| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.2 | Very low | 32.4 | Very low | 250 Ų | 250 | 154.1 Ų | 154.1 | 100% | 1.232 | 87% | 0.868 | S | S | * | * | 0 | 92.2 | 0 | -71.6 | -174.1 | -163.4 | 0 | 0 | 107.9 | |||||
| 2 | A | 28.2 | Very low | 34.7 | Very low | 96 Ų | 96 | 160.8 Ų | 160.8 | 79% | 0.793 | 87% | 0.87 | S | S | * | * | trans | -105.6 | 116.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | H4 | A2-H4 PolarHBondContact O-N 3.47Š| ||
| 3 | T | 27.2 | Very low | 38.2 | Very low | 137 Ų | 137 | 159.5 Ų | 159.5 | 84% | 0.84 | 84% | 0.844 | S | S | * | * | trans | -69.9 | 108.6 | 178.5 | 31.6 | 0 | 0 | 0 | 0 | 109.5 | H5 | T3-H5 PolarHBondContact O-N 3.48Š| ||
| 4 | H | 29.8 | Very low | 42 | Very low | 189 Ų | 189 | 155.9 Ų | 155.9 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -62.5 | 105 | 164.7 | -85.5 | -78.8 | 0 | 0 | 0 | 109.1 | A2 R6 | A2-H4 PolarHBondContact O-N 3.47Å; H4-R6 VanDerWaalsContact C-N 3.35Å; H4-R6 PolarHBondContact O-N 2.91Å | ||
| 5 | H | 29.3 | Very low | 45.6 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -66 | 98.1 | 160.7 | -99.9 | -48.3 | 0 | 0 | 0 | 108.4 | T3 Q7 | T3-H5 PolarHBondContact O-N 3.48Å; H5-Q7 VanDerWaalsContact C-N 3.34Å; H5-Q7 PolarHBondContact O-N 3.02Å | ||
| 6 | R | 31.8 | Very low | 48.9 | Very low | 235 Ų | 235 | 141 Ų | 141 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | -56.5 | 101.8 | 154.9 | -91.8 | -178.9 | 172.4 | 175.7 | -2.3 | 107 | H4 N8 | H4-R6 VanDerWaalsContact C-N 3.35Å; H4-R6 PolarHBondContact O-N 2.91Å; R6-N8 PolarHBondContact O-N 3.08Å | ||
| 7 | Q | 32.7 | Very low | 51.8 | Low | 175 Ų | 175 | 132.8 Ų | 132.8 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -61.2 | 126.3 | 161.7 | -79.9 | -178.3 | -7.1 | 0 | 0 | 107.7 | H5 A9 | H5-Q7 VanDerWaalsContact C-N 3.34Å; H5-Q7 PolarHBondContact O-N 3.02Å; Q7-A9 PolarHBondContact O-N 3.37Å | ||
| 8 | N | 29 | Very low | 54.4 | Low | 154 Ų | 154 | 126.3 Ų | 126.3 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | trans | -46.1 | 119.9 | 175.5 | -82 | -28.8 | 0 | 0 | 0 | 111.3 | R6 A10 | R6-N8 PolarHBondContact O-N 3.08Å; N8-A10 PolarHBondContact O-N 2.99Å | ||
| 9 | A | 36.2 | Very low | 56.7 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 93% | 0.934 | 63% | 0.629 | S | S | * | * | trans | -75.3 | 49.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q7 | Q7-A9 PolarHBondContact O-N 3.37Š| ||
| 10 | A | 35.1 | Very low | 58.8 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 75% | 0.752 | 60% | 0.602 | S | S | * | * | trans | -111.9 | 102.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | N8 | N8-A10 PolarHBondContact O-N 2.99Š| ||
| 11 | G | 45 | Very low | 60.7 | Low | 73 Ų | 73 | 109.2 Ų | 109.2 | 75% | 0.753 | 58% | 0.575 | S | S | * | * | trans | 115 | 12.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119 | R13 | G11-R13 PolarHBondContact O-N 3.22Š| ||
| 12 | R | 60.4 | Low | 63.9 | Low | 235 Ų | 235 | 98.5 Ų | 98.5 | 89% | 0.887 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 123.2 | 168.2 | -76.7 | -171.7 | -178.3 | -179.5 | 0.6 | 109.3 | ||
| 13 | R | 79.9 | Confident | 67.2 | Low | 143 Ų | 143 | 99.1 Ų | 99.1 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 147.1 | 175.2 | -67.7 | 174.1 | 177 | -159.5 | 5.2 | 109.1 | G11 E524 A525 | G11-R13 PolarHBondContact O-N 3.22Å; R13-E524 HydrophobicContact CB-CB 4.01Å; R13-E524 HydrophobicContact CB-CG 4.3Å; R13-A525 WeakPolarHBondContact CD-O 3.32Å |
| 14 | K | 91.3 | Very high | 70.6 | Confident | 109 Ų | 109 | 97.3 Ų | 97.3 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 138.1 | 176.8 | -66.8 | -170.6 | 171.9 | -138.9 | 0 | 110.1 | E439 A525 | K14-E439 IonicContact NZ-OE2 3.14Å; K14-E439 PolarHBondContact NZ-OE2 3.41Å; K14-A525 PolarHBondContact O-N 3.05Å |
| 15 | V | 96.3 | Very high | 73.8 | Confident | 28 Ų | 28 | 92.4 Ų | 92.4 | 17% | 0.17 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.2 | 177.1 | -179 | 0 | 0 | 0 | 0 | 108.9 | F522 G523 L530 P552 W554 | V15-F522 HydrophobicContact CG1-CB 4.39Å; V15-G523 CarbonylContact C-O 3.58Å; V15-G523 WeakPolarHBondContact CA-O 3.42Å; V15-L530 HydrophobicContact CG1-CD1 4.07Å; V15-L530 HydrophobicContact CG2-CD1 3.75Å; V15-P552 HydrophobicContact CB-CB 4.07Å; V15-P552 HydrophobicContact CB-CG 4.07Å; V15-P552 HydrophobicContact CG1-CB 4.5Å; V15-P552 HydrophobicContact CG1-CG 4.08Å; V15-W554 PolarHBondContact O-NE1 2.98Å |
| 16 | Q | 97.8 | Very high | 77.1 | Confident | 46 Ų | 46 | 84.3 Ų | 84.3 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 151 | 177.2 | -60.8 | -179.9 | -47.4 | 0 | 0 | 109.7 | T436 L437 D438 G523 A525 | Q16-T436 HydrophobicContact CB-CG2 3.93Å; Q16-T436 HydrophobicContact CG-CG2 4.4Å; Q16-L437 WeakPolarHBondContact CA-O 3.33Å; Q16-D438 WeakPolarHBondContact CG-OD2 3.34Å; Q16-D438 PolarHBondContact NE2-OD2 2.71Å; Q16-G523 PolarHBondContact N-O 2.76Å; Q16-G523 PolarHBondContact O-N 2.87Å; Q16-G523 VanDerWaalsContact O-N 3.12Å; Q16-A525 HydrophobicContact CG-CB 4.47Å |
| 17 | V | 98.6 | Very high | 80.3 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.012 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126 | 171.9 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | L437 L471 L474 V520 I521 F522 W554 V555 | V17-L437 HydrophobicContact CB-CB 4.42Å; V17-L437 PolarHBondContact N-O 2.77Å; V17-L437 VanDerWaalsContact N-O 3.12Å; V17-L437 PolarHBondContact O-N 3.41Å; V17-L471 HydrophobicContact CB-CD2 4.28Å; V17-L471 HydrophobicContact CG1-CD2 4.25Å; V17-L471 HydrophobicContact CG2-CD2 4.16Å; V17-L474 HydrophobicContact CG1-CD1 4.27Å; V17-V520 HydrophobicContact CG1-CG1 4.2Å; V17-I521 CarbonylContact C-O 3.5Å; V17-I521 WeakPolarHBondContact CA-O 3.45Å; V17-F522 HydrophobicContact CG1-CE1 4.22Å; V17-F522 HydrophobicContact CG2-CD1 3.94Å; V17-F522 HydrophobicContact CG2-CE1 3.72Å; V17-W554 HydrophobicContact CG2-CH2 4.19Å; V17-W554 HydrophobicContact CG2-CZ2 3.99Å; V17-V555 HydrophobicContact CG2-CG2 3.76Å |
| 18 | S | 98.8 | Very high | 83.4 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 11% | 0.112 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152.4 | 175.2 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | I435 T436 I521 | S18-I435 CarbonylContact C-O 3.46Å; S18-I435 WeakPolarHBondContact CA-O 3.5Å; S18-I435 WeakPolarHBondContact CB-O 3.38Å; S18-T436 WeakPolarHBondContact OG-CB 3.33Å; S18-T436 WeakPolarHBondContact OG-CG2 3.49Å; S18-T436 PolarHBondContact OG-OG1 2.78Å; S18-I521 PolarHBondContact N-O 3.26Å; S18-I521 PolarHBondContact O-N 3.46Å |
| 19 | Y | 98.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 159.6 | 171.7 | 68.2 | -78.2 | 0 | 0 | 0 | 111.2 | I21 V393 A396 T434 I435 L470 L474 T518 P519 | Y19-I21 HydrophobicContact CD2-CG1 4.29Å; Y19-I21 HydrophobicContact CE2-CD1 4.25Å; Y19-I21 HydrophobicContact CE2-CG1 3.84Å; Y19-V393 WeakPolarHBondContact OH-CG1 3.34Å; Y19-V393 PolarHBondContact OH-O 2.83Å; Y19-A396 HydrophobicContact CD2-CB 3.97Å; Y19-A396 HydrophobicContact CE2-CB 3.53Å; Y19-T434 WeakPolarHBondContact O-CA 3.37Å; Y19-I435 HydrophobicContact CD1-CB 3.96Å; Y19-I435 HydrophobicContact CD1-CG2 4.38Å; Y19-I435 HydrophobicContact CE1-CB 3.37Å; Y19-I435 HydrophobicContact CE1-CG1 4.09Å; Y19-I435 HydrophobicContact CE1-CG2 3.46Å; Y19-I435 VanDerWaalsContact CE1-CG2 3.46Å; Y19-I435 HydrophobicContact CE2-CB 4.15Å; Y19-I435 HydrophobicContact CE2-CG1 3.97Å; Y19-I435 PolarHBondContact N-O 3.09Å; Y19-I435 PolarHBondContact O-N 3.33Å; Y19-L470 HydrophobicContact CE1-CD1 4.5Å; Y19-L470 HydrophobicContact CE1-CD2 3.57Å; Y19-L470 HydrophobicContact CE1-CG 4.43Å; Y19-L470 WeakPolarHBondContact OH-CD2 3.34Å; Y19-L474 HydrophobicContact CD1-CD1 3.95Å; Y19-L474 HydrophobicContact CD1-CD2 4.22Å; Y19-L474 HydrophobicContact CD2-CD2 4.33Å; Y19-L474 HydrophobicContact CE1-CD1 4.5Å; Y19-L474 HydrophobicContact CG-CD1 4.42Å; Y19-L474 HydrophobicContact CG-CD2 3.9Å; Y19-T518 HydrophobicContact CD2-CG2 3.89Å; Y19-T518 HydrophobicContact CG-CG2 4.32Å; Y19-P519 WeakPolarHBondContact CA-O 3.42Å; Y19-P519 VanDerWaalsContact CB-O 3.29Å; Y19-P519 WeakPolarHBondContact CB-O 3.48Å |
| 20 | V | 98.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.4 | -175.6 | -172.2 | 0 | 0 | 0 | 0 | 110 | R22 M432 L433 T434 P519 I521 | V20-R22 HydrophobicContact CB-CG 4.43Å; V20-R22 HydrophobicContact CG1-CB 4.24Å; V20-R22 HydrophobicContact CG1-CG 4.04Å; V20-R22 PolarHBondContact O-N 2.85Å; V20-M432 HydrophobicContact CG1-CB 4.04Å; V20-M432 HydrophobicContact CG1-CE 4.41Å; V20-M432 HydrophobicContact CG1-SD 4.42Å; V20-L433 WeakPolarHBondContact CA-O 3.29Å; V20-T434 HydrophobicContact CG2-CG2 4.25Å; V20-P519 HydrophobicContact CB-CG 4.33Å; V20-P519 PolarHBondContact N-O 3.23Å; V20-I521 HydrophobicContact CG2-CD1 4.27Å |
| 21 | I | 98.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.7 | 172.8 | -55.3 | 176.9 | 0 | 0 | 0 | 108 | Y19 W391 A396 L433 I435 | Y19-I21 HydrophobicContact CD2-CG1 4.29Å; Y19-I21 HydrophobicContact CE2-CD1 4.25Å; Y19-I21 HydrophobicContact CE2-CG1 3.84Å; I21-W391 HydrophobicContact CG2-CE3 3.74Å; I21-W391 HydrophobicContact CG2-CZ3 3.88Å; I21-A396 HydrophobicContact CG1-CB 4.24Å; I21-L433 HydrophobicContact CB-CB 4.11Å; I21-L433 PolarHBondContact N-O 2.78Å; I21-I435 HydrophobicContact CD1-CD1 4.47Å; I21-I435 HydrophobicContact CD1-CG1 4.08Å; I21-I435 HydrophobicContact CG1-CG1 4.39Å |
| 22 | R | 98.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 9% | 0.094 | 24% | 0.241 | C | C | . | . | trans | -158.1 | 169.9 | -174 | 57.6 | 171.2 | -77.3 | -166.6 | -8.1 | 112.1 | V20 E24 E26 E72 M432 H517 | V20-R22 HydrophobicContact CB-CG 4.43Å; V20-R22 HydrophobicContact CG1-CB 4.24Å; V20-R22 HydrophobicContact CG1-CG 4.04Å; V20-R22 PolarHBondContact O-N 2.85Å; R22-E24 PolarHBondContact NH2-O 2.98Å; R22-E24 VanDerWaalsContact NH2-O 3.09Å; R22-E26 HydrophobicContact CB-CG 4.25Å; R22-E26 WeakPolarHBondContact CB-OE1 3.4Å; R22-E72 IonicContact CZ-OE1 2.85Å; R22-E72 IonicContact CZ-OE2 3.19Å; R22-E72 VanDerWaalsContact NH1-CD 3.32Å; R22-E72 IonicContact NH1-OE1 3.59Å; R22-E72 PolarHBondContact NH1-OE1 3.1Å; R22-E72 IonicContact NH1-OE2 3.55Å; R22-E72 PolarHBondContact NH1-OE2 2.7Å; R22-E72 IonicContact NH2-OE1 2.64Å; R22-E72 PolarHBondContact NH2-OE1 3.1Å; R22-E72 IonicContact NH2-OE2 2.76Å; R22-E72 PolarHBondContact NH2-OE2 2.92Å; R22-M432 HydrophobicContact CB-SD 4.08Å; R22-H517 PolarHBondContact O-NE2 2.89Å | ||
| 23 | D | 98.1 | Very high | 97.1 | Very high | 109 Ų | 109 | 42.3 Ų | 42.3 | 58% | 0.583 | 20% | 0.198 | S | C | * | . | trans | -75.3 | 159.2 | 166.9 | -64.5 | -34.3 | 0 | 0 | 0 | 110.4 | V25 E26 | D23-V25 VanDerWaalsContact C-N 3.31Å; D23-V25 PolarHBondContact O-N 3.42Å; D23-E26 PolarHBondContact N-OE1 3.39Å; D23-E26 VanDerWaalsContact N-OE1 3.08Å | ||
| 24 | E | 97.8 | Very high | 98.1 | Very high | 99 Ų | 99 | 36.2 Ų | 36.2 | 46% | 0.463 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -57.9 | -46.5 | 179.5 | -178.3 | 168.9 | -154.8 | 0 | 0 | 111 | R22 H517 R536 | R22-E24 PolarHBondContact NH2-O 2.98Å; R22-E24 VanDerWaalsContact NH2-O 3.09Å; E24-H517 WeakPolarHBondContact CA-CD2 3.47Å; E24-H517 HydrophobicContact CB-CB 3.98Å; E24-H517 HydrophobicContact CG-CB 3.8Å; E24-H517 PolarHBondContact N-CD2 2.83Å; E24-H517 PolarHBondContact N-NE2 3.27Å; E24-R536 IonicContact OE1-CZ 3.05Å; E24-R536 IonicContact OE1-NH1 3.1Å; E24-R536 PolarHBondContact OE1-NH1 3.23Å; E24-R536 IonicContact OE1-NH2 3.99Å; E24-R536 PolarHBondContact OE1-NH2 2.97Å |
| 25 | V | 97.8 | Very high | 98.4 | Very high | 86 Ų | 86 | 31 Ų | 31 | 52% | 0.521 | 15% | 0.154 | S | C | . | . | trans | -115.9 | 104.1 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | D23 K27 | D23-V25 VanDerWaalsContact C-N 3.31Å; D23-V25 PolarHBondContact O-N 3.42Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 PolarHBondContact O-N 3.39Å | ||
| 26 | E | 98.3 | Very high | 98.5 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 5% | 0.051 | 15% | 0.146 | C | C | . | . | trans | -84.7 | 77.2 | 171.9 | -69 | -68.8 | 173 | 0 | 0 | 109.8 | R22 D23 Y28 R30 I53 R55 M432 | R22-E26 HydrophobicContact CB-CG 4.25Å; R22-E26 WeakPolarHBondContact CB-OE1 3.4Å; D23-E26 PolarHBondContact N-OE1 3.39Å; D23-E26 VanDerWaalsContact N-OE1 3.08Å; E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.37Å; E26-R30 HydrophobicContact CB-CG 4.46Å; E26-R30 IonicContact OE1-NH1 3.25Å; E26-R30 PolarHBondContact OE1-NH1 2.74Å; E26-R30 VanDerWaalsContact OE2-CD 3.23Å; E26-R30 WeakPolarHBondContact OE2-CD 3.36Å; E26-R30 WeakPolarHBondContact OE2-CG 3.4Å; E26-R30 IonicContact OE2-CZ 3.31Å; E26-R30 IonicContact OE2-NE 3.67Å; E26-R30 IonicContact OE2-NH1 2.74Å; E26-R30 PolarHBondContact OE2-NH1 2.73Å; E26-I53 HydrophobicContact CB-CD1 4.18Å; E26-R55 PolarHBondContact O-NE 3.04Å; E26-R55 PolarHBondContact O-NH2 2.98Å; E26-M432 HydrophobicContact CG-SD 4.02Å | ||
| 27 | K | 98.2 | Very high | 98.6 | Very high | 56 Ų | 56 | 29.3 Ų | 29.3 | 24% | 0.243 | 14% | 0.144 | C | C | . | . | trans | -57.1 | -37.4 | -171.2 | -170.9 | -179.9 | -176 | 177.5 | 0 | 114 | V25 R55 W57 D65 Y67 | V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 PolarHBondContact O-N 3.39Å; K27-R55 WeakPolarHBondContact O-CD 3.4Å; K27-R55 PolarHBondContact O-NE 3.26Å; K27-W57 VanDerWaalsContact O-CH2 3.32Å; K27-W57 WeakPolarHBondContact O-CH2 3.46Å; K27-D65 WeakPolarHBondContact CE-OD1 3.4Å; K27-D65 WeakPolarHBondContact CE-OD2 3.45Å; K27-D65 IonicContact NZ-OD1 3.47Å; K27-D65 PolarHBondContact NZ-OD1 3.05Å; K27-D65 IonicContact NZ-OD2 3.74Å; K27-D65 PolarHBondContact NZ-OD2 2.91Å; K27-Y67 HydrophobicContact CD-CD1 4.29Å; K27-Y67 HydrophobicContact CD-CG 4.22Å; K27-Y67 HydrophobicContact CG-CD1 3.83Å; K27-Y67 HydrophobicContact CG-CD2 3.65Å; K27-Y67 HydrophobicContact CG-CE1 4.2Å; K27-Y67 HydrophobicContact CG-CE2 4.05Å; K27-Y67 HydrophobicContact CG-CG 3.53Å; K27-Y67 WeakPolarHBondContact O-CD2 3.29Å | ||
| 28 | Y | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 30.2 Ų | 30.2 | 29% | 0.286 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -107.3 | 153.8 | -178.4 | -53.9 | -69.7 | 0 | 0 | 0 | 110.9 | E26 R30 R55 W57 K362 | E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.37Å; Y28-R30 PolarHBondContact O-N 3.15Å; Y28-R55 PolarHBondContact O-NH2 3.47Å; Y28-W57 HydrophobicContact CD1-CH2 4.04Å; Y28-W57 HydrophobicContact CD1-CZ3 4.34Å; Y28-K362 HydrophobicContact CD1-CB 4.03Å; Y28-K362 VanDerWaalsContact CD1-O 3.26Å; Y28-K362 WeakPolarHBondContact CD1-O 3.36Å; Y28-K362 HydrophobicContact CE1-CB 3.9Å |
| 29 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -56.2 | 130.2 | 173.3 | -58.9 | -63.8 | 0 | 0 | 0 | 109.8 | V33 D51 R55 S323 G364 | N29-V33 HydrophobicContact CB-CG2 4.1Å; N29-V33 WeakPolarHBondContact ND2-CG2 3.28Å; N29-D51 WeakPolarHBondContact CA-OD2 3.46Å; N29-R55 PolarHBondContact OD1-NH1 3.48Å; N29-S323 PolarHBondContact ND2-O 3.19Å; N29-S323 WeakPolarHBondContact O-CB 3.37Å; N29-G364 WeakPolarHBondContact O-CA 3.08Å; N29-G364 PolarHBondContact O-N 2.8Å | ||
| 30 | R | 98.7 | Very high | 98.3 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 15% | 0.151 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -94.4 | -1.3 | 177.9 | -64.1 | -60.4 | -61.5 | -80.6 | -5.6 | 113 | E26 Y28 D51 A365 S366 M432 | E26-R30 HydrophobicContact CB-CG 4.46Å; E26-R30 IonicContact OE1-NH1 3.25Å; E26-R30 PolarHBondContact OE1-NH1 2.74Å; E26-R30 VanDerWaalsContact OE2-CD 3.23Å; E26-R30 WeakPolarHBondContact OE2-CD 3.36Å; E26-R30 WeakPolarHBondContact OE2-CG 3.4Å; E26-R30 IonicContact OE2-CZ 3.31Å; E26-R30 IonicContact OE2-NE 3.67Å; E26-R30 IonicContact OE2-NH1 2.74Å; E26-R30 PolarHBondContact OE2-NH1 2.73Å; Y28-R30 PolarHBondContact O-N 3.15Å; R30-D51 HydrophobicContact CB-CB 3.91Å; R30-D51 PolarHBondContact N-OD2 3.49Å; R30-A365 PolarHBondContact NE-O 3.35Å; R30-A365 PolarHBondContact NH2-O 2.67Å; R30-S366 VanDerWaalsContact O-CA 3.26Å; R30-S366 WeakPolarHBondContact O-CA 3.49Å; R30-S366 WeakPolarHBondContact O-CB 3.46Å; R30-S366 PolarHBondContact O-OG 3.07Å; R30-M432 HydrophobicContact CB-CG 3.98Å; R30-M432 HydrophobicContact CB-SD 4.35Å; R30-M432 HydrophobicContact CG-CG 4.11Å; R30-M432 HydrophobicContact CG-SD 4.1Å |
| 31 | N | 98.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -152.9 | 179.8 | 172.6 | -159 | -15.9 | 0 | 0 | 0 | 109.4 | R50 D51 S323 S366 K429 | N31-R50 HydrophobicContact CB-CB 3.82Å; N31-D51 HydrophobicContact CB-CB 4.25Å; N31-S323 WeakPolarHBondContact O-CA 3.34Å; N31-S366 WeakPolarHBondContact CA-OG 3.31Å; N31-K429 PolarHBondContact ND2-O 2.85Å |
| 32 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -55.6 | 160.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R50 T321 K322 | G32-R50 VanDerWaalsContact O-CB 3.27Å; G32-R50 WeakPolarHBondContact O-CB 3.44Å; G32-R50 WeakPolarHBondContact O-CG 3.39Å; G32-R50 PolarHBondContact O-N 2.95Å; G32-T321 WeakPolarHBondContact CA-O 3.4Å; G32-K322 WeakPolarHBondContact CA-O 3.12Å | ||
| 33 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.8 | -176.7 | 174 | 0 | 0 | 0 | 0 | 109.8 | N29 A35 L36 T47 A48 S319 T320 V325 | N29-V33 HydrophobicContact CB-CG2 4.1Å; N29-V33 WeakPolarHBondContact ND2-CG2 3.28Å; V33-A35 WeakPolarHBondContact CG1-O 3.41Å; V33-L36 HydrophobicContact CG1-CD2 3.86Å; V33-T47 HydrophobicContact CG1-CG2 4.26Å; V33-A48 CarbonylContact C-O 3.52Å; V33-S319 WeakPolarHBondContact O-CB 3.29Å; V33-S319 PolarHBondContact O-OG 2.96Å; V33-T320 PolarHBondContact N-O 3.08Å; V33-T320 VanDerWaalsContact N-O 3.15Å; V33-V325 HydrophobicContact CB-CG2 4.15Å; V33-V325 HydrophobicContact CG1-CG2 4.3Å; V33-V325 HydrophobicContact CG2-CG2 3.8Å |
| 34 | N | 98.9 | Very high | 98 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -29.9 | -173.6 | -73.9 | -36.7 | 0 | 0 | 0 | 113.8 | A48 R50 V78 N79 K303 | N34-A48 PolarHBondContact N-O 3.22Å; N34-R50 VanDerWaalsContact ND2-CG 3.31Å; N34-R50 WeakPolarHBondContact ND2-CG 3.13Å; N34-R50 WeakPolarHBondContact OD1-CG 3.32Å; N34-R50 PolarHBondContact OD1-NE 3.03Å; N34-R50 PolarHBondContact OD1-NH2 3.03Å; N34-V78 VanDerWaalsContact CB-O 3.29Å; N34-V78 WeakPolarHBondContact CB-O 3.46Å; N34-V78 PolarHBondContact ND2-O 2.99Å; N34-N79 WeakPolarHBondContact CB-O 3.17Å; N34-K303 WeakPolarHBondContact O-CB 3.34Å |
| 35 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 157.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V33 A48 D80 I81 | V33-A35 WeakPolarHBondContact CG1-O 3.41Å; A35-A48 HydrophobicContact CB-CB 4.04Å; A35-A48 PolarHBondContact O-N 2.88Å; A35-D80 WeakPolarHBondContact CB-OD1 3.07Å; A35-I81 HydrophobicContact CB-CG1 3.94Å |
| 36 | L | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.5 | -176.4 | -62 | 177.3 | 0 | 0 | 0 | 109.4 | V33 L45 F46 T47 E305 W317 V325 | V33-L36 HydrophobicContact CG1-CD2 3.86Å; L36-L45 HydrophobicContact CB-CD1 4.41Å; L36-L45 HydrophobicContact CD2-CD1 4.47Å; L36-L45 HydrophobicContact CD2-CD2 4.39Å; L36-F46 WeakPolarHBondContact CA-O 3.28Å; L36-T47 HydrophobicContact CD2-CG2 3.71Å; L36-E305 HydrophobicContact CB-CB 3.84Å; L36-E305 HydrophobicContact CD1-CB 4.38Å; L36-W317 HydrophobicContact CD1-CB 3.95Å; L36-V325 HydrophobicContact CD1-CG1 4.32Å; L36-V325 HydrophobicContact CD2-CG1 3.99Å |
| 37 | Q | 98.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 29.4 Ų | 29.4 | 17% | 0.168 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 135.2 | 166.7 | -72.2 | -69 | -76.1 | 0 | 0 | 109.2 | F46 I81 L83 | Q37-F46 HydrophobicContact CB-CB 4.33Å; Q37-F46 PolarHBondContact N-O 2.88Å; Q37-F46 VanDerWaalsContact N-O 3.13Å; Q37-F46 PolarHBondContact O-N 2.84Å; Q37-I81 HydrophobicContact CB-CD1 4.19Å; Q37-I81 HydrophobicContact CG-CB 4.43Å; Q37-I81 HydrophobicContact CG-CD1 4.02Å; Q37-I81 HydrophobicContact CG-CG1 3.89Å; Q37-I81 VanDerWaalsContact CG-O 3.28Å; Q37-I81 WeakPolarHBondContact CG-O 3.27Å; Q37-L83 HydrophobicContact CB-CB 3.99Å; Q37-L83 HydrophobicContact CG-CB 4.22Å; Q37-L83 VanDerWaalsContact OE1-N 3.07Å |
| 38 | L | 98.5 | Very high | 98.1 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 12% | 0.115 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.3 | 178.6 | -174 | 68.1 | 0 | 0 | 0 | 109.9 | P40 L45 V59 E305 D307 | L38-P40 VanDerWaalsContact O-CD 3.29Å; L38-P40 WeakPolarHBondContact O-CD 3.45Å; L38-L45 HydrophobicContact CB-CD1 4.49Å; L38-L45 HydrophobicContact CD1-CB 4.4Å; L38-L45 HydrophobicContact CD1-CD1 4.24Å; L38-V59 HydrophobicContact CD1-CG1 4.11Å; L38-V59 HydrophobicContact CD1-CG2 4.29Å; L38-E305 HydrophobicContact CB-CG 3.98Å; L38-D307 HydrophobicContact CD2-CB 4.46Å |
| 39 | D | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 105.4 | 165.7 | -173.7 | -22.9 | 0 | 0 | 0 | 108.9 | A41 L42 N43 R44 F46 L83 | D39-A41 VanDerWaalsContact C-N 3.31Å; D39-A41 WeakPolarHBondContact OD1-CA 3.39Å; D39-A41 WeakPolarHBondContact OD1-CB 3.15Å; D39-A41 PolarHBondContact OD1-N 2.85Å; D39-L42 PolarHBondContact OD1-N 3Å; D39-N43 VanDerWaalsContact O-CA 3.28Å; D39-N43 WeakPolarHBondContact O-CA 3.45Å; D39-N43 PolarHBondContact O-N 2.75Å; D39-R44 HydrophobicContact CB-CB 4.14Å; D39-R44 PolarHBondContact N-O 3.33Å; D39-R44 PolarHBondContact O-N 2.91Å; D39-F46 HydrophobicContact CB-CE2 4.25Å; D39-L83 HydrophobicContact CB-CD2 3.64Å |
| 40 | P | 94.1 | Very high | 98.1 | Very high | 89 Ų | 89 | 25.4 Ų | 25.4 | 58% | 0.578 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -22.8 | 179.5 | 31.1 | -35.7 | 0 | 0 | 0 | 112.7 | L38 | L38-P40 VanDerWaalsContact O-CD 3.29Å; L38-P40 WeakPolarHBondContact O-CD 3.45Å |
| 41 | A | 95.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 23.5 Ų | 23.5 | 68% | 0.678 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -40.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D39 | D39-A41 VanDerWaalsContact C-N 3.31Å; D39-A41 WeakPolarHBondContact OD1-CA 3.39Å; D39-A41 WeakPolarHBondContact OD1-CB 3.15Å; D39-A41 PolarHBondContact OD1-N 2.85Å |
| 42 | L | 96.3 | Very high | 98.1 | Very high | 64 Ų | 64 | 23 Ų | 23 | 34% | 0.335 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.1 | 179.6 | -60.9 | -177.9 | 0 | 0 | 0 | 113.8 | D39 R44 | D39-L42 PolarHBondContact OD1-N 3Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 HydrophobicContact CB-CB 4.49Å; L42-R44 HydrophobicContact CB-CG 3.84Å; L42-R44 PolarHBondContact O-N 3.41Å |
| 43 | N | 96.8 | Very high | 98.2 | Very high | 52 Ų | 52 | 23 Ų | 23 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 53.3 | -171.1 | -72.8 | -56.3 | 0 | 0 | 0 | 111 | D39 V59 Y60 | D39-N43 VanDerWaalsContact O-CA 3.28Å; D39-N43 WeakPolarHBondContact O-CA 3.45Å; D39-N43 PolarHBondContact O-N 2.75Å; N43-V59 HydrophobicContact CB-CG2 3.76Å; N43-V59 WeakPolarHBondContact O-CG2 3.47Å; N43-V59 PolarHBondContact O-N 3.31Å; N43-Y60 HydrophobicContact CB-CD2 4.24Å; N43-Y60 HydrophobicContact CB-CE1 4.19Å; N43-Y60 HydrophobicContact CB-CE2 3.74Å; N43-Y60 VanDerWaalsContact ND2-CZ 3.29Å; N43-Y60 PolarHBondContact ND2-OH 2.88Å |
| 44 | R | 98 | Very high | 98.2 | Very high | 58 Ų | 58 | 23.1 Ų | 23.1 | 22% | 0.219 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.7 | 179.7 | -66 | 176.1 | -179.3 | -172.6 | -1.5 | 111.6 | D39 L42 F46 I56 W57 I68 | D39-R44 HydrophobicContact CB-CB 4.14Å; D39-R44 PolarHBondContact N-O 3.33Å; D39-R44 PolarHBondContact O-N 2.91Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 HydrophobicContact CB-CB 4.49Å; L42-R44 HydrophobicContact CB-CG 3.84Å; L42-R44 PolarHBondContact O-N 3.41Å; R44-F46 HydrophobicContact CB-CE2 4.21Å; R44-I56 HydrophobicContact CB-CG2 4.17Å; R44-I56 HydrophobicContact CG-CG2 4.27Å; R44-W57 CarbonylContact C-O 3.58Å; R44-W57 WeakPolarHBondContact CA-O 3.47Å; R44-I68 HydrophobicContact CG-CD1 4.01Å |
| 45 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.6 | 168.9 | -176.1 | 74.8 | 0 | 0 | 0 | 109 | L36 L38 T47 W57 V59 W317 V325 I361 | L36-L45 HydrophobicContact CB-CD1 4.41Å; L36-L45 HydrophobicContact CD2-CD1 4.47Å; L36-L45 HydrophobicContact CD2-CD2 4.39Å; L38-L45 HydrophobicContact CB-CD1 4.49Å; L38-L45 HydrophobicContact CD1-CB 4.4Å; L38-L45 HydrophobicContact CD1-CD1 4.24Å; L45-T47 HydrophobicContact CD2-CG2 4.15Å; L45-T47 HydrophobicContact CG-CG2 4.43Å; L45-W57 HydrophobicContact CB-CB 4.33Å; L45-W57 PolarHBondContact N-O 3.04Å; L45-W57 PolarHBondContact O-N 3.4Å; L45-V59 HydrophobicContact CB-CG1 3.64Å; L45-W317 HydrophobicContact CD1-CB 4.46Å; L45-W317 HydrophobicContact CD1-CD2 4.38Å; L45-W317 HydrophobicContact CD1-CG 4.17Å; L45-W317 HydrophobicContact CD2-CD2 3.83Å; L45-W317 HydrophobicContact CD2-CE3 3.65Å; L45-W317 HydrophobicContact CD2-CG 4.38Å; L45-W317 HydrophobicContact CD2-CH2 4.35Å; L45-W317 HydrophobicContact CD2-CZ3 3.92Å; L45-V325 HydrophobicContact CD2-CG1 4.19Å; L45-I361 HydrophobicContact CD2-CD1 3.58Å |
| 46 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.4 | 170.2 | -63.8 | -97.7 | 0 | 0 | 0 | 109.1 | L36 Q37 D39 R44 R55 I56 M71 I81 L83 L90 A104 | L36-F46 WeakPolarHBondContact CA-O 3.28Å; Q37-F46 HydrophobicContact CB-CB 4.33Å; Q37-F46 PolarHBondContact N-O 2.88Å; Q37-F46 VanDerWaalsContact N-O 3.13Å; Q37-F46 PolarHBondContact O-N 2.84Å; D39-F46 HydrophobicContact CB-CE2 4.25Å; R44-F46 HydrophobicContact CB-CE2 4.21Å; F46-R55 WeakPolarHBondContact CA-O 3.12Å; F46-I56 HydrophobicContact CD1-CD1 4.43Å; F46-I56 HydrophobicContact CD1-CG1 3.87Å; F46-I56 HydrophobicContact CD1-CG2 4.43Å; F46-I56 HydrophobicContact CE1-CB 4.38Å; F46-I56 HydrophobicContact CE1-CD1 3.72Å; F46-I56 HydrophobicContact CE1-CG1 3.64Å; F46-I56 HydrophobicContact CE1-CG2 4.02Å; F46-I56 HydrophobicContact CZ-CD1 4.46Å; F46-I56 HydrophobicContact CZ-CG2 4.18Å; F46-M71 HydrophobicContact CD1-SD 4.35Å; F46-M71 HydrophobicContact CE1-SD 4.28Å; F46-I81 HydrophobicContact CB-CD1 3.76Å; F46-L83 HydrophobicContact CD2-CD1 4.3Å; F46-L83 HydrophobicContact CD2-CD2 4.35Å; F46-L83 HydrophobicContact CE2-CD1 3.83Å; F46-L83 HydrophobicContact CE2-CD2 4.01Å; F46-L83 HydrophobicContact CZ-CD1 4.08Å; F46-L90 HydrophobicContact CB-CD1 4.05Å; F46-L90 HydrophobicContact CD1-CD1 3.53Å; F46-L90 HydrophobicContact CE1-CD1 4.06Å; F46-L90 HydrophobicContact CG-CD1 3.79Å; F46-A104 HydrophobicContact CE1-CB 4.12Å; F46-A104 HydrophobicContact CZ-CB 4Å |
| 47 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.1 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | V33 L36 L45 I54 R55 W57 V325 | V33-T47 HydrophobicContact CG1-CG2 4.26Å; L36-T47 HydrophobicContact CD2-CG2 3.71Å; L45-T47 HydrophobicContact CD2-CG2 4.15Å; L45-T47 HydrophobicContact CG-CG2 4.43Å; T47-I54 VanDerWaalsContact O-CA 3.3Å; T47-I54 WeakPolarHBondContact O-CA 3.27Å; T47-R55 PolarHBondContact N-O 2.79Å; T47-R55 PolarHBondContact O-N 2.9Å; T47-W57 VanDerWaalsContact CG2-NE1 3.31Å; T47-W57 PolarHBondContact OG1-NE1 3.01Å; T47-V325 HydrophobicContact CG2-CG2 3.99Å |
| 48 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 102.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V33 N34 A35 V78 I81 | V33-A48 CarbonylContact C-O 3.52Å; N34-A48 PolarHBondContact N-O 3.22Å; A35-A48 HydrophobicContact CB-CB 4.04Å; A35-A48 PolarHBondContact O-N 2.88Å; A48-V78 HydrophobicContact CB-CB 3.95Å; A48-V78 HydrophobicContact CB-CG1 3.69Å; A48-I81 HydrophobicContact CB-CB 4.49Å; A48-I81 HydrophobicContact CB-CD1 4.03Å; A48-I81 HydrophobicContact CB-CG1 3.9Å; A48-I81 HydrophobicContact CB-CG2 3.84Å |
| 49 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 145 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D51 S52 I53 V78 | G49-D51 WeakPolarHBondContact CA-OD1 3.31Å; G49-D51 PolarHBondContact O-N 2.97Å; G49-S52 PolarHBondContact O-N 2.98Å; G49-I53 PolarHBondContact N-O 2.79Å; G49-V78 PolarHBondContact O-N 3.38Å |
| 50 | R | 98.9 | Very high | 97.7 | Very high | 44 Ų | 44 | 26 Ų | 26 | 17% | 0.166 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.2 | 161.6 | -73.2 | -178.8 | -179.8 | -170.8 | -2.8 | 112.1 | N31 G32 N34 S52 W77 L302 | N31-R50 HydrophobicContact CB-CB 3.82Å; G32-R50 VanDerWaalsContact O-CB 3.27Å; G32-R50 WeakPolarHBondContact O-CB 3.44Å; G32-R50 WeakPolarHBondContact O-CG 3.39Å; G32-R50 PolarHBondContact O-N 2.95Å; N34-R50 VanDerWaalsContact ND2-CG 3.31Å; N34-R50 WeakPolarHBondContact ND2-CG 3.13Å; N34-R50 WeakPolarHBondContact OD1-CG 3.32Å; N34-R50 PolarHBondContact OD1-NE 3.03Å; N34-R50 PolarHBondContact OD1-NH2 3.03Å; R50-S52 PolarHBondContact O-N 3.4Å; R50-W77 HydrophobicContact CB-CD2 4.16Å; R50-W77 HydrophobicContact CB-CG 3.99Å; R50-W77 HydrophobicContact CG-CD2 3.82Å; R50-W77 HydrophobicContact CG-CE3 4.18Å; R50-W77 HydrophobicContact CG-CG 3.98Å; R50-W77 PolarHBondContact O-NE1 3Å; R50-L302 VanDerWaalsContact NH2-CD1 3.32Å |
| 51 | D | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 14.1 | 173.4 | 67.8 | -9.5 | 0 | 0 | 0 | 114 | N29 R30 N31 G49 I53 R55 T430 M432 | N29-D51 WeakPolarHBondContact CA-OD2 3.46Å; R30-D51 HydrophobicContact CB-CB 3.91Å; R30-D51 PolarHBondContact N-OD2 3.49Å; N31-D51 HydrophobicContact CB-CB 4.25Å; G49-D51 WeakPolarHBondContact CA-OD1 3.31Å; G49-D51 PolarHBondContact O-N 2.97Å; D51-I53 PolarHBondContact O-N 2.92Å; D51-I53 PolarHBondContact OD1-N 2.9Å; D51-R55 IonicContact OD1-NH1 3.83Å; D51-R55 PolarHBondContact OD1-NH1 2.89Å; D51-R55 IonicContact OD2-CZ 3.26Å; D51-R55 IonicContact OD2-NH1 3.68Å; D51-R55 PolarHBondContact OD2-NH1 3.33Å; D51-R55 IonicContact OD2-NH2 3.11Å; D51-R55 PolarHBondContact OD2-NH2 3.45Å; D51-T430 VanDerWaalsContact CA-O 3.28Å; D51-T430 WeakPolarHBondContact CA-O 3.37Å; D51-T430 WeakPolarHBondContact CB-O 3.37Å; D51-M432 HydrophobicContact CB-CE 4.16Å; D51-M432 WeakPolarHBondContact O-CE 3.5Å |
| 52 | S | 98.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 70.3 | 5.1 | -178.7 | 91.8 | 0 | 0 | 0 | 0 | 116.3 | G49 R50 H74 D76 | G49-S52 PolarHBondContact O-N 2.98Å; R50-S52 PolarHBondContact O-N 3.4Å; S52-H74 WeakPolarHBondContact CB-O 3.45Å; S52-H74 PolarHBondContact OG-O 3.16Å; S52-D76 VanDerWaalsContact CA-O 3.28Å; S52-D76 WeakPolarHBondContact CA-O 3.45Å; S52-D76 WeakPolarHBondContact CB-O 3.37Å |
| 53 | I | 98.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 135.6 | -174.8 | -58.8 | 169.7 | 0 | 0 | 0 | 110.2 | E26 G49 D51 R55 E72 | E26-I53 HydrophobicContact CB-CD1 4.18Å; G49-I53 PolarHBondContact N-O 2.79Å; D51-I53 PolarHBondContact O-N 2.92Å; D51-I53 PolarHBondContact OD1-N 2.9Å; I53-R55 HydrophobicContact CG2-CG 3.91Å; I53-E72 HydrophobicContact CD1-CG 4.38Å; I53-E72 HydrophobicContact CG1-CG 4.1Å; I53-E72 HydrophobicContact CG2-CG 4.03Å |
| 54 | I | 98.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.7 | 167.4 | -60.5 | 164 | 0 | 0 | 0 | 107.7 | T47 M71 V78 I81 L90 W102 | T47-I54 VanDerWaalsContact O-CA 3.3Å; T47-I54 WeakPolarHBondContact O-CA 3.27Å; I54-M71 HydrophobicContact CB-CB 4.06Å; I54-M71 HydrophobicContact CB-SD 4.49Å; I54-M71 HydrophobicContact CG2-SD 3.95Å; I54-M71 PolarHBondContact N-O 3.33Å; I54-M71 PolarHBondContact O-N 2.94Å; I54-V78 HydrophobicContact CD1-CG1 4.07Å; I54-V78 HydrophobicContact CG1-CB 4.45Å; I54-V78 HydrophobicContact CG1-CG1 4Å; I54-V78 HydrophobicContact CG1-CG2 4.13Å; I54-I81 HydrophobicContact CD1-CG2 3.9Å; I54-I81 HydrophobicContact CG1-CG2 4.32Å; I54-L90 HydrophobicContact CD1-CD2 3.92Å; I54-W102 HydrophobicContact CD1-CZ2 4.1Å |
| 55 | R | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.1 | 179.7 | -64 | 179.8 | 179.6 | 74.3 | 0.6 | 111.7 | E26 K27 Y28 N29 F46 T47 D51 I53 W57 A69 | E26-R55 PolarHBondContact O-NE 3.04Å; E26-R55 PolarHBondContact O-NH2 2.98Å; K27-R55 WeakPolarHBondContact O-CD 3.4Å; K27-R55 PolarHBondContact O-NE 3.26Å; Y28-R55 PolarHBondContact O-NH2 3.47Å; N29-R55 PolarHBondContact OD1-NH1 3.48Å; F46-R55 WeakPolarHBondContact CA-O 3.12Å; T47-R55 PolarHBondContact N-O 2.79Å; T47-R55 PolarHBondContact O-N 2.9Å; D51-R55 IonicContact OD1-NH1 3.83Å; D51-R55 PolarHBondContact OD1-NH1 2.89Å; D51-R55 IonicContact OD2-CZ 3.26Å; D51-R55 IonicContact OD2-NH1 3.68Å; D51-R55 PolarHBondContact OD2-NH1 3.33Å; D51-R55 IonicContact OD2-NH2 3.11Å; D51-R55 PolarHBondContact OD2-NH2 3.45Å; I53-R55 HydrophobicContact CG2-CG 3.91Å; R55-W57 HydrophobicContact CB-CZ2 3.76Å; R55-W57 VanDerWaalsContact CD-CZ2 3.5Å; R55-W57 HydrophobicContact CG-CZ2 4.28Å; R55-A69 WeakPolarHBondContact CA-O 3.36Å |
| 56 | I | 98.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.3 | 177.6 | -42.8 | -177.4 | 0 | 0 | 0 | 108.7 | R44 F46 I68 A69 M71 | R44-I56 HydrophobicContact CB-CG2 4.17Å; R44-I56 HydrophobicContact CG-CG2 4.27Å; F46-I56 HydrophobicContact CD1-CD1 4.43Å; F46-I56 HydrophobicContact CD1-CG1 3.87Å; F46-I56 HydrophobicContact CD1-CG2 4.43Å; F46-I56 HydrophobicContact CE1-CB 4.38Å; F46-I56 HydrophobicContact CE1-CD1 3.72Å; F46-I56 HydrophobicContact CE1-CG1 3.64Å; F46-I56 HydrophobicContact CE1-CG2 4.02Å; F46-I56 HydrophobicContact CZ-CD1 4.46Å; F46-I56 HydrophobicContact CZ-CG2 4.18Å; I56-I68 HydrophobicContact CB-CB 4.16Å; I56-I68 HydrophobicContact CG2-CB 4.26Å; I56-I68 HydrophobicContact CG2-CD1 4.08Å; I56-I68 WeakPolarHBondContact O-CB 3.42Å; I56-I68 PolarHBondContact O-N 3.03Å; I56-A69 HydrophobicContact CD1-CB 4.25Å; I56-A69 HydrophobicContact CG1-CB 4.47Å; I56-A69 PolarHBondContact N-O 3.29Å; I56-M71 HydrophobicContact CD1-CG 4.34Å; I56-M71 HydrophobicContact CD1-SD 3.87Å; I56-M71 HydrophobicContact CG1-CG 4.44Å; I56-M71 HydrophobicContact CG1-SD 3.94Å |
| 57 | W | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.7 | -177.9 | -49.1 | 92 | 0 | 0 | 0 | 110.7 | K27 Y28 R44 L45 T47 R55 P66 Y67 I361 | K27-W57 VanDerWaalsContact O-CH2 3.32Å; K27-W57 WeakPolarHBondContact O-CH2 3.46Å; Y28-W57 HydrophobicContact CD1-CH2 4.04Å; Y28-W57 HydrophobicContact CD1-CZ3 4.34Å; R44-W57 CarbonylContact C-O 3.58Å; R44-W57 WeakPolarHBondContact CA-O 3.47Å; L45-W57 HydrophobicContact CB-CB 4.33Å; L45-W57 PolarHBondContact N-O 3.04Å; L45-W57 PolarHBondContact O-N 3.4Å; T47-W57 VanDerWaalsContact CG2-NE1 3.31Å; T47-W57 PolarHBondContact OG1-NE1 3.01Å; R55-W57 HydrophobicContact CB-CZ2 3.76Å; R55-W57 VanDerWaalsContact CD-CZ2 3.5Å; R55-W57 HydrophobicContact CG-CZ2 4.28Å; W57-P66 CarbonylContact C-O 3.52Å; W57-P66 VanDerWaalsContact CA-O 3.24Å; W57-P66 WeakPolarHBondContact CA-O 3.44Å; W57-P66 HydrophobicContact CE3-CB 4.31Å; W57-P66 HydrophobicContact CE3-CG 4.08Å; W57-P66 HydrophobicContact CZ3-CG 4.48Å; W57-Y67 HydrophobicContact CH2-CD2 4.26Å; W57-Y67 HydrophobicContact CZ3-CD2 4.07Å; W57-Y67 HydrophobicContact CZ3-CG 4.47Å; W57-I361 HydrophobicContact CB-CD1 3.91Å; W57-I361 HydrophobicContact CD2-CD1 4.13Å; W57-I361 HydrophobicContact CD2-CG2 3.7Å; W57-I361 HydrophobicContact CE3-CG2 3.66Å; W57-I361 HydrophobicContact CG-CD1 3.76Å; W57-I361 HydrophobicContact CG-CG2 4.45Å; W57-I361 HydrophobicContact CH2-CG2 3.72Å; W57-I361 HydrophobicContact CZ2-CG2 3.74Å; W57-I361 HydrophobicContact CZ3-CG2 3.68Å |
