| 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 | 67.3 | Low | 89.2 | Confident | 238 Ų | 238 | 97.9 Ų | 97.9 | 100% | 1.172 | 56% | 0.555 | S | S | * | * | 0 | 143.7 | 0 | -71 | 160.5 | 167.1 | 0 | 0 | 107.9 | |||||
| 2 | A | 70.3 | Confident | 89.7 | Confident | 107 Ų | 107 | 96.1 Ų | 96.1 | 88% | 0.884 | 54% | 0.542 | S | S | * | . | trans | -84.6 | 114.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | T | 86.4 | Confident | 90.1 | Very high | 131 Ų | 131 | 93.5 Ų | 93.5 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 124.4 | 175.6 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 4 | V | 91.3 | Very high | 90.4 | Very high | 105 Ų | 105 | 96.7 Ų | 96.7 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 131.4 | 171 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | P13 | V4-P13 HydrophobicContact CG1-CB 3.87Š|
| 5 | P | 93.3 | Very high | 90.7 | Very high | 77 Ų | 77 | 92.7 Ų | 92.7 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 137.6 | 177.8 | 28.2 | -35 | 0 | 0 | 0 | 110.4 | Y7 | P5-Y7 HydrophobicContact CB-CE2 4.02Å; P5-Y7 HydrophobicContact CG-CE2 4.13Å |
| 6 | V | 95.7 | Very high | 90.8 | Very high | 74 Ų | 74 | 94.6 Ų | 94.6 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.1 | 179.2 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | R11 L12 | V6-R11 HydrophobicContact CB-CB 4.49Å; V6-R11 WeakPolarHBondContact CG1-O 3.4Å; V6-R11 HydrophobicContact CG2-CB 4.38Å; V6-L12 WeakPolarHBondContact CA-O 3.42Å |
| 7 | Y | 95.9 | Very high | 91 | Very high | 68 Ų | 68 | 96.3 Ų | 96.3 | 27% | 0.267 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 169.9 | -169.2 | -56.9 | -81.2 | 0 | 0 | 0 | 110.8 | P5 R11 L12 W29 | P5-Y7 HydrophobicContact CB-CE2 4.02Å; P5-Y7 HydrophobicContact CG-CE2 4.13Å; Y7-R11 VanDerWaalsContact O-CA 3.28Å; Y7-R11 WeakPolarHBondContact O-CA 3.21Å; Y7-R11 PolarHBondContact O-N 3.15Å; Y7-L12 PolarHBondContact N-O 2.83Å; Y7-L12 PolarHBondContact O-N 2.91Å; Y7-W29 HydrophobicContact CD1-CB 4.1Å; Y7-W29 HydrophobicContact CG-CB 4.44Å |
| 8 | C | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 97.9 Ų | 97.9 | 0% | 0 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 174.1 | 173.5 | -166.3 | 0 | 0 | 0 | 0 | 113.8 | C10 R11 M20 D28 W29 F30 H31 C34 | C8-C10 PolarHBondContact O-N 3.22Å; C8-R11 WeakPolarHBondContact O-CD 3.15Å; C8-R11 PolarHBondContact O-N 3.41Å; C8-R11 PolarHBondContact O-NH1 3.49Å; C8-M20 HydrophobicContact CB-CE 4.47Å; C8-D28 PolarHBondContact N-OD1 3.33Å; C8-W29 WeakPolarHBondContact CA-O 3.44Å; C8-W29 WeakPolarHBondContact CB-O 3.38Å; C8-W29 PolarHBondContact N-O 3.12Å; C8-F30 HydrophobicContact CB-CD1 4.45Å; C8-H31 PolarHBondContact SG-N 3.13Å; C8-H31 VanDerWaalsContact SG-N 3.39Å; C8-C34 VanDerWaalsContact SG-CB 3.57Å |
| 9 | V | 94.8 | Very high | 91.5 | Very high | 84 Ų | 84 | 95.8 Ų | 95.8 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.7 | 174.6 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | F30 C34 | V9-F30 HydrophobicContact CG1-CD1 4.33Å; V9-F30 HydrophobicContact CG1-CE1 4.02Å; V9-C34 HydrophobicContact CG2-CB 4.06Å |
| 10 | C | 95.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 91.9 Ų | 91.9 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -7.6 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | C8 L12 H31 | C8-C10 PolarHBondContact O-N 3.22Å; C10-L12 VanDerWaalsContact C-N 3.25Å; C10-L12 HydrophobicContact CB-CD1 4.4Å; C10-L12 HydrophobicContact CB-CG 4.34Å; C10-L12 PolarHBondContact O-N 3.32Å; C10-H31 VanDerWaalsContact SG-CE1 3.59Å; C10-H31 PolarHBondContact SG-ND1 3.47Å; C10-H31 VanDerWaalsContact SG-ND1 3.36Å |
| 11 | R | 94.9 | Very high | 92 | Very high | 140 Ų | 140 | 88.3 Ų | 88.3 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 42 | 178.1 | -58.1 | -58.5 | -178.9 | -154.2 | 5.5 | 114 | V6 Y7 C8 D28 | V6-R11 HydrophobicContact CB-CB 4.49Å; V6-R11 WeakPolarHBondContact CG1-O 3.4Å; V6-R11 HydrophobicContact CG2-CB 4.38Å; Y7-R11 VanDerWaalsContact O-CA 3.28Å; Y7-R11 WeakPolarHBondContact O-CA 3.21Å; Y7-R11 PolarHBondContact O-N 3.15Å; C8-R11 WeakPolarHBondContact O-CD 3.15Å; C8-R11 PolarHBondContact O-N 3.41Å; C8-R11 PolarHBondContact O-NH1 3.49Å; R11-D28 IonicContact CZ-OD2 2.85Å; R11-D28 IonicContact NH1-OD2 3.39Å; R11-D28 PolarHBondContact NH1-OD2 3.17Å; R11-D28 IonicContact NH2-OD2 2.65Å |
| 12 | L | 94.3 | Very high | 93.4 | Very high | 76 Ų | 76 | 80.7 Ų | 80.7 | 40% | 0.398 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 155.6 | 172.2 | -68.6 | 176.5 | 0 | 0 | 0 | 111 | V6 Y7 C10 | V6-L12 WeakPolarHBondContact CA-O 3.42Å; Y7-L12 PolarHBondContact N-O 2.83Å; Y7-L12 PolarHBondContact O-N 2.91Å; C10-L12 VanDerWaalsContact C-N 3.25Å; C10-L12 HydrophobicContact CB-CD1 4.4Å; C10-L12 HydrophobicContact CB-CG 4.34Å; C10-L12 PolarHBondContact O-N 3.32Å |
| 13 | P | 95 | Very high | 94.7 | Very high | 63 Ų | 63 | 75.6 Ų | 75.6 | 41% | 0.409 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 164 | 168.5 | 31.2 | -36.9 | 0 | 0 | 0 | 111.2 | V4 | V4-P13 HydrophobicContact CG1-CB 3.87Å |
| 14 | Y | 94.4 | Very high | 95.2 | Very high | 138 Ų | 138 | 73.3 Ų | 73.3 | 54% | 0.541 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 136.6 | 177.2 | 176.1 | -110.4 | 0 | 0 | 0 | 112.3 | V16 M20 | Y14-V16 HydrophobicContact CE1-CG2 3.87Å; Y14-M20 HydrophobicContact CD2-SD 3.63Å; Y14-M20 HydrophobicContact CE2-SD 3.95Å |
| 15 | D | 94.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 70.2 Ų | 70.2 | 20% | 0.198 | 37% | 0.366 | C | S | . | . | trans | -130.4 | 118 | -177.2 | -178.7 | -8.2 | 0 | 0 | 0 | 110.2 | T17 R18 | D15-T17 VanDerWaalsContact CG-OG1 3.28Å; D15-T17 PolarHBondContact O-N 3.18Å; D15-T17 WeakPolarHBondContact OD1-CB 3.31Å; D15-T17 PolarHBondContact OD1-N 3.47Å; D15-T17 PolarHBondContact OD1-OG1 3.49Å; D15-T17 PolarHBondContact OD2-OG1 3.35Å; D15-R18 HydrophobicContact CB-CB 4.49Å; D15-R18 HydrophobicContact CB-CG 4.46Å; D15-R18 PolarHBondContact O-N 2.95Å; D15-R18 WeakPolarHBondContact OD2-CD 3.26Å; D15-R18 IonicContact OD2-CZ 3.6Å; D15-R18 IonicContact OD2-NE 3.54Å; D15-R18 IonicContact OD2-NH1 2.62Å; D15-R18 PolarHBondContact OD2-NH1 3.27Å | ||
| 16 | V | 92.6 | Very high | 95.6 | Very high | 122 Ų | 122 | 69.4 Ų | 69.4 | 74% | 0.739 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.7 | -177.9 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | Y14 R18 | Y14-V16 HydrophobicContact CE1-CG2 3.87Å; V16-R18 VanDerWaalsContact C-N 3.34Å |
| 17 | T | 95.1 | Very high | 95.7 | Very high | 124 Ų | 124 | 71.3 Ų | 71.3 | 76% | 0.761 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.9 | -177.7 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | D15 | D15-T17 VanDerWaalsContact CG-OG1 3.28Å; D15-T17 PolarHBondContact O-N 3.18Å; D15-T17 WeakPolarHBondContact OD1-CB 3.31Å; D15-T17 PolarHBondContact OD1-N 3.47Å; D15-T17 PolarHBondContact OD1-OG1 3.49Å; D15-T17 PolarHBondContact OD2-OG1 3.35Å |
| 18 | R | 94.3 | Very high | 95.7 | Very high | 125 Ų | 125 | 69.6 Ų | 69.6 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -116.9 | 126.8 | -175.6 | -67.5 | 178.8 | 167.7 | 123.4 | -7.5 | 110.4 | D15 V16 M20 | D15-R18 HydrophobicContact CB-CB 4.49Å; D15-R18 HydrophobicContact CB-CG 4.46Å; D15-R18 PolarHBondContact O-N 2.95Å; D15-R18 WeakPolarHBondContact OD2-CD 3.26Å; D15-R18 IonicContact OD2-CZ 3.6Å; D15-R18 IonicContact OD2-NE 3.54Å; D15-R18 IonicContact OD2-NH1 2.62Å; D15-R18 PolarHBondContact OD2-NH1 3.27Å; V16-R18 VanDerWaalsContact C-N 3.34Å; R18-M20 PolarHBondContact O-N 2.6Å |
| 19 | F | 95.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 74.3 Ų | 74.3 | 25% | 0.254 | 38% | 0.377 | S | S | . | . | trans | -57.8 | 131.9 | 169.9 | 168.3 | -107.5 | 0 | 0 | 0 | 110.8 | I21 H31 G32 V37 E39 A42 | F19-I21 HydrophobicContact CE1-CB 4.35Å; F19-I21 HydrophobicContact CZ-CB 3.9Å; F19-H31 WeakPolarHBondContact O-CA 3.41Å; F19-G32 PolarHBondContact O-N 3.25Å; F19-V37 HydrophobicContact CE1-CG1 4.09Å; F19-E39 HydrophobicContact CB-CB 4.25Å; F19-E39 HydrophobicContact CB-CG 4.26Å; F19-E39 HydrophobicContact CD1-CB 4.37Å; F19-E39 HydrophobicContact CD2-CG 4.12Å; F19-E39 HydrophobicContact CG-CB 4.09Å; F19-E39 HydrophobicContact CG-CG 4.11Å; F19-A42 HydrophobicContact CE1-CB 3.87Å; F19-A42 HydrophobicContact CE2-CB 3.76Å; F19-A42 HydrophobicContact CZ-CB 3.23Å | ||
| 20 | M | 96.8 | Very high | 95.9 | Very high | 17 Ų | 17 | 70.7 Ų | 70.7 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.5 | 177.5 | -59.4 | -169.6 | 80.3 | 0 | 0 | 111.9 | C8 Y14 R18 W29 F30 | C8-M20 HydrophobicContact CB-CE 4.47Å; Y14-M20 HydrophobicContact CD2-SD 3.63Å; Y14-M20 HydrophobicContact CE2-SD 3.95Å; R18-M20 PolarHBondContact O-N 2.6Å; M20-W29 HydrophobicContact CB-CE3 3.88Å; M20-W29 HydrophobicContact CB-CZ3 4.46Å; M20-W29 HydrophobicContact CE-CB 3.9Å; M20-F30 CarbonylContact C-O 3.4Å; M20-F30 WeakPolarHBondContact CA-O 3.29Å |
| 21 | I | 97.1 | Very high | 96 | Very high | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.092 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.9 | 179.5 | -167.7 | 163.9 | 0 | 0 | 0 | 111.2 | F19 F30 V37 I45 Y48 | F19-I21 HydrophobicContact CE1-CB 4.35Å; F19-I21 HydrophobicContact CZ-CB 3.9Å; I21-F30 HydrophobicContact CG2-CB 4.41Å; I21-F30 PolarHBondContact N-O 2.77Å; I21-F30 PolarHBondContact O-N 2.98Å; I21-V37 HydrophobicContact CD1-CG1 4.34Å; I21-I45 HydrophobicContact CD1-CD1 3.99Å; I21-Y48 HydrophobicContact CB-CD1 4.42Å; I21-Y48 HydrophobicContact CD1-CD1 4.28Å; I21-Y48 HydrophobicContact CD1-CD2 3.98Å; I21-Y48 HydrophobicContact CD1-CG 3.7Å; I21-Y48 HydrophobicContact CG1-CD1 3.98Å; I21-Y48 HydrophobicContact CG1-CG 3.88Å; I21-Y48 HydrophobicContact CG2-CD1 3.73Å; I21-Y48 HydrophobicContact CG2-CD2 4.5Å; I21-Y48 HydrophobicContact CG2-CE1 3.71Å; I21-Y48 HydrophobicContact CG2-CE2 4.48Å; I21-Y48 HydrophobicContact CG2-CG 4.16Å |
| 22 | E | 97.2 | Very high | 96 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 133.8 | 176.7 | -170.6 | -176.7 | 140.5 | 0 | 0 | 110.7 | K27 W29 | E22-K27 VanDerWaalsContact OE1-CD 3.25Å; E22-K27 WeakPolarHBondContact OE1-CD 3.36Å; E22-K27 IonicContact OE1-NZ 3.88Å; E22-W29 HydrophobicContact CB-CD2 4.13Å; E22-W29 HydrophobicContact CB-CH2 4.38Å; E22-W29 HydrophobicContact CB-CZ2 3.9Å; E22-W29 HydrophobicContact CG-CZ2 4.36Å; E22-W29 WeakPolarHBondContact OE2-CZ2 3.33Å; E22-W29 PolarHBondContact OE2-NE1 2.83Å |
| 23 | C | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -86.7 | 123.4 | 173.3 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | A25 C26 K27 D28 F30 Y48 C50 | C23-A25 VanDerWaalsContact C-N 3.33Å; C23-A25 PolarHBondContact O-N 3.33Å; C23-C26 VanDerWaalsContact CB-SG 3.58Å; C23-C26 PolarHBondContact O-N 3.03Å; C23-K27 VanDerWaalsContact O-CA 3.32Å; C23-K27 WeakPolarHBondContact O-CA 3.27Å; C23-K27 PolarHBondContact O-N 3.46Å; C23-D28 PolarHBondContact N-O 3Å; C23-F30 HydrophobicContact CB-CD2 4.07Å; C23-F30 HydrophobicContact CB-CE2 3.66Å; C23-Y48 CarbonylContact C-O 3.51Å; C23-Y48 WeakPolarHBondContact CA-O 3.45Å; C23-Y48 HydrophobicContact CB-CD1 4.06Å; C23-Y48 HydrophobicContact CB-CE1 4.27Å; C23-C50 HydrophobicContact CB-CB 4.17Å; C23-C50 PolarHBondContact SG-N 3.42Å | ||
| 24 | D | 97.5 | Very high | 96.1 | Very high | 83 Ų | 83 | 62.9 Ų | 62.9 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -38 | -174.1 | -171.7 | 58.1 | 0 | 0 | 0 | 113.2 | K27 I47 Y48 | D24-K27 WeakPolarHBondContact O-CD 3.37Å; D24-K27 WeakPolarHBondContact O-CE 2.96Å; D24-K27 PolarHBondContact O-NZ 2.85Å; D24-K27 IonicContact OD1-NZ 3.8Å; D24-K27 PolarHBondContact OD1-NZ 3.42Å; D24-I47 HydrophobicContact CB-CG2 3.54Å; D24-Y48 PolarHBondContact N-O 2.97Å |
| 25 | A | 96.6 | Very high | 96.1 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -41.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | C23 C53 H57 | C23-A25 VanDerWaalsContact C-N 3.33Å; C23-A25 PolarHBondContact O-N 3.33Å; A25-C53 HydrophobicContact CB-CB 3.73Å; A25-H57 WeakPolarHBondContact CB-CD2 3.38Å |
| 26 | C | 96.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -9 | -174.8 | 67.2 | 0 | 0 | 0 | 0 | 115.1 | C23 D28 | C23-C26 VanDerWaalsContact CB-SG 3.58Å; C23-C26 PolarHBondContact O-N 3.03Å; C26-D28 PolarHBondContact O-N 3.21Å; C26-D28 VanDerWaalsContact O-N 3.09Å |
| 27 | K | 96.7 | Very high | 96.2 | Very high | 114 Ų | 114 | 54.4 Ų | 54.4 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | trans | 57.8 | 16.8 | -179.8 | -49.9 | -58.9 | -174.5 | -173.3 | 0 | 115.1 | E22 C23 D24 | E22-K27 VanDerWaalsContact OE1-CD 3.25Å; E22-K27 WeakPolarHBondContact OE1-CD 3.36Å; E22-K27 IonicContact OE1-NZ 3.88Å; C23-K27 VanDerWaalsContact O-CA 3.32Å; C23-K27 WeakPolarHBondContact O-CA 3.27Å; C23-K27 PolarHBondContact O-N 3.46Å; D24-K27 WeakPolarHBondContact O-CD 3.37Å; D24-K27 WeakPolarHBondContact O-CE 2.96Å; D24-K27 PolarHBondContact O-NZ 2.85Å; D24-K27 IonicContact OD1-NZ 3.8Å; D24-K27 PolarHBondContact OD1-NZ 3.42Å | ||
