.06Å; Y147-Q150 WeakPolarHBondContact O-CB 3.47Å; Y147-Q150 PolarHBondContact O-N 3.28Å; Y147-Q150 VanDerWaalsContact O-N 3.14Å; Y147-V151 HydrophobicContact CD1-CG2 4.39Å; Y147-V151 HydrophobicContact CE1-CG2 3.93Å; Y147-V151 HydrophobicContact CE2-CG2 4.25Å; Y147-V151 PolarHBondContact O-N 3.46Å |
| 148 | M | 81 | Confident | 80.3 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 31% | 0.305 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 177.5 | -71.2 | -65.6 | -103 | 0 | 0 | 111 | F144 Y145 Q150 V151 Y152 | F144-M148 HydrophobicContact CD1-CG 4.21Å; F144-M148 HydrophobicContact CD2-CG 4.44Å; F144-M148 HydrophobicContact CE1-CE 4.43Å; F144-M148 HydrophobicContact CE1-CG 3.78Å; F144-M148 HydrophobicContact CE2-CG 4.03Å; F144-M148 HydrophobicContact CE2-SD 4.32Å; F144-M148 HydrophobicContact CZ-CE 3.91Å; F144-M148 HydrophobicContact CZ-CG 3.69Å; F144-M148 HydrophobicContact CZ-SD 4.05Å; F144-M148 WeakPolarHBondContact O-CG 3.48Å; F144-M148 PolarHBondContact O-N 3.01Å; Y145-M148 PolarHBondContact O-N 2.95Å; M148-Q150 PolarHBondContact O-N 2.88Å; M148-V151 PolarHBondContact O-N 2.92Å; M148-Y152 HydrophobicContact CB-CD2 4.3Å; M148-Y152 HydrophobicContact CB-CE2 4.39Å; M148-Y152 HydrophobicContact CE-CE2 4.04Å; M148-Y152 WeakPolarHBondContact O-CB 3.48Å; M148-Y152 WeakPolarHBondContact O-CD2 3.47Å; M148-Y152 PolarHBondContact O-N 3.03Å; M148-Y152 HydrophobicContact SD-CE2 4.4Å |
| 149 | A | 83.4 | Confident | 79.6 | Confident | 51 Ų | 51 | 101.9 Ų | 101.9 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -35.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y145 C146 Y147 G153 | Y145-A149 WeakPolarHBondContact O-CB 3.49Å; Y145-A149 PolarHBondContact O-N 3.25Å; C146-A149 PolarHBondContact O-N 2.7Å; Y147-A149 PolarHBondContact O-N 3.06Å; A149-G153 WeakPolarHBondContact O-CA 3.47Å; A149-G153 PolarHBondContact O-N 3.27Å |
| 150 | Q | 83.6 | Confident | 78.8 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.9 | -42.7 | 175.8 | -173.5 | 176 | -5.4 | 0 | 0 | 112.5 | C146 Y147 M148 G153 A154 | C146-Q150 PolarHBondContact O-N 3.37Å; C146-Q150 VanDerWaalsContact O-N 3.11Å; Y147-Q150 WeakPolarHBondContact O-CB 3.47Å; Y147-Q150 PolarHBondContact O-N 3.28Å; Y147-Q150 VanDerWaalsContact O-N 3.14Å; M148-Q150 PolarHBondContact O-N 2.88Å; Q150-G153 PolarHBondContact O-N 2.91Å; Q150-A154 WeakPolarHBondContact O-CB 3.3Å; Q150-A154 PolarHBondContact O-N 3.14Å |
| 151 | V | 80.2 | Confident | 78 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 177.9 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | Y147 M148 A154 S155 | Y147-V151 HydrophobicContact CD1-CG2 4.39Å; Y147-V151 HydrophobicContact CE1-CG2 3.93Å; Y147-V151 HydrophobicContact CE2-CG2 4.25Å; Y147-V151 PolarHBondContact O-N 3.46Å; M148-V151 PolarHBondContact O-N 2.92Å; V151-A154 PolarHBondContact O-N 3.38Å; V151-S155 PolarHBondContact O-N 3.19Å |
| 152 | Y | 79.5 | Confident | 77.3 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -44.9 | 174.6 | -77.8 | -70.6 | 0 | 0 | 0 | 110.8 | M148 A154 S155 W156 | M148-Y152 HydrophobicContact CB-CD2 4.3Å; M148-Y152 HydrophobicContact CB-CE2 4.39Å; M148-Y152 HydrophobicContact CE-CE2 4.04Å; M148-Y152 WeakPolarHBondContact O-CB 3.48Å; M148-Y152 WeakPolarHBondContact O-CD2 3.47Å; M148-Y152 PolarHBondContact O-N 3.03Å; M148-Y152 HydrophobicContact SD-CE2 4.4Å; Y152-A154 PolarHBondContact O-N 3.46Å; Y152-S155 PolarHBondContact O-N 3.49Å; Y152-S155 PolarHBondContact O-OG 3.29Å; Y152-W156 PolarHBondContact O-N 2.99Å; Y152-W156 VanDerWaalsContact O-N 3.12Å |
| 153 | G | 76.4 | Confident | 76.1 | Confident | 33 Ų | 33 | 93.8 Ų | 93.8 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A149 Q150 W156 V157 | A149-G153 WeakPolarHBondContact O-CA 3.47Å; A149-G153 PolarHBondContact O-N 3.27Å; Q150-G153 PolarHBondContact O-N 2.91Å; G153-W156 PolarHBondContact O-N 3.49Å; G153-V157 WeakPolarHBondContact O-CG2 3.33Å; G153-V157 PolarHBondContact O-N 3.31Å |
| 154 | A | 75 | Confident | 74.8 | Confident | 61 Ų | 61 | 94.1 Ų | 94.1 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q150 V151 Y152 V157 H158 | Q150-A154 WeakPolarHBondContact O-CB 3.3Å; Q150-A154 PolarHBondContact O-N 3.14Å; V151-A154 PolarHBondContact O-N 3.38Å; Y152-A154 PolarHBondContact O-N 3.46Å; A154-V157 PolarHBondContact O-N 3.3Å; A154-H158 PolarHBondContact O-N 3Å; A154-H158 VanDerWaalsContact O-N 3.08Å |
| 155 | S | 75.6 | Confident | 73.5 | Confident | 64 Ų | 64 | 94.7 Ų | 94.7 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 176.9 | 73.1 | 0 | 0 | 0 | 0 | 112.7 | V151 Y152 V157 H158 H159 | V151-S155 PolarHBondContact O-N 3.19Å; Y152-S155 PolarHBondContact O-N 3.49Å; Y152-S155 PolarHBondContact O-OG 3.29Å; S155-V157 PolarHBondContact O-N 3.46Å; S155-H158 PolarHBondContact O-N 2.98Å; S155-H159 PolarHBondContact O-N 3.46Å; S155-H159 VanDerWaalsContact O-N 3.13Å |
| 156 | W | 68.4 | Low | 72 | Confident | 157 Ų | 157 | 96.9 Ų | 96.9 | 60% | 0.595 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 175.5 | -81.2 | 106.3 | 0 | 0 | 0 | 112.2 | Y152 G153 Y160 | Y152-W156 PolarHBondContact O-N 2.99Å; Y152-W156 VanDerWaalsContact O-N 3.12Å; G153-W156 PolarHBondContact O-N 3.49Å; W156-Y160 HydrophobicContact CE3-CE2 4.39Å; W156-Y160 PolarHBondContact O-N 2.95Å; W156-Y160 VanDerWaalsContact O-N 3.14Å |
| 157 | V | 71.3 | Confident | 70.2 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 62% | 0.624 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.6 | -39.1 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | G153 A154 S155 S161 | G153-V157 WeakPolarHBondContact O-CG2 3.33Å; G153-V157 PolarHBondContact O-N 3.31Å; A154-V157 PolarHBondContact O-N 3.3Å; S155-V157 PolarHBondContact O-N 3.46Å; V157-S161 WeakPolarHBondContact O-CB 3.49Å; V157-S161 PolarHBondContact O-N 3.24Å; V157-S161 PolarHBondContact O-OG 2.97Å |
| 158 | H | 65.8 | Low | 68.5 | Low | 129 Ų | 129 | 97.4 Ų | 97.4 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -47.9 | 177.3 | -169.2 | -93.4 | 0 | 0 | 0 | 111.3 | A154 S155 Y160 S161 S162 | A154-H158 PolarHBondContact O-N 3Å; A154-H158 VanDerWaalsContact O-N 3.08Å; S155-H158 PolarHBondContact O-N 2.98Å; H158-Y160 PolarHBondContact O-N 2.91Å; H158-S161 PolarHBondContact O-N 3.39Å; H158-S161 PolarHBondContact O-OG 2.99Å; H158-S162 PolarHBondContact O-N 3.5Å; H158-S162 PolarHBondContact O-OG 3.5Å |
| 159 | H | 65.3 | Low | 67.1 | Low | 130 Ų | 130 | 101.8 Ų | 101.8 | 60% | 0.602 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.5 | -41 | -179.5 | -162.6 | -105 | 0 | 0 | 0 | 112.9 | S155 S162 A163 | S155-H159 PolarHBondContact O-N 3.46Å; S155-H159 VanDerWaalsContact O-N 3.13Å; H159-S162 PolarHBondContact O-N 3.28Å; H159-A163 WeakPolarHBondContact O-CB 3.18Å; H159-A163 PolarHBondContact O-N 3.48Å |
| 160 | Y | 65.5 | Low | 65.3 | Low | 160 Ų | 160 | 105 Ų | 105 | 63% | 0.627 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65 | -38.7 | 174.7 | -99.3 | -86.6 | 0 | 0 | 0 | 112.6 | W156 H158 T164 | W156-Y160 HydrophobicContact CE3-CE2 4.39Å; W156-Y160 PolarHBondContact O-N 2.95Å; W156-Y160 VanDerWaalsContact O-N 3.14Å; H158-Y160 PolarHBondContact O-N 2.91Å; Y160-T164 WeakPolarHBondContact O-CB 3.42Å; Y160-T164 PolarHBondContact O-N 3.04Å; Y160-T164 VanDerWaalsContact O-N 3.15Å; Y160-T164 PolarHBondContact O-OG1 2.96Å |
| 161 | S | 67.7 | Low | 63.5 | Low | 55 Ų | 55 | 102.9 Ų | 102.9 | 39% | 0.385 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.6 | -36.7 | 178.1 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | V157 H158 N165 | V157-S161 WeakPolarHBondContact O-CB 3.49Å; V157-S161 PolarHBondContact O-N 3.24Å; V157-S161 PolarHBondContact O-OG 2.97Å; H158-S161 PolarHBondContact O-N 3.39Å; H158-S161 PolarHBondContact O-OG 2.99Å; S161-N165 PolarHBondContact O-N 3.15Å; S161-N165 PolarHBondContact O-ND2 3.43Å |
| 162 | S | 66.6 | Low | 61.7 | Low | 54 Ų | 54 | 105.2 Ų | 105.2 | 38% | 0.378 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.7 | -40.7 | 177.2 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | H158 H159 T164 N165 M166 | H158-S162 PolarHBondContact O-N 3.5Å; H158-S162 PolarHBondContact O-OG 3.5Å; H159-S162 PolarHBondContact O-N 3.28Å; S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact O-N 3.41Å; S162-N165 PolarHBondContact O-N 3.44Å; S162-M166 PolarHBondContact O-N 3.39Å |
| 163 | A | 61.2 | Low | 59.8 | Low | 52 Ų | 52 | 107.8 Ų | 107.8 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.1 | -34.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H159 N165 M166 S167 | H159-A163 WeakPolarHBondContact O-CB 3.18Å; H159-A163 PolarHBondContact O-N 3.48Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 3.05Å; A163-M166 PolarHBondContact O-N 3.42Å; A163-S167 PolarHBondContact O-OG 3.2Å |
| 164 | T | 60.5 | Low | 58 | Low | 92 Ų | 92 | 110.7 Ų | 110.7 | 56% | 0.564 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71 | -29 | 179.3 | -47.2 | 0 | 0 | 0 | 0 | 112.2 | Y160 S162 | Y160-T164 WeakPolarHBondContact O-CB 3.42Å; Y160-T164 PolarHBondContact O-N 3.04Å; Y160-T164 VanDerWaalsContact O-N 3.15Å; Y160-T164 PolarHBondContact O-OG1 2.96Å; S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact O-N 3.41Å |
| 165 | N | 58 | Low | 56.1 | Low | 119 Ų | 119 | 117.8 Ų | 117.8 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.3 | -20.2 | 178.5 | -74.4 | -19.8 | 0 | 0 | 0 | 114.1 | S161 S162 A163 | S161-N165 PolarHBondContact O-N 3.15Å; S161-N165 PolarHBondContact O-ND2 3.43Å; S162-N165 PolarHBondContact O-N 3.44Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 3.05Å |
| 166 | M | 51.6 | Low | 54.3 | Low | 161 Ų | 161 | 117.7 Ų | 117.7 | 79% | 0.793 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.7 | -18.3 | 179.5 | -117 | -173.9 | -135.7 | 0 | 0 | 114 | S162 A163 T168 | S162-M166 PolarHBondContact O-N 3.39Å; A163-M166 PolarHBondContact O-N 3.42Å; M166-T168 VanDerWaalsContact C-N 3.35Å; M166-T168 PolarHBondContact O-N 3.15Å |
| 167 | S | 51.5 | Low | 52.8 | Low | 96 Ų | 96 | 118.9 Ų | 118.9 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -3.1 | -171.5 | -60.6 | 0 | 0 | 0 | 0 | 114.4 | A163 | A163-S167 PolarHBondContact O-OG 3.2Š|
| 168 | T | 50 | Low | 51.2 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 5.3 | -176 | 43.8 | 0 | 0 | 0 | 0 | 115.5 | M166 | M166-T168 VanDerWaalsContact C-N 3.35Å; M166-T168 PolarHBondContact O-N 3.15Å |
| 169 | L | 52.2 | Low | 49.9 | Very low | 153 Ų | 153 | 118.7 Ų | 118.7 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -117.5 | 2.8 | -177.7 | -87.5 | 117 | 0 | 0 | 0 | 116.3 | ||
| 170 | S | 46.4 | Very low | 48.7 | Very low | 120 Ų | 120 | 120 Ų | 120 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -111.6 | 13.6 | -175.3 | -75.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 171 | S | 44.3 | Very low | 47.4 | Very low | 99 Ų | 99 | 117.6 Ų | 117.6 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -130.7 | 54.1 | -176.6 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 172 | S | 42 | Very low | 46.1 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -164.9 | 51.8 | 171.6 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 173 | Q | 39.4 | Very low | 44.8 | Very low | 196 Ų | 196 | 127.9 Ų | 127.9 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -150.3 | 115.5 | 166.7 | -144.6 | 166.7 | -6.8 | 0 | 0 | 113.4 | ||||