| 58 | S | 97.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.5 | 166.9 | -162.4 | 0 | 0 | 0 | 0 | 109.7 | Y60 K63 P66 | S58-Y60 WeakPolarHBondContact OG-CD2 3.4Å; S58-K63 PolarHBondContact OG-NZ 3Å; S58-P66 PolarHBondContact N-O 2.81Å; S58-P66 WeakPolarHBondContact O-CB 3.38Å |
| 59 | V | 95.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | trans | -96.8 | 9.5 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 113.8 | L38 N43 L45 Q61 W317 Q359 | L38-V59 HydrophobicContact CD1-CG1 4.11Å; L38-V59 HydrophobicContact CD1-CG2 4.29Å; N43-V59 HydrophobicContact CB-CG2 3.76Å; N43-V59 WeakPolarHBondContact O-CG2 3.47Å; N43-V59 PolarHBondContact O-N 3.31Å; L45-V59 HydrophobicContact CB-CG1 3.64Å; V59-Q61 PolarHBondContact O-N 3.19Å; V59-W317 HydrophobicContact CB-CZ2 3.83Å; V59-W317 HydrophobicContact CG1-CH2 4.18Å; V59-W317 HydrophobicContact CG1-CZ2 3.44Å; V59-W317 VanDerWaalsContact CG1-CZ2 3.44Å; V59-Q359 PolarHBondContact O-OE1 2.95Å | ||
| 60 | Y | 92.4 | Very high | 94.8 | Very high | 121 Ų | 121 | 51.4 Ų | 51.4 | 48% | 0.475 | 25% | 0.247 | S | C | . | . | trans | -68.6 | 114.9 | 170.9 | -70.4 | -67.5 | 0 | 0 | 0 | 110.1 | N43 S58 Q62 K63 | N43-Y60 HydrophobicContact CB-CD2 4.24Å; N43-Y60 HydrophobicContact CB-CE1 4.19Å; N43-Y60 HydrophobicContact CB-CE2 3.74Å; N43-Y60 VanDerWaalsContact ND2-CZ 3.29Å; N43-Y60 PolarHBondContact ND2-OH 2.88Å; S58-Y60 WeakPolarHBondContact OG-CD2 3.4Å; Y60-Q62 PolarHBondContact O-N 3.45Å; Y60-Q62 VanDerWaalsContact O-N 3.11Å; Y60-K63 PolarHBondContact O-N 3.4Å; Y60-K63 VanDerWaalsContact O-N 3.13Å | ||
| 61 | Q | 79.2 | Confident | 94.7 | Very high | 113 Ų | 113 | 49.4 Ų | 49.4 | 53% | 0.528 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.6 | -176.1 | -69.6 | 176.2 | -3.1 | 0 | 0 | 114.1 | V59 K63 E358 | V59-Q61 PolarHBondContact O-N 3.19Å; Q61-K63 VanDerWaalsContact C-N 3.29Å; Q61-K63 PolarHBondContact O-N 3.43Å; Q61-E358 PolarHBondContact NE2-OE1 2.91Å |
| 62 | Q | 82.2 | Confident | 94.7 | Very high | 194 Ų | 194 | 51.9 Ų | 51.9 | 91% | 0.907 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -13.8 | -178.6 | -64.8 | 178.2 | -3.6 | 0 | 0 | 113.7 | Y60 Q64 | Y60-Q62 PolarHBondContact O-N 3.45Å; Y60-Q62 VanDerWaalsContact O-N 3.11Å; Q62-Q64 PolarHBondContact O-N 2.82Å |
| 63 | K | 83.8 | Confident | 94.7 | Very high | 110 Ų | 110 | 54 Ų | 54 | 48% | 0.478 | 26% | 0.258 | S | S | . | . | trans | -78.6 | 123.3 | 177.8 | -79 | -170.7 | 175.6 | 179.9 | 0 | 110.8 | S58 Y60 Q61 D65 | S58-K63 PolarHBondContact OG-NZ 3Å; Y60-K63 PolarHBondContact O-N 3.4Å; Y60-K63 VanDerWaalsContact O-N 3.13Å; Q61-K63 VanDerWaalsContact C-N 3.29Å; Q61-K63 PolarHBondContact O-N 3.43Å; K63-D65 VanDerWaalsContact C-N 3.29Å; K63-D65 PolarHBondContact O-N 3.22Å | ||
| 64 | Q | 85.7 | Confident | 94.7 | Very high | 205 Ų | 205 | 54 Ų | 54 | 96% | 0.958 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -64.4 | -34.8 | 174.2 | -67.6 | -178.9 | 1.6 | 0 | 0 | 112.5 | Q62 | Q62-Q64 PolarHBondContact O-N 2.82Š|
| 65 | D | 93.6 | Very high | 94.7 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | trans | -119.2 | 107.5 | 176.9 | -177.5 | 20.7 | 0 | 0 | 0 | 110.4 | K27 K63 Y67 | K27-D65 WeakPolarHBondContact CE-OD1 3.4Å; K27-D65 WeakPolarHBondContact CE-OD2 3.45Å; K27-D65 IonicContact NZ-OD1 3.47Å; K27-D65 PolarHBondContact NZ-OD1 3.05Å; K27-D65 IonicContact NZ-OD2 3.74Å; K27-D65 PolarHBondContact NZ-OD2 2.91Å; K63-D65 VanDerWaalsContact C-N 3.29Å; K63-D65 PolarHBondContact O-N 3.22Å; D65-Y67 VanDerWaalsContact C-N 3.31Å; D65-Y67 PolarHBondContact O-N 2.75Å; D65-Y67 PolarHBondContact OD1-N 3.41Å | ||
| 66 | P | 96.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 13% | 0.13 | 27% | 0.266 | C | S | . | . | trans | -79.1 | -11.6 | -177.9 | 31.1 | -34.2 | 0 | 0 | 0 | 113 | W57 S58 | W57-P66 CarbonylContact C-O 3.52Å; W57-P66 VanDerWaalsContact CA-O 3.24Å; W57-P66 WeakPolarHBondContact CA-O 3.44Å; W57-P66 HydrophobicContact CE3-CB 4.31Å; W57-P66 HydrophobicContact CE3-CG 4.08Å; W57-P66 HydrophobicContact CZ3-CG 4.48Å; S58-P66 PolarHBondContact N-O 2.81Å; S58-P66 WeakPolarHBondContact O-CB 3.38Å | ||
| 67 | Y | 98.1 | Very high | 94.7 | Very high | 52 Ų | 52 | 58.5 Ų | 58.5 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 137.1 | -175.7 | 175.8 | -100.1 | 0 | 0 | 0 | 112.4 | K27 W57 D65 S70 | K27-Y67 HydrophobicContact CD-CD1 4.29Å; K27-Y67 HydrophobicContact CD-CG 4.22Å; K27-Y67 HydrophobicContact CG-CD1 3.83Å; K27-Y67 HydrophobicContact CG-CD2 3.65Å; K27-Y67 HydrophobicContact CG-CE1 4.2Å; K27-Y67 HydrophobicContact CG-CE2 4.05Å; K27-Y67 HydrophobicContact CG-CG 3.53Å; K27-Y67 WeakPolarHBondContact O-CD2 3.29Å; W57-Y67 HydrophobicContact CH2-CD2 4.26Å; W57-Y67 HydrophobicContact CZ3-CD2 4.07Å; W57-Y67 HydrophobicContact CZ3-CG 4.47Å; D65-Y67 VanDerWaalsContact C-N 3.31Å; D65-Y67 PolarHBondContact O-N 2.75Å; D65-Y67 PolarHBondContact OD1-N 3.41Å; Y67-S70 PolarHBondContact OH-N 3.38Å; Y67-S70 PolarHBondContact OH-OG 2.9Å |
| 68 | I | 97.8 | Very high | 94.7 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -57.3 | 174.7 | -59.7 | 175 | 0 | 0 | 0 | 110.6 | R44 I56 | R44-I68 HydrophobicContact CG-CD1 4.01Å; I56-I68 HydrophobicContact CB-CB 4.16Å; I56-I68 HydrophobicContact CG2-CB 4.26Å; I56-I68 HydrophobicContact CG2-CD1 4.08Å; I56-I68 WeakPolarHBondContact O-CB 3.42Å; I56-I68 PolarHBondContact O-N 3.03Å |
| 69 | A | 98.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 58.8 Ų | 58.8 | 24% | 0.24 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 161.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | R55 I56 | R55-A69 WeakPolarHBondContact CA-O 3.36Å; I56-A69 HydrophobicContact CD1-CB 4.25Å; I56-A69 HydrophobicContact CG1-CB 4.47Å; I56-A69 PolarHBondContact N-O 3.29Å |
| 70 | S | 98.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.4 | 169.1 | -70 | 0 | 0 | 0 | 0 | 109.9 | Y67 | Y67-S70 PolarHBondContact OH-N 3.38Å; Y67-S70 PolarHBondContact OH-OG 2.9Å |
| 71 | M | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 99 | 178.6 | -62.2 | 167.7 | 61.2 | 0 | 0 | 107.8 | F46 I54 I56 L90 W102 | F46-M71 HydrophobicContact CD1-SD 4.35Å; F46-M71 HydrophobicContact CE1-SD 4.28Å; I54-M71 HydrophobicContact CB-CB 4.06Å; I54-M71 HydrophobicContact CB-SD 4.49Å; I54-M71 HydrophobicContact CG2-SD 3.95Å; I54-M71 PolarHBondContact N-O 3.33Å; I54-M71 PolarHBondContact O-N 2.94Å; I56-M71 HydrophobicContact CD1-CG 4.34Å; I56-M71 HydrophobicContact CD1-SD 3.87Å; I56-M71 HydrophobicContact CG1-CG 4.44Å; I56-M71 HydrophobicContact CG1-SD 3.94Å; M71-L90 HydrophobicContact CE-CD2 4.31Å; M71-W102 HydrophobicContact CB-CE3 3.99Å; M71-W102 HydrophobicContact CB-CH2 4.43Å; M71-W102 HydrophobicContact CB-CZ3 3.79Å; M71-W102 HydrophobicContact CE-CB 3.4Å; M71-W102 VanDerWaalsContact CE-CB 3.4Å; M71-W102 HydrophobicContact CE-CD2 3.53Å; M71-W102 HydrophobicContact CE-CE3 3.48Å; M71-W102 VanDerWaalsContact CE-CE3 3.48Å; M71-W102 HydrophobicContact CE-CG 3.51Å; M71-W102 HydrophobicContact CE-CZ3 4.38Å |
| 72 | E | 98.4 | Very high | 96.1 | Very high | 52 Ų | 52 | 48 Ų | 48 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117.5 | -168.8 | -57.3 | -165.6 | -170.3 | 0 | 0 | 112 | R22 I53 R532 | R22-E72 IonicContact CZ-OE1 2.85Å; R22-E72 IonicContact CZ-OE2 3.19Å; R22-E72 VanDerWaalsContact NH1-CD 3.32Å; R22-E72 IonicContact NH1-OE1 3.59Å; R22-E72 PolarHBondContact NH1-OE1 3.1Å; R22-E72 IonicContact NH1-OE2 3.55Å; R22-E72 PolarHBondContact NH1-OE2 2.7Å; R22-E72 IonicContact NH2-OE1 2.64Å; R22-E72 PolarHBondContact NH2-OE1 3.1Å; R22-E72 IonicContact NH2-OE2 2.76Å; R22-E72 PolarHBondContact NH2-OE2 2.92Å; I53-E72 HydrophobicContact CD1-CG 4.38Å; I53-E72 HydrophobicContact CG1-CG 4.1Å; I53-E72 HydrophobicContact CG2-CG 4.03Å; E72-R532 IonicContact OE2-NH2 2.91Å; E72-R532 PolarHBondContact OE2-NH2 2.92Å |
| 73 | H | 98.4 | Very high | 96.9 | Very high | 59 Ų | 59 | 39.8 Ų | 39.8 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | trans | -162 | -33.9 | 171.1 | -161.2 | -43 | 0 | 0 | 0 | 112.2 | K100 W102 C109 R532 | H73-K100 HydrophobicContact CB-CD 3.94Å; H73-K100 PolarHBondContact CE1-NZ 2.84Å; H73-K100 WeakPolarHBondContact ND1-CE 3.47Å; H73-K100 PolarHBondContact ND1-NZ 3.03Å; H73-W102 HydrophobicContact CB-CH2 3.45Å; H73-W102 VanDerWaalsContact CB-CH2 3.45Å; H73-W102 HydrophobicContact CB-CZ2 4.25Å; H73-W102 HydrophobicContact CB-CZ3 4.1Å; H73-C109 HydrophobicContact CB-CB 4.22Å; H73-R532 WeakPolarHBondContact O-CD 3.44Å | ||
| 74 | H | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | trans | -63.7 | 149.7 | 174 | -75 | -59.4 | 0 | 0 | 0 | 111.3 | S52 V78 S92 S94 D96 T98 K100 W102 | S52-H74 WeakPolarHBondContact CB-O 3.45Å; S52-H74 PolarHBondContact OG-O 3.16Å; H74-V78 HydrophobicContact CB-CG2 4.02Å; H74-S92 PolarHBondContact NE2-OG 3.45Å; H74-S94 WeakPolarHBondContact CE1-CB 3.48Å; H74-S94 WeakPolarHBondContact ND1-CB 3.42Å; H74-D96 WeakPolarHBondContact CA-OD2 3.37Å; H74-D96 WeakPolarHBondContact CB-OD2 3.44Å; H74-D96 IonicContact CE1-OD1 3.58Å; H74-D96 IonicContact CE1-OD2 3.84Å; H74-D96 IonicContact CG-OD2 3.71Å; H74-D96 IonicContact ND1-OD1 3.06Å; H74-D96 PolarHBondContact ND1-OD1 3.47Å; H74-D96 IonicContact ND1-OD2 2.76Å; H74-D96 PolarHBondContact ND1-OD2 2.93Å; H74-T98 PolarHBondContact CE1-OG1 2.96Å; H74-T98 PolarHBondContact ND1-OG1 3Å; H74-K100 VanDerWaalsContact CE1-CD 3.42Å; H74-K100 WeakPolarHBondContact CE1-CD 3.32Å; H74-K100 WeakPolarHBondContact ND1-CE 3.47Å; H74-W102 AromaticContact CD2-CZ2 3.91Å | ||
| 75 | T | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 9% | 0.092 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -114.5 | 2 | -176.5 | 54.4 | 0 | 0 | 0 | 0 | 113 | D96 I521 T529 R532 | T75-D96 PolarHBondContact N-OD2 3.09Å; T75-D96 VanDerWaalsContact N-OD2 3.16Å; T75-D96 VanDerWaalsContact OG1-CB 3.24Å; T75-D96 WeakPolarHBondContact OG1-CB 3.49Å; T75-I521 HydrophobicContact CG2-CD1 3.79Å; T75-I521 HydrophobicContact CG2-CG1 3.97Å; T75-I521 HydrophobicContact CG2-CG2 3.83Å; T75-T529 HydrophobicContact CG2-CG2 3.79Å; T75-T529 PolarHBondContact OG1-OG1 2.91Å; T75-R532 HydrophobicContact CG2-CB 4.44Å |
| 76 | D | 98.7 | Very high | 98 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -148.3 | -177.7 | 176.8 | -145.6 | -46.7 | 0 | 0 | 0 | 109.1 | S52 V78 S94 D96 K429 | S52-D76 VanDerWaalsContact CA-O 3.28Å; S52-D76 WeakPolarHBondContact CA-O 3.45Å; S52-D76 WeakPolarHBondContact CB-O 3.37Å; D76-V78 PolarHBondContact O-N 3.37Å; D76-S94 PolarHBondContact O-OG 3.07Å; D76-D96 HydrophobicContact CB-CB 4.01Å; D76-K429 WeakPolarHBondContact OD2-CD 3.43Å; D76-K429 WeakPolarHBondContact OD2-CE 3.32Å; D76-K429 IonicContact OD2-NZ 3.47Å; D76-K429 PolarHBondContact OD2-NZ 3.01Å |
| 77 | W | 98.9 | Very high | 97.9 | Very high | 70 Ų | 70 | 27.7 Ų | 27.7 | 27% | 0.265 | 14% | 0.144 | S | C | . | . | trans | -51.1 | 126.3 | -175.4 | -66.4 | 7.9 | 0 | 0 | 0 | 112.3 | R50 N79 S94 S95 K429 | R50-W77 HydrophobicContact CB-CD2 4.16Å; R50-W77 HydrophobicContact CB-CG 3.99Å; R50-W77 HydrophobicContact CG-CD2 3.82Å; R50-W77 HydrophobicContact CG-CE3 4.18Å; R50-W77 HydrophobicContact CG-CG 3.98Å; R50-W77 PolarHBondContact O-NE1 3Å; W77-N79 PolarHBondContact O-N 3.03Å; W77-S94 CarbonylContact O-C 3.57Å; W77-S94 VanDerWaalsContact O-CA 3.23Å; W77-S94 WeakPolarHBondContact O-CA 3.35Å; W77-S94 PolarHBondContact O-OG 2.96Å; W77-S94 VanDerWaalsContact O-OG 3.11Å; W77-S95 PolarHBondContact O-N 3.43Å; W77-K429 PolarHBondContact NE1-O 2.89Å | ||
| 78 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 111.3 | 166.3 | -169.4 | 0 | 0 | 0 | 0 | 107.2 | N34 A48 G49 I54 H74 D76 I81 A93 | N34-V78 VanDerWaalsContact CB-O 3.29Å; N34-V78 WeakPolarHBondContact CB-O 3.46Å; N34-V78 PolarHBondContact ND2-O 2.99Å; A48-V78 HydrophobicContact CB-CB 3.95Å; A48-V78 HydrophobicContact CB-CG1 3.69Å; G49-V78 PolarHBondContact O-N 3.38Å; I54-V78 HydrophobicContact CD1-CG1 4.07Å; I54-V78 HydrophobicContact CG1-CB 4.45Å; I54-V78 HydrophobicContact CG1-CG1 4Å; I54-V78 HydrophobicContact CG1-CG2 4.13Å; H74-V78 HydrophobicContact CB-CG2 4.02Å; D76-V78 PolarHBondContact O-N 3.37Å; V78-I81 HydrophobicContact CG1-CG2 3.97Å; V78-A93 CarbonylContact C-O 3.52Å |
| 79 | N | 98.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -34.6 | -171.3 | -69.4 | -58.1 | 0 | 0 | 0 | 112.8 | N34 W77 A93 S95 V120 K121 | N34-N79 WeakPolarHBondContact CB-O 3.17Å; W77-N79 PolarHBondContact O-N 3.03Å; N79-A93 PolarHBondContact N-O 3.28Å; N79-S95 PolarHBondContact ND2-N 2.82Å; N79-S95 VanDerWaalsContact ND2-N 3.17Å; N79-S95 PolarHBondContact ND2-OG 3.22Å; N79-V120 WeakPolarHBondContact CB-O 3.3Å; N79-V120 PolarHBondContact ND2-O 3.07Å; N79-K121 PolarHBondContact OD1-NZ 3.08Å |
| 80 | D | 98.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 5% | 0.053 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 154.5 | 179.6 | -143.4 | 7.9 | 0 | 0 | 0 | 111.1 | A35 S92 A93 L123 K303 | A35-D80 WeakPolarHBondContact CB-OD1 3.07Å; D80-S92 WeakPolarHBondContact O-CA 3.21Å; D80-A93 HydrophobicContact CB-CB 4.49Å; D80-A93 PolarHBondContact N-O 3.01Å; D80-A93 PolarHBondContact O-N 3.38Å; D80-L123 HydrophobicContact CB-CB 4.34Å; D80-L123 HydrophobicContact CB-CD1 4.46Å; D80-L123 HydrophobicContact CB-CG 4.22Å; D80-L123 PolarHBondContact OD2-N 3.44Å; D80-K303 IonicContact OD1-NZ 3.82Å; D80-K303 PolarHBondContact OD1-NZ 2.81Å; D80-K303 IonicContact OD2-NZ 2.78Å |
| 81 | I | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 144.8 | 176.4 | 49 | 165.3 | 0 | 0 | 0 | 110.6 | A35 Q37 F46 A48 I54 V78 L90 I91 | A35-I81 HydrophobicContact CB-CG1 3.94Å; Q37-I81 HydrophobicContact CB-CD1 4.19Å; Q37-I81 HydrophobicContact CG-CB 4.43Å; Q37-I81 HydrophobicContact CG-CD1 4.02Å; Q37-I81 HydrophobicContact CG-CG1 3.89Å; Q37-I81 VanDerWaalsContact CG-O 3.28Å; Q37-I81 WeakPolarHBondContact CG-O 3.27Å; F46-I81 HydrophobicContact CB-CD1 3.76Å; A48-I81 HydrophobicContact CB-CB 4.49Å; A48-I81 HydrophobicContact CB-CD1 4.03Å; A48-I81 HydrophobicContact CB-CG1 3.9Å; A48-I81 HydrophobicContact CB-CG2 3.84Å; I54-I81 HydrophobicContact CD1-CG2 3.9Å; I54-I81 HydrophobicContact CG1-CG2 4.32Å; V78-I81 HydrophobicContact CG1-CG2 3.97Å; I81-L90 HydrophobicContact CB-CD1 4.49Å; I81-L90 HydrophobicContact CB-CD2 4.34Å; I81-L90 HydrophobicContact CD1-CD1 4.45Å; I81-L90 HydrophobicContact CG2-CD2 3.96Å; I81-I91 CarbonylContact C-O 3.59Å; I81-I91 VanDerWaalsContact CA-O 3.26Å; I81-I91 WeakPolarHBondContact CA-O 3.5Å |
| 82 | V | 98.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.2 | 174.8 | 166.5 | 0 | 0 | 0 | 0 | 108.5 | C84 L90 I91 L123 Y125 V132 | V82-C84 HydrophobicContact CG1-CB 4.41Å; V82-L90 CarbonylContact O-C 3.31Å; V82-L90 WeakPolarHBondContact O-CA 3.43Å; V82-I91 PolarHBondContact N-O 3.11Å; V82-I91 PolarHBondContact O-N 3.03Å; V82-L123 HydrophobicContact CB-CD1 4.41Å; V82-L123 HydrophobicContact CG2-CB 3.59Å; V82-L123 HydrophobicContact CG2-CD1 4.1Å; V82-Y125 HydrophobicContact CG1-CD1 4.01Å; V82-Y125 HydrophobicContact CG1-CD2 3.97Å; V82-Y125 HydrophobicContact CG1-CG 3.6Å; V82-V132 HydrophobicContact CG1-CG2 4.19Å |
| 83 | L | 98.6 | Very high | 98 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 11% | 0.105 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.8 | 170.9 | -169.2 | 72.6 | 0 | 0 | 0 | 109.4 | Q37 D39 F46 L90 A104 | Q37-L83 HydrophobicContact CB-CB 3.99Å; Q37-L83 HydrophobicContact CG-CB 4.22Å; Q37-L83 VanDerWaalsContact OE1-N 3.07Å; D39-L83 HydrophobicContact CB-CD2 3.64Å; F46-L83 HydrophobicContact CD2-CD1 4.3Å; F46-L83 HydrophobicContact CD2-CD2 4.35Å; F46-L83 HydrophobicContact CE2-CD1 3.83Å; F46-L83 HydrophobicContact CE2-CD2 4.01Å; F46-L83 HydrophobicContact CZ-CD1 4.08Å; L83-L90 HydrophobicContact CD1-CB 4.27Å; L83-L90 HydrophobicContact CD1-CD1 4.37Å; L83-A104 HydrophobicContact CD1-CB 3.87Å |
| 84 | C | 96.8 | Very high | 98 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 175.5 | -173.5 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | V82 N86 G87 K88 T89 Y125 E130 | V82-C84 HydrophobicContact CG1-CB 4.41Å; C84-N86 VanDerWaalsContact C-N 3.31Å; C84-N86 PolarHBondContact O-N 2.88Å; C84-G87 PolarHBondContact O-N 3.38Å; C84-K88 PolarHBondContact O-N 2.95Å; C84-T89 PolarHBondContact N-O 3.5Å; C84-T89 PolarHBondContact O-N 2.74Å; C84-T89 PolarHBondContact SG-O 3.09Å; C84-T89 VanDerWaalsContact SG-O 3.4Å; C84-Y125 HydrophobicContact CB-CD2 4.31Å; C84-Y125 HydrophobicContact CB-CE1 4.36Å; C84-Y125 HydrophobicContact CB-CE2 3.54Å; C84-E130 WeakPolarHBondContact CB-OE2 3.25Å |
| 85 | C | 95.6 | Very high | 98 | Very high | 19 Ų | 19 | 20.8 Ų | 20.8 | 13% | 0.128 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 44.6 | -179.5 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | G87 K88 E130 V146 | C85-G87 PolarHBondContact O-N 3.2Å; C85-K88 HydrophobicContact CB-CB 4.36Å; C85-K88 WeakPolarHBondContact O-CB 3.29Å; C85-K88 WeakPolarHBondContact O-CG 3.46Å; C85-K88 PolarHBondContact O-N 3.34Å; C85-E130 WeakPolarHBondContact CA-OE1 3.09Å; C85-E130 PolarHBondContact N-OE1 3.3Å; C85-E130 PolarHBondContact N-OE2 3.27Å; C85-E130 VanDerWaalsContact N-OE2 3.15Å; C85-V146 WeakPolarHBondContact SG-CG1 3.4Å |
| 86 | N | 94.1 | Very high | 98 | Very high | 126 Ų | 126 | 20.2 Ų | 20.2 | 67% | 0.674 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 44.8 | -177.5 | -57.7 | -40.8 | 0 | 0 | 0 | 113.8 | C84 K88 | C84-N86 VanDerWaalsContact C-N 3.31Å; C84-N86 PolarHBondContact O-N 2.88Å; N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.09Å |
| 87 | G | 94.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 4% | 0.041 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -6.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C84 C85 A104 H105 | C84-G87 PolarHBondContact O-N 3.38Å; C85-G87 PolarHBondContact O-N 3.2Å; G87-A104 WeakPolarHBondContact O-CB 3.39Å; G87-H105 PolarHBondContact O-CD2 2.8Å; G87-H105 PolarHBondContact O-NE2 3.25Å |
| 88 | K | 96.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 16.7 Ų | 16.7 | 54% | 0.543 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -34.9 | -177.5 | -65.6 | 177.7 | -177.6 | 177.8 | 0 | 113.3 | C84 C85 N86 A104 | C84-K88 PolarHBondContact O-N 2.95Å; C85-K88 HydrophobicContact CB-CB 4.36Å; C85-K88 WeakPolarHBondContact O-CB 3.29Å; C85-K88 WeakPolarHBondContact O-CG 3.46Å; C85-K88 PolarHBondContact O-N 3.34Å; N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.09Å; K88-A104 PolarHBondContact O-N 3.49Å |
| 89 | T | 98.2 | Very high | 97.9 | Very high | 10 Ų | 10 | 16.7 Ų | 16.7 | 6% | 0.061 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.3 | -171.6 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | C84 I91 V101 W102 V146 T150 | C84-T89 PolarHBondContact N-O 3.5Å; C84-T89 PolarHBondContact O-N 2.74Å; C84-T89 PolarHBondContact SG-O 3.09Å; C84-T89 VanDerWaalsContact SG-O 3.4Å; T89-I91 HydrophobicContact CG2-CD1 4.22Å; T89-V101 HydrophobicContact CG2-CG1 4.09Å; T89-W102 WeakPolarHBondContact CA-O 3.48Å; T89-V146 HydrophobicContact CG2-CG1 3.98Å; T89-T150 HydrophobicContact CG2-CG2 3.84Å |
| 90 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.8 | 170.1 | -177.1 | 146.4 | 0 | 0 | 0 | 108.9 | F46 I54 M71 I81 V82 L83 W102 A104 | F46-L90 HydrophobicContact CB-CD1 4.05Å; F46-L90 HydrophobicContact CD1-CD1 3.53Å; F46-L90 HydrophobicContact CE1-CD1 4.06Å; F46-L90 HydrophobicContact CG-CD1 3.79Å; I54-L90 HydrophobicContact CD1-CD2 3.92Å; M71-L90 HydrophobicContact CE-CD2 4.31Å; I81-L90 HydrophobicContact CB-CD1 4.49Å; I81-L90 HydrophobicContact CB-CD2 4.34Å; I81-L90 HydrophobicContact CD1-CD1 4.45Å; I81-L90 HydrophobicContact CG2-CD2 3.96Å; V82-L90 CarbonylContact O-C 3.31Å; V82-L90 WeakPolarHBondContact O-CA 3.43Å; L83-L90 HydrophobicContact CD1-CB 4.27Å; L83-L90 HydrophobicContact CD1-CD1 4.37Å; L90-W102 HydrophobicContact CB-CB 4.23Å; L90-W102 HydrophobicContact CD2-CB 4.47Å; L90-W102 HydrophobicContact CD2-CG 4.1Å; L90-W102 PolarHBondContact N-O 2.9Å; L90-W102 VanDerWaalsContact O-CD1 3.26Å; L90-W102 PolarHBondContact O-N 3.25Å; L90-A104 HydrophobicContact CB-CB 3.88Å |
| 91 | I | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.1 | 171.5 | -53.4 | -62.9 | 0 | 0 | 0 | 107.8 | I81 V82 T89 V99 K100 V101 L123 V132 L149 | I81-I91 CarbonylContact C-O 3.59Å; I81-I91 VanDerWaalsContact CA-O 3.26Å; I81-I91 WeakPolarHBondContact CA-O 3.5Å; V82-I91 PolarHBondContact N-O 3.11Å; V82-I91 PolarHBondContact O-N 3.03Å; T89-I91 HydrophobicContact CG2-CD1 4.22Å; I91-V99 HydrophobicContact CG2-CG1 3.57Å; I91-K100 WeakPolarHBondContact CA-O 3.29Å; I91-V101 HydrophobicContact CD1-CB 4.1Å; I91-V101 HydrophobicContact CD1-CG1 3.82Å; I91-V101 HydrophobicContact CD1-CG2 3.85Å; I91-L123 HydrophobicContact CB-CD1 4.35Å; I91-L123 HydrophobicContact CG2-CD1 4.02Å; I91-L123 HydrophobicContact CG2-CD2 4.29Å; I91-L123 WeakPolarHBondContact O-CD1 3.34Å; I91-V132 HydrophobicContact CG1-CG2 4.27Å; I91-V132 HydrophobicContact CG2-CG1 4.16Å; I91-L149 HydrophobicContact CD1-CD1 4.27Å |
| 92 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.1 | 178.3 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | H74 D80 V99 K100 W102 | H74-S92 PolarHBondContact NE2-OG 3.45Å; D80-S92 WeakPolarHBondContact O-CA 3.21Å; S92-V99 CarbonylContact O-C 3.49Å; S92-V99 WeakPolarHBondContact O-CA 3.06Å; S92-V99 WeakPolarHBondContact O-CG1 3.46Å; S92-K100 PolarHBondContact N-O 3.01Å; S92-K100 PolarHBondContact O-N 2.56Å; S92-W102 PolarHBondContact OG-NE1 3.3Å |
| 93 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V78 N79 D80 V120 L123 | V78-A93 CarbonylContact C-O 3.52Å; N79-A93 PolarHBondContact N-O 3.28Å; D80-A93 HydrophobicContact CB-CB 4.49Å; D80-A93 PolarHBondContact N-O 3.01Å; D80-A93 PolarHBondContact O-N 3.38Å; A93-V120 HydrophobicContact CB-CB 3.83Å; A93-V120 HydrophobicContact CB-CG1 3.51Å; A93-L123 HydrophobicContact CB-CD1 4.06Å; A93-L123 HydrophobicContact CB-CD2 3.95Å; A93-L123 HydrophobicContact CB-CG 3.75Å |
| 94 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 157.2 | -172.9 | 175.8 | 0 | 0 | 0 | 0 | 114.2 | H74 D76 W77 D96 T97 T98 V120 | H74-S94 WeakPolarHBondContact CE1-CB 3.48Å; H74-S94 WeakPolarHBondContact ND1-CB 3.42Å; D76-S94 PolarHBondContact O-OG 3.07Å; W77-S94 CarbonylContact O-C 3.57Å; W77-S94 VanDerWaalsContact O-CA 3.23Å; W77-S94 WeakPolarHBondContact O-CA 3.35Å; W77-S94 PolarHBondContact O-OG 2.96Å; W77-S94 VanDerWaalsContact O-OG 3.11Å; S94-D96 VanDerWaalsContact CB-OD1 3.28Å; S94-D96 WeakPolarHBondContact CB-OD1 3.43Å; S94-D96 PolarHBondContact O-N 2.83Å; S94-D96 PolarHBondContact OG-N 3.1Å; S94-D96 PolarHBondContact OG-OD1 3Å; S94-D96 PolarHBondContact OG-OD2 3.27Å; S94-T97 PolarHBondContact O-N 3.24Å; S94-T98 PolarHBondContact N-O 3.14Å; S94-T98 VanDerWaalsContact N-O 3.15Å; S94-V120 PolarHBondContact O-N 3.01Å |
| 95 | S | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11 | 167.7 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | W77 N79 T97 Y119 | W77-S95 PolarHBondContact O-N 3.43Å; N79-S95 PolarHBondContact ND2-N 2.82Å; N79-S95 VanDerWaalsContact ND2-N 3.17Å; N79-S95 PolarHBondContact ND2-OG 3.22Å; S95-T97 PolarHBondContact O-N 3.1Å; S95-T97 VanDerWaalsContact O-N 3.08Å; S95-Y119 WeakPolarHBondContact O-CD1 3.34Å; S95-Y119 WeakPolarHBondContact O-CE1 3.11Å |
| 96 | D | 97.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 10.4 | 170.4 | 68.6 | 20.1 | 0 | 0 | 0 | 113.9 | H74 T75 D76 S94 T98 | H74-D96 WeakPolarHBondContact CA-OD2 3.37Å; H74-D96 WeakPolarHBondContact CB-OD2 3.44Å; H74-D96 IonicContact CE1-OD1 3.58Å; H74-D96 IonicContact CE1-OD2 3.84Å; H74-D96 IonicContact CG-OD2 3.71Å; H74-D96 IonicContact ND1-OD1 3.06Å; H74-D96 PolarHBondContact ND1-OD1 3.47Å; H74-D96 IonicContact ND1-OD2 2.76Å; H74-D96 PolarHBondContact ND1-OD2 2.93Å; T75-D96 PolarHBondContact N-OD2 3.09Å; T75-D96 VanDerWaalsContact N-OD2 3.16Å; T75-D96 VanDerWaalsContact OG1-CB 3.24Å; T75-D96 WeakPolarHBondContact OG1-CB 3.49Å; D76-D96 HydrophobicContact CB-CB 4.01Å; S94-D96 VanDerWaalsContact CB-OD1 3.28Å; S94-D96 WeakPolarHBondContact CB-OD1 3.43Å; S94-D96 PolarHBondContact O-N 2.83Å; S94-D96 PolarHBondContact OG-N 3.1Å; S94-D96 PolarHBondContact OG-OD1 3Å; S94-D96 PolarHBondContact OG-OD2 3.27Å; D96-T98 PolarHBondContact O-N 3.29Å; D96-T98 VanDerWaalsContact OD1-CB 3.31Å; D96-T98 WeakPolarHBondContact OD1-CB 3.35Å; D96-T98 PolarHBondContact OD1-N 2.89Å; D96-T98 PolarHBondContact OD1-OG1 3.14Å |
| 97 | T | 98.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 72.3 | 5.2 | -179.3 | 73.9 | 0 | 0 | 0 | 0 | 115.1 | S94 S95 | S94-T97 PolarHBondContact O-N 3.24Å; S95-T97 PolarHBondContact O-N 3.1Å; S95-T97 VanDerWaalsContact O-N 3.08Å |
| 98 | T | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | trans | -106.6 | 152.6 | -177.3 | 74.1 | 0 | 0 | 0 | 0 | 113.7 | H74 S94 D96 T112 R114 | H74-T98 PolarHBondContact CE1-OG1 2.96Å; H74-T98 PolarHBondContact ND1-OG1 3Å; S94-T98 PolarHBondContact N-O 3.14Å; S94-T98 VanDerWaalsContact N-O 3.15Å; D96-T98 PolarHBondContact O-N 3.29Å; D96-T98 VanDerWaalsContact OD1-CB 3.31Å; D96-T98 WeakPolarHBondContact OD1-CB 3.35Å; D96-T98 PolarHBondContact OD1-N 2.89Å; D96-T98 PolarHBondContact OD1-OG1 3.14Å; T98-T112 HydrophobicContact CG2-CG2 3.78Å; T98-R114 HydrophobicContact CG2-CG 4.27Å | ||
| 99 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.1 | 160.9 | 175.4 | 0 | 0 | 0 | 0 | 107.7 | I91 S92 L113 V120 | I91-V99 HydrophobicContact CG2-CG1 3.57Å; S92-V99 CarbonylContact O-C 3.49Å; S92-V99 WeakPolarHBondContact O-CA 3.06Å; S92-V99 WeakPolarHBondContact O-CG1 3.46Å; V99-L113 HydrophobicContact CB-CB 4.18Å; V99-L113 HydrophobicContact CB-CD1 4.32Å; V99-L113 HydrophobicContact CG1-CD1 4.07Å; V99-L113 PolarHBondContact N-O 3.04Å; V99-L113 VanDerWaalsContact N-O 3.07Å; V99-L113 PolarHBondContact O-N 3.33Å; V99-V120 HydrophobicContact CG2-CB 4.49Å; V99-V120 HydrophobicContact CG2-CG1 3.9Å; V99-V120 HydrophobicContact CG2-CG2 4.22Å |
| 100 | K | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145.4 | 179.9 | -70.3 | 179.3 | -174.5 | -72.3 | 0 | 111.8 | H73 H74 I91 S92 W102 S111 T112 | H73-K100 HydrophobicContact CB-CD 3.94Å; H73-K100 PolarHBondContact CE1-NZ 2.84Å; H73-K100 WeakPolarHBondContact ND1-CE 3.47Å; H73-K100 PolarHBondContact ND1-NZ 3.03Å; H74-K100 VanDerWaalsContact CE1-CD 3.42Å; H74-K100 WeakPolarHBondContact CE1-CD 3.32Å; H74-K100 WeakPolarHBondContact ND1-CE 3.47Å; I91-K100 WeakPolarHBondContact CA-O 3.29Å; S92-K100 PolarHBondContact N-O 3.01Å; S92-K100 PolarHBondContact O-N 2.56Å; K100-W102 HydrophobicContact CB-CZ2 3.88Å; K100-W102 VanDerWaalsContact CB-NE1 3.34Å; K100-W102 HydrophobicContact CD-CH2 4.25Å; K100-W102 HydrophobicContact CD-CZ2 3.64Å; K100-W102 HydrophobicContact CG-CZ2 4.42Å; K100-W102 PolarHBondContact O-NE1 3.15Å; K100-S111 WeakPolarHBondContact CA-O 3.47Å; K100-T112 HydrophobicContact CG-CG2 4.24Å; K100-T112 PolarHBondContact NZ-OG1 3.2Å |
| 101 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.8 | 177.3 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | T89 I91 M110 S111 L113 L149 | T89-V101 HydrophobicContact CG2-CG1 4.09Å; I91-V101 HydrophobicContact CD1-CB 4.1Å; I91-V101 HydrophobicContact CD1-CG1 3.82Å; I91-V101 HydrophobicContact CD1-CG2 3.85Å; V101-M110 PolarHBondContact O-N 3.46Å; V101-S111 PolarHBondContact N-O 3.18Å; V101-S111 PolarHBondContact O-N 2.88Å; V101-L113 HydrophobicContact CG2-CD1 4.49Å; V101-L149 HydrophobicContact CG2-CB 4.2Å; V101-L149 HydrophobicContact CG2-CD1 3.93Å; V101-L149 HydrophobicContact CG2-CG 4.5Å |
| 102 | W | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.7 | -172.6 | -51.6 | 80 | 0 | 0 | 0 | 111.5 | I54 M71 H73 H74 T89 L90 S92 K100 A104 F108 C109 | I54-W102 HydrophobicContact CD1-CZ2 4.1Å; M71-W102 HydrophobicContact CB-CE3 3.99Å; M71-W102 HydrophobicContact CB-CH2 4.43Å; M71-W102 HydrophobicContact CB-CZ3 3.79Å; M71-W102 HydrophobicContact CE-CB 3.4Å; M71-W102 VanDerWaalsContact CE-CB 3.4Å; M71-W102 HydrophobicContact CE-CD2 3.53Å; M71-W102 HydrophobicContact CE-CE3 3.48Å; M71-W102 VanDerWaalsContact CE-CE3 3.48Å; M71-W102 HydrophobicContact CE-CG 3.51Å; M71-W102 HydrophobicContact CE-CZ3 4.38Å; H73-W102 HydrophobicContact CB-CH2 3.45Å; H73-W102 VanDerWaalsContact CB-CH2 3.45Å; H73-W102 HydrophobicContact CB-CZ2 4.25Å; H73-W102 HydrophobicContact CB-CZ3 4.1Å; H74-W102 AromaticContact CD2-CZ2 3.91Å; T89-W102 WeakPolarHBondContact CA-O 3.48Å; L90-W102 HydrophobicContact CB-CB 4.23Å; L90-W102 HydrophobicContact CD2-CB 4.47Å; L90-W102 HydrophobicContact CD2-CG 4.1Å; L90-W102 PolarHBondContact N-O 2.9Å; L90-W102 VanDerWaalsContact O-CD1 3.26Å; L90-W102 PolarHBondContact O-N 3.25Å; S92-W102 PolarHBondContact OG-NE1 3.3Å; K100-W102 HydrophobicContact CB-CZ2 3.88Å; K100-W102 VanDerWaalsContact CB-NE1 3.34Å; K100-W102 HydrophobicContact CD-CH2 4.25Å; K100-W102 HydrophobicContact CD-CZ2 3.64Å; K100-W102 HydrophobicContact CG-CZ2 4.42Å; K100-W102 PolarHBondContact O-NE1 3.15Å; W102-A104 PolarHBondContact O-N 3.46Å; W102-F108 WeakPolarHBondContact CA-O 3.4Å; W102-C109 HydrophobicContact CD2-CB 4.14Å; W102-C109 VanDerWaalsContact CE3-CA 3.47Å; W102-C109 HydrophobicContact CE3-CB 3.62Å; W102-C109 VanDerWaalsContact CE3-N 3.34Å; W102-C109 HydrophobicContact CH2-CB 4.05Å; W102-C109 HydrophobicContact CZ3-CB 3.57Å |
| 103 | N | 98.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 21% | 0.209 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 106.8 | 159.5 | -170.9 | -59.2 | 0 | 0 | 0 | 108.2 | H105 K106 G107 F108 M110 | N103-H105 VanDerWaalsContact C-N 3.34Å; N103-H105 PolarHBondContact O-N 3.15Å; N103-H105 PolarHBondContact OD1-N 3.19Å; N103-K106 HydrophobicContact CB-CB 4.43Å; N103-K106 WeakPolarHBondContact OD1-CB 3.45Å; N103-K106 PolarHBondContact OD1-N 3.29Å; N103-G107 WeakPolarHBondContact O-CA 3.48Å; N103-G107 PolarHBondContact O-N 3.23Å; N103-F108 HydrophobicContact CB-CD1 4.08Å; N103-F108 HydrophobicContact CB-CE1 3.68Å; N103-F108 HydrophobicContact CB-CE2 4.49Å; N103-F108 HydrophobicContact CB-CZ 3.9Å; N103-F108 PolarHBondContact N-O 2.9Å; N103-F108 PolarHBondContact O-N 2.83Å; N103-M110 HydrophobicContact CB-CG 4.32Å; N103-M110 HydrophobicContact CB-SD 3.96Å |
| 104 | A | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -23 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F46 L83 G87 K88 L90 W102 | F46-A104 HydrophobicContact CE1-CB 4.12Å; F46-A104 HydrophobicContact CZ-CB 4Å; L83-A104 HydrophobicContact CD1-CB 3.87Å; G87-A104 WeakPolarHBondContact O-CB 3.39Å; K88-A104 PolarHBondContact O-N 3.49Å; L90-A104 HydrophobicContact CB-CB 3.88Å; W102-A104 PolarHBondContact O-N 3.46Å |
| 105 | H | 95 | Very high | 97 | Very high | 84 Ų | 84 | 35.4 Ų | 35.4 | 39% | 0.389 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -42 | 176.3 | -71.9 | -173.6 | 0 | 0 | 0 | 112.4 | G87 N103 | G87-H105 PolarHBondContact O-CD2 2.8Å; G87-H105 PolarHBondContact O-NE2 3.25Å; N103-H105 VanDerWaalsContact C-N 3.34Å; N103-H105 PolarHBondContact O-N 3.15Å; N103-H105 PolarHBondContact OD1-N 3.19Å |
| 106 | K | 94.9 | Very high | 96.9 | Very high | 168 Ų | 168 | 35.3 Ų | 35.3 | 73% | 0.73 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -18.2 | -177.7 | -67.5 | -177.8 | 171.5 | -174.1 | 0 | 113.6 | N103 F108 | N103-K106 HydrophobicContact CB-CB 4.43Å; N103-K106 WeakPolarHBondContact OD1-CB 3.45Å; N103-K106 PolarHBondContact OD1-N 3.29Å; K106-F108 HydrophobicContact CB-CD1 3.64Å; K106-F108 HydrophobicContact CB-CE1 3.63Å; K106-F108 HydrophobicContact CD-CE1 3.76Å; K106-F108 HydrophobicContact CG-CE1 4.33Å |
| 107 | G | 95.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 32.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N103 | N103-G107 WeakPolarHBondContact O-CA 3.48Å; N103-G107 PolarHBondContact O-N 3.23Å |
| 108 | F | 96.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 154.2 | 177.7 | 72.6 | -89.5 | 0 | 0 | 0 | 113 | W102 N103 K106 M110 | W102-F108 WeakPolarHBondContact CA-O 3.4Å; N103-F108 HydrophobicContact CB-CD1 4.08Å; N103-F108 HydrophobicContact CB-CE1 3.68Å; N103-F108 HydrophobicContact CB-CE2 4.49Å; N103-F108 HydrophobicContact CB-CZ 3.9Å; N103-F108 PolarHBondContact N-O 2.9Å; N103-F108 PolarHBondContact O-N 2.83Å; K106-F108 HydrophobicContact CB-CD1 3.64Å; K106-F108 HydrophobicContact CB-CE1 3.63Å; K106-F108 HydrophobicContact CD-CE1 3.76Å; K106-F108 HydrophobicContact CG-CE1 4.33Å; F108-M110 HydrophobicContact CD2-CG 4.32Å; F108-M110 HydrophobicContact CE2-CG 3.73Å; F108-M110 HydrophobicContact CZ-CG 4.3Å |
| 109 | C | 97.8 | Very high | 96.8 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127.3 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | H73 W102 | H73-C109 HydrophobicContact CB-CB 4.22Å; W102-C109 HydrophobicContact CD2-CB 4.14Å; W102-C109 VanDerWaalsContact CE3-CA 3.47Å; W102-C109 HydrophobicContact CE3-CB 3.62Å; W102-C109 VanDerWaalsContact CE3-N 3.34Å; W102-C109 HydrophobicContact CH2-CB 4.05Å; W102-C109 HydrophobicContact CZ3-CB 3.57Å |
| 110 | M | 96.3 | Very high | 96.8 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 35% | 0.345 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -37.5 | 178.3 | -64 | 174.3 | 60.4 | 0 | 0 | 112.4 | V101 N103 F108 | V101-M110 PolarHBondContact O-N 3.46Å; N103-M110 HydrophobicContact CB-CG 4.32Å; N103-M110 HydrophobicContact CB-SD 3.96Å; F108-M110 HydrophobicContact CD2-CG 4.32Å; F108-M110 HydrophobicContact CE2-CG 3.73Å; F108-M110 HydrophobicContact CZ-CG 4.3Å |
| 111 | S | 94.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 16% | 0.161 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 152.4 | -174.2 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | K100 V101 | K100-S111 WeakPolarHBondContact CA-O 3.47Å; V101-S111 PolarHBondContact N-O 3.18Å; V101-S111 PolarHBondContact O-N 2.88Å |
| 112 | T | 96 | Very high | 96.8 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 26% | 0.258 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.1 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | T98 K100 R114 | T98-T112 HydrophobicContact CG2-CG2 3.78Å; K100-T112 HydrophobicContact CG-CG2 4.24Å; K100-T112 PolarHBondContact NZ-OG1 3.2Å; T112-R114 HydrophobicContact CG2-CG 3.92Å |
| 113 | L | 96.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123 | 176.6 | -48.4 | 175.7 | 0 | 0 | 0 | 108.9 | V99 V101 W144 L149 V159 | V99-L113 HydrophobicContact CB-CB 4.18Å; V99-L113 HydrophobicContact CB-CD1 4.32Å; V99-L113 HydrophobicContact CG1-CD1 4.07Å; V99-L113 PolarHBondContact N-O 3.04Å; V99-L113 VanDerWaalsContact N-O 3.07Å; V99-L113 PolarHBondContact O-N 3.33Å; V101-L113 HydrophobicContact CG2-CD1 4.49Å; L113-W144 HydrophobicContact CB-CH2 4.21Å; L113-W144 HydrophobicContact CB-CZ2 4.45Å; L113-W144 HydrophobicContact CD1-CD2 3.86Å; L113-W144 HydrophobicContact CD1-CE3 3.85Å; L113-W144 HydrophobicContact CD1-CG 4.47Å; L113-W144 HydrophobicContact CD1-CH2 4.02Å; L113-W144 HydrophobicContact CD1-CZ2 4.06Å; L113-W144 HydrophobicContact CD1-CZ3 3.94Å; L113-W144 HydrophobicContact CD2-CZ3 4.4Å; L113-L149 HydrophobicContact CD1-CD1 3.99Å; L113-L149 HydrophobicContact CD1-CD2 3.87Å; L113-L149 HydrophobicContact CD2-CD2 3.86Å; L113-L149 HydrophobicContact CG-CD2 4.46Å; L113-V159 HydrophobicContact CD2-CG1 4.28Å |