| 28 | D | 96.8 | Very high | 96.2 | Very high | 32 Ų | 32 | 55.5 Ų | 55.5 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | trans | -85.9 | 154.2 | 168.3 | -163.4 | -6.1 | 0 | 0 | 0 | 109.6 | C8 R11 C23 C26 F30 | C8-D28 PolarHBondContact N-OD1 3.33Å; R11-D28 IonicContact CZ-OD2 2.85Å; R11-D28 IonicContact NH1-OD2 3.39Å; R11-D28 PolarHBondContact NH1-OD2 3.17Å; R11-D28 IonicContact NH2-OD2 2.65Å; C23-D28 PolarHBondContact N-O 3Å; C26-D28 PolarHBondContact O-N 3.21Å; C26-D28 VanDerWaalsContact O-N 3.09Å; D28-F30 HydrophobicContact CB-CE2 3.84Å; D28-F30 HydrophobicContact CB-CZ 3.98Å; D28-F30 WeakPolarHBondContact O-CD2 3.25Å; D28-F30 VanDerWaalsContact O-CE2 3.29Å; D28-F30 WeakPolarHBondContact O-CE2 3.34Å | ||
| 29 | W | 97 | Very high | 96.2 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 38% | 0.375 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133 | -174.7 | -78.7 | 68.6 | 0 | 0 | 0 | 110.4 | Y7 C8 M20 E22 | Y7-W29 HydrophobicContact CD1-CB 4.1Å; Y7-W29 HydrophobicContact CG-CB 4.44Å; C8-W29 WeakPolarHBondContact CA-O 3.44Å; C8-W29 WeakPolarHBondContact CB-O 3.38Å; C8-W29 PolarHBondContact N-O 3.12Å; M20-W29 HydrophobicContact CB-CE3 3.88Å; M20-W29 HydrophobicContact CB-CZ3 4.46Å; M20-W29 HydrophobicContact CE-CB 3.9Å; E22-W29 HydrophobicContact CB-CD2 4.13Å; E22-W29 HydrophobicContact CB-CH2 4.38Å; E22-W29 HydrophobicContact CB-CZ2 3.9Å; E22-W29 HydrophobicContact CG-CZ2 4.36Å; E22-W29 WeakPolarHBondContact OE2-CZ2 3.33Å; E22-W29 PolarHBondContact OE2-NE1 2.83Å |
| 30 | F | 97.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.9 | -173.6 | -62.6 | -93.8 | 0 | 0 | 0 | 111 | C8 V9 M20 I21 C23 D28 G32 V35 Y48 C50 | C8-F30 HydrophobicContact CB-CD1 4.45Å; V9-F30 HydrophobicContact CG1-CD1 4.33Å; V9-F30 HydrophobicContact CG1-CE1 4.02Å; M20-F30 CarbonylContact C-O 3.4Å; M20-F30 WeakPolarHBondContact CA-O 3.29Å; I21-F30 HydrophobicContact CG2-CB 4.41Å; I21-F30 PolarHBondContact N-O 2.77Å; I21-F30 PolarHBondContact O-N 2.98Å; C23-F30 HydrophobicContact CB-CD2 4.07Å; C23-F30 HydrophobicContact CB-CE2 3.66Å; D28-F30 HydrophobicContact CB-CE2 3.84Å; D28-F30 HydrophobicContact CB-CZ 3.98Å; D28-F30 WeakPolarHBondContact O-CD2 3.25Å; D28-F30 VanDerWaalsContact O-CE2 3.29Å; D28-F30 WeakPolarHBondContact O-CE2 3.34Å; F30-G32 PolarHBondContact O-N 3.42Å; F30-V35 HydrophobicContact CB-CG1 3.81Å; F30-V35 HydrophobicContact CB-CG2 4.26Å; F30-V35 HydrophobicContact CD1-CG1 3.89Å; F30-V35 HydrophobicContact CG-CG1 4.12Å; F30-Y48 HydrophobicContact CD2-CE1 4.17Å; F30-C50 HydrophobicContact CD1-CB 4.29Å; F30-C50 HydrophobicContact CD2-CB 4.03Å; F30-C50 HydrophobicContact CE1-CB 3.92Å; F30-C50 HydrophobicContact CE2-CB 3.65Å; F30-C50 HydrophobicContact CG-CB 4.36Å; F30-C50 HydrophobicContact CZ-CB 3.6Å |
| 31 | H | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 131.8 | 168.4 | -55 | 108.2 | 0 | 0 | 0 | 109.4 | C8 C10 F19 S33 C34 V35 | C8-H31 PolarHBondContact SG-N 3.13Å; C8-H31 VanDerWaalsContact SG-N 3.39Å; C10-H31 VanDerWaalsContact SG-CE1 3.59Å; C10-H31 PolarHBondContact SG-ND1 3.47Å; C10-H31 VanDerWaalsContact SG-ND1 3.36Å; F19-H31 WeakPolarHBondContact O-CA 3.41Å; H31-S33 VanDerWaalsContact C-N 3.27Å; H31-S33 PolarHBondContact O-N 3.4Å; H31-C34 HydrophobicContact CB-CB 4.19Å; H31-C34 WeakPolarHBondContact O-CB 3.49Å; H31-C34 PolarHBondContact O-N 3.45Å; H31-V35 PolarHBondContact O-N 3.03Å |
| 32 | G | 95.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.1 | -44 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F19 F30 C34 V35 G36 V37 | F19-G32 PolarHBondContact O-N 3.25Å; F30-G32 PolarHBondContact O-N 3.42Å; G32-C34 PolarHBondContact O-N 3.27Å; G32-V35 CarbonylContact O-C 3.6Å; G32-V35 WeakPolarHBondContact O-CG2 3.42Å; G32-V35 PolarHBondContact O-N 2.83Å; G32-G36 PolarHBondContact O-N 3.08Å; G32-V37 CarbonylContact C-O 3.17Å; G32-V37 WeakPolarHBondContact CA-O 3.32Å; G32-V37 PolarHBondContact O-N 3.15Å |
| 33 | S | 95.6 | Very high | 95.4 | Very high | 109 Ų | 109 | 65.6 Ų | 65.6 | 76% | 0.762 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.7 | -18.6 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | H31 | H31-S33 VanDerWaalsContact C-N 3.27Å; H31-S33 PolarHBondContact O-N 3.4Å |
| 34 | C | 95.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -87.3 | -10.5 | 173.1 | -66.6 | 0 | 0 | 0 | 0 | 113.4 | C8 V9 H31 G32 | C8-C34 VanDerWaalsContact SG-CB 3.57Å; V9-C34 HydrophobicContact CG2-CB 4.06Å; H31-C34 HydrophobicContact CB-CB 4.19Å; H31-C34 WeakPolarHBondContact O-CB 3.49Å; H31-C34 PolarHBondContact O-N 3.45Å; G32-C34 PolarHBondContact O-N 3.27Å |
| 35 | V | 94.9 | Very high | 95.1 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -129.6 | 4.3 | -176.7 | -63.3 | 0 | 0 | 0 | 0 | 114.1 | F30 H31 G32 V37 Y48 | F30-V35 HydrophobicContact CB-CG1 3.81Å; F30-V35 HydrophobicContact CB-CG2 4.26Å; F30-V35 HydrophobicContact CD1-CG1 3.89Å; F30-V35 HydrophobicContact CG-CG1 4.12Å; H31-V35 PolarHBondContact O-N 3.03Å; G32-V35 CarbonylContact O-C 3.6Å; G32-V35 WeakPolarHBondContact O-CG2 3.42Å; G32-V35 PolarHBondContact O-N 2.83Å; V35-V37 HydrophobicContact CG2-CB 4.16Å; V35-V37 HydrophobicContact CG2-CG2 3.94Å; V35-Y48 VanDerWaalsContact CB-OH 3.26Å; V35-Y48 WeakPolarHBondContact CB-OH 3.43Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.27Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.48Å |
| 36 | G | 94.6 | Very high | 95.1 | Very high | 72 Ų | 72 | 69 Ų | 69 | 74% | 0.742 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 24.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G32 | G32-G36 PolarHBondContact O-N 3.08Š|
| 37 | V | 95.3 | Very high | 95 | Very high | 18 Ų | 18 | 69.1 Ų | 69.1 | 11% | 0.109 | 38% | 0.375 | C | S | . | . | trans | -105.9 | 117.7 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | F19 I21 G32 V35 I45 Y48 | F19-V37 HydrophobicContact CE1-CG1 4.09Å; I21-V37 HydrophobicContact CD1-CG1 4.34Å; G32-V37 CarbonylContact C-O 3.17Å; G32-V37 WeakPolarHBondContact CA-O 3.32Å; G32-V37 PolarHBondContact O-N 3.15Å; V35-V37 HydrophobicContact CG2-CB 4.16Å; V35-V37 HydrophobicContact CG2-CG2 3.94Å; V37-I45 HydrophobicContact CG1-CD1 3.72Å; V37-I45 HydrophobicContact CG2-CD1 4.39Å; V37-Y48 HydrophobicContact CG2-CD2 4.42Å; V37-Y48 HydrophobicContact CG2-CE2 3.81Å | ||
| 38 | E | 94.9 | Very high | 95.1 | Very high | 148 Ų | 148 | 64.5 Ų | 64.5 | 69% | 0.692 | 36% | 0.355 | S | S | * | . | trans | -84.2 | 155.4 | 176.8 | -62.3 | -176.4 | 168 | 0 | 0 | 111.2 | E40 E41 A42 | E38-E40 PolarHBondContact O-N 2.86Å; E38-E41 PolarHBondContact O-N 2.88Å; E38-A42 PolarHBondContact O-N 3.26Å | ||
| 39 | E | 93.9 | Very high | 95.1 | Very high | 145 Ų | 145 | 64.1 Ų | 64.1 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -25.9 | -177.5 | -170.4 | 173.3 | 161 | 0 | 0 | 112.4 | F19 P43 | F19-E39 HydrophobicContact CB-CB 4.25Å; F19-E39 HydrophobicContact CB-CG 4.26Å; F19-E39 HydrophobicContact CD1-CB 4.37Å; F19-E39 HydrophobicContact CD2-CG 4.12Å; F19-E39 HydrophobicContact CG-CB 4.09Å; F19-E39 HydrophobicContact CG-CG 4.11Å; E39-P43 VanDerWaalsContact O-CD 3.3Å; E39-P43 WeakPolarHBondContact O-CD 3.26Å |
| 40 | E | 93.2 | Very high | 95.1 | Very high | 176 Ų | 176 | 59.5 Ų | 59.5 | 82% | 0.822 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -31.3 | 177.9 | -58.8 | -167.6 | -177.5 | 0 | 0 | 113.5 | E38 P43 | E38-E40 PolarHBondContact O-N 2.86Å; E40-P43 WeakPolarHBondContact O-CD 3.34Å; E40-P43 WeakPolarHBondContact O-CG 3.49Å |
| 41 | E | 91.3 | Very high | 95 | Very high | 92 Ų | 92 | 61.9 Ų | 61.9 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -33.2 | 177.9 | -176.9 | 67.9 | -171 | 0 | 0 | 111.6 | E38 P43 D44 I45 L62 | E38-E41 PolarHBondContact O-N 2.88Å; E41-P43 VanDerWaalsContact C-CD 3.45Å; E41-D44 PolarHBondContact O-N 2.93Å; E41-I45 HydrophobicContact CG-CD1 4.41Å; E41-I45 HydrophobicContact CG-CG1 4.44Å; E41-I45 PolarHBondContact O-N 2.95Å; E41-L62 VanDerWaalsContact OE1-CD2 3.27Å; E41-L62 WeakPolarHBondContact OE1-CD2 3.35Å |
| 42 | A | 92.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 67 Ų | 67 | 13% | 0.132 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -44.1 | -45.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | F19 E38 D44 I45 | F19-A42 HydrophobicContact CE1-CB 3.87Å; F19-A42 HydrophobicContact CE2-CB 3.76Å; F19-A42 HydrophobicContact CZ-CB 3.23Å; E38-A42 PolarHBondContact O-N 3.26Å; A42-D44 VanDerWaalsContact C-N 3.27Å; A42-D44 PolarHBondContact O-N 2.77Å; A42-I45 PolarHBondContact O-N 2.92Å |
| 43 | P | 93.6 | Very high | 95 | Very high | 79 Ų | 79 | 67.7 Ų | 67.7 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -68.5 | -19.2 | 179.5 | 26.6 | -37.1 | 0 | 0 | 0 | 115.4 | E39 E40 E41 K63 | E39-P43 VanDerWaalsContact O-CD 3.3Å; E39-P43 WeakPolarHBondContact O-CD 3.26Å; E40-P43 WeakPolarHBondContact O-CD 3.34Å; E40-P43 WeakPolarHBondContact O-CG 3.49Å; E41-P43 VanDerWaalsContact C-CD 3.45Å; P43-K63 PolarHBondContact O-NZ 2.88Å; P43-K63 VanDerWaalsContact O-NZ 3.08Å |
| 44 | D | 93.9 | Very high | 94.9 | Very high | 65 Ų | 65 | 67 Ų | 67 | 35% | 0.348 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -95.7 | -0 | 175.6 | -88.4 | -14.1 | 0 | 0 | 0 | 112.4 | E41 A42 L62 K63 | E41-D44 PolarHBondContact O-N 2.93Å; A42-D44 VanDerWaalsContact C-N 3.27Å; A42-D44 PolarHBondContact O-N 2.77Å; D44-L62 CarbonylContact O-C 3.53Å; D44-L62 WeakPolarHBondContact O-CA 3.28Å; D44-L62 WeakPolarHBondContact O-CD2 3.41Å; D44-K63 WeakPolarHBondContact O-CB 3.33Å; D44-K63 PolarHBondContact O-N 2.62Å |
| 45 | I | 95 | Very high | 94.9 | Very high | 22 Ų | 22 | 72 Ų | 72 | 11% | 0.113 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.8 | 164.4 | -57.8 | 172 | 0 | 0 | 0 | 109.7 | I21 V37 E41 A42 L62 | I21-I45 HydrophobicContact CD1-CD1 3.99Å; V37-I45 HydrophobicContact CG1-CD1 3.72Å; V37-I45 HydrophobicContact CG2-CD1 4.39Å; E41-I45 HydrophobicContact CG-CD1 4.41Å; E41-I45 HydrophobicContact CG-CG1 4.44Å; E41-I45 PolarHBondContact O-N 2.95Å; A42-I45 PolarHBondContact O-N 2.92Å; I45-L62 HydrophobicContact CG1-CD2 3.89Å |
| 46 | D | 95.1 | Very high | 95 | Very high | 105 Ų | 105 | 75.4 Ų | 75.4 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -39.7 | 179.2 | -146.6 | 41.6 | 0 | 0 | 0 | 111.7 | T61 K63 | D46-T61 WeakPolarHBondContact CB-O 3.35Å; D46-T61 PolarHBondContact N-O 2.83Å; D46-K63 HydrophobicContact CB-CB 3.93Å; D46-K63 HydrophobicContact CB-CG 4.47Å |
| 47 | I | 95.9 | Very high | 94.9 | Very high | 64 Ų | 64 | 77.4 Ų | 77.4 | 33% | 0.328 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 117.1 | 174.6 | -50.4 | 178 | 0 | 0 | 0 | 108 | D24 S60 T61 | D24-I47 HydrophobicContact CB-CG2 3.54Å; I47-S60 CarbonylContact O-C 3.59Å; I47-S60 VanDerWaalsContact O-CA 3.27Å; I47-S60 WeakPolarHBondContact O-CA 3.44Å; I47-S60 VanDerWaalsContact O-CB 3.26Å; I47-S60 WeakPolarHBondContact O-CB 3.43Å; I47-T61 VanDerWaalsContact CB-OG1 3.31Å; I47-T61 WeakPolarHBondContact CB-OG1 3.18Å; I47-T61 WeakPolarHBondContact CG1-OG1 3.45Å; I47-T61 PolarHBondContact N-O 3.03Å; I47-T61 PolarHBondContact O-N 3.09Å |
| 48 | Y | 97.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 78.3 Ų | 78.3 | 6% | 0.063 | 41% | 0.407 | C | S | . | . | trans | -94 | 133.9 | 176.8 | 179.2 | -109.7 | 0 | 0 | 0 | 111.7 | I21 C23 D24 F30 V35 V37 C50 | I21-Y48 HydrophobicContact CB-CD1 4.42Å; I21-Y48 HydrophobicContact CD1-CD1 4.28Å; I21-Y48 HydrophobicContact CD1-CD2 3.98Å; I21-Y48 HydrophobicContact CD1-CG 3.7Å; I21-Y48 HydrophobicContact CG1-CD1 3.98Å; I21-Y48 HydrophobicContact CG1-CG 3.88Å; I21-Y48 HydrophobicContact CG2-CD1 3.73Å; I21-Y48 HydrophobicContact CG2-CD2 4.5Å; I21-Y48 HydrophobicContact CG2-CE1 3.71Å; I21-Y48 HydrophobicContact CG2-CE2 4.48Å; I21-Y48 HydrophobicContact CG2-CG 4.16Å; C23-Y48 CarbonylContact C-O 3.51Å; C23-Y48 WeakPolarHBondContact CA-O 3.45Å; C23-Y48 HydrophobicContact CB-CD1 4.06Å; C23-Y48 HydrophobicContact CB-CE1 4.27Å; D24-Y48 PolarHBondContact N-O 2.97Å; F30-Y48 HydrophobicContact CD2-CE1 4.17Å; V35-Y48 VanDerWaalsContact CB-OH 3.26Å; V35-Y48 WeakPolarHBondContact CB-OH 3.43Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.27Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.48Å; V37-Y48 HydrophobicContact CG2-CD2 4.42Å; V37-Y48 HydrophobicContact CG2-CE2 3.81Å; Y48-C50 HydrophobicContact CE1-CB 4.04Å; Y48-C50 WeakPolarHBondContact OH-CA 3.31Å | ||