| 174 | A | 40.4 | Very low | 43.6 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | 76.6 | 78.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 175 | E | 33.4 | Very low | 42.5 | Very low | 211 Ų | 211 | 132.6 Ų | 132.6 | 99% | 0.986 | 79% | 0.794 | S | S | * | * | trans | -66.7 | 118.8 | 134.1 | -97.2 | 170.5 | 84 | 0 | 0 | 108.3 | ||||
| 176 | G | 38 | Very low | 41.7 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | 172.8 | 82.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 177 | Q | 36.9 | Very low | 41 | Very low | 182 Ų | 182 | 132 Ų | 132 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | 66.1 | 102.9 | 145.8 | -79 | 148.6 | -44.3 | 0 | 0 | 121 | ||||
| 178 | S | 38.7 | Very low | 40.3 | Very low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | 56.7 | 108 | 119.8 | -49.1 | 0 | 0 | 0 | 0 | 120 | |||||
| 179 | A | 37.6 | Very low | 39.8 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | trans | -81.7 | 138.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 180 | D | 39.8 | Very low | 39.1 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -148.5 | 136.2 | 143.9 | -164.8 | 51.1 | 0 | 0 | 0 | 109.4 | ||||
| 181 | P | 39.6 | Very low | 39 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | -107.8 | 135.4 | -163.5 | 36.2 | -24.1 | 0 | 0 | 0 | 112.8 | ||||
| 182 | N | 40.1 | Very low | 39.1 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 83% | 0.83 | S | S | * | * | trans | -158.8 | 123.9 | 153.5 | -140.2 | -3.5 | 0 | 0 | 0 | 115.1 | ||||
| 183 | Q | 39.1 | Very low | 39.2 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | 35.6 | 130.1 | 142.7 | -75.8 | 174.3 | 27.3 | 0 | 0 | 121.8 | ||||
| 184 | G | 36.5 | Very low | 39.5 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 165.6 | 79.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 185 | N | 36.3 | Very low | 39.4 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -51.3 | 134.4 | 164.6 | -92.1 | -10.1 | 0 | 0 | 0 | 110.7 | ||||
| 186 | D | 40.8 | Very low | 39.9 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -155.2 | 138.7 | 131.7 | -122.9 | -50.7 | 0 | 0 | 0 | 111.8 | ||||
| 187 | A | 37.6 | Very low | 40.3 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -86.9 | 142.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 188 | G | 37.3 | Very low | 40.7 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -178.9 | 97.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 189 | N | 39.2 | Very low | 40.8 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | trans | 90.6 | 109.6 | 144.5 | -126.2 | -2.3 | 0 | 0 | 0 | 119.6 | ||||
| 190 | G | 37.7 | Very low | 41 | Very low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 93.7 | 82.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 191 | Q | 43.4 | Very low | 40.7 | Very low | 193 Ų | 193 | 126.7 Ų | 126.7 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -144 | 101.3 | 162.7 | -140.1 | 167 | -59.6 | 0 | 0 | 111.8 | A193 | Q191-A193 PolarHBondContact O-N 3.33Š| ||
| 192 | P | 47.4 | Very low | 40.7 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -78 | 110 | 157.1 | -3.5 | 21.8 | 0 | 0 | 0 | 108.7 | ||||
| 193 | A | 43.1 | Very low | 40.5 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 13.1 | 128.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | Q191 | Q191-A193 PolarHBondContact O-N 3.33Š|
| 194 | A | 46.5 | Very low | 40.7 | Very low | 94 Ų | 94 | 122 Ų | 122 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | 70.5 | 80.1 | 144 | 0 | 0 | 0 | 0 | 0 | 117.6 | P196 | A194-P196 WeakPolarHBondContact O-CD 3.41Š| ||
| 195 | Q | 38.9 | Very low | 41 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -75.2 | 119.8 | 151.1 | -63 | -176.2 | 20.6 | 0 | 0 | 108.8 | V197 | Q195-V197 VanDerWaalsContact C-N 3.31Å; Q195-V197 HydrophobicContact CB-CG2 4.25Å; Q195-V197 PolarHBondContact O-N 3.11Å | ||
| 196 | P | 43.1 | Very low | 41.4 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -78 | 92.8 | 152.5 | 31.1 | -25.8 | 0 | 0 | 0 | 106.2 | A194 I198 | A194-P196 WeakPolarHBondContact O-CD 3.41Å; P196-I198 HydrophobicContact CB-CG1 4.44Å; P196-I198 PolarHBondContact O-N 3.48Å | ||
| 197 | V | 46.3 | Very low | 41.5 | Very low | 93 Ų | 93 | 122 Ų | 122 | 56% | 0.564 | 74% | 0.736 | S | S | * | * | trans | -64.8 | 95.6 | 160.1 | -176.7 | 0 | 0 | 0 | 0 | 105 | Q195 N199 | Q195-V197 VanDerWaalsContact C-N 3.31Å; Q195-V197 HydrophobicContact CB-CG2 4.25Å; Q195-V197 PolarHBondContact O-N 3.11Å; V197-N199 WeakPolarHBondContact CG1-OD1 3.26Å; V197-N199 PolarHBondContact O-N 3.35Å | ||
| 198 | I | 45.6 | Very low | 42.1 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -70.9 | 73.8 | 169.1 | -65.2 | 167 | 0 | 0 | 0 | 105.9 | P196 A200 | P196-I198 HydrophobicContact CB-CG1 4.44Å; P196-I198 PolarHBondContact O-N 3.48Å; I198-A200 HydrophobicContact CG2-CB 3.78Å; I198-A200 PolarHBondContact O-N 3.44Å | ||
| 199 | N | 41.4 | Very low | 42.8 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | trans | -71.6 | 78.5 | 150.4 | -74.1 | -18.3 | 0 | 0 | 0 | 105.2 | V197 Q201 | V197-N199 WeakPolarHBondContact CG1-OD1 3.26Å; V197-N199 PolarHBondContact O-N 3.35Å; N199-Q201 PolarHBondContact O-N 3.22Å | ||
| 200 | A | 40.5 | Very low | 43.6 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 72% | 0.719 | 72% | 0.718 | S | S | * | * | trans | -72 | 32.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I198 G202 | I198-A200 HydrophobicContact CG2-CB 3.78Å; I198-A200 PolarHBondContact O-N 3.44Å; A200-G202 PolarHBondContact O-N 3.12Å | ||
| 201 | Q | 34.7 | Very low | 44.6 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -70.1 | 74.1 | 153.4 | -174.3 | 170.4 | -28.3 | 0 | 0 | 105.6 | N199 Q203 | N199-Q201 PolarHBondContact O-N 3.22Å; Q201-Q203 PolarHBondContact O-N 3.13Å | ||
| 202 | G | 40 | Very low | 45.9 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | trans | -61.2 | 91.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | A200 N204 | A200-G202 PolarHBondContact O-N 3.12Å; G202-N204 PolarHBondContact O-N 2.78Å | ||
| 203 | Q | 36.3 | Very low | 47.4 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 64% | 0.64 | 69% | 0.693 | S | S | * | * | trans | -40.5 | 93.1 | 148.8 | -71.2 | 174.5 | -55 | 0 | 0 | 107.9 | Q201 E205 | Q201-Q203 PolarHBondContact O-N 3.13Å; Q203-E205 HydrophobicContact CB-CG 4.14Å; Q203-E205 VanDerWaalsContact CD-OE2 3.3Å; Q203-E205 HydrophobicContact CG-CG 4.08Å; Q203-E205 VanDerWaalsContact CG-OE2 3.32Å; Q203-E205 WeakPolarHBondContact CG-OE2 3.42Å; Q203-E205 PolarHBondContact NE2-OE2 3.31Å | ||
| 204 | N | 41.5 | Very low | 48.8 | Very low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | trans | -106.8 | 76.4 | 135.8 | -78 | -76.8 | 0 | 0 | 0 | 104.5 | G202 E206 | G202-N204 PolarHBondContact O-N 2.78Å; N204-E206 PolarHBondContact O-N 3.19Å | ||
| 205 | E | 43.9 | Very low | 49.9 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 72% | 0.724 | 66% | 0.663 | S | S | * | * | trans | -72.8 | 33.5 | 167.6 | -67.3 | 176.8 | 120.6 | 0 | 0 | 110.8 | Q203 | Q203-E205 HydrophobicContact CB-CG 4.14Å; Q203-E205 VanDerWaalsContact CD-OE2 3.3Å; Q203-E205 HydrophobicContact CG-CG 4.08Å; Q203-E205 VanDerWaalsContact CG-OE2 3.32Å; Q203-E205 WeakPolarHBondContact CG-OE2 3.42Å; Q203-E205 PolarHBondContact NE2-OE2 3.31Å | ||
| 206 | E | 43.7 | Very low | 51.6 | Low | 152 Ų | 152 | 128.1 Ų | 128.1 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | trans | -139.9 | 90.5 | -176.5 | -64.3 | -177.7 | 116 | 0 | 0 | 106.4 | N204 | N204-E206 PolarHBondContact O-N 3.19Š| ||
| 207 | D | 43.9 | Very low | 53.4 | Low | 103 Ų | 103 | 127.3 Ų | 127.3 | 55% | 0.551 | 65% | 0.646 | S | S | * | * | trans | 157 | 8.3 | 149.6 | -81.3 | -9.2 | 0 | 0 | 0 | 115.6 | Q209 R376 | D207-Q209 PolarHBondContact O-N 3.44Å; D207-R376 VanDerWaalsContact CG-NH2 3.28Å; D207-R376 IonicContact OD1-NH2 2.81Å; D207-R376 IonicContact OD2-CZ 3.18Å; D207-R376 IonicContact OD2-NH1 2.65Å; D207-R376 PolarHBondContact OD2-NH1 3.08Å; D207-R376 IonicContact OD2-NH2 3.74Å; D207-R376 PolarHBondContact OD2-NH2 2.99Å | ||
| 208 | E | 49.4 | Very low | 54.8 | Low | 187 Ų | 187 | 128.1 Ų | 128.1 | 87% | 0.874 | 64% | 0.64 | S | S | * | * | trans | -74.7 | 63.8 | 157.4 | -73.8 | -177.1 | 108.3 | 0 | 0 | 109.2 | P210 | E208-P210 WeakPolarHBondContact O-CD 3.28Š| ||
| 209 | Q | 52.1 | Low | 56.1 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 60% | 0.603 | 62% | 0.623 | S | S | * | * | trans | -57.1 | 111.6 | 171.5 | -168 | 93.9 | 35.1 | 0 | 0 | 106.5 | D207 R211 D212 | D207-Q209 PolarHBondContact O-N 3.44Å; Q209-R211 PolarHBondContact O-N 3.33Å; Q209-D212 WeakPolarHBondContact CG-OD2 3.48Å; Q209-D212 PolarHBondContact NE2-OD1 3.43Å | ||
| 210 | P | 56.7 | Low | 57.7 | Low | 106 Ų | 106 | 120.6 Ų | 120.6 | 69% | 0.688 | 61% | 0.606 | S | S | * | * | trans | -58.7 | 120.4 | 179 | 24.1 | -31.5 | 0 | 0 | 0 | 106.4 | E208 D212 | E208-P210 WeakPolarHBondContact O-CD 3.28Å; P210-D212 WeakPolarHBondContact O-CA 3.21Å; P210-D212 PolarHBondContact O-N 3.1Å | ||
| 211 | R | 58.7 | Low | 59.7 | Low | 228 Ų | 228 | 119 Ų | 119 | 86% | 0.86 | 59% | 0.59 | S | S | * | * | trans | -23 | 102.3 | -179.5 | -103.2 | 169.9 | -178.6 | 152.9 | 2.8 | 110.6 | Q209 W213 | Q209-R211 PolarHBondContact O-N 3.33Å; R211-W213 PolarHBondContact O-N 2.84Å | ||
| 212 | D | 71.1 | Confident | 61.4 | Low | 62 Ų | 62 | 114.9 Ų | 114.9 | 33% | 0.332 | 57% | 0.567 | S | S | . | * | trans | -59.9 | 139.6 | -171.7 | -76 | -47.9 | 0 | 0 | 0 | 107.4 | Q209 P210 L214 D215 F216 | Q209-D212 WeakPolarHBondContact CG-OD2 3.48Å; Q209-D212 PolarHBondContact NE2-OD1 3.43Å; P210-D212 WeakPolarHBondContact O-CA 3.21Å; P210-D212 PolarHBondContact O-N 3.1Å; D212-L214 HydrophobicContact CB-CB 4.23Å; D212-L214 CarbonylContact O-C 3.54Å; D212-L214 PolarHBondContact O-N 3.21Å; D212-D215 WeakPolarHBondContact O-CA 3.29Å; D212-D215 WeakPolarHBondContact O-CB 3.42Å; D212-D215 PolarHBondContact O-N 3.11Å; D212-F216 PolarHBondContact O-N 3.22Å; D212-F216 VanDerWaalsContact O-N 3.07Å | ||
| 213 | W | 78.9 | Confident | 63.1 | Low | 185 Ų | 185 | 113.9 Ų | 113.9 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -50.8 | -24.5 | 171.7 | 68.5 | -78.8 | 0 | 0 | 0 | 111.5 | R211 F216 L217 | R211-W213 PolarHBondContact O-N 2.84Å; W213-F216 PolarHBondContact O-N 2.86Å; W213-L217 HydrophobicContact CE3-CD1 4.19Å; W213-L217 HydrophobicContact CZ3-CD1 3.71Å; W213-L217 VanDerWaalsContact O-CB 3.27Å; W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.43Å |
| 214 | L | 72.6 | Confident | 64.9 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 171.8 | -159.7 | 91.5 | 0 | 0 | 0 | 112.8 | D212 F216 L217 Y218 | D212-L214 HydrophobicContact CB-CB 4.23Å; D212-L214 CarbonylContact O-C 3.54Å; D212-L214 PolarHBondContact O-N 3.21Å; L214-F216 VanDerWaalsContact C-N 3.32Å; L214-L217 PolarHBondContact O-N 3.4Å; L214-Y218 VanDerWaalsContact O-CB 3.22Å; L214-Y218 WeakPolarHBondContact O-CB 3.42Å; L214-Y218 PolarHBondContact O-N 2.86Å |