| 114 | R | 95.1 | Very high | 96.8 | Very high | 105 Ų | 105 | 50.5 Ų | 50.5 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | trans | -117.9 | 34.5 | -170.9 | -59.1 | 179.5 | 169.8 | 161.5 | -9.1 | 113.3 | T98 T112 R528 L530 | T98-R114 HydrophobicContact CG2-CG 4.27Å; T112-R114 HydrophobicContact CG2-CG 3.92Å; R114-R528 PolarHBondContact O-NH1 3.46Å; R114-L530 PolarHBondContact NH2-O 2.91Å | ||
| 115 | T | 95.2 | Very high | 96.8 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | trans | -84.2 | -31.4 | -176.2 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | W144 T161 | T115-W144 HydrophobicContact CG2-CH2 3.74Å; T115-W144 HydrophobicContact CG2-CZ2 4.49Å; T115-W144 WeakPolarHBondContact OG1-CH2 3.46Å; T115-W144 WeakPolarHBondContact OG1-CZ2 3.36Å; T115-T161 HydrophobicContact CG2-CG2 3.7Å | ||
| 116 | H | 96.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -69.5 | 148.5 | 174.3 | -75.4 | -76.9 | 0 | 0 | 0 | 111.4 | V120 S134 D138 F142 | H116-V120 HydrophobicContact CB-CG2 3.65Å; H116-S134 PolarHBondContact CE1-O 2.83Å; H116-S134 WeakPolarHBondContact NE2-CB 3.03Å; H116-S134 PolarHBondContact NE2-O 2.62Å; H116-S134 PolarHBondContact NE2-OG 3.25Å; H116-D138 VanDerWaalsContact CA-OD2 3.27Å; H116-D138 WeakPolarHBondContact CA-OD2 3.07Å; H116-D138 IonicContact CE1-OD1 2.68Å; H116-D138 IonicContact CG-OD2 3.34Å; H116-D138 IonicContact ND1-OD1 4Å; H116-D138 PolarHBondContact ND1-OD1 3.04Å; H116-D138 IonicContact ND1-OD2 2.76Å; H116-D138 PolarHBondContact ND1-OD2 3.47Å; H116-F142 AromaticContact CD2-CD2 3.95Å; H116-F142 AromaticContact CE1-CD2 3.53Å; H116-F142 AromaticContact CE1-CE2 3.94Å; H116-F142 AromaticContact ND1-CD2 3.94Å; H116-F142 AromaticContact ND1-CE2 3.89Å; H116-F142 AromaticContact NE2-CD2 3.54Å | ||
| 117 | K | 95.4 | Very high | 96.9 | Very high | 167 Ų | 167 | 46 Ų | 46 | 73% | 0.726 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -111.5 | -2.2 | -175.4 | -63.5 | 178.9 | 179.9 | 174.8 | 0 | 113.9 | D138 | K117-D138 HydrophobicContact CB-CB 4.23Å; K117-D138 PolarHBondContact N-OD2 2.74Å; K117-D138 VanDerWaalsContact N-OD2 3.1Å |
| 118 | D | 97.4 | Very high | 96.9 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -154 | -177.8 | -179.2 | -155.2 | -22.7 | 0 | 0 | 0 | 107.9 | V120 L137 D138 | D118-V120 PolarHBondContact O-N 3.25Å; D118-L137 HydrophobicContact CB-CB 3.98Å; D118-D138 HydrophobicContact CB-CB 3.87Å |
| 119 | Y | 98.6 | Very high | 96.8 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | trans | -58.2 | 127 | -171.4 | -61.5 | -2.1 | 0 | 0 | 0 | 111.4 | S95 K121 G136 L137 | S95-Y119 WeakPolarHBondContact O-CD1 3.34Å; S95-Y119 WeakPolarHBondContact O-CE1 3.11Å; Y119-K121 PolarHBondContact O-N 3.3Å; Y119-G136 CarbonylContact O-C 3.6Å; Y119-G136 WeakPolarHBondContact O-CA 3.5Å; Y119-L137 HydrophobicContact CD2-CD1 3.89Å; Y119-L137 HydrophobicContact CG-CD1 4.01Å; Y119-L137 PolarHBondContact O-N 3.23Å | ||
| 120 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.2 | 175.2 | -163.6 | 0 | 0 | 0 | 0 | 107.7 | N79 A93 S94 V99 H116 D118 A135 | N79-V120 WeakPolarHBondContact CB-O 3.3Å; N79-V120 PolarHBondContact ND2-O 3.07Å; A93-V120 HydrophobicContact CB-CB 3.83Å; A93-V120 HydrophobicContact CB-CG1 3.51Å; S94-V120 PolarHBondContact O-N 3.01Å; V99-V120 HydrophobicContact CG2-CB 4.49Å; V99-V120 HydrophobicContact CG2-CG1 3.9Å; V99-V120 HydrophobicContact CG2-CG2 4.22Å; H116-V120 HydrophobicContact CB-CG2 3.65Å; D118-V120 PolarHBondContact O-N 3.25Å; V120-A135 WeakPolarHBondContact CG1-O 3.04Å |
| 121 | K | 98.8 | Very high | 96.8 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -29.5 | -166.6 | -66.1 | -54.8 | -56.9 | 175.9 | 0 | 114.1 | N79 Y119 A135 L137 I171 | N79-K121 PolarHBondContact OD1-NZ 3.08Å; Y119-K121 PolarHBondContact O-N 3.3Å; K121-A135 PolarHBondContact N-O 2.9Å; K121-L137 HydrophobicContact CD-CD2 4.23Å; K121-L137 HydrophobicContact CD-CG 4.26Å; K121-L137 HydrophobicContact CG-CD2 3.75Å; K121-L137 HydrophobicContact CG-CG 3.95Å; K121-I171 WeakPolarHBondContact CB-O 3.37Å |
| 122 | A | 98.7 | Very high | 97 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 147.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A135 L174 | A122-A135 PolarHBondContact N-O 3.42Å; A122-A135 VanDerWaalsContact N-O 3.1Å; A122-A135 PolarHBondContact O-N 3.35Å; A122-L174 HydrophobicContact CB-CB 3.84Å |
| 123 | L | 98.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 152.8 | 168.9 | -66.3 | 173.7 | 0 | 0 | 0 | 109.7 | D80 V82 I91 A93 V132 A133 | D80-L123 HydrophobicContact CB-CB 4.34Å; D80-L123 HydrophobicContact CB-CD1 4.46Å; D80-L123 HydrophobicContact CB-CG 4.22Å; D80-L123 PolarHBondContact OD2-N 3.44Å; V82-L123 HydrophobicContact CB-CD1 4.41Å; V82-L123 HydrophobicContact CG2-CB 3.59Å; V82-L123 HydrophobicContact CG2-CD1 4.1Å; I91-L123 HydrophobicContact CB-CD1 4.35Å; I91-L123 HydrophobicContact CG2-CD1 4.02Å; I91-L123 HydrophobicContact CG2-CD2 4.29Å; I91-L123 WeakPolarHBondContact O-CD1 3.34Å; A93-L123 HydrophobicContact CB-CD1 4.06Å; A93-L123 HydrophobicContact CB-CD2 3.95Å; A93-L123 HydrophobicContact CB-CG 3.75Å; L123-V132 HydrophobicContact CD2-CG1 4.19Å; L123-A133 CarbonylContact C-O 3.38Å; L123-A133 VanDerWaalsContact CA-O 3.25Å; L123-A133 WeakPolarHBondContact CA-O 3.19Å; L123-A133 WeakPolarHBondContact CD2-O 3.46Å |
| 124 | A | 98.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V132 A133 L174 M176 | A124-V132 CarbonylContact O-C 3.57Å; A124-V132 VanDerWaalsContact O-CA 3.27Å; A124-V132 WeakPolarHBondContact O-CA 3.4Å; A124-A133 HydrophobicContact CB-CB 4.35Å; A124-A133 PolarHBondContact N-O 3.46Å; A124-A133 PolarHBondContact O-N 3.31Å; A124-L174 HydrophobicContact CB-CB 4.05Å; A124-L174 HydrophobicContact CB-CD2 3.82Å; A124-L174 HydrophobicContact CB-CG 3.69Å; A124-M176 HydrophobicContact CB-CB 3.98Å |
| 125 | Y | 98.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 18% | 0.184 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 130.2 | -172 | 178.4 | -129.8 | 0 | 0 | 0 | 112.1 | V82 C84 K127 E130 L131 V132 | V82-Y125 HydrophobicContact CG1-CD1 4.01Å; V82-Y125 HydrophobicContact CG1-CD2 3.97Å; V82-Y125 HydrophobicContact CG1-CG 3.6Å; C84-Y125 HydrophobicContact CB-CD2 4.31Å; C84-Y125 HydrophobicContact CB-CE1 4.36Å; C84-Y125 HydrophobicContact CB-CE2 3.54Å; Y125-K127 HydrophobicContact CD1-CB 4.43Å; Y125-K127 HydrophobicContact CE1-CB 3.73Å; Y125-K127 HydrophobicContact CE1-CG 4.05Å; Y125-E130 WeakPolarHBondContact CE2-OE2 3.18Å; Y125-E130 PolarHBondContact OH-OE1 3.09Å; Y125-E130 PolarHBondContact OH-OE2 3.43Å; Y125-L131 WeakPolarHBondContact CA-O 3.4Å; Y125-L131 WeakPolarHBondContact CD2-O 3.41Å; Y125-V132 HydrophobicContact CD2-CG2 3.7Å; Y125-V132 HydrophobicContact CE2-CG2 4.39Å |
| 126 | A | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 104.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D128 K129 E130 L131 M176 N177 G180 | A126-D128 PolarHBondContact O-N 2.74Å; A126-K129 PolarHBondContact O-N 2.89Å; A126-E130 PolarHBondContact O-N 3.38Å; A126-L131 HydrophobicContact CB-CB 4.38Å; A126-L131 PolarHBondContact N-O 3.01Å; A126-L131 PolarHBondContact O-N 3.09Å; A126-M176 HydrophobicContact CB-CG 3.97Å; A126-M176 HydrophobicContact CB-SD 3.37Å; A126-M176 WeakPolarHBondContact CB-SD 3.36Å; A126-N177 WeakPolarHBondContact CB-O 3.36Å; A126-G180 VanDerWaalsContact CB-CA 3.41Å |
| 127 | K | 94.9 | Very high | 97.6 | Very high | 111 Ų | 111 | 39.7 Ų | 39.7 | 48% | 0.483 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -59.4 | -43.2 | -175.3 | -172 | 176.8 | 179.5 | 176.1 | 0 | 113.5 | Y125 K129 E130 Q178 | Y125-K127 HydrophobicContact CD1-CB 4.43Å; Y125-K127 HydrophobicContact CE1-CB 3.73Å; Y125-K127 HydrophobicContact CE1-CG 4.05Å; K127-K129 PolarHBondContact O-N 3.25Å; K127-K129 VanDerWaalsContact O-N 3.12Å; K127-E130 PolarHBondContact O-N 2.95Å; K127-Q178 HydrophobicContact CB-CG 4Å; K127-Q178 PolarHBondContact N-O 3.46Å |
| 128 | D | 94.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 33 Ų | 33 | 43% | 0.433 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -70.6 | -14.2 | -172.8 | -61.3 | -9.4 | 0 | 0 | 0 | 112.9 | A126 Q178 | A126-D128 PolarHBondContact O-N 2.74Å; D128-Q178 WeakPolarHBondContact CB-O 3.19Å; D128-Q178 PolarHBondContact N-O 2.99Å; D128-Q178 VanDerWaalsContact N-O 3.1Å; D128-Q178 WeakPolarHBondContact OD1-CG 3.36Å; D128-Q178 PolarHBondContact OD1-NE2 3.29Å |
| 129 | K | 94.8 | Very high | 97.7 | Very high | 126 Ų | 126 | 36 Ų | 36 | 55% | 0.548 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -115.9 | -3.8 | 178.6 | -63.4 | -59.9 | -178.7 | -169.5 | 0 | 113.6 | A126 K127 L131 | A126-K129 PolarHBondContact O-N 2.89Å; K127-K129 PolarHBondContact O-N 3.25Å; K127-K129 VanDerWaalsContact O-N 3.12Å; K129-L131 HydrophobicContact CB-CB 4.09Å; K129-L131 PolarHBondContact O-N 2.72Å |
| 130 | E | 97.1 | Very high | 97.7 | Very high | 30 Ų | 30 | 34.6 Ų | 34.6 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 43.7 | -169.1 | -63.7 | -67.4 | 177.4 | 0 | 0 | 111.8 | C84 C85 Y125 A126 K127 V146 | C84-E130 WeakPolarHBondContact CB-OE2 3.25Å; C85-E130 WeakPolarHBondContact CA-OE1 3.09Å; C85-E130 PolarHBondContact N-OE1 3.3Å; C85-E130 PolarHBondContact N-OE2 3.27Å; C85-E130 VanDerWaalsContact N-OE2 3.15Å; Y125-E130 WeakPolarHBondContact CE2-OE2 3.18Å; Y125-E130 PolarHBondContact OH-OE1 3.09Å; Y125-E130 PolarHBondContact OH-OE2 3.43Å; A126-E130 PolarHBondContact O-N 3.38Å; K127-E130 PolarHBondContact O-N 2.95Å; E130-V146 HydrophobicContact CB-CB 4.35Å; E130-V146 WeakPolarHBondContact O-CB 3.35Å; E130-V146 VanDerWaalsContact O-CG2 3.24Å; E130-V146 WeakPolarHBondContact O-CG2 3.24Å; E130-V146 PolarHBondContact O-N 2.91Å |
| 131 | L | 97.2 | Very high | 97.7 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 17% | 0.168 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.2 | -177.9 | -176.3 | 72.5 | 0 | 0 | 0 | 109.6 | Y125 A126 K129 W144 M176 P197 | Y125-L131 WeakPolarHBondContact CA-O 3.4Å; Y125-L131 WeakPolarHBondContact CD2-O 3.41Å; A126-L131 HydrophobicContact CB-CB 4.38Å; A126-L131 PolarHBondContact N-O 3.01Å; A126-L131 PolarHBondContact O-N 3.09Å; K129-L131 HydrophobicContact CB-CB 4.09Å; K129-L131 PolarHBondContact O-N 2.72Å; L131-W144 WeakPolarHBondContact CD1-O 3.35Å; L131-M176 HydrophobicContact CD2-CE 4.08Å; L131-M176 HydrophobicContact CD2-SD 3.87Å; L131-M176 HydrophobicContact CG-CE 4.35Å; L131-M176 HydrophobicContact CG-SD 4.33Å; L131-P197 HydrophobicContact CD2-CB 4.18Å |
| 132 | V | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.6 | 175.9 | 172 | 0 | 0 | 0 | 0 | 109.9 | V82 I91 L123 A124 Y125 W144 V146 | V82-V132 HydrophobicContact CG1-CG2 4.19Å; I91-V132 HydrophobicContact CG1-CG2 4.27Å; I91-V132 HydrophobicContact CG2-CG1 4.16Å; L123-V132 HydrophobicContact CD2-CG1 4.19Å; A124-V132 CarbonylContact O-C 3.57Å; A124-V132 VanDerWaalsContact O-CA 3.27Å; A124-V132 WeakPolarHBondContact O-CA 3.4Å; Y125-V132 HydrophobicContact CD2-CG2 3.7Å; Y125-V132 HydrophobicContact CE2-CG2 4.39Å; V132-W144 PolarHBondContact N-O 2.92Å; V132-W144 PolarHBondContact O-N 3.11Å; V132-V146 HydrophobicContact CB-CG2 4.2Å; V132-V146 HydrophobicContact CG2-CG2 3.53Å |
| 133 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L123 A124 I141 F142 L143 L174 M176 I183 | L123-A133 CarbonylContact C-O 3.38Å; L123-A133 VanDerWaalsContact CA-O 3.25Å; L123-A133 WeakPolarHBondContact CA-O 3.19Å; L123-A133 WeakPolarHBondContact CD2-O 3.46Å; A124-A133 HydrophobicContact CB-CB 4.35Å; A124-A133 PolarHBondContact N-O 3.46Å; A124-A133 PolarHBondContact O-N 3.31Å; A133-I141 HydrophobicContact CB-CG2 4.26Å; A133-F142 CarbonylContact C-O 3.56Å; A133-F142 WeakPolarHBondContact CA-O 3.3Å; A133-L143 HydrophobicContact CB-CD2 3.6Å; A133-L174 HydrophobicContact CB-CD2 3.58Å; A133-M176 HydrophobicContact CB-CE 3.73Å; A133-I183 HydrophobicContact CB-CD1 3.5Å; A133-I183 VanDerWaalsContact CB-CD1 3.5Å |
| 134 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.2 | 175.3 | 64.2 | 0 | 0 | 0 | 0 | 111.3 | H116 I141 F142 W144 | H116-S134 PolarHBondContact CE1-O 2.83Å; H116-S134 WeakPolarHBondContact NE2-CB 3.03Å; H116-S134 PolarHBondContact NE2-O 2.62Å; H116-S134 PolarHBondContact NE2-OG 3.25Å; S134-I141 CarbonylContact O-C 3.54Å; S134-I141 VanDerWaalsContact O-CA 3.26Å; S134-I141 WeakPolarHBondContact O-CA 3.32Å; S134-F142 PolarHBondContact N-O 2.97Å; S134-F142 PolarHBondContact O-N 3.37Å; S134-W144 PolarHBondContact OG-NE1 3.26Å |
| 135 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V120 K121 A122 Q140 I141 I171 L174 | V120-A135 WeakPolarHBondContact CG1-O 3.04Å; K121-A135 PolarHBondContact N-O 2.9Å; A122-A135 PolarHBondContact N-O 3.42Å; A122-A135 VanDerWaalsContact N-O 3.1Å; A122-A135 PolarHBondContact O-N 3.35Å; A135-Q140 WeakPolarHBondContact CA-O 3.32Å; A135-I141 HydrophobicContact CB-CG1 3.92Å; A135-I171 HydrophobicContact CB-CB 4.14Å; A135-I171 HydrophobicContact CB-CD1 3.97Å; A135-I171 HydrophobicContact CB-CG2 3.72Å; A135-L174 HydrophobicContact CB-CD1 4.05Å; A135-L174 HydrophobicContact CB-CD2 3.84Å; A135-L174 HydrophobicContact CB-CG 4.38Å |
| 136 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | -164.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y119 D138 R139 I171 | Y119-G136 CarbonylContact O-C 3.6Å; Y119-G136 WeakPolarHBondContact O-CA 3.5Å; G136-D138 PolarHBondContact O-N 3.14Å; G136-R139 PolarHBondContact O-N 3.04Å; G136-I171 PolarHBondContact O-N 3.13Å |
| 137 | L | 98.5 | Very high | 97.1 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.2 | -179 | -57.5 | -173.7 | 0 | 0 | 0 | 112.8 | D118 Y119 K121 R139 S170 Y172 | D118-L137 HydrophobicContact CB-CB 3.98Å; Y119-L137 HydrophobicContact CD2-CD1 3.89Å; Y119-L137 HydrophobicContact CG-CD1 4.01Å; Y119-L137 PolarHBondContact O-N 3.23Å; K121-L137 HydrophobicContact CD-CD2 4.23Å; K121-L137 HydrophobicContact CD-CG 4.26Å; K121-L137 HydrophobicContact CG-CD2 3.75Å; K121-L137 HydrophobicContact CG-CG 3.95Å; L137-R139 PolarHBondContact O-N 2.93Å; L137-S170 PolarHBondContact O-OG 2.86Å; L137-S170 VanDerWaalsContact O-OG 3.05Å; L137-Y172 HydrophobicContact CD2-CE1 4.49Å; L137-Y172 HydrophobicContact CD2-CE2 3.95Å |
| 138 | D | 97.1 | Very high | 97 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -1.1 | 174.3 | 73.2 | -12.2 | 0 | 0 | 0 | 113.7 | H116 K117 D118 G136 Q140 | H116-D138 VanDerWaalsContact CA-OD2 3.27Å; H116-D138 WeakPolarHBondContact CA-OD2 3.07Å; H116-D138 IonicContact CE1-OD1 2.68Å; H116-D138 IonicContact CG-OD2 3.34Å; H116-D138 IonicContact ND1-OD1 4Å; H116-D138 PolarHBondContact ND1-OD1 3.04Å; H116-D138 IonicContact ND1-OD2 2.76Å; H116-D138 PolarHBondContact ND1-OD2 3.47Å; K117-D138 HydrophobicContact CB-CB 4.23Å; K117-D138 PolarHBondContact N-OD2 2.74Å; K117-D138 VanDerWaalsContact N-OD2 3.1Å; D118-D138 HydrophobicContact CB-CB 3.87Å; G136-D138 PolarHBondContact O-N 3.14Å; D138-Q140 PolarHBondContact O-N 3.46Å; D138-Q140 VanDerWaalsContact O-N 3.13Å; D138-Q140 PolarHBondContact OD1-N 3.45Å; D138-Q140 VanDerWaalsContact OD1-N 3.11Å; D138-Q140 PolarHBondContact OD2-NE2 2.96Å |
| 139 | R | 98.1 | Very high | 97 | Very high | 126 Ų | 126 | 31.6 Ų | 31.6 | 48% | 0.475 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 67.9 | 6.7 | 175.7 | -41.1 | 175.9 | -179.2 | 164.3 | -1.2 | 113.6 | G136 L137 N167 | G136-R139 PolarHBondContact O-N 3.04Å; L137-R139 PolarHBondContact O-N 2.93Å; R139-N167 HydrophobicContact CB-CB 4.41Å |
| 140 | Q | 97.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 27.8 Ų | 27.8 | 27% | 0.271 | 14% | 0.139 | S | C | . | . | trans | -94.1 | 149.9 | 178.5 | -60.2 | -175.2 | 108.5 | 0 | 0 | 110.1 | A135 D138 F142 | A135-Q140 WeakPolarHBondContact CA-O 3.32Å; D138-Q140 PolarHBondContact O-N 3.46Å; D138-Q140 VanDerWaalsContact O-N 3.13Å; D138-Q140 PolarHBondContact OD1-N 3.45Å; D138-Q140 VanDerWaalsContact OD1-N 3.11Å; D138-Q140 PolarHBondContact OD2-NE2 2.96Å; Q140-F142 HydrophobicContact CB-CD2 4.45Å; Q140-F142 HydrophobicContact CB-CE2 3.82Å; Q140-F142 HydrophobicContact CB-CZ 4.17Å | ||
| 141 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.5 | 168.2 | -53.9 | 170.6 | 0 | 0 | 0 | 106.7 | A133 S134 A135 S163 L164 N167 I171 L174 I183 W195 | A133-I141 HydrophobicContact CB-CG2 4.26Å; S134-I141 CarbonylContact O-C 3.54Å; S134-I141 VanDerWaalsContact O-CA 3.26Å; S134-I141 WeakPolarHBondContact O-CA 3.32Å; A135-I141 HydrophobicContact CB-CG1 3.92Å; I141-S163 CarbonylContact O-C 3.55Å; I141-S163 WeakPolarHBondContact O-CA 3.37Å; I141-L164 HydrophobicContact CB-CB 4.09Å; I141-L164 HydrophobicContact CB-CD1 4.43Å; I141-L164 HydrophobicContact CB-CG 4.47Å; I141-L164 HydrophobicContact CD1-CB 4.44Å; I141-L164 HydrophobicContact CG2-CD1 4.06Å; I141-L164 HydrophobicContact CG2-CG 4.45Å; I141-L164 PolarHBondContact O-N 2.61Å; I141-N167 WeakPolarHBondContact CD1-ND2 3.36Å; I141-I171 HydrophobicContact CD1-CD1 4.1Å; I141-I171 HydrophobicContact CG1-CD1 3.58Å; I141-L174 HydrophobicContact CD1-CD1 3.93Å; I141-L174 HydrophobicContact CG1-CD1 4.33Å; I141-L174 HydrophobicContact CG2-CD1 4.27Å; I141-L174 HydrophobicContact CG2-CD2 4.21Å; I141-I183 HydrophobicContact CG2-CD1 4.02Å; I141-W195 HydrophobicContact CD1-CE3 4.49Å; I141-W195 HydrophobicContact CD1-CH2 3.93Å; I141-W195 HydrophobicContact CD1-CZ3 3.88Å |
| 142 | F | 98.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.9 | 173.1 | -65.3 | -77.8 | 0 | 0 | 0 | 110.6 | H116 A133 S134 Q140 W144 S162 | H116-F142 AromaticContact CD2-CD2 3.95Å; H116-F142 AromaticContact CE1-CD2 3.53Å; H116-F142 AromaticContact CE1-CE2 3.94Å; H116-F142 AromaticContact ND1-CD2 3.94Å; H116-F142 AromaticContact ND1-CE2 3.89Å; H116-F142 AromaticContact NE2-CD2 3.54Å; A133-F142 CarbonylContact C-O 3.56Å; A133-F142 WeakPolarHBondContact CA-O 3.3Å; S134-F142 PolarHBondContact N-O 2.97Å; S134-F142 PolarHBondContact O-N 3.37Å; Q140-F142 HydrophobicContact CB-CD2 4.45Å; Q140-F142 HydrophobicContact CB-CE2 3.82Å; Q140-F142 HydrophobicContact CB-CZ 4.17Å; F142-W144 HydrophobicContact CB-CD2 4.49Å; F142-W144 HydrophobicContact CB-CH2 4.31Å; F142-W144 HydrophobicContact CB-CZ2 3.43Å; F142-W144 VanDerWaalsContact CB-CZ2 3.43Å; F142-W144 HydrophobicContact CD2-CZ2 4.42Å; F142-W144 AromaticContact CG-CZ2 3.95Å; F142-W144 HydrophobicContact CG-CZ2 3.95Å; F142-S162 WeakPolarHBondContact CA-O 3.48Å |
| 143 | L | 98.2 | Very high | 95.7 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138 | 175.9 | -58.3 | 177.6 | 0 | 0 | 0 | 109.9 | A133 S162 L164 M176 I183 P197 | A133-L143 HydrophobicContact CB-CD2 3.6Å; L143-S162 PolarHBondContact N-O 2.83Å; L143-L164 HydrophobicContact CD1-CD1 4.49Å; L143-L164 HydrophobicContact CD1-CD2 4.14Å; L143-L164 HydrophobicContact CD1-CG 4.35Å; L143-L164 HydrophobicContact CD2-CD1 4.29Å; L143-L164 HydrophobicContact CG-CG 4.44Å; L143-M176 HydrophobicContact CD2-CE 4.05Å; L143-I183 HydrophobicContact CD2-CD1 4.12Å; L143-P197 HydrophobicContact CD1-CB 3.83Å; L143-P197 VanDerWaalsContact CD1-O 3.26Å; L143-P197 WeakPolarHBondContact CD1-O 3.39Å; L143-P197 HydrophobicContact CD2-CB 4.3Å |
| 144 | W | 97.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 118.7 | -172.1 | -47.4 | 101.7 | 0 | 0 | 0 | 110.8 | L113 T115 L131 V132 S134 F142 V146 L149 V159 T161 | L113-W144 HydrophobicContact CB-CH2 4.21Å; L113-W144 HydrophobicContact CB-CZ2 4.45Å; L113-W144 HydrophobicContact CD1-CD2 3.86Å; L113-W144 HydrophobicContact CD1-CE3 3.85Å; L113-W144 HydrophobicContact CD1-CG 4.47Å; L113-W144 HydrophobicContact CD1-CH2 4.02Å; L113-W144 HydrophobicContact CD1-CZ2 4.06Å; L113-W144 HydrophobicContact CD1-CZ3 3.94Å; L113-W144 HydrophobicContact CD2-CZ3 4.4Å; T115-W144 HydrophobicContact CG2-CH2 3.74Å; T115-W144 HydrophobicContact CG2-CZ2 4.49Å; T115-W144 WeakPolarHBondContact OG1-CH2 3.46Å; T115-W144 WeakPolarHBondContact OG1-CZ2 3.36Å; L131-W144 WeakPolarHBondContact CD1-O 3.35Å; V132-W144 PolarHBondContact N-O 2.92Å; V132-W144 PolarHBondContact O-N 3.11Å; S134-W144 PolarHBondContact OG-NE1 3.26Å; F142-W144 HydrophobicContact CB-CD2 4.49Å; F142-W144 HydrophobicContact CB-CH2 4.31Å; F142-W144 HydrophobicContact CB-CZ2 3.43Å; F142-W144 VanDerWaalsContact CB-CZ2 3.43Å; F142-W144 HydrophobicContact CD2-CZ2 4.42Å; F142-W144 AromaticContact CG-CZ2 3.95Å; F142-W144 HydrophobicContact CG-CZ2 3.95Å; W144-V146 PolarHBondContact O-N 2.76Å; W144-L149 HydrophobicContact CB-CD1 3.75Å; W144-L149 HydrophobicContact CB-CG 4.39Å; W144-L149 HydrophobicContact CE3-CD2 4.3Å; W144-L149 HydrophobicContact CG-CD1 4.37Å; W144-V159 HydrophobicContact CE3-CG2 4.12Å; W144-V159 HydrophobicContact CZ3-CG1 4.13Å; W144-V159 HydrophobicContact CZ3-CG2 3.99Å; W144-T161 HydrophobicContact CH2-CG2 3.86Å; W144-T161 HydrophobicContact CZ3-CG2 3.87Å |
| 145 | D | 95.9 | Very high | 93.9 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 118.5 | 165.5 | 167.7 | 33.5 | 0 | 0 | 0 | 109.2 | N147 T148 L149 | D145-N147 PolarHBondContact O-N 2.56Å; D145-N147 PolarHBondContact OD1-N 3.44Å; D145-N147 VanDerWaalsContact OD1-N 3.1Å; D145-N147 PolarHBondContact OD1-ND2 2.91Å; D145-T148 PolarHBondContact O-N 3.06Å; D145-T148 WeakPolarHBondContact OD2-CB 3.48Å; D145-T148 PolarHBondContact OD2-N 2.87Å; D145-T148 VanDerWaalsContact OD2-N 3.13Å; D145-T148 PolarHBondContact OD2-OG1 3.03Å; D145-L149 WeakPolarHBondContact O-CG 3.13Å; D145-L149 PolarHBondContact O-N 3.14Å; D145-L149 VanDerWaalsContact O-N 3.08Å |
| 146 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -34.6 | -177 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | C85 T89 E130 V132 W144 L149 T150 | C85-V146 WeakPolarHBondContact SG-CG1 3.4Å; T89-V146 HydrophobicContact CG2-CG1 3.98Å; E130-V146 HydrophobicContact CB-CB 4.35Å; E130-V146 WeakPolarHBondContact O-CB 3.35Å; E130-V146 VanDerWaalsContact O-CG2 3.24Å; E130-V146 WeakPolarHBondContact O-CG2 3.24Å; E130-V146 PolarHBondContact O-N 2.91Å; V132-V146 HydrophobicContact CB-CG2 4.2Å; V132-V146 HydrophobicContact CG2-CG2 3.53Å; W144-V146 PolarHBondContact O-N 2.76Å; V146-L149 WeakPolarHBondContact O-CB 3.37Å; V146-L149 PolarHBondContact O-N 3.26Å; V146-T150 HydrophobicContact CG1-CG2 4.1Å; V146-T150 WeakPolarHBondContact O-CG2 3.49Å; V146-T150 PolarHBondContact O-N 3.06Å; V146-T150 PolarHBondContact O-OG1 3.08Å |
| 147 | N | 93.9 | Very high | 92.4 | Very high | 85 Ų | 85 | 52 Ų | 52 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | -179.6 | -60.1 | -64 | 0 | 0 | 0 | 110.8 | D145 L149 T150 A151 | D145-N147 PolarHBondContact O-N 2.56Å; D145-N147 PolarHBondContact OD1-N 3.44Å; D145-N147 VanDerWaalsContact OD1-N 3.1Å; D145-N147 PolarHBondContact OD1-ND2 2.91Å; N147-L149 VanDerWaalsContact C-N 3.32Å; N147-L149 PolarHBondContact O-N 3.44Å; N147-T150 PolarHBondContact O-N 2.68Å; N147-T150 PolarHBondContact O-OG1 2.99Å; N147-A151 WeakPolarHBondContact O-CB 3.44Å; N147-A151 PolarHBondContact O-N 3.44Å; N147-A151 VanDerWaalsContact O-N 3.11Å |
| 148 | T | 93.3 | Very high | 91.5 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 172.3 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | D145 T150 A151 | D145-T148 PolarHBondContact O-N 3.06Å; D145-T148 WeakPolarHBondContact OD2-CB 3.48Å; D145-T148 PolarHBondContact OD2-N 2.87Å; D145-T148 VanDerWaalsContact OD2-N 3.13Å; D145-T148 PolarHBondContact OD2-OG1 3.03Å; T148-T150 PolarHBondContact O-N 2.76Å; T148-A151 PolarHBondContact O-N 2.91Å |
| 149 | L | 93.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178.4 | -69.9 | -176.4 | 0 | 0 | 0 | 113.1 | I91 V101 L113 W144 D145 V146 N147 A151 L152 V159 | I91-L149 HydrophobicContact CD1-CD1 4.27Å; V101-L149 HydrophobicContact CG2-CB 4.2Å; V101-L149 HydrophobicContact CG2-CD1 3.93Å; V101-L149 HydrophobicContact CG2-CG 4.5Å; L113-L149 HydrophobicContact CD1-CD1 3.99Å; L113-L149 HydrophobicContact CD1-CD2 3.87Å; L113-L149 HydrophobicContact CD2-CD2 3.86Å; L113-L149 HydrophobicContact CG-CD2 4.46Å; W144-L149 HydrophobicContact CB-CD1 3.75Å; W144-L149 HydrophobicContact CB-CG 4.39Å; W144-L149 HydrophobicContact CE3-CD2 4.3Å; W144-L149 HydrophobicContact CG-CD1 4.37Å; D145-L149 WeakPolarHBondContact O-CG 3.13Å; D145-L149 PolarHBondContact O-N 3.14Å; D145-L149 VanDerWaalsContact O-N 3.08Å; V146-L149 WeakPolarHBondContact O-CB 3.37Å; V146-L149 PolarHBondContact O-N 3.26Å; N147-L149 VanDerWaalsContact C-N 3.32Å; N147-L149 PolarHBondContact O-N 3.44Å; L149-A151 VanDerWaalsContact C-N 3.25Å; L149-A151 PolarHBondContact O-N 3.35Å; L149-L152 HydrophobicContact CD2-CD1 4.13Å; L149-L152 WeakPolarHBondContact O-CB 3.45Å; L149-L152 WeakPolarHBondContact O-CG 3.45Å; L149-L152 PolarHBondContact O-N 3.09Å; L149-V159 HydrophobicContact CD2-CG2 3.91Å |
| 150 | T | 91.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 29% | 0.288 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73.6 | -17.5 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | T89 V146 N147 T148 L152 | T89-T150 HydrophobicContact CG2-CG2 3.84Å; V146-T150 HydrophobicContact CG1-CG2 4.1Å; V146-T150 WeakPolarHBondContact O-CG2 3.49Å; V146-T150 PolarHBondContact O-N 3.06Å; V146-T150 PolarHBondContact O-OG1 3.08Å; N147-T150 PolarHBondContact O-N 2.68Å; N147-T150 PolarHBondContact O-OG1 2.99Å; T148-T150 PolarHBondContact O-N 2.76Å; T150-L152 VanDerWaalsContact C-N 3.35Å |
| 151 | A | 91.7 | Very high | 89.6 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N147 T148 L149 | N147-A151 WeakPolarHBondContact O-CB 3.44Å; N147-A151 PolarHBondContact O-N 3.44Å; N147-A151 VanDerWaalsContact O-N 3.11Å; T148-A151 PolarHBondContact O-N 2.91Å; L149-A151 VanDerWaalsContact C-N 3.25Å; L149-A151 PolarHBondContact O-N 3.35Å |
| 152 | L | 89.2 | Confident | 89.2 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | trans | -66.3 | 134 | 176.2 | -67 | 173.4 | 0 | 0 | 0 | 110.7 | L149 T150 N156 | L149-L152 HydrophobicContact CD2-CD1 4.13Å; L149-L152 WeakPolarHBondContact O-CB 3.45Å; L149-L152 WeakPolarHBondContact O-CG 3.45Å; L149-L152 PolarHBondContact O-N 3.09Å; T150-L152 VanDerWaalsContact C-N 3.35Å; L152-N156 WeakPolarHBondContact CA-O 3.14Å; L152-N156 VanDerWaalsContact CD2-O 3.26Å; L152-N156 WeakPolarHBondContact CD2-O 3.35Å | ||
| 153 | T | 86.7 | Confident | 88.9 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 47% | 0.466 | 39% | 0.392 | S | S | . | . | trans | -136.8 | 176.5 | 177.7 | 67.7 | 0 | 0 | 0 | 0 | 109.8 | S155 N156 N157 | T153-S155 PolarHBondContact O-N 2.83Å; T153-S155 PolarHBondContact OG1-N 3.3Å; T153-S155 PolarHBondContact OG1-OG 2.99Å; T153-S155 VanDerWaalsContact OG1-OG 3.11Å; T153-N156 PolarHBondContact N-O 3.18Å; T153-N156 CarbonylContact O-C 3.54Å; T153-N156 PolarHBondContact O-N 2.93Å; T153-N156 PolarHBondContact OG1-N 3.42Å; T153-N156 VanDerWaalsContact OG1-N 3.08Å; T153-N157 PolarHBondContact O-N 2.86Å | ||
| 154 | A | 80.7 | Confident | 88.7 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 84% | 0.843 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -58.7 | -32.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 155 | S | 79.8 | Confident | 88.4 | Confident | 116 Ų | 116 | 65.4 Ų | 65.4 | 81% | 0.811 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -88.6 | -23.2 | 178 | 54.3 | 0 | 0 | 0 | 0 | 114 | T153 | T153-S155 PolarHBondContact O-N 2.83Å; T153-S155 PolarHBondContact OG1-N 3.3Å; T153-S155 PolarHBondContact OG1-OG 2.99Å; T153-S155 VanDerWaalsContact OG1-OG 3.11Å |
| 156 | N | 83.3 | Confident | 88.2 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | trans | -121.1 | 77.4 | 175.5 | -175.7 | 31.1 | 0 | 0 | 0 | 110 | L152 T153 | L152-N156 WeakPolarHBondContact CA-O 3.14Å; L152-N156 VanDerWaalsContact CD2-O 3.26Å; L152-N156 WeakPolarHBondContact CD2-O 3.35Å; T153-N156 PolarHBondContact N-O 3.18Å; T153-N156 CarbonylContact O-C 3.54Å; T153-N156 PolarHBondContact O-N 2.93Å; T153-N156 PolarHBondContact OG1-N 3.42Å; T153-N156 VanDerWaalsContact OG1-N 3.08Å | ||
| 157 | N | 81.6 | Confident | 88.3 | Confident | 120 Ų | 120 | 64.5 Ų | 64.5 | 64% | 0.642 | 42% | 0.416 | S | S | * | . | trans | -106.8 | 6.6 | -172.9 | 67.1 | -6.2 | 0 | 0 | 0 | 113.7 | T153 | T153-N157 PolarHBondContact O-N 2.86Š| ||
| 158 | T | 79.4 | Confident | 88.4 | Confident | 104 Ų | 104 | 67.6 Ų | 67.6 | 64% | 0.638 | 43% | 0.426 | S | S | * | . | trans | -95 | 129.1 | 179.4 | 57 | 0 | 0 | 0 | 0 | 111 | ||||
| 159 | V | 85.3 | Confident | 88.6 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | trans | -116.9 | 130.7 | 172.9 | 65.7 | 0 | 0 | 0 | 0 | 109.8 | L113 W144 L149 | L113-V159 HydrophobicContact CD2-CG1 4.28Å; W144-V159 HydrophobicContact CE3-CG2 4.12Å; W144-V159 HydrophobicContact CZ3-CG1 4.13Å; W144-V159 HydrophobicContact CZ3-CG2 3.99Å; L149-V159 HydrophobicContact CD2-CG2 3.91Å | ||
| 160 | T | 83 | Confident | 88.8 | Confident | 129 Ų | 129 | 68.2 Ų | 68.2 | 79% | 0.791 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 132.5 | 171.6 | 43.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 161 | T | 84.1 | Confident | 89.2 | Confident | 79 Ų | 79 | 66 Ų | 66 | 49% | 0.485 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 124.1 | -178.9 | 46 | 0 | 0 | 0 | 0 | 109.7 | T115 W144 | T115-T161 HydrophobicContact CG2-CG2 3.7Å; W144-T161 HydrophobicContact CH2-CG2 3.86Å; W144-T161 HydrophobicContact CZ3-CG2 3.87Å |
| 162 | S | 91.1 | Very high | 89.5 | Confident | 46 Ų | 46 | 67 Ų | 67 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.2 | 164.6 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | F142 L143 C200 | F142-S162 WeakPolarHBondContact CA-O 3.48Å; L143-S162 PolarHBondContact N-O 2.83Å; S162-C200 PolarHBondContact OG-SG 2.92Å; S162-C200 VanDerWaalsContact OG-SG 3.32Å |
| 163 | S | 93 | Very high | 90 | Very high | 63 Ų | 63 | 66 Ų | 66 | 44% | 0.441 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.9 | -176.3 | 71.6 | 0 | 0 | 0 | 0 | 112.5 | I141 | I141-S163 CarbonylContact O-C 3.55Å; I141-S163 WeakPolarHBondContact O-CA 3.37Å |
| 164 | L | 93.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.7 | 174.3 | -49.3 | 174.7 | 0 | 0 | 0 | 109.4 | I141 L143 I183 W195 C200 | I141-L164 HydrophobicContact CB-CB 4.09Å; I141-L164 HydrophobicContact CB-CD1 4.43Å; I141-L164 HydrophobicContact CB-CG 4.47Å; I141-L164 HydrophobicContact CD1-CB 4.44Å; I141-L164 HydrophobicContact CG2-CD1 4.06Å; I141-L164 HydrophobicContact CG2-CG 4.45Å; I141-L164 PolarHBondContact O-N 2.61Å; L143-L164 HydrophobicContact CD1-CD1 4.49Å; L143-L164 HydrophobicContact CD1-CD2 4.14Å; L143-L164 HydrophobicContact CD1-CG 4.35Å; L143-L164 HydrophobicContact CD2-CD1 4.29Å; L143-L164 HydrophobicContact CG-CG 4.44Å; L164-I183 HydrophobicContact CD1-CD1 4.02Å; L164-I183 HydrophobicContact CD1-CG2 3.54Å; L164-W195 HydrophobicContact CB-CD2 4.45Å; L164-W195 HydrophobicContact CB-CG 4.44Å; L164-W195 HydrophobicContact CD1-CB 4.11Å; L164-W195 HydrophobicContact CD1-CD2 4.33Å; L164-W195 HydrophobicContact CD1-CG 4.16Å; L164-W195 HydrophobicContact CD2-CB 4.45Å; L164-W195 HydrophobicContact CD2-CG 4.5Å; L164-C200 HydrophobicContact CD2-CB 3.61Å |
| 165 | S | 90.2 | Very high | 91.4 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | trans | -100.2 | 156.1 | 177.8 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | W195 K202 | S165-W195 PolarHBondContact O-NE1 3.39Å; S165-W195 VanDerWaalsContact O-NE1 3.11Å; S165-K202 WeakPolarHBondContact O-CE 3.43Å | ||
| 166 | G | 92.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | trans | 132.7 | -18.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K168 R193 | G166-K168 PolarHBondContact O-N 3.05Å; G166-R193 PolarHBondContact O-NE 2.78Å; G166-R193 PolarHBondContact O-NH1 3.1Å; G166-R193 VanDerWaalsContact O-NH1 3.16Å; G166-R193 PolarHBondContact O-NH2 2.81Å | ||
| 167 | N | 95.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 8% | 0.08 | 29% | 0.293 | C | S | . | . | trans | -61.6 | 131 | 172.2 | -64.5 | -74.5 | 0 | 0 | 0 | 109.8 | R139 I141 I171 S185 R193 W195 | R139-N167 HydrophobicContact CB-CB 4.41Å; I141-N167 WeakPolarHBondContact CD1-ND2 3.36Å; N167-I171 HydrophobicContact CB-CD1 4.06Å; N167-I171 HydrophobicContact CB-CG1 4.14Å; N167-I171 WeakPolarHBondContact ND2-CD1 3.34Å; N167-S185 PolarHBondContact OD1-OG 3.44Å; N167-R193 WeakPolarHBondContact OD1-CD 3.43Å; N167-W195 WeakPolarHBondContact ND2-CH2 3.36Å | ||
| 168 | K | 96.5 | Very high | 93.3 | Very high | 150 Ų | 150 | 46.8 Ų | 46.8 | 65% | 0.652 | 27% | 0.273 | S | S | * | . | trans | -93.2 | -15.9 | 178.9 | -65.9 | -175.2 | 176.7 | -171.1 | 0 | 113.1 | G166 E189 | G166-K168 PolarHBondContact O-N 3.05Å; K168-E189 HydrophobicContact CB-CG 4.43Å; K168-E189 PolarHBondContact N-OE2 3.25Å; K168-E189 VanDerWaalsContact N-OE2 3.12Å | ||
| 169 | D | 98 | Very high | 93.8 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -143.2 | 172 | -174.7 | -151.1 | -5.9 | 0 | 0 | 0 | 111.5 | T188 E189 | D169-T188 WeakPolarHBondContact CB-OG1 3.44Å; D169-T188 PolarHBondContact OD1-OG1 2.84Å; D169-T188 WeakPolarHBondContact OD2-CB 3.44Å; D169-T188 PolarHBondContact OD2-OG1 2.99Å; D169-E189 HydrophobicContact CB-CB 4.21Å |
| 170 | S | 98.5 | Very high | 94.2 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | trans | -60.5 | 133.2 | -173.1 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | L137 Y172 S187 T188 | L137-S170 PolarHBondContact O-OG 2.86Å; L137-S170 VanDerWaalsContact O-OG 3.05Å; S170-Y172 WeakPolarHBondContact O-CD2 3.44Å; S170-S187 WeakPolarHBondContact O-CA 3.42Å; S170-S187 WeakPolarHBondContact O-CB 3.5Å; S170-T188 PolarHBondContact O-N 3.44Å | ||
| 171 | I | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 132.8 | -174.5 | -54.6 | 165.6 | 0 | 0 | 0 | 109.4 | K121 A135 G136 I141 N167 S173 G186 | K121-I171 WeakPolarHBondContact CB-O 3.37Å; A135-I171 HydrophobicContact CB-CB 4.14Å; A135-I171 HydrophobicContact CB-CD1 3.97Å; A135-I171 HydrophobicContact CB-CG2 3.72Å; G136-I171 PolarHBondContact O-N 3.13Å; I141-I171 HydrophobicContact CD1-CD1 4.1Å; I141-I171 HydrophobicContact CG1-CD1 3.58Å; N167-I171 HydrophobicContact CB-CD1 4.06Å; N167-I171 HydrophobicContact CB-CG1 4.14Å; N167-I171 WeakPolarHBondContact ND2-CD1 3.34Å; I171-S173 WeakPolarHBondContact CG2-O 3.46Å; I171-G186 WeakPolarHBondContact CG2-O 3.25Å |