| 49 | H | 97.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 78.7 Ų | 78.7 | 11% | 0.111 | 41% | 0.406 | C | S | . | . | trans | -121.8 | 128.5 | 170.2 | -65.4 | 152.8 | 0 | 0 | 0 | 109.2 | C53 G58 | H49-C53 HydrophobicContact CB-CB 4.41Å; H49-G58 PolarHBondContact ND1-O 3.12Å | ||
| 50 | C | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | trans | -75 | 163.4 | 178.5 | 74 | 0 | 0 | 0 | 0 | 111.9 | C23 F30 Y48 N52 C53 E54 | C23-C50 HydrophobicContact CB-CB 4.17Å; C23-C50 PolarHBondContact SG-N 3.42Å; F30-C50 HydrophobicContact CD1-CB 4.29Å; F30-C50 HydrophobicContact CD2-CB 4.03Å; F30-C50 HydrophobicContact CE1-CB 3.92Å; F30-C50 HydrophobicContact CE2-CB 3.65Å; F30-C50 HydrophobicContact CG-CB 4.36Å; F30-C50 HydrophobicContact CZ-CB 3.6Å; Y48-C50 HydrophobicContact CE1-CB 4.04Å; Y48-C50 WeakPolarHBondContact OH-CA 3.31Å; C50-N52 CarbonylContact O-C 3.6Å; C50-N52 PolarHBondContact O-N 3.33Å; C50-C53 PolarHBondContact O-N 2.97Å; C50-C53 VanDerWaalsContact SG-SG 3.64Å; C50-E54 PolarHBondContact O-N 3.34Å | ||
| 51 | P | 94.7 | Very high | 94.9 | Very high | 58 Ų | 58 | 68.6 Ų | 68.6 | 38% | 0.377 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -6 | -175.7 | -26.8 | 36.1 | 0 | 0 | 0 | 116.6 | K55 | P51-K55 WeakPolarHBondContact O-CE 3.34Å; P51-K55 PolarHBondContact O-NZ 3.15Å |
| 52 | N | 95.4 | Very high | 95 | Very high | 111 Ų | 111 | 69 Ų | 69 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -41.2 | 169.2 | -69.3 | -25.8 | 0 | 0 | 0 | 112.2 | C50 | C50-N52 CarbonylContact O-C 3.6Å; C50-N52 PolarHBondContact O-N 3.33Å |
| 53 | C | 96.9 | Very high | 94.9 | Very high | 15 Ų | 15 | 73.1 Ų | 73.1 | 10% | 0.101 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -25.2 | 179.6 | -64.8 | 0 | 0 | 0 | 0 | 113 | A25 H49 C50 K55 T56 H57 | A25-C53 HydrophobicContact CB-CB 3.73Å; H49-C53 HydrophobicContact CB-CB 4.41Å; C50-C53 PolarHBondContact O-N 2.97Å; C50-C53 VanDerWaalsContact SG-SG 3.64Å; C53-K55 PolarHBondContact O-N 3.34Å; C53-K55 VanDerWaalsContact O-N 3.17Å; C53-T56 PolarHBondContact O-N 2.96Å; C53-T56 PolarHBondContact O-OG1 2.8Å; C53-H57 PolarHBondContact O-CD2 3.06Å; C53-H57 PolarHBondContact O-N 3.33Å |
| 54 | E | 95.1 | Very high | 94.5 | Very high | 94 Ų | 94 | 78.5 Ų | 78.5 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -53.8 | -34.8 | 173.7 | 172.5 | 167.9 | -141.7 | 0 | 0 | 112.4 | C50 T56 G58 K59 | C50-E54 PolarHBondContact O-N 3.34Å; E54-T56 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 3.48Å; E54-G58 WeakPolarHBondContact CA-O 3.35Å; E54-G58 CarbonylContact O-C 3.55Å; E54-G58 WeakPolarHBondContact O-CA 3.5Å; E54-G58 PolarHBondContact O-N 3.03Å; E54-K59 HydrophobicContact CG-CB 4.44Å; E54-K59 WeakPolarHBondContact OE1-CB 3.33Å |
| 55 | K | 94.6 | Very high | 93.8 | Very high | 159 Ų | 159 | 83.1 Ų | 83.1 | 69% | 0.691 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71.1 | -16.5 | 179.8 | -64.1 | 157 | -178.1 | 148.4 | 0 | 113.7 | P51 C53 | P51-K55 WeakPolarHBondContact O-CE 3.34Å; P51-K55 PolarHBondContact O-NZ 3.15Å; C53-K55 PolarHBondContact O-N 3.34Å; C53-K55 VanDerWaalsContact O-N 3.17Å |
| 56 | T | 96.7 | Very high | 92.5 | Very high | 102 Ų | 102 | 92 Ų | 92 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -121.2 | -25.3 | -176 | 56 | 0 | 0 | 0 | 0 | 113.9 | C53 E54 | C53-T56 PolarHBondContact O-N 2.96Å; C53-T56 PolarHBondContact O-OG1 2.8Å; E54-T56 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 3.48Å |
| 57 | H | 93.3 | Very high | 90.9 | Very high | 114 Ų | 114 | 92.4 Ų | 92.4 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -116.1 | -1.9 | 180 | -56 | -82.5 | 0 | 0 | 0 | 113.2 | A25 C53 | A25-H57 WeakPolarHBondContact CB-CD2 3.38Å; C53-H57 PolarHBondContact O-CD2 3.06Å; C53-H57 PolarHBondContact O-N 3.33Å |
| 58 | G | 94.4 | Very high | 89 | Confident | 36 Ų | 36 | 100.3 Ų | 100.3 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | trans | 81.2 | 170.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H49 E54 | H49-G58 PolarHBondContact ND1-O 3.12Å; E54-G58 WeakPolarHBondContact CA-O 3.35Å; E54-G58 CarbonylContact O-C 3.55Å; E54-G58 WeakPolarHBondContact O-CA 3.5Å; E54-G58 PolarHBondContact O-N 3.03Å | ||
| 59 | K | 93.8 | Very high | 86.9 | Confident | 156 Ų | 156 | 106.4 Ų | 106.4 | 68% | 0.678 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -58.1 | 158.9 | 177.5 | 62.6 | -178 | 176.9 | 180 | 0 | 113.1 | E54 | E54-K59 HydrophobicContact CG-CB 4.44Å; E54-K59 WeakPolarHBondContact OE1-CB 3.33Å |
| 60 | S | 94.8 | Very high | 84.6 | Confident | 45 Ų | 45 | 115.2 Ų | 115.2 | 32% | 0.315 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -56 | 147.1 | 173.4 | 46.9 | 0 | 0 | 0 | 0 | 112 | I47 | I47-S60 CarbonylContact O-C 3.59Å; I47-S60 VanDerWaalsContact O-CA 3.27Å; I47-S60 WeakPolarHBondContact O-CA 3.44Å; I47-S60 VanDerWaalsContact O-CB 3.26Å; I47-S60 WeakPolarHBondContact O-CB 3.43Å |
| 61 | T | 94.3 | Very high | 82.3 | Confident | 64 Ų | 64 | 122.7 Ų | 122.7 | 39% | 0.393 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.4 | 177.7 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | D46 I47 | D46-T61 WeakPolarHBondContact CB-O 3.35Å; D46-T61 PolarHBondContact N-O 2.83Å; I47-T61 VanDerWaalsContact CB-OG1 3.31Å; I47-T61 WeakPolarHBondContact CB-OG1 3.18Å; I47-T61 WeakPolarHBondContact CG1-OG1 3.45Å; I47-T61 PolarHBondContact N-O 3.03Å; I47-T61 PolarHBondContact O-N 3.09Å |
| 62 | L | 92.6 | Very high | 79.6 | Confident | 102 Ų | 102 | 122.7 Ų | 122.7 | 53% | 0.534 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 142.3 | 171.6 | -66.9 | 170.5 | 0 | 0 | 0 | 111.2 | E41 D44 I45 K64 | E41-L62 VanDerWaalsContact OE1-CD2 3.27Å; E41-L62 WeakPolarHBondContact OE1-CD2 3.35Å; D44-L62 CarbonylContact O-C 3.53Å; D44-L62 WeakPolarHBondContact O-CA 3.28Å; D44-L62 WeakPolarHBondContact O-CD2 3.41Å; I45-L62 HydrophobicContact CG1-CD2 3.89Å; L62-K64 PolarHBondContact O-N 2.9Å; L62-K64 VanDerWaalsContact O-N 3.14Å |
| 63 | K | 91.8 | Very high | 77.4 | Confident | 102 Ų | 102 | 123.7 Ų | 123.7 | 44% | 0.443 | 61% | 0.609 | S | S | . | * | trans | -66.7 | 106.3 | 179.7 | -170.8 | -177.7 | -148.6 | 150 | 0 | 109 | P43 D44 D46 K65 | P43-K63 PolarHBondContact O-NZ 2.88Å; P43-K63 VanDerWaalsContact O-NZ 3.08Å; D44-K63 WeakPolarHBondContact O-CB 3.33Å; D44-K63 PolarHBondContact O-N 2.62Å; D46-K63 HydrophobicContact CB-CB 3.93Å; D46-K63 HydrophobicContact CB-CG 4.47Å; K63-K65 PolarHBondContact O-N 3.19Å | ||
| 64 | K | 84.4 | Confident | 75.2 | Confident | 192 Ų | 192 | 125.9 Ų | 125.9 | 84% | 0.835 | 63% | 0.634 | S | S | * | * | trans | -59.8 | 98.6 | -176.3 | -169.6 | 168.6 | -171.6 | 169.7 | 0 | 110.1 | L62 R66 | L62-K64 PolarHBondContact O-N 2.9Å; L62-K64 VanDerWaalsContact O-N 3.14Å; K64-R66 WeakPolarHBondContact O-CG 3.18Å; K64-R66 PolarHBondContact O-N 2.77Å | ||
| 65 | K | 78.6 | Confident | 72.6 | Confident | 161 Ų | 161 | 130.8 Ų | 130.8 | 70% | 0.7 | 66% | 0.657 | S | S | * | * | trans | -52.5 | 104.4 | -174.5 | -168 | 166.4 | -163.8 | 145.9 | 0 | 109.1 | K63 T67 | K63-K65 PolarHBondContact O-N 3.19Å; K65-T67 PolarHBondContact O-N 3.14Å | ||
| 66 | R | 69.3 | Low | 70.1 | Confident | 209 Ų | 209 | 127.7 Ų | 127.7 | 79% | 0.789 | 66% | 0.661 | S | S | * | * | trans | -68.5 | 101.6 | -173.6 | -52.2 | -173.1 | 83.6 | 172.8 | 7.1 | 106.9 | K64 W68 | K64-R66 WeakPolarHBondContact O-CG 3.18Å; K64-R66 PolarHBondContact O-N 2.77Å; R66-W68 VanDerWaalsContact O-CD1 3.29Å; R66-W68 PolarHBondContact O-N 2.88Å | ||
| 67 | T | 61 | Low | 67.4 | Low | 113 Ų | 113 | 128.3 Ų | 128.3 | 69% | 0.693 | 67% | 0.667 | S | S | * | * | trans | -65.7 | 87 | 172.5 | 39.8 | 0 | 0 | 0 | 0 | 107.7 | K65 H69 | K65-T67 PolarHBondContact O-N 3.14Å; T67-H69 VanDerWaalsContact O-CA 3.31Å; T67-H69 WeakPolarHBondContact O-CA 3.2Å; T67-H69 PolarHBondContact O-CD2 3.25Å; T67-H69 VanDerWaalsContact O-CD2 3.25Å; T67-H69 PolarHBondContact O-N 2.9Å | ||
| 68 | W | 55.3 | Low | 64.9 | Low | 230 Ų | 230 | 129.7 Ų | 129.7 | 87% | 0.871 | 68% | 0.678 | S | S | * | * | trans | -51.2 | 110.2 | 174.2 | -75.4 | 93.1 | 0 | 0 | 0 | 107.8 | R66 K70 | R66-W68 VanDerWaalsContact O-CD1 3.29Å; R66-W68 PolarHBondContact O-N 2.88Å; W68-K70 PolarHBondContact O-N 2.75Å | ||
| 69 | H | 54.3 | Low | 62.9 | Low | 145 Ų | 145 | 133.8 Ų | 133.8 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | trans | -63.8 | 114 | -148.3 | -74 | -123.1 | 0 | 0 | 0 | 111.4 | T67 H71 | T67-H69 VanDerWaalsContact O-CA 3.31Å; T67-H69 WeakPolarHBondContact O-CA 3.2Å; T67-H69 PolarHBondContact O-CD2 3.25Å; T67-H69 VanDerWaalsContact O-CD2 3.25Å; T67-H69 PolarHBondContact O-N 2.9Å; H69-H71 VanDerWaalsContact CB-CD2 3.48Å; H69-H71 WeakPolarHBondContact CB-CD2 3.43Å; H69-H71 AromaticContact CE1-NE2 3.92Å; H69-H71 AromaticContact CG-CD2 3.81Å; H69-H71 AromaticContact CG-NE2 3.8Å; H69-H71 AromaticContact ND1-CD2 3.44Å; H69-H71 PolarHBondContact ND1-CD2 2.91Å; H69-H71 AromaticContact ND1-CE1 3.95Å; H69-H71 AromaticContact ND1-NE2 2.95Å; H69-H71 PolarHBondContact ND1-NE2 3Å; H69-H71 PolarHBondContact O-N 3.44Å | ||
| 70 | K | 49.8 | Very low | 60.4 | Low | 208 Ų | 208 | 135 Ų | 135 | 90% | 0.904 | 70% | 0.701 | S | S | * | * | trans | -70.2 | 64.5 | 158 | -83.3 | -166.3 | 173.6 | -174.4 | 0 | 109.7 | W68 G72 | W68-K70 PolarHBondContact O-N 2.75Å; K70-G72 PolarHBondContact O-N 3.43Å | ||
| 71 | H | 48.2 | Very low | 57.6 | Low | 160 Ų | 160 | 137.6 Ų | 137.6 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | -78.7 | 58.6 | 157.9 | -72.3 | -51.9 | 0 | 0 | 0 | 109.4 | H69 | H69-H71 VanDerWaalsContact CB-CD2 3.48Å; H69-H71 WeakPolarHBondContact CB-CD2 3.43Å; H69-H71 AromaticContact CE1-NE2 3.92Å; H69-H71 AromaticContact CG-CD2 3.81Å; H69-H71 AromaticContact CG-NE2 3.8Å; H69-H71 AromaticContact ND1-CD2 3.44Å; H69-H71 PolarHBondContact ND1-CD2 2.91Å; H69-H71 AromaticContact ND1-CE1 3.95Å; H69-H71 AromaticContact ND1-NE2 2.95Å; H69-H71 PolarHBondContact ND1-NE2 3Å; H69-H71 PolarHBondContact O-N 3.44Å | ||
| 72 | G | 37.5 | Very low | 55 | Low | 59 Ų | 59 | 138.5 Ų | 138.5 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | trans | -93.8 | 119.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | K70 | K70-G72 PolarHBondContact O-N 3.43Š| ||
| 73 | P | 48.9 | Very low | 52.7 | Low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -72.4 | 141 | -178.3 | 29.5 | -34.3 | 0 | 0 | 0 | 111.2 | ||||
| 74 | G | 50.3 | Low | 50.1 | Low | 61 Ų | 61 | 145.5 Ų | 145.5 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 82.3 | 91.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 75 | Q | 40.5 | Very low | 48.2 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -167.5 | 103 | 132.2 | -105 | 145.2 | 106.7 | 0 | 0 | 109.1 | ||||
| 76 | A | 41.7 | Very low | 46.8 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 141.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | D78 | A76-D78 PolarHBondContact O-N 2.6Š|
| 77 | P | 41.2 | Very low | 45.5 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72 | 121.4 | 169.7 | 29.4 | -31.5 | 0 | 0 | 0 | 109.6 | ||
| 78 | D | 40.4 | Very low | 45 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 137.5 | 167 | -169 | -83.5 | 0 | 0 | 0 | 109.2 | A76 | A76-D78 PolarHBondContact O-N 2.6Š|
| 79 | V | 53.2 | Low | 44.5 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -127.8 | 123.1 | 179.6 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 80 | K | 40.9 | Very low | 43.8 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -136.1 | 133 | 162.7 | -97.4 | 177 | -175.8 | 60.6 | 0 | 111.8 | ||||
| 81 | A | 36.6 | Very low | 43.5 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -75 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 82 | A | 37.8 | Very low | 43.7 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | cis | -148.8 | 177.8 | 9.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 83 | K | 44.6 | Very low | 44.3 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | -166.4 | 161 | 61.1 | -74.3 | 174.6 | -179.5 | 175.5 | 0 | 112.3 | |||||
| 84 | N | 38 | Very low | 44.3 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | 83.7 | 137.8 | 169.6 | -60.1 | -27.4 | 0 | 0 | 0 | 118.3 | ||||
| 85 | S | 45.2 | Very low | 44.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 91.4 | 70.6 | 161.9 | -157.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 86 | V | 48.4 | Very low | 44.5 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | 70 | 159 | 144.4 | -53 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 87 | D | 42.1 | Very low | 45.4 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 62 | 126.6 | -179.1 | -72.4 | -132.8 | 0 | 0 | 0 | 118.6 | ||||
| 88 | L | 49.3 | Very low | 45.8 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -161 | 43.5 | -166.4 | -164.3 | 105.1 | 0 | 0 | 0 | 115 | ||||