| 215 | D | 69.1 | Low | 66.5 | Low | 71 Ų | 71 | 110.9 Ų | 110.9 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 171.5 | -86.2 | -21.2 | 0 | 0 | 0 | 110.4 | D212 Y218 I219 | D212-D215 WeakPolarHBondContact O-CA 3.29Å; D212-D215 WeakPolarHBondContact O-CB 3.42Å; D212-D215 PolarHBondContact O-N 3.11Å; D215-Y218 PolarHBondContact O-N 3Å; D215-I219 WeakPolarHBondContact O-CB 3.41Å; D215-I219 WeakPolarHBondContact O-CD1 3.28Å; D215-I219 WeakPolarHBondContact O-CG1 3.19Å; D215-I219 PolarHBondContact O-N 3.46Å |
| 216 | F | 75.1 | Confident | 67.9 | Low | 155 Ų | 155 | 106.8 Ų | 106.8 | 68% | 0.68 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.2 | -46 | 173 | 179.8 | -96.3 | 0 | 0 | 0 | 111.5 | D212 W213 L214 I219 A220 | D212-F216 PolarHBondContact O-N 3.22Å; D212-F216 VanDerWaalsContact O-N 3.07Å; W213-F216 PolarHBondContact O-N 2.86Å; L214-F216 VanDerWaalsContact C-N 3.32Å; F216-I219 PolarHBondContact O-N 3.35Å; F216-A220 WeakPolarHBondContact O-CB 3.22Å; F216-A220 PolarHBondContact O-N 2.85Å |
| 217 | L | 79.3 | Confident | 69.1 | Low | 88 Ų | 88 | 102.8 Ų | 102.8 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.9 | -170.7 | 158.1 | 0 | 0 | 0 | 111.1 | W213 L214 A220 S221 | W213-L217 HydrophobicContact CE3-CD1 4.19Å; W213-L217 HydrophobicContact CZ3-CD1 3.71Å; W213-L217 VanDerWaalsContact O-CB 3.27Å; W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.43Å; L214-L217 PolarHBondContact O-N 3.4Å; L217-A220 PolarHBondContact O-N 3.36Å; L217-S221 WeakPolarHBondContact O-CB 3.42Å; L217-S221 PolarHBondContact O-N 3.48Å; L217-S221 PolarHBondContact O-OG 3.45Å |
| 218 | Y | 76.4 | Confident | 70.4 | Confident | 111 Ų | 111 | 101 Ų | 101 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 177.6 | 175.5 | -110.4 | 0 | 0 | 0 | 111.1 | L214 D215 A220 S221 R222 | L214-Y218 VanDerWaalsContact O-CB 3.22Å; L214-Y218 WeakPolarHBondContact O-CB 3.42Å; L214-Y218 PolarHBondContact O-N 2.86Å; D215-Y218 PolarHBondContact O-N 3Å; Y218-A220 VanDerWaalsContact C-N 3.33Å; Y218-A220 PolarHBondContact O-N 2.78Å; Y218-S221 PolarHBondContact O-N 3.31Å; Y218-S221 PolarHBondContact O-OG 2.74Å; Y218-R222 WeakPolarHBondContact O-CB 3.07Å; Y218-R222 PolarHBondContact O-N 2.93Å; Y218-R222 PolarHBondContact OH-NH1 2.8Å; Y218-R222 VanDerWaalsContact OH-NH1 3.11Å |
| 219 | I | 73.6 | Confident | 71.5 | Confident | 70 Ų | 70 | 95.8 Ų | 95.8 | 36% | 0.359 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 174 | -66.8 | 161.4 | 0 | 0 | 0 | 110.3 | D215 F216 T223 | D215-I219 WeakPolarHBondContact O-CB 3.41Å; D215-I219 WeakPolarHBondContact O-CD1 3.28Å; D215-I219 WeakPolarHBondContact O-CG1 3.19Å; D215-I219 PolarHBondContact O-N 3.46Å; F216-I219 PolarHBondContact O-N 3.35Å; I219-T223 WeakPolarHBondContact O-CB 3.44Å; I219-T223 PolarHBondContact O-N 3.44Å; I219-T223 PolarHBondContact O-OG1 3.07Å |
| 220 | A | 74.9 | Confident | 72.4 | Confident | 38 Ų | 38 | 92.9 Ų | 92.9 | 31% | 0.314 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F216 L217 Y218 R222 T223 V224 | F216-A220 WeakPolarHBondContact O-CB 3.22Å; F216-A220 PolarHBondContact O-N 2.85Å; L217-A220 PolarHBondContact O-N 3.36Å; Y218-A220 VanDerWaalsContact C-N 3.33Å; Y218-A220 PolarHBondContact O-N 2.78Å; A220-R222 PolarHBondContact O-N 2.82Å; A220-T223 WeakPolarHBondContact O-CB 3.33Å; A220-T223 PolarHBondContact O-N 2.99Å; A220-V224 WeakPolarHBondContact O-CB 3.27Å; A220-V224 VanDerWaalsContact O-CG2 3.24Å; A220-V224 WeakPolarHBondContact O-CG2 3.37Å; A220-V224 PolarHBondContact O-N 3.48Å |
| 221 | S | 81.7 | Confident | 73 | Confident | 55 Ų | 55 | 93 Ų | 93 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63 | -44 | -178.9 | 71.9 | 0 | 0 | 0 | 0 | 111.8 | L217 Y218 T223 V224 L225 | L217-S221 WeakPolarHBondContact O-CB 3.42Å; L217-S221 PolarHBondContact O-N 3.48Å; L217-S221 PolarHBondContact O-OG 3.45Å; Y218-S221 PolarHBondContact O-N 3.31Å; Y218-S221 PolarHBondContact O-OG 2.74Å; S221-T223 VanDerWaalsContact C-N 3.35Å; S221-V224 PolarHBondContact O-N 3.42Å; S221-L225 WeakPolarHBondContact O-CB 3.42Å; S221-L225 PolarHBondContact O-N 3.46Å |
| 222 | R | 70.6 | Confident | 73.5 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.2 | -36.1 | 178.5 | -172.5 | 164.9 | 172.2 | 162.3 | -4.4 | 111.6 | Y218 A220 L225 L226 F368 | Y218-R222 WeakPolarHBondContact O-CB 3.07Å; Y218-R222 PolarHBondContact O-N 2.93Å; Y218-R222 PolarHBondContact OH-NH1 2.8Å; Y218-R222 VanDerWaalsContact OH-NH1 3.11Å; A220-R222 PolarHBondContact O-N 2.82Å; R222-L225 PolarHBondContact O-N 3.01Å; R222-L226 WeakPolarHBondContact O-CB 3.45Å; R222-L226 PolarHBondContact O-N 3.32Å; R222-F368 HydrophobicContact CG-CZ 4.14Å |
| 223 | T | 75.8 | Confident | 73.3 | Confident | 42 Ų | 42 | 95.6 Ų | 95.6 | 26% | 0.258 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | I219 A220 S221 L225 L226 F227 | I219-T223 WeakPolarHBondContact O-CB 3.44Å; I219-T223 PolarHBondContact O-N 3.44Å; I219-T223 PolarHBondContact O-OG1 3.07Å; A220-T223 WeakPolarHBondContact O-CB 3.33Å; A220-T223 PolarHBondContact O-N 2.99Å; S221-T223 VanDerWaalsContact C-N 3.35Å; T223-L225 VanDerWaalsContact C-N 3.32Å; T223-L225 PolarHBondContact O-N 2.68Å; T223-L226 PolarHBondContact O-N 3.37Å; T223-F227 HydrophobicContact CG2-CD2 3.56Å; T223-F227 HydrophobicContact CG2-CE2 3.24Å; T223-F227 HydrophobicContact CG2-CZ 4.32Å; T223-F227 WeakPolarHBondContact O-CB 3.38Å; T223-F227 WeakPolarHBondContact O-CD2 3.48Å; T223-F227 WeakPolarHBondContact O-CG 3.16Å; T223-F227 PolarHBondContact O-N 2.89Å |
| 224 | V | 74.1 | Confident | 72.8 | Confident | 96 Ų | 96 | 88.5 Ų | 88.5 | 58% | 0.582 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 175.1 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | A220 S221 F227 S228 | A220-V224 WeakPolarHBondContact O-CB 3.27Å; A220-V224 VanDerWaalsContact O-CG2 3.24Å; A220-V224 WeakPolarHBondContact O-CG2 3.37Å; A220-V224 PolarHBondContact O-N 3.48Å; S221-V224 PolarHBondContact O-N 3.42Å; V224-F227 CarbonylContact O-C 3.53Å; V224-F227 PolarHBondContact O-N 3.46Å; V224-S228 WeakPolarHBondContact O-CB 3.43Å; V224-S228 PolarHBondContact O-N 3.15Å |
| 225 | L | 75.8 | Confident | 72.8 | Confident | 116 Ų | 116 | 88.1 Ų | 88.1 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 177.8 | -163.9 | 151.3 | 0 | 0 | 0 | 111.4 | S221 R222 T223 F227 S228 V229 | S221-L225 WeakPolarHBondContact O-CB 3.42Å; S221-L225 PolarHBondContact O-N 3.46Å; R222-L225 PolarHBondContact O-N 3.01Å; T223-L225 VanDerWaalsContact C-N 3.32Å; T223-L225 PolarHBondContact O-N 2.68Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-F227 PolarHBondContact O-N 3.45Å; L225-S228 WeakPolarHBondContact O-CB 3.23Å; L225-S228 PolarHBondContact O-N 3.35Å; L225-S228 VanDerWaalsContact O-N 3.14Å; L225-V229 HydrophobicContact CD2-CG2 4.2Å; L225-V229 WeakPolarHBondContact O-CG2 3.27Å; L225-V229 PolarHBondContact O-N 3.39Å |
| 226 | L | 72 | Confident | 72.9 | Confident | 68 Ų | 68 | 88.6 Ų | 88.6 | 36% | 0.356 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 173.2 | -162.5 | 175 | 0 | 0 | 0 | 110.3 | R222 T223 S228 V229 L230 F368 | R222-L226 WeakPolarHBondContact O-CB 3.45Å; R222-L226 PolarHBondContact O-N 3.32Å; T223-L226 PolarHBondContact O-N 3.37Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-S228 PolarHBondContact O-N 3.01Å; L226-V229 PolarHBondContact O-N 3.28Å; L226-L230 HydrophobicContact CD2-CD1 3.29Å; L226-L230 HydrophobicContact CD2-CG 3.98Å; L226-L230 PolarHBondContact O-N 3.36Å; L226-F368 HydrophobicContact CD1-CD1 4.46Å; L226-F368 HydrophobicContact CD1-CE1 3.83Å; L226-F368 HydrophobicContact CD1-CZ 3.93Å |
| 227 | F | 69.9 | Low | 72.6 | Confident | 69 Ų | 69 | 85.2 Ų | 85.2 | 30% | 0.303 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 175.3 | -75.8 | -52.4 | 0 | 0 | 0 | 112.8 | T223 V224 L225 L230 Y231 F239 I243 | T223-F227 HydrophobicContact CG2-CD2 3.56Å; T223-F227 HydrophobicContact CG2-CE2 3.24Å; T223-F227 HydrophobicContact CG2-CZ 4.32Å; T223-F227 WeakPolarHBondContact O-CB 3.38Å; T223-F227 WeakPolarHBondContact O-CD2 3.48Å; T223-F227 WeakPolarHBondContact O-CG 3.16Å; T223-F227 PolarHBondContact O-N 2.89Å; V224-F227 CarbonylContact O-C 3.53Å; V224-F227 PolarHBondContact O-N 3.46Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-F227 PolarHBondContact O-N 3.45Å; F227-L230 HydrophobicContact CD1-CD1 4.13Å; F227-L230 PolarHBondContact O-N 3.14Å; F227-Y231 WeakPolarHBondContact O-CB 3.43Å; F227-Y231 PolarHBondContact O-N 3.4Å; F227-F239 HydrophobicContact CB-CE2 3.87Å; F227-F239 HydrophobicContact CB-CZ 3.88Å; F227-F239 AromaticContact CD1-CE2 3.89Å; F227-F239 HydrophobicContact CD1-CE2 3.89Å; F227-F239 HydrophobicContact CD1-CZ 4.37Å; F227-F239 HydrophobicContact CG-CE2 4.32Å; F227-F239 HydrophobicContact CG-CZ 4.46Å; F227-F239 WeakPolarHBondContact O-CE2 3.22Å; F227-F239 WeakPolarHBondContact O-CZ 3.36Å; F227-I243 HydrophobicContact CD1-CD1 3.99Å; F227-I243 HydrophobicContact CD1-CG1 3.82Å; F227-I243 HydrophobicContact CE1-CD1 4.28Å; F227-I243 HydrophobicContact CE1-CG1 3.64Å; F227-I243 HydrophobicContact CG-CD1 4.36Å; F227-I243 HydrophobicContact CZ-CG1 4.25Å |
| 228 | S | 70.2 | Confident | 72.1 | Confident | 64 Ų | 64 | 89 Ų | 89 | 45% | 0.448 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 112 | V224 L225 L226 Y231 M232 | V224-S228 WeakPolarHBondContact O-CB 3.43Å; V224-S228 PolarHBondContact O-N 3.15Å; L225-S228 WeakPolarHBondContact O-CB 3.23Å; L225-S228 PolarHBondContact O-N 3.35Å; L225-S228 VanDerWaalsContact O-N 3.14Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-S228 PolarHBondContact O-N 3.01Å; S228-Y231 WeakPolarHBondContact O-CB 3.14Å; S228-Y231 PolarHBondContact O-N 2.71Å; S228-M232 WeakPolarHBondContact O-CG 3.34Å; S228-M232 PolarHBondContact O-N 3.45Å |
| 229 | V | 72.9 | Confident | 71.9 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 174.6 | 175 | 0 | 0 | 0 | 0 | 110.6 | L225 L226 Y231 M232 Y233 | L225-V229 HydrophobicContact CD2-CG2 4.2Å; L225-V229 WeakPolarHBondContact O-CG2 3.27Å; L225-V229 PolarHBondContact O-N 3.39Å; L226-V229 PolarHBondContact O-N 3.28Å; V229-Y231 VanDerWaalsContact C-N 3.29Å; V229-Y231 PolarHBondContact O-N 3.26Å; V229-M232 PolarHBondContact O-N 3.19Å; V229-Y233 HydrophobicContact CG1-CD2 4.36Å; V229-Y233 PolarHBondContact O-N 2.93Å |
| 230 | L | 69.9 | Low | 71.9 | Confident | 68 Ų | 68 | 85.5 Ų | 85.5 | 36% | 0.356 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.4 | -37.5 | 172.7 | -83.6 | 164.9 | 0 | 0 | 0 | 112.3 | L226 F227 Y233 S234 F239 | L226-L230 HydrophobicContact CD2-CD1 3.29Å; L226-L230 HydrophobicContact CD2-CG 3.98Å; L226-L230 PolarHBondContact O-N 3.36Å; F227-L230 HydrophobicContact CD1-CD1 4.13Å; F227-L230 PolarHBondContact O-N 3.14Å; L230-Y233 PolarHBondContact O-N 2.84Å; L230-S234 WeakPolarHBondContact O-CA 3.44Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 2.74Å; L230-F239 HydrophobicContact CB-CD2 3.97Å; L230-F239 HydrophobicContact CB-CE2 4.02Å |