| 172 | Y | 98.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 36.3 Ų | 36.3 | 30% | 0.302 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -18.8 | -178.2 | -81.2 | -96.5 | 0 | 0 | 0 | 113.6 | L137 S170 G186 T188 N212 | L137-Y172 HydrophobicContact CD2-CE1 4.49Å; L137-Y172 HydrophobicContact CD2-CE2 3.95Å; S170-Y172 WeakPolarHBondContact O-CD2 3.44Å; Y172-G186 PolarHBondContact N-O 3.02Å; Y172-T188 HydrophobicContact CD2-CG2 4.02Å; Y172-T188 HydrophobicContact CE2-CG2 3.62Å; Y172-N212 VanDerWaalsContact CD2-ND2 3.27Å; Y172-N212 WeakPolarHBondContact CD2-ND2 3.46Å; Y172-N212 WeakPolarHBondContact CD2-OD1 3.26Å; Y172-N212 VanDerWaalsContact CG-ND2 3.28Å |
| 173 | S | 98.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150.5 | 176.9 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | I171 G186 V213 K214 L216 | I171-S173 WeakPolarHBondContact CG2-O 3.46Å; S173-G186 PolarHBondContact N-O 2.96Å; S173-G186 VanDerWaalsContact N-O 3.08Å; S173-G186 PolarHBondContact O-N 2.85Å; S173-G186 WeakPolarHBondContact OG-CA 3.46Å; S173-V213 PolarHBondContact OG-O 3.06Å; S173-K214 VanDerWaalsContact CB-C 3.48Å; S173-K214 WeakPolarHBondContact CB-O 3.44Å; S173-L216 WeakPolarHBondContact OG-CD1 3.03Å |
| 174 | L | 98.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 7% | 0.068 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 138.3 | -179.4 | -159.4 | 69.3 | 0 | 0 | 0 | 108.4 | A122 A124 A133 A135 I141 I183 V184 | A122-L174 HydrophobicContact CB-CB 3.84Å; A124-L174 HydrophobicContact CB-CB 4.05Å; A124-L174 HydrophobicContact CB-CD2 3.82Å; A124-L174 HydrophobicContact CB-CG 3.69Å; A133-L174 HydrophobicContact CB-CD2 3.58Å; A135-L174 HydrophobicContact CB-CD1 4.05Å; A135-L174 HydrophobicContact CB-CD2 3.84Å; A135-L174 HydrophobicContact CB-CG 4.38Å; I141-L174 HydrophobicContact CD1-CD1 3.93Å; I141-L174 HydrophobicContact CG1-CD1 4.33Å; I141-L174 HydrophobicContact CG2-CD1 4.27Å; I141-L174 HydrophobicContact CG2-CD2 4.21Å; L174-I183 HydrophobicContact CD1-CD1 3.97Å; L174-I183 HydrophobicContact CD1-CG1 4.16Å; L174-I183 HydrophobicContact CD2-CD1 4.21Å; L174-I183 HydrophobicContact CG-CD1 4.12Å; L174-I183 HydrophobicContact CG-CG1 4.36Å; L174-V184 WeakPolarHBondContact CA-O 3.48Å |
| 175 | A | 98.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 31 Ų | 31 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I183 V184 L216 L218 | A175-I183 CarbonylContact O-C 3.56Å; A175-I183 WeakPolarHBondContact O-CA 3.21Å; A175-I183 WeakPolarHBondContact O-CG1 3.14Å; A175-V184 PolarHBondContact N-O 2.68Å; A175-V184 PolarHBondContact O-N 2.98Å; A175-L216 HydrophobicContact CB-CB 3.58Å; A175-L218 HydrophobicContact CB-CD1 4.26Å; A175-L218 HydrophobicContact CB-CG 4.38Å |
| 176 | M | 96.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.7 | 174.5 | -161 | -179.3 | -62.4 | 0 | 0 | 107.9 | A124 A126 L131 A133 L143 V182 I183 P197 | A124-M176 HydrophobicContact CB-CB 3.98Å; A126-M176 HydrophobicContact CB-CG 3.97Å; A126-M176 HydrophobicContact CB-SD 3.37Å; A126-M176 WeakPolarHBondContact CB-SD 3.36Å; L131-M176 HydrophobicContact CD2-CE 4.08Å; L131-M176 HydrophobicContact CD2-SD 3.87Å; L131-M176 HydrophobicContact CG-CE 4.35Å; L131-M176 HydrophobicContact CG-SD 4.33Å; A133-M176 HydrophobicContact CB-CE 3.73Å; L143-M176 HydrophobicContact CD2-CE 4.05Å; M176-V182 WeakPolarHBondContact CA-O 3.17Å; M176-V182 VanDerWaalsContact CG-O 3.3Å; M176-V182 WeakPolarHBondContact CG-O 3.33Å; M176-I183 HydrophobicContact CE-CB 4.34Å; M176-I183 HydrophobicContact CE-CD1 3.85Å; M176-I183 HydrophobicContact CE-CG1 4.29Å; M176-I183 HydrophobicContact CG-CB 4.3Å; M176-P197 HydrophobicContact CE-CB 4.46Å; M176-P197 HydrophobicContact SD-CG 4.4Å |
| 177 | N | 94.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | trans | -74.3 | 159.2 | 175.1 | 71.9 | -30.2 | 0 | 0 | 0 | 110.2 | A126 M179 G180 T181 V182 L218 D221 | A126-N177 WeakPolarHBondContact CB-O 3.36Å; N177-M179 PolarHBondContact O-N 2.93Å; N177-M179 VanDerWaalsContact O-N 3.13Å; N177-G180 PolarHBondContact O-N 2.96Å; N177-G180 PolarHBondContact OD1-N 3.43Å; N177-T181 PolarHBondContact ND2-OG1 2.73Å; N177-T181 PolarHBondContact OD1-N 3.45Å; N177-V182 PolarHBondContact N-O 3.49Å; N177-V182 VanDerWaalsContact N-O 3.13Å; N177-V182 PolarHBondContact OD1-N 2.93Å; N177-V182 PolarHBondContact OD1-O 3.1Å; N177-L218 HydrophobicContact CB-CB 4.06Å; N177-L218 HydrophobicContact CB-CD1 4.22Å; N177-D221 PolarHBondContact ND2-OD2 3.26Å | ||
| 178 | Q | 92.3 | Very high | 96.9 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 22% | 0.224 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -35.5 | -174.5 | -168.6 | -179.4 | -25.7 | 0 | 0 | 113.5 | K127 D128 G180 R220 | K127-Q178 HydrophobicContact CB-CG 4Å; K127-Q178 PolarHBondContact N-O 3.46Å; D128-Q178 WeakPolarHBondContact CB-O 3.19Å; D128-Q178 PolarHBondContact N-O 2.99Å; D128-Q178 VanDerWaalsContact N-O 3.1Å; D128-Q178 WeakPolarHBondContact OD1-CG 3.36Å; D128-Q178 PolarHBondContact OD1-NE2 3.29Å; Q178-G180 VanDerWaalsContact C-N 3.3Å; Q178-G180 PolarHBondContact O-N 3.34Å; Q178-R220 HydrophobicContact CB-CG 4.36Å |
| 179 | M | 91.9 | Very high | 97 | Very high | 83 Ų | 83 | 22.1 Ų | 22.1 | 41% | 0.409 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -13.8 | -179.6 | -65.4 | -177.2 | 66.1 | 0 | 0 | 114.1 | N177 T181 D221 | N177-M179 PolarHBondContact O-N 2.93Å; N177-M179 VanDerWaalsContact O-N 3.13Å; M179-T181 HydrophobicContact CB-CG2 4.19Å; M179-D221 HydrophobicContact SD-CB 3.91Å |
| 180 | G | 92.8 | Very high | 97 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 68 | 39.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A126 N177 Q178 P197 | A126-G180 VanDerWaalsContact CB-CA 3.41Å; N177-G180 PolarHBondContact O-N 2.96Å; N177-G180 PolarHBondContact OD1-N 3.43Å; Q178-G180 VanDerWaalsContact C-N 3.3Å; Q178-G180 PolarHBondContact O-N 3.34Å; G180-P197 VanDerWaalsContact O-CG 3.23Å; G180-P197 WeakPolarHBondContact O-CG 3.45Å |
| 181 | T | 93.5 | Very high | 97 | Very high | 40 Ų | 40 | 23.7 Ų | 23.7 | 25% | 0.245 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -108.9 | -17.5 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | N177 M179 P197 | N177-T181 PolarHBondContact ND2-OG1 2.73Å; N177-T181 PolarHBondContact OD1-N 3.45Å; M179-T181 HydrophobicContact CB-CG2 4.19Å; T181-P197 WeakPolarHBondContact O-CD 3.45Å |
| 182 | V | 95.9 | Very high | 97 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | trans | -137.5 | 130.9 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | M176 N177 V184 V194 L218 T227 L243 | M176-V182 WeakPolarHBondContact CA-O 3.17Å; M176-V182 VanDerWaalsContact CG-O 3.3Å; M176-V182 WeakPolarHBondContact CG-O 3.33Å; N177-V182 PolarHBondContact N-O 3.49Å; N177-V182 VanDerWaalsContact N-O 3.13Å; N177-V182 PolarHBondContact OD1-N 2.93Å; N177-V182 PolarHBondContact OD1-O 3.1Å; V182-V184 HydrophobicContact CG1-CG2 4.12Å; V182-V194 HydrophobicContact CG1-CG1 3.58Å; V182-L218 HydrophobicContact CG1-CD1 4.28Å; V182-L218 HydrophobicContact CG1-CD2 4.49Å; V182-T227 HydrophobicContact CG2-CG2 4.36Å; V182-L243 HydrophobicContact CG1-CD2 3.95Å | ||
| 183 | I | 98 | Very high | 97 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.2 | 168.1 | -174.1 | 177.8 | 0 | 0 | 0 | 109.9 | A133 I141 L143 L164 L174 A175 M176 V194 W195 P197 | A133-I183 HydrophobicContact CB-CD1 3.5Å; A133-I183 VanDerWaalsContact CB-CD1 3.5Å; I141-I183 HydrophobicContact CG2-CD1 4.02Å; L143-I183 HydrophobicContact CD2-CD1 4.12Å; L164-I183 HydrophobicContact CD1-CD1 4.02Å; L164-I183 HydrophobicContact CD1-CG2 3.54Å; L174-I183 HydrophobicContact CD1-CD1 3.97Å; L174-I183 HydrophobicContact CD1-CG1 4.16Å; L174-I183 HydrophobicContact CD2-CD1 4.21Å; L174-I183 HydrophobicContact CG-CD1 4.12Å; L174-I183 HydrophobicContact CG-CG1 4.36Å; A175-I183 CarbonylContact O-C 3.56Å; A175-I183 WeakPolarHBondContact O-CA 3.21Å; A175-I183 WeakPolarHBondContact O-CG1 3.14Å; M176-I183 HydrophobicContact CE-CB 4.34Å; M176-I183 HydrophobicContact CE-CD1 3.85Å; M176-I183 HydrophobicContact CE-CG1 4.29Å; M176-I183 HydrophobicContact CG-CB 4.3Å; I183-V194 WeakPolarHBondContact O-CA 3.46Å; I183-W195 HydrophobicContact CG2-CB 3.78Å; I183-W195 HydrophobicContact CG2-CE3 4.4Å; I183-W195 PolarHBondContact N-O 3.01Å; I183-W195 PolarHBondContact O-N 2.78Å; I183-P197 HydrophobicContact CG2-CB 4.25Å |
| 184 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.1 | 179.4 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | L174 A175 V182 L192 R193 V194 L216 L218 | L174-V184 WeakPolarHBondContact CA-O 3.48Å; A175-V184 PolarHBondContact N-O 2.68Å; A175-V184 PolarHBondContact O-N 2.98Å; V182-V184 HydrophobicContact CG1-CG2 4.12Å; V184-L192 HydrophobicContact CG1-CB 3.94Å; V184-L192 HydrophobicContact CG1-CD2 4.04Å; V184-L192 HydrophobicContact CG1-CG 4.18Å; V184-R193 CarbonylContact C-O 3.53Å; V184-R193 VanDerWaalsContact CA-O 3.26Å; V184-R193 WeakPolarHBondContact CA-O 3.33Å; V184-V194 HydrophobicContact CG1-CG2 4.41Å; V184-V194 HydrophobicContact CG2-CG1 4.1Å; V184-V194 HydrophobicContact CG2-CG2 4.05Å; V184-L216 HydrophobicContact CB-CD1 4.31Å; V184-L216 HydrophobicContact CG1-CD1 3.92Å; V184-L216 HydrophobicContact CG1-CD2 4.2Å; V184-L218 HydrophobicContact CG2-CD1 4.05Å; V184-L218 HydrophobicContact CG2-CD2 3.98Å; V184-L218 HydrophobicContact CG2-CG 4.39Å |
| 185 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 145 | 170.4 | 70.6 | 0 | 0 | 0 | 0 | 112 | N167 L192 R193 W195 | N167-S185 PolarHBondContact OD1-OG 3.44Å; S185-L192 WeakPolarHBondContact O-CA 3.44Å; S185-R193 PolarHBondContact N-O 2.97Å; S185-R193 PolarHBondContact O-N 2.78Å; S185-W195 VanDerWaalsContact OG-CH2 3.28Å; S185-W195 WeakPolarHBondContact OG-CH2 3.41Å; S185-W195 VanDerWaalsContact OG-CZ3 3.24Å; S185-W195 WeakPolarHBondContact OG-CZ3 3.4Å |
| 186 | G | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I171 Y172 S173 V213 L216 | I171-G186 WeakPolarHBondContact CG2-O 3.25Å; Y172-G186 PolarHBondContact N-O 3.02Å; S173-G186 PolarHBondContact N-O 2.96Å; S173-G186 VanDerWaalsContact N-O 3.08Å; S173-G186 PolarHBondContact O-N 2.85Å; S173-G186 WeakPolarHBondContact OG-CA 3.46Å; G186-V213 CarbonylContact C-O 3.59Å; G186-L216 VanDerWaalsContact N-CD1 3.34Å |
| 187 | S | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 176.3 | -169.1 | 65.7 | 0 | 0 | 0 | 0 | 112 | S170 E189 K190 N212 V213 | S170-S187 WeakPolarHBondContact O-CA 3.42Å; S170-S187 WeakPolarHBondContact O-CB 3.5Å; S187-E189 PolarHBondContact O-N 2.78Å; S187-E189 WeakPolarHBondContact OG-CB 3.19Å; S187-E189 PolarHBondContact OG-N 2.87Å; S187-E189 VanDerWaalsContact OG-N 3.15Å; S187-K190 PolarHBondContact O-N 2.91Å; S187-K190 VanDerWaalsContact O-N 3.12Å; S187-N212 PolarHBondContact O-OD1 2.95Å; S187-V213 PolarHBondContact O-N 2.8Å |
| 188 | T | 98.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 29.7 Ų | 29.7 | 25% | 0.245 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -7 | 168.1 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | D169 S170 Y172 K190 N212 | D169-T188 WeakPolarHBondContact CB-OG1 3.44Å; D169-T188 PolarHBondContact OD1-OG1 2.84Å; D169-T188 WeakPolarHBondContact OD2-CB 3.44Å; D169-T188 PolarHBondContact OD2-OG1 2.99Å; S170-T188 PolarHBondContact O-N 3.44Å; Y172-T188 HydrophobicContact CD2-CG2 4.02Å; Y172-T188 HydrophobicContact CE2-CG2 3.62Å; T188-K190 WeakPolarHBondContact O-CG 3.41Å; T188-K190 PolarHBondContact O-N 3.47Å; T188-N212 HydrophobicContact CG2-CB 3.97Å; T188-N212 PolarHBondContact N-OD1 2.84Å |
| 189 | E | 97.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.6 | 168.2 | -162.8 | -178.8 | 168.2 | 0 | 0 | 111.6 | K168 D169 S187 V191 R193 | K168-E189 HydrophobicContact CB-CG 4.43Å; K168-E189 PolarHBondContact N-OE2 3.25Å; K168-E189 VanDerWaalsContact N-OE2 3.12Å; D169-E189 HydrophobicContact CB-CB 4.21Å; S187-E189 PolarHBondContact O-N 2.78Å; S187-E189 WeakPolarHBondContact OG-CB 3.19Å; S187-E189 PolarHBondContact OG-N 2.87Å; S187-E189 VanDerWaalsContact OG-N 3.15Å; E189-V191 HydrophobicContact CG-CB 4.49Å; E189-V191 PolarHBondContact O-N 3.24Å; E189-R193 IonicContact OE1-CZ 2.89Å; E189-R193 IonicContact OE1-NE 2.72Å; E189-R193 PolarHBondContact OE1-NE 3.01Å; E189-R193 IonicContact OE1-NH2 3.67Å; E189-R193 PolarHBondContact OE1-NH2 3.08Å; E189-R193 IonicContact OE2-CZ 3.62Å; E189-R193 IonicContact OE2-NE 2.7Å; E189-R193 PolarHBondContact OE2-NE 2.83Å; E189-R193 IonicContact OE2-NH2 3Å; E189-R193 PolarHBondContact OE2-NH2 3.17Å |
| 190 | K | 98.2 | Very high | 97.1 | Very high | 91 Ų | 91 | 30 Ų | 30 | 40% | 0.396 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 66.6 | -0.7 | 179.2 | -44 | 169.5 | 175.9 | -157.8 | 0 | 114.1 | S187 T188 T210 | S187-K190 PolarHBondContact O-N 2.91Å; S187-K190 VanDerWaalsContact O-N 3.12Å; T188-K190 WeakPolarHBondContact O-CG 3.41Å; T188-K190 PolarHBondContact O-N 3.47Å; K190-T210 VanDerWaalsContact CD-O 3.25Å; K190-T210 WeakPolarHBondContact CD-O 3.42Å; K190-T210 VanDerWaalsContact CE-O 3.24Å; K190-T210 WeakPolarHBondContact CE-O 3.16Å; K190-T210 PolarHBondContact NZ-O 3.19Å |
| 191 | V | 98.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 11% | 0.109 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.5 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | E189 K205 K207 | E189-V191 HydrophobicContact CG-CB 4.49Å; E189-V191 PolarHBondContact O-N 3.24Å; V191-K205 HydrophobicContact CG1-CB 3.87Å; V191-K205 HydrophobicContact CG1-CG 4.48Å; V191-K207 HydrophobicContact CG1-CG 4.14Å; V191-K207 HydrophobicContact CG2-CG 3.9Å |
| 192 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133.1 | 171 | -72.9 | 62.2 | 0 | 0 | 0 | 108.4 | V184 S185 K205 L206 V213 L216 W241 | V184-L192 HydrophobicContact CG1-CB 3.94Å; V184-L192 HydrophobicContact CG1-CD2 4.04Å; V184-L192 HydrophobicContact CG1-CG 4.18Å; S185-L192 WeakPolarHBondContact O-CA 3.44Å; L192-K205 CarbonylContact O-C 3.52Å; L192-K205 WeakPolarHBondContact O-CA 3.37Å; L192-L206 HydrophobicContact CB-CB 4.13Å; L192-L206 HydrophobicContact CB-CD1 4.48Å; L192-L206 HydrophobicContact CD2-CD1 4.47Å; L192-L206 PolarHBondContact N-O 3.45Å; L192-L206 PolarHBondContact O-N 3.43Å; L192-V213 HydrophobicContact CD1-CG1 4.37Å; L192-V213 HydrophobicContact CD1-CG2 3.9Å; L192-L216 HydrophobicContact CD2-CD2 3.61Å; L192-L216 HydrophobicContact CG-CD2 4.04Å; L192-W241 HydrophobicContact CD1-CZ2 4.3Å |
| 193 | R | 98.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 141.8 | 176.5 | -68.2 | 173.4 | 168.7 | -84.5 | 6.3 | 109.3 | G166 N167 V184 S185 E189 W195 K205 | G166-R193 PolarHBondContact O-NE 2.78Å; G166-R193 PolarHBondContact O-NH1 3.1Å; G166-R193 VanDerWaalsContact O-NH1 3.16Å; G166-R193 PolarHBondContact O-NH2 2.81Å; N167-R193 WeakPolarHBondContact OD1-CD 3.43Å; V184-R193 CarbonylContact C-O 3.53Å; V184-R193 VanDerWaalsContact CA-O 3.26Å; V184-R193 WeakPolarHBondContact CA-O 3.33Å; S185-R193 PolarHBondContact N-O 2.97Å; S185-R193 PolarHBondContact O-N 2.78Å; E189-R193 IonicContact OE1-CZ 2.89Å; E189-R193 IonicContact OE1-NE 2.72Å; E189-R193 PolarHBondContact OE1-NE 3.01Å; E189-R193 IonicContact OE1-NH2 3.67Å; E189-R193 PolarHBondContact OE1-NH2 3.08Å; E189-R193 IonicContact OE2-CZ 3.62Å; E189-R193 IonicContact OE2-NE 2.7Å; E189-R193 PolarHBondContact OE2-NE 2.83Å; E189-R193 IonicContact OE2-NH2 3Å; E189-R193 PolarHBondContact OE2-NH2 3.17Å; R193-W195 HydrophobicContact CB-CE3 4.3Å; R193-W195 HydrophobicContact CB-CH2 3.11Å; R193-W195 HydrophobicContact CB-CZ2 3.78Å; R193-W195 HydrophobicContact CB-CZ3 3.42Å; R193-W195 VanDerWaalsContact CB-CZ3 3.42Å; R193-W195 HydrophobicContact CG-CH2 4.14Å; R193-W195 WeakPolarHBondContact O-CZ3 3.25Å; R193-K205 HydrophobicContact CG-CG 4.38Å |
| 194 | V | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.5 | -171.6 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | V182 I183 V184 L203 M204 L206 L243 | V182-V194 HydrophobicContact CG1-CG1 3.58Å; I183-V194 WeakPolarHBondContact O-CA 3.46Å; V184-V194 HydrophobicContact CG1-CG2 4.41Å; V184-V194 HydrophobicContact CG2-CG1 4.1Å; V184-V194 HydrophobicContact CG2-CG2 4.05Å; V194-L203 HydrophobicContact CB-CB 4.35Å; V194-L203 HydrophobicContact CG1-CB 4.24Å; V194-L203 HydrophobicContact CG1-CD1 4.11Å; V194-L203 PolarHBondContact O-N 3.35Å; V194-M204 HydrophobicContact CB-CG 3.71Å; V194-M204 HydrophobicContact CG1-CG 4.4Å; V194-M204 HydrophobicContact CG2-CG 3.51Å; V194-M204 HydrophobicContact CG2-SD 4.33Å; V194-M204 PolarHBondContact N-O 3.34Å; V194-M204 VanDerWaalsContact N-O 3.09Å; V194-L206 HydrophobicContact CG2-CD1 4.31Å; V194-L206 HydrophobicContact CG2-CG 4.46Å; V194-L243 HydrophobicContact CB-CD2 4.4Å; V194-L243 HydrophobicContact CG1-CD2 3.58Å; V194-L243 HydrophobicContact CG2-CD2 4.02Å |
| 195 | W | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 160.2 | 175.9 | -57.8 | -107 | 0 | 0 | 0 | 111.4 | I141 L164 S165 N167 I183 S185 R193 A201 | I141-W195 HydrophobicContact CD1-CE3 4.49Å; I141-W195 HydrophobicContact CD1-CH2 3.93Å; I141-W195 HydrophobicContact CD1-CZ3 3.88Å; L164-W195 HydrophobicContact CB-CD2 4.45Å; L164-W195 HydrophobicContact CB-CG 4.44Å; L164-W195 HydrophobicContact CD1-CB 4.11Å; L164-W195 HydrophobicContact CD1-CD2 4.33Å; L164-W195 HydrophobicContact CD1-CG 4.16Å; L164-W195 HydrophobicContact CD2-CB 4.45Å; L164-W195 HydrophobicContact CD2-CG 4.5Å; S165-W195 PolarHBondContact O-NE1 3.39Å; S165-W195 VanDerWaalsContact O-NE1 3.11Å; N167-W195 WeakPolarHBondContact ND2-CH2 3.36Å; I183-W195 HydrophobicContact CG2-CB 3.78Å; I183-W195 HydrophobicContact CG2-CE3 4.4Å; I183-W195 PolarHBondContact N-O 3.01Å; I183-W195 PolarHBondContact O-N 2.78Å; S185-W195 VanDerWaalsContact OG-CH2 3.28Å; S185-W195 WeakPolarHBondContact OG-CH2 3.41Å; S185-W195 VanDerWaalsContact OG-CZ3 3.24Å; S185-W195 WeakPolarHBondContact OG-CZ3 3.4Å; R193-W195 HydrophobicContact CB-CE3 4.3Å; R193-W195 HydrophobicContact CB-CH2 3.11Å; R193-W195 HydrophobicContact CB-CZ2 3.78Å; R193-W195 HydrophobicContact CB-CZ3 3.42Å; R193-W195 VanDerWaalsContact CB-CZ3 3.42Å; R193-W195 HydrophobicContact CG-CH2 4.14Å; R193-W195 WeakPolarHBondContact O-CZ3 3.25Å; W195-A201 CarbonylContact C-O 3.59Å; W195-A201 WeakPolarHBondContact CA-O 3.43Å; W195-A201 WeakPolarHBondContact CB-O 3.31Å |
| 196 | D | 96.3 | Very high | 97.3 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.4 | 158.7 | 170.8 | 4.7 | 0 | 0 | 0 | 108.2 | R198 T199 C200 A201 L203 | D196-R198 PolarHBondContact O-N 3.11Å; D196-R198 VanDerWaalsContact OD1-CB 3.29Å; D196-R198 WeakPolarHBondContact OD1-CB 3.25Å; D196-R198 PolarHBondContact OD1-N 3.13Å; D196-T199 WeakPolarHBondContact CB-OG1 3.4Å; D196-T199 VanDerWaalsContact CG-OG1 3.26Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.17Å; D196-T199 PolarHBondContact OD2-OG1 2.92Å; D196-C200 VanDerWaalsContact O-CA 3.22Å; D196-C200 WeakPolarHBondContact O-CA 3.46Å; D196-C200 PolarHBondContact O-N 3.02Å; D196-A201 PolarHBondContact N-O 2.84Å; D196-L203 HydrophobicContact CB-CD1 4.25Å; D196-L203 HydrophobicContact CB-CD2 4.21Å; D196-L203 HydrophobicContact CB-CG 4.39Å |
| 197 | P | 95.2 | Very high | 97.3 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.1 | -177.4 | 30.8 | -35.8 | 0 | 0 | 0 | 113.4 | L131 L143 M176 G180 T181 I183 | L131-P197 HydrophobicContact CD2-CB 4.18Å; L143-P197 HydrophobicContact CD1-CB 3.83Å; L143-P197 VanDerWaalsContact CD1-O 3.26Å; L143-P197 WeakPolarHBondContact CD1-O 3.39Å; L143-P197 HydrophobicContact CD2-CB 4.3Å; M176-P197 HydrophobicContact CE-CB 4.46Å; M176-P197 HydrophobicContact SD-CG 4.4Å; G180-P197 VanDerWaalsContact O-CG 3.23Å; G180-P197 WeakPolarHBondContact O-CG 3.45Å; T181-P197 WeakPolarHBondContact O-CD 3.45Å; I183-P197 HydrophobicContact CG2-CB 4.25Å |
| 198 | R | 94.2 | Very high | 97.3 | Very high | 185 Ų | 185 | 55.7 Ų | 55.7 | 70% | 0.698 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -39.6 | 179.7 | -62.7 | 159.1 | 54 | 136.9 | -1.1 | 112 | D196 | D196-R198 PolarHBondContact O-N 3.11Å; D196-R198 VanDerWaalsContact OD1-CB 3.29Å; D196-R198 WeakPolarHBondContact OD1-CB 3.25Å; D196-R198 PolarHBondContact OD1-N 3.13Å |
| 199 | T | 95.8 | Very high | 97.3 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -10 | -177.9 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | D196 A201 | D196-T199 WeakPolarHBondContact CB-OG1 3.4Å; D196-T199 VanDerWaalsContact CG-OG1 3.26Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.17Å; D196-T199 PolarHBondContact OD2-OG1 2.92Å; T199-A201 PolarHBondContact O-N 2.69Å; T199-A201 VanDerWaalsContact O-N 3.13Å; T199-A201 VanDerWaalsContact OG1-CB 3.3Å; T199-A201 WeakPolarHBondContact OG1-CB 3.47Å; T199-A201 PolarHBondContact OG1-N 2.78Å |
| 200 | C | 96.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 31% | 0.311 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 15.8 | -168.9 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | S162 L164 D196 | S162-C200 PolarHBondContact OG-SG 2.92Å; S162-C200 VanDerWaalsContact OG-SG 3.32Å; L164-C200 HydrophobicContact CD2-CB 3.61Å; D196-C200 VanDerWaalsContact O-CA 3.22Å; D196-C200 WeakPolarHBondContact O-CA 3.46Å; D196-C200 PolarHBondContact O-N 3.02Å |
| 201 | A | 96.6 | Very high | 97.3 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 138 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | W195 D196 T199 L203 | W195-A201 CarbonylContact C-O 3.59Å; W195-A201 WeakPolarHBondContact CA-O 3.43Å; W195-A201 WeakPolarHBondContact CB-O 3.31Å; D196-A201 PolarHBondContact N-O 2.84Å; T199-A201 PolarHBondContact O-N 2.69Å; T199-A201 VanDerWaalsContact O-N 3.13Å; T199-A201 VanDerWaalsContact OG1-CB 3.3Å; T199-A201 WeakPolarHBondContact OG1-CB 3.47Å; T199-A201 PolarHBondContact OG1-N 2.78Å; A201-L203 PolarHBondContact O-N 3.02Å |
| 202 | K | 97.6 | Very high | 97.4 | Very high | 129 Ų | 129 | 55.4 Ų | 55.4 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 122.1 | 171.7 | -69.8 | 164.4 | -176.6 | 165.2 | 0 | 108.6 | S165 | S165-K202 WeakPolarHBondContact O-CE 3.43Å |
| 203 | L | 95.6 | Very high | 97.4 | Very high | 80 Ų | 80 | 55.4 Ų | 55.4 | 42% | 0.419 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -56.6 | 179.6 | -59.7 | -178.7 | 0 | 0 | 0 | 111.4 | V194 D196 A201 | V194-L203 HydrophobicContact CB-CB 4.35Å; V194-L203 HydrophobicContact CG1-CB 4.24Å; V194-L203 HydrophobicContact CG1-CD1 4.11Å; V194-L203 PolarHBondContact O-N 3.35Å; D196-L203 HydrophobicContact CB-CD1 4.25Å; D196-L203 HydrophobicContact CB-CD2 4.21Å; D196-L203 HydrophobicContact CB-CG 4.39Å; A201-L203 PolarHBondContact O-N 3.02Å |
| 204 | M | 96.6 | Very high | 97.4 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 172 | -174.5 | 64.6 | -166 | 75.1 | 0 | 0 | 113.2 | V194 L206 L243 Q246 | V194-M204 HydrophobicContact CB-CG 3.71Å; V194-M204 HydrophobicContact CG1-CG 4.4Å; V194-M204 HydrophobicContact CG2-CG 3.51Å; V194-M204 HydrophobicContact CG2-SD 4.33Å; V194-M204 PolarHBondContact N-O 3.34Å; V194-M204 VanDerWaalsContact N-O 3.09Å; M204-L206 HydrophobicContact CG-CD2 4.2Å; M204-L206 HydrophobicContact CG-CG 4.38Å; M204-L206 HydrophobicContact SD-CD2 3.89Å; M204-L206 HydrophobicContact SD-CG 4.46Å; M204-L243 HydrophobicContact CE-CB 4.23Å; M204-L243 HydrophobicContact CE-CD2 4.25Å; M204-L243 WeakPolarHBondContact CE-O 3.35Å; M204-L243 HydrophobicContact SD-CB 4.17Å; M204-L243 HydrophobicContact SD-CD2 3.97Å; M204-L243 HydrophobicContact SD-CG 4.33Å; M204-Q246 HydrophobicContact CB-CG 4.47Å; M204-Q246 HydrophobicContact CE-CG 3.98Å; M204-Q246 HydrophobicContact SD-CB 4.13Å; M204-Q246 HydrophobicContact SD-CG 3.75Å |
| 205 | K | 97.8 | Very high | 97.4 | Very high | 128 Ų | 128 | 58.3 Ų | 58.3 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118.4 | 172.3 | -67.8 | 179.6 | -63.6 | -173.7 | 0 | 108.8 | V191 L192 R193 | V191-K205 HydrophobicContact CG1-CB 3.87Å; V191-K205 HydrophobicContact CG1-CG 4.48Å; L192-K205 CarbonylContact O-C 3.52Å; L192-K205 WeakPolarHBondContact O-CA 3.37Å; R193-K205 HydrophobicContact CG-CG 4.38Å |
| 206 | L | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 109.6 | -179.4 | -51.2 | 171.2 | 0 | 0 | 0 | 109.4 | L192 V194 M204 W241 Q246 | L192-L206 HydrophobicContact CB-CB 4.13Å; L192-L206 HydrophobicContact CB-CD1 4.48Å; L192-L206 HydrophobicContact CD2-CD1 4.47Å; L192-L206 PolarHBondContact N-O 3.45Å; L192-L206 PolarHBondContact O-N 3.43Å; V194-L206 HydrophobicContact CG2-CD1 4.31Å; V194-L206 HydrophobicContact CG2-CG 4.46Å; M204-L206 HydrophobicContact CG-CD2 4.2Å; M204-L206 HydrophobicContact CG-CG 4.38Å; M204-L206 HydrophobicContact SD-CD2 3.89Å; M204-L206 HydrophobicContact SD-CG 4.46Å; L206-W241 HydrophobicContact CB-CD2 4.22Å; L206-W241 HydrophobicContact CB-CE3 3.64Å; L206-W241 HydrophobicContact CB-CH2 4.25Å; L206-W241 HydrophobicContact CB-CZ3 3.66Å; L206-W241 HydrophobicContact CD1-CB 3.99Å; L206-W241 HydrophobicContact CD1-CD2 4.05Å; L206-W241 HydrophobicContact CD1-CE3 4.03Å; L206-W241 HydrophobicContact CD1-CG 4.03Å; L206-W241 HydrophobicContact CD2-CE3 4.34Å; L206-W241 HydrophobicContact CG-CE3 4.23Å; L206-Q246 HydrophobicContact CD2-CB 4.41Å |
| 207 | K | 98.2 | Very high | 97.5 | Very high | 158 Ų | 158 | 58.8 Ų | 58.8 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.5 | 177.5 | -62.8 | -174.3 | 176.5 | -179.3 | 0 | 110 | V191 W241 | V191-K207 HydrophobicContact CG1-CG 4.14Å; V191-K207 HydrophobicContact CG2-CG 3.9Å; K207-W241 WeakPolarHBondContact O-CZ3 3.43Å |
| 208 | G | 97.7 | Very high | 97.5 | Very high | 27 Ų | 27 | 59.5 Ų | 59.5 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | trans | 169 | -36.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | R239 | G208-R239 PolarHBondContact O-NH2 2.93Š| ||
| 209 | H | 98.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | trans | -64.6 | 151.8 | 173.1 | -79.9 | -61.9 | 0 | 0 | 0 | 111.9 | V213 S231 S233 D235 T237 R239 W241 | H209-V213 HydrophobicContact CB-CG2 4.09Å; H209-S231 PolarHBondContact CD2-OG 2.82Å; H209-S231 PolarHBondContact NE2-OG 3.12Å; H209-S233 WeakPolarHBondContact CE1-CB 3.5Å; H209-S233 WeakPolarHBondContact ND1-CB 3.05Å; H209-D235 WeakPolarHBondContact CA-OD2 3.48Å; H209-D235 IonicContact CE1-OD1 3.4Å; H209-D235 IonicContact CG-OD2 3.18Å; H209-D235 IonicContact ND1-OD1 3.89Å; H209-D235 PolarHBondContact ND1-OD1 2.88Å; H209-D235 IonicContact ND1-OD2 2.98Å; H209-D235 PolarHBondContact ND1-OD2 3.25Å; H209-T237 PolarHBondContact CE1-OG1 3.17Å; H209-T237 VanDerWaalsContact CE1-OG1 3.27Å; H209-T237 PolarHBondContact ND1-OG1 3.37Å; H209-R239 VanDerWaalsContact CE1-CD 3.48Å; H209-R239 WeakPolarHBondContact CE1-CD 3.42Å; H209-W241 AromaticContact CD2-CZ2 3.99Å | ||
| 210 | T | 98.6 | Very high | 96.7 | Very high | 92 Ų | 92 | 54.8 Ų | 54.8 | 56% | 0.564 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -109.7 | -4.1 | -177.8 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | K190 D235 | K190-T210 VanDerWaalsContact CD-O 3.25Å; K190-T210 WeakPolarHBondContact CD-O 3.42Å; K190-T210 VanDerWaalsContact CE-O 3.24Å; K190-T210 WeakPolarHBondContact CE-O 3.16Å; K190-T210 PolarHBondContact NZ-O 3.19Å; T210-D235 PolarHBondContact N-OD2 3.16Å; T210-D235 WeakPolarHBondContact OG1-CB 3.43Å; T210-D235 PolarHBondContact OG1-OD2 2.93Å |
| 211 | D | 98.7 | Very high | 95.4 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -148.6 | -179.6 | 177 | -155 | -5.8 | 0 | 0 | 0 | 111.8 | S233 S234 D235 | D211-S233 PolarHBondContact O-OG 3.21Å; D211-S234 WeakPolarHBondContact OD2-CB 3.38Å; D211-D235 HydrophobicContact CB-CB 3.88Å |
| 212 | N | 98.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | trans | -55.9 | 130.7 | -176 | -173.3 | 16.4 | 0 | 0 | 0 | 113.3 | Y172 S187 T188 S233 S234 | Y172-N212 VanDerWaalsContact CD2-ND2 3.27Å; Y172-N212 WeakPolarHBondContact CD2-ND2 3.46Å; Y172-N212 WeakPolarHBondContact CD2-OD1 3.26Å; Y172-N212 VanDerWaalsContact CG-ND2 3.28Å; S187-N212 PolarHBondContact O-OD1 2.95Å; T188-N212 HydrophobicContact CG2-CB 3.97Å; T188-N212 PolarHBondContact N-OD1 2.84Å; N212-S233 WeakPolarHBondContact O-CA 3.24Å; N212-S233 PolarHBondContact O-OG 2.86Å; N212-S233 VanDerWaalsContact O-OG 3.12Å; N212-S234 PolarHBondContact O-N 2.77Å; N212-S234 PolarHBondContact O-OG 3.46Å; N212-S234 VanDerWaalsContact O-OG 3.08Å | ||
| 213 | V | 98.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114 | -179 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | S173 G186 S187 L192 H209 L216 | S173-V213 PolarHBondContact OG-O 3.06Å; G186-V213 CarbonylContact C-O 3.59Å; S187-V213 PolarHBondContact O-N 2.8Å; L192-V213 HydrophobicContact CD1-CG1 4.37Å; L192-V213 HydrophobicContact CD1-CG2 3.9Å; H209-V213 HydrophobicContact CB-CG2 4.09Å; V213-L216 HydrophobicContact CG1-CD2 4.02Å; V213-L216 HydrophobicContact CG1-CG 4.21Å |
| 214 | K | 98.6 | Very high | 87.8 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 30% | 0.3 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -11.3 | -172.8 | -69.8 | -166.8 | -174.5 | 175.1 | 0 | 114.7 | S173 G232 W260 | S173-K214 VanDerWaalsContact CB-C 3.48Å; S173-K214 WeakPolarHBondContact CB-O 3.44Å; K214-G232 PolarHBondContact N-O 3.24Å; K214-W260 HydrophobicContact CD-CB 4.47Å; K214-W260 HydrophobicContact CD-CG 3.97Å |
| 215 | S | 98.6 | Very high | 85.7 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.5 | 175.7 | -162.7 | 0 | 0 | 0 | 0 | 111.4 | S231 G232 L262 | S215-S231 CarbonylContact O-C 3.56Å; S215-S231 VanDerWaalsContact O-CA 3.31Å; S215-S231 WeakPolarHBondContact O-CA 3.32Å; S215-G232 PolarHBondContact N-O 2.97Å; S215-G232 PolarHBondContact O-N 3.26Å; S215-L262 WeakPolarHBondContact OG-CB 3.49Å; S215-L262 PolarHBondContact OG-N 2.69Å |
| 216 | L | 98.8 | Very high | 84.4 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.4 | 178.3 | -72.6 | 172.1 | 0 | 0 | 0 | 109.3 | S173 A175 V184 G186 L192 V213 L230 | S173-L216 WeakPolarHBondContact OG-CD1 3.03Å; A175-L216 HydrophobicContact CB-CB 3.58Å; V184-L216 HydrophobicContact CB-CD1 4.31Å; V184-L216 HydrophobicContact CG1-CD1 3.92Å; V184-L216 HydrophobicContact CG1-CD2 4.2Å; G186-L216 VanDerWaalsContact N-CD1 3.34Å; L192-L216 HydrophobicContact CD2-CD2 3.61Å; L192-L216 HydrophobicContact CG-CD2 4.04Å; V213-L216 HydrophobicContact CG1-CD2 4.02Å; V213-L216 HydrophobicContact CG1-CG 4.21Å; L216-L230 CarbonylContact C-O 3.58Å; L216-L230 WeakPolarHBondContact CA-O 3.15Å |
| 217 | L | 98.2 | Very high | 83.7 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147 | 170.9 | -60 | 171.3 | 0 | 0 | 0 | 109.1 | C229 L230 L262 V264 | L217-C229 CarbonylContact O-C 3.47Å; L217-C229 VanDerWaalsContact O-CA 3.31Å; L217-C229 WeakPolarHBondContact O-CA 2.96Å; L217-C229 PolarHBondContact O-SG 3.35Å; L217-C229 VanDerWaalsContact O-SG 3.37Å; L217-L230 HydrophobicContact CB-CB 4.31Å; L217-L230 PolarHBondContact N-O 2.81Å; L217-L230 PolarHBondContact O-N 3.22Å; L217-L262 HydrophobicContact CD1-CB 3.65Å; L217-L262 HydrophobicContact CG-CB 4.17Å; L217-V264 HydrophobicContact CD1-CB 3.97Å; L217-V264 HydrophobicContact CD1-CG1 4.02Å |
| 218 | L | 95.8 | Very high | 83.5 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.8 | 173.8 | -74.5 | 164.8 | 0 | 0 | 0 | 108.8 | A175 N177 V182 V184 T227 C229 L243 | A175-L218 HydrophobicContact CB-CD1 4.26Å; A175-L218 HydrophobicContact CB-CG 4.38Å; N177-L218 HydrophobicContact CB-CB 4.06Å; N177-L218 HydrophobicContact CB-CD1 4.22Å; V182-L218 HydrophobicContact CG1-CD1 4.28Å; V182-L218 HydrophobicContact CG1-CD2 4.49Å; V184-L218 HydrophobicContact CG2-CD1 4.05Å; V184-L218 HydrophobicContact CG2-CD2 3.98Å; V184-L218 HydrophobicContact CG2-CG 4.39Å; L218-T227 HydrophobicContact CD2-CG2 4.42Å; L218-C229 HydrophobicContact CD2-CB 3.73Å; L218-L243 HydrophobicContact CD2-CD1 3.95Å |
| 219 | N | 91.3 | Very high | 83.5 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | trans | -72.1 | 160.8 | 172.6 | 67.6 | -16 | 0 | 0 | 0 | 111.3 | S226 T227 Q228 F268 | N219-S226 PolarHBondContact ND2-O 2.79Å; N219-T227 WeakPolarHBondContact OD1-CA 3.48Å; N219-Q228 PolarHBondContact N-O 2.8Å; N219-Q228 VanDerWaalsContact N-O 3.14Å; N219-Q228 PolarHBondContact ND2-N 2.81Å; N219-Q228 PolarHBondContact OD1-N 3.49Å; N219-Q228 PolarHBondContact OD1-O 3.17Å; N219-F268 HydrophobicContact CB-CB 4.19Å; N219-F268 HydrophobicContact CB-CD1 3.92Å; N219-F268 HydrophobicContact CB-CD2 3.55Å; N219-F268 HydrophobicContact CB-CE1 4.12Å; N219-F268 HydrophobicContact CB-CE2 3.77Å; N219-F268 HydrophobicContact CB-CG 3.63Å; N219-F268 HydrophobicContact CB-CZ 4.04Å | ||
| 220 | R | 82.1 | Confident | 83.5 | Confident | 155 Ų | 155 | 53.8 Ų | 53.8 | 59% | 0.585 | 31% | 0.313 | S | S | * | . | trans | -74.6 | 123.1 | 164.3 | -168.9 | 178.7 | -176.3 | -179.3 | -1.3 | 107.1 | Q178 G222 | Q178-R220 HydrophobicContact CB-CG 4.36Å; R220-G222 PolarHBondContact O-N 3.08Å | ||
| 221 | D | 68.4 | Low | 83.5 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -63.8 | 103.7 | 176.6 | -71 | -48.9 | 0 | 0 | 0 | 109.2 | N177 M179 T227 | N177-D221 PolarHBondContact ND2-OD2 3.26Å; M179-D221 HydrophobicContact SD-CB 3.91Å; D221-T227 WeakPolarHBondContact OD1-CA 3.39Å; D221-T227 VanDerWaalsContact OD1-CB 3.24Å; D221-T227 WeakPolarHBondContact OD1-CB 3.15Å; D221-T227 WeakPolarHBondContact OD1-CG2 3.45Å; D221-T227 PolarHBondContact OD1-OG1 2.82Å |
| 222 | G | 45.4 | Very low | 83.5 | Confident | 57 Ų | 57 | 46 Ų | 46 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | trans | 173 | 81.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R220 | R220-G222 PolarHBondContact O-N 3.08Š| ||
| 223 | T | 39.6 | Very low | 83.5 | Confident | 148 Ų | 148 | 45.5 Ų | 45.5 | 91% | 0.908 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 166.1 | -14.4 | 136 | 32.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 224 | Q | 45.6 | Very low | 83.5 | Confident | 181 Ų | 181 | 46.8 Ų | 46.8 | 85% | 0.846 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -133.3 | 19.4 | -177.6 | -73 | -101.3 | -10.5 | 0 | 0 | 114.1 | S226 | Q224-S226 PolarHBondContact O-N 3.17Š|
| 225 | G | 51.8 | Low | 83.5 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 91% | 0.907 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 63.5 | 6.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 226 | S | 70.6 | Confident | 83.5 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | trans | -120.9 | 110.7 | 178.9 | -158.8 | 0 | 0 | 0 | 0 | 111 | N219 Q224 Q228 S242 | N219-S226 PolarHBondContact ND2-O 2.79Å; Q224-S226 PolarHBondContact O-N 3.17Å; S226-Q228 PolarHBondContact O-N 2.83Å; S226-S242 PolarHBondContact OG-OG 3.41Å | ||
| 227 | T | 84.6 | Confident | 83.5 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | trans | -62.5 | 128.4 | 165.5 | -41.6 | 0 | 0 | 0 | 0 | 108.1 | V182 L218 N219 D221 L243 | V182-T227 HydrophobicContact CG2-CG2 4.36Å; L218-T227 HydrophobicContact CD2-CG2 4.42Å; N219-T227 WeakPolarHBondContact OD1-CA 3.48Å; D221-T227 WeakPolarHBondContact OD1-CA 3.39Å; D221-T227 VanDerWaalsContact OD1-CB 3.24Å; D221-T227 WeakPolarHBondContact OD1-CB 3.15Å; D221-T227 WeakPolarHBondContact OD1-CG2 3.45Å; D221-T227 PolarHBondContact OD1-OG1 2.82Å; T227-L243 HydrophobicContact CG2-CD1 3.68Å; T227-L243 WeakPolarHBondContact O-CB 2.97Å; T227-L243 VanDerWaalsContact O-CD1 3.28Å; T227-L243 WeakPolarHBondContact O-CD1 3.34Å; T227-L243 PolarHBondContact O-N 2.91Å | ||