| 89 | D | 45.6 | Very low | 46.3 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -128.8 | -0 | -171.5 | -56 | -93.1 | 0 | 0 | 0 | 115.7 | ||
| 90 | D | 40.6 | Very low | 46.3 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -116.3 | 2.8 | -166 | -162.2 | 53.1 | 0 | 0 | 0 | 115 | ||
| 91 | Y | 43.5 | Very low | 46.7 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | trans | -116.3 | 5.2 | -161.5 | -90.7 | -84.3 | 0 | 0 | 0 | 117.5 | ||||
| 92 | E | 51.5 | Low | 47.2 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -86.7 | -27.5 | -178.3 | -75 | -168 | 134.9 | 0 | 0 | 114.9 | E94 Q95 | E92-E94 PolarHBondContact O-N 3.07Å; E92-Q95 PolarHBondContact O-N 3.43Å |
| 93 | E | 49.7 | Very low | 47.9 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -74.9 | -27.1 | -171.2 | -167 | 169.3 | -131.1 | 0 | 0 | 114.5 | Q95 | E93-Q95 VanDerWaalsContact C-N 3.26Å; E93-Q95 PolarHBondContact O-N 3.01Å |
| 94 | E | 49.6 | Very low | 47.7 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 64% | 0.64 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -70.9 | -21.7 | 178.6 | -167.2 | 176 | -167.4 | 0 | 0 | 112.7 | E92 | E92-E94 PolarHBondContact O-N 3.07Å |
| 95 | Q | 45.8 | Very low | 48.3 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 62% | 0.621 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -73.3 | -36.7 | -168.7 | -171.4 | 58.1 | 98.2 | 0 | 0 | 113.4 | E92 E93 L98 | E92-Q95 PolarHBondContact O-N 3.43Å; E93-Q95 VanDerWaalsContact C-N 3.26Å; E93-Q95 PolarHBondContact O-N 3.01Å; Q95-L98 PolarHBondContact O-N 3.46Å |
| 96 | D | 50 | Low | 48.9 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -71 | -33.7 | 178.1 | -83.6 | -31.5 | 0 | 0 | 0 | 112.5 | L98 D99 A100 | D96-L98 PolarHBondContact O-N 3.05Å; D96-D99 PolarHBondContact O-N 3.32Å; D96-A100 PolarHBondContact O-N 3.1Å |
| 97 | H | 59.8 | Low | 49.1 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -59.9 | -30.3 | 177.4 | 177 | -110.3 | 0 | 0 | 0 | 112.3 | C101 | H97-C101 PolarHBondContact O-SG 3.12Å; H97-C101 VanDerWaalsContact O-SG 3.41Å |
| 98 | L | 48.6 | Very low | 50.1 | Low | 103 Ų | 103 | 140.3 Ų | 140.3 | 54% | 0.539 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -82.3 | -28.7 | 179.8 | -80.2 | 160.8 | 0 | 0 | 0 | 114.4 | Q95 D96 | Q95-L98 PolarHBondContact O-N 3.46Å; D96-L98 PolarHBondContact O-N 3.05Å |
| 99 | D | 51.8 | Low | 50.2 | Low | 94 Ų | 94 | 140.5 Ų | 140.5 | 50% | 0.503 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -82.1 | -24 | 175.9 | -173.7 | 57.1 | 0 | 0 | 0 | 112.6 | D96 C101 F102 K103 | D96-D99 PolarHBondContact O-N 3.32Å; D99-C101 VanDerWaalsContact C-N 3.33Å; D99-C101 PolarHBondContact O-N 3.37Å; D99-F102 PolarHBondContact O-N 2.85Å; D99-K103 PolarHBondContact O-NZ 3.35Å; D99-K103 IonicContact OD1-NZ 2.6Å; D99-K103 PolarHBondContact OD1-NZ 3.41Å; D99-K103 IonicContact OD2-NZ 2.6Å; D99-K103 PolarHBondContact OD2-NZ 3.13Å |
| 100 | A | 53.3 | Low | 50.4 | Low | 61 Ų | 61 | 137.5 Ų | 137.5 | 50% | 0.504 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -60.3 | -40.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D96 F102 K103 | D96-A100 PolarHBondContact O-N 3.1Å; A100-F102 PolarHBondContact O-N 3.03Å; A100-K103 PolarHBondContact O-N 3.34Å |
| 101 | C | 49.2 | Very low | 50.9 | Low | 89 Ų | 89 | 135.4 Ų | 135.4 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -3.7 | -178.1 | -66.3 | 0 | 0 | 0 | 0 | 115.6 | H97 D99 | H97-C101 PolarHBondContact O-SG 3.12Å; H97-C101 VanDerWaalsContact O-SG 3.41Å; D99-C101 VanDerWaalsContact C-N 3.33Å; D99-C101 PolarHBondContact O-N 3.37Å |
| 102 | F | 47.5 | Very low | 51.3 | Low | 189 Ų | 189 | 133.5 Ų | 133.5 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 9.9 | -178.4 | -126.4 | -84.6 | 0 | 0 | 0 | 114.7 | D99 A100 | D99-F102 PolarHBondContact O-N 2.85Å; A100-F102 PolarHBondContact O-N 3.03Å |
| 103 | K | 51.7 | Low | 51.2 | Low | 119 Ų | 119 | 133.4 Ų | 133.4 | 52% | 0.517 | 69% | 0.688 | S | S | . | * | trans | -100 | -18.8 | 179.3 | -86.8 | 59.6 | 165.5 | -172.1 | 0 | 114.9 | D99 A100 S105 | D99-K103 PolarHBondContact O-NZ 3.35Å; D99-K103 IonicContact OD1-NZ 2.6Å; D99-K103 PolarHBondContact OD1-NZ 3.41Å; D99-K103 IonicContact OD2-NZ 2.6Å; D99-K103 PolarHBondContact OD2-NZ 3.13Å; A100-K103 PolarHBondContact O-N 3.34Å; K103-S105 VanDerWaalsContact C-N 3.34Å; K103-S105 PolarHBondContact O-N 3.17Å | ||
| 104 | D | 41.6 | Very low | 50.9 | Low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | -77.2 | 79.4 | -178.2 | -71.7 | -22.5 | 0 | 0 | 0 | 112.2 | D106 | D104-D106 PolarHBondContact O-N 2.87Å; D104-D106 VanDerWaalsContact O-N 3.15Å | ||
| 105 | S | 50.2 | Low | 50.5 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -6.5 | 179.6 | 50.5 | 0 | 0 | 0 | 0 | 115.3 | K103 | K103-S105 VanDerWaalsContact C-N 3.34Å; K103-S105 PolarHBondContact O-N 3.17Å |
| 106 | D | 58 | Low | 50.6 | Low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 15.8 | -168.1 | -72.1 | -54.9 | 0 | 0 | 0 | 115.1 | D104 V108 | D104-D106 PolarHBondContact O-N 2.87Å; D104-D106 VanDerWaalsContact O-N 3.15Å; D106-V108 PolarHBondContact O-N 3.47Å |
| 107 | Y | 52.8 | Low | 50.4 | Low | 203 Ų | 203 | 134.7 Ų | 134.7 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | -74.2 | 76.9 | 169.6 | -161.7 | -92.6 | 0 | 0 | 0 | 111.7 | Y109 | Y107-Y109 PolarHBondContact O-N 3.27Å; Y107-Y109 VanDerWaalsContact O-N 3.13Å | ||
| 108 | V | 63.1 | Low | 49.8 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | trans | -60.8 | 112.5 | 178.4 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | D106 P110 | D106-V108 PolarHBondContact O-N 3.47Å; V108-P110 WeakPolarHBondContact O-CD 3.49Å | ||
| 109 | Y | 50.3 | Low | 49.9 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | trans | -68.5 | 124.8 | 176.9 | -157.2 | -86.7 | 0 | 0 | 0 | 110.3 | Y107 S111 L112 | Y107-Y109 PolarHBondContact O-N 3.27Å; Y107-Y109 VanDerWaalsContact O-N 3.13Å; Y109-S111 PolarHBondContact O-N 3.36Å; Y109-S111 VanDerWaalsContact O-N 3.12Å; Y109-L112 HydrophobicContact CE1-CD1 4.36Å | ||
| 110 | P | 49.5 | Very low | 49.5 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | trans | -60.7 | 115.9 | 175.9 | -25.1 | 35.6 | 0 | 0 | 0 | 111.3 | V108 L112 | V108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-L112 PolarHBondContact O-N 3.39Å | ||
| 111 | S | 51.8 | Low | 49.1 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -61.6 | 122.9 | -168.5 | -50.7 | 0 | 0 | 0 | 0 | 113.5 | Y109 E113 | Y109-S111 PolarHBondContact O-N 3.36Å; Y109-S111 VanDerWaalsContact O-N 3.12Å; S111-E113 PolarHBondContact O-N 3.32Å | ||
| 112 | L | 51.5 | Low | 48.9 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -82.3 | 48.5 | 175.4 | -72.8 | 172.8 | 0 | 0 | 0 | 112.6 | Y109 P110 | Y109-L112 HydrophobicContact CE1-CD1 4.36Å; P110-L112 PolarHBondContact O-N 3.39Å | ||
| 113 | E | 49.1 | Very low | 49.5 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -134.3 | 61.7 | -177.5 | -68.2 | -167.7 | 122.5 | 0 | 0 | 112.8 | S111 | S111-E113 PolarHBondContact O-N 3.32Š| ||
| 114 | S | 43.1 | Very low | 49.3 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -168.6 | 109 | 147.6 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 115 | D | 41.2 | Very low | 49.8 | Very low | 164 Ų | 164 | 149 Ų | 149 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -140 | 41 | 158.7 | -164.5 | -137.6 | 0 | 0 | 0 | 109.3 | ||||
| 116 | E | 49 | Very low | 49.8 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -120.4 | 53.7 | -177.7 | -73.6 | -166.7 | 86.9 | 0 | 0 | 112.9 | ||||
| 117 | D | 45.5 | Very low | 49.4 | Very low | 142 Ų | 142 | 156.3 Ų | 156.3 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -153.9 | 148.7 | 133.7 | -170.4 | -126.4 | 0 | 0 | 0 | 112.3 | ||||
| 118 | N | 46.9 | Very low | 49.6 | Very low | 139 Ų | 139 | 158 Ų | 158 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -134.5 | 107.1 | -178.1 | 168.9 | 104.7 | 0 | 0 | 0 | 111.4 | ||||
| 119 | P | 51.1 | Low | 49 | Very low | 99 Ų | 99 | 161.5 Ų | 161.5 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | trans | -93.4 | 115.8 | 168 | 32.1 | -31 | 0 | 0 | 0 | 113.6 | ||||
| 120 | I | 43.5 | Very low | 49 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | 74.8 | 102.9 | 144.2 | -81.4 | 60 | 0 | 0 | 0 | 119 | ||||
| 121 | F | 45.3 | Very low | 48.8 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | trans | 33.4 | 117.8 | 143.6 | -54.9 | -79.2 | 0 | 0 | 0 | 121.7 | ||||
| 122 | K | 44.2 | Very low | 48.8 | Very low | 208 Ų | 208 | 159.7 Ų | 159.7 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | -155.7 | 112.9 | 109.9 | -94.3 | 128.2 | -162.4 | 163.7 | 0 | 112.5 | |||||
| 123 | S | 61.2 | Low | 49.2 | Very low | 123 Ų | 123 | 158.7 Ų | 158.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -78.8 | 120.4 | 168.6 | 45 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 124 | R | 47.5 | Very low | 50.1 | Low | 243 Ų | 243 | 153.9 Ų | 153.9 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -128.1 | 131.4 | 167.1 | -163.3 | 171.3 | -175.1 | 177.3 | 1.7 | 111.3 | K126 | R124-K126 PolarHBondContact O-N 2.86Š| ||
| 125 | S | 50.5 | Low | 51 | Low | 117 Ų | 117 | 154.3 Ų | 154.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 128.6 | -162.4 | -51.6 | 0 | 0 | 0 | 0 | 114.6 | K127 | S125-K127 PolarHBondContact O-N 3.42Š| ||
| 126 | K | 51.9 | Low | 52.2 | Low | 203 Ų | 203 | 156 Ų | 156 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -26.7 | 91.2 | 166.6 | -164.2 | -179.6 | -168.5 | 77.1 | 0 | 114.9 | R124 | R124-K126 PolarHBondContact O-N 2.86Š| ||
| 127 | K | 48.1 | Very low | 52.8 | Low | 197 Ų | 197 | 149.5 Ų | 149.5 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -72.6 | 129.5 | 162.2 | -171.3 | 172.2 | -176.9 | 179 | 0 | 107.9 | S125 K129 | S125-K127 PolarHBondContact O-N 3.42Å; K127-K129 PolarHBondContact O-N 2.85Å | ||
| 128 | R | 56.6 | Low | 53.6 | Low | 239 Ų | 239 | 148 Ų | 148 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -68.4 | 101.5 | 172.6 | -72.5 | -173.3 | 176.6 | -145 | 1.9 | 109.1 | ||||
| 129 | K | 52.2 | Low | 54 | Low | 195 Ų | 195 | 147.4 Ų | 147.4 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -64.6 | 133 | 152 | -179.6 | 77.7 | 176.2 | -173.1 | 0 | 106.3 | K127 S131 | K127-K129 PolarHBondContact O-N 2.85Å; K129-S131 PolarHBondContact O-N 3.02Å | ||
| 130 | G | 50.1 | Low | 54.6 | Low | 60 Ų | 60 | 145.4 Ų | 145.4 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | trans | -63.8 | 124 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | D132 | G130-D132 VanDerWaalsContact C-N 3.3Å; G130-D132 PolarHBondContact O-N 3.22Å; G130-D132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | S | 45.7 | Very low | 55.5 | Low | 104 Ų | 104 | 151 Ų | 151 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 87.5 | 171.4 | -159.8 | 0 | 0 | 0 | 0 | 107 | K129 D133 | K129-S131 PolarHBondContact O-N 3.02Å; S131-D133 PolarHBondContact O-N 3.47Å | ||
| 132 | D | 51.6 | Low | 56.3 | Low | 171 Ų | 171 | 149 Ų | 149 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | trans | -78.4 | 54.9 | 168.9 | -147.9 | -123.7 | 0 | 0 | 0 | 109.1 | G130 | G130-D132 VanDerWaalsContact C-N 3.3Å; G130-D132 PolarHBondContact O-N 3.22Å; G130-D132 VanDerWaalsContact O-N 3.1Å | ||
| 133 | D | 58.5 | Low | 57.8 | Low | 135 Ų | 135 | 141.4 Ų | 141.4 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -127.7 | 58.1 | 177.8 | -174.6 | 41.2 | 0 | 0 | 0 | 106.2 | S131 | S131-D133 PolarHBondContact O-N 3.47Š| ||
| 134 | A | 69 | Low | 58.1 | Low | 81 Ų | 81 | 141.4 Ų | 141.4 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | -80.5 | 127 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | Y136 | A134-Y136 PolarHBondContact O-N 3Å; A134-Y136 VanDerWaalsContact O-N 3.12Å | ||
| 135 | P | 62.3 | Low | 58.9 | Low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | -58.2 | 122.8 | -179.1 | 23.7 | -33.4 | 0 | 0 | 0 | 109.4 | S137 | P135-S137 PolarHBondContact O-N 2.9Å; P135-S137 VanDerWaalsContact O-N 3.08Å | ||
| 136 | Y | 66.6 | Low | 60 | Low | 198 Ų | 198 | 135.2 Ų | 135.2 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -52.8 | 115.2 | -170.3 | 178.3 | -98.6 | 0 | 0 | 0 | 111.3 | A134 P138 | A134-Y136 PolarHBondContact O-N 3Å; A134-Y136 VanDerWaalsContact O-N 3.12Å; Y136-P138 HydrophobicContact CD1-CG 4.4Å; Y136-P138 HydrophobicContact CE1-CG 4.32Å; Y136-P138 WeakPolarHBondContact O-CD 3.01Å | ||
| 137 | S | 60.5 | Low | 61.1 | Low | 59 Ų | 59 | 130.9 Ų | 130.9 | 41% | 0.413 | 74% | 0.736 | S | S | . | * | trans | -97.6 | 111.1 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | P135 T139 A140 | P135-S137 PolarHBondContact O-N 2.9Å; P135-S137 VanDerWaalsContact O-N 3.08Å; S137-T139 PolarHBondContact O-N 3.25Å; S137-T139 PolarHBondContact OG-OG1 2.9Å; S137-A140 WeakPolarHBondContact O-CB 3.43Å; S137-A140 PolarHBondContact O-N 3.23Å | ||