| 231 | Y | 71.1 | Confident | 71.8 | Confident | 108 Ų | 108 | 88.9 Ų | 88.9 | 42% | 0.424 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -42 | 175.8 | 175.1 | -94.6 | 0 | 0 | 0 | 111.7 | F227 S228 V229 Y233 V236 F239 | F227-Y231 WeakPolarHBondContact O-CB 3.43Å; F227-Y231 PolarHBondContact O-N 3.4Å; S228-Y231 WeakPolarHBondContact O-CB 3.14Å; S228-Y231 PolarHBondContact O-N 2.71Å; V229-Y231 VanDerWaalsContact C-N 3.29Å; V229-Y231 PolarHBondContact O-N 3.26Å; Y231-Y233 VanDerWaalsContact C-N 3.29Å; Y231-Y233 PolarHBondContact O-N 3.44Å; Y231-V236 HydrophobicContact CE2-CG2 3.9Å; Y231-F239 AromaticContact CD2-CD1 3.81Å; Y231-F239 HydrophobicContact CD2-CD1 3.81Å; Y231-F239 AromaticContact CD2-CE1 4Å; Y231-F239 HydrophobicContact CD2-CE1 4Å; Y231-F239 HydrophobicContact CD2-CG 4.24Å |
| 232 | M | 67.7 | Low | 71.3 | Confident | 136 Ų | 136 | 90.3 Ų | 90.3 | 67% | 0.67 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.8 | -27.9 | 177.8 | -73 | -85.9 | 76.6 | 0 | 0 | 113 | S228 V229 | S228-M232 WeakPolarHBondContact O-CG 3.34Å; S228-M232 PolarHBondContact O-N 3.45Å; V229-M232 PolarHBondContact O-N 3.19Å |
| 233 | Y | 67.7 | Low | 71.6 | Confident | 209 Ų | 209 | 89.5 Ų | 89.5 | 82% | 0.82 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -101.9 | -4.4 | -179 | -86.2 | -94.5 | 0 | 0 | 0 | 114.7 | V229 L230 Y231 | V229-Y233 HydrophobicContact CG1-CD2 4.36Å; V229-Y233 PolarHBondContact O-N 2.93Å; L230-Y233 PolarHBondContact O-N 2.84Å; Y231-Y233 VanDerWaalsContact C-N 3.29Å; Y231-Y233 PolarHBondContact O-N 3.44Å |
| 234 | S | 67.5 | Low | 71.6 | Confident | 36 Ų | 36 | 91 Ų | 91 | 25% | 0.252 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -131.5 | 141.8 | -176.9 | -156.6 | 0 | 0 | 0 | 0 | 111.6 | L230 V236 R238 | L230-S234 WeakPolarHBondContact O-CA 3.44Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 2.74Å; S234-V236 PolarHBondContact O-N 3.37Å; S234-R238 WeakPolarHBondContact OG-CB 3.41Å |
| 235 | T | 73.5 | Confident | 71.7 | Confident | 94 Ų | 94 | 89.4 Ų | 89.4 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | trans | -56.5 | 140.2 | 175.7 | -24.2 | 0 | 0 | 0 | 0 | 109.8 | S237 R238 F239 | T235-S237 PolarHBondContact O-N 2.79Å; T235-R238 PolarHBondContact O-N 3.47Å; T235-F239 PolarHBondContact O-N 3.09Å; T235-F239 VanDerWaalsContact O-N 3.08Å | ||
| 236 | V | 70.9 | Confident | 71.7 | Confident | 81 Ų | 81 | 85.8 Ų | 85.8 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -46.8 | -40.2 | -176.5 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | Y231 S234 F239 V240 | Y231-V236 HydrophobicContact CE2-CG2 3.9Å; S234-V236 PolarHBondContact O-N 3.37Å; V236-F239 PolarHBondContact O-N 2.83Å; V236-V240 HydrophobicContact CG1-CG2 4.41Å; V236-V240 VanDerWaalsContact O-CG2 3.29Å; V236-V240 WeakPolarHBondContact O-CG2 3.2Å; V236-V240 PolarHBondContact O-N 3.32Å |
| 237 | S | 69.4 | Low | 72.1 | Confident | 84 Ų | 84 | 89.5 Ų | 89.5 | 59% | 0.587 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 113.8 | T235 L241 | T235-S237 PolarHBondContact O-N 2.79Å; S237-L241 PolarHBondContact O-N 2.89Å; S237-L241 VanDerWaalsContact O-N 3.09Å |
| 238 | R | 69.5 | Low | 72.5 | Confident | 168 Ų | 168 | 91.8 Ų | 91.8 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.2 | -39.5 | 178.3 | -71 | -178.3 | 176.8 | 170 | -0 | 111 | S234 T235 L241 V242 | S234-R238 WeakPolarHBondContact OG-CB 3.41Å; T235-R238 PolarHBondContact O-N 3.47Å; R238-L241 PolarHBondContact O-N 2.94Å; R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.19Å; R238-V242 PolarHBondContact O-N 3.33Å |
| 239 | F | 70.7 | Confident | 72.7 | Confident | 33 Ų | 33 | 95.2 Ų | 95.2 | 15% | 0.145 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 176.2 | 177.9 | -107.8 | 0 | 0 | 0 | 112.2 | F227 L230 Y231 T235 V236 L241 V242 I243 | F227-F239 HydrophobicContact CB-CE2 3.87Å; F227-F239 HydrophobicContact CB-CZ 3.88Å; F227-F239 AromaticContact CD1-CE2 3.89Å; F227-F239 HydrophobicContact CD1-CE2 3.89Å; F227-F239 HydrophobicContact CD1-CZ 4.37Å; F227-F239 HydrophobicContact CG-CE2 4.32Å; F227-F239 HydrophobicContact CG-CZ 4.46Å; F227-F239 WeakPolarHBondContact O-CE2 3.22Å; F227-F239 WeakPolarHBondContact O-CZ 3.36Å; L230-F239 HydrophobicContact CB-CD2 3.97Å; L230-F239 HydrophobicContact CB-CE2 4.02Å; Y231-F239 AromaticContact CD2-CD1 3.81Å; Y231-F239 HydrophobicContact CD2-CD1 3.81Å; Y231-F239 AromaticContact CD2-CE1 4Å; Y231-F239 HydrophobicContact CD2-CE1 4Å; Y231-F239 HydrophobicContact CD2-CG 4.24Å; T235-F239 PolarHBondContact O-N 3.09Å; T235-F239 VanDerWaalsContact O-N 3.08Å; V236-F239 PolarHBondContact O-N 2.83Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.05Å; F239-V242 PolarHBondContact O-N 2.85Å; F239-I243 HydrophobicContact CD1-CD1 4Å; F239-I243 HydrophobicContact CD2-CD1 4.33Å; F239-I243 HydrophobicContact CE1-CD1 3.38Å; F239-I243 HydrophobicContact CE2-CD1 3.72Å; F239-I243 HydrophobicContact CE2-CG1 4.34Å; F239-I243 HydrophobicContact CG-CD1 4.46Å; F239-I243 HydrophobicContact CZ-CD1 3.24Å; F239-I243 HydrophobicContact CZ-CG1 4.31Å; F239-I243 PolarHBondContact O-N 3.47Å |
| 240 | V | 74.3 | Confident | 72.8 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | V236 V242 I243 C244 | V236-V240 HydrophobicContact CG1-CG2 4.41Å; V236-V240 VanDerWaalsContact O-CG2 3.29Å; V236-V240 WeakPolarHBondContact O-CG2 3.2Å; V236-V240 PolarHBondContact O-N 3.32Å; V240-V242 PolarHBondContact O-N 3.47Å; V240-I243 PolarHBondContact O-N 3.25Å; V240-C244 WeakPolarHBondContact O-CB 3.21Å; V240-C244 PolarHBondContact O-N 3.36Å; V240-C244 PolarHBondContact O-SG 2.94Å; V240-C244 VanDerWaalsContact O-SG 3.32Å |
| 241 | L | 72 | Confident | 73.1 | Confident | 108 Ų | 108 | 96.3 Ų | 96.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.4 | -44 | 176.5 | -97.6 | 179.1 | 0 | 0 | 0 | 112.6 | S237 R238 F239 C244 C245 | S237-L241 PolarHBondContact O-N 2.89Å; S237-L241 VanDerWaalsContact O-N 3.09Å; R238-L241 PolarHBondContact O-N 2.94Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.05Å; L241-C244 PolarHBondContact O-N 2.89Å; L241-C245 WeakPolarHBondContact O-CB 3.5Å; L241-C245 PolarHBondContact O-N 3.45Å; L241-C245 PolarHBondContact O-SG 3.42Å |
| 242 | V | 72.1 | Confident | 73.2 | Confident | 86 Ų | 86 | 96 Ų | 96 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | -179.8 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | R238 F239 V240 G246 | R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.19Å; R238-V242 PolarHBondContact O-N 3.33Å; F239-V242 PolarHBondContact O-N 2.85Å; V240-V242 PolarHBondContact O-N 3.47Å; V242-G246 PolarHBondContact O-N 3.33Å |
| 243 | I | 77.1 | Confident | 73 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 31% | 0.308 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 174.1 | -72 | 178.1 | 0 | 0 | 0 | 111 | F227 F239 V240 C245 G246 F247 | F227-I243 HydrophobicContact CD1-CD1 3.99Å; F227-I243 HydrophobicContact CD1-CG1 3.82Å; F227-I243 HydrophobicContact CE1-CD1 4.28Å; F227-I243 HydrophobicContact CE1-CG1 3.64Å; F227-I243 HydrophobicContact CG-CD1 4.36Å; F227-I243 HydrophobicContact CZ-CG1 4.25Å; F239-I243 HydrophobicContact CD1-CD1 4Å; F239-I243 HydrophobicContact CD2-CD1 4.33Å; F239-I243 HydrophobicContact CE1-CD1 3.38Å; F239-I243 HydrophobicContact CE2-CD1 3.72Å; F239-I243 HydrophobicContact CE2-CG1 4.34Å; F239-I243 HydrophobicContact CG-CD1 4.46Å; F239-I243 HydrophobicContact CZ-CD1 3.24Å; F239-I243 HydrophobicContact CZ-CG1 4.31Å; F239-I243 PolarHBondContact O-N 3.47Å; V240-I243 PolarHBondContact O-N 3.25Å; I243-C245 VanDerWaalsContact C-N 3.34Å; I243-C245 PolarHBondContact O-N 2.73Å; I243-G246 PolarHBondContact O-N 3.37Å; I243-F247 VanDerWaalsContact O-CB 3.3Å; I243-F247 WeakPolarHBondContact O-CB 3.22Å; I243-F247 PolarHBondContact O-N 2.83Å |
| 244 | C | 75.7 | Confident | 72.7 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 179.1 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | V240 L241 F248 | V240-C244 WeakPolarHBondContact O-CB 3.21Å; V240-C244 PolarHBondContact O-N 3.36Å; V240-C244 PolarHBondContact O-SG 2.94Å; V240-C244 VanDerWaalsContact O-SG 3.32Å; L241-C244 PolarHBondContact O-N 2.89Å; C244-F248 WeakPolarHBondContact O-CB 3.43Å; C244-F248 PolarHBondContact O-N 2.97Å |
| 245 | C | 76.5 | Confident | 71.9 | Confident | 62 Ų | 62 | 91.8 Ų | 91.8 | 42% | 0.419 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 175 | -77.6 | 0 | 0 | 0 | 0 | 112 | L241 I243 F248 F249 | L241-C245 WeakPolarHBondContact O-CB 3.5Å; L241-C245 PolarHBondContact O-N 3.45Å; L241-C245 PolarHBondContact O-SG 3.42Å; I243-C245 VanDerWaalsContact C-N 3.34Å; I243-C245 PolarHBondContact O-N 2.73Å; C245-F248 WeakPolarHBondContact O-CB 3.46Å; C245-F248 PolarHBondContact O-N 2.97Å; C245-F249 WeakPolarHBondContact O-CD2 3.43Å; C245-F249 PolarHBondContact O-N 3.47Å |
| 246 | G | 74.6 | Confident | 71 | Confident | 41 Ų | 41 | 97.4 Ų | 97.4 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V242 I243 F249 Y250 | V242-G246 PolarHBondContact O-N 3.33Å; I243-G246 PolarHBondContact O-N 3.37Å; G246-F249 PolarHBondContact O-N 2.8Å; G246-Y250 WeakPolarHBondContact O-CB 3.43Å; G246-Y250 PolarHBondContact O-N 2.69Å |
| 247 | F | 80.1 | Confident | 70.1 | Confident | 146 Ų | 146 | 99.2 Ų | 99.2 | 64% | 0.64 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 174.2 | -175 | -96.2 | 0 | 0 | 0 | 112 | I243 Y250 A251 | I243-F247 VanDerWaalsContact O-CB 3.3Å; I243-F247 WeakPolarHBondContact O-CB 3.22Å; I243-F247 PolarHBondContact O-N 2.83Å; F247-Y250 PolarHBondContact O-N 2.95Å; F247-A251 VanDerWaalsContact O-CB 3.28Å; F247-A251 WeakPolarHBondContact O-CB 3.12Å; F247-A251 PolarHBondContact O-N 3.29Å |
| 248 | F | 78.7 | Confident | 69.2 | Low | 116 Ų | 116 | 97.8 Ų | 97.8 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -52.5 | 174.8 | -173.5 | -92.9 | 0 | 0 | 0 | 110.5 | C244 C245 Y250 A251 F252 | C244-F248 WeakPolarHBondContact O-CB 3.43Å; C244-F248 PolarHBondContact O-N 2.97Å; C245-F248 WeakPolarHBondContact O-CB 3.46Å; C245-F248 PolarHBondContact O-N 2.97Å; F248-Y250 VanDerWaalsContact C-N 3.31Å; F248-Y250 PolarHBondContact O-N 3.14Å; F248-A251 PolarHBondContact O-N 3.45Å; F248-A251 VanDerWaalsContact O-N 3.13Å; F248-F252 AromaticContact CD1-CD2 3.65Å; F248-F252 HydrophobicContact CD1-CD2 3.65Å; F248-F252 AromaticContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD2-CD2 4.17Å; F248-F252 AromaticContact CD2-CE2 3.75Å; F248-F252 HydrophobicContact CD2-CE2 3.75Å; F248-F252 AromaticContact CE1-CD2 3.54Å; F248-F252 HydrophobicContact CE1-CD2 3.54Å; F248-F252 AromaticContact CE1-CE2 3.23Å; F248-F252 HydrophobicContact CE1-CE2 3.23Å; F248-F252 HydrophobicContact CE1-CG 4.33Å; F248-F252 AromaticContact CE1-CZ 3.75Å; F248-F252 HydrophobicContact CE1-CZ 3.75Å; F248-F252 HydrophobicContact CE2-CD2 4.1Å; F248-F252 AromaticContact CE2-CE2 3.26Å; F248-F252 HydrophobicContact CE2-CE2 3.26Å; F248-F252 AromaticContact CE2-CZ 3.98Å; F248-F252 HydrophobicContact CE2-CZ 3.98Å; F248-F252 AromaticContact CG-CD2 3.98Å; F248-F252 HydrophobicContact CG-CD2 3.98Å; F248-F252 AromaticContact CG-CE2 3.99Å; F248-F252 HydrophobicContact CG-CE2 3.99Å; F248-F252 AromaticContact CZ-CD2 3.8Å; F248-F252 HydrophobicContact CZ-CD2 3.8Å; F248-F252 HydrophobicContact CZ-CE1 4.46Å; F248-F252 AromaticContact CZ-CE2 2.98Å; F248-F252 HydrophobicContact CZ-CE2 2.98Å; F248-F252 AromaticContact CZ-CZ 3.38Å; F248-F252 HydrophobicContact CZ-CZ 3.38Å; F248-F252 WeakPolarHBondContact O-CD2 3.24Å; F248-F252 PolarHBondContact O-N 2.88Å |