| 228 | Q | 93.7 | Very high | 83.5 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 148.8 | 179.7 | -68.5 | -178.5 | -29.5 | 0 | 0 | 110.3 | N219 S226 L240 W241 F268 | N219-Q228 PolarHBondContact N-O 2.8Å; N219-Q228 VanDerWaalsContact N-O 3.14Å; N219-Q228 PolarHBondContact ND2-N 2.81Å; N219-Q228 PolarHBondContact OD1-N 3.49Å; N219-Q228 PolarHBondContact OD1-O 3.17Å; S226-Q228 PolarHBondContact O-N 2.83Å; Q228-L240 HydrophobicContact CB-CD1 4.21Å; Q228-W241 VanDerWaalsContact CA-O 3.23Å; Q228-W241 WeakPolarHBondContact CA-O 3.38Å; Q228-F268 HydrophobicContact CB-CD1 4.44Å; Q228-F268 HydrophobicContact CB-CE1 3.78Å; Q228-F268 HydrophobicContact CB-CZ 4.42Å |
| 229 | C | 97.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.4 | 176 | -179.3 | 0 | 0 | 0 | 0 | 110 | L217 L218 L240 W241 L243 | L217-C229 CarbonylContact O-C 3.47Å; L217-C229 VanDerWaalsContact O-CA 3.31Å; L217-C229 WeakPolarHBondContact O-CA 2.96Å; L217-C229 PolarHBondContact O-SG 3.35Å; L217-C229 VanDerWaalsContact O-SG 3.37Å; L218-C229 HydrophobicContact CD2-CB 3.73Å; C229-L240 CarbonylContact O-C 3.44Å; C229-L240 WeakPolarHBondContact O-CA 3.18Å; C229-W241 HydrophobicContact CB-CB 4.19Å; C229-W241 PolarHBondContact N-O 2.89Å; C229-W241 PolarHBondContact O-N 3.18Å; C229-L243 HydrophobicContact CB-CD1 4.03Å |
| 230 | L | 98.5 | Very high | 84 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.7 | 164.4 | -75.6 | 165.1 | 0 | 0 | 0 | 109.2 | L216 L217 I238 R239 L240 L262 V264 F268 V271 L285 | L216-L230 CarbonylContact C-O 3.58Å; L216-L230 WeakPolarHBondContact CA-O 3.15Å; L217-L230 HydrophobicContact CB-CB 4.31Å; L217-L230 PolarHBondContact N-O 2.81Å; L217-L230 PolarHBondContact O-N 3.22Å; L230-I238 HydrophobicContact CD2-CG2 4.32Å; L230-R239 CarbonylContact C-O 3.37Å; L230-R239 VanDerWaalsContact CA-O 3.32Å; L230-R239 WeakPolarHBondContact CA-O 3.43Å; L230-L240 HydrophobicContact CD2-CB 4.04Å; L230-L240 HydrophobicContact CD2-CD1 3.81Å; L230-L240 HydrophobicContact CD2-CG 4.5Å; L230-L240 HydrophobicContact CG-CD1 4.08Å; L230-L262 HydrophobicContact CB-CD1 4.37Å; L230-V264 HydrophobicContact CD1-CB 4.34Å; L230-V264 HydrophobicContact CD1-CG2 4.01Å; L230-F268 HydrophobicContact CB-CZ 4.31Å; L230-F268 HydrophobicContact CD1-CE1 4.05Å; L230-F268 HydrophobicContact CD1-CE2 3.96Å; L230-F268 HydrophobicContact CD1-CZ 3.61Å; L230-F268 HydrophobicContact CG-CE1 4.04Å; L230-F268 HydrophobicContact CG-CE2 4.42Å; L230-F268 HydrophobicContact CG-CZ 3.64Å; L230-V271 HydrophobicContact CD1-CB 4.15Å; L230-V271 HydrophobicContact CD1-CG2 4.04Å; L230-L285 HydrophobicContact CD1-CD1 3.99Å; L230-L285 HydrophobicContact CD2-CD1 4.31Å; L230-L285 HydrophobicContact CD2-CD2 3.78Å |
| 231 | S | 98.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.3 | 176.3 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | H209 S215 I238 R239 W241 | H209-S231 PolarHBondContact CD2-OG 2.82Å; H209-S231 PolarHBondContact NE2-OG 3.12Å; S215-S231 CarbonylContact O-C 3.56Å; S215-S231 VanDerWaalsContact O-CA 3.31Å; S215-S231 WeakPolarHBondContact O-CA 3.32Å; S231-I238 CarbonylContact O-C 3.59Å; S231-I238 VanDerWaalsContact O-CA 3.26Å; S231-I238 WeakPolarHBondContact O-CA 3.45Å; S231-R239 PolarHBondContact N-O 3.5Å; S231-R239 PolarHBondContact O-N 2.84Å; S231-W241 PolarHBondContact OG-NE1 2.78Å |
| 232 | G | 98.8 | Very high | 86 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | K214 S215 V259 L262 | K214-G232 PolarHBondContact N-O 3.24Å; S215-G232 PolarHBondContact N-O 2.97Å; S215-G232 PolarHBondContact O-N 3.26Å; G232-V259 CarbonylContact C-O 3.59Å; G232-L262 VanDerWaalsContact N-CD1 3.34Å |
| 233 | S | 98.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 158.5 | -174.3 | 175.6 | 0 | 0 | 0 | 0 | 112.8 | H209 D211 N212 D235 G236 T237 V259 | H209-S233 WeakPolarHBondContact CE1-CB 3.5Å; H209-S233 WeakPolarHBondContact ND1-CB 3.05Å; D211-S233 PolarHBondContact O-OG 3.21Å; N212-S233 WeakPolarHBondContact O-CA 3.24Å; N212-S233 PolarHBondContact O-OG 2.86Å; N212-S233 VanDerWaalsContact O-OG 3.12Å; S233-D235 VanDerWaalsContact CB-OD1 3.29Å; S233-D235 WeakPolarHBondContact CB-OD1 3.49Å; S233-D235 PolarHBondContact O-N 3.46Å; S233-D235 VanDerWaalsContact O-N 3.17Å; S233-D235 PolarHBondContact OG-N 2.95Å; S233-D235 PolarHBondContact OG-OD1 3.21Å; S233-G236 PolarHBondContact O-N 3.46Å; S233-G236 VanDerWaalsContact O-N 3.16Å; S233-T237 PolarHBondContact N-O 3.36Å; S233-V259 CarbonylContact C-O 3.53Å; S233-V259 PolarHBondContact O-N 3.14Å |
| 234 | S | 98.8 | Very high | 90.8 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.4 | 172.2 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | D211 N212 G236 G258 | D211-S234 WeakPolarHBondContact OD2-CB 3.38Å; N212-S234 PolarHBondContact O-N 2.77Å; N212-S234 PolarHBondContact O-OG 3.46Å; N212-S234 VanDerWaalsContact O-OG 3.08Å; S234-G236 PolarHBondContact O-N 2.6Å; S234-G258 WeakPolarHBondContact O-CA 3.42Å |
| 235 | D | 98.6 | Very high | 93 | Very high | 35 Ų | 35 | 24.3 Ų | 24.3 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 4.2 | 171.4 | 68.5 | 17.1 | 0 | 0 | 0 | 114.7 | H209 T210 D211 S233 T237 | H209-D235 WeakPolarHBondContact CA-OD2 3.48Å; H209-D235 IonicContact CE1-OD1 3.4Å; H209-D235 IonicContact CG-OD2 3.18Å; H209-D235 IonicContact ND1-OD1 3.89Å; H209-D235 PolarHBondContact ND1-OD1 2.88Å; H209-D235 IonicContact ND1-OD2 2.98Å; H209-D235 PolarHBondContact ND1-OD2 3.25Å; T210-D235 PolarHBondContact N-OD2 3.16Å; T210-D235 WeakPolarHBondContact OG1-CB 3.43Å; T210-D235 PolarHBondContact OG1-OD2 2.93Å; D211-D235 HydrophobicContact CB-CB 3.88Å; S233-D235 VanDerWaalsContact CB-OD1 3.29Å; S233-D235 WeakPolarHBondContact CB-OD1 3.49Å; S233-D235 PolarHBondContact O-N 3.46Å; S233-D235 VanDerWaalsContact O-N 3.17Å; S233-D235 PolarHBondContact OG-N 2.95Å; S233-D235 PolarHBondContact OG-OD1 3.21Å; D235-T237 PolarHBondContact O-N 2.56Å; D235-T237 VanDerWaalsContact OD1-CB 3.31Å; D235-T237 WeakPolarHBondContact OD1-CB 3.4Å; D235-T237 PolarHBondContact OD1-N 2.83Å; D235-T237 PolarHBondContact OD1-OG1 2.96Å; D235-T237 PolarHBondContact OD2-OG1 3.26Å |
| 236 | G | 98 | Very high | 95.1 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 8% | 0.082 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 78.9 | 2.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S233 S234 E257 | S233-G236 PolarHBondContact O-N 3.46Å; S233-G236 VanDerWaalsContact O-N 3.16Å; S234-G236 PolarHBondContact O-N 2.6Å; G236-E257 VanDerWaalsContact CA-O 3.32Å; G236-E257 WeakPolarHBondContact CA-O 3.36Å |
| 237 | T | 98.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | trans | -104.1 | 148.1 | -178.1 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | H209 S233 D235 T251 Y252 R253 | H209-T237 PolarHBondContact CE1-OG1 3.17Å; H209-T237 VanDerWaalsContact CE1-OG1 3.27Å; H209-T237 PolarHBondContact ND1-OG1 3.37Å; S233-T237 PolarHBondContact N-O 3.36Å; D235-T237 PolarHBondContact O-N 2.56Å; D235-T237 VanDerWaalsContact OD1-CB 3.31Å; D235-T237 WeakPolarHBondContact OD1-CB 3.4Å; D235-T237 PolarHBondContact OD1-N 2.83Å; D235-T237 PolarHBondContact OD1-OG1 2.96Å; D235-T237 PolarHBondContact OD2-OG1 3.26Å; T237-T251 HydrophobicContact CG2-CG2 4.12Å; T237-Y252 WeakPolarHBondContact CA-O 3.36Å; T237-R253 HydrophobicContact CG2-CG 4.08Å | ||
| 238 | I | 98.9 | Very high | 97 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.4 | 164.4 | -52.9 | 166 | 0 | 0 | 0 | 107.1 | L230 S231 T251 Y252 V254 V259 L262 S273 | L230-I238 HydrophobicContact CD2-CG2 4.32Å; S231-I238 CarbonylContact O-C 3.59Å; S231-I238 VanDerWaalsContact O-CA 3.26Å; S231-I238 WeakPolarHBondContact O-CA 3.45Å; I238-T251 CarbonylContact O-C 3.58Å; I238-T251 WeakPolarHBondContact O-CA 3.46Å; I238-Y252 HydrophobicContact CB-CD2 4.06Å; I238-Y252 HydrophobicContact CG2-CD2 4.05Å; I238-Y252 PolarHBondContact N-O 3.22Å; I238-Y252 WeakPolarHBondContact O-CD2 3.14Å; I238-Y252 PolarHBondContact O-N 3.39Å; I238-V254 HydrophobicContact CD1-CG2 3.97Å; I238-V259 HydrophobicContact CG1-CG1 4.14Å; I238-V259 HydrophobicContact CG1-CG2 4.19Å; I238-L262 HydrophobicContact CD1-CD2 4.06Å; I238-L262 HydrophobicContact CG1-CD2 4.14Å; I238-L262 HydrophobicContact CG2-CD1 4.26Å; I238-L262 HydrophobicContact CG2-CD2 4.26Å; I238-S273 WeakPolarHBondContact CD1-OG 3.39Å |
| 239 | R | 98.7 | Very high | 97.1 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 13% | 0.128 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.4 | 179.4 | -69.3 | -178.7 | 179.7 | -114.7 | 1.2 | 111.5 | G208 H209 L230 S231 W241 A250 T251 | G208-R239 PolarHBondContact O-NH2 2.93Å; H209-R239 VanDerWaalsContact CE1-CD 3.48Å; H209-R239 WeakPolarHBondContact CE1-CD 3.42Å; L230-R239 CarbonylContact C-O 3.37Å; L230-R239 VanDerWaalsContact CA-O 3.32Å; L230-R239 WeakPolarHBondContact CA-O 3.43Å; S231-R239 PolarHBondContact N-O 3.5Å; S231-R239 PolarHBondContact O-N 2.84Å; R239-W241 HydrophobicContact CB-CZ2 3.86Å; R239-W241 VanDerWaalsContact CD-CZ2 3.44Å; R239-W241 HydrophobicContact CG-CZ2 4.3Å; R239-A250 WeakPolarHBondContact CA-O 3.5Å; R239-T251 HydrophobicContact CG-CG2 4.18Å |
| 240 | L | 98.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.7 | 168.6 | -179.5 | 65 | 0 | 0 | 0 | 108.8 | Q228 C229 L230 I249 A250 Y252 F268 | Q228-L240 HydrophobicContact CB-CD1 4.21Å; C229-L240 CarbonylContact O-C 3.44Å; C229-L240 WeakPolarHBondContact O-CA 3.18Å; L230-L240 HydrophobicContact CD2-CB 4.04Å; L230-L240 HydrophobicContact CD2-CD1 3.81Å; L230-L240 HydrophobicContact CD2-CG 4.5Å; L230-L240 HydrophobicContact CG-CD1 4.08Å; L240-I249 HydrophobicContact CB-CG1 4.12Å; L240-I249 HydrophobicContact CD2-CD1 3.66Å; L240-I249 HydrophobicContact CD2-CG1 3.87Å; L240-I249 HydrophobicContact CG-CD1 3.74Å; L240-I249 HydrophobicContact CG-CG1 3.66Å; L240-I249 WeakPolarHBondContact O-CG1 3.47Å; L240-I249 PolarHBondContact O-N 2.84Å; L240-A250 HydrophobicContact CB-CB 4.18Å; L240-A250 PolarHBondContact N-O 3.21Å; L240-A250 PolarHBondContact O-N 3.08Å; L240-Y252 HydrophobicContact CB-CE2 4.06Å; L240-F268 HydrophobicContact CD1-CE1 3.8Å |
| 241 | W | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139 | -177.6 | -51.2 | 86.8 | 0 | 0 | 0 | 110.3 | L192 L206 K207 H209 Q228 C229 S231 R239 R247 C248 | L192-W241 HydrophobicContact CD1-CZ2 4.3Å; L206-W241 HydrophobicContact CB-CD2 4.22Å; L206-W241 HydrophobicContact CB-CE3 3.64Å; L206-W241 HydrophobicContact CB-CH2 4.25Å; L206-W241 HydrophobicContact CB-CZ3 3.66Å; L206-W241 HydrophobicContact CD1-CB 3.99Å; L206-W241 HydrophobicContact CD1-CD2 4.05Å; L206-W241 HydrophobicContact CD1-CE3 4.03Å; L206-W241 HydrophobicContact CD1-CG 4.03Å; L206-W241 HydrophobicContact CD2-CE3 4.34Å; L206-W241 HydrophobicContact CG-CE3 4.23Å; K207-W241 WeakPolarHBondContact O-CZ3 3.43Å; H209-W241 AromaticContact CD2-CZ2 3.99Å; Q228-W241 VanDerWaalsContact CA-O 3.23Å; Q228-W241 WeakPolarHBondContact CA-O 3.38Å; C229-W241 HydrophobicContact CB-CB 4.19Å; C229-W241 PolarHBondContact N-O 2.89Å; C229-W241 PolarHBondContact O-N 3.18Å; S231-W241 PolarHBondContact OG-NE1 2.78Å; R239-W241 HydrophobicContact CB-CZ2 3.86Å; R239-W241 VanDerWaalsContact CD-CZ2 3.44Å; R239-W241 HydrophobicContact CG-CZ2 4.3Å; W241-R247 WeakPolarHBondContact CA-O 3.45Å; W241-C248 HydrophobicContact CD2-CB 4.25Å; W241-C248 VanDerWaalsContact CE3-CA 3.46Å; W241-C248 HydrophobicContact CE3-CB 3.63Å; W241-C248 VanDerWaalsContact CE3-N 3.27Å; W241-C248 HydrophobicContact CH2-CB 4.03Å; W241-C248 HydrophobicContact CZ3-CB 3.5Å; W241-C248 VanDerWaalsContact CZ3-CB 3.5Å |
| 242 | S | 95.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118 | 163.4 | 173.9 | 0 | 0 | 0 | 0 | 108.1 | S226 G244 Q245 Q246 R247 | S226-S242 PolarHBondContact OG-OG 3.41Å; S242-G244 VanDerWaalsContact C-N 3.35Å; S242-Q245 PolarHBondContact O-N 3.39Å; S242-Q245 PolarHBondContact OG-N 3.27Å; S242-Q246 WeakPolarHBondContact O-CA 3.47Å; S242-Q246 PolarHBondContact O-N 2.85Å; S242-R247 PolarHBondContact N-O 3.21Å; S242-R247 PolarHBondContact O-N 2.96Å |
| 243 | L | 93.6 | Very high | 97 | Very high | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -32.4 | 176.4 | -73.1 | 114.3 | 0 | 0 | 0 | 111.6 | V182 V194 M204 L218 T227 C229 Q245 Q246 | V182-L243 HydrophobicContact CG1-CD2 3.95Å; V194-L243 HydrophobicContact CB-CD2 4.4Å; V194-L243 HydrophobicContact CG1-CD2 3.58Å; V194-L243 HydrophobicContact CG2-CD2 4.02Å; M204-L243 HydrophobicContact CE-CB 4.23Å; M204-L243 HydrophobicContact CE-CD2 4.25Å; M204-L243 WeakPolarHBondContact CE-O 3.35Å; M204-L243 HydrophobicContact SD-CB 4.17Å; M204-L243 HydrophobicContact SD-CD2 3.97Å; M204-L243 HydrophobicContact SD-CG 4.33Å; L218-L243 HydrophobicContact CD2-CD1 3.95Å; T227-L243 HydrophobicContact CG2-CD1 3.68Å; T227-L243 WeakPolarHBondContact O-CB 2.97Å; T227-L243 VanDerWaalsContact O-CD1 3.28Å; T227-L243 WeakPolarHBondContact O-CD1 3.34Å; T227-L243 PolarHBondContact O-N 2.91Å; C229-L243 HydrophobicContact CB-CD1 4.03Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 3.14Å; L243-Q246 WeakPolarHBondContact O-CG 3.44Å; L243-Q246 PolarHBondContact O-N 2.92Å |
| 244 | G | 91.1 | Very high | 96.8 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 66% | 0.66 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S242 | S242-G244 VanDerWaalsContact C-N 3.35Š|
| 245 | Q | 93.3 | Very high | 96.7 | Very high | 110 Ų | 110 | 43.1 Ų | 43.1 | 51% | 0.514 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -4.3 | 176.6 | -58.9 | 178.7 | 34.8 | 0 | 0 | 113.4 | S242 L243 R247 | S242-Q245 PolarHBondContact O-N 3.39Å; S242-Q245 PolarHBondContact OG-N 3.27Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 3.14Å; Q245-R247 HydrophobicContact CB-CG 3.92Å; Q245-R247 PolarHBondContact O-N 3.38Å; Q245-R247 VanDerWaalsContact O-N 3.15Å |
| 246 | Q | 95.8 | Very high | 96.6 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 35.9 | -178.1 | -49.3 | -171.1 | 12.7 | 0 | 0 | 114.4 | M204 L206 S242 L243 | M204-Q246 HydrophobicContact CB-CG 4.47Å; M204-Q246 HydrophobicContact CE-CG 3.98Å; M204-Q246 HydrophobicContact SD-CB 4.13Å; M204-Q246 HydrophobicContact SD-CG 3.75Å; L206-Q246 HydrophobicContact CD2-CB 4.41Å; S242-Q246 WeakPolarHBondContact O-CA 3.47Å; S242-Q246 PolarHBondContact O-N 2.85Å; L243-Q246 WeakPolarHBondContact O-CG 3.44Å; L243-Q246 PolarHBondContact O-N 2.92Å |
| 247 | R | 96.3 | Very high | 96.6 | Very high | 129 Ų | 129 | 52.2 Ų | 52.2 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 161.5 | -176 | 71.7 | 179.4 | -175.3 | 93 | -3.3 | 113.2 | W241 S242 Q245 I249 | W241-R247 WeakPolarHBondContact CA-O 3.45Å; S242-R247 PolarHBondContact N-O 3.21Å; S242-R247 PolarHBondContact O-N 2.96Å; Q245-R247 HydrophobicContact CB-CG 3.92Å; Q245-R247 PolarHBondContact O-N 3.38Å; Q245-R247 VanDerWaalsContact O-N 3.15Å; R247-I249 HydrophobicContact CG-CG2 4.29Å |
| 248 | C | 97.9 | Very high | 96.6 | Very high | 30 Ų | 30 | 52 Ų | 52 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 131.7 | 166.8 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | W241 A250 | W241-C248 HydrophobicContact CD2-CB 4.25Å; W241-C248 VanDerWaalsContact CE3-CA 3.46Å; W241-C248 HydrophobicContact CE3-CB 3.63Å; W241-C248 VanDerWaalsContact CE3-N 3.27Å; W241-C248 HydrophobicContact CH2-CB 4.03Å; W241-C248 HydrophobicContact CZ3-CB 3.5Å; W241-C248 VanDerWaalsContact CZ3-CB 3.5Å; C248-A250 PolarHBondContact SG-O 2.88Å |
| 249 | I | 96.8 | Very high | 96.6 | Very high | 59 Ų | 59 | 52 Ų | 52 | 30% | 0.303 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -23.4 | 178.1 | 60.5 | 171.2 | 0 | 0 | 0 | 112.7 | L240 R247 | L240-I249 HydrophobicContact CB-CG1 4.12Å; L240-I249 HydrophobicContact CD2-CD1 3.66Å; L240-I249 HydrophobicContact CD2-CG1 3.87Å; L240-I249 HydrophobicContact CG-CD1 3.74Å; L240-I249 HydrophobicContact CG-CG1 3.66Å; L240-I249 WeakPolarHBondContact O-CG1 3.47Å; L240-I249 PolarHBondContact O-N 2.84Å; R247-I249 HydrophobicContact CG-CG2 4.29Å |
| 250 | A | 97.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 152.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R239 L240 C248 Y252 | R239-A250 WeakPolarHBondContact CA-O 3.5Å; L240-A250 HydrophobicContact CB-CB 4.18Å; L240-A250 PolarHBondContact N-O 3.21Å; L240-A250 PolarHBondContact O-N 3.08Å; C248-A250 PolarHBondContact SG-O 2.88Å; A250-Y252 HydrophobicContact CB-CE1 4.07Å; A250-Y252 HydrophobicContact CB-CE2 4.13Å; A250-Y252 WeakPolarHBondContact CB-OH 3.44Å |
| 251 | T | 98.3 | Very high | 96.6 | Very high | 45 Ų | 45 | 52 Ų | 52 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 120.5 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | T237 I238 R239 | T237-T251 HydrophobicContact CG2-CG2 4.12Å; I238-T251 CarbonylContact O-C 3.58Å; I238-T251 WeakPolarHBondContact O-CA 3.46Å; R239-T251 HydrophobicContact CG-CG2 4.18Å |
| 252 | Y | 97.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.6 | -178.6 | -43.6 | -77.2 | 0 | 0 | 0 | 109.9 | T237 I238 L240 A250 L285 P288 | T237-Y252 WeakPolarHBondContact CA-O 3.36Å; I238-Y252 HydrophobicContact CB-CD2 4.06Å; I238-Y252 HydrophobicContact CG2-CD2 4.05Å; I238-Y252 PolarHBondContact N-O 3.22Å; I238-Y252 WeakPolarHBondContact O-CD2 3.14Å; I238-Y252 PolarHBondContact O-N 3.39Å; L240-Y252 HydrophobicContact CB-CE2 4.06Å; A250-Y252 HydrophobicContact CB-CE1 4.07Å; A250-Y252 HydrophobicContact CB-CE2 4.13Å; A250-Y252 WeakPolarHBondContact CB-OH 3.44Å; Y252-L285 HydrophobicContact CD2-CD2 4.33Å; Y252-L285 HydrophobicContact CE2-CD2 3.5Å; Y252-L285 VanDerWaalsContact CE2-CD2 3.5Å; Y252-L285 PolarHBondContact OH-O 2.88Å; Y252-P288 HydrophobicContact CD1-CB 3.64Å; Y252-P288 HydrophobicContact CE1-CB 3.92Å |
| 253 | R | 96.8 | Very high | 96.8 | Very high | 176 Ų | 176 | 52.9 Ų | 52.9 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | trans | -120.8 | 74 | 180 | -67.3 | -174.7 | -180 | 80.5 | -2.4 | 109.6 | T237 | T237-R253 HydrophobicContact CG2-CG 4.08Š| ||
| 254 | V | 95.1 | Very high | 97 | Very high | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | trans | -101 | -13.1 | -179.1 | -58 | 0 | 0 | 0 | 0 | 113 | I238 Y281 T283 | I238-V254 HydrophobicContact CD1-CG2 3.97Å; V254-Y281 HydrophobicContact CB-CD2 4.39Å; V254-Y281 HydrophobicContact CG2-CD2 4.21Å; V254-Y281 HydrophobicContact CG2-CG 4.47Å; V254-Y281 VanDerWaalsContact O-CE2 3.26Å; V254-Y281 WeakPolarHBondContact O-CE2 3.47Å; V254-T283 HydrophobicContact CG1-CG2 4.39Å | ||
| 255 | H | 96.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | trans | -111.2 | 147.9 | -179.5 | -71.2 | -82.5 | 0 | 0 | 0 | 111.3 | E257 V259 S273 D277 K279 Y281 | H255-E257 WeakPolarHBondContact CB-O 3.43Å; H255-V259 HydrophobicContact CB-CG2 3.85Å; H255-V259 VanDerWaalsContact CD2-CG2 3.46Å; H255-V259 WeakPolarHBondContact CD2-CG2 3.48Å; H255-S273 VanDerWaalsContact NE2-CB 3.31Å; H255-S273 WeakPolarHBondContact NE2-CB 3.49Å; H255-S273 PolarHBondContact NE2-O 3.07Å; H255-S273 PolarHBondContact NE2-OG 3.43Å; H255-D277 VanDerWaalsContact CA-OD2 3.31Å; H255-D277 WeakPolarHBondContact CA-OD2 3.33Å; H255-D277 VanDerWaalsContact CB-OD2 3.22Å; H255-D277 WeakPolarHBondContact CB-OD2 3.42Å; H255-D277 IonicContact CE1-OD1 2.83Å; H255-D277 IonicContact CG-OD2 2.71Å; H255-D277 VanDerWaalsContact ND1-CG 3.31Å; H255-D277 IonicContact ND1-OD1 3.25Å; H255-D277 PolarHBondContact ND1-OD1 3.01Å; H255-D277 IonicContact ND1-OD2 3.85Å; H255-D277 PolarHBondContact ND1-OD2 3.12Å; H255-K279 PolarHBondContact CE1-O 2.79Å; H255-Y281 AromaticContact CE1-CD2 3.6Å; H255-Y281 AromaticContact NE2-CD2 3.83Å | ||
| 256 | E | 95.3 | Very high | 97 | Very high | 150 Ų | 150 | 51 Ų | 51 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -87.7 | -24.9 | 176.8 | -68 | 167.6 | -139 | 0 | 0 | 111.8 | D277 K279 | E256-D277 PolarHBondContact N-OD2 3.11Å; E256-K279 IonicContact OE1-NZ 3.54Å; E256-K279 PolarHBondContact OE1-NZ 3.21Å |
| 257 | E | 98.2 | Very high | 96.8 | Very high | 83 Ų | 83 | 48.3 Ų | 48.3 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -126.3 | -178 | 178.7 | -60.6 | -173.3 | -114.6 | 0 | 0 | 111.1 | G236 H255 V259 R276 D277 | G236-E257 VanDerWaalsContact CA-O 3.32Å; G236-E257 WeakPolarHBondContact CA-O 3.36Å; H255-E257 WeakPolarHBondContact CB-O 3.43Å; E257-V259 PolarHBondContact O-N 3.26Å; E257-R276 HydrophobicContact CB-CB 3.8Å; E257-R276 HydrophobicContact CB-CG 4.27Å; E257-R276 WeakPolarHBondContact OE2-CD 3.39Å; E257-R276 WeakPolarHBondContact OE2-CG 2.98Å; E257-R276 IonicContact OE2-CZ 3.52Å; E257-R276 IonicContact OE2-NE 2.78Å; E257-R276 PolarHBondContact OE2-NE 3.12Å; E257-D277 HydrophobicContact CB-CB 4.13Å; E257-D277 HydrophobicContact CG-CB 4.33Å |
| 258 | G | 98.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | trans | -57.7 | 134.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S234 G275 R276 | S234-G258 WeakPolarHBondContact O-CA 3.42Å; G258-G275 WeakPolarHBondContact O-CA 3.4Å; G258-R276 PolarHBondContact O-N 2.98Å | ||
| 259 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.6 | 176.9 | -173 | 0 | 0 | 0 | 0 | 110 | G232 S233 I238 H255 E257 L262 | G232-V259 CarbonylContact C-O 3.59Å; S233-V259 CarbonylContact C-O 3.53Å; S233-V259 PolarHBondContact O-N 3.14Å; I238-V259 HydrophobicContact CG1-CG1 4.14Å; I238-V259 HydrophobicContact CG1-CG2 4.19Å; H255-V259 HydrophobicContact CB-CG2 3.85Å; H255-V259 VanDerWaalsContact CD2-CG2 3.46Å; H255-V259 WeakPolarHBondContact CD2-CG2 3.48Å; E257-V259 PolarHBondContact O-N 3.26Å; V259-L262 HydrophobicContact CG1-CD2 3.9Å |
| 260 | W | 98.8 | Very high | 96.3 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 17% | 0.167 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | -23.7 | -170.6 | -60.7 | -12.6 | 0 | 0 | 0 | 113.7 | K214 G274 R276 P300 L302 | K214-W260 HydrophobicContact CD-CB 4.47Å; K214-W260 HydrophobicContact CD-CG 3.97Å; W260-G274 PolarHBondContact N-O 3.15Å; W260-R276 HydrophobicContact CD2-CB 4.48Å; W260-R276 HydrophobicContact CH2-CB 3.75Å; W260-R276 HydrophobicContact CH2-CG 3.69Å; W260-R276 HydrophobicContact CZ2-CB 3.56Å; W260-R276 HydrophobicContact CZ2-CG 3.76Å; W260-R276 HydrophobicContact CZ3-CB 4.29Å; W260-P300 HydrophobicContact CE3-CB 4.48Å; W260-P300 HydrophobicContact CH2-CB 4.33Å; W260-P300 HydrophobicContact CZ3-CB 3.67Å; W260-L302 HydrophobicContact CE3-CD2 3.92Å; W260-L302 HydrophobicContact CZ3-CD2 4.03Å |
| 261 | A | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S273 G274 V301 M304 | A261-S273 WeakPolarHBondContact O-CA 3.49Å; A261-G274 PolarHBondContact N-O 3.05Å; A261-G274 PolarHBondContact O-N 3.41Å; A261-V301 HydrophobicContact CB-CG1 4.15Å; A261-M304 HydrophobicContact CB-CE 3.95Å; A261-M304 HydrophobicContact CB-CG 4.1Å; A261-M304 WeakPolarHBondContact O-CE 3.4Å |
| 262 | L | 98.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146.5 | 171.4 | -62.5 | 177.9 | 0 | 0 | 0 | 109.7 | S215 L217 L230 G232 I238 V259 V271 Y272 | S215-L262 WeakPolarHBondContact OG-CB 3.49Å; S215-L262 PolarHBondContact OG-N 2.69Å; L217-L262 HydrophobicContact CD1-CB 3.65Å; L217-L262 HydrophobicContact CG-CB 4.17Å; L230-L262 HydrophobicContact CB-CD1 4.37Å; G232-L262 VanDerWaalsContact N-CD1 3.34Å; I238-L262 HydrophobicContact CD1-CD2 4.06Å; I238-L262 HydrophobicContact CG1-CD2 4.14Å; I238-L262 HydrophobicContact CG2-CD1 4.26Å; I238-L262 HydrophobicContact CG2-CD2 4.26Å; V259-L262 HydrophobicContact CG1-CD2 3.9Å; L262-V271 HydrophobicContact CD2-CG2 3.9Å; L262-Y272 CarbonylContact C-O 3.58Å; L262-Y272 VanDerWaalsContact CA-O 3.26Å; L262-Y272 WeakPolarHBondContact CA-O 3.31Å |
| 263 | Q | 98.7 | Very high | 96.4 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 161.7 | 162.3 | -78.9 | -71.5 | -26.3 | 0 | 0 | 108.8 | Y272 M304 E305 L306 | Q263-Y272 HydrophobicContact CB-CD2 4.46Å; Q263-Y272 PolarHBondContact N-O 2.83Å; Q263-Y272 PolarHBondContact O-N 3.09Å; Q263-M304 HydrophobicContact CG-CB 4.09Å; Q263-M304 VanDerWaalsContact CG-O 3.31Å; Q263-M304 WeakPolarHBondContact CG-O 3.24Å; Q263-M304 PolarHBondContact NE2-O 2.98Å; Q263-E305 PolarHBondContact NE2-OE2 3.28Å; Q263-L306 HydrophobicContact CB-CD1 3.78Å; Q263-L306 HydrophobicContact CB-CG 3.82Å; Q263-L306 HydrophobicContact CG-CG 4.22Å |
| 264 | V | 97.2 | Very high | 96.5 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 7% | 0.073 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 145.5 | 179.1 | 72.8 | 0 | 0 | 0 | 0 | 110.1 | L217 L230 F268 H270 R308 | L217-V264 HydrophobicContact CD1-CB 3.97Å; L217-V264 HydrophobicContact CD1-CG1 4.02Å; L230-V264 HydrophobicContact CD1-CB 4.34Å; L230-V264 HydrophobicContact CD1-CG2 4.01Å; V264-F268 HydrophobicContact CB-CD2 4.31Å; V264-F268 HydrophobicContact CG1-CD2 3.72Å; V264-F268 HydrophobicContact CG1-CE2 3.94Å; V264-F268 HydrophobicContact CG2-CB 4.5Å; V264-F268 HydrophobicContact CG2-CD2 3.74Å; V264-F268 HydrophobicContact CG2-CE2 4.21Å; V264-F268 HydrophobicContact CG2-CG 4.16Å; V264-H270 WeakPolarHBondContact CA-O 3.32Å; V264-H270 VanDerWaalsContact CG2-O 3.28Å; V264-H270 WeakPolarHBondContact CG2-O 3.22Å; V264-R308 PolarHBondContact O-NH1 3.27Å; V264-R308 PolarHBondContact O-NH2 3.04Å |
| 265 | N | 94.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | trans | -69 | 164.3 | 172.3 | 72.3 | -27.5 | 0 | 0 | 0 | 111.9 | A267 F268 T269 H270 P313 | N265-A267 PolarHBondContact O-N 2.77Å; N265-F268 PolarHBondContact O-N 2.93Å; N265-F268 PolarHBondContact OD1-N 3.26Å; N265-T269 PolarHBondContact ND2-OG1 3.39Å; N265-T269 VanDerWaalsContact ND2-OG1 3.1Å; N265-T269 PolarHBondContact OD1-N 2.8Å; N265-T269 PolarHBondContact OD1-OG1 2.98Å; N265-H270 PolarHBondContact N-O 3.34Å; N265-H270 PolarHBondContact OD1-N 3.41Å; N265-P313 HydrophobicContact CB-CG 4.39Å | ||
| 266 | E | 90.8 | Very high | 96.8 | Very high | 118 Ų | 118 | 34.3 Ų | 34.3 | 55% | 0.551 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -36.9 | -177.5 | -67.7 | -61.3 | 134.9 | 0 | 0 | 112.9 | F268 R308 | E266-F268 PolarHBondContact O-N 2.77Å; E266-R308 IonicContact OE1-CZ 3.91Å; E266-R308 IonicContact OE1-NH1 3.36Å; E266-R308 PolarHBondContact OE1-NH1 2.92Å |
| 267 | A | 91.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 27.7 Ų | 27.7 | 50% | 0.504 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N265 T269 | N265-A267 PolarHBondContact O-N 2.77Å; A267-T269 VanDerWaalsContact C-N 3.25Å; A267-T269 HydrophobicContact CB-CG2 4.27Å; A267-T269 PolarHBondContact O-N 2.88Å |
| 268 | F | 93.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 9% | 0.092 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 54.3 | 39.1 | -176.4 | -151.9 | -98.3 | 0 | 0 | 0 | 113.6 | N219 Q228 L230 L240 V264 N265 E266 L285 | N219-F268 HydrophobicContact CB-CB 4.19Å; N219-F268 HydrophobicContact CB-CD1 3.92Å; N219-F268 HydrophobicContact CB-CD2 3.55Å; N219-F268 HydrophobicContact CB-CE1 4.12Å; N219-F268 HydrophobicContact CB-CE2 3.77Å; N219-F268 HydrophobicContact CB-CG 3.63Å; N219-F268 HydrophobicContact CB-CZ 4.04Å; Q228-F268 HydrophobicContact CB-CD1 4.44Å; Q228-F268 HydrophobicContact CB-CE1 3.78Å; Q228-F268 HydrophobicContact CB-CZ 4.42Å; L230-F268 HydrophobicContact CB-CZ 4.31Å; L230-F268 HydrophobicContact CD1-CE1 4.05Å; L230-F268 HydrophobicContact CD1-CE2 3.96Å; L230-F268 HydrophobicContact CD1-CZ 3.61Å; L230-F268 HydrophobicContact CG-CE1 4.04Å; L230-F268 HydrophobicContact CG-CE2 4.42Å; L230-F268 HydrophobicContact CG-CZ 3.64Å; L240-F268 HydrophobicContact CD1-CE1 3.8Å; V264-F268 HydrophobicContact CB-CD2 4.31Å; V264-F268 HydrophobicContact CG1-CD2 3.72Å; V264-F268 HydrophobicContact CG1-CE2 3.94Å; V264-F268 HydrophobicContact CG2-CB 4.5Å; V264-F268 HydrophobicContact CG2-CD2 3.74Å; V264-F268 HydrophobicContact CG2-CE2 4.21Å; V264-F268 HydrophobicContact CG2-CG 4.16Å; N265-F268 PolarHBondContact O-N 2.93Å; N265-F268 PolarHBondContact OD1-N 3.26Å; E266-F268 PolarHBondContact O-N 2.77Å; F268-L285 HydrophobicContact CD1-CD1 4.47Å; F268-L285 WeakPolarHBondContact O-CD1 3.31Å |
| 269 | T | 93.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 29.3 Ų | 29.3 | 19% | 0.19 | 14% | 0.141 | C | C | . | . | trans | -115 | -23.6 | -177.1 | 46.2 | 0 | 0 | 0 | 0 | 113.1 | N265 A267 L285 | N265-T269 PolarHBondContact ND2-OG1 3.39Å; N265-T269 VanDerWaalsContact ND2-OG1 3.1Å; N265-T269 PolarHBondContact OD1-N 2.8Å; N265-T269 PolarHBondContact OD1-OG1 2.98Å; A267-T269 VanDerWaalsContact C-N 3.25Å; A267-T269 HydrophobicContact CB-CG2 4.27Å; A267-T269 PolarHBondContact O-N 2.88Å; T269-L285 WeakPolarHBondContact O-CB 3.26Å; T269-L285 WeakPolarHBondContact O-CG 3.29Å; T269-L285 PolarHBondContact O-N 3.07Å | ||
| 270 | H | 95.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 8% | 0.083 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119 | -176.7 | -65.7 | 72.6 | 0 | 0 | 0 | 109.3 | V264 N265 Y272 T283 D284 R337 | V264-H270 WeakPolarHBondContact CA-O 3.32Å; V264-H270 VanDerWaalsContact CG2-O 3.28Å; V264-H270 WeakPolarHBondContact CG2-O 3.22Å; N265-H270 PolarHBondContact N-O 3.34Å; N265-H270 PolarHBondContact OD1-N 3.41Å; H270-Y272 HydrophobicContact CB-CE2 4.48Å; H270-T283 WeakPolarHBondContact CA-O 3.47Å; H270-D284 IonicContact CE1-OD2 2.75Å; H270-D284 IonicContact NE2-OD2 3.75Å; H270-D284 PolarHBondContact NE2-OD2 3.06Å; H270-R337 PolarHBondContact CD2-NH2 3.03Å; H270-R337 VanDerWaalsContact NE2-CZ 3.29Å; H270-R337 PolarHBondContact NE2-NH1 2.71Å; H270-R337 PolarHBondContact NE2-NH2 3.21Å |
| 271 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.9 | 175.3 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | L230 L262 C282 T283 L285 | L230-V271 HydrophobicContact CD1-CB 4.15Å; L230-V271 HydrophobicContact CD1-CG2 4.04Å; L262-V271 HydrophobicContact CD2-CG2 3.9Å; V271-C282 CarbonylContact O-C 3.54Å; V271-C282 WeakPolarHBondContact O-CA 3.42Å; V271-T283 PolarHBondContact N-O 2.93Å; V271-T283 PolarHBondContact O-N 2.69Å; V271-L285 HydrophobicContact CB-CD2 3.94Å; V271-L285 HydrophobicContact CB-CG 4.42Å; V271-L285 HydrophobicContact CG1-CD2 3.56Å; V271-L285 HydrophobicContact CG1-CG 4.3Å |
| 272 | Y | 98.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.02 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.4 | 171.7 | -57.9 | -97.5 | 0 | 0 | 0 | 107.5 | L262 Q263 H270 Y281 C282 I294 M304 L306 I316 L330 M333 | L262-Y272 CarbonylContact C-O 3.58Å; L262-Y272 VanDerWaalsContact CA-O 3.26Å; L262-Y272 WeakPolarHBondContact CA-O 3.31Å; Q263-Y272 HydrophobicContact CB-CD2 4.46Å; Q263-Y272 PolarHBondContact N-O 2.83Å; Q263-Y272 PolarHBondContact O-N 3.09Å; H270-Y272 HydrophobicContact CB-CE2 4.48Å; Y272-Y281 CarbonylContact C-O 3.58Å; Y272-Y281 VanDerWaalsContact CA-O 3.25Å; Y272-Y281 WeakPolarHBondContact CA-O 3.47Å; Y272-C282 HydrophobicContact CD1-CB 3.94Å; Y272-C282 HydrophobicContact CE1-CB 3.92Å; Y272-I294 HydrophobicContact CD1-CD1 3.72Å; Y272-I294 HydrophobicContact CE1-CD1 4.17Å; Y272-M304 WeakPolarHBondContact O-CE 3.42Å; Y272-L306 HydrophobicContact CD1-CD2 4.32Å; Y272-L306 HydrophobicContact CD2-CD1 3.78Å; Y272-L306 HydrophobicContact CD2-CD2 4.11Å; Y272-L306 HydrophobicContact CD2-CG 4.42Å; Y272-L306 HydrophobicContact CE1-CD2 4.25Å; Y272-L306 HydrophobicContact CE2-CD1 3.76Å; Y272-L306 HydrophobicContact CE2-CD2 4.04Å; Y272-L306 HydrophobicContact CG-CD2 4.25Å; Y272-I316 HydrophobicContact CD1-CD1 4.33Å; Y272-I316 HydrophobicContact CG-CD1 4.34Å; Y272-L330 HydrophobicContact CD1-CD1 4.47Å; Y272-L330 HydrophobicContact CE1-CD1 3.7Å; Y272-L330 HydrophobicContact CE1-CD2 4.34Å; Y272-M333 HydrophobicContact CE1-CE 4.4Å; Y272-M333 HydrophobicContact CE1-SD 4.43Å |
| 273 | S | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.6 | -173.4 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | I238 H255 A261 I280 Y281 | I238-S273 WeakPolarHBondContact CD1-OG 3.39Å; H255-S273 VanDerWaalsContact NE2-CB 3.31Å; H255-S273 WeakPolarHBondContact NE2-CB 3.49Å; H255-S273 PolarHBondContact NE2-O 3.07Å; H255-S273 PolarHBondContact NE2-OG 3.43Å; A261-S273 WeakPolarHBondContact O-CA 3.49Å; S273-I280 VanDerWaalsContact O-CA 3.32Å; S273-I280 WeakPolarHBondContact O-CA 3.32Å; S273-Y281 PolarHBondContact N-O 2.98Å; S273-Y281 PolarHBondContact O-N 3.24Å |
| 274 | G | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 155.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | W260 A261 | W260-G274 PolarHBondContact N-O 3.15Å; A261-G274 PolarHBondContact N-O 3.05Å; A261-G274 PolarHBondContact O-N 3.41Å |
| 275 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | -139.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | G258 D277 K278 V301 | G258-G275 WeakPolarHBondContact O-CA 3.4Å; G275-D277 VanDerWaalsContact C-N 3.35Å; G275-D277 PolarHBondContact O-N 2.96Å; G275-K278 PolarHBondContact O-N 3Å; G275-V301 PolarHBondContact O-N 3.03Å |
| 276 | R | 98.6 | Very high | 96.2 | Very high | 137 Ų | 137 | 35.2 Ų | 35.2 | 52% | 0.517 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -34 | -170.8 | -169.1 | 175.8 | 166.8 | 152.1 | 5.7 | 113.6 | E257 G258 W260 K278 | E257-R276 HydrophobicContact CB-CB 3.8Å; E257-R276 HydrophobicContact CB-CG 4.27Å; E257-R276 WeakPolarHBondContact OE2-CD 3.39Å; E257-R276 WeakPolarHBondContact OE2-CG 2.98Å; E257-R276 IonicContact OE2-CZ 3.52Å; E257-R276 IonicContact OE2-NE 2.78Å; E257-R276 PolarHBondContact OE2-NE 3.12Å; G258-R276 PolarHBondContact O-N 2.98Å; W260-R276 HydrophobicContact CD2-CB 4.48Å; W260-R276 HydrophobicContact CH2-CB 3.75Å; W260-R276 HydrophobicContact CH2-CG 3.69Å; W260-R276 HydrophobicContact CZ2-CB 3.56Å; W260-R276 HydrophobicContact CZ2-CG 3.76Å; W260-R276 HydrophobicContact CZ3-CB 4.29Å; R276-K278 PolarHBondContact O-N 2.8Å |
| 277 | D | 97.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 6% | 0.059 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -1.8 | 178.2 | 63.8 | 2.7 | 0 | 0 | 0 | 113.9 | H255 E256 E257 G275 K279 | H255-D277 VanDerWaalsContact CA-OD2 3.31Å; H255-D277 WeakPolarHBondContact CA-OD2 3.33Å; H255-D277 VanDerWaalsContact CB-OD2 3.22Å; H255-D277 WeakPolarHBondContact CB-OD2 3.42Å; H255-D277 IonicContact CE1-OD1 2.83Å; H255-D277 IonicContact CG-OD2 2.71Å; H255-D277 VanDerWaalsContact ND1-CG 3.31Å; H255-D277 IonicContact ND1-OD1 3.25Å; H255-D277 PolarHBondContact ND1-OD1 3.01Å; H255-D277 IonicContact ND1-OD2 3.85Å; H255-D277 PolarHBondContact ND1-OD2 3.12Å; E256-D277 PolarHBondContact N-OD2 3.11Å; E257-D277 HydrophobicContact CB-CB 4.13Å; E257-D277 HydrophobicContact CG-CB 4.33Å; G275-D277 VanDerWaalsContact C-N 3.35Å; G275-D277 PolarHBondContact O-N 2.96Å; D277-K279 PolarHBondContact O-N 2.8Å; D277-K279 PolarHBondContact OD1-N 2.88Å |