| 138 | P | 62.2 | Low | 62 | Low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -12.4 | -176.4 | -23.2 | 35.1 | 0 | 0 | 0 | 114.6 | Y136 | Y136-P138 HydrophobicContact CD1-CG 4.4Å; Y136-P138 HydrophobicContact CE1-CG 4.32Å; Y136-P138 WeakPolarHBondContact O-CD 3.01Å |
| 139 | T | 55.4 | Low | 62.8 | Low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -2.7 | 177.6 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | S137 R141 | S137-T139 PolarHBondContact O-N 3.25Å; S137-T139 PolarHBondContact OG-OG1 2.9Å; T139-R141 PolarHBondContact O-N 3.38Å |
| 140 | A | 64.3 | Low | 63.9 | Low | 58 Ų | 58 | 128 Ų | 128 | 48% | 0.479 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -69.4 | 113.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S137 V142 | S137-A140 WeakPolarHBondContact O-CB 3.43Å; S137-A140 PolarHBondContact O-N 3.23Å; A140-V142 VanDerWaalsContact C-N 3.33Å; A140-V142 PolarHBondContact O-N 3.35Å |
| 141 | R | 61.9 | Low | 65 | Low | 250 Ų | 250 | 135.6 Ų | 135.6 | 94% | 0.943 | 74% | 0.744 | S | S | * | * | trans | -70.7 | 89.1 | 173.1 | -69.8 | -176.1 | 179 | 178 | -1 | 109.8 | T139 G143 | T139-R141 PolarHBondContact O-N 3.38Å; R141-G143 PolarHBondContact O-N 3.08Å | ||
| 142 | V | 62.5 | Low | 66.4 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | -75.1 | 64.7 | 173.3 | -166.8 | 0 | 0 | 0 | 0 | 109.9 | A140 | A140-V142 VanDerWaalsContact C-N 3.33Å; A140-V142 PolarHBondContact O-N 3.35Å | ||
| 143 | G | 75.8 | Confident | 67.1 | Low | 49 Ų | 49 | 133.9 Ų | 133.9 | 51% | 0.505 | 74% | 0.737 | S | S | . | * | trans | -71.5 | 155.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R141 S145 | R141-G143 PolarHBondContact O-N 3.08Å; G143-S145 PolarHBondContact O-N 3Å | ||
| 144 | P | 67.1 | Low | 67.6 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -51.2 | 132.1 | 172.7 | -26.7 | 35.2 | 0 | 0 | 0 | 111.1 | V146 | P144-V146 VanDerWaalsContact C-N 3.28Å; P144-V146 PolarHBondContact O-N 3.18Å | ||
| 145 | S | 64.9 | Low | 67.6 | Low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -71 | 85.1 | 178.7 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | G143 | G143-S145 PolarHBondContact O-N 3Š| ||
| 146 | V | 72.3 | Confident | 67.8 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | trans | -46.8 | 129.4 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | P144 R148 | P144-V146 VanDerWaalsContact C-N 3.28Å; P144-V146 PolarHBondContact O-N 3.18Å; V146-R148 PolarHBondContact O-N 3.04Å; V146-R148 VanDerWaalsContact O-N 3.09Å | ||
| 147 | P | 75.1 | Confident | 67.7 | Low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | -50.8 | 120.5 | 176.5 | -29.1 | 36 | 0 | 0 | 0 | 110.7 | Q149 | P147-Q149 PolarHBondContact O-N 2.8Š| ||
| 148 | R | 68.5 | Low | 67.9 | Low | 241 Ų | 241 | 141.1 Ų | 141.1 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | -67.3 | 97.6 | 178.4 | -72.8 | 179.2 | 173 | -89.5 | -2.1 | 108.4 | V146 D150 | V146-R148 PolarHBondContact O-N 3.04Å; V146-R148 VanDerWaalsContact O-N 3.09Å; R148-D150 PolarHBondContact O-N 2.84Å | ||
| 149 | Q | 72.4 | Confident | 68.5 | Low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -55.9 | 131.2 | 167.7 | -70.4 | -168.8 | -17.2 | 0 | 0 | 108.7 | P147 R151 | P147-Q149 PolarHBondContact O-N 2.8Å; Q149-R151 PolarHBondContact O-N 3.08Å | ||
| 150 | D | 74.9 | Confident | 69.4 | Low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | -66 | 132.5 | -178.9 | -152.5 | -34.8 | 0 | 0 | 0 | 109.3 | R148 P152 | R148-D150 PolarHBondContact O-N 2.84Å; D150-P152 WeakPolarHBondContact O-CD 3.39Å | ||
| 151 | R | 74.4 | Confident | 70 | Confident | 220 Ų | 220 | 137.5 Ų | 137.5 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | -86.3 | 114.2 | -174.3 | -166.9 | 177.4 | -163.9 | 172.7 | 6.8 | 106.8 | Q149 V153 | Q149-R151 PolarHBondContact O-N 3.08Å; R151-V153 PolarHBondContact O-N 3.38Å | ||
| 152 | P | 74.4 | Confident | 70.9 | Confident | 120 Ų | 120 | 130.4 Ų | 130.4 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | -51.6 | 115.9 | -167.6 | 18 | -32 | 0 | 0 | 0 | 110.7 | D150 R154 | D150-P152 WeakPolarHBondContact O-CD 3.39Å; P152-R154 PolarHBondContact O-N 3.46Å; P152-R154 VanDerWaalsContact O-N 3.14Å | ||
| 153 | V | 67 | Low | 71.9 | Confident | 119 Ų | 119 | 128.8 Ų | 128.8 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | trans | -61.5 | 118.9 | -172.1 | 174.3 | 0 | 0 | 0 | 0 | 108.5 | R151 E155 | R151-V153 PolarHBondContact O-N 3.38Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.08Å | ||
| 154 | R | 68.8 | Low | 72.3 | Confident | 212 Ų | 212 | 130.9 Ų | 130.9 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | trans | -71.7 | 93.5 | 173 | -171.3 | 69 | -177.6 | -177.2 | 2.9 | 108.5 | P152 G156 T157 | P152-R154 PolarHBondContact O-N 3.46Å; P152-R154 VanDerWaalsContact O-N 3.14Å; R154-G156 PolarHBondContact O-N 3.48Å; R154-T157 PolarHBondContact O-N 3.12Å | ||
| 155 | E | 68.1 | Low | 73.5 | Confident | 167 Ų | 167 | 126.9 Ų | 126.9 | 78% | 0.78 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 123 | 171.1 | -60.8 | -160.5 | 125.3 | 0 | 0 | 109 | V153 | V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.08Å |
| 156 | G | 66.5 | Low | 74.7 | Confident | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134 | -29.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114 | R154 R158 | R154-G156 PolarHBondContact O-N 3.48Å; G156-R158 VanDerWaalsContact C-N 3.29Å; G156-R158 PolarHBondContact O-N 3.07Å |
| 157 | T | 64.6 | Low | 75.3 | Confident | 109 Ų | 109 | 124.6 Ų | 124.6 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | trans | -91 | 31.2 | 177.3 | -36 | 0 | 0 | 0 | 0 | 113.8 | R154 V159 | R154-T157 PolarHBondContact O-N 3.12Å; T157-V159 HydrophobicContact CG2-CG2 4.5Å; T157-V159 PolarHBondContact O-N 3.04Å; T157-V159 VanDerWaalsContact O-N 3.12Å | ||
| 158 | R | 65.6 | Low | 76 | Confident | 184 Ų | 184 | 121.5 Ų | 121.5 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | trans | -78 | 93.4 | 164.1 | -67.4 | -160 | -168.4 | 179.8 | 6.8 | 108.8 | G156 A160 E163 | G156-R158 VanDerWaalsContact C-N 3.29Å; G156-R158 PolarHBondContact O-N 3.07Å; R158-A160 PolarHBondContact O-N 3.23Å; R158-A160 VanDerWaalsContact O-N 3.13Å; R158-E163 VanDerWaalsContact CD-OE1 3.28Å; R158-E163 WeakPolarHBondContact CD-OE1 3.39Å; R158-E163 IonicContact NH1-OE1 3.96Å | ||
| 159 | V | 73.4 | Confident | 76.8 | Confident | 74 Ų | 74 | 112.8 Ų | 112.8 | 45% | 0.448 | 63% | 0.627 | S | S | . | * | trans | -69.4 | 110.1 | 177.6 | -163.4 | 0 | 0 | 0 | 0 | 108.1 | T157 S161 I162 | T157-V159 HydrophobicContact CG2-CG2 4.5Å; T157-V159 PolarHBondContact O-N 3.04Å; T157-V159 VanDerWaalsContact O-N 3.12Å; V159-S161 WeakPolarHBondContact CG1-OG 3.38Å; V159-S161 PolarHBondContact O-N 3.1Å; V159-I162 HydrophobicContact CB-CD1 3.97Å; V159-I162 HydrophobicContact CB-CG1 4.2Å; V159-I162 HydrophobicContact CG2-CD1 4.22Å; V159-I162 WeakPolarHBondContact O-CB 3.44Å; V159-I162 PolarHBondContact O-N 2.93Å | ||
| 160 | A | 75.9 | Confident | 77.5 | Confident | 62 Ų | 62 | 107 Ų | 107 | 51% | 0.512 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -56.1 | -22.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R158 I162 E163 T164 | R158-A160 PolarHBondContact O-N 3.23Å; R158-A160 VanDerWaalsContact O-N 3.13Å; A160-I162 VanDerWaalsContact C-N 3.27Å; A160-I162 PolarHBondContact O-N 3.38Å; A160-E163 PolarHBondContact O-N 2.97Å; A160-T164 VanDerWaalsContact O-CB 3.31Å; A160-T164 WeakPolarHBondContact O-CB 3.36Å; A160-T164 PolarHBondContact O-N 3.26Å; A160-T164 PolarHBondContact O-OG1 3.25Å |
| 161 | S | 77.1 | Confident | 78 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 58% | 0.58 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.2 | -25.5 | 172.2 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | V159 G165 | V159-S161 WeakPolarHBondContact CG1-OG 3.38Å; V159-S161 PolarHBondContact O-N 3.1Å; S161-G165 PolarHBondContact O-N 2.98Å |
| 162 | I | 80.8 | Confident | 78.4 | Confident | 101 Ų | 101 | 99 Ų | 99 | 52% | 0.518 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73.3 | -47.9 | 175.2 | -60.2 | 172.3 | 0 | 0 | 0 | 109.9 | V159 A160 G165 L166 | V159-I162 HydrophobicContact CB-CD1 3.97Å; V159-I162 HydrophobicContact CB-CG1 4.2Å; V159-I162 HydrophobicContact CG2-CD1 4.22Å; V159-I162 WeakPolarHBondContact O-CB 3.44Å; V159-I162 PolarHBondContact O-N 2.93Å; A160-I162 VanDerWaalsContact C-N 3.27Å; A160-I162 PolarHBondContact O-N 3.38Å; I162-G165 PolarHBondContact O-N 3.33Å; I162-L166 HydrophobicContact CG2-CD1 4.22Å; I162-L166 WeakPolarHBondContact O-CG 3.3Å; I162-L166 PolarHBondContact O-N 2.94Å |
| 163 | E | 82 | Confident | 78.8 | Confident | 94 Ų | 94 | 98.8 Ų | 98.8 | 44% | 0.439 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.1 | -42.9 | 176.1 | -64.3 | -179.1 | 155.7 | 0 | 0 | 110.7 | R158 A160 G165 L166 A167 | R158-E163 VanDerWaalsContact CD-OE1 3.28Å; R158-E163 WeakPolarHBondContact CD-OE1 3.39Å; R158-E163 IonicContact NH1-OE1 3.96Å; A160-E163 PolarHBondContact O-N 2.97Å; E163-G165 VanDerWaalsContact C-N 3.34Å; E163-G165 PolarHBondContact O-N 3.42Å; E163-L166 PolarHBondContact O-N 3.48Å; E163-A167 WeakPolarHBondContact O-CB 3.42Å; E163-A167 PolarHBondContact O-N 2.94Å |
| 164 | T | 83.9 | Confident | 79.3 | Confident | 94 Ų | 94 | 96.9 Ų | 96.9 | 58% | 0.577 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.3 | -41.6 | 172.3 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | A160 A168 | A160-T164 VanDerWaalsContact O-CB 3.31Å; A160-T164 WeakPolarHBondContact O-CB 3.36Å; A160-T164 PolarHBondContact O-N 3.26Å; A160-T164 PolarHBondContact O-OG1 3.25Å; T164-A168 VanDerWaalsContact O-CB 3.26Å; T164-A168 WeakPolarHBondContact O-CB 3.5Å; T164-A168 PolarHBondContact O-N 2.65Å |
| 165 | G | 92.6 | Very high | 79.7 | Confident | 40 Ų | 40 | 92.7 Ų | 92.7 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.3 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | S161 I162 E163 A169 | S161-G165 PolarHBondContact O-N 2.98Å; I162-G165 PolarHBondContact O-N 3.33Å; E163-G165 VanDerWaalsContact C-N 3.34Å; E163-G165 PolarHBondContact O-N 3.42Å; G165-A169 WeakPolarHBondContact O-CB 3.32Å; G165-A169 PolarHBondContact O-N 2.68Å |
| 166 | L | 91.5 | Very high | 80.1 | Confident | 119 Ų | 119 | 89.9 Ų | 89.9 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.8 | -47.2 | 174.8 | -77.9 | 164.5 | 0 | 0 | 0 | 111.7 | I162 E163 A168 A169 A170 | I162-L166 HydrophobicContact CG2-CD1 4.22Å; I162-L166 WeakPolarHBondContact O-CG 3.3Å; I162-L166 PolarHBondContact O-N 2.94Å; E163-L166 PolarHBondContact O-N 3.48Å; L166-A168 PolarHBondContact O-N 2.94Å; L166-A169 PolarHBondContact O-N 3.21Å; L166-A170 PolarHBondContact O-N 3.27Å |
| 167 | A | 84.9 | Confident | 80.3 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 51% | 0.512 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E163 A169 A170 A171 | E163-A167 WeakPolarHBondContact O-CB 3.42Å; E163-A167 PolarHBondContact O-N 2.94Å; A167-A169 VanDerWaalsContact C-N 3.32Å; A167-A169 PolarHBondContact O-N 3.27Å; A167-A170 PolarHBondContact O-N 3.32Å; A167-A171 WeakPolarHBondContact O-CB 3.35Å; A167-A171 PolarHBondContact O-N 3.12Å |
| 168 | A | 88.9 | Confident | 80.5 | Confident | 47 Ų | 47 | 93 Ų | 93 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66 | -30.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T164 L166 K172 | T164-A168 VanDerWaalsContact O-CB 3.26Å; T164-A168 WeakPolarHBondContact O-CB 3.5Å; T164-A168 PolarHBondContact O-N 2.65Å; L166-A168 PolarHBondContact O-N 2.94Å; A168-K172 WeakPolarHBondContact O-CG 3.48Å; A168-K172 PolarHBondContact O-N 3.26Å |
| 169 | A | 85.4 | Confident | 80.4 | Confident | 57 Ų | 57 | 90.9 Ų | 90.9 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.7 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G165 L166 A167 K172 L173 | G165-A169 WeakPolarHBondContact O-CB 3.32Å; G165-A169 PolarHBondContact O-N 2.68Å; L166-A169 PolarHBondContact O-N 3.21Å; A167-A169 VanDerWaalsContact C-N 3.32Å; A167-A169 PolarHBondContact O-N 3.27Å; A169-K172 PolarHBondContact O-N 2.86Å; A169-L173 PolarHBondContact O-N 3.08Å |
| 170 | A | 86.3 | Confident | 79.9 | Confident | 63 Ų | 63 | 93.4 Ų | 93.4 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L166 A167 K172 L173 S174 | L166-A170 PolarHBondContact O-N 3.27Å; A167-A170 PolarHBondContact O-N 3.32Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.27Å; A170-L173 WeakPolarHBondContact O-CB 3.34Å; A170-L173 PolarHBondContact O-N 3.35Å; A170-L173 VanDerWaalsContact O-N 3.12Å; A170-S174 PolarHBondContact O-N 3.02Å; A170-S174 VanDerWaalsContact O-N 3.08Å |