| 249 | F | 75.5 | Confident | 68.2 | Low | 136 Ų | 136 | 101 Ų | 101 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 176.8 | -78.9 | -66.3 | 0 | 0 | 0 | 112.1 | C245 G246 A251 F252 E253 | C245-F249 WeakPolarHBondContact O-CD2 3.43Å; C245-F249 PolarHBondContact O-N 3.47Å; G246-F249 PolarHBondContact O-N 2.8Å; F249-A251 PolarHBondContact O-N 3.16Å; F249-F252 PolarHBondContact O-N 3.21Å; F249-E253 VanDerWaalsContact O-CB 3.24Å; F249-E253 WeakPolarHBondContact O-CB 3.2Å; F249-E253 PolarHBondContact O-N 3.46Å |
| 250 | Y | 73.8 | Confident | 67 | Low | 145 Ų | 145 | 108.3 Ų | 108.3 | 57% | 0.569 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 174.1 | -178.4 | -99.9 | 0 | 0 | 0 | 112.4 | G246 F247 F248 F252 E253 V254 | G246-Y250 WeakPolarHBondContact O-CB 3.43Å; G246-Y250 PolarHBondContact O-N 2.69Å; F247-Y250 PolarHBondContact O-N 2.95Å; F248-Y250 VanDerWaalsContact C-N 3.31Å; F248-Y250 PolarHBondContact O-N 3.14Å; Y250-F252 VanDerWaalsContact C-N 3.32Å; Y250-F252 PolarHBondContact O-N 2.9Å; Y250-E253 PolarHBondContact O-N 2.86Å; Y250-V254 HydrophobicContact CD1-CG2 4.22Å; Y250-V254 HydrophobicContact CD2-CG2 3.82Å; Y250-V254 HydrophobicContact CE1-CB 4.47Å; Y250-V254 HydrophobicContact CE1-CG2 3.92Å; Y250-V254 HydrophobicContact CE2-CG2 3.5Å; Y250-V254 HydrophobicContact CG-CG2 4.18Å; Y250-V254 VanDerWaalsContact O-CB 3.23Å; Y250-V254 WeakPolarHBondContact O-CB 3.34Å; Y250-V254 VanDerWaalsContact O-CG2 3.28Å; Y250-V254 WeakPolarHBondContact O-CG2 3.29Å; Y250-V254 PolarHBondContact O-N 3.47Å |
| 251 | A | 76.4 | Confident | 65.9 | Low | 26 Ų | 26 | 110.7 Ų | 110.7 | 22% | 0.215 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -66.9 | -32.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F247 F248 F249 W256 | F247-A251 VanDerWaalsContact O-CB 3.28Å; F247-A251 WeakPolarHBondContact O-CB 3.12Å; F247-A251 PolarHBondContact O-N 3.29Å; F248-A251 PolarHBondContact O-N 3.45Å; F248-A251 VanDerWaalsContact O-N 3.13Å; F249-A251 PolarHBondContact O-N 3.16Å; A251-W256 WeakPolarHBondContact O-CB 3.39Å; A251-W256 PolarHBondContact O-N 3.26Å; A251-W256 VanDerWaalsContact O-N 3.16Å |
| 252 | F | 72.5 | Confident | 64.9 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 44% | 0.443 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.5 | -40.1 | 172.8 | -89.9 | -99 | 0 | 0 | 0 | 111.8 | F248 F249 Y250 F257 | F248-F252 AromaticContact CD1-CD2 3.65Å; F248-F252 HydrophobicContact CD1-CD2 3.65Å; F248-F252 AromaticContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD2-CD2 4.17Å; F248-F252 AromaticContact CD2-CE2 3.75Å; F248-F252 HydrophobicContact CD2-CE2 3.75Å; F248-F252 AromaticContact CE1-CD2 3.54Å; F248-F252 HydrophobicContact CE1-CD2 3.54Å; F248-F252 AromaticContact CE1-CE2 3.23Å; F248-F252 HydrophobicContact CE1-CE2 3.23Å; F248-F252 HydrophobicContact CE1-CG 4.33Å; F248-F252 AromaticContact CE1-CZ 3.75Å; F248-F252 HydrophobicContact CE1-CZ 3.75Å; F248-F252 HydrophobicContact CE2-CD2 4.1Å; F248-F252 AromaticContact CE2-CE2 3.26Å; F248-F252 HydrophobicContact CE2-CE2 3.26Å; F248-F252 AromaticContact CE2-CZ 3.98Å; F248-F252 HydrophobicContact CE2-CZ 3.98Å; F248-F252 AromaticContact CG-CD2 3.98Å; F248-F252 HydrophobicContact CG-CD2 3.98Å; F248-F252 AromaticContact CG-CE2 3.99Å; F248-F252 HydrophobicContact CG-CE2 3.99Å; F248-F252 AromaticContact CZ-CD2 3.8Å; F248-F252 HydrophobicContact CZ-CD2 3.8Å; F248-F252 HydrophobicContact CZ-CE1 4.46Å; F248-F252 AromaticContact CZ-CE2 2.98Å; F248-F252 HydrophobicContact CZ-CE2 2.98Å; F248-F252 AromaticContact CZ-CZ 3.38Å; F248-F252 HydrophobicContact CZ-CZ 3.38Å; F248-F252 WeakPolarHBondContact O-CD2 3.24Å; F248-F252 PolarHBondContact O-N 2.88Å; F249-F252 PolarHBondContact O-N 3.21Å; Y250-F252 VanDerWaalsContact C-N 3.32Å; Y250-F252 PolarHBondContact O-N 2.9Å; F252-F257 HydrophobicContact CD1-CD2 4.27Å; F252-F257 HydrophobicContact CE1-CD2 4.01Å; F252-F257 AromaticContact CE1-CE2 3.82Å; F252-F257 HydrophobicContact CE1-CE2 3.82Å; F252-F257 HydrophobicContact CZ-CE2 4.32Å |
| 253 | E | 64.3 | Low | 64 | Low | 164 Ų | 164 | 109.8 Ų | 109.8 | 77% | 0.766 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -79.4 | -34.2 | -176.9 | -158.3 | 162 | -157 | 0 | 0 | 112.4 | F249 Y250 G255 | F249-E253 VanDerWaalsContact O-CB 3.24Å; F249-E253 WeakPolarHBondContact O-CB 3.2Å; F249-E253 PolarHBondContact O-N 3.46Å; Y250-E253 PolarHBondContact O-N 2.86Å; E253-G255 PolarHBondContact O-N 3.45Å |
| 254 | V | 61.8 | Low | 62.8 | Low | 94 Ų | 94 | 111 Ų | 111 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 3.6 | 177.3 | 177 | 0 | 0 | 0 | 0 | 113.2 | Y250 | Y250-V254 HydrophobicContact CD1-CG2 4.22Å; Y250-V254 HydrophobicContact CD2-CG2 3.82Å; Y250-V254 HydrophobicContact CE1-CB 4.47Å; Y250-V254 HydrophobicContact CE1-CG2 3.92Å; Y250-V254 HydrophobicContact CE2-CG2 3.5Å; Y250-V254 HydrophobicContact CG-CG2 4.18Å; Y250-V254 VanDerWaalsContact O-CB 3.23Å; Y250-V254 WeakPolarHBondContact O-CB 3.34Å; Y250-V254 VanDerWaalsContact O-CG2 3.28Å; Y250-V254 WeakPolarHBondContact O-CG2 3.29Å; Y250-V254 PolarHBondContact O-N 3.47Å |
| 255 | G | 50.9 | Low | 61.6 | Low | 34 Ų | 34 | 117.5 Ų | 117.5 | 35% | 0.351 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 94.1 | 41.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E253 F257 G258 | E253-G255 PolarHBondContact O-N 3.45Å; G255-F257 PolarHBondContact O-N 2.82Å; G255-G258 VanDerWaalsContact C-N 3.33Å; G255-G258 WeakPolarHBondContact O-CA 3.33Å; G255-G258 PolarHBondContact O-N 2.94Å |
| 256 | W | 54 | Low | 60.3 | Low | 212 Ų | 212 | 122.2 Ų | 122.2 | 80% | 0.803 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -28.3 | 155.6 | -163.1 | -72 | 0 | 0 | 0 | 111.5 | A251 | A251-W256 WeakPolarHBondContact O-CB 3.39Å; A251-W256 PolarHBondContact O-N 3.26Å; A251-W256 VanDerWaalsContact O-N 3.16Å |
| 257 | F | 51.1 | Low | 59 | Low | 120 Ų | 120 | 131 Ų | 131 | 53% | 0.526 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.3 | 6 | 167.7 | -88.5 | -83.6 | 0 | 0 | 0 | 114.4 | F252 G255 R259 W260 | F252-F257 HydrophobicContact CD1-CD2 4.27Å; F252-F257 HydrophobicContact CE1-CD2 4.01Å; F252-F257 AromaticContact CE1-CE2 3.82Å; F252-F257 HydrophobicContact CE1-CE2 3.82Å; F252-F257 HydrophobicContact CZ-CE2 4.32Å; G255-F257 PolarHBondContact O-N 2.82Å; F257-R259 PolarHBondContact O-N 3.3Å; F257-W260 HydrophobicContact CD1-CB 4.3Å; F257-W260 HydrophobicContact CD1-CG 4.22Å; F257-W260 PolarHBondContact O-N 2.95Å; F257-W260 VanDerWaalsContact O-N 3.11Å |
| 258 | G | 50.6 | Low | 57.4 | Low | 53 Ų | 53 | 134.2 Ų | 134.2 | 55% | 0.546 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -72.3 | -10.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G255 W260 | G255-G258 VanDerWaalsContact C-N 3.33Å; G255-G258 WeakPolarHBondContact O-CA 3.33Å; G255-G258 PolarHBondContact O-N 2.94Å; G258-W260 VanDerWaalsContact C-N 3.26Å |
| 259 | R | 50.3 | Low | 55.7 | Low | 235 Ų | 235 | 135.7 Ų | 135.7 | 89% | 0.887 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -80.6 | -6.7 | 169.2 | -151.2 | -178.9 | -157.6 | -156.4 | 5.1 | 113.3 | F257 | F257-R259 PolarHBondContact O-N 3.3Š|
| 260 | W | 45.3 | Very low | 54.6 | Low | 188 Ų | 188 | 134.5 Ų | 134.5 | 71% | 0.712 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -119.6 | 33.3 | -173.2 | -61 | 72.5 | 0 | 0 | 0 | 111.7 | F257 G258 P262 | F257-W260 HydrophobicContact CD1-CB 4.3Å; F257-W260 HydrophobicContact CD1-CG 4.22Å; F257-W260 PolarHBondContact O-N 2.95Å; F257-W260 VanDerWaalsContact O-N 3.11Å; G258-W260 VanDerWaalsContact C-N 3.26Å; W260-P262 WeakPolarHBondContact O-CD 3.28Å |
| 261 | N | 49.5 | Very low | 53.4 | Low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 66% | 0.659 | S | S | * | * | trans | -100.7 | 74.5 | 168.2 | -127.9 | 12.5 | 0 | 0 | 0 | 109.6 | A263 | N261-A263 PolarHBondContact O-N 3.19Å; N261-A263 VanDerWaalsContact O-N 3.14Å | ||
| 262 | P | 51 | Low | 52.1 | Low | 100 Ų | 100 | 139.7 Ų | 139.7 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -66.3 | -6.9 | 173.4 | 28.4 | -33 | 0 | 0 | 0 | 112.7 | W260 A264 R265 | W260-P262 WeakPolarHBondContact O-CD 3.28Å; P262-A264 PolarHBondContact O-N 2.95Å; P262-R265 PolarHBondContact O-N 3.29Å; P262-R265 VanDerWaalsContact O-N 3.17Å |
| 263 | A | 53.7 | Low | 50.9 | Low | 74 Ų | 74 | 140.6 Ų | 140.6 | 61% | 0.612 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -70.4 | -9.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N261 | N261-A263 PolarHBondContact O-N 3.19Å; N261-A263 VanDerWaalsContact O-N 3.14Å |
| 264 | A | 53.2 | Low | 50.4 | Low | 87 Ų | 87 | 141 Ų | 141 | 72% | 0.719 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -91.6 | -2.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P262 | P262-A264 PolarHBondContact O-N 2.95Š|
| 265 | R | 49.6 | Very low | 49.8 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 79% | 0.789 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -17.1 | -177 | -159.3 | 169.3 | -179.8 | 177.4 | -1 | 114 | P262 | P262-R265 PolarHBondContact O-N 3.29Å; P262-R265 VanDerWaalsContact O-N 3.17Å |
| 266 | E | 49.9 | Very low | 49.7 | Very low | 162 Ų | 162 | 150 Ų | 150 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -84.4 | -23 | -176.9 | -155.9 | 89.3 | -154.3 | 0 | 0 | 113.7 | R268 | E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 3.35Å |
| 267 | R | 46.1 | Very low | 49.4 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 85% | 0.849 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -78.5 | -4.1 | 178.4 | -73.2 | -124.9 | -147.1 | -153.8 | 7 | 114.7 | N269 | R267-N269 VanDerWaalsContact C-N 3.27Å; R267-N269 PolarHBondContact O-N 2.95Å |
| 268 | R | 47.2 | Very low | 49.5 | Very low | 214 Ų | 214 | 144.5 Ų | 144.5 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -83 | -0 | 177.5 | -157.1 | -174.7 | -69.5 | -176.9 | -4.3 | 113.3 | E266 | E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 3.35Å |
| 269 | N | 43.1 | Very low | 49.5 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -123.3 | 22.6 | -177.7 | -83.8 | -34.4 | 0 | 0 | 0 | 113.8 | R267 P271 | R267-N269 VanDerWaalsContact C-N 3.27Å; R267-N269 PolarHBondContact O-N 2.95Å; N269-P271 WeakPolarHBondContact O-CD 3.32Å |
| 270 | V | 51.3 | Low | 49.6 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | trans | -88.4 | 111.1 | 166.6 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | E272 | V270-E272 PolarHBondContact O-N 3.08Å; V270-E272 VanDerWaalsContact O-N 3.16Å | ||
| 271 | P | 50.6 | Low | 49.9 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -68.4 | 113.6 | 176.8 | 26.9 | -27.4 | 0 | 0 | 0 | 107.8 | N269 P273 | N269-P271 WeakPolarHBondContact O-CD 3.32Å; P271-P273 WeakPolarHBondContact O-CD 3.45Å | ||