| 278 | K | 98.6 | Very high | 95.9 | Very high | 78 Ų | 78 | 32.3 Ų | 32.3 | 34% | 0.339 | 15% | 0.145 | S | C | . | . | trans | 67.8 | -11.6 | 176.1 | -39.8 | 170.3 | -168.4 | 158 | 0 | 115.4 | G275 R276 E296 E297 | G275-K278 PolarHBondContact O-N 3Å; R276-K278 PolarHBondContact O-N 2.8Å; K278-E296 HydrophobicContact CB-CG 4.34Å; K278-E297 HydrophobicContact CB-CB 4.38Å; K278-E297 WeakPolarHBondContact CB-O 3.25Å; K278-E297 WeakPolarHBondContact CD-O 3.24Å; K278-E297 PolarHBondContact O-N 3.25Å | ||
| 279 | K | 98.3 | Very high | 95.5 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 19% | 0.191 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 143.7 | 177.4 | -61.8 | -179.4 | -169.2 | 167.6 | 0 | 109.5 | H255 E256 D277 Y281 L293 E296 | H255-K279 PolarHBondContact CE1-O 2.79Å; E256-K279 IonicContact OE1-NZ 3.54Å; E256-K279 PolarHBondContact OE1-NZ 3.21Å; D277-K279 PolarHBondContact O-N 2.8Å; D277-K279 PolarHBondContact OD1-N 2.88Å; K279-Y281 HydrophobicContact CB-CD2 4.32Å; K279-Y281 HydrophobicContact CB-CE2 3.57Å; K279-Y281 HydrophobicContact CD-CE2 4.23Å; K279-Y281 WeakPolarHBondContact CD-OH 3.32Å; K279-L293 HydrophobicContact CB-CD1 3.93Å; K279-L293 HydrophobicContact CG-CD1 4.35Å; K279-E296 HydrophobicContact CG-CG 4.26Å |
| 280 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.4 | 176.5 | -56.3 | -176.8 | 0 | 0 | 0 | 108.9 | S273 I294 C295 E297 V301 M304 V318 | S273-I280 VanDerWaalsContact O-CA 3.32Å; S273-I280 WeakPolarHBondContact O-CA 3.32Å; I280-I294 HydrophobicContact CB-CB 4.45Å; I280-I294 HydrophobicContact CG2-CB 4.31Å; I280-I294 HydrophobicContact CG2-CD1 4.01Å; I280-I294 WeakPolarHBondContact O-CB 3.35Å; I280-I294 PolarHBondContact O-N 3.32Å; I280-C295 PolarHBondContact N-O 2.91Å; I280-E297 HydrophobicContact CD1-CG 4.15Å; I280-V301 HydrophobicContact CD1-CG2 3.95Å; I280-V301 HydrophobicContact CG1-CG2 3.98Å; I280-M304 HydrophobicContact CD1-SD 4.19Å; I280-M304 HydrophobicContact CG1-SD 4.49Å; I280-M304 HydrophobicContact CG2-SD 3.8Å; I280-V318 HydrophobicContact CD1-CB 4.28Å; I280-V318 HydrophobicContact CD1-CG1 3.71Å; I280-V318 HydrophobicContact CD1-CG2 3.6Å |
| 281 | Y | 97.8 | Very high | 95 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 148 | -178.5 | -65.8 | -80.7 | 0 | 0 | 0 | 111.6 | V254 H255 Y272 S273 K279 V292 L293 L350 | V254-Y281 HydrophobicContact CB-CD2 4.39Å; V254-Y281 HydrophobicContact CG2-CD2 4.21Å; V254-Y281 HydrophobicContact CG2-CG 4.47Å; V254-Y281 VanDerWaalsContact O-CE2 3.26Å; V254-Y281 WeakPolarHBondContact O-CE2 3.47Å; H255-Y281 AromaticContact CE1-CD2 3.6Å; H255-Y281 AromaticContact NE2-CD2 3.83Å; Y272-Y281 CarbonylContact C-O 3.58Å; Y272-Y281 VanDerWaalsContact CA-O 3.25Å; Y272-Y281 WeakPolarHBondContact CA-O 3.47Å; S273-Y281 PolarHBondContact N-O 2.98Å; S273-Y281 PolarHBondContact O-N 3.24Å; K279-Y281 HydrophobicContact CB-CD2 4.32Å; K279-Y281 HydrophobicContact CB-CE2 3.57Å; K279-Y281 HydrophobicContact CD-CE2 4.23Å; K279-Y281 WeakPolarHBondContact CD-OH 3.32Å; Y281-V292 CarbonylContact C-O 3.32Å; Y281-V292 WeakPolarHBondContact CA-O 3.44Å; Y281-L293 HydrophobicContact CD1-CB 4.16Å; Y281-L293 HydrophobicContact CD1-CD1 4.11Å; Y281-L293 HydrophobicContact CE1-CB 3.89Å; Y281-L293 HydrophobicContact CE1-CD1 3.68Å; Y281-L293 HydrophobicContact CE1-CG 4.33Å; Y281-L293 HydrophobicContact CE2-CD1 4.44Å; Y281-L350 HydrophobicContact CE1-CD1 4.11Å |
| 282 | C | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.6 | 156.4 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | V271 Y272 R291 V292 I294 M333 | V271-C282 CarbonylContact O-C 3.54Å; V271-C282 WeakPolarHBondContact O-CA 3.42Å; Y272-C282 HydrophobicContact CD1-CB 3.94Å; Y272-C282 HydrophobicContact CE1-CB 3.92Å; C282-R291 CarbonylContact O-C 3.56Å; C282-R291 VanDerWaalsContact O-CA 3.31Å; C282-R291 WeakPolarHBondContact O-CA 3.41Å; C282-V292 PolarHBondContact N-O 2.87Å; C282-V292 PolarHBondContact O-N 3.12Å; C282-I294 HydrophobicContact CB-CD1 3.96Å; C282-I294 HydrophobicContact CB-CG1 4.4Å; C282-M333 HydrophobicContact CB-CE 3.73Å; C282-M333 WeakPolarHBondContact SG-CE 3.46Å |
| 283 | T | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.6 | -178 | -50.9 | 0 | 0 | 0 | 0 | 110.1 | V254 H270 V271 | V254-T283 HydrophobicContact CG1-CG2 4.39Å; H270-T283 WeakPolarHBondContact CA-O 3.47Å; V271-T283 PolarHBondContact N-O 2.93Å; V271-T283 PolarHBondContact O-N 2.69Å |
| 284 | D | 94 | Very high | 94.5 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 123.2 | 170.3 | -168.9 | -41.5 | 0 | 0 | 0 | 109.6 | H270 R286 N287 I290 | H270-D284 IonicContact CE1-OD2 2.75Å; H270-D284 IonicContact NE2-OD2 3.75Å; H270-D284 PolarHBondContact NE2-OD2 3.06Å; D284-R286 PolarHBondContact O-N 3.46Å; D284-R286 VanDerWaalsContact OD1-CB 3.3Å; D284-R286 WeakPolarHBondContact OD1-CB 3.17Å; D284-R286 IonicContact OD1-CZ 2.83Å; D284-R286 PolarHBondContact OD1-N 2.92Å; D284-R286 IonicContact OD1-NE 2.77Å; D284-R286 PolarHBondContact OD1-NE 3.25Å; D284-R286 IonicContact OD1-NH2 3.37Å; D284-R286 IonicContact OD2-CZ 2.78Å; D284-R286 IonicContact OD2-NE 2.86Å; D284-R286 IonicContact OD2-NH2 2.81Å; D284-R286 PolarHBondContact OD2-NH2 3.31Å; D284-N287 CarbonylContact O-C 3.59Å; D284-N287 PolarHBondContact O-N 3.32Å; D284-N287 VanDerWaalsContact O-O 3.13Å; D284-I290 HydrophobicContact CB-CB 4.22Å; D284-I290 HydrophobicContact CB-CG2 4.49Å; D284-I290 PolarHBondContact N-O 2.73Å; D284-I290 VanDerWaalsContact N-O 3.08Å |
| 285 | L | 93.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -69.9 | -18.5 | -177.4 | -64.2 | 173.2 | 0 | 0 | 0 | 113.1 | L230 Y252 F268 T269 V271 | L230-L285 HydrophobicContact CD1-CD1 3.99Å; L230-L285 HydrophobicContact CD2-CD1 4.31Å; L230-L285 HydrophobicContact CD2-CD2 3.78Å; Y252-L285 HydrophobicContact CD2-CD2 4.33Å; Y252-L285 HydrophobicContact CE2-CD2 3.5Å; Y252-L285 VanDerWaalsContact CE2-CD2 3.5Å; Y252-L285 PolarHBondContact OH-O 2.88Å; F268-L285 HydrophobicContact CD1-CD1 4.47Å; F268-L285 WeakPolarHBondContact O-CD1 3.31Å; T269-L285 WeakPolarHBondContact O-CB 3.26Å; T269-L285 WeakPolarHBondContact O-CG 3.29Å; T269-L285 PolarHBondContact O-N 3.07Å; V271-L285 HydrophobicContact CB-CD2 3.94Å; V271-L285 HydrophobicContact CB-CG 4.42Å; V271-L285 HydrophobicContact CG1-CD2 3.56Å; V271-L285 HydrophobicContact CG1-CG 4.3Å |
| 286 | R | 92.4 | Very high | 94.4 | Very high | 174 Ų | 174 | 48.1 Ų | 48.1 | 66% | 0.657 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -89.7 | -30.4 | 179.5 | -55.6 | 164.7 | -64.3 | 173.1 | 5.5 | 111.4 | D284 | D284-R286 PolarHBondContact O-N 3.46Å; D284-R286 VanDerWaalsContact OD1-CB 3.3Å; D284-R286 WeakPolarHBondContact OD1-CB 3.17Å; D284-R286 IonicContact OD1-CZ 2.83Å; D284-R286 PolarHBondContact OD1-N 2.92Å; D284-R286 IonicContact OD1-NE 2.77Å; D284-R286 PolarHBondContact OD1-NE 3.25Å; D284-R286 IonicContact OD1-NH2 3.37Å; D284-R286 IonicContact OD2-CZ 2.78Å; D284-R286 IonicContact OD2-NE 2.86Å; D284-R286 IonicContact OD2-NH2 2.81Å; D284-R286 PolarHBondContact OD2-NH2 3.31Å |
| 287 | N | 89.7 | Confident | 94.4 | Very high | 62 Ų | 62 | 42 Ų | 42 | 33% | 0.332 | 20% | 0.197 | S | C | . | . | trans | -137.9 | 95.4 | 177.1 | -173.2 | -9.2 | 0 | 0 | 0 | 109.9 | D284 D289 I290 | D284-N287 CarbonylContact O-C 3.59Å; D284-N287 PolarHBondContact O-N 3.32Å; D284-N287 VanDerWaalsContact O-O 3.13Å; N287-D289 PolarHBondContact O-N 2.9Å; N287-D289 PolarHBondContact OD1-N 3.43Å; N287-I290 HydrophobicContact CB-CD1 3.95Å; N287-I290 HydrophobicContact CB-CG1 4.14Å; N287-I290 WeakPolarHBondContact O-CB 3.16Å; N287-I290 PolarHBondContact O-N 2.9Å | ||
| 288 | P | 86.9 | Confident | 94.3 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -15.6 | -172.3 | 31.2 | -37.5 | 0 | 0 | 0 | 114.3 | Y252 I290 | Y252-P288 HydrophobicContact CD1-CB 3.64Å; Y252-P288 HydrophobicContact CE1-CB 3.92Å; P288-I290 PolarHBondContact O-N 3.21Å |
| 289 | D | 85.3 | Confident | 94.3 | Very high | 138 Ų | 138 | 46.3 Ų | 46.3 | 74% | 0.738 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23.9 | 173.8 | -57.2 | -33.2 | 0 | 0 | 0 | 110.7 | N287 R291 | N287-D289 PolarHBondContact O-N 2.9Å; N287-D289 PolarHBondContact OD1-N 3.43Å; D289-R291 PolarHBondContact O-N 3.23Å; D289-R291 VanDerWaalsContact O-N 3.1Å |
| 290 | I | 88 | Confident | 94.4 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | trans | -82.2 | 89.6 | 172.1 | -53 | 177.6 | 0 | 0 | 0 | 109 | D284 N287 P288 | D284-I290 HydrophobicContact CB-CB 4.22Å; D284-I290 HydrophobicContact CB-CG2 4.49Å; D284-I290 PolarHBondContact N-O 2.73Å; D284-I290 VanDerWaalsContact N-O 3.08Å; N287-I290 HydrophobicContact CB-CD1 3.95Å; N287-I290 HydrophobicContact CB-CG1 4.14Å; N287-I290 WeakPolarHBondContact O-CB 3.16Å; N287-I290 PolarHBondContact O-N 2.9Å; P288-I290 PolarHBondContact O-N 3.21Å | ||
| 291 | R | 89.7 | Confident | 94.4 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.2 | 173.2 | 64.7 | -177 | 178.8 | -179.4 | -1.3 | 111.7 | C282 D289 L350 | C282-R291 CarbonylContact O-C 3.56Å; C282-R291 VanDerWaalsContact O-CA 3.31Å; C282-R291 WeakPolarHBondContact O-CA 3.41Å; D289-R291 PolarHBondContact O-N 3.23Å; D289-R291 VanDerWaalsContact O-N 3.1Å; R291-L350 HydrophobicContact CG-CD1 4.07Å |
| 292 | V | 92.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.5 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | Y281 C282 I294 L353 | Y281-V292 CarbonylContact C-O 3.32Å; Y281-V292 WeakPolarHBondContact CA-O 3.44Å; C282-V292 PolarHBondContact N-O 2.87Å; C282-V292 PolarHBondContact O-N 3.12Å; V292-I294 PolarHBondContact O-N 3.23Å; V292-L353 HydrophobicContact CG1-CB 4.31Å |
| 293 | L | 95.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 110.4 | 165.7 | 177.9 | 63.4 | 0 | 0 | 0 | 107.7 | K279 Y281 C295 L350 P352 L353 | K279-L293 HydrophobicContact CB-CD1 3.93Å; K279-L293 HydrophobicContact CG-CD1 4.35Å; Y281-L293 HydrophobicContact CD1-CB 4.16Å; Y281-L293 HydrophobicContact CD1-CD1 4.11Å; Y281-L293 HydrophobicContact CE1-CB 3.89Å; Y281-L293 HydrophobicContact CE1-CD1 3.68Å; Y281-L293 HydrophobicContact CE1-CG 4.33Å; Y281-L293 HydrophobicContact CE2-CD1 4.44Å; L293-C295 WeakPolarHBondContact CD1-O 3.34Å; L293-L350 HydrophobicContact CB-CB 4.04Å; L293-L350 HydrophobicContact CD2-CB 4.42Å; L293-L350 WeakPolarHBondContact CD2-O 3.5Å; L293-P352 HydrophobicContact CD2-CB 4.06Å; L293-P352 HydrophobicContact CG-CB 4.16Å; L293-P352 CarbonylContact O-C 3.55Å; L293-P352 WeakPolarHBondContact O-CA 3.47Å; L293-L353 PolarHBondContact O-N 2.74Å |
| 294 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -53.7 | 179.7 | -66.8 | 164.2 | 0 | 0 | 0 | 109.4 | Y272 I280 C282 V292 W328 L330 L353 C354 | Y272-I294 HydrophobicContact CD1-CD1 3.72Å; Y272-I294 HydrophobicContact CE1-CD1 4.17Å; I280-I294 HydrophobicContact CB-CB 4.45Å; I280-I294 HydrophobicContact CG2-CB 4.31Å; I280-I294 HydrophobicContact CG2-CD1 4.01Å; I280-I294 WeakPolarHBondContact O-CB 3.35Å; I280-I294 PolarHBondContact O-N 3.32Å; C282-I294 HydrophobicContact CB-CD1 3.96Å; C282-I294 HydrophobicContact CB-CG1 4.4Å; V292-I294 PolarHBondContact O-N 3.23Å; I294-W328 HydrophobicContact CG2-CB 4.43Å; I294-L330 HydrophobicContact CD1-CD2 3.64Å; I294-L330 HydrophobicContact CG1-CD2 3.96Å; I294-L330 HydrophobicContact CG2-CD2 3.88Å; I294-L353 PolarHBondContact O-N 3Å; I294-C354 PolarHBondContact O-N 3.01Å |
| 295 | C | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 170 | 179.5 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | I280 L293 W328 | I280-C295 PolarHBondContact N-O 2.91Å; L293-C295 WeakPolarHBondContact CD1-O 3.34Å; C295-W328 HydrophobicContact CB-CD2 3.9Å; C295-W328 HydrophobicContact CB-CE3 3.6Å; C295-W328 HydrophobicContact CB-CH2 3.82Å; C295-W328 HydrophobicContact CB-CZ2 4.12Å; C295-W328 HydrophobicContact CB-CZ3 3.55Å; C295-W328 VanDerWaalsContact SG-CD2 3.5Å; C295-W328 VanDerWaalsContact SG-CE2 3.55Å |
| 296 | E | 97.9 | Very high | 95.1 | Very high | 115 Ų | 115 | 48.9 Ų | 48.9 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.4 | 164.4 | -173.2 | -179.5 | 163.4 | 0 | 0 | 108.7 | K278 K279 | K278-E296 HydrophobicContact CB-CG 4.34Å; K279-E296 HydrophobicContact CG-CG 4.26Å |
| 297 | E | 98.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | trans | -75.9 | 159.9 | 178.8 | -94.5 | -67.9 | 177.6 | 0 | 0 | 112.8 | K278 I280 A299 V301 V318 T320 N326 W328 | K278-E297 HydrophobicContact CB-CB 4.38Å; K278-E297 WeakPolarHBondContact CB-O 3.25Å; K278-E297 WeakPolarHBondContact CD-O 3.24Å; K278-E297 PolarHBondContact O-N 3.25Å; I280-E297 HydrophobicContact CD1-CG 4.15Å; E297-A299 PolarHBondContact O-N 2.89Å; E297-V301 HydrophobicContact CB-CG2 4.15Å; E297-V301 HydrophobicContact CG-CG2 4.18Å; E297-V318 HydrophobicContact CG-CG1 3.93Å; E297-T320 HydrophobicContact CB-CG2 4.18Å; E297-T320 HydrophobicContact CG-CG2 3.95Å; E297-N326 WeakPolarHBondContact OE1-CB 3.44Å; E297-N326 PolarHBondContact OE1-ND2 2.81Å; E297-N326 PolarHBondContact OE2-ND2 3.2Å; E297-W328 PolarHBondContact OE1-NE1 3.3Å | ||
| 298 | K | 97.6 | Very high | 95.6 | Very high | 174 Ų | 174 | 43.1 Ų | 43.1 | 76% | 0.757 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -75.5 | -8.4 | 179.1 | -63.5 | -176 | -179.1 | 178.6 | 0 | 113.5 | K322 | K298-K322 HydrophobicContact CB-CD 4.21Š|
| 299 | A | 98.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -157.9 | 160.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111 | E297 V301 T321 K322 | E297-A299 PolarHBondContact O-N 2.89Å; A299-V301 PolarHBondContact O-N 3.33Å; A299-T321 WeakPolarHBondContact CB-OG1 3.27Å; A299-K322 HydrophobicContact CB-CB 4.45Å; A299-K322 HydrophobicContact CB-CD 3.94Å; A299-K322 HydrophobicContact CB-CG 3.76Å |
| 300 | P | 98.8 | Very high | 96.2 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 20% | 0.195 | 20% | 0.204 | C | C | . | . | trans | -50.6 | 130.6 | 178.7 | -32.7 | 37.3 | 0 | 0 | 0 | 113.2 | W260 T320 T321 | W260-P300 HydrophobicContact CE3-CB 4.48Å; W260-P300 HydrophobicContact CH2-CB 4.33Å; W260-P300 HydrophobicContact CZ3-CB 3.67Å; P300-T320 VanDerWaalsContact O-CA 3.23Å; P300-T320 WeakPolarHBondContact O-CA 3.45Å; P300-T320 VanDerWaalsContact O-CB 3.28Å; P300-T320 WeakPolarHBondContact O-CB 3.41Å; P300-T321 HydrophobicContact CB-CG2 4.27Å; P300-T321 PolarHBondContact O-N 3.24Å; P300-T321 VanDerWaalsContact O-N 3.15Å | ||
| 301 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.5 | -179.1 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | A261 G275 I280 E297 A299 M304 V318 | A261-V301 HydrophobicContact CB-CG1 4.15Å; G275-V301 PolarHBondContact O-N 3.03Å; I280-V301 HydrophobicContact CD1-CG2 3.95Å; I280-V301 HydrophobicContact CG1-CG2 3.98Å; E297-V301 HydrophobicContact CB-CG2 4.15Å; E297-V301 HydrophobicContact CG-CG2 4.18Å; A299-V301 PolarHBondContact O-N 3.33Å; V301-M304 HydrophobicContact CG1-CG 3.84Å; V301-M304 HydrophobicContact CG1-SD 4.28Å; V301-V318 HydrophobicContact CG1-CG1 3.99Å; V301-V318 HydrophobicContact CG2-CG1 4.12Å |
| 302 | L | 98.9 | Very high | 96.2 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -43 | -179.1 | -62.7 | -177.9 | 0 | 0 | 0 | 112.3 | R50 W260 S319 T320 T321 | R50-L302 VanDerWaalsContact NH2-CD1 3.32Å; W260-L302 HydrophobicContact CE3-CD2 3.92Å; W260-L302 HydrophobicContact CZ3-CD2 4.03Å; L302-S319 PolarHBondContact N-O 3.38Å; L302-T320 WeakPolarHBondContact CD1-O 3.04Å; L302-T321 HydrophobicContact CD1-CG2 4.09Å; L302-T321 HydrophobicContact CD2-CG2 3.97Å; L302-T321 HydrophobicContact CG-CG2 4.18Å |
| 303 | K | 98.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 26% | 0.261 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 158.2 | 178.5 | -152.7 | 90.2 | 176.9 | -154.1 | 0 | 110 | N34 D80 S319 | N34-K303 WeakPolarHBondContact O-CB 3.34Å; D80-K303 IonicContact OD1-NZ 3.82Å; D80-K303 PolarHBondContact OD1-NZ 2.81Å; D80-K303 IonicContact OD2-NZ 2.78Å; K303-S319 WeakPolarHBondContact CB-OG 3.46Å; K303-S319 PolarHBondContact N-O 3.34Å; K303-S319 PolarHBondContact N-OG 3.08Å; K303-S319 PolarHBondContact O-N 3.32Å; K303-S319 PolarHBondContact O-OG 2.69Å |
| 304 | M | 98.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149.7 | 173.7 | -56.9 | -179 | -66.4 | 0 | 0 | 109.2 | A261 Q263 Y272 I280 V301 I316 W317 V318 | A261-M304 HydrophobicContact CB-CE 3.95Å; A261-M304 HydrophobicContact CB-CG 4.1Å; A261-M304 WeakPolarHBondContact O-CE 3.4Å; Q263-M304 HydrophobicContact CG-CB 4.09Å; Q263-M304 VanDerWaalsContact CG-O 3.31Å; Q263-M304 WeakPolarHBondContact CG-O 3.24Å; Q263-M304 PolarHBondContact NE2-O 2.98Å; Y272-M304 WeakPolarHBondContact O-CE 3.42Å; I280-M304 HydrophobicContact CD1-SD 4.19Å; I280-M304 HydrophobicContact CG1-SD 4.49Å; I280-M304 HydrophobicContact CG2-SD 3.8Å; V301-M304 HydrophobicContact CG1-CG 3.84Å; V301-M304 HydrophobicContact CG1-SD 4.28Å; M304-I316 HydrophobicContact CB-CD1 3.83Å; M304-I316 HydrophobicContact CB-CG1 4.08Å; M304-I316 HydrophobicContact CG-CD1 4.32Å; M304-I316 HydrophobicContact SD-CD1 3.83Å; M304-W317 CarbonylContact C-O 3.57Å; M304-W317 WeakPolarHBondContact CA-O 3.47Å; M304-V318 HydrophobicContact CG-CG1 4.47Å; M304-V318 HydrophobicContact CG-CG2 4.24Å |
| 305 | E | 98.8 | Very high | 96.5 | Very high | 26 Ų | 26 | 44 Ų | 44 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 118.5 | 176.4 | -173.2 | 61 | -164.3 | 0 | 0 | 109.6 | L36 L38 Q263 W317 | L36-E305 HydrophobicContact CB-CB 3.84Å; L36-E305 HydrophobicContact CD1-CB 4.38Å; L38-E305 HydrophobicContact CB-CG 3.98Å; Q263-E305 PolarHBondContact NE2-OE2 3.28Å; E305-W317 HydrophobicContact CB-CB 4.44Å; E305-W317 PolarHBondContact N-O 2.8Å; E305-W317 PolarHBondContact O-N 3.27Å |
| 306 | L | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 140.2 | 179.6 | -76.4 | 169.9 | 0 | 0 | 0 | 110.7 | Q263 Y272 R308 P313 I316 L330 | Q263-L306 HydrophobicContact CB-CD1 3.78Å; Q263-L306 HydrophobicContact CB-CG 3.82Å; Q263-L306 HydrophobicContact CG-CG 4.22Å; Y272-L306 HydrophobicContact CD1-CD2 4.32Å; Y272-L306 HydrophobicContact CD2-CD1 3.78Å; Y272-L306 HydrophobicContact CD2-CD2 4.11Å; Y272-L306 HydrophobicContact CD2-CG 4.42Å; Y272-L306 HydrophobicContact CE1-CD2 4.25Å; Y272-L306 HydrophobicContact CE2-CD1 3.76Å; Y272-L306 HydrophobicContact CE2-CD2 4.04Å; Y272-L306 HydrophobicContact CG-CD2 4.25Å; L306-R308 HydrophobicContact CB-CG 4.2Å; L306-R308 PolarHBondContact O-N 2.81Å; L306-P313 HydrophobicContact CD1-CG 4.31Å; L306-P313 HydrophobicContact CD2-CB 3.99Å; L306-P313 HydrophobicContact CD2-CG 4.42Å; L306-I316 HydrophobicContact CD2-CB 3.98Å; L306-I316 HydrophobicContact CD2-CD1 3.83Å; L306-I316 HydrophobicContact CD2-CG1 3.91Å; L306-I316 HydrophobicContact CG-CD1 4.38Å; L306-I316 HydrophobicContact CG-CG1 4.46Å; L306-L330 HydrophobicContact CD2-CD1 3.93Å |
| 307 | D | 97.2 | Very high | 96.6 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | trans | -72.6 | 111 | 161.5 | -168 | -30.7 | 0 | 0 | 0 | 107.5 | L38 S309 P314 A315 K327 | L38-D307 HydrophobicContact CD2-CB 4.46Å; D307-S309 VanDerWaalsContact OD1-CB 3.28Å; D307-S309 WeakPolarHBondContact OD1-CB 3.27Å; D307-S309 PolarHBondContact OD1-N 2.88Å; D307-S309 PolarHBondContact OD1-OG 2.91Å; D307-P314 HydrophobicContact CB-CG 4.15Å; D307-P314 WeakPolarHBondContact O-CD 3.28Å; D307-A315 HydrophobicContact CB-CB 4.11Å; D307-A315 WeakPolarHBondContact CB-O 3.24Å; D307-A315 PolarHBondContact N-O 2.78Å; D307-K327 IonicContact OD2-NZ 2.83Å; D307-K327 PolarHBondContact OD2-NZ 2.88Å | ||
| 308 | R | 95.2 | Very high | 96.6 | Very high | 97 Ų | 97 | 38.2 Ų | 38.2 | 37% | 0.366 | 21% | 0.208 | S | C | . | . | trans | -99 | 21.8 | -175.6 | -63.1 | -178.7 | -178.9 | -86.4 | -10.4 | 112.9 | V264 E266 L306 A310 | V264-R308 PolarHBondContact O-NH1 3.27Å; V264-R308 PolarHBondContact O-NH2 3.04Å; E266-R308 IonicContact OE1-CZ 3.91Å; E266-R308 IonicContact OE1-NH1 3.36Å; E266-R308 PolarHBondContact OE1-NH1 2.92Å; L306-R308 HydrophobicContact CB-CG 4.2Å; L306-R308 PolarHBondContact O-N 2.81Å; R308-A310 VanDerWaalsContact C-N 3.3Å; R308-A310 PolarHBondContact O-N 3.15Å | ||
| 309 | S | 93.4 | Very high | 96.7 | Very high | 86 Ų | 86 | 29.9 Ų | 29.9 | 60% | 0.601 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -72.9 | -17.8 | -179.6 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | D307 | D307-S309 VanDerWaalsContact OD1-CB 3.28Å; D307-S309 WeakPolarHBondContact OD1-CB 3.27Å; D307-S309 PolarHBondContact OD1-N 2.88Å; D307-S309 PolarHBondContact OD1-OG 2.91Å |
| 310 | A | 92.5 | Very high | 96.7 | Very high | 54 Ų | 54 | 29.7 Ų | 29.7 | 45% | 0.446 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -145.8 | 163.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R308 P312 P313 | R308-A310 VanDerWaalsContact C-N 3.3Å; R308-A310 PolarHBondContact O-N 3.15Å; A310-P312 CarbonylContact C-O 3.58Å; A310-P312 CarbonylContact O-C 3.2Å; A310-P312 VanDerWaalsContact O-C 3.31Å; A310-P313 WeakPolarHBondContact O-CA 3.14Å |
| 311 | D | 87.6 | Confident | 96.7 | Very high | 116 Ų | 116 | 30.6 Ų | 30.6 | 62% | 0.62 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -121.1 | 117.1 | 169.9 | -170.7 | 23.9 | 0 | 0 | 0 | 108.9 | ||
| 312 | P | 90.4 | Very high | 96.7 | Very high | 71 Ų | 71 | 35.4 Ų | 35.4 | 46% | 0.461 | 20% | 0.196 | S | C | . | . | S | Bend | cis | -65.8 | 155.8 | 1.7 | 32.5 | -40.5 | 0 | 0 | 0 | 113.6 | A310 | A310-P312 CarbonylContact C-O 3.58Å; A310-P312 CarbonylContact O-C 3.2Å; A310-P312 VanDerWaalsContact O-C 3.31Å |
| 313 | P | 95.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | trans | -54.5 | 127.3 | 175.8 | -26.3 | 34.5 | 0 | 0 | 0 | 111.7 | N265 L306 A310 A315 L330 | N265-P313 HydrophobicContact CB-CG 4.39Å; L306-P313 HydrophobicContact CD1-CG 4.31Å; L306-P313 HydrophobicContact CD2-CB 3.99Å; L306-P313 HydrophobicContact CD2-CG 4.42Å; A310-P313 WeakPolarHBondContact O-CA 3.14Å; P313-A315 PolarHBondContact O-N 3.15Å; P313-L330 HydrophobicContact CB-CD1 4.22Å; P313-L330 WeakPolarHBondContact O-CB 3.45Å | ||
| 314 | P | 95.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | trans | -76.5 | -22.9 | -174.8 | 27.8 | -35.2 | 0 | 0 | 0 | 113.7 | D307 L330 | D307-P314 HydrophobicContact CB-CG 4.15Å; D307-P314 WeakPolarHBondContact O-CD 3.28Å; P314-L330 PolarHBondContact O-N 3.39Å | ||
| 315 | A | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 166.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D307 P313 K327 W328 | D307-A315 HydrophobicContact CB-CB 4.11Å; D307-A315 WeakPolarHBondContact CB-O 3.24Å; D307-A315 PolarHBondContact N-O 2.78Å; P313-A315 PolarHBondContact O-N 3.15Å; A315-K327 HydrophobicContact CB-CD 4.18Å; A315-K327 HydrophobicContact CB-CG 3.96Å; A315-W328 CarbonylContact C-O 3.5Å; A315-W328 WeakPolarHBondContact CA-O 3.48Å; A315-W328 WeakPolarHBondContact CB-O 3.46Å |
| 316 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.7 | 174.3 | -166.8 | 167.1 | 0 | 0 | 0 | 110.7 | Y272 M304 L306 V318 K327 W328 L330 | Y272-I316 HydrophobicContact CD1-CD1 4.33Å; Y272-I316 HydrophobicContact CG-CD1 4.34Å; M304-I316 HydrophobicContact CB-CD1 3.83Å; M304-I316 HydrophobicContact CB-CG1 4.08Å; M304-I316 HydrophobicContact CG-CD1 4.32Å; M304-I316 HydrophobicContact SD-CD1 3.83Å; L306-I316 HydrophobicContact CD2-CB 3.98Å; L306-I316 HydrophobicContact CD2-CD1 3.83Å; L306-I316 HydrophobicContact CD2-CG1 3.91Å; L306-I316 HydrophobicContact CG-CD1 4.38Å; L306-I316 HydrophobicContact CG-CG1 4.46Å; I316-V318 HydrophobicContact CG2-CG2 4.26Å; I316-K327 WeakPolarHBondContact O-CA 3.4Å; I316-W328 HydrophobicContact CG2-CB 3.98Å; I316-W328 PolarHBondContact N-O 3.31Å; I316-W328 PolarHBondContact O-N 3.27Å; I316-L330 HydrophobicContact CB-CD1 4.24Å; I316-L330 HydrophobicContact CG2-CD2 4.14Å; I316-L330 HydrophobicContact CG2-CG 4.43Å |
| 317 | W | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137.8 | 169.6 | -73.7 | 96.6 | 0 | 0 | 0 | 110 | L36 L45 V59 M304 E305 V325 N326 K327 Q359 I361 | L36-W317 HydrophobicContact CD1-CB 3.95Å; L45-W317 HydrophobicContact CD1-CB 4.46Å; L45-W317 HydrophobicContact CD1-CD2 4.38Å; L45-W317 HydrophobicContact CD1-CG 4.17Å; L45-W317 HydrophobicContact CD2-CD2 3.83Å; L45-W317 HydrophobicContact CD2-CE3 3.65Å; L45-W317 HydrophobicContact CD2-CG 4.38Å; L45-W317 HydrophobicContact CD2-CH2 4.35Å; L45-W317 HydrophobicContact CD2-CZ3 3.92Å; V59-W317 HydrophobicContact CB-CZ2 3.83Å; V59-W317 HydrophobicContact CG1-CH2 4.18Å; V59-W317 HydrophobicContact CG1-CZ2 3.44Å; V59-W317 VanDerWaalsContact CG1-CZ2 3.44Å; M304-W317 CarbonylContact C-O 3.57Å; M304-W317 WeakPolarHBondContact CA-O 3.47Å; E305-W317 HydrophobicContact CB-CB 4.44Å; E305-W317 PolarHBondContact N-O 2.8Å; E305-W317 PolarHBondContact O-N 3.27Å; W317-V325 HydrophobicContact CE3-CG1 4Å; W317-V325 HydrophobicContact CZ3-CG1 4.46Å; W317-N326 CarbonylContact C-O 3.59Å; W317-N326 WeakPolarHBondContact CA-O 3.4Å; W317-K327 HydrophobicContact CD2-CB 3.83Å; W317-K327 HydrophobicContact CD2-CD 4.44Å; W317-K327 HydrophobicContact CD2-CG 4.12Å; W317-K327 HydrophobicContact CE3-CB 3.77Å; W317-K327 HydrophobicContact CH2-CB 3.9Å; W317-K327 HydrophobicContact CH2-CD 4.4Å; W317-K327 HydrophobicContact CZ2-CB 3.93Å; W317-K327 HydrophobicContact CZ2-CD 3.68Å; W317-K327 HydrophobicContact CZ2-CG 4.16Å; W317-K327 HydrophobicContact CZ3-CB 3.82Å; W317-Q359 HydrophobicContact CH2-CB 4.38Å; W317-Q359 HydrophobicContact CH2-CG 4.16Å; W317-I361 HydrophobicContact CH2-CD1 3.95Å; W317-I361 HydrophobicContact CH2-CG1 4.26Å; W317-I361 HydrophobicContact CZ3-CD1 3.65Å; W317-I361 HydrophobicContact CZ3-CG1 4.02Å |
| 318 | V | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.2 | -173.2 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | I280 E297 V301 M304 I316 T320 V325 N326 | I280-V318 HydrophobicContact CD1-CB 4.28Å; I280-V318 HydrophobicContact CD1-CG1 3.71Å; I280-V318 HydrophobicContact CD1-CG2 3.6Å; E297-V318 HydrophobicContact CG-CG1 3.93Å; V301-V318 HydrophobicContact CG1-CG1 3.99Å; V301-V318 HydrophobicContact CG2-CG1 4.12Å; M304-V318 HydrophobicContact CG-CG1 4.47Å; M304-V318 HydrophobicContact CG-CG2 4.24Å; I316-V318 HydrophobicContact CG2-CG2 4.26Å; V318-T320 HydrophobicContact CG1-CG2 4.24Å; V318-V325 WeakPolarHBondContact O-CG1 3.15Å; V318-N326 PolarHBondContact N-O 3.43Å; V318-N326 PolarHBondContact O-N 2.87Å |
| 319 | S | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.8 | 171.2 | 76.7 | 0 | 0 | 0 | 0 | 111.1 | V33 L302 K303 | V33-S319 WeakPolarHBondContact O-CB 3.29Å; V33-S319 PolarHBondContact O-OG 2.96Å; L302-S319 PolarHBondContact N-O 3.38Å; K303-S319 WeakPolarHBondContact CB-OG 3.46Å; K303-S319 PolarHBondContact N-O 3.34Å; K303-S319 PolarHBondContact N-OG 3.08Å; K303-S319 PolarHBondContact O-N 3.32Å; K303-S319 PolarHBondContact O-OG 2.69Å |
| 320 | T | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | -176.8 | -176.7 | 71.7 | 0 | 0 | 0 | 0 | 110.7 | V33 E297 P300 L302 V318 K322 | V33-T320 PolarHBondContact N-O 3.08Å; V33-T320 VanDerWaalsContact N-O 3.15Å; E297-T320 HydrophobicContact CB-CG2 4.18Å; E297-T320 HydrophobicContact CG-CG2 3.95Å; P300-T320 VanDerWaalsContact O-CA 3.23Å; P300-T320 WeakPolarHBondContact O-CA 3.45Å; P300-T320 VanDerWaalsContact O-CB 3.28Å; P300-T320 WeakPolarHBondContact O-CB 3.41Å; L302-T320 WeakPolarHBondContact CD1-O 3.04Å; V318-T320 HydrophobicContact CG1-CG2 4.24Å; T320-K322 PolarHBondContact O-N 3.49Å; T320-K322 PolarHBondContact OG1-N 3.27Å; T320-K322 VanDerWaalsContact OG1-N 3.08Å |
| 321 | T | 98.7 | Very high | 96.6 | Very high | 49 Ų | 49 | 30.3 Ų | 30.3 | 30% | 0.301 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -66.9 | -12.5 | 168.9 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | G32 A299 P300 L302 | G32-T321 WeakPolarHBondContact CA-O 3.4Å; A299-T321 WeakPolarHBondContact CB-OG1 3.27Å; P300-T321 HydrophobicContact CB-CG2 4.27Å; P300-T321 PolarHBondContact O-N 3.24Å; P300-T321 VanDerWaalsContact O-N 3.15Å; L302-T321 HydrophobicContact CD1-CG2 4.09Å; L302-T321 HydrophobicContact CD2-CG2 3.97Å; L302-T321 HydrophobicContact CG-CG2 4.18Å |
| 322 | K | 98.7 | Very high | 96.2 | Very high | 101 Ų | 101 | 26.4 Ų | 26.4 | 44% | 0.439 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -82.7 | 156.6 | 168.1 | -71.6 | 177.1 | 177.9 | -70.5 | 0 | 110.9 | G32 K298 A299 T320 S324 | G32-K322 WeakPolarHBondContact CA-O 3.12Å; K298-K322 HydrophobicContact CB-CD 4.21Å; A299-K322 HydrophobicContact CB-CB 4.45Å; A299-K322 HydrophobicContact CB-CD 3.94Å; A299-K322 HydrophobicContact CB-CG 3.76Å; T320-K322 PolarHBondContact O-N 3.49Å; T320-K322 PolarHBondContact OG1-N 3.27Å; T320-K322 VanDerWaalsContact OG1-N 3.08Å; K322-S324 VanDerWaalsContact C-N 3.35Å |
| 323 | S | 98.6 | Very high | 95.6 | Very high | 17 Ų | 17 | 23.9 Ų | 23.9 | 12% | 0.119 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -73.6 | -20.7 | -179.7 | 48 | 0 | 0 | 0 | 0 | 115 | N29 N31 G363 G364 | N29-S323 PolarHBondContact ND2-O 3.19Å; N29-S323 WeakPolarHBondContact O-CB 3.37Å; N31-S323 WeakPolarHBondContact O-CA 3.34Å; S323-G363 WeakPolarHBondContact OG-CA 3.48Å; S323-G364 WeakPolarHBondContact CB-O 3.39Å; S323-G364 PolarHBondContact OG-O 3.06Å |
| 324 | S | 98.5 | Very high | 94.3 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | trans | -74.8 | 146.1 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | K322 I361 | K322-S324 VanDerWaalsContact C-N 3.35Å; S324-I361 WeakPolarHBondContact CA-O 3.44Å | ||
| 325 | V | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.4 | 177 | -177 | 0 | 0 | 0 | 0 | 109 | V33 L36 L45 T47 W317 V318 I361 | V33-V325 HydrophobicContact CB-CG2 4.15Å; V33-V325 HydrophobicContact CG1-CG2 4.3Å; V33-V325 HydrophobicContact CG2-CG2 3.8Å; L36-V325 HydrophobicContact CD1-CG1 4.32Å; L36-V325 HydrophobicContact CD2-CG1 3.99Å; L45-V325 HydrophobicContact CD2-CG1 4.19Å; T47-V325 HydrophobicContact CG2-CG2 3.99Å; W317-V325 HydrophobicContact CE3-CG1 4Å; W317-V325 HydrophobicContact CZ3-CG1 4.46Å; V318-V325 WeakPolarHBondContact O-CG1 3.15Å; V325-I361 HydrophobicContact CB-CB 4.22Å; V325-I361 HydrophobicContact CB-CD1 4.48Å; V325-I361 PolarHBondContact N-O 3.17Å; V325-I361 VanDerWaalsContact N-O 3.08Å; V325-I361 PolarHBondContact O-N 3.08Å |
| 326 | N | 98.7 | Very high | 90.6 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.6 | -172 | -64.4 | -30.4 | 0 | 0 | 0 | 111.1 | E297 W317 V318 P357 | E297-N326 WeakPolarHBondContact OE1-CB 3.44Å; E297-N326 PolarHBondContact OE1-ND2 2.81Å; E297-N326 PolarHBondContact OE2-ND2 3.2Å; W317-N326 CarbonylContact C-O 3.59Å; W317-N326 WeakPolarHBondContact CA-O 3.4Å; V318-N326 PolarHBondContact N-O 3.43Å; V318-N326 PolarHBondContact O-N 2.87Å; N326-P357 HydrophobicContact CB-CB 3.98Å |
| 327 | K | 98.5 | Very high | 88.6 | Confident | 15 Ų | 15 | 41 Ų | 41 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.3 | 165.7 | -172.3 | 177.2 | -179 | 164.2 | 0 | 108.5 | D307 A315 I316 W317 P357 E358 Q359 | D307-K327 IonicContact OD2-NZ 2.83Å; D307-K327 PolarHBondContact OD2-NZ 2.88Å; A315-K327 HydrophobicContact CB-CD 4.18Å; A315-K327 HydrophobicContact CB-CG 3.96Å; I316-K327 WeakPolarHBondContact O-CA 3.4Å; W317-K327 HydrophobicContact CD2-CB 3.83Å; W317-K327 HydrophobicContact CD2-CD 4.44Å; W317-K327 HydrophobicContact CD2-CG 4.12Å; W317-K327 HydrophobicContact CE3-CB 3.77Å; W317-K327 HydrophobicContact CH2-CB 3.9Å; W317-K327 HydrophobicContact CH2-CD 4.4Å; W317-K327 HydrophobicContact CZ2-CB 3.93Å; W317-K327 HydrophobicContact CZ2-CD 3.68Å; W317-K327 HydrophobicContact CZ2-CG 4.16Å; W317-K327 HydrophobicContact CZ3-CB 3.82Å; K327-P357 CarbonylContact O-C 3.57Å; K327-P357 WeakPolarHBondContact O-CA 3.36Å; K327-P357 WeakPolarHBondContact O-CB 3.26Å; K327-E358 PolarHBondContact O-N 3.08Å; K327-Q359 HydrophobicContact CB-CB 3.89Å; K327-Q359 HydrophobicContact CD-CB 4.47Å; K327-Q359 PolarHBondContact N-O 2.81Å; K327-Q359 PolarHBondContact O-N 3.28Å |
| 328 | W | 98.3 | Very high | 86.2 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.038 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.9 | 177.4 | -63.3 | 92 | 0 | 0 | 0 | 110 | I294 C295 E297 A315 I316 C354 P357 | I294-W328 HydrophobicContact CG2-CB 4.43Å; C295-W328 HydrophobicContact CB-CD2 3.9Å; C295-W328 HydrophobicContact CB-CE3 3.6Å; C295-W328 HydrophobicContact CB-CH2 3.82Å; C295-W328 HydrophobicContact CB-CZ2 4.12Å; C295-W328 HydrophobicContact CB-CZ3 3.55Å; C295-W328 VanDerWaalsContact SG-CD2 3.5Å; C295-W328 VanDerWaalsContact SG-CE2 3.55Å; E297-W328 PolarHBondContact OE1-NE1 3.3Å; A315-W328 CarbonylContact C-O 3.5Å; A315-W328 WeakPolarHBondContact CA-O 3.48Å; A315-W328 WeakPolarHBondContact CB-O 3.46Å; I316-W328 HydrophobicContact CG2-CB 3.98Å; I316-W328 PolarHBondContact N-O 3.31Å; I316-W328 PolarHBondContact O-N 3.27Å; W328-C354 HydrophobicContact CE3-CB 3.57Å; W328-C354 HydrophobicContact CZ3-CB 3.88Å; W328-P357 HydrophobicContact CD2-CB 4.29Å; W328-P357 HydrophobicContact CE3-CB 4.42Å; W328-P357 HydrophobicContact CZ2-CB 4.36Å |
| 329 | S | 96.5 | Very high | 83.8 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 141.7 | 178.7 | -143.1 | 0 | 0 | 0 | 0 | 110.5 | C354 E358 | S329-C354 PolarHBondContact O-SG 3.23Å; S329-E358 WeakPolarHBondContact CA-OE2 3.28Å; S329-E358 WeakPolarHBondContact CB-OE2 3.38Å; S329-E358 PolarHBondContact OG-OE2 2.99Å |
| 330 | L | 95.3 | Very high | 81.3 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | trans | -109.7 | 5.9 | 174.1 | -61.5 | 178.5 | 0 | 0 | 0 | 111.8 | Y272 I294 L306 P313 P314 I316 M333 | Y272-L330 HydrophobicContact CD1-CD1 4.47Å; Y272-L330 HydrophobicContact CE1-CD1 3.7Å; Y272-L330 HydrophobicContact CE1-CD2 4.34Å; I294-L330 HydrophobicContact CD1-CD2 3.64Å; I294-L330 HydrophobicContact CG1-CD2 3.96Å; I294-L330 HydrophobicContact CG2-CD2 3.88Å; L306-L330 HydrophobicContact CD2-CD1 3.93Å; P313-L330 HydrophobicContact CB-CD1 4.22Å; P313-L330 WeakPolarHBondContact O-CB 3.45Å; P314-L330 PolarHBondContact O-N 3.39Å; I316-L330 HydrophobicContact CB-CD1 4.24Å; I316-L330 HydrophobicContact CG2-CD2 4.14Å; I316-L330 HydrophobicContact CG2-CG 4.43Å; L330-M333 HydrophobicContact CB-SD 3.84Å; L330-M333 HydrophobicContact CD2-SD 3.98Å; L330-M333 HydrophobicContact CG-SD 4.34Å; L330-M333 WeakPolarHBondContact O-CG 3.43Å; L330-M333 PolarHBondContact O-N 3.34Å | ||
| 331 | K | 87.9 | Confident | 78.7 | Confident | 144 Ų | 144 | 59.4 Ų | 59.4 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 137.6 | 174.7 | -65.2 | 178 | -178 | 170.3 | 0 | 109.8 | ||
| 332 | G | 77.5 | Confident | 76.3 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -1.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H334 N335 | G332-H334 PolarHBondContact O-N 2.83Å; G332-H334 VanDerWaalsContact O-N 3.12Å; G332-N335 WeakPolarHBondContact O-CB 3.4Å; G332-N335 PolarHBondContact O-N 3.45Å |