| 171 | A | 85.6 | Confident | 79.1 | Confident | 49 Ų | 49 | 93.5 Ų | 93.5 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A167 S174 Q175 | A167-A171 WeakPolarHBondContact O-CB 3.35Å; A167-A171 PolarHBondContact O-N 3.12Å; A171-S174 PolarHBondContact O-N 2.85Å; A171-Q175 WeakPolarHBondContact O-CG 3.42Å; A171-Q175 PolarHBondContact O-N 2.95Å; A171-Q175 VanDerWaalsContact O-N 3.08Å |
| 172 | K | 83.9 | Confident | 78.4 | Confident | 148 Ų | 148 | 95.6 Ų | 95.6 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -32.2 | 175.7 | -74.9 | 174.1 | -179.1 | 177.4 | 0 | 113 | A168 A169 A170 Q176 | A168-K172 WeakPolarHBondContact O-CG 3.48Å; A168-K172 PolarHBondContact O-N 3.26Å; A169-K172 PolarHBondContact O-N 2.86Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.27Å; K172-Q176 PolarHBondContact O-N 3.17Å |
| 173 | L | 82.4 | Confident | 77.3 | Confident | 116 Ų | 116 | 99 Ų | 99 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.1 | -46.7 | 175.1 | -151.2 | 79.6 | 0 | 0 | 0 | 111 | A169 A170 Q175 Q176 E177 | A169-L173 PolarHBondContact O-N 3.08Å; A170-L173 WeakPolarHBondContact O-CB 3.34Å; A170-L173 PolarHBondContact O-N 3.35Å; A170-L173 VanDerWaalsContact O-N 3.12Å; L173-Q175 PolarHBondContact O-N 3.2Å; L173-Q176 WeakPolarHBondContact O-CB 3.41Å; L173-Q176 PolarHBondContact O-N 3.02Å; L173-Q176 VanDerWaalsContact O-N 3.13Å; L173-E177 PolarHBondContact O-N 3.46Å |
| 174 | S | 76.4 | Confident | 76.1 | Confident | 80 Ų | 80 | 102.8 Ų | 102.8 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.8 | -47.3 | 175 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | A170 A171 Q176 E177 E178 | A170-S174 PolarHBondContact O-N 3.02Å; A170-S174 VanDerWaalsContact O-N 3.08Å; A171-S174 PolarHBondContact O-N 2.85Å; S174-Q176 VanDerWaalsContact C-N 3.29Å; S174-Q176 PolarHBondContact O-N 3.31Å; S174-E177 PolarHBondContact O-N 2.81Å; S174-E177 VanDerWaalsContact O-N 3.1Å; S174-E178 PolarHBondContact O-N 3.49Å |
| 175 | Q | 78.1 | Confident | 74.8 | Confident | 123 Ų | 123 | 105.9 Ų | 105.9 | 58% | 0.575 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.2 | -35.6 | 175.5 | -70.2 | 175.8 | 7.5 | 0 | 0 | 112.8 | A171 L173 E177 Q179 | A171-Q175 WeakPolarHBondContact O-CG 3.42Å; A171-Q175 PolarHBondContact O-N 2.95Å; A171-Q175 VanDerWaalsContact O-N 3.08Å; L173-Q175 PolarHBondContact O-N 3.2Å; Q175-E177 VanDerWaalsContact C-N 3.35Å; Q175-Q179 WeakPolarHBondContact O-CG 3.28Å; Q175-Q179 PolarHBondContact O-N 3.46Å; Q175-Q179 VanDerWaalsContact O-N 3.12Å |
| 176 | Q | 76.4 | Confident | 72.9 | Confident | 108 Ų | 108 | 108.5 Ų | 108.5 | 51% | 0.505 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.1 | -34.1 | 175.6 | -163.7 | -169.4 | 55 | 0 | 0 | 112.2 | K172 L173 S174 K180 | K172-Q176 PolarHBondContact O-N 3.17Å; L173-Q176 WeakPolarHBondContact O-CB 3.41Å; L173-Q176 PolarHBondContact O-N 3.02Å; L173-Q176 VanDerWaalsContact O-N 3.13Å; S174-Q176 VanDerWaalsContact C-N 3.29Å; S174-Q176 PolarHBondContact O-N 3.31Å; Q176-K180 WeakPolarHBondContact O-CG 3.49Å; Q176-K180 PolarHBondContact O-N 3.19Å |
| 177 | E | 70 | Confident | 71.1 | Confident | 142 Ų | 142 | 107 Ų | 107 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.4 | -44.2 | 176.8 | -168.2 | 168.2 | 151.4 | 0 | 0 | 111.8 | L173 S174 Q175 Q179 K180 S181 | L173-E177 PolarHBondContact O-N 3.46Å; S174-E177 PolarHBondContact O-N 2.81Å; S174-E177 VanDerWaalsContact O-N 3.1Å; Q175-E177 VanDerWaalsContact C-N 3.35Å; E177-Q179 VanDerWaalsContact C-N 3.35Å; E177-Q179 PolarHBondContact O-N 3.1Å; E177-K180 WeakPolarHBondContact O-CA 3.38Å; E177-K180 WeakPolarHBondContact O-CB 3.46Å; E177-K180 PolarHBondContact O-N 2.92Å; E177-K180 VanDerWaalsContact O-N 3.07Å; E177-S181 PolarHBondContact O-N 3.18Å |
| 178 | E | 69.4 | Low | 69.7 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.3 | -31.7 | 179.8 | -160.8 | -179.2 | 78.1 | 0 | 0 | 112.9 | S174 K180 S181 K182 | S174-E178 PolarHBondContact O-N 3.49Å; E178-K180 VanDerWaalsContact C-N 3.31Å; E178-K180 PolarHBondContact O-N 3.37Å; E178-S181 PolarHBondContact O-N 3.33Å; E178-S181 PolarHBondContact O-OG 3.15Å; E178-K182 HydrophobicContact CG-CD 4.11Å; E178-K182 HydrophobicContact CG-CG 4.46Å; E178-K182 WeakPolarHBondContact O-CB 3.28Å; E178-K182 WeakPolarHBondContact O-CG 3.47Å; E178-K182 PolarHBondContact O-N 3.32Å; E178-K182 WeakPolarHBondContact OE1-CE 3.26Å; E178-K182 IonicContact OE1-NZ 2.8Å; E178-K182 PolarHBondContact OE1-NZ 2.89Å |
| 179 | Q | 64.1 | Low | 68.1 | Low | 140 Ų | 140 | 121.3 Ų | 121.3 | 65% | 0.654 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.1 | -35.5 | 169.8 | -73.7 | -178.9 | 11.3 | 0 | 0 | 112.2 | Q175 E177 K183 | Q175-Q179 WeakPolarHBondContact O-CG 3.28Å; Q175-Q179 PolarHBondContact O-N 3.46Å; Q175-Q179 VanDerWaalsContact O-N 3.12Å; E177-Q179 VanDerWaalsContact C-N 3.35Å; E177-Q179 PolarHBondContact O-N 3.1Å; Q179-K183 WeakPolarHBondContact O-CB 3.5Å; Q179-K183 PolarHBondContact O-N 3.44Å; Q179-K183 VanDerWaalsContact O-N 3.15Å |
| 180 | K | 63 | Low | 65.9 | Low | 126 Ų | 126 | 128 Ų | 128 | 55% | 0.548 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.8 | -39 | 173.6 | -71.4 | 166.8 | -178.3 | 166 | 0 | 112 | Q176 E177 E178 K184 | Q176-K180 WeakPolarHBondContact O-CG 3.49Å; Q176-K180 PolarHBondContact O-N 3.19Å; E177-K180 WeakPolarHBondContact O-CA 3.38Å; E177-K180 WeakPolarHBondContact O-CB 3.46Å; E177-K180 PolarHBondContact O-N 2.92Å; E177-K180 VanDerWaalsContact O-N 3.07Å; E178-K180 VanDerWaalsContact C-N 3.31Å; E178-K180 PolarHBondContact O-N 3.37Å; K180-K184 PolarHBondContact O-N 3.19Å |
| 181 | S | 58.8 | Low | 63.6 | Low | 65 Ų | 65 | 132.5 Ų | 132.5 | 46% | 0.455 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.3 | -42.8 | 178.6 | 76.1 | 0 | 0 | 0 | 0 | 111.9 | E177 E178 K183 K184 K185 | E177-S181 PolarHBondContact O-N 3.18Å; E178-S181 PolarHBondContact O-N 3.33Å; E178-S181 PolarHBondContact O-OG 3.15Å; S181-K183 PolarHBondContact O-N 3.04Å; S181-K184 PolarHBondContact O-N 3.06Å; S181-K184 VanDerWaalsContact O-N 3.12Å; S181-K185 PolarHBondContact O-N 2.91Å; S181-K185 VanDerWaalsContact O-N 3.15Å |
| 182 | K | 61.4 | Low | 61.4 | Low | 126 Ų | 126 | 136.6 Ų | 136.6 | 55% | 0.548 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -59.7 | -41.9 | 174.8 | -75.2 | 168.8 | 173.3 | 169.5 | 0 | 112.1 | E178 K184 K185 S186 | E178-K182 HydrophobicContact CG-CD 4.11Å; E178-K182 HydrophobicContact CG-CG 4.46Å; E178-K182 WeakPolarHBondContact O-CB 3.28Å; E178-K182 WeakPolarHBondContact O-CG 3.47Å; E178-K182 PolarHBondContact O-N 3.32Å; E178-K182 WeakPolarHBondContact OE1-CE 3.26Å; E178-K182 IonicContact OE1-NZ 2.8Å; E178-K182 PolarHBondContact OE1-NZ 2.89Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 2.88Å; K182-K185 PolarHBondContact O-N 3.45Å; K182-K185 VanDerWaalsContact O-N 3.08Å; K182-S186 PolarHBondContact O-N 3.4Å |
| 183 | K | 57.2 | Low | 60.3 | Low | 173 Ų | 173 | 135.2 Ų | 135.2 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66.9 | -21.7 | 176.2 | -168.1 | 168 | -176.8 | 174.7 | 0 | 114.3 | Q179 S181 S186 | Q179-K183 WeakPolarHBondContact O-CB 3.5Å; Q179-K183 PolarHBondContact O-N 3.44Å; Q179-K183 VanDerWaalsContact O-N 3.15Å; S181-K183 PolarHBondContact O-N 3.04Å; K183-S186 PolarHBondContact O-OG 3.35Å |
| 184 | K | 58.4 | Low | 57.8 | Low | 173 Ų | 173 | 136.3 Ų | 136.3 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.7 | -34.6 | 168.5 | -72 | -177.4 | 175.3 | -176.3 | 0 | 112.4 | K180 S181 K182 | K180-K184 PolarHBondContact O-N 3.19Å; S181-K184 PolarHBondContact O-N 3.06Å; S181-K184 VanDerWaalsContact O-N 3.12Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 2.88Å |
| 185 | K | 56.8 | Low | 55.7 | Low | 159 Ų | 159 | 137.7 Ų | 137.7 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -76.4 | -26.5 | -173.5 | -152.4 | 167.8 | -173.1 | 173.8 | 0 | 113.6 | S181 K182 A187 | S181-K185 PolarHBondContact O-N 2.91Å; S181-K185 VanDerWaalsContact O-N 3.15Å; K182-K185 PolarHBondContact O-N 3.45Å; K182-K185 VanDerWaalsContact O-N 3.08Å; K185-A187 VanDerWaalsContact C-N 3.28Å; K185-A187 PolarHBondContact O-N 2.94Å |
| 186 | S | 51.3 | Low | 53.5 | Low | 95 Ų | 95 | 138.2 Ų | 138.2 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -69.3 | -20.1 | 175.2 | 55 | 0 | 0 | 0 | 0 | 114.3 | K182 K183 K188 | K182-S186 PolarHBondContact O-N 3.4Å; K183-S186 PolarHBondContact O-OG 3.35Å; S186-K188 VanDerWaalsContact C-N 3.31Å; S186-K188 PolarHBondContact O-N 2.89Å |
| 187 | A | 53.7 | Low | 51.6 | Low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -81.5 | -0.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K185 | K185-A187 VanDerWaalsContact C-N 3.28Å; K185-A187 PolarHBondContact O-N 2.94Å |
| 188 | K | 55.2 | Low | 50.9 | Low | 186 Ų | 186 | 136.4 Ų | 136.4 | 81% | 0.809 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -132.9 | 38.5 | -171.1 | -163.7 | 61.9 | 178.1 | -177.7 | 0 | 113.6 | S186 | S186-K188 VanDerWaalsContact C-N 3.31Å; S186-K188 PolarHBondContact O-N 2.89Å |
| 189 | R | 55.6 | Low | 49.3 | Very low | 225 Ų | 225 | 136.3 Ų | 136.3 | 85% | 0.849 | 72% | 0.72 | S | S | * | * | trans | -142.4 | 96.1 | 168.3 | -69.2 | -165 | 176.6 | -144.7 | -7.9 | 113.5 | ||||
| 190 | K | 40.6 | Very low | 47.8 | Very low | 198 Ų | 198 | 136 Ų | 136 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | trans | -144.8 | 152.6 | 147.2 | -159.7 | -176.4 | -179.3 | -170.8 | 0 | 108 | ||||
| 191 | L | 37.4 | Very low | 46.5 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | 83.1 | 129 | 179 | -51.5 | 178.2 | 0 | 0 | 0 | 116.8 | ||||
| 192 | T | 40.1 | Very low | 45.4 | Very low | 135 Ų | 135 | 138 Ų | 138 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | -157.7 | 175 | 173.6 | 50.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 193 | P | 59.3 | Low | 44.2 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | cis | -115.2 | -162.2 | -0.3 | 46.1 | -31.1 | 0 | 0 | 0 | 110.9 | ||||
| 194 | N | 31.3 | Very low | 43.3 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | -160.6 | 144.5 | 58.6 | -166.2 | 23 | 0 | 0 | 0 | 114.5 | |||||
| 195 | T | 32.3 | Very low | 42.3 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | 1.7 | 130.7 | 155.2 | -49.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 196 | T | 31.8 | Very low | 41.2 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | -171.8 | 153.2 | 112.5 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 197 | S | 35.1 | Very low | 40.3 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -131.7 | -178.2 | -172.6 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 198 | P | 56.6 | Low | 39.3 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -139.8 | -168.9 | 5.8 | 43.7 | -24.5 | 0 | 0 | 0 | 117.1 | ||||
| 199 | S | 35.1 | Very low | 38.4 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | 80 | 157.4 | 166.2 | -55 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 200 | T | 32.3 | Very low | 37.4 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | cis | -140.9 | -176.1 | 7 | -26.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 201 | S | 35.6 | Very low | 37.1 | Very low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -71.3 | 169.6 | 170.6 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 202 | T | 35.8 | Very low | 37.1 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | cis | -159.1 | 161.9 | 47.6 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 203 | S | 37.1 | Very low | 36.8 | Very low | 101 Ų | 101 | 117 Ų | 117 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -119.8 | 138 | -173.1 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 204 | I | 38 | Very low | 35.8 | Very low | 168 Ų | 168 | 117.9 Ų | 117.9 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | -174.4 | 172.6 | 152.4 | 37 | 174.6 | 0 | 0 | 0 | 109.4 | ||||