| 272 | E | 48.7 | Very low | 49.8 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -61.2 | 119.4 | 175.4 | -160.4 | 177.3 | 119.8 | 0 | 0 | 108.8 | V270 E274 | V270-E272 PolarHBondContact O-N 3.08Å; V270-E272 VanDerWaalsContact O-N 3.16Å; E272-E274 PolarHBondContact O-N 2.74Å | ||
| 273 | P | 47.7 | Very low | 49.7 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -92.8 | 67.7 | -174.7 | 36.1 | -31.2 | 0 | 0 | 0 | 109.7 | P271 | P271-P273 WeakPolarHBondContact O-CD 3.45Š|
| 274 | E | 52.7 | Low | 49.8 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -158.7 | 28.4 | 178.4 | -120.9 | 172 | -167.1 | 0 | 0 | 117.6 | E272 | E272-E274 PolarHBondContact O-N 2.74Š| ||
| 275 | E | 48.8 | Very low | 49.7 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -132.5 | 14.6 | 170.5 | -89.4 | -162.7 | 116.3 | 0 | 0 | 115 | ||
| 276 | L | 50 | Low | 49.9 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -86.1 | -15.6 | 178.1 | -131.7 | 97.7 | 0 | 0 | 0 | 114.9 | ||
| 277 | D | 46.5 | Very low | 50 | Low | 132 Ų | 132 | 139.8 Ų | 139.8 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -91.2 | -23.1 | -177.7 | -101.2 | -38.1 | 0 | 0 | 0 | 114.4 | ||
| 278 | A | 53.2 | Low | 50.3 | Low | 85 Ų | 85 | 134.7 Ų | 134.7 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -18.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 279 | R | 52 | Low | 50.6 | Low | 215 Ų | 215 | 131 Ų | 131 | 81% | 0.811 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -10.8 | 174.8 | -94.6 | 179.7 | 154.5 | 155.3 | -3.7 | 114 | N283 | R279-N283 PolarHBondContact O-ND2 3.33Š|
| 280 | E | 51 | Low | 50.9 | Low | 121 Ų | 121 | 133.3 Ų | 133.3 | 57% | 0.565 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -31.6 | 172.4 | -134.2 | 173.3 | 108.2 | 0 | 0 | 111.7 | G282 N283 V284 | E280-G282 PolarHBondContact O-N 3.35Å; E280-N283 PolarHBondContact O-N 2.9Å; E280-V284 VanDerWaalsContact O-CG2 3.28Å; E280-V284 WeakPolarHBondContact O-CG2 3.06Å; E280-V284 PolarHBondContact O-N 3.17Å |
| 281 | L | 52.6 | Low | 50.8 | Low | 134 Ų | 134 | 135.8 Ų | 135.8 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.2 | -23.8 | 175.7 | -112.6 | 127 | 0 | 0 | 0 | 114.9 | ||
| 282 | G | 47 | Very low | 50.7 | Low | 47 Ų | 47 | 137.7 Ų | 137.7 | 49% | 0.485 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -82.5 | -24.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E280 | E280-G282 PolarHBondContact O-N 3.35Å |
| 283 | N | 49.5 | Very low | 50.7 | Low | 94 Ų | 94 | 137 Ų | 137 | 50% | 0.503 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -96.1 | -12.2 | -178.3 | -80.6 | -40.5 | 0 | 0 | 0 | 113.6 | R279 E280 R287 | R279-N283 PolarHBondContact O-ND2 3.33Å; E280-N283 PolarHBondContact O-N 2.9Å; N283-R287 WeakPolarHBondContact O-CD 3.45Å; N283-R287 VanDerWaalsContact O-CG 3.26Å; N283-R287 WeakPolarHBondContact O-CG 3.46Å |
| 284 | V | 54.1 | Low | 50.5 | Low | 78 Ų | 78 | 134.9 Ų | 134.9 | 47% | 0.473 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -85.5 | -38.2 | 173.2 | 175.9 | 0 | 0 | 0 | 0 | 111 | E280 E286 R287 E288 | E280-V284 VanDerWaalsContact O-CG2 3.28Å; E280-V284 WeakPolarHBondContact O-CG2 3.06Å; E280-V284 PolarHBondContact O-N 3.17Å; V284-E286 VanDerWaalsContact C-N 3.33Å; V284-E286 PolarHBondContact O-N 2.92Å; V284-R287 PolarHBondContact O-N 3.36Å; V284-E288 PolarHBondContact O-N 3.48Å; V284-E288 VanDerWaalsContact O-N 3.15Å |
| 285 | H | 52.5 | Low | 50.2 | Low | 133 Ų | 133 | 132.6 Ų | 132.6 | 62% | 0.616 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68 | -30.3 | 178.1 | -161 | 64.5 | 0 | 0 | 0 | 113.2 | ||
| 286 | E | 52.6 | Low | 49.9 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 61% | 0.607 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -84.6 | -11.2 | 176.8 | -165.3 | 141.8 | 89.6 | 0 | 0 | 113.5 | V284 | V284-E286 VanDerWaalsContact C-N 3.33Å; V284-E286 PolarHBondContact O-N 2.92Å |
| 287 | R | 53.1 | Low | 49.3 | Very low | 182 Ų | 182 | 128 Ų | 128 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -93.5 | -26.8 | 173.9 | -73.6 | -178.6 | -179.3 | 166.3 | 3.1 | 113.1 | N283 V284 Q291 | N283-R287 WeakPolarHBondContact O-CD 3.45Å; N283-R287 VanDerWaalsContact O-CG 3.26Å; N283-R287 WeakPolarHBondContact O-CG 3.46Å; V284-R287 PolarHBondContact O-N 3.36Å; R287-Q291 WeakPolarHBondContact O-CB 3.28Å |
| 288 | E | 52.8 | Low | 49.3 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 55% | 0.551 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.2 | -37.3 | 170.1 | -85.7 | -173.6 | 84.9 | 0 | 0 | 112.8 | V284 R290 | V284-E288 PolarHBondContact O-N 3.48Å; V284-E288 VanDerWaalsContact O-N 3.15Å; E288-R290 VanDerWaalsContact C-N 3.34Å; E288-R290 PolarHBondContact O-N 3.24Å |
| 289 | H | 52 | Low | 49.1 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 63% | 0.625 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -13.6 | -179 | -112.8 | -83 | 0 | 0 | 0 | 114.9 | ||
| 290 | R | 50.4 | Low | 48.8 | Very low | 195 Ų | 195 | 125.5 Ų | 125.5 | 74% | 0.736 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -6.9 | 178.5 | -144.5 | -162.8 | -78.2 | 171.5 | -4.2 | 113.8 | E288 | E288-R290 VanDerWaalsContact C-N 3.34Å; E288-R290 PolarHBondContact O-N 3.24Å |
| 291 | Q | 48.3 | Very low | 48.5 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -101.9 | -1.6 | -178.9 | -159.9 | 131.7 | 47.8 | 0 | 0 | 113.4 | R287 | R287-Q291 WeakPolarHBondContact O-CB 3.28Š|
| 292 | Q | 48.4 | Very low | 48.3 | Very low | 152 Ų | 152 | 127 Ų | 127 | 71% | 0.71 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -99.3 | -3.2 | 177.4 | -76.1 | 171.3 | 3.7 | 0 | 0 | 114.5 | ||
| 293 | D | 48.5 | Very low | 48.3 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -107.7 | 8.2 | -177.7 | -93.8 | -53.7 | 0 | 0 | 0 | 114.9 | ||
| 294 | A | 43.6 | Very low | 47.8 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -146.8 | 71.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 295 | V | 46.9 | Very low | 47.1 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -171.9 | 113 | 150.1 | 136.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 296 | N | 43.9 | Very low | 46.4 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | 56.4 | 109 | 151.5 | -56.7 | -32.6 | 0 | 0 | 0 | 117.1 | ||||
| 297 | G | 37.3 | Very low | 45.7 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | 74.6 | 101.5 | 46 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 298 | D | 44.7 | Very low | 45 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 80.3 | 93.8 | 168.7 | -87.7 | -67.8 | 0 | 0 | 0 | 120.5 | ||||
| 299 | A | 49.4 | Very low | 44.4 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | 70.3 | 148.8 | 115 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 300 | P | 46.5 | Very low | 43.5 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -119.4 | 156.2 | -133.8 | 39.8 | -28.2 | 0 | 0 | 0 | 115.2 | ||||
| 301 | A | 43.5 | Very low | 43.3 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -165.8 | 114.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 302 | M | 48.9 | Very low | 42.9 | Very low | 181 Ų | 181 | 124.4 Ų | 124.4 | 89% | 0.892 | 78% | 0.775 | S | S | * | * | trans | -64.2 | -173 | 164.7 | -86.7 | -169.1 | -80.5 | 0 | 0 | 113 | ||||
| 303 | P | 48.2 | Very low | 42.5 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | -137.5 | -162.5 | -60.1 | 42.2 | -23.6 | 0 | 0 | 0 | 110.8 | |||||
| 304 | A | 39 | Very low | 41.8 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | 83.1 | 146 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 305 | A | 39.2 | Very low | 41.5 | Very low | 67 Ų | 67 | 124.2 Ų | 124.2 | 55% | 0.554 | 78% | 0.778 | S | S | * | * | cis | -165.8 | 163.2 | 12.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 306 | Q | 36.4 | Very low | 40.9 | Very low | 182 Ų | 182 | 124.2 Ų | 124.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 70.2 | 141.8 | 145.3 | -65.9 | 162.4 | -10.7 | 0 | 0 | 115.7 | ||||
| 307 | D | 39.7 | Very low | 40.6 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | cis | -162.6 | -179.3 | 22.9 | -157.6 | 70.1 | 0 | 0 | 0 | 109 | ||||
| 308 | Q | 37.3 | Very low | 40.3 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -114.8 | -148.6 | -144 | -155.7 | -161.1 | 31.8 | 0 | 0 | 110.1 | ||||
| 309 | P | 41 | Very low | 40 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | -116.2 | -173.5 | -122.6 | 40.6 | -21.8 | 0 | 0 | 0 | 114.7 | |||||
| 310 | G | 32.4 | Very low | 39.5 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 168.2 | 117.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 311 | P | 46.3 | Very low | 39.4 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -106.4 | 157.8 | 172.3 | 37.8 | -27.9 | 0 | 0 | 0 | 113.6 | ||||
| 312 | T | 40.8 | Very low | 39.4 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -160.1 | 112.7 | 174.4 | -3.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 313 | V | 38.8 | Very low | 39.2 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | 93.7 | 128 | 61.5 | 170.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 314 | A | 34.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | trans | 70.5 | 151.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 315 | E | 36.8 | Very low | 38.6 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | cis | -168.9 | 124.9 | 18.5 | -134.9 | 162.8 | 113.6 | 0 | 0 | 107.6 | ||||
| 316 | V | 34.5 | Very low | 38.4 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | 47.3 | 136.1 | 109.9 | -147.1 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 317 | F | 36.8 | Very low | 38.2 | Very low | 175 Ų | 175 | 127 Ų | 127 | 77% | 0.768 | 76% | 0.759 | S | S | * | * | trans | 111 | 100.9 | 146.4 | -102.5 | -88 | 0 | 0 | 0 | 120.9 | ||||
| 318 | N | 32.2 | Very low | 37.9 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 31.4 | 135.6 | 134.8 | -60.2 | -15.4 | 0 | 0 | 0 | 123.4 | ||||
| 319 | A | 38.7 | Very low | 37.8 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | 154 | 101.4 | 124 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 320 | E | 39.1 | Very low | 37.3 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | 100.8 | 159 | 89.5 | -106.1 | -154.6 | 112.2 | 0 | 0 | 113.1 | |||||
| 321 | P | 44.5 | Very low | 37.4 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | -124.5 | -176.8 | -116.1 | 39.1 | -22 | 0 | 0 | 0 | 114 | |||||
| 322 | V | 42 | Very low | 36.6 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -177.7 | 114.5 | 144.8 | 138.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 323 | V | 44.6 | Very low | 36.5 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | trans | 37.4 | 120.5 | 146.6 | -85.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 324 | N | 36.7 | Very low | 36.2 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | -172 | 101.9 | 83.6 | -113.4 | -10.6 | 0 | 0 | 0 | 109.8 | |||||