| 333 | M | 78.1 | Confident | 73.7 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.3 | 174.7 | -83.2 | 177.4 | 60.7 | 0 | 0 | 113.8 | Y272 C282 L330 L353 | Y272-M333 HydrophobicContact CE1-CE 4.4Å; Y272-M333 HydrophobicContact CE1-SD 4.43Å; C282-M333 HydrophobicContact CB-CE 3.73Å; C282-M333 WeakPolarHBondContact SG-CE 3.46Å; L330-M333 HydrophobicContact CB-SD 3.84Å; L330-M333 HydrophobicContact CD2-SD 3.98Å; L330-M333 HydrophobicContact CG-SD 4.34Å; L330-M333 WeakPolarHBondContact O-CG 3.43Å; L330-M333 PolarHBondContact O-N 3.34Å; M333-L353 HydrophobicContact CG-CD2 3.68Å |
| 334 | H | 69.2 | Low | 71 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -28.2 | 177.3 | -67.6 | -73.3 | 0 | 0 | 0 | 113.5 | G332 R337 S338 | G332-H334 PolarHBondContact O-N 2.83Å; G332-H334 VanDerWaalsContact O-N 3.12Å; H334-R337 WeakPolarHBondContact O-CB 3.34Å; H334-R337 PolarHBondContact O-N 3.12Å; H334-S338 PolarHBondContact O-OG 2.77Å |
| 335 | N | 60.1 | Low | 68.4 | Low | 123 Ų | 123 | 75.9 Ų | 75.9 | 66% | 0.658 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -73 | -33.7 | -178.5 | -64.6 | -8.4 | 0 | 0 | 0 | 111.2 | G332 R337 S338 S339 | G332-N335 WeakPolarHBondContact O-CB 3.4Å; G332-N335 PolarHBondContact O-N 3.45Å; N335-R337 PolarHBondContact O-N 2.81Å; N335-S338 PolarHBondContact O-N 3.48Å; N335-S339 PolarHBondContact O-N 3.48Å |
| 336 | F | 54.5 | Low | 66 | Low | 91 Ų | 91 | 81.4 Ų | 81.4 | 40% | 0.399 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.8 | -19.2 | 175 | -130 | -88.2 | 0 | 0 | 0 | 113 | ||
| 337 | R | 56.2 | Low | 63.5 | Low | 79 Ų | 79 | 86 Ų | 86 | 30% | 0.298 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -82.4 | -23.8 | 175.1 | -66.7 | 180 | 168.5 | -159.1 | -16.2 | 113.2 | H270 H334 N335 | H270-R337 PolarHBondContact CD2-NH2 3.03Å; H270-R337 VanDerWaalsContact NE2-CZ 3.29Å; H270-R337 PolarHBondContact NE2-NH1 2.71Å; H270-R337 PolarHBondContact NE2-NH2 3.21Å; H334-R337 WeakPolarHBondContact O-CB 3.34Å; H334-R337 PolarHBondContact O-N 3.12Å; N335-R337 PolarHBondContact O-N 2.81Å |
| 338 | S | 49.4 | Very low | 61.3 | Low | 103 Ų | 103 | 88.5 Ų | 88.5 | 72% | 0.72 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -94.9 | -15.3 | -174 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | H334 N335 G340 | H334-S338 PolarHBondContact O-OG 2.77Å; N335-S338 PolarHBondContact O-N 3.48Å; S338-G340 PolarHBondContact O-N 2.82Å |
| 339 | S | 48.9 | Very low | 59.5 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -74.9 | -2.3 | -176.4 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | N335 E341 | N335-S339 PolarHBondContact O-N 3.48Å; S339-E341 PolarHBondContact O-N 2.88Å |
| 340 | G | 46 | Very low | 58.6 | Low | 49 Ų | 49 | 95.6 Ų | 95.6 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | trans | 65.6 | 7.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S338 Y342 | S338-G340 PolarHBondContact O-N 2.82Å; G340-Y342 PolarHBondContact O-N 3.32Å | ||
| 341 | E | 44.1 | Very low | 58.1 | Low | 163 Ų | 163 | 99.9 Ų | 99.9 | 76% | 0.762 | 55% | 0.553 | S | S | * | * | trans | -74.6 | 71.3 | 166.6 | -70.5 | -179.3 | 178.5 | 0 | 0 | 108.4 | S339 D343 | S339-E341 PolarHBondContact O-N 2.88Å; E341-D343 PolarHBondContact O-N 3.11Å | ||
| 342 | Y | 48.5 | Very low | 58.4 | Low | 186 Ų | 186 | 95.1 Ų | 95.1 | 73% | 0.729 | 54% | 0.537 | S | S | * | . | trans | -69.4 | 70.5 | 159.2 | -66.7 | -81.2 | 0 | 0 | 0 | 107.3 | G340 N344 | G340-Y342 PolarHBondContact O-N 3.32Å; Y342-N344 PolarHBondContact O-N 3.27Å | ||
| 343 | D | 43.8 | Very low | 59.1 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | trans | -68 | 94 | 169.4 | -108.9 | 0.6 | 0 | 0 | 0 | 106.8 | E341 D345 T348 | E341-D343 PolarHBondContact O-N 3.11Å; D343-D345 PolarHBondContact O-N 3.37Å; D343-D345 VanDerWaalsContact O-N 3.12Å; D343-T348 WeakPolarHBondContact OD2-CG2 3.18Å; D343-T348 PolarHBondContact OD2-OG1 3.33Å | ||
| 344 | N | 42.9 | Very low | 59.8 | Low | 165 Ų | 165 | 95.6 Ų | 95.6 | 88% | 0.882 | 53% | 0.533 | S | S | * | . | trans | -62.7 | -4.1 | 167.5 | -92.8 | -22.2 | 0 | 0 | 0 | 112.1 | Y342 | Y342-N344 PolarHBondContact O-N 3.27Š| ||
| 345 | D | 42.8 | Very low | 61 | Low | 96 Ų | 96 | 96.3 Ų | 96.3 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | trans | -93.5 | 105.2 | -179.8 | -134.1 | -31.9 | 0 | 0 | 0 | 109.6 | D343 T347 T348 | D343-D345 PolarHBondContact O-N 3.37Å; D343-D345 VanDerWaalsContact O-N 3.12Å; D345-T347 PolarHBondContact O-N 3.45Å; D345-T347 PolarHBondContact OD1-OG1 2.68Å; D345-T348 PolarHBondContact O-N 2.92Å | ||
| 346 | C | 47.9 | Very low | 62.7 | Low | 117 Ų | 117 | 97.7 Ų | 97.7 | 79% | 0.791 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 11.2 | 173.1 | -94.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 347 | T | 46.2 | Very low | 64.8 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -16.6 | -172.7 | 59 | 0 | 0 | 0 | 0 | 113.5 | D345 | D345-T347 PolarHBondContact O-N 3.45Å; D345-T347 PolarHBondContact OD1-OG1 2.68Å |
| 348 | T | 52.4 | Low | 66.7 | Low | 67 Ų | 67 | 94.8 Ų | 94.8 | 41% | 0.411 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -83.7 | 124.8 | 175.5 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | D343 D345 L350 | D343-T348 WeakPolarHBondContact OD2-CG2 3.18Å; D343-T348 PolarHBondContact OD2-OG1 3.33Å; D345-T348 PolarHBondContact O-N 2.92Å; T348-L350 PolarHBondContact O-N 2.9Å |
| 349 | P | 61.3 | Low | 68.9 | Low | 119 Ų | 119 | 91 Ų | 91 | 77% | 0.773 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 120.7 | 179.3 | 23.4 | -29.2 | 0 | 0 | 0 | 110.3 | T351 | P349-T351 PolarHBondContact O-N 3.08Š|
| 350 | L | 77.2 | Confident | 71.2 | Confident | 63 Ų | 63 | 91 Ų | 91 | 33% | 0.33 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 127.9 | 176.4 | -70.6 | 169.6 | 0 | 0 | 0 | 110.3 | Y281 R291 L293 T348 | Y281-L350 HydrophobicContact CE1-CD1 4.11Å; R291-L350 HydrophobicContact CG-CD1 4.07Å; L293-L350 HydrophobicContact CB-CB 4.04Å; L293-L350 HydrophobicContact CD2-CB 4.42Å; L293-L350 WeakPolarHBondContact CD2-O 3.5Å; T348-L350 PolarHBondContact O-N 2.9Å |
| 351 | T | 86 | Confident | 73.7 | Confident | 97 Ų | 97 | 88.7 Ų | 88.7 | 60% | 0.595 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 131 | 173.9 | -59 | 0 | 0 | 0 | 0 | 109.4 | P349 | P349-T351 PolarHBondContact O-N 3.08Š|
| 352 | P | 92.4 | Very high | 76.3 | Confident | 44 Ų | 44 | 87.7 Ų | 87.7 | 29% | 0.286 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 141 | -179.6 | 27.9 | -34.8 | 0 | 0 | 0 | 111.7 | L293 C354 T355 | L293-P352 HydrophobicContact CD2-CB 4.06Å; L293-P352 HydrophobicContact CG-CB 4.16Å; L293-P352 CarbonylContact O-C 3.55Å; L293-P352 WeakPolarHBondContact O-CA 3.47Å; P352-C354 VanDerWaalsContact C-N 3.28Å; P352-C354 PolarHBondContact O-N 3.31Å; P352-T355 HydrophobicContact CG-CG2 4.26Å |
| 353 | L | 92.6 | Very high | 78.6 | Confident | 40 Ų | 40 | 80.2 Ų | 80.2 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -60 | -39.9 | 174.1 | 179.5 | 66.5 | 0 | 0 | 0 | 111.7 | V292 L293 I294 M333 | V292-L353 HydrophobicContact CG1-CB 4.31Å; L293-L353 PolarHBondContact O-N 2.74Å; I294-L353 PolarHBondContact O-N 3Å; M333-L353 HydrophobicContact CG-CD2 3.68Å |
| 354 | C | 94.3 | Very high | 81.2 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 14% | 0.142 | 44% | 0.441 | C | S | . | . | trans | -127.1 | 130.3 | -179.4 | -68.2 | 0 | 0 | 0 | 0 | 110.7 | I294 W328 S329 P352 | I294-C354 PolarHBondContact O-N 3.01Å; W328-C354 HydrophobicContact CE3-CB 3.57Å; W328-C354 HydrophobicContact CZ3-CB 3.88Å; S329-C354 PolarHBondContact O-SG 3.23Å; P352-C354 VanDerWaalsContact C-N 3.28Å; P352-C354 PolarHBondContact O-N 3.31Å | ||
| 355 | T | 94.3 | Very high | 83.8 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 74% | 0.742 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -98.5 | -17.7 | 172.9 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | P352 | P352-T355 HydrophobicContact CG-CG2 4.26Š|
| 356 | Q | 95.8 | Very high | 86.5 | Confident | 152 Ų | 152 | 65 Ų | 65 | 71% | 0.71 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -136.5 | 147.5 | 176.4 | -63.5 | -173.1 | 5.8 | 0 | 0 | 110.9 | ||
| 357 | P | 97.2 | Very high | 88.9 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | trans | -71 | 146.2 | 177.2 | 29.7 | -35.5 | 0 | 0 | 0 | 111.7 | N326 K327 W328 Q359 V360 | N326-P357 HydrophobicContact CB-CB 3.98Å; K327-P357 CarbonylContact O-C 3.57Å; K327-P357 WeakPolarHBondContact O-CA 3.36Å; K327-P357 WeakPolarHBondContact O-CB 3.26Å; W328-P357 HydrophobicContact CD2-CB 4.29Å; W328-P357 HydrophobicContact CE3-CB 4.42Å; W328-P357 HydrophobicContact CZ2-CB 4.36Å; P357-Q359 VanDerWaalsContact C-N 3.35Å; P357-V360 HydrophobicContact CB-CG2 4.03Å; P357-V360 HydrophobicContact CG-CG2 3.34Å | ||
| 358 | E | 95.9 | Very high | 91.4 | Very high | 67 Ų | 67 | 59 Ų | 59 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -68.6 | -34.5 | 174.9 | -177.2 | 177.8 | 167 | 0 | 0 | 111.5 | Q61 K327 S329 | Q61-E358 PolarHBondContact NE2-OE1 2.91Å; K327-E358 PolarHBondContact O-N 3.08Å; S329-E358 WeakPolarHBondContact CA-OE2 3.28Å; S329-E358 WeakPolarHBondContact CB-OE2 3.38Å; S329-E358 PolarHBondContact OG-OE2 2.99Å |
| 359 | Q | 96.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 60 Ų | 60 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144.4 | 176.6 | -171.6 | 179.3 | -10.1 | 0 | 0 | 110.4 | V59 W317 K327 P357 | V59-Q359 PolarHBondContact O-OE1 2.95Å; W317-Q359 HydrophobicContact CH2-CB 4.38Å; W317-Q359 HydrophobicContact CH2-CG 4.16Å; K327-Q359 HydrophobicContact CB-CB 3.89Å; K327-Q359 HydrophobicContact CD-CB 4.47Å; K327-Q359 PolarHBondContact N-O 2.81Å; K327-Q359 PolarHBondContact O-N 3.28Å; P357-Q359 VanDerWaalsContact C-N 3.35Å |
| 360 | V | 97.6 | Very high | 95.4 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.3 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | P357 | P357-V360 HydrophobicContact CB-CG2 4.03Å; P357-V360 HydrophobicContact CG-CG2 3.34Å |
| 361 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.7 | 163 | -64.5 | 168.5 | 0 | 0 | 0 | 107.3 | L45 W57 W317 S324 V325 | L45-I361 HydrophobicContact CD2-CD1 3.58Å; W57-I361 HydrophobicContact CB-CD1 3.91Å; W57-I361 HydrophobicContact CD2-CD1 4.13Å; W57-I361 HydrophobicContact CD2-CG2 3.7Å; W57-I361 HydrophobicContact CE3-CG2 3.66Å; W57-I361 HydrophobicContact CG-CD1 3.76Å; W57-I361 HydrophobicContact CG-CG2 4.45Å; W57-I361 HydrophobicContact CH2-CG2 3.72Å; W57-I361 HydrophobicContact CZ2-CG2 3.74Å; W57-I361 HydrophobicContact CZ3-CG2 3.68Å; W317-I361 HydrophobicContact CH2-CD1 3.95Å; W317-I361 HydrophobicContact CH2-CG1 4.26Å; W317-I361 HydrophobicContact CZ3-CD1 3.65Å; W317-I361 HydrophobicContact CZ3-CG1 4.02Å; S324-I361 WeakPolarHBondContact CA-O 3.44Å; V325-I361 HydrophobicContact CB-CB 4.22Å; V325-I361 HydrophobicContact CB-CD1 4.48Å; V325-I361 PolarHBondContact N-O 3.17Å; V325-I361 VanDerWaalsContact N-O 3.08Å; V325-I361 PolarHBondContact O-N 3.08Å |
| 362 | K | 98.1 | Very high | 97 | Very high | 142 Ų | 142 | 54 Ų | 54 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | trans | -63.9 | 144.4 | -178.6 | -64.2 | -178.6 | -178.3 | 176.9 | 0 | 110.9 | Y28 | Y28-K362 HydrophobicContact CD1-CB 4.03Å; Y28-K362 VanDerWaalsContact CD1-O 3.26Å; Y28-K362 WeakPolarHBondContact CD1-O 3.36Å; Y28-K362 HydrophobicContact CE1-CB 3.9Å | ||
| 363 | G | 97.7 | Very high | 97.3 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | trans | -108.3 | 151.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S323 | S323-G363 WeakPolarHBondContact OG-CA 3.48Š| ||
| 364 | G | 97.8 | Very high | 97.5 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 168.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N29 S323 | N29-G364 WeakPolarHBondContact O-CA 3.08Å; N29-G364 PolarHBondContact O-N 2.8Å; S323-G364 WeakPolarHBondContact CB-O 3.39Å; S323-G364 PolarHBondContact OG-O 3.06Å |
| 365 | A | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -82 | 137 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R30 D383 T384 | R30-A365 PolarHBondContact NE-O 3.35Å; R30-A365 PolarHBondContact NH2-O 2.67Å; A365-D383 HydrophobicContact CB-CB 3.97Å; A365-D383 WeakPolarHBondContact CB-OD2 3.35Å; A365-T384 WeakPolarHBondContact CA-OG1 3.15Å |
| 366 | S | 98.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -91.1 | 137.6 | 173.9 | -47.2 | 0 | 0 | 0 | 0 | 109.9 | R30 N31 I368 D383 T384 | R30-S366 VanDerWaalsContact O-CA 3.26Å; R30-S366 WeakPolarHBondContact O-CA 3.49Å; R30-S366 WeakPolarHBondContact O-CB 3.46Å; R30-S366 PolarHBondContact O-OG 3.07Å; N31-S366 WeakPolarHBondContact CA-OG 3.31Å; S366-I368 PolarHBondContact O-N 2.81Å; S366-D383 CarbonylContact O-C 3.21Å; S366-D383 WeakPolarHBondContact O-CA 3.36Å; S366-D383 WeakPolarHBondContact O-CB 3.48Å; S366-T384 PolarHBondContact N-OG1 3.06Å; S366-T384 VanDerWaalsContact N-OG1 3.14Å; S366-T384 PolarHBondContact O-N 3.13Å |
| 367 | I | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.6 | 166.5 | -61.9 | 173.4 | 0 | 0 | 0 | 108.3 | T381 W391 L428 G431 L433 | I367-T381 HydrophobicContact CD1-CG2 4.37Å; I367-T381 HydrophobicContact CG2-CG2 3.87Å; I367-W391 HydrophobicContact CD1-CH2 4.46Å; I367-W391 HydrophobicContact CD1-CZ2 4.08Å; I367-L428 HydrophobicContact CB-CD2 4.27Å; I367-L428 HydrophobicContact CG2-CD1 3.98Å; I367-L428 HydrophobicContact CG2-CD2 3.68Å; I367-L428 HydrophobicContact CG2-CG 4.44Å; I367-G431 PolarHBondContact N-O 3.18Å; I367-L433 HydrophobicContact CD1-CD1 4.25Å; I367-L433 HydrophobicContact CD1-CG 3.79Å |
| 368 | I | 98.3 | Very high | 97.9 | Very high | 91 Ų | 91 | 41.7 Ų | 41.7 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -19.5 | -174.5 | 55.8 | 169.2 | 0 | 0 | 0 | 113.3 | S366 K382 T384 | S366-I368 PolarHBondContact O-N 2.81Å; I368-K382 VanDerWaalsContact CG1-O 3.32Å; I368-K382 WeakPolarHBondContact CG1-O 3.41Å; I368-K382 PolarHBondContact N-O 3.06Å; I368-T384 HydrophobicContact CG2-CG2 3.66Å |
| 369 | Q | 98.4 | Very high | 98 | Very high | 88 Ų | 88 | 38.5 Ų | 38.5 | 41% | 0.411 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.1 | 171.8 | -60.8 | -178.5 | -56.4 | 0 | 0 | 110 | T381 K382 F407 | Q369-T381 VanDerWaalsContact O-CA 3.25Å; Q369-T381 WeakPolarHBondContact O-CA 3.23Å; Q369-T381 WeakPolarHBondContact O-CB 3.46Å; Q369-K382 HydrophobicContact CB-CB 4.06Å; Q369-K382 PolarHBondContact N-O 2.8Å; Q369-K382 PolarHBondContact O-N 3.25Å; Q369-K382 VanDerWaalsContact OE1-CD 3.23Å; Q369-F407 HydrophobicContact CB-CE1 4.06Å; Q369-F407 HydrophobicContact CB-CZ 4.23Å |
| 370 | C | 98.4 | Very high | 98.1 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 28% | 0.277 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 134.6 | -179.4 | 172.8 | 0 | 0 | 0 | 0 | 109 | I379 L380 T381 L428 | C370-I379 WeakPolarHBondContact SG-CG2 3.16Å; C370-L380 CarbonylContact C-O 3.56Å; C370-L380 WeakPolarHBondContact CA-O 3.32Å; C370-T381 HydrophobicContact CB-CG2 4.44Å; C370-L428 HydrophobicContact CB-CD1 3.97Å; C370-L428 HydrophobicContact CB-CD2 4.32Å; C370-L428 HydrophobicContact CB-CG 4.48Å |
| 371 | H | 98.7 | Very high | 98.2 | Very high | 66 Ų | 66 | 34 Ų | 34 | 31% | 0.306 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 121.9 | 174 | -174.8 | 88.9 | 0 | 0 | 0 | 109.5 | I379 L380 F407 I411 | H371-I379 WeakPolarHBondContact O-CA 3.23Å; H371-L380 PolarHBondContact N-O 2.88Å; H371-L380 PolarHBondContact O-N 2.81Å; H371-F407 HydrophobicContact CB-CE1 4.3Å; H371-F407 HydrophobicContact CB-CZ 3.9Å; H371-I411 HydrophobicContact CB-CD1 3.62Å; H371-I411 HydrophobicContact CB-CG1 4.06Å; H371-I411 WeakPolarHBondContact NE2-CG2 3.31Å |
| 372 | I | 98.6 | Very high | 98.2 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 23% | 0.231 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.4 | 177.1 | -55 | 170.4 | 0 | 0 | 0 | 108.1 | K376 I379 F424 V426 | I372-K376 HydrophobicContact CG2-CD 3.82Å; I372-I379 HydrophobicContact CG1-CD1 4.37Å; I372-I379 HydrophobicContact CG1-CG1 4.17Å; I372-F424 HydrophobicContact CD1-CE2 3.81Å; I372-F424 HydrophobicContact CD1-CZ 4.22Å; I372-F424 HydrophobicContact CG1-CE2 4.21Å; I372-F424 HydrophobicContact CG1-CZ 4.4Å; I372-F424 HydrophobicContact CG2-CE2 4.35Å; I372-F424 HydrophobicContact CG2-CZ 3.71Å; I372-V426 HydrophobicContact CD1-CG2 3.88Å; I372-V426 HydrophobicContact CG1-CG2 4.21Å |
| 373 | L | 98.1 | Very high | 98.3 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | trans | -69.1 | 166.9 | 179.5 | -65.5 | 176.2 | 0 | 0 | 0 | 111.9 | D375 K376 H378 Y390 R414 | L373-D375 PolarHBondContact O-N 3.33Å; L373-K376 PolarHBondContact O-N 3.3Å; L373-K376 VanDerWaalsContact O-N 3.09Å; L373-K376 PolarHBondContact O-NZ 3.08Å; L373-H378 WeakPolarHBondContact CB-O 3.36Å; L373-H378 HydrophobicContact CD1-CB 3.83Å; L373-H378 PolarHBondContact N-O 3.08Å; L373-Y390 HydrophobicContact CD1-CD2 4.42Å; L373-Y390 HydrophobicContact CD1-CE2 3.67Å; L373-R414 HydrophobicContact CD1-CB 4.31Å; L373-R414 HydrophobicContact CD2-CB 4.3Å | ||
| 374 | N | 97.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 20% | 0.203 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -24.1 | -173.9 | -78 | -11.2 | 0 | 0 | 0 | 114.1 | K376 F415 K416 V418 V420 | N374-K376 PolarHBondContact O-N 3.14Å; N374-F415 WeakPolarHBondContact ND2-CD2 3.25Å; N374-F415 WeakPolarHBondContact ND2-CE2 3.32Å; N374-K416 WeakPolarHBondContact CB-O 3.44Å; N374-K416 PolarHBondContact ND2-O 2.79Å; N374-V418 HydrophobicContact CB-CG1 4.09Å; N374-V418 WeakPolarHBondContact CB-O 3.45Å; N374-V420 PolarHBondContact O-N 3.28Å |
| 375 | D | 96.4 | Very high | 98.3 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 17% | 0.166 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -7.7 | 175.8 | 63 | 13.2 | 0 | 0 | 0 | 113.8 | L373 R377 H378 V418 | L373-D375 PolarHBondContact O-N 3.33Å; D375-R377 PolarHBondContact O-N 3.12Å; D375-R377 VanDerWaalsContact O-N 3.14Å; D375-R377 PolarHBondContact OD1-N 3.07Å; D375-H378 PolarHBondContact OD1-N 3.17Å; D375-H378 IonicContact OD1-ND1 2.74Å; D375-H378 IonicContact OD2-CE1 2.8Å; D375-H378 IonicContact OD2-CG 3.43Å; D375-H378 IonicContact OD2-ND1 3.48Å; D375-H378 PolarHBondContact OD2-ND1 3.19Å; D375-V418 HydrophobicContact CB-CG1 4.47Å |
| 376 | K | 98.1 | Very high | 98.3 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 47.8 | 39.5 | -174.3 | -53.4 | -56.6 | 171 | -145 | 0 | 112.1 | I372 L373 N374 V420 N422 W423 F424 | I372-K376 HydrophobicContact CG2-CD 3.82Å; L373-K376 PolarHBondContact O-N 3.3Å; L373-K376 VanDerWaalsContact O-N 3.09Å; L373-K376 PolarHBondContact O-NZ 3.08Å; N374-K376 PolarHBondContact O-N 3.14Å; K376-V420 HydrophobicContact CB-CB 4.07Å; K376-V420 HydrophobicContact CB-CG1 3.97Å; K376-V420 WeakPolarHBondContact CE-O 3.39Å; K376-V420 HydrophobicContact CG-CB 3.83Å; K376-V420 HydrophobicContact CG-CG1 4.1Å; K376-V420 WeakPolarHBondContact CG-O 3.44Å; K376-N422 WeakPolarHBondContact CD-OD1 3.38Å; K376-N422 WeakPolarHBondContact CE-OD1 3.41Å; K376-W423 PolarHBondContact O-NE1 3.42Å; K376-F424 HydrophobicContact CB-CE1 4.36Å; K376-F424 WeakPolarHBondContact O-CE1 3.47Å |
| 377 | R | 97.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -132.1 | -37 | 172.6 | 174.2 | 170.5 | 173 | -177.8 | -12.2 | 111.2 | D375 D392 V393 L394 A452 | D375-R377 PolarHBondContact O-N 3.12Å; D375-R377 VanDerWaalsContact O-N 3.14Å; D375-R377 PolarHBondContact OD1-N 3.07Å; R377-D392 WeakPolarHBondContact CG-OD1 3.35Å; R377-D392 IonicContact CZ-OD1 2.74Å; R377-D392 IonicContact CZ-OD2 3.29Å; R377-D392 IonicContact NE-OD1 3.87Å; R377-D392 PolarHBondContact NE-OD1 2.9Å; R377-D392 VanDerWaalsContact NE-OD1 3.1Å; R377-D392 IonicContact NE-OD2 3.09Å; R377-D392 PolarHBondContact NE-OD2 3.37Å; R377-D392 IonicContact NH2-OD2 3.33Å; R377-D392 PolarHBondContact NH2-OD2 2.87Å; R377-V393 WeakPolarHBondContact O-CB 3.49Å; R377-V393 VanDerWaalsContact O-CG2 3.25Å; R377-V393 WeakPolarHBondContact O-CG2 3.31Å; R377-V393 PolarHBondContact O-N 3.32Å; R377-L394 HydrophobicContact CG-CB 4Å; R377-A452 PolarHBondContact NH1-O 2.83Å |
| 378 | H | 98.4 | Very high | 98.3 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 144.4 | -175.9 | -61.5 | 105.7 | 0 | 0 | 0 | 111.8 | L373 D375 Y390 W391 D392 | L373-H378 WeakPolarHBondContact CB-O 3.36Å; L373-H378 HydrophobicContact CD1-CB 3.83Å; L373-H378 PolarHBondContact N-O 3.08Å; D375-H378 PolarHBondContact OD1-N 3.17Å; D375-H378 IonicContact OD1-ND1 2.74Å; D375-H378 IonicContact OD2-CE1 2.8Å; D375-H378 IonicContact OD2-CG 3.43Å; D375-H378 IonicContact OD2-ND1 3.48Å; D375-H378 PolarHBondContact OD2-ND1 3.19Å; H378-Y390 HydrophobicContact CB-CE1 4.36Å; H378-Y390 HydrophobicContact CB-CE2 3.69Å; H378-Y390 WeakPolarHBondContact CB-OH 3.35Å; H378-Y390 AromaticContact CD2-CE1 3.41Å; H378-Y390 VanDerWaalsContact CD2-CE1 3.41Å; H378-Y390 WeakPolarHBondContact CD2-CE1 3.46Å; H378-Y390 AromaticContact CD2-CZ 3.31Å; H378-Y390 PolarHBondContact CD2-OH 2.92Å; H378-Y390 PolarHBondContact CE1-OH 3.3Å; H378-Y390 AromaticContact CG-CZ 3.43Å; H378-Y390 VanDerWaalsContact CG-CZ 3.43Å; H378-Y390 PolarHBondContact ND1-OH 3.3Å; H378-Y390 AromaticContact NE2-CE1 3.98Å; H378-Y390 AromaticContact NE2-CZ 3.96Å; H378-Y390 PolarHBondContact NE2-OH 3.17Å; H378-W391 VanDerWaalsContact CA-O 3.24Å; H378-W391 WeakPolarHBondContact CA-O 3.5Å; H378-D392 IonicContact NE2-OD2 2.8Å |
| 379 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.7 | 177.2 | -71 | 177.3 | 0 | 0 | 0 | 109 | C370 H371 I372 T381 Y390 W391 V393 F424 V426 L433 I435 | C370-I379 WeakPolarHBondContact SG-CG2 3.16Å; H371-I379 WeakPolarHBondContact O-CA 3.23Å; I372-I379 HydrophobicContact CG1-CD1 4.37Å; I372-I379 HydrophobicContact CG1-CG1 4.17Å; I379-T381 HydrophobicContact CG2-CG2 3.61Å; I379-Y390 WeakPolarHBondContact O-CA 3.27Å; I379-W391 HydrophobicContact CB-CB 4.36Å; I379-W391 PolarHBondContact N-O 2.96Å; I379-W391 PolarHBondContact O-N 3.36Å; I379-V393 HydrophobicContact CB-CG2 4.34Å; I379-V393 HydrophobicContact CD1-CG2 3.27Å; I379-V393 HydrophobicContact CG1-CG2 3.5Å; I379-V393 VanDerWaalsContact CG1-CG2 3.5Å; I379-F424 HydrophobicContact CD1-CE2 4.05Å; I379-F424 HydrophobicContact CD1-CZ 4.46Å; I379-V426 HydrophobicContact CD1-CG2 3.73Å; I379-L433 HydrophobicContact CD1-CD2 4.42Å; I379-L433 HydrophobicContact CG2-CD2 4.35Å; I379-I435 HydrophobicContact CD1-CD1 4.13Å |
| 380 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.3 | 163.5 | -153.5 | 74.9 | 0 | 0 | 0 | 109.2 | C370 H371 V388 A389 Y390 L402 F407 E410 I411 | C370-L380 CarbonylContact C-O 3.56Å; C370-L380 WeakPolarHBondContact CA-O 3.32Å; H371-L380 PolarHBondContact N-O 2.88Å; H371-L380 PolarHBondContact O-N 2.81Å; L380-V388 HydrophobicContact CD1-CG1 3.91Å; L380-V388 HydrophobicContact CD2-CG1 3.83Å; L380-V388 HydrophobicContact CG-CG1 3.66Å; L380-A389 WeakPolarHBondContact CA-O 3.28Å; L380-Y390 HydrophobicContact CD1-CD2 4.09Å; L380-L402 HydrophobicContact CD1-CD1 3.9Å; L380-F407 HydrophobicContact CB-CE2 4.05Å; L380-F407 HydrophobicContact CD2-CD2 3.93Å; L380-F407 HydrophobicContact CD2-CE2 3.83Å; L380-F407 HydrophobicContact CG-CD2 4.35Å; L380-F407 HydrophobicContact CG-CE2 3.9Å; L380-E410 HydrophobicContact CD1-CG 4.28Å; L380-E410 HydrophobicContact CD2-CB 3.9Å; L380-E410 HydrophobicContact CD2-CG 3.84Å; L380-I411 HydrophobicContact CD2-CG1 3.87Å |
| 381 | T | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 157 | 176.6 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | I367 Q369 C370 I379 V388 A389 W391 L433 | I367-T381 HydrophobicContact CD1-CG2 4.37Å; I367-T381 HydrophobicContact CG2-CG2 3.87Å; Q369-T381 VanDerWaalsContact O-CA 3.25Å; Q369-T381 WeakPolarHBondContact O-CA 3.23Å; Q369-T381 WeakPolarHBondContact O-CB 3.46Å; C370-T381 HydrophobicContact CB-CG2 4.44Å; I379-T381 HydrophobicContact CG2-CG2 3.61Å; T381-V388 WeakPolarHBondContact O-CA 3.46Å; T381-V388 WeakPolarHBondContact O-CG1 3.17Å; T381-A389 PolarHBondContact N-O 3.18Å; T381-A389 PolarHBondContact O-N 2.86Å; T381-W391 PolarHBondContact OG1-NE1 3.35Å; T381-L433 HydrophobicContact CG2-CD1 3.92Å; T381-L433 HydrophobicContact CG2-CD2 3.88Å; T381-L433 HydrophobicContact CG2-CG 4.16Å |
| 382 | K | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 15% | 0.152 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.5 | 168.3 | -164.9 | -176.3 | -169.9 | 173.8 | 0 | 109.5 | I368 Q369 N386 N387 V388 F407 | I368-K382 VanDerWaalsContact CG1-O 3.32Å; I368-K382 WeakPolarHBondContact CG1-O 3.41Å; I368-K382 PolarHBondContact N-O 3.06Å; Q369-K382 HydrophobicContact CB-CB 4.06Å; Q369-K382 PolarHBondContact N-O 2.8Å; Q369-K382 PolarHBondContact O-N 3.25Å; Q369-K382 VanDerWaalsContact OE1-CD 3.23Å; K382-N386 VanDerWaalsContact CE-OD1 3.26Å; K382-N386 WeakPolarHBondContact CE-OD1 3.33Å; K382-N387 WeakPolarHBondContact CA-O 3.44Å; K382-V388 HydrophobicContact CG-CG2 4.29Å; K382-F407 HydrophobicContact CB-CD2 3.95Å; K382-F407 HydrophobicContact CB-CE2 4.22Å; K382-F407 HydrophobicContact CB-CG 4.32Å; K382-F407 HydrophobicContact CD-CB 4.2Å |
| 383 | D | 98.6 | Very high | 98.3 | Very high | 25 Ų | 25 | 28 Ų | 28 | 13% | 0.134 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 175.4 | 179.7 | 77.9 | 10.1 | 0 | 0 | 0 | 113.6 | A365 S366 N385 N386 N387 | A365-D383 HydrophobicContact CB-CB 3.97Å; A365-D383 WeakPolarHBondContact CB-OD2 3.35Å; S366-D383 CarbonylContact O-C 3.21Å; S366-D383 WeakPolarHBondContact O-CA 3.36Å; S366-D383 WeakPolarHBondContact O-CB 3.48Å; D383-N385 PolarHBondContact O-N 2.74Å; D383-N385 VanDerWaalsContact O-N 3.17Å; D383-N385 VanDerWaalsContact OD1-C 3.27Å; D383-N385 VanDerWaalsContact OD1-CA 3.24Å; D383-N385 WeakPolarHBondContact OD1-CA 3.23Å; D383-N385 WeakPolarHBondContact OD1-CB 3.11Å; D383-N385 PolarHBondContact OD1-N 2.99Å; D383-N386 WeakPolarHBondContact O-CA 3.28Å; D383-N386 PolarHBondContact O-N 3.48Å; D383-N386 PolarHBondContact OD1-N 3.26Å; D383-N387 PolarHBondContact N-O 3.13Å; D383-N387 PolarHBondContact OD1-N 3.16Å; D383-N387 PolarHBondContact OD2-ND2 3.11Å |
| 384 | T | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 40% | 0.399 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.7 | 176.8 | 50.3 | 0 | 0 | 0 | 0 | 114.6 | A365 S366 I368 N386 | A365-T384 WeakPolarHBondContact CA-OG1 3.15Å; S366-T384 PolarHBondContact N-OG1 3.06Å; S366-T384 VanDerWaalsContact N-OG1 3.14Å; S366-T384 PolarHBondContact O-N 3.13Å; I368-T384 HydrophobicContact CG2-CG2 3.66Å; T384-N386 VanDerWaalsContact C-N 3.34Å |
| 385 | N | 98 | Very high | 98.3 | Very high | 89 Ų | 89 | 29.3 Ų | 29.3 | 48% | 0.476 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.9 | 174.4 | -66.8 | -16.7 | 0 | 0 | 0 | 112 | D383 N387 K404 | D383-N385 PolarHBondContact O-N 2.74Å; D383-N385 VanDerWaalsContact O-N 3.17Å; D383-N385 VanDerWaalsContact OD1-C 3.27Å; D383-N385 VanDerWaalsContact OD1-CA 3.24Å; D383-N385 WeakPolarHBondContact OD1-CA 3.23Å; D383-N385 WeakPolarHBondContact OD1-CB 3.11Å; D383-N385 PolarHBondContact OD1-N 2.99Å; N385-N387 PolarHBondContact O-N 3.45Å; N385-K404 WeakPolarHBondContact O-CE 3.4Å |
| 386 | N | 98.1 | Very high | 98.4 | Very high | 84 Ų | 84 | 28 Ų | 28 | 45% | 0.449 | 14% | 0.14 | S | C | . | . | trans | 63.4 | 20.8 | -172.8 | -56.9 | -65.5 | 0 | 0 | 0 | 114.3 | K382 D383 T384 | K382-N386 VanDerWaalsContact CE-OD1 3.26Å; K382-N386 WeakPolarHBondContact CE-OD1 3.33Å; D383-N386 WeakPolarHBondContact O-CA 3.28Å; D383-N386 PolarHBondContact O-N 3.48Å; D383-N386 PolarHBondContact OD1-N 3.26Å; T384-N386 VanDerWaalsContact C-N 3.34Å | ||
| 387 | N | 98.4 | Very high | 98.4 | Very high | 49 Ų | 49 | 28.6 Ų | 28.6 | 26% | 0.262 | 15% | 0.147 | S | C | . | . | trans | -79.1 | 137.1 | 170.2 | -57 | -49.8 | 0 | 0 | 0 | 109.3 | K382 D383 N385 G403 | K382-N387 WeakPolarHBondContact CA-O 3.44Å; D383-N387 PolarHBondContact N-O 3.13Å; D383-N387 PolarHBondContact OD1-N 3.16Å; D383-N387 PolarHBondContact OD2-ND2 3.11Å; N385-N387 PolarHBondContact O-N 3.45Å; N387-G403 CarbonylContact C-O 3.55Å; N387-G403 WeakPolarHBondContact CA-O 3.25Å | ||
| 388 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.2 | 174 | -178.7 | 0 | 0 | 0 | 0 | 109 | L380 T381 K382 L402 G403 V405 F407 | L380-V388 HydrophobicContact CD1-CG1 3.91Å; L380-V388 HydrophobicContact CD2-CG1 3.83Å; L380-V388 HydrophobicContact CG-CG1 3.66Å; T381-V388 WeakPolarHBondContact O-CA 3.46Å; T381-V388 WeakPolarHBondContact O-CG1 3.17Å; K382-V388 HydrophobicContact CG-CG2 4.29Å; V388-L402 HydrophobicContact CB-CB 4.34Å; V388-L402 HydrophobicContact CG1-CD1 4.08Å; V388-L402 WeakPolarHBondContact O-CA 3.4Å; V388-L402 WeakPolarHBondContact O-CB 3.48Å; V388-L402 PolarHBondContact O-N 2.78Å; V388-G403 PolarHBondContact N-O 2.82Å; V388-G403 PolarHBondContact O-N 2.8Å; V388-V405 HydrophobicContact CB-CG2 3.67Å; V388-V405 HydrophobicContact CG1-CG2 4.09Å; V388-V405 HydrophobicContact CG2-CG2 3.81Å; V388-V405 WeakPolarHBondContact CG2-O 3.41Å; V388-F407 HydrophobicContact CG1-CD2 4.05Å; V388-F407 HydrophobicContact CG2-CB 4.42Å; V388-F407 HydrophobicContact CG2-CD2 4.08Å |
| 389 | A | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 33 Ų | 33 | 5% | 0.05 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 150.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L380 T381 W391 K398 E400 | L380-A389 WeakPolarHBondContact CA-O 3.28Å; T381-A389 PolarHBondContact N-O 3.18Å; T381-A389 PolarHBondContact O-N 2.86Å; A389-W391 HydrophobicContact CB-CZ2 3.88Å; A389-W391 VanDerWaalsContact O-CD1 3.29Å; A389-W391 PolarHBondContact O-NE1 2.98Å; A389-K398 HydrophobicContact CB-CD 4.45Å; A389-E400 WeakPolarHBondContact CA-O 3.37Å |
| 390 | Y | 98.5 | Very high | 97.9 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 15% | 0.145 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.2 | 178.7 | -178.9 | -96.8 | 0 | 0 | 0 | 110.2 | L373 H378 I379 L380 G399 E400 | L373-Y390 HydrophobicContact CD1-CD2 4.42Å; L373-Y390 HydrophobicContact CD1-CE2 3.67Å; H378-Y390 HydrophobicContact CB-CE1 4.36Å; H378-Y390 HydrophobicContact CB-CE2 3.69Å; H378-Y390 WeakPolarHBondContact CB-OH 3.35Å; H378-Y390 AromaticContact CD2-CE1 3.41Å; H378-Y390 VanDerWaalsContact CD2-CE1 3.41Å; H378-Y390 WeakPolarHBondContact CD2-CE1 3.46Å; H378-Y390 AromaticContact CD2-CZ 3.31Å; H378-Y390 PolarHBondContact CD2-OH 2.92Å; H378-Y390 PolarHBondContact CE1-OH 3.3Å; H378-Y390 AromaticContact CG-CZ 3.43Å; H378-Y390 VanDerWaalsContact CG-CZ 3.43Å; H378-Y390 PolarHBondContact ND1-OH 3.3Å; H378-Y390 AromaticContact NE2-CE1 3.98Å; H378-Y390 AromaticContact NE2-CZ 3.96Å; H378-Y390 PolarHBondContact NE2-OH 3.17Å; I379-Y390 WeakPolarHBondContact O-CA 3.27Å; L380-Y390 HydrophobicContact CD1-CD2 4.09Å; Y390-G399 WeakPolarHBondContact O-CA 3.49Å; Y390-G399 PolarHBondContact O-N 3.1Å; Y390-E400 HydrophobicContact CD1-CG 4.24Å; Y390-E400 HydrophobicContact CG-CG 4.26Å; Y390-E400 PolarHBondContact N-O 2.88Å; Y390-E400 PolarHBondContact O-N 3.1Å |
| 391 | W | 98.7 | Very high | 97.9 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.6 | -169.2 | -50.5 | 78.5 | 0 | 0 | 0 | 110.9 | I21 I367 H378 I379 T381 A389 K398 L433 | I21-W391 HydrophobicContact CG2-CE3 3.74Å; I21-W391 HydrophobicContact CG2-CZ3 3.88Å; I367-W391 HydrophobicContact CD1-CH2 4.46Å; I367-W391 HydrophobicContact CD1-CZ2 4.08Å; H378-W391 VanDerWaalsContact CA-O 3.24Å; H378-W391 WeakPolarHBondContact CA-O 3.5Å; I379-W391 HydrophobicContact CB-CB 4.36Å; I379-W391 PolarHBondContact N-O 2.96Å; I379-W391 PolarHBondContact O-N 3.36Å; T381-W391 PolarHBondContact OG1-NE1 3.35Å; A389-W391 HydrophobicContact CB-CZ2 3.88Å; A389-W391 VanDerWaalsContact O-CD1 3.29Å; A389-W391 PolarHBondContact O-NE1 2.98Å; W391-K398 HydrophobicContact CD2-CB 4.32Å; W391-K398 HydrophobicContact CD2-CG 4.05Å; W391-K398 HydrophobicContact CE3-CB 3.61Å; W391-K398 HydrophobicContact CE3-CG 3.81Å; W391-K398 HydrophobicContact CH2-CB 4.25Å; W391-K398 HydrophobicContact CH2-CD 4.23Å; W391-K398 HydrophobicContact CH2-CG 4.06Å; W391-K398 HydrophobicContact CZ2-CD 4.43Å; W391-K398 HydrophobicContact CZ2-CG 4.25Å; W391-K398 HydrophobicContact CZ3-CB 3.57Å; W391-K398 HydrophobicContact CZ3-CD 4.41Å; W391-K398 HydrophobicContact CZ3-CG 3.83Å; W391-L433 HydrophobicContact CB-CD1 4.24Å; W391-L433 HydrophobicContact CD2-CD1 3.54Å; W391-L433 HydrophobicContact CE3-CD1 3.89Å; W391-L433 HydrophobicContact CG-CD1 3.68Å; W391-L433 HydrophobicContact CZ2-CD1 4.45Å; W391-L433 HydrophobicContact CZ3-CD1 4.45Å |
| 392 | D | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.9 | 169.3 | -172.3 | -25 | 0 | 0 | 0 | 108.4 | R377 H378 L394 K395 A396 C397 | R377-D392 WeakPolarHBondContact CG-OD1 3.35Å; R377-D392 IonicContact CZ-OD1 2.74Å; R377-D392 IonicContact CZ-OD2 3.29Å; R377-D392 IonicContact NE-OD1 3.87Å; R377-D392 PolarHBondContact NE-OD1 2.9Å; R377-D392 VanDerWaalsContact NE-OD1 3.1Å; R377-D392 IonicContact NE-OD2 3.09Å; R377-D392 PolarHBondContact NE-OD2 3.37Å; R377-D392 IonicContact NH2-OD2 3.33Å; R377-D392 PolarHBondContact NH2-OD2 2.87Å; H378-D392 IonicContact NE2-OD2 2.8Å; D392-L394 WeakPolarHBondContact OD1-CB 3.45Å; D392-L394 PolarHBondContact OD1-N 3.42Å; D392-K395 HydrophobicContact CB-CB 4.19Å; D392-K395 PolarHBondContact OD1-N 3.26Å; D392-K395 VanDerWaalsContact OD1-N 3.08Å; D392-K395 WeakPolarHBondContact OD2-CD 3.24Å; D392-K395 WeakPolarHBondContact OD2-CG 2.85Å; D392-A396 WeakPolarHBondContact O-CA 3.46Å; D392-A396 PolarHBondContact O-N 2.98Å; D392-C397 PolarHBondContact N-O 3.43Å; D392-C397 PolarHBondContact O-N 2.87Å; D392-C397 VanDerWaalsContact O-N 3.11Å |
| 393 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -42 | -179.7 | 177 | 0 | 0 | 0 | 0 | 110.5 | Y19 R377 I379 A396 W423 F424 I435 | Y19-V393 WeakPolarHBondContact OH-CG1 3.34Å; Y19-V393 PolarHBondContact OH-O 2.83Å; R377-V393 WeakPolarHBondContact O-CB 3.49Å; R377-V393 VanDerWaalsContact O-CG2 3.25Å; R377-V393 WeakPolarHBondContact O-CG2 3.31Å; R377-V393 PolarHBondContact O-N 3.32Å; I379-V393 HydrophobicContact CB-CG2 4.34Å; I379-V393 HydrophobicContact CD1-CG2 3.27Å; I379-V393 HydrophobicContact CG1-CG2 3.5Å; I379-V393 VanDerWaalsContact CG1-CG2 3.5Å; V393-A396 PolarHBondContact O-N 2.85Å; V393-A396 VanDerWaalsContact O-N 3.14Å; V393-W423 HydrophobicContact CG1-CH2 4.42Å; V393-F424 HydrophobicContact CB-CZ 4.34Å; V393-F424 HydrophobicContact CG1-CD1 4.28Å; V393-F424 HydrophobicContact CG1-CD2 4.27Å; V393-F424 HydrophobicContact CG1-CE1 4.11Å; V393-F424 HydrophobicContact CG1-CE2 4.11Å; V393-F424 HydrophobicContact CG1-CG 4.35Å; V393-F424 HydrophobicContact CG1-CZ 4.01Å; V393-F424 HydrophobicContact CG2-CE2 4.17Å; V393-F424 HydrophobicContact CG2-CZ 3.93Å; V393-I435 HydrophobicContact CG1-CD1 4.27Å; V393-I435 HydrophobicContact CG1-CG1 4.24Å; V393-I435 HydrophobicContact CG1-CG2 4.04Å |