| 205 | S | 37.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 165.7 | 117.6 | -53.8 | -86.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 206 | A | 33.3 | Very low | 37.3 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 95% | 0.95 | 77% | 0.773 | S | S | * | * | trans | 65.6 | 165 | 155.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 207 | G | 33.6 | Very low | 37.4 | Very low | 64 Ų | 64 | 115.2 Ų | 115.2 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | trans | 109 | 114.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 208 | T | 31.8 | Very low | 37.4 | Very low | 134 Ų | 134 | 117 Ų | 117 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | cis | 58.1 | 119.3 | 36.8 | 77.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 209 | T | 35.2 | Very low | 36.6 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | cis | -153.4 | 159.8 | 47.3 | 38.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 210 | S | 36.4 | Very low | 37.2 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 51.7 | 143.5 | 101.9 | -35.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 211 | T | 33.7 | Very low | 37.4 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | cis | -149.4 | 178 | 27.8 | 40 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 212 | S | 36.9 | Very low | 37.2 | Very low | 98 Ų | 98 | 117 Ų | 117 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -46.2 | 165.2 | 164.2 | 49.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 213 | T | 34.8 | Very low | 37.3 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | -160.1 | 179.4 | 61.7 | 40.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 214 | T | 38.2 | Very low | 37.4 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -115.3 | -147.5 | -173.9 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 215 | P | 61.3 | Low | 38 | Very low | 123 Ų | 123 | 117 Ų | 117 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | -129.9 | 168.4 | -118.8 | 39.7 | -19.5 | 0 | 0 | 0 | 118.3 | |||||
| 216 | A | 32.3 | Very low | 37.9 | Very low | 93 Ų | 93 | 116.1 Ų | 116.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -156.1 | 145.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 217 | S | 34.4 | Very low | 38.3 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | 75.4 | 105.4 | 34 | -167.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 218 | T | 36 | Very low | 38.3 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -178.4 | 143 | 129.9 | 29.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 219 | T | 38.6 | Very low | 38.6 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -94.4 | 165.6 | 152.5 | 54 | 0 | 0 | 0 | 0 | 109 | ||||
| 220 | P | 48.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -157.4 | 161.6 | 98.6 | 40.3 | -21.3 | 0 | 0 | 0 | 118.6 | |||||
| 221 | A | 36 | Very low | 38.3 | Very low | 93 Ų | 93 | 119.7 Ų | 119.7 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 55.2 | 122 | 136.4 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 222 | S | 32.8 | Very low | 38.5 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | 70.3 | 131.1 | 122.4 | -160.4 | 0 | 0 | 0 | 0 | 123 | |||||
| 223 | T | 36.8 | Very low | 38.6 | Very low | 140 Ų | 140 | 119 Ų | 119 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | -171.6 | 157.1 | 117.7 | 17.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 224 | T | 39 | Very low | 38.7 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -117.2 | 168.4 | 168.5 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 225 | P | 51.4 | Low | 38.4 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | -145.4 | 171.6 | 120.9 | 37.3 | -22.1 | 0 | 0 | 0 | 116.6 | |||||
| 226 | A | 34.9 | Very low | 37.2 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -76.5 | 178.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 227 | S | 41.3 | Very low | 37.4 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | cis | -173.9 | 156.6 | -19.7 | -92.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 228 | T | 34 | Very low | 37.1 | Very low | 153 Ų | 153 | 126 Ų | 126 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -151.2 | 165.4 | 159.6 | -11.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 229 | S | 39.3 | Very low | 36.9 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -137.3 | 155 | -159.2 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 230 | T | 32.3 | Very low | 36.6 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 93% | 0.933 | 81% | 0.805 | S | S | * | * | trans | -158.3 | 156.9 | 158.5 | 16.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 231 | A | 32.6 | Very low | 36.6 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -152.2 | 172.7 | -179 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 232 | S | 37.1 | Very low | 37.6 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | cis | -131.8 | -144.2 | 14.6 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 233 | S | 39.1 | Very low | 37.6 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | cis | -157.6 | 158.6 | 15.7 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 234 | Q | 38.1 | Very low | 38.7 | Very low | 187 Ų | 187 | 125.3 Ų | 125.3 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 14 | 151 | 137.4 | -67.8 | 176.6 | -59.7 | 0 | 0 | 122 | ||||
| 235 | A | 30.9 | Very low | 40.1 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | cis | -172.2 | 164.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 236 | S | 36.6 | Very low | 40.2 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 68 | 157.2 | 159.1 | -51.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 237 | Q | 35.1 | Very low | 40.2 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | cis | -153.8 | 143.8 | 19.2 | 57.7 | -142.1 | -13.5 | 0 | 0 | 113 | ||||
| 238 | E | 29.7 | Very low | 39.8 | Very low | 194 Ų | 194 | 126.6 Ų | 126.6 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | 51.1 | 153.9 | 152.5 | -59.1 | 177.8 | 111.2 | 0 | 0 | 119.5 | ||||
| 239 | G | 30.7 | Very low | 39.7 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | 124.2 | 129.4 | 22.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 240 | S | 32.6 | Very low | 39.4 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | cis | -158.7 | 177.1 | 25.5 | -179 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 241 | S | 49.1 | Very low | 39.7 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -92.8 | -177.2 | 161.5 | -130.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 242 | P | 55.8 | Low | 40.2 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -146.7 | -163.5 | 28.2 | 44.8 | -22.5 | 0 | 0 | 0 | 118.2 | ||||
| 243 | E | 33 | Very low | 40.4 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -116.3 | -176.1 | 171.6 | -126.9 | -172 | 66.5 | 0 | 0 | 109.4 | ||||
| 244 | P | 60.3 | Low | 40.6 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | cis | -127.2 | -116 | -16 | 23.6 | 3.8 | 0 | 0 | 0 | 115.9 | ||||
| 245 | P | 68 | Low | 40.4 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | -123.8 | -168.5 | -119 | 44.4 | -25.3 | 0 | 0 | 0 | 115 | |||||
| 246 | P | 53.7 | Low | 41 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | -153.3 | 160.4 | 84 | 39.6 | -19.3 | 0 | 0 | 0 | 119.3 | |||||
| 247 | E | 33.9 | Very low | 40.9 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 8.5 | 152.5 | 143.9 | -42.5 | -170.2 | 128.1 | 0 | 0 | 121.4 | ||||
| 248 | S | 33.9 | Very low | 41.1 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | -173.5 | 156.7 | 62.8 | -85.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 249 | H | 32.7 | Very low | 41.4 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -10.2 | 151.2 | 163 | -37.6 | -70 | 0 | 0 | 0 | 123.8 | ||||
| 250 | S | 32 | Very low | 41.7 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | -163.6 | 165.2 | 113.6 | -161.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 251 | S | 38.2 | Very low | 41.8 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -132.3 | 141.8 | -172.6 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 252 | S | 44.3 | Very low | 41.1 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -162.5 | 133.7 | 163.7 | -147.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 253 | L | 40.3 | Very low | 40 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | 73.8 | 143.2 | 18.9 | -120 | 175.2 | 0 | 0 | 0 | 114.2 | ||||
| 254 | A | 43.3 | Very low | 40.1 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | 64.7 | 124 | -148.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 255 | D | 34.7 | Very low | 39 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | 68 | 107.7 | 44.5 | -58.7 | -72.1 | 0 | 0 | 0 | 113.1 | ||||
| 256 | H | 43 | Very low | 37.4 | Very low | 189 Ų | 189 | 128.8 Ų | 128.8 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | -170.4 | 130.2 | 115.6 | -108.5 | -74.4 | 0 | 0 | 0 | 113.2 | |||||
| 257 | E | 34.3 | Very low | 36.6 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 145.7 | 166.4 | -178 | -169 | 135.4 | 0 | 0 | 110.9 | T259 | E257-T259 PolarHBondContact OE1-OG1 3.09Š| ||
| 258 | Y | 39.7 | Very low | 36.8 | Very low | 217 Ų | 217 | 128.9 Ų | 128.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -121 | 114.4 | 158.7 | -175.6 | -99.8 | 0 | 0 | 0 | 111.5 | ||||
| 259 | T | 36.8 | Very low | 36.9 | Very low | 94 Ų | 94 | 129 Ų | 129 | 58% | 0.577 | 78% | 0.782 | S | S | * | * | trans | -77.7 | 135.6 | -178.2 | -44 | 0 | 0 | 0 | 0 | 112.1 | E257 | E257-T259 PolarHBondContact OE1-OG1 3.09Š| ||
| 260 | A | 37 | Very low | 37.1 | Very low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -137 | 126.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 261 | A | 33.9 | Very low | 37.5 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -75.3 | 151.9 | -161 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 262 | G | 34.6 | Very low | 37.5 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -158.2 | 65.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 263 | T | 33.1 | Very low | 37.4 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -74.8 | 125.7 | -172.5 | 43.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 264 | F | 35.3 | Very low | 37.7 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -152.4 | 164.3 | 136.6 | -157.6 | -111.6 | 0 | 0 | 0 | 112.3 | ||||
| 265 | T | 37.1 | Very low | 38.3 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | trans | -75.9 | 162.1 | -177.6 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 266 | G | 32.8 | Very low | 38.6 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | cis | 164.4 | -167.5 | -1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 267 | A | 37.8 | Very low | 38.5 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | 76.3 | 105.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 268 | Q | 38.8 | Very low | 39 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | 46.3 | 111.4 | 129.8 | -54.1 | -111.3 | -60.8 | 0 | 0 | 118.8 | |||||
| 269 | A | 35.2 | Very low | 39.1 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 77.3 | 125 | 64.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 270 | G | 37.8 | Very low | 39.6 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 154.7 | 87 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 271 | R | 39.3 | Very low | 40.2 | Very low | 253 Ų | 253 | 132.1 Ų | 132.1 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | trans | -97 | 122.5 | 167.7 | -72.8 | -176.4 | 175.8 | -161.9 | 0.7 | 110.3 | ||||
| 272 | T | 38.1 | Very low | 40.9 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | -144.7 | 153.1 | 146.7 | 65.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 273 | S | 42.3 | Very low | 41.3 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -153.1 | 111.4 | 177.4 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 274 | Q | 46.2 | Very low | 41.7 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -147.2 | 147.8 | 165.6 | -80.8 | -56 | -64.3 | 0 | 0 | 110.5 | ||||
| 275 | P | 57.7 | Low | 42 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | trans | -104 | 159.7 | -178.2 | 39.2 | -33.3 | 0 | 0 | 0 | 113.3 | ||||
| 276 | M | 39.7 | Very low | 42.4 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 98% | 0.975 | 84% | 0.835 | S | S | * | * | trans | -159.9 | 155.2 | 156.3 | -121.9 | 175.2 | 177.4 | 0 | 0 | 113.7 | ||||
| 277 | A | 40.8 | Very low | 43.1 | Very low | 87 Ų | 87 | 150.4 Ų | 150.4 | 72% | 0.719 | 83% | 0.834 | S | S | * | * | trans | -148.4 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 278 | P | 46 | Very low | 42.9 | Very low | 123 Ų | 123 | 151.8 Ų | 151.8 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | cis | -136.8 | 163.5 | 5.6 | 41.6 | -25 | 0 | 0 | 0 | 116.7 | ||||
| 279 | G | 41 | Very low | 42.8 | Very low | 73 Ų | 73 | 147.5 Ų | 147.5 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | 75.2 | 136.5 | 141.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 280 | V | 47.7 | Very low | 42.9 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | -176.2 | 141.9 | 128.8 | 143.8 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 281 | F | 48.5 | Very low | 43 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | trans | -76.6 | 145.9 | 173.5 | -81.8 | -119.1 | 0 | 0 | 0 | 110.8 | ||||
| 282 | L | 48.3 | Very low | 43.8 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -150.6 | 127.8 | 137.7 | -138.9 | 70.6 | 0 | 0 | 0 | 112.9 | ||||