| 325 | A | 38.5 | Very low | 36.5 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | 83.6 | 87.1 | 98.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 326 | T | 34.5 | Very low | 36.6 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | 82.7 | 102.5 | 79.7 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 327 | S | 33.9 | Very low | 37 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 68.3 | 117.2 | 64.5 | -44.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 328 | Q | 33.1 | Very low | 37.1 | Very low | 185 Ų | 185 | 123.7 Ų | 123.7 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | 154.1 | 151.9 | 111.5 | -79.3 | -165.3 | 16.7 | 0 | 0 | 115.8 | |||||
| 329 | P | 34.9 | Very low | 37.3 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | -108.3 | 175.2 | 179.7 | 43.5 | -34.3 | 0 | 0 | 0 | 114.7 | ||||
| 330 | I | 30.8 | Very low | 37.4 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | 88.5 | 130.8 | 156.1 | -67.5 | 167.5 | 0 | 0 | 0 | 120.7 | ||||
| 331 | S | 34 | Very low | 37.2 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | 98.7 | 109.3 | 148.7 | -81.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 332 | T | 29.8 | Very low | 37.1 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | 61.2 | 116.4 | 123.9 | -35.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 333 | V | 37.4 | Very low | 36.8 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 166.9 | 141.5 | 119.3 | 157.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 334 | A | 34.3 | Very low | 36.4 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -47.6 | 148.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 335 | G | 39.8 | Very low | 36.6 | Very low | 77 Ų | 77 | 124.7 Ų | 124.7 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 176.1 | 109.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 336 | N | 39.1 | Very low | 36.8 | Very low | 169 Ų | 169 | 127.3 Ų | 127.3 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | -66.3 | 167.9 | -177.4 | -109.4 | -5 | 0 | 0 | 0 | 114.4 | ||||
| 337 | P | 42.8 | Very low | 37.2 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | -96.3 | 174 | -149.2 | 39.3 | -37.4 | 0 | 0 | 0 | 114.9 | ||||
| 338 | P | 39.5 | Very low | 37.6 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -128.9 | 118.3 | 143.2 | 33.6 | -18.8 | 0 | 0 | 0 | 112.3 | N340 | P338-N340 PolarHBondContact O-N 3.33Š| ||
| 339 | N | 35.5 | Very low | 38.3 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -1.9 | 113.4 | 141.3 | -44.2 | -17.7 | 0 | 0 | 0 | 115.3 | ||||
| 340 | N | 40.2 | Very low | 38.9 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -158.6 | 130.3 | 133.3 | -151.1 | 3.8 | 0 | 0 | 0 | 111.6 | P338 | P338-N340 PolarHBondContact O-N 3.33Š| ||
| 341 | E | 35 | Very low | 40.3 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | trans | -67.2 | 138 | 178.4 | -62.6 | 162.8 | 75.6 | 0 | 0 | 110.9 | ||||
| 342 | T | 42.6 | Very low | 42.2 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -150 | 94 | 144.2 | -59.5 | 0 | 0 | 0 | 0 | 108.5 | S344 | T342-S344 PolarHBondContact O-N 3.44Š| ||
| 343 | N | 35.4 | Very low | 44.3 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -57.1 | 125.5 | 167.5 | -67.3 | -66.9 | 0 | 0 | 0 | 110.5 | ||||
| 344 | S | 35.7 | Very low | 45.6 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -119.4 | 105.6 | 159.3 | -72.8 | 0 | 0 | 0 | 0 | 108.2 | T342 T346 | T342-S344 PolarHBondContact O-N 3.44Å; S344-T346 PolarHBondContact O-N 2.8Å | ||
| 345 | P | 42.9 | Very low | 47.5 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | trans | -74.4 | 118.3 | 174 | 29.8 | -29.4 | 0 | 0 | 0 | 108.2 | V347 | P345-V347 PolarHBondContact O-N 3.37Š| ||
| 346 | T | 42.1 | Very low | 49.3 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 83% | 0.828 | 71% | 0.714 | S | S | * | * | trans | -61.8 | 101.7 | 163.8 | -45.8 | 0 | 0 | 0 | 0 | 107.3 | S344 Q348 | S344-T346 PolarHBondContact O-N 2.8Å; T346-Q348 VanDerWaalsContact C-N 3.33Å; T346-Q348 PolarHBondContact O-N 2.96Å | ||
| 347 | V | 42.5 | Very low | 51 | Low | 126 Ų | 126 | 124 Ų | 124 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -64.7 | 96.1 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | P345 Q349 | P345-V347 PolarHBondContact O-N 3.37Å; V347-Q349 PolarHBondContact O-N 2.8Å; V347-Q349 VanDerWaalsContact O-N 3.08Å | ||
| 348 | Q | 41.8 | Very low | 52.7 | Low | 179 Ų | 179 | 126.1 Ų | 126.1 | 84% | 0.836 | 69% | 0.689 | S | S | * | * | trans | -58.1 | 106.8 | 162.5 | -84.1 | -104.8 | 4.1 | 0 | 0 | 107.5 | T346 Q350 | T346-Q348 VanDerWaalsContact C-N 3.33Å; T346-Q348 PolarHBondContact O-N 2.96Å; Q348-Q350 PolarHBondContact O-N 3.22Å | ||
| 349 | Q | 47.7 | Very low | 54.5 | Low | 181 Ų | 181 | 123.3 Ų | 123.3 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | trans | -69.5 | 98.8 | -177.1 | -163.7 | 162.8 | 13.7 | 0 | 0 | 109.1 | V347 | V347-Q349 PolarHBondContact O-N 2.8Å; V347-Q349 VanDerWaalsContact O-N 3.08Å | ||
| 350 | Q | 47.8 | Very low | 56.5 | Low | 175 Ų | 175 | 119.8 Ų | 119.8 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 127.5 | 178.9 | -171.8 | 167.3 | -25.7 | 0 | 0 | 110.1 | Q348 S352 | Q348-Q350 PolarHBondContact O-N 3.22Å; Q350-S352 PolarHBondContact O-N 2.94Å |
| 351 | P | 61.2 | Low | 58.3 | Low | 81 Ų | 81 | 114.7 Ų | 114.7 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 131.3 | -179.4 | 23.4 | -32.2 | 0 | 0 | 0 | 109.4 | G353 V356 | P351-G353 PolarHBondContact O-N 3.01Å; P351-V356 HydrophobicContact CB-CG2 3.99Å; P351-V356 HydrophobicContact CG-CG2 3.84Å |
| 352 | S | 73.9 | Confident | 60.2 | Low | 73 Ų | 73 | 116.7 Ų | 116.7 | 51% | 0.51 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -48 | 134 | 172.8 | 170.9 | 0 | 0 | 0 | 0 | 109.4 | Q350 W354 T355 V356 | Q350-S352 PolarHBondContact O-N 2.94Å; S352-W354 PolarHBondContact O-N 3.44Å; S352-W354 PolarHBondContact OG-N 2.79Å; S352-T355 WeakPolarHBondContact O-CA 3.23Å; S352-T355 WeakPolarHBondContact O-CB 3.47Å; S352-T355 PolarHBondContact O-N 3.49Å; S352-V356 PolarHBondContact O-N 3.16Å |
| 353 | G | 73.5 | Confident | 62.1 | Low | 59 Ų | 59 | 114.1 Ų | 114.1 | 61% | 0.608 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -54 | -24.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | P351 F357 | P351-G353 PolarHBondContact O-N 3.01Å; G353-F357 WeakPolarHBondContact O-CB 3.44Å; G353-F357 PolarHBondContact O-N 3.33Å |
| 354 | W | 64.9 | Low | 64 | Low | 168 Ų | 168 | 114.7 Ų | 114.7 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.9 | -43.8 | 171.7 | -160.6 | -114 | 0 | 0 | 0 | 112.7 | S352 F357 W358 | S352-W354 PolarHBondContact O-N 3.44Å; S352-W354 PolarHBondContact OG-N 2.79Å; W354-F357 PolarHBondContact O-N 2.89Å; W354-W358 AromaticContact CD1-CD1 3.5Å; W354-W358 AromaticContact CD1-NE1 3.5Å; W354-W358 AromaticContact CD2-NE1 3.73Å; W354-W358 AromaticContact CE2-CD1 3.8Å; W354-W358 AromaticContact CE2-NE1 3.04Å; W354-W358 AromaticContact CG-CD1 3.92Å; W354-W358 AromaticContact CG-NE1 3.98Å; W354-W358 HydrophobicContact CZ2-CZ2 4.12Å; W354-W358 AromaticContact CZ2-NE1 3.39Å; W354-W358 AromaticContact NE1-CD1 3.45Å; W354-W358 AromaticContact NE1-NE1 2.91Å; W354-W358 PolarHBondContact O-N 3.35Å |
| 355 | T | 74.6 | Confident | 65.8 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.6 | -40.9 | 177 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | S352 S359 | S352-T355 WeakPolarHBondContact O-CA 3.23Å; S352-T355 WeakPolarHBondContact O-CB 3.47Å; S352-T355 PolarHBondContact O-N 3.49Å; T355-S359 VanDerWaalsContact O-CB 3.28Å; T355-S359 WeakPolarHBondContact O-CB 3.39Å; T355-S359 PolarHBondContact O-N 3.25Å |
| 356 | V | 77 | Confident | 67 | Low | 67 Ų | 67 | 110.7 Ų | 110.7 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63 | -46.7 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | P351 S352 W358 S359 T360 | P351-V356 HydrophobicContact CB-CG2 3.99Å; P351-V356 HydrophobicContact CG-CG2 3.84Å; S352-V356 PolarHBondContact O-N 3.16Å; V356-W358 PolarHBondContact O-N 3.31Å; V356-S359 PolarHBondContact O-N 3.41Å; V356-T360 WeakPolarHBondContact O-CB 2.95Å; V356-T360 PolarHBondContact O-N 3.37Å; V356-T360 PolarHBondContact O-OG1 3.46Å |
| 357 | F | 75.6 | Confident | 68.3 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 47% | 0.474 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.1 | -47.5 | 177.8 | 175.7 | -97.5 | 0 | 0 | 0 | 112.7 | G353 W354 T360 C361 | G353-F357 WeakPolarHBondContact O-CB 3.44Å; G353-F357 PolarHBondContact O-N 3.33Å; W354-F357 PolarHBondContact O-N 2.89Å; F357-T360 PolarHBondContact O-N 3.03Å; F357-C361 VanDerWaalsContact CZ-SG 3.56Å; F357-C361 WeakPolarHBondContact O-CB 3.34Å; F357-C361 PolarHBondContact O-N 3.31Å; F357-C361 PolarHBondContact O-SG 3.47Å |
| 358 | W | 78.1 | Confident | 69.5 | Low | 145 Ų | 145 | 103.7 Ų | 103.7 | 55% | 0.549 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 177.7 | -78.1 | 107.7 | 0 | 0 | 0 | 112.7 | W354 V356 R362 | W354-W358 AromaticContact CD1-CD1 3.5Å; W354-W358 AromaticContact CD1-NE1 3.5Å; W354-W358 AromaticContact CD2-NE1 3.73Å; W354-W358 AromaticContact CE2-CD1 3.8Å; W354-W358 AromaticContact CE2-NE1 3.04Å; W354-W358 AromaticContact CG-CD1 3.92Å; W354-W358 AromaticContact CG-NE1 3.98Å; W354-W358 HydrophobicContact CZ2-CZ2 4.12Å; W354-W358 AromaticContact CZ2-NE1 3.39Å; W354-W358 AromaticContact NE1-CD1 3.45Å; W354-W358 AromaticContact NE1-NE1 2.91Å; W354-W358 PolarHBondContact O-N 3.35Å; V356-W358 PolarHBondContact O-N 3.31Å; W358-R362 VanDerWaalsContact O-CB 3.29Å; W358-R362 WeakPolarHBondContact O-CB 3.24Å; W358-R362 PolarHBondContact O-N 2.86Å |
| 359 | S | 76.4 | Confident | 70.4 | Confident | 62 Ų | 62 | 100.4 Ų | 100.4 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 175.3 | -167 | 0 | 0 | 0 | 0 | 111 | T355 V356 C361 R362 I363 | T355-S359 VanDerWaalsContact O-CB 3.28Å; T355-S359 WeakPolarHBondContact O-CB 3.39Å; T355-S359 PolarHBondContact O-N 3.25Å; V356-S359 PolarHBondContact O-N 3.41Å; S359-C361 PolarHBondContact O-N 2.83Å; S359-R362 PolarHBondContact O-N 3.35Å; S359-I363 WeakPolarHBondContact O-CB 3.34Å; S359-I363 WeakPolarHBondContact O-CD1 3.37Å; S359-I363 WeakPolarHBondContact O-CG1 3.33Å; S359-I363 PolarHBondContact O-N 3.49Å |
| 360 | T | 77.8 | Confident | 71.2 | Confident | 82 Ų | 82 | 94.4 Ų | 94.4 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 177.3 | -56 | 0 | 0 | 0 | 0 | 111.9 | V356 F357 I363 F364 | V356-T360 WeakPolarHBondContact O-CB 2.95Å; V356-T360 PolarHBondContact O-N 3.37Å; V356-T360 PolarHBondContact O-OG1 3.46Å; F357-T360 PolarHBondContact O-N 3.03Å; T360-I363 PolarHBondContact O-N 2.83Å; T360-F364 WeakPolarHBondContact O-CB 3.44Å; T360-F364 PolarHBondContact O-N 3.29Å |
| 361 | C | 77.7 | Confident | 71.8 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 32% | 0.318 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 174 | -82.1 | 0 | 0 | 0 | 0 | 111.5 | F357 S359 I363 F364 V365 | F357-C361 VanDerWaalsContact CZ-SG 3.56Å; F357-C361 WeakPolarHBondContact O-CB 3.34Å; F357-C361 PolarHBondContact O-N 3.31Å; F357-C361 PolarHBondContact O-SG 3.47Å; S359-C361 PolarHBondContact O-N 2.83Å; C361-I363 VanDerWaalsContact C-N 3.33Å; C361-I363 PolarHBondContact O-N 3.26Å; C361-F364 PolarHBondContact O-N 2.81Å; C361-V365 WeakPolarHBondContact O-CB 3.28Å; C361-V365 WeakPolarHBondContact O-CG2 3.45Å; C361-V365 PolarHBondContact O-N 3.45Å |
| 362 | R | 75.9 | Confident | 71.5 | Confident | 193 Ų | 193 | 87.2 Ų | 87.2 | 73% | 0.728 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 177 | -174.2 | -174.8 | 177.5 | 112.1 | 3.1 | 111.3 | W358 S359 S366 | W358-R362 VanDerWaalsContact O-CB 3.29Å; W358-R362 WeakPolarHBondContact O-CB 3.24Å; W358-R362 PolarHBondContact O-N 2.86Å; S359-R362 PolarHBondContact O-N 3.35Å; R362-S366 VanDerWaalsContact O-CB 3.27Å; R362-S366 WeakPolarHBondContact O-CB 3.3Å; R362-S366 PolarHBondContact O-N 3.25Å; R362-S366 PolarHBondContact O-OG 3.49Å; R362-S366 VanDerWaalsContact O-OG 3.05Å |
| 363 | I | 81.1 | Confident | 70.9 | Confident | 77 Ų | 77 | 89.2 Ų | 89.2 | 40% | 0.395 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.3 | -67 | 160.4 | 0 | 0 | 0 | 110.3 | S359 T360 C361 V365 S366 S367 | S359-I363 WeakPolarHBondContact O-CB 3.34Å; S359-I363 WeakPolarHBondContact O-CD1 3.37Å; S359-I363 WeakPolarHBondContact O-CG1 3.33Å; S359-I363 PolarHBondContact O-N 3.49Å; T360-I363 PolarHBondContact O-N 2.83Å; C361-I363 VanDerWaalsContact C-N 3.33Å; C361-I363 PolarHBondContact O-N 3.26Å; I363-V365 PolarHBondContact O-N 2.88Å; I363-S366 WeakPolarHBondContact CA-OG 3.22Å; I363-S366 PolarHBondContact O-N 2.87Å; I363-S366 PolarHBondContact O-OG 2.82Å; I363-S366 VanDerWaalsContact O-OG 3.09Å; I363-S367 WeakPolarHBondContact O-CB 3.21Å; I363-S367 PolarHBondContact O-N 3.13Å; I363-S367 PolarHBondContact O-OG 3.47Å |
| 364 | F | 76.9 | Confident | 69.8 | Low | 149 Ų | 149 | 91.7 Ų | 91.7 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 179.3 | -174.3 | -95.2 | 0 | 0 | 0 | 111.5 | T360 C361 F368 | T360-F364 WeakPolarHBondContact O-CB 3.44Å; T360-F364 PolarHBondContact O-N 3.29Å; C361-F364 PolarHBondContact O-N 2.81Å; F364-F368 VanDerWaalsContact O-CB 3.23Å; F364-F368 WeakPolarHBondContact O-CB 2.89Å; F364-F368 PolarHBondContact O-N 2.88Å |
| 365 | V | 72.4 | Confident | 69.2 | Low | 76 Ų | 76 | 92.4 Ų | 92.4 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -51.2 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | C361 I363 S367 F368 F369 | C361-V365 WeakPolarHBondContact O-CB 3.28Å; C361-V365 WeakPolarHBondContact O-CG2 3.45Å; C361-V365 PolarHBondContact O-N 3.45Å; I363-V365 PolarHBondContact O-N 2.88Å; V365-S367 PolarHBondContact O-N 3.14Å; V365-F368 WeakPolarHBondContact O-CB 3.44Å; V365-F368 PolarHBondContact O-N 3.43Å; V365-F369 HydrophobicContact CG1-CD2 3.68Å; V365-F369 HydrophobicContact CG1-CE2 3.66Å; V365-F369 WeakPolarHBondContact O-CD2 3.33Å; V365-F369 PolarHBondContact O-N 3.48Å |
| 366 | S | 69 | Low | 68 | Low | 56 Ų | 56 | 97.3 Ų | 97.3 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | -179.8 | 68.7 | 0 | 0 | 0 | 0 | 112.5 | R362 I363 F369 V370 | R362-S366 VanDerWaalsContact O-CB 3.27Å; R362-S366 WeakPolarHBondContact O-CB 3.3Å; R362-S366 PolarHBondContact O-N 3.25Å; R362-S366 PolarHBondContact O-OG 3.49Å; R362-S366 VanDerWaalsContact O-OG 3.05Å; I363-S366 WeakPolarHBondContact CA-OG 3.22Å; I363-S366 PolarHBondContact O-N 2.87Å; I363-S366 PolarHBondContact O-OG 2.82Å; I363-S366 VanDerWaalsContact O-OG 3.09Å; S366-F369 CarbonylContact O-C 3.55Å; S366-F369 PolarHBondContact O-N 2.83Å; S366-V370 VanDerWaalsContact O-CB 3.28Å; S366-V370 WeakPolarHBondContact O-CB 2.97Å; S366-V370 WeakPolarHBondContact O-CG2 3.42Å; S366-V370 PolarHBondContact O-N 3.11Å |
| 367 | S | 69.2 | Low | 66.4 | Low | 64 Ų | 64 | 102.9 Ų | 102.9 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 173.8 | -69.5 | 0 | 0 | 0 | 0 | 112 | I363 V365 V370 S371 | I363-S367 WeakPolarHBondContact O-CB 3.21Å; I363-S367 PolarHBondContact O-N 3.13Å; I363-S367 PolarHBondContact O-OG 3.47Å; V365-S367 PolarHBondContact O-N 3.14Å; S367-V370 PolarHBondContact O-N 3.44Å; S367-S371 WeakPolarHBondContact O-CB 3.29Å; S367-S371 PolarHBondContact O-N 3Å |
| 368 | F | 66.4 | Low | 65.2 | Low | 49 Ų | 49 | 104 Ų | 104 | 22% | 0.215 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 172.7 | -176.4 | -90.8 | 0 | 0 | 0 | 110.6 | R222 L226 F364 V365 S371 L372 | R222-F368 HydrophobicContact CG-CZ 4.14Å; L226-F368 HydrophobicContact CD1-CD1 4.46Å; L226-F368 HydrophobicContact CD1-CE1 3.83Å; L226-F368 HydrophobicContact CD1-CZ 3.93Å; F364-F368 VanDerWaalsContact O-CB 3.23Å; F364-F368 WeakPolarHBondContact O-CB 2.89Å; F364-F368 PolarHBondContact O-N 2.88Å; V365-F368 WeakPolarHBondContact O-CB 3.44Å; V365-F368 PolarHBondContact O-N 3.43Å; F368-S371 PolarHBondContact O-N 3.45Å; F368-L372 WeakPolarHBondContact O-CG 3.2Å; F368-L372 PolarHBondContact O-N 3.32Å |
| 369 | F | 61.3 | Low | 63.8 | Low | 110 Ų | 110 | 101.4 Ų | 101.4 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.9 | -32.5 | 177.4 | -77.9 | -77.2 | 0 | 0 | 0 | 113.5 | V365 S366 L372 | V365-F369 HydrophobicContact CG1-CD2 3.68Å; V365-F369 HydrophobicContact CG1-CE2 3.66Å; V365-F369 WeakPolarHBondContact O-CD2 3.33Å; V365-F369 PolarHBondContact O-N 3.48Å; S366-F369 CarbonylContact O-C 3.55Å; S366-F369 PolarHBondContact O-N 2.83Å; F369-L372 HydrophobicContact CB-CD1 4.45Å; F369-L372 HydrophobicContact CD1-CD1 3.45Å; F369-L372 VanDerWaalsContact CD1-CD1 3.45Å; F369-L372 HydrophobicContact CE1-CD1 3.95Å; F369-L372 HydrophobicContact CG-CD1 4.21Å; F369-L372 VanDerWaalsContact O-CB 3.22Å; F369-L372 WeakPolarHBondContact O-CB 3.4Å; F369-L372 PolarHBondContact O-N 2.9Å; F369-L372 VanDerWaalsContact O-N 3.1Å |
| 370 | V | 64.3 | Low | 62.7 | Low | 56 Ų | 56 | 104.5 Ų | 104.5 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.4 | -36.8 | 173.2 | 162.6 | 0 | 0 | 0 | 0 | 110.6 | Y145 S366 S367 L372 L373 | Y145-V370 HydrophobicContact CE2-CG1 4.37Å; Y145-V370 WeakPolarHBondContact OH-CG1 3.27Å; Y145-V370 WeakPolarHBondContact OH-CG2 3.14Å; S366-V370 VanDerWaalsContact O-CB 3.28Å; S366-V370 WeakPolarHBondContact O-CB 2.97Å; S366-V370 WeakPolarHBondContact O-CG2 3.42Å; S366-V370 PolarHBondContact O-N 3.11Å; S367-V370 PolarHBondContact O-N 3.44Å; V370-L372 PolarHBondContact O-N 3.28Å; V370-L373 WeakPolarHBondContact O-CB 3.5Å; V370-L373 VanDerWaalsContact O-CD1 3.29Å; V370-L373 WeakPolarHBondContact O-CD1 3.32Å; V370-L373 PolarHBondContact O-N 3.45Å |
| 371 | S | 61.7 | Low | 61.4 | Low | 76 Ų | 76 | 111.4 Ų | 111.4 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -11.4 | 170.7 | 177.4 | 0 | 0 | 0 | 0 | 112.9 | S367 F368 L373 | S367-S371 WeakPolarHBondContact O-CB 3.29Å; S367-S371 PolarHBondContact O-N 3Å; F368-S371 PolarHBondContact O-N 3.45Å; S371-L373 VanDerWaalsContact C-N 3.26Å |
| 372 | L | 54.6 | Low | 60 | Low | 29 Ų | 29 | 117.7 Ų | 117.7 | 15% | 0.152 | 60% | 0.597 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.6 | -7.2 | 169.6 | -59.1 | 170.6 | 0 | 0 | 0 | 112.4 | F368 F369 V370 | F368-L372 WeakPolarHBondContact O-CG 3.2Å; F368-L372 PolarHBondContact O-N 3.32Å; F369-L372 HydrophobicContact CB-CD1 4.45Å; F369-L372 HydrophobicContact CD1-CD1 3.45Å; F369-L372 VanDerWaalsContact CD1-CD1 3.45Å; F369-L372 HydrophobicContact CE1-CD1 3.95Å; F369-L372 HydrophobicContact CG-CD1 4.21Å; F369-L372 VanDerWaalsContact O-CB 3.22Å; F369-L372 WeakPolarHBondContact O-CB 3.4Å; F369-L372 PolarHBondContact O-N 2.9Å; F369-L372 VanDerWaalsContact O-N 3.1Å; V370-L372 PolarHBondContact O-N 3.28Å |
| 373 | L | 61.3 | Low | 59.2 | Low | 115 Ų | 115 | 114.7 Ų | 114.7 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -84.6 | 122.2 | 167.7 | -67.4 | 107 | 0 | 0 | 0 | 109.6 | V370 S371 H375 | V370-L373 WeakPolarHBondContact O-CB 3.5Å; V370-L373 VanDerWaalsContact O-CD1 3.29Å; V370-L373 WeakPolarHBondContact O-CD1 3.32Å; V370-L373 PolarHBondContact O-N 3.45Å; S371-L373 VanDerWaalsContact C-N 3.26Å; L373-H375 PolarHBondContact O-N 3.39Å |
| 374 | P | 50.6 | Low | 58 | Low | 111 Ų | 111 | 121.6 Ų | 121.6 | 72% | 0.721 | 64% | 0.638 | S | S | * | * | trans | -64 | 124.3 | 170.9 | 24.6 | -30.3 | 0 | 0 | 0 | 109.7 | R376 | P374-R376 PolarHBondContact O-N 2.85Š| ||
| 375 | H | 52.5 | Low | 57.1 | Low | 183 Ų | 183 | 120.3 Ų | 120.3 | 85% | 0.847 | 64% | 0.637 | S | S | * | * | trans | -61.9 | 103.5 | 163.8 | -92.6 | 34.9 | 0 | 0 | 0 | 108.2 | L373 Q377 | L373-H375 PolarHBondContact O-N 3.39Å; H375-Q377 PolarHBondContact O-N 3.08Å | ||
| 376 | R | 47.9 | Very low | 56.3 | Low | 189 Ų | 189 | 122.6 Ų | 122.6 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | trans | -62.6 | 105.7 | 169.3 | -124.4 | -171.1 | -172.1 | -137.8 | -2.9 | 107.2 | D207 P374 V378 | D207-R376 VanDerWaalsContact CG-NH2 3.28Å; D207-R376 IonicContact OD1-NH2 2.81Å; D207-R376 IonicContact OD2-CZ 3.18Å; D207-R376 IonicContact OD2-NH1 2.65Å; D207-R376 PolarHBondContact OD2-NH1 3.08Å; D207-R376 IonicContact OD2-NH2 3.74Å; D207-R376 PolarHBondContact OD2-NH2 2.99Å; P374-R376 PolarHBondContact O-N 2.85Å; R376-V378 PolarHBondContact O-N 2.99Å | ||
| 377 | Q | 44.4 | Very low | 55.5 | Low | 183 Ų | 183 | 126.3 Ų | 126.3 | 86% | 0.855 | 66% | 0.661 | S | S | * | * | trans | -69.8 | 114.3 | 167.5 | -63.6 | -151.9 | -37.1 | 0 | 0 | 107.6 | H375 A379 | H375-Q377 PolarHBondContact O-N 3.08Å; Q377-A379 PolarHBondContact O-N 3.02Å | ||
| 378 | V | 49.3 | Very low | 54.7 | Low | 133 Ų | 133 | 129.9 Ų | 129.9 | 81% | 0.806 | 67% | 0.673 | S | S | * | * | trans | -67.3 | 105.6 | 170.7 | 176.2 | 0 | 0 | 0 | 0 | 106.9 | R376 V380 | R376-V378 PolarHBondContact O-N 2.99Å; V378-V380 PolarHBondContact O-N 3.42Å; V378-V380 VanDerWaalsContact O-N 3.11Å | ||
| 379 | A | 49.5 | Very low | 54 | Low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | trans | -66.1 | 105.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q377 R381 | Q377-A379 PolarHBondContact O-N 3.02Å; A379-R381 PolarHBondContact O-N 3.09Å | ||
| 380 | V | 52.9 | Low | 53.5 | Low | 127 Ų | 127 | 136.7 Ų | 136.7 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -68.3 | 99.7 | 163.8 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | V378 Q382 | V378-V380 PolarHBondContact O-N 3.42Å; V378-V380 VanDerWaalsContact O-N 3.11Å; V380-Q382 PolarHBondContact O-N 3.43Å | ||
| 381 | R | 49.7 | Very low | 52.8 | Low | 228 Ų | 228 | 142.4 Ų | 142.4 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -67 | 109.7 | 163.5 | -94.1 | -170 | 177.5 | 160 | 1.5 | 107.6 | A379 V383 | A379-R381 PolarHBondContact O-N 3.09Å; R381-V383 PolarHBondContact O-N 2.84Å | ||
| 382 | Q | 49.1 | Very low | 52.1 | Low | 178 Ų | 178 | 147.5 Ų | 147.5 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -60.9 | 127.8 | 154.2 | -78.6 | -159.7 | -85.6 | 0 | 0 | 108.2 | V380 | V380-Q382 PolarHBondContact O-N 3.43Š| ||
| 383 | V | 60.1 | Low | 51.9 | Low | 131 Ų | 131 | 157.4 Ų | 157.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -108.4 | 112.9 | 163.8 | 177.4 | 0 | 0 | 0 | 0 | 105.1 | R381 | R381-V383 PolarHBondContact O-N 2.84Š| ||
| 384 | D | 55.2 | Low | 51 | Low | 222 Ų | 222 | 161.3 Ų | 161.3 | 100% | 1.187 | 83% | 0.829 | S | S | * | * | trans | -67.6 | 0 | 158.8 | -92.1 | -59.8 | 0 | 0 | 0 | 110.8 |
Retrieved 384 of 384 residues in 79 ms
(Link to these results)