| 283 | T | 43.3 | Very low | 43.7 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | -95 | 136.1 | 174.1 | -76.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 284 | Q | 41.8 | Very low | 43.5 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -168.6 | 166.3 | 132.5 | -109.8 | 167.9 | 106.5 | 0 | 0 | 115.5 | ||||
| 285 | R | 42.6 | Very low | 43.3 | Very low | 236 Ų | 236 | 141.9 Ų | 141.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -96.4 | 159.6 | -179.3 | -56.5 | 176.2 | -178.3 | -163.2 | -0.6 | 110.3 | ||||
| 286 | R | 45.1 | Very low | 42.5 | Very low | 256 Ų | 256 | 143.9 Ų | 143.9 | 97% | 0.966 | 82% | 0.817 | S | S | * | * | trans | -126.8 | 105.3 | 174.3 | -164.2 | 179.7 | -163.7 | -124.6 | 5.4 | 112.5 | ||||
| 287 | P | 47.5 | Very low | 42.6 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | trans | -121.8 | 140.8 | 166.3 | 36.7 | -25.6 | 0 | 0 | 0 | 112.8 | ||||
| 288 | S | 34.1 | Very low | 42.8 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | -175.1 | 161.3 | 159.7 | -99.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 289 | A | 36.5 | Very low | 42.6 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | 69.4 | 138.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 290 | S | 36.4 | Very low | 42.8 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | cis | -162.7 | 162.4 | -21.7 | 41.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 291 | S | 40.9 | Very low | 43.3 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -77.2 | 177.5 | 176.7 | -123.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 292 | P | 55.4 | Low | 43 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | cis | -143.5 | 144.8 | 38 | 39.5 | -18.2 | 0 | 0 | 0 | 120.7 | ||||
| 293 | N | 36.8 | Very low | 43.2 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 66% | 0.658 | 82% | 0.823 | S | S | * | * | 34 | 127.4 | 126.6 | -169 | 30.7 | 0 | 0 | 0 | 122.3 | |||||
| 294 | N | 37.7 | Very low | 43.9 | Very low | 157 Ų | 157 | 152.8 Ų | 152.8 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | trans | -148.6 | 152.6 | 131.2 | -157.6 | -6.2 | 0 | 0 | 0 | 111.3 | ||||
| 295 | N | 40.8 | Very low | 44.7 | Very low | 128 Ų | 128 | 153.3 Ų | 153.3 | 68% | 0.684 | 83% | 0.832 | S | S | * | * | trans | -99 | 145.7 | -177 | -89.8 | -58.9 | 0 | 0 | 0 | 113 | ||||
| 296 | T | 41.9 | Very low | 45.3 | Very low | 151 Ų | 151 | 145 Ų | 145 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | trans | -162.2 | 141.4 | 145.6 | 12.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 297 | A | 42.1 | Very low | 46 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -104.1 | 132.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 298 | A | 43.4 | Very low | 46.7 | Very low | 103 Ų | 103 | 139 Ų | 139 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -149.1 | 144.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 299 | K | 43.7 | Very low | 48.4 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 97% | 0.97 | 79% | 0.788 | S | S | * | * | trans | -68.3 | 133.1 | 179.2 | -67.4 | 171 | 179 | 169.8 | 0 | 110.9 | ||||
| 300 | G | 45 | Very low | 49.4 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | -173.6 | 98.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R302 | G300-R302 PolarHBondContact O-N 2.81Š| ||
| 301 | K | 56.8 | Low | 50.7 | Low | 213 Ų | 213 | 138.8 Ų | 138.8 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | trans | -70.2 | 78 | 168.2 | -69.2 | -179.5 | 179.7 | 177.4 | 0 | 109.9 | T303 | K301-T303 PolarHBondContact O-N 2.87Š| ||
| 302 | R | 42.1 | Very low | 51.9 | Low | 245 Ų | 245 | 139.4 Ų | 139.4 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -66.7 | 91.5 | 175.4 | -86.2 | 172.4 | 60.1 | 170.3 | -4.8 | 110.1 | G300 | G300-R302 PolarHBondContact O-N 2.81Š| ||
| 303 | T | 53.9 | Low | 52.2 | Low | 126 Ų | 126 | 142.4 Ų | 142.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -54.8 | 143.7 | 168.4 | 47.7 | 0 | 0 | 0 | 0 | 110.1 | K301 K305 | K301-T303 PolarHBondContact O-N 2.87Å; T303-K305 PolarHBondContact O-N 2.9Å | ||
| 304 | K | 57.3 | Low | 53.5 | Low | 209 Ų | 209 | 141.2 Ų | 141.2 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -62.6 | 103.5 | -178.5 | -170 | 170.8 | -176.1 | 173.8 | 0 | 108.6 | G306 | K304-G306 PolarHBondContact O-N 3.1Š| ||
| 305 | K | 58.2 | Low | 54.8 | Low | 201 Ų | 201 | 135.6 Ų | 135.6 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -55.9 | 103.6 | -173.9 | -173.7 | 174.1 | -177 | 176 | 0 | 109.5 | T303 M307 | T303-K305 PolarHBondContact O-N 2.9Å; K305-M307 PolarHBondContact O-N 3.23Å | ||
| 306 | G | 55.9 | Low | 55.8 | Low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | trans | -55.8 | 138.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K304 A308 | K304-G306 PolarHBondContact O-N 3.1Å; G306-A308 VanDerWaalsContact C-N 3.35Å; G306-A308 PolarHBondContact O-N 2.88Å | ||
| 307 | M | 58.9 | Low | 56.7 | Low | 189 Ų | 189 | 135 Ų | 135 | 93% | 0.931 | 72% | 0.717 | S | S | * | * | trans | -68.2 | 95.1 | 178 | -161.6 | 172.5 | -166.2 | 0 | 0 | 108 | K305 T309 | K305-M307 PolarHBondContact O-N 3.23Å; M307-T309 PolarHBondContact O-N 3.02Å; M307-T309 VanDerWaalsContact O-N 3.1Å | ||
| 308 | A | 62 | Low | 57.6 | Low | 50 Ų | 50 | 135.5 Ų | 135.5 | 41% | 0.413 | 70% | 0.704 | S | S | . | * | trans | -55.3 | 118.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | G306 Q312 | G306-A308 VanDerWaalsContact C-N 3.35Å; G306-A308 PolarHBondContact O-N 2.88Å; A308-Q312 HydrophobicContact CB-CB 4.46Å | ||
| 309 | T | 71.6 | Confident | 58.4 | Low | 87 Ų | 87 | 137.8 Ų | 137.8 | 53% | 0.534 | 70% | 0.695 | S | S | . | * | trans | -59.7 | 151.5 | -173.4 | 58 | 0 | 0 | 0 | 0 | 110.1 | M307 K311 Q312 R313 | M307-T309 PolarHBondContact O-N 3.02Å; M307-T309 VanDerWaalsContact O-N 3.1Å; T309-K311 PolarHBondContact O-N 3.48Å; T309-Q312 WeakPolarHBondContact O-CA 3.48Å; T309-Q312 WeakPolarHBondContact O-CB 3.47Å; T309-Q312 PolarHBondContact O-N 2.91Å; T309-R313 PolarHBondContact O-N 3.02Å | ||
| 310 | A | 57.3 | Low | 59 | Low | 71 Ų | 71 | 133.2 Ų | 133.2 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -50.9 | -37.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q312 R313 L314 | A310-Q312 VanDerWaalsContact C-N 3.32Å; A310-Q312 PolarHBondContact O-N 3.32Å; A310-R313 PolarHBondContact O-N 3.38Å; A310-L314 WeakPolarHBondContact O-CB 3.37Å; A310-L314 WeakPolarHBondContact O-CG 3.45Å; A310-L314 PolarHBondContact O-N 3.29Å |
| 311 | K | 63.3 | Low | 59.6 | Low | 180 Ų | 180 | 137.8 Ų | 137.8 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -56.8 | -36.3 | 174.8 | -159 | 167.1 | -173.6 | 172.5 | 0 | 113.7 | T309 G315 | T309-K311 PolarHBondContact O-N 3.48Å; K311-G315 PolarHBondContact O-N 2.73Å |
| 312 | Q | 65.3 | Low | 59.8 | Low | 122 Ų | 122 | 138 Ų | 138 | 57% | 0.57 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.5 | -25.7 | 174.7 | -69.6 | -176.4 | -27 | 0 | 0 | 113.6 | A308 T309 A310 | A308-Q312 HydrophobicContact CB-CB 4.46Å; T309-Q312 WeakPolarHBondContact O-CA 3.48Å; T309-Q312 WeakPolarHBondContact O-CB 3.47Å; T309-Q312 PolarHBondContact O-N 2.91Å; A310-Q312 VanDerWaalsContact C-N 3.32Å; A310-Q312 PolarHBondContact O-N 3.32Å |
| 313 | R | 61.9 | Low | 60.7 | Low | 180 Ų | 180 | 132.4 Ų | 132.4 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -80.1 | -48.8 | 174.8 | -59.2 | -175.6 | 76.3 | -175.5 | 1.8 | 110.5 | T309 A310 G315 K316 I317 | T309-R313 PolarHBondContact O-N 3.02Å; A310-R313 PolarHBondContact O-N 3.38Å; R313-G315 PolarHBondContact O-N 2.97Å; R313-K316 PolarHBondContact O-N 3.41Å; R313-I317 PolarHBondContact O-N 3.31Å |
| 314 | L | 63.4 | Low | 61.1 | Low | 99 Ų | 99 | 129.6 Ų | 129.6 | 52% | 0.518 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -58.1 | -44.6 | 174.4 | -69.2 | 170 | 0 | 0 | 0 | 112 | A310 K316 I317 L318 | A310-L314 WeakPolarHBondContact O-CB 3.37Å; A310-L314 WeakPolarHBondContact O-CG 3.45Å; A310-L314 PolarHBondContact O-N 3.29Å; L314-K316 PolarHBondContact O-N 3Å; L314-I317 PolarHBondContact O-N 3.13Å; L314-I317 VanDerWaalsContact O-N 3.1Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.83Å |
| 315 | G | 65.1 | Low | 61.2 | Low | 39 Ų | 39 | 128.9 Ų | 128.9 | 40% | 0.402 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -58.9 | -30.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K311 R313 K319 | K311-G315 PolarHBondContact O-N 2.73Å; R313-G315 PolarHBondContact O-N 2.97Å; G315-K319 VanDerWaalsContact O-CB 3.28Å; G315-K319 WeakPolarHBondContact O-CB 3.36Å; G315-K319 PolarHBondContact O-N 3.12Å |
| 316 | K | 63.3 | Low | 61.1 | Low | 163 Ų | 163 | 126.9 Ų | 126.9 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.6 | -37.2 | 174.6 | -73.8 | -172.5 | 175 | -167.6 | 0 | 112.9 | R313 L314 I320 | R313-K316 PolarHBondContact O-N 3.41Å; L314-K316 PolarHBondContact O-N 3Å; K316-I320 WeakPolarHBondContact O-CG1 3.36Å |
| 317 | I | 60.8 | Low | 60.6 | Low | 103 Ų | 103 | 131.9 Ų | 131.9 | 53% | 0.528 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.2 | -49.3 | 176.3 | -64.5 | 159.5 | 0 | 0 | 0 | 110 | R313 L314 K319 I320 H321 | R313-I317 PolarHBondContact O-N 3.31Å; L314-I317 PolarHBondContact O-N 3.13Å; L314-I317 VanDerWaalsContact O-N 3.1Å; I317-K319 VanDerWaalsContact C-N 3.29Å; I317-K319 PolarHBondContact O-N 3.17Å; I317-I320 WeakPolarHBondContact O-CB 3.31Å; I317-I320 PolarHBondContact O-N 3.35Å; I317-H321 PolarHBondContact O-N 3.14Å |
| 318 | L | 60 | Low | 59.9 | Low | 118 Ų | 118 | 134 Ų | 134 | 62% | 0.618 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.4 | -27.5 | 179.9 | -68.3 | 168.1 | 0 | 0 | 0 | 113.4 | L314 I320 H321 R322 | L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.83Å; L318-I320 VanDerWaalsContact C-N 3.29Å; L318-I320 PolarHBondContact O-N 2.89Å; L318-H321 PolarHBondContact O-N 3.49Å; L318-R322 PolarHBondContact O-N 2.92Å |
| 319 | K | 59.8 | Low | 59.8 | Low | 150 Ų | 150 | 138.3 Ų | 138.3 | 65% | 0.652 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.6 | -27.6 | 175.8 | -164.5 | 69.4 | 172.5 | 179.8 | 0 | 112.6 | G315 I317 | G315-K319 VanDerWaalsContact O-CB 3.28Å; G315-K319 WeakPolarHBondContact O-CB 3.36Å; G315-K319 PolarHBondContact O-N 3.12Å; I317-K319 VanDerWaalsContact C-N 3.29Å; I317-K319 PolarHBondContact O-N 3.17Å |
| 320 | I | 58.1 | Low | 59.2 | Low | 127 Ų | 127 | 140.9 Ų | 140.9 | 65% | 0.651 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -71 | -46.2 | 173.9 | -58.1 | 161.2 | 0 | 0 | 0 | 109.4 | K316 I317 L318 R322 N323 | K316-I320 WeakPolarHBondContact O-CG1 3.36Å; I317-I320 WeakPolarHBondContact O-CB 3.31Å; I317-I320 PolarHBondContact O-N 3.35Å; L318-I320 VanDerWaalsContact C-N 3.29Å; L318-I320 PolarHBondContact O-N 2.89Å; I320-R322 PolarHBondContact O-N 2.89Å; I320-N323 PolarHBondContact O-N 2.84Å |
| 321 | H | 55.9 | Low | 59.3 | Low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -60.9 | -17.7 | -178.2 | -113.5 | -85.5 | 0 | 0 | 0 | 115.4 | I317 L318 | I317-H321 PolarHBondContact O-N 3.14Å; L318-H321 PolarHBondContact O-N 3.49Å |
| 322 | R | 61.8 | Low | 59.1 | Low | 218 Ų | 218 | 142.8 Ų | 142.8 | 82% | 0.823 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -12 | 177.2 | -165.3 | 163.8 | 178.9 | 124.8 | -1.5 | 113.9 | L318 I320 | L318-R322 PolarHBondContact O-N 2.92Å; I320-R322 PolarHBondContact O-N 2.89Å |
| 323 | N | 60.5 | Low | 58.7 | Low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -106.3 | 59.2 | 177.4 | -69.6 | 17.3 | 0 | 0 | 0 | 109.3 | I320 K325 | I320-N323 PolarHBondContact O-N 2.84Å; N323-K325 PolarHBondContact O-N 2.94Å; N323-K325 VanDerWaalsContact O-N 3.15Å |
| 324 | G | 62.4 | Low | 58.5 | Low | 66 Ų | 66 | 141.7 Ų | 141.7 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | trans | -56.9 | 113.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 325 | K | 59.2 | Low | 58.1 | Low | 195 Ų | 195 | 144.7 Ų | 144.7 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -148.1 | 97.1 | 158.1 | -135.6 | 175 | -172.8 | 180 | 0 | 108.4 | N323 | N323-K325 PolarHBondContact O-N 2.94Å; N323-K325 VanDerWaalsContact O-N 3.15Å | ||
| 326 | L | 55.9 | Low | 57.6 | Low | 159 Ų | 159 | 152.8 Ų | 152.8 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -67.4 | 132.1 | 163.4 | -88.2 | 81.8 | 0 | 0 | 0 | 107.8 | ||||
| 327 | L | 45.4 | Very low | 57.1 | Low | 165 Ų | 165 | 152 Ų | 152 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -112.2 | 140.1 | 147.6 | -76.1 | 165 | 0 | 0 | 0 | 105.8 | ||||
| 328 | L | 45.4 | Very low | 56.8 | Low | 235 Ų | 235 | 156.5 Ų | 156.5 | 100% | 1.23 | 78% | 0.784 | S | S | * | * | trans | -72.4 | 0 | 163.4 | -85.7 | 64.2 | 0 | 0 | 0 | 108.9 |
Retrieved 328 of 328 residues in 111.3 ms
(Link to these results)