| 394 | L | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -42.8 | -176.2 | -175.1 | 66.7 | 0 | 0 | 0 | 110.8 | R377 D392 A396 W423 F454 L466 L470 F512 | R377-L394 HydrophobicContact CG-CB 4Å; D392-L394 WeakPolarHBondContact OD1-CB 3.45Å; D392-L394 PolarHBondContact OD1-N 3.42Å; L394-A396 VanDerWaalsContact C-N 3.28Å; L394-W423 HydrophobicContact CD1-CH2 4.16Å; L394-F454 HydrophobicContact CD2-CE2 4.08Å; L394-F454 HydrophobicContact CD2-CZ 4.1Å; L394-L466 HydrophobicContact CD1-CB 4.41Å; L394-L466 HydrophobicContact CD1-CD2 4.37Å; L394-L466 WeakPolarHBondContact CD1-O 3.16Å; L394-L466 HydrophobicContact CD2-CD2 3.91Å; L394-L470 HydrophobicContact CD1-CB 4.13Å; L394-L470 WeakPolarHBondContact O-CD1 3.3Å; L394-F512 HydrophobicContact CD1-CE1 3.76Å; L394-F512 HydrophobicContact CD1-CE2 4.39Å; L394-F512 HydrophobicContact CD1-CZ 3.46Å; L394-F512 VanDerWaalsContact CD1-CZ 3.46Å; L394-F512 HydrophobicContact CD2-CD1 4.31Å; L394-F512 HydrophobicContact CD2-CE1 3.78Å; L394-F512 HydrophobicContact CD2-CZ 4.25Å; L394-F512 HydrophobicContact CG-CD1 4.28Å; L394-F512 HydrophobicContact CG-CE1 3.54Å; L394-F512 HydrophobicContact CG-CE2 4.16Å; L394-F512 HydrophobicContact CG-CZ 3.48Å; L394-F512 VanDerWaalsContact CG-CZ 3.48Å; L394-F512 WeakPolarHBondContact O-CE2 3.38Å |
| 395 | K | 98 | Very high | 97.7 | Very high | 76 Ų | 76 | 49 Ų | 49 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -1.1 | 175.8 | -64.4 | -175.9 | 177.9 | 178.2 | 0 | 113.8 | D392 C397 F512 P515 | D392-K395 HydrophobicContact CB-CB 4.19Å; D392-K395 PolarHBondContact OD1-N 3.26Å; D392-K395 VanDerWaalsContact OD1-N 3.08Å; D392-K395 WeakPolarHBondContact OD2-CD 3.24Å; D392-K395 WeakPolarHBondContact OD2-CG 2.85Å; K395-C397 VanDerWaalsContact C-N 3.27Å; K395-C397 PolarHBondContact O-N 3.05Å; K395-F512 HydrophobicContact CG-CB 4.23Å; K395-F512 HydrophobicContact CG-CD2 4.29Å; K395-F512 HydrophobicContact CG-CG 4.29Å; K395-P515 WeakPolarHBondContact O-CD 3.12Å |
| 396 | A | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 41.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y19 I21 D392 V393 L394 V514 | Y19-A396 HydrophobicContact CD2-CB 3.97Å; Y19-A396 HydrophobicContact CE2-CB 3.53Å; I21-A396 HydrophobicContact CG1-CB 4.24Å; D392-A396 WeakPolarHBondContact O-CA 3.46Å; D392-A396 PolarHBondContact O-N 2.98Å; V393-A396 PolarHBondContact O-N 2.85Å; V393-A396 VanDerWaalsContact O-N 3.14Å; L394-A396 VanDerWaalsContact C-N 3.28Å; A396-V514 HydrophobicContact CB-CB 4.15Å; A396-V514 HydrophobicContact CB-CG1 3.87Å |
| 397 | C | 97.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 28% | 0.284 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.7 | -174.5 | 68.3 | 0 | 0 | 0 | 0 | 113.3 | D392 K395 P515 | D392-C397 PolarHBondContact N-O 3.43Å; D392-C397 PolarHBondContact O-N 2.87Å; D392-C397 VanDerWaalsContact O-N 3.11Å; K395-C397 VanDerWaalsContact C-N 3.27Å; K395-C397 PolarHBondContact O-N 3.05Å; C397-P515 HydrophobicContact CB-CG 4.45Å |
| 398 | K | 97.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 50.3 Ų | 50.3 | 39% | 0.391 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.5 | 169.2 | -164.5 | -169.8 | -69 | -170.7 | 0 | 109.1 | A389 W391 D401 | A389-K398 HydrophobicContact CB-CD 4.45Å; W391-K398 HydrophobicContact CD2-CB 4.32Å; W391-K398 HydrophobicContact CD2-CG 4.05Å; W391-K398 HydrophobicContact CE3-CB 3.61Å; W391-K398 HydrophobicContact CE3-CG 3.81Å; W391-K398 HydrophobicContact CH2-CB 4.25Å; W391-K398 HydrophobicContact CH2-CD 4.23Å; W391-K398 HydrophobicContact CH2-CG 4.06Å; W391-K398 HydrophobicContact CZ2-CD 4.43Å; W391-K398 HydrophobicContact CZ2-CG 4.25Å; W391-K398 HydrophobicContact CZ3-CB 3.57Å; W391-K398 HydrophobicContact CZ3-CD 4.41Å; W391-K398 HydrophobicContact CZ3-CG 3.83Å; K398-D401 WeakPolarHBondContact CD-OD1 3.11Å; K398-D401 WeakPolarHBondContact CD-OD2 3.36Å; K398-D401 IonicContact NZ-OD1 3.9Å; K398-D401 PolarHBondContact NZ-OD1 2.91Å; K398-D401 IonicContact NZ-OD2 3.4Å; K398-D401 PolarHBondContact NZ-OD2 3.32Å |
| 399 | G | 93.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -68.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y390 | Y390-G399 WeakPolarHBondContact O-CA 3.49Å; Y390-G399 PolarHBondContact O-N 3.1Å |
| 400 | E | 95.2 | Very high | 97.5 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 143.5 | -176.4 | 55.4 | -179.3 | 166.2 | 0 | 0 | 111.8 | A389 Y390 L402 R414 | A389-E400 WeakPolarHBondContact CA-O 3.37Å; Y390-E400 HydrophobicContact CD1-CG 4.24Å; Y390-E400 HydrophobicContact CG-CG 4.26Å; Y390-E400 PolarHBondContact N-O 2.88Å; Y390-E400 PolarHBondContact O-N 3.1Å; E400-L402 HydrophobicContact CG-CD2 3.8Å; E400-L402 HydrophobicContact CG-CG 4.38Å; E400-R414 IonicContact OE1-CZ 2.92Å; E400-R414 IonicContact OE1-NH1 3.55Å; E400-R414 PolarHBondContact OE1-NH1 2.8Å; E400-R414 IonicContact OE1-NH2 3.98Å; E400-R414 PolarHBondContact OE1-NH2 2.96Å |
| 401 | D | 97.1 | Very high | 97.5 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 56% | 0.556 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 115.4 | 168.8 | -77.8 | -61.6 | 0 | 0 | 0 | 108.5 | K398 | K398-D401 WeakPolarHBondContact CD-OD1 3.11Å; K398-D401 WeakPolarHBondContact CD-OD2 3.36Å; K398-D401 IonicContact NZ-OD1 3.9Å; K398-D401 PolarHBondContact NZ-OD1 2.91Å; K398-D401 IonicContact NZ-OD2 3.4Å; K398-D401 PolarHBondContact NZ-OD2 3.32Å |
| 402 | L | 97.7 | Very high | 97.5 | Very high | 37 Ų | 37 | 63 Ų | 63 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -7.3 | -176.3 | -57.6 | 178.5 | 0 | 0 | 0 | 112.6 | L380 V388 E400 V405 E410 | L380-L402 HydrophobicContact CD1-CD1 3.9Å; V388-L402 HydrophobicContact CB-CB 4.34Å; V388-L402 HydrophobicContact CG1-CD1 4.08Å; V388-L402 WeakPolarHBondContact O-CA 3.4Å; V388-L402 WeakPolarHBondContact O-CB 3.48Å; V388-L402 PolarHBondContact O-N 2.78Å; E400-L402 HydrophobicContact CG-CD2 3.8Å; E400-L402 HydrophobicContact CG-CG 4.38Å; L402-V405 HydrophobicContact CB-CG2 3.9Å; L402-V405 WeakPolarHBondContact O-CG1 3.21Å; L402-E410 HydrophobicContact CD1-CG 3.62Å |
| 403 | G | 97.4 | Very high | 97.4 | Very high | 27 Ų | 27 | 69.8 Ų | 69.8 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.8 | -150.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | N387 V388 V405 | N387-G403 CarbonylContact C-O 3.55Å; N387-G403 WeakPolarHBondContact CA-O 3.25Å; V388-G403 PolarHBondContact N-O 2.82Å; V388-G403 PolarHBondContact O-N 2.8Å; G403-V405 PolarHBondContact O-N 3.23Å; G403-V405 VanDerWaalsContact O-N 3.09Å |
| 404 | K | 97.8 | Very high | 97.3 | Very high | 162 Ų | 162 | 72.3 Ų | 72.3 | 70% | 0.704 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -88.1 | 71.6 | -174.1 | -62.7 | -179.7 | -179.3 | 177.3 | 0 | 111.5 | N385 | N385-K404 WeakPolarHBondContact O-CE 3.4Š|
| 405 | V | 97.7 | Very high | 97.2 | Very high | 52 Ų | 52 | 77.9 Ų | 77.9 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | trans | -99.3 | 160.4 | 172.6 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | V388 L402 G403 F407 E410 | V388-V405 HydrophobicContact CB-CG2 3.67Å; V388-V405 HydrophobicContact CG1-CG2 4.09Å; V388-V405 HydrophobicContact CG2-CG2 3.81Å; V388-V405 WeakPolarHBondContact CG2-O 3.41Å; L402-V405 HydrophobicContact CB-CG2 3.9Å; L402-V405 WeakPolarHBondContact O-CG1 3.21Å; G403-V405 PolarHBondContact O-N 3.23Å; G403-V405 VanDerWaalsContact O-N 3.09Å; V405-F407 PolarHBondContact O-N 3.32Å; V405-E410 HydrophobicContact CG2-CB 4.41Å | ||
| 406 | E | 97.8 | Very high | 97 | Very high | 129 Ų | 129 | 80.5 Ų | 80.5 | 60% | 0.603 | 40% | 0.399 | S | S | * | . | trans | -70.5 | 119.6 | 174.8 | -74.9 | -56.1 | 143.2 | 0 | 0 | 111 | D408 E409 E410 | E406-D408 PolarHBondContact O-N 2.91Å; E406-E409 HydrophobicContact CB-CB 4.12Å; E406-E409 HydrophobicContact CB-CG 3.99Å; E406-E409 PolarHBondContact O-N 2.97Å; E406-E410 PolarHBondContact O-N 3.49Å; E406-E410 VanDerWaalsContact O-N 3.08Å | ||
| 407 | F | 98 | Very high | 96.8 | Very high | 12 Ų | 12 | 84.5 Ų | 84.5 | 5% | 0.053 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | -168.2 | -175.4 | -113.4 | 0 | 0 | 0 | 112.6 | Q369 H371 L380 K382 V388 V405 E410 I411 | Q369-F407 HydrophobicContact CB-CE1 4.06Å; Q369-F407 HydrophobicContact CB-CZ 4.23Å; H371-F407 HydrophobicContact CB-CE1 4.3Å; H371-F407 HydrophobicContact CB-CZ 3.9Å; L380-F407 HydrophobicContact CB-CE2 4.05Å; L380-F407 HydrophobicContact CD2-CD2 3.93Å; L380-F407 HydrophobicContact CD2-CE2 3.83Å; L380-F407 HydrophobicContact CG-CD2 4.35Å; L380-F407 HydrophobicContact CG-CE2 3.9Å; K382-F407 HydrophobicContact CB-CD2 3.95Å; K382-F407 HydrophobicContact CB-CE2 4.22Å; K382-F407 HydrophobicContact CB-CG 4.32Å; K382-F407 HydrophobicContact CD-CB 4.2Å; V388-F407 HydrophobicContact CG1-CD2 4.05Å; V388-F407 HydrophobicContact CG2-CB 4.42Å; V388-F407 HydrophobicContact CG2-CD2 4.08Å; V405-F407 PolarHBondContact O-N 3.32Å; F407-E410 PolarHBondContact O-N 3.41Å; F407-I411 HydrophobicContact CD1-CD1 3.83Å; F407-I411 HydrophobicContact CE1-CD1 3.59Å; F407-I411 HydrophobicContact CG-CD1 4.44Å; F407-I411 HydrophobicContact CZ-CD1 3.98Å; F407-I411 WeakPolarHBondContact O-CG1 3.3Å; F407-I411 PolarHBondContact O-N 2.8Å; F407-I411 VanDerWaalsContact O-N 3.09Å |
| 408 | D | 97.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 84.5 Ų | 84.5 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72.1 | -29.6 | -178.5 | -65.9 | -36.8 | 0 | 0 | 0 | 112.7 | E406 K412 | E406-D408 PolarHBondContact O-N 2.91Å; D408-K412 WeakPolarHBondContact O-CG 3.48Å; D408-K412 PolarHBondContact O-N 3.06Å |
| 409 | E | 97.5 | Very high | 96.6 | Very high | 134 Ų | 134 | 83.6 Ų | 83.6 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -70.8 | -41.5 | 174.9 | -64.8 | -167.9 | 157.3 | 0 | 0 | 111.2 | E406 I411 K412 K413 | E406-E409 HydrophobicContact CB-CB 4.12Å; E406-E409 HydrophobicContact CB-CG 3.99Å; E406-E409 PolarHBondContact O-N 2.97Å; E409-I411 VanDerWaalsContact C-N 3.32Å; E409-I411 PolarHBondContact O-N 3.21Å; E409-K412 PolarHBondContact O-N 3.38Å; E409-K413 WeakPolarHBondContact O-CB 3.4Å; E409-K413 PolarHBondContact O-N 3.08Å |
| 410 | E | 97.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 81.2 Ų | 81.2 | 7% | 0.07 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 177.6 | -169.1 | 64.2 | -158.2 | 0 | 0 | 111.8 | L380 L402 V405 E406 F407 K413 R414 | L380-E410 HydrophobicContact CD1-CG 4.28Å; L380-E410 HydrophobicContact CD2-CB 3.9Å; L380-E410 HydrophobicContact CD2-CG 3.84Å; L402-E410 HydrophobicContact CD1-CG 3.62Å; V405-E410 HydrophobicContact CG2-CB 4.41Å; E406-E410 PolarHBondContact O-N 3.49Å; E406-E410 VanDerWaalsContact O-N 3.08Å; F407-E410 PolarHBondContact O-N 3.41Å; E410-K413 PolarHBondContact O-N 3.29Å; E410-K413 IonicContact OE1-NZ 2.7Å; E410-K413 WeakPolarHBondContact OE2-CD 3.45Å; E410-K413 IonicContact OE2-NZ 2.74Å; E410-K413 PolarHBondContact OE2-NZ 2.8Å; E410-R414 WeakPolarHBondContact O-CG 3.46Å; E410-R414 PolarHBondContact O-N 2.83Å; E410-R414 VanDerWaalsContact O-N 3.15Å; E410-R414 IonicContact OE1-CZ 3.19Å; E410-R414 VanDerWaalsContact OE1-CZ 3.25Å; E410-R414 IonicContact OE1-NE 3.19Å; E410-R414 PolarHBondContact OE1-NE 2.84Å; E410-R414 IonicContact OE1-NH2 3.2Å; E410-R414 PolarHBondContact OE1-NH2 3.24Å |
| 411 | I | 97.9 | Very high | 96.8 | Very high | 26 Ų | 26 | 78.3 Ų | 78.3 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.7 | -50.1 | 169.3 | -70.7 | 165.5 | 0 | 0 | 0 | 110.7 | H371 L380 F407 E409 K413 R414 F415 | H371-I411 HydrophobicContact CB-CD1 3.62Å; H371-I411 HydrophobicContact CB-CG1 4.06Å; H371-I411 WeakPolarHBondContact NE2-CG2 3.31Å; L380-I411 HydrophobicContact CD2-CG1 3.87Å; F407-I411 HydrophobicContact CD1-CD1 3.83Å; F407-I411 HydrophobicContact CE1-CD1 3.59Å; F407-I411 HydrophobicContact CG-CD1 4.44Å; F407-I411 HydrophobicContact CZ-CD1 3.98Å; F407-I411 WeakPolarHBondContact O-CG1 3.3Å; F407-I411 PolarHBondContact O-N 2.8Å; F407-I411 VanDerWaalsContact O-N 3.09Å; E409-I411 VanDerWaalsContact C-N 3.32Å; E409-I411 PolarHBondContact O-N 3.21Å; I411-K413 VanDerWaalsContact C-N 3.35Å; I411-K413 PolarHBondContact O-N 3.47Å; I411-R414 PolarHBondContact O-N 2.75Å; I411-F415 PolarHBondContact O-N 3.36Å |
| 412 | K | 97.6 | Very high | 96.8 | Very high | 158 Ų | 158 | 77.5 Ų | 77.5 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 179.9 | -71.9 | 170.7 | -174.8 | 172.8 | 0 | 111.7 | D408 E409 R414 F415 | D408-K412 WeakPolarHBondContact O-CG 3.48Å; D408-K412 PolarHBondContact O-N 3.06Å; E409-K412 PolarHBondContact O-N 3.38Å; K412-R414 PolarHBondContact O-N 3.19Å; K412-F415 VanDerWaalsContact O-CB 3.24Å; K412-F415 WeakPolarHBondContact O-CB 3.33Å; K412-F415 PolarHBondContact O-N 2.94Å; K412-F415 VanDerWaalsContact O-N 3.15Å |
| 413 | K | 97.6 | Very high | 96.8 | Very high | 154 Ų | 154 | 75.8 Ų | 75.8 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.8 | -33.2 | 177.9 | -177.7 | -174 | 170 | -165 | 0 | 112.7 | E409 E410 I411 | E409-K413 WeakPolarHBondContact O-CB 3.4Å; E409-K413 PolarHBondContact O-N 3.08Å; E410-K413 PolarHBondContact O-N 3.29Å; E410-K413 IonicContact OE1-NZ 2.7Å; E410-K413 WeakPolarHBondContact OE2-CD 3.45Å; E410-K413 IonicContact OE2-NZ 2.74Å; E410-K413 PolarHBondContact OE2-NZ 2.8Å; I411-K413 VanDerWaalsContact C-N 3.35Å; I411-K413 PolarHBondContact O-N 3.47Å |
| 414 | R | 96.5 | Very high | 96.9 | Very high | 54 Ų | 54 | 74.9 Ų | 74.9 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 7.4 | 179.8 | -65 | -176.8 | -175.5 | -107.2 | -10.1 | 113.9 | L373 E400 E410 I411 K412 K416 | L373-R414 HydrophobicContact CD1-CB 4.31Å; L373-R414 HydrophobicContact CD2-CB 4.3Å; E400-R414 IonicContact OE1-CZ 2.92Å; E400-R414 IonicContact OE1-NH1 3.55Å; E400-R414 PolarHBondContact OE1-NH1 2.8Å; E400-R414 IonicContact OE1-NH2 3.98Å; E400-R414 PolarHBondContact OE1-NH2 2.96Å; E410-R414 WeakPolarHBondContact O-CG 3.46Å; E410-R414 PolarHBondContact O-N 2.83Å; E410-R414 VanDerWaalsContact O-N 3.15Å; E410-R414 IonicContact OE1-CZ 3.19Å; E410-R414 VanDerWaalsContact OE1-CZ 3.25Å; E410-R414 IonicContact OE1-NE 3.19Å; E410-R414 PolarHBondContact OE1-NE 2.84Å; E410-R414 IonicContact OE1-NH2 3.2Å; E410-R414 PolarHBondContact OE1-NH2 3.24Å; I411-R414 PolarHBondContact O-N 2.75Å; K412-R414 PolarHBondContact O-N 3.19Å; R414-K416 PolarHBondContact O-N 2.99Å |
| 415 | F | 96 | Very high | 96.9 | Very high | 117 Ų | 117 | 70 Ų | 70 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | trans | -61.1 | 127.2 | 177.1 | 178.5 | -92.3 | 0 | 0 | 0 | 110.4 | N374 I411 K412 M417 F665 | N374-F415 WeakPolarHBondContact ND2-CD2 3.25Å; N374-F415 WeakPolarHBondContact ND2-CE2 3.32Å; I411-F415 PolarHBondContact O-N 3.36Å; K412-F415 VanDerWaalsContact O-CB 3.24Å; K412-F415 WeakPolarHBondContact O-CB 3.33Å; K412-F415 PolarHBondContact O-N 2.94Å; K412-F415 VanDerWaalsContact O-N 3.15Å; F415-M417 HydrophobicContact CE1-CB 4.03Å; F415-M417 HydrophobicContact CZ-CB 4.46Å; F415-F665 HydrophobicContact CE2-CE1 4.36Å; F415-F665 HydrophobicContact CZ-CE1 4.02Å; F415-F665 HydrophobicContact CZ-CZ 4.39Å | ||
| 416 | K | 93.8 | Very high | 96.9 | Very high | 130 Ų | 130 | 69.4 Ų | 69.4 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | trans | -121.8 | 133.1 | 169.9 | -65.9 | -179.6 | -178.3 | 177.9 | 0 | 108.2 | N374 R414 V418 | N374-K416 WeakPolarHBondContact CB-O 3.44Å; N374-K416 PolarHBondContact ND2-O 2.79Å; R414-K416 PolarHBondContact O-N 2.99Å; K416-V418 HydrophobicContact CB-CG1 4.09Å; K416-V418 PolarHBondContact O-N 3.06Å | ||
| 417 | M | 93.5 | Very high | 96.9 | Very high | 86 Ų | 86 | 65.2 Ų | 65.2 | 42% | 0.424 | 31% | 0.314 | S | S | . | . | trans | -80.4 | 65.1 | 178.6 | -164.7 | 174.9 | -179.9 | 0 | 0 | 110.6 | F415 M657 T661 F665 I666 | F415-M417 HydrophobicContact CE1-CB 4.03Å; F415-M417 HydrophobicContact CZ-CB 4.46Å; M417-M657 HydrophobicContact CB-CE 4.39Å; M417-M657 HydrophobicContact CE-CE 3.76Å; M417-M657 HydrophobicContact CG-CE 3.71Å; M417-M657 HydrophobicContact SD-CE 3.55Å; M417-M657 VanDerWaalsContact SD-CE 3.55Å; M417-T661 WeakPolarHBondContact O-CG2 3.4Å; M417-F665 HydrophobicContact CE-CB 3.55Å; M417-F665 HydrophobicContact CE-CD1 4.43Å; M417-F665 HydrophobicContact CE-CG 4Å; M417-F665 HydrophobicContact CG-CD1 4.45Å; M417-F665 HydrophobicContact CG-CD2 4.19Å; M417-F665 HydrophobicContact CG-CE2 4.43Å; M417-F665 HydrophobicContact CG-CG 4.19Å; M417-I666 HydrophobicContact CE-CG1 4.32Å | ||
| 418 | V | 94.5 | Very high | 97 | Very high | 43 Ų | 43 | 66.8 Ų | 66.8 | 26% | 0.261 | 32% | 0.323 | S | S | . | . | trans | -126.8 | 146.9 | 176.4 | 63.7 | 0 | 0 | 0 | 0 | 108.3 | N374 D375 K416 V420 F665 | N374-V418 HydrophobicContact CB-CG1 4.09Å; N374-V418 WeakPolarHBondContact CB-O 3.45Å; D375-V418 HydrophobicContact CB-CG1 4.47Å; K416-V418 HydrophobicContact CB-CG1 4.09Å; K416-V418 PolarHBondContact O-N 3.06Å; V418-V420 HydrophobicContact CG2-CG2 4.4Å; V418-F665 WeakPolarHBondContact O-CE2 3.34Å | ||
| 419 | Y | 95.4 | Very high | 96.9 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | trans | -119.7 | 117.5 | 172.6 | 177.3 | -103 | 0 | 0 | 0 | 110.7 | P421 R660 T661 H664 | Y419-P421 HydrophobicContact CE1-CG 4.35Å; Y419-R660 HydrophobicContact CD1-CB 3.96Å; Y419-R660 HydrophobicContact CD1-CG 4.09Å; Y419-R660 WeakPolarHBondContact O-CD 3.26Å; Y419-R660 PolarHBondContact O-NE 3.4Å; Y419-T661 PolarHBondContact N-OG1 3.41Å; Y419-H664 HydrophobicContact CD1-CB 4.02Å; Y419-H664 HydrophobicContact CD2-CB 3.77Å; Y419-H664 AromaticContact CD2-CD2 3.46Å; Y419-H664 VanDerWaalsContact CD2-CD2 3.46Å; Y419-H664 WeakPolarHBondContact CD2-CD2 3.5Å; Y419-H664 AromaticContact CD2-CE1 3.61Å; Y419-H664 AromaticContact CD2-CG 3.24Å; Y419-H664 AromaticContact CD2-ND1 3.35Å; Y419-H664 VanDerWaalsContact CD2-ND1 3.35Å; Y419-H664 WeakPolarHBondContact CD2-ND1 3.37Å; Y419-H664 AromaticContact CD2-NE2 3.69Å; Y419-H664 HydrophobicContact CE2-CB 4.31Å; Y419-H664 AromaticContact CE2-CE1 3.41Å; Y419-H664 VanDerWaalsContact CE2-CE1 3.41Å; Y419-H664 WeakPolarHBondContact CE2-CE1 3.47Å; Y419-H664 AromaticContact CE2-CG 3.64Å; Y419-H664 AromaticContact CE2-ND1 3.19Å; Y419-H664 WeakPolarHBondContact CE2-ND1 3.49Å; Y419-H664 AromaticContact CE2-NE2 3.96Å; Y419-H664 HydrophobicContact CG-CB 3.59Å; Y419-H664 AromaticContact CG-CG 3.64Å; Y419-H664 AromaticContact CZ-ND1 3.81Å | ||
| 420 | V | 96.8 | Very high | 97 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | trans | -113.7 | 133 | 168.5 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | N374 K376 V418 A445 V447 | N374-V420 PolarHBondContact O-N 3.28Å; K376-V420 HydrophobicContact CB-CB 4.07Å; K376-V420 HydrophobicContact CB-CG1 3.97Å; K376-V420 WeakPolarHBondContact CE-O 3.39Å; K376-V420 HydrophobicContact CG-CB 3.83Å; K376-V420 HydrophobicContact CG-CG1 4.1Å; K376-V420 WeakPolarHBondContact CG-O 3.44Å; V418-V420 HydrophobicContact CG2-CG2 4.4Å; V420-A445 HydrophobicContact CG1-CB 3.71Å; V420-V447 HydrophobicContact CG1-CG1 4.19Å; V420-V447 HydrophobicContact CG2-CG1 4.09Å | ||
| 421 | P | 96.3 | Very high | 97 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 13% | 0.13 | 28% | 0.279 | C | S | . | . | trans | -56.2 | 144.5 | 174 | -25.7 | 35.5 | 0 | 0 | 0 | 112 | Y419 A444 | Y419-P421 HydrophobicContact CE1-CG 4.35Å; P421-A444 HydrophobicContact CB-CB 3.91Å | ||
| 422 | N | 97.3 | Very high | 97 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 47% | 0.471 | 27% | 0.274 | S | S | . | . | trans | -61.8 | 140.2 | 170.8 | -76.7 | -24.7 | 0 | 0 | 0 | 110 | K376 | K376-N422 WeakPolarHBondContact CD-OD1 3.38Å; K376-N422 WeakPolarHBondContact CE-OD1 3.41Å | ||
| 423 | W | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -142.1 | 4.5 | -179.9 | 63.9 | -82.9 | 0 | 0 | 0 | 113.3 | K376 V393 L394 L437 D441 C442 A445 L466 L470 | K376-W423 PolarHBondContact O-NE1 3.42Å; V393-W423 HydrophobicContact CG1-CH2 4.42Å; L394-W423 HydrophobicContact CD1-CH2 4.16Å; W423-L437 HydrophobicContact CE3-CD2 3.96Å; W423-L437 HydrophobicContact CZ3-CD2 3.85Å; W423-D441 VanDerWaalsContact CA-O 3.31Å; W423-D441 WeakPolarHBondContact CA-O 3.49Å; W423-D441 WeakPolarHBondContact CB-O 3.41Å; W423-C442 WeakPolarHBondContact O-CA 3.18Å; W423-A445 HydrophobicContact CB-CB 3.85Å; W423-A445 HydrophobicContact CG-CB 3.63Å; W423-L466 HydrophobicContact CD2-CB 4.08Å; W423-L466 HydrophobicContact CE3-CB 4.44Å; W423-L466 HydrophobicContact CH2-CB 4.22Å; W423-L466 HydrophobicContact CZ2-CB 3.83Å; W423-L466 HydrophobicContact CZ2-CD1 4.18Å; W423-L466 HydrophobicContact CZ3-CB 4.5Å; W423-L470 HydrophobicContact CH2-CB 4.46Å; W423-L470 HydrophobicContact CH2-CD2 3.77Å; W423-L470 HydrophobicContact CZ3-CB 4.24Å; W423-L470 HydrophobicContact CZ3-CD2 3.58Å | ||
| 424 | F | 98.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | trans | -152.5 | 162.3 | 174.6 | 66.8 | -87.4 | 0 | 0 | 0 | 109.8 | I372 K376 I379 V393 V426 I435 T436 L437 | I372-F424 HydrophobicContact CD1-CE2 3.81Å; I372-F424 HydrophobicContact CD1-CZ 4.22Å; I372-F424 HydrophobicContact CG1-CE2 4.21Å; I372-F424 HydrophobicContact CG1-CZ 4.4Å; I372-F424 HydrophobicContact CG2-CE2 4.35Å; I372-F424 HydrophobicContact CG2-CZ 3.71Å; K376-F424 HydrophobicContact CB-CE1 4.36Å; K376-F424 WeakPolarHBondContact O-CE1 3.47Å; I379-F424 HydrophobicContact CD1-CE2 4.05Å; I379-F424 HydrophobicContact CD1-CZ 4.46Å; V393-F424 HydrophobicContact CB-CZ 4.34Å; V393-F424 HydrophobicContact CG1-CD1 4.28Å; V393-F424 HydrophobicContact CG1-CD2 4.27Å; V393-F424 HydrophobicContact CG1-CE1 4.11Å; V393-F424 HydrophobicContact CG1-CE2 4.11Å; V393-F424 HydrophobicContact CG1-CG 4.35Å; V393-F424 HydrophobicContact CG1-CZ 4.01Å; V393-F424 HydrophobicContact CG2-CE2 4.17Å; V393-F424 HydrophobicContact CG2-CZ 3.93Å; F424-V426 HydrophobicContact CD2-CG2 3.81Å; F424-V426 HydrophobicContact CE2-CG2 3.54Å; F424-I435 HydrophobicContact CB-CG2 3.82Å; F424-I435 HydrophobicContact CD2-CD1 4.46Å; F424-I435 HydrophobicContact CD2-CG2 3.83Å; F424-I435 HydrophobicContact CG-CG2 4.03Å; F424-T436 WeakPolarHBondContact CA-O 3.41Å; F424-L437 HydrophobicContact CB-CD2 3.83Å | ||
| 425 | S | 98.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 42% | 0.42 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 158.5 | 168.8 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | I435 T436 | S425-I435 WeakPolarHBondContact O-CA 3.45Å; S425-T436 PolarHBondContact N-O 3.37Å; S425-T436 PolarHBondContact O-N 3.22Å; S425-T436 PolarHBondContact OG-O 2.84Å |
| 426 | V | 98.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 24% | 0.242 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.6 | -178.5 | -174 | 0 | 0 | 0 | 0 | 109.1 | I372 I379 F424 L428 L433 T434 I435 | I372-V426 HydrophobicContact CD1-CG2 3.88Å; I372-V426 HydrophobicContact CG1-CG2 4.21Å; I379-V426 HydrophobicContact CD1-CG2 3.73Å; F424-V426 HydrophobicContact CD2-CG2 3.81Å; F424-V426 HydrophobicContact CE2-CG2 3.54Å; V426-L428 HydrophobicContact CG1-CD2 4.26Å; V426-L433 HydrophobicContact CG1-CD2 3.71Å; V426-T434 WeakPolarHBondContact CA-O 3.38Å; V426-I435 HydrophobicContact CB-CD1 4.44Å; V426-I435 HydrophobicContact CG1-CD1 4.2Å; V426-I435 HydrophobicContact CG2-CD1 3.79Å |
| 427 | D | 97.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 21% | 0.214 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 147.4 | 167.7 | 87.4 | 78 | 0 | 0 | 0 | 111.5 | K429 T434 | D427-K429 VanDerWaalsContact OD1-CD 3.27Å; D427-K429 WeakPolarHBondContact OD1-CD 3.44Å; D427-K429 WeakPolarHBondContact OD1-CE 3.26Å; D427-K429 WeakPolarHBondContact OD1-CG 3.37Å; D427-K429 PolarHBondContact OD1-N 2.91Å; D427-T434 PolarHBondContact N-O 2.98Å; D427-T434 PolarHBondContact O-N 3.34Å; D427-T434 VanDerWaalsContact O-N 3.13Å; D427-T434 VanDerWaalsContact OD2-CB 3.24Å; D427-T434 WeakPolarHBondContact OD2-CB 3.39Å; D427-T434 VanDerWaalsContact OD2-CG2 3.28Å; D427-T434 WeakPolarHBondContact OD2-CG2 3.31Å |
| 428 | L | 98.5 | Very high | 97.7 | Very high | 45 Ų | 45 | 26.2 Ų | 26.2 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | trans | -115.6 | 16.8 | -178.2 | -58.4 | -177.4 | 0 | 0 | 0 | 111.9 | I367 C370 V426 T430 G431 L433 | I367-L428 HydrophobicContact CB-CD2 4.27Å; I367-L428 HydrophobicContact CG2-CD1 3.98Å; I367-L428 HydrophobicContact CG2-CD2 3.68Å; I367-L428 HydrophobicContact CG2-CG 4.44Å; C370-L428 HydrophobicContact CB-CD1 3.97Å; C370-L428 HydrophobicContact CB-CD2 4.32Å; C370-L428 HydrophobicContact CB-CG 4.48Å; V426-L428 HydrophobicContact CG1-CD2 4.26Å; L428-T430 PolarHBondContact O-N 2.87Å; L428-G431 PolarHBondContact O-N 2.99Å; L428-L433 HydrophobicContact CD2-CD2 3.89Å | ||
| 429 | K | 97.5 | Very high | 97.8 | Very high | 76 Ų | 76 | 28.2 Ų | 28.2 | 33% | 0.33 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -33.6 | -170.1 | 74.3 | -159.2 | 168.8 | 169.7 | 0 | 111.6 | N31 D76 W77 D427 G431 | N31-K429 PolarHBondContact ND2-O 2.85Å; D76-K429 WeakPolarHBondContact OD2-CD 3.43Å; D76-K429 WeakPolarHBondContact OD2-CE 3.32Å; D76-K429 IonicContact OD2-NZ 3.47Å; D76-K429 PolarHBondContact OD2-NZ 3.01Å; W77-K429 PolarHBondContact NE1-O 2.89Å; D427-K429 VanDerWaalsContact OD1-CD 3.27Å; D427-K429 WeakPolarHBondContact OD1-CD 3.44Å; D427-K429 WeakPolarHBondContact OD1-CE 3.26Å; D427-K429 WeakPolarHBondContact OD1-CG 3.37Å; D427-K429 PolarHBondContact OD1-N 2.91Å; K429-G431 VanDerWaalsContact C-N 3.3Å; K429-G431 PolarHBondContact O-N 3.26Å |
| 430 | T | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -4 | 178.6 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | D51 L428 M432 | D51-T430 VanDerWaalsContact CA-O 3.28Å; D51-T430 WeakPolarHBondContact CA-O 3.37Å; D51-T430 WeakPolarHBondContact CB-O 3.37Å; L428-T430 PolarHBondContact O-N 2.87Å; T430-M432 PolarHBondContact O-N 3.43Å; T430-M432 PolarHBondContact OG1-N 2.74Å |
| 431 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 73.5 | 5.5 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | I367 L428 K429 | I367-G431 PolarHBondContact N-O 3.18Å; L428-G431 PolarHBondContact O-N 2.99Å; K429-G431 VanDerWaalsContact C-N 3.3Å; K429-G431 PolarHBondContact O-N 3.26Å |
| 432 | M | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -119.1 | 160.7 | 172.7 | -61.6 | 174.2 | -70.2 | 0 | 0 | 109.2 | V20 R22 E26 R30 D51 T430 T434 | V20-M432 HydrophobicContact CG1-CB 4.04Å; V20-M432 HydrophobicContact CG1-CE 4.41Å; V20-M432 HydrophobicContact CG1-SD 4.42Å; R22-M432 HydrophobicContact CB-SD 4.08Å; E26-M432 HydrophobicContact CG-SD 4.02Å; R30-M432 HydrophobicContact CB-CG 3.98Å; R30-M432 HydrophobicContact CB-SD 4.35Å; R30-M432 HydrophobicContact CG-CG 4.11Å; R30-M432 HydrophobicContact CG-SD 4.1Å; D51-M432 HydrophobicContact CB-CE 4.16Å; D51-M432 WeakPolarHBondContact O-CE 3.5Å; T430-M432 PolarHBondContact O-N 3.43Å; T430-M432 PolarHBondContact OG1-N 2.74Å; M432-T434 PolarHBondContact O-N 3.3Å |
| 433 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 109.7 | 175.7 | -78.2 | 167.7 | 0 | 0 | 0 | 109.6 | V20 I21 I367 I379 T381 W391 V426 L428 | V20-L433 WeakPolarHBondContact CA-O 3.29Å; I21-L433 HydrophobicContact CB-CB 4.11Å; I21-L433 PolarHBondContact N-O 2.78Å; I367-L433 HydrophobicContact CD1-CD1 4.25Å; I367-L433 HydrophobicContact CD1-CG 3.79Å; I379-L433 HydrophobicContact CD1-CD2 4.42Å; I379-L433 HydrophobicContact CG2-CD2 4.35Å; T381-L433 HydrophobicContact CG2-CD1 3.92Å; T381-L433 HydrophobicContact CG2-CD2 3.88Å; T381-L433 HydrophobicContact CG2-CG 4.16Å; W391-L433 HydrophobicContact CB-CD1 4.24Å; W391-L433 HydrophobicContact CD2-CD1 3.54Å; W391-L433 HydrophobicContact CE3-CD1 3.89Å; W391-L433 HydrophobicContact CG-CD1 3.68Å; W391-L433 HydrophobicContact CZ2-CD1 4.45Å; W391-L433 HydrophobicContact CZ3-CD1 4.45Å; V426-L433 HydrophobicContact CG1-CD2 3.71Å; L428-L433 HydrophobicContact CD2-CD2 3.89Å |
| 434 | T | 98.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123 | 169.7 | -52.3 | 0 | 0 | 0 | 0 | 107.9 | Y19 V20 V426 D427 M432 | Y19-T434 WeakPolarHBondContact O-CA 3.37Å; V20-T434 HydrophobicContact CG2-CG2 4.25Å; V426-T434 WeakPolarHBondContact CA-O 3.38Å; D427-T434 PolarHBondContact N-O 2.98Å; D427-T434 PolarHBondContact O-N 3.34Å; D427-T434 VanDerWaalsContact O-N 3.13Å; D427-T434 VanDerWaalsContact OD2-CB 3.24Å; D427-T434 WeakPolarHBondContact OD2-CB 3.39Å; D427-T434 VanDerWaalsContact OD2-CG2 3.28Å; D427-T434 WeakPolarHBondContact OD2-CG2 3.31Å; M432-T434 PolarHBondContact O-N 3.3Å |
| 435 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.6 | -178.4 | -50.5 | -60.9 | 0 | 0 | 0 | 107.9 | S18 Y19 I21 I379 V393 F424 S425 V426 | S18-I435 CarbonylContact C-O 3.46Å; S18-I435 WeakPolarHBondContact CA-O 3.5Å; S18-I435 WeakPolarHBondContact CB-O 3.38Å; Y19-I435 HydrophobicContact CD1-CB 3.96Å; Y19-I435 HydrophobicContact CD1-CG2 4.38Å; Y19-I435 HydrophobicContact CE1-CB 3.37Å; Y19-I435 HydrophobicContact CE1-CG1 4.09Å; Y19-I435 HydrophobicContact CE1-CG2 3.46Å; Y19-I435 VanDerWaalsContact CE1-CG2 3.46Å; Y19-I435 HydrophobicContact CE2-CB 4.15Å; Y19-I435 HydrophobicContact CE2-CG1 3.97Å; Y19-I435 PolarHBondContact N-O 3.09Å; Y19-I435 PolarHBondContact O-N 3.33Å; I21-I435 HydrophobicContact CD1-CD1 4.47Å; I21-I435 HydrophobicContact CD1-CG1 4.08Å; I21-I435 HydrophobicContact CG1-CG1 4.39Å; I379-I435 HydrophobicContact CD1-CD1 4.13Å; V393-I435 HydrophobicContact CG1-CD1 4.27Å; V393-I435 HydrophobicContact CG1-CG1 4.24Å; V393-I435 HydrophobicContact CG1-CG2 4.04Å; F424-I435 HydrophobicContact CB-CG2 3.82Å; F424-I435 HydrophobicContact CD2-CD1 4.46Å; F424-I435 HydrophobicContact CD2-CG2 3.83Å; F424-I435 HydrophobicContact CG-CG2 4.03Å; S425-I435 WeakPolarHBondContact O-CA 3.45Å; V426-I435 HydrophobicContact CB-CD1 4.44Å; V426-I435 HydrophobicContact CG1-CD1 4.2Å; V426-I435 HydrophobicContact CG2-CD1 3.79Å |
| 436 | T | 98.7 | Very high | 97.5 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 9% | 0.086 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.1 | -179.4 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | Q16 S18 F424 S425 | Q16-T436 HydrophobicContact CB-CG2 3.93Å; Q16-T436 HydrophobicContact CG-CG2 4.4Å; S18-T436 WeakPolarHBondContact OG-CB 3.33Å; S18-T436 WeakPolarHBondContact OG-CG2 3.49Å; S18-T436 PolarHBondContact OG-OG1 2.78Å; F424-T436 WeakPolarHBondContact CA-O 3.41Å; S425-T436 PolarHBondContact N-O 3.37Å; S425-T436 PolarHBondContact O-N 3.22Å; S425-T436 PolarHBondContact OG-O 2.84Å |
| 437 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.5 | 176 | -51.5 | 176.3 | 0 | 0 | 0 | 109.3 | Q16 V17 W423 F424 C442 L470 L471 L474 W554 | Q16-L437 WeakPolarHBondContact CA-O 3.33Å; V17-L437 HydrophobicContact CB-CB 4.42Å; V17-L437 PolarHBondContact N-O 2.77Å; V17-L437 VanDerWaalsContact N-O 3.12Å; V17-L437 PolarHBondContact O-N 3.41Å; W423-L437 HydrophobicContact CE3-CD2 3.96Å; W423-L437 HydrophobicContact CZ3-CD2 3.85Å; F424-L437 HydrophobicContact CB-CD2 3.83Å; L437-C442 HydrophobicContact CB-CB 4.43Å; L437-L470 HydrophobicContact CD1-CD2 3.98Å; L437-L470 HydrophobicContact CD1-CG 4.45Å; L437-L470 HydrophobicContact CD2-CD2 4.15Å; L437-L471 HydrophobicContact CD1-CD2 3.67Å; L437-L471 HydrophobicContact CD1-CG 4.15Å; L437-L474 HydrophobicContact CD1-CD1 4.37Å; L437-W554 HydrophobicContact CB-CH2 4.27Å |
| 438 | D | 96.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 23.2 Ų | 23.2 | 13% | 0.134 | 13% | 0.128 | C | C | . | . | trans | -117.8 | 146.2 | 176.8 | -168 | -86.2 | 0 | 0 | 0 | 110.4 | Q16 S440 D441 C442 | Q16-D438 WeakPolarHBondContact CG-OD2 3.34Å; Q16-D438 PolarHBondContact NE2-OD2 2.71Å; D438-S440 PolarHBondContact O-N 2.93Å; D438-S440 VanDerWaalsContact O-N 3.1Å; D438-S440 WeakPolarHBondContact OD1-CB 3.34Å; D438-S440 PolarHBondContact OD1-N 3Å; D438-S440 PolarHBondContact OD1-OG 3.19Å; D438-D441 PolarHBondContact O-N 3.18Å; D438-C442 WeakPolarHBondContact O-CB 3.43Å; D438-C442 PolarHBondContact O-N 3.1Å | ||
| 439 | E | 95.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 21.2 Ų | 21.2 | 40% | 0.397 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.6 | 178.3 | -178.3 | -172 | -149.6 | 0 | 0 | 112.8 | K14 D441 W554 | K14-E439 IonicContact NZ-OE2 3.14Å; K14-E439 PolarHBondContact NZ-OE2 3.41Å; E439-D441 PolarHBondContact O-N 2.92Å; E439-W554 HydrophobicContact CB-CD2 4.04Å; E439-W554 HydrophobicContact CB-CG 4.02Å; E439-W554 HydrophobicContact CG-CB 3.97Å; E439-W554 HydrophobicContact CG-CD2 4.28Å; E439-W554 HydrophobicContact CG-CG 3.84Å |
| 440 | S | 94.2 | Very high | 96.4 | Very high | 93 Ų | 93 | 25.5 Ų | 25.5 | 65% | 0.65 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -31.4 | -173.7 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | D438 | D438-S440 PolarHBondContact O-N 2.93Å; D438-S440 VanDerWaalsContact O-N 3.1Å; D438-S440 WeakPolarHBondContact OD1-CB 3.34Å; D438-S440 PolarHBondContact OD1-N 3Å; D438-S440 PolarHBondContact OD1-OG 3.19Å |
| 441 | D | 95.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 31.4 Ų | 31.4 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | -11.4 | -172.8 | 65.9 | -6.4 | 0 | 0 | 0 | 114.7 | W423 D438 E439 F443 A444 | W423-D441 VanDerWaalsContact CA-O 3.31Å; W423-D441 WeakPolarHBondContact CA-O 3.49Å; W423-D441 WeakPolarHBondContact CB-O 3.41Å; D438-D441 PolarHBondContact O-N 3.18Å; E439-D441 PolarHBondContact O-N 2.92Å; D441-F443 PolarHBondContact O-N 2.93Å; D441-A444 VanDerWaalsContact O-CB 3.25Å; D441-A444 WeakPolarHBondContact O-CB 3.43Å; D441-A444 PolarHBondContact O-N 3.5Å |
| 442 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -34.2 | -178.1 | -179.8 | 0 | 0 | 0 | 0 | 113.4 | W423 L437 D438 G467 W554 | W423-C442 WeakPolarHBondContact O-CA 3.18Å; L437-C442 HydrophobicContact CB-CB 4.43Å; D438-C442 WeakPolarHBondContact O-CB 3.43Å; D438-C442 PolarHBondContact O-N 3.1Å; C442-G467 WeakPolarHBondContact O-CA 3.24Å; C442-W554 HydrophobicContact CB-CH2 4.27Å; C442-W554 HydrophobicContact CB-CZ3 3.89Å |
| 443 | F | 97.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 16% | 0.158 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 9.8 | -177.1 | -52.9 | -49.7 | 0 | 0 | 0 | 114.5 | D441 A445 N465 L471 W554 I558 P565 | D441-F443 PolarHBondContact O-N 2.93Å; F443-A445 VanDerWaalsContact C-N 3.32Å; F443-A445 PolarHBondContact O-N 3.15Å; F443-N465 WeakPolarHBondContact CD1-OD1 3.13Å; F443-N465 PolarHBondContact O-ND2 2.83Å; F443-L471 HydrophobicContact CE1-CD1 3.73Å; F443-L471 HydrophobicContact CZ-CD1 3.82Å; F443-W554 HydrophobicContact CE1-CZ3 4.38Å; F443-W554 AromaticContact CE2-CE3 3.57Å; F443-W554 HydrophobicContact CE2-CE3 3.57Å; F443-W554 HydrophobicContact CE2-CZ3 4.03Å; F443-W554 AromaticContact CZ-CE3 3.46Å; F443-W554 HydrophobicContact CZ-CE3 3.46Å; F443-W554 VanDerWaalsContact CZ-CE3 3.46Å; F443-W554 AromaticContact CZ-CZ3 3.62Å; F443-W554 HydrophobicContact CZ-CZ3 3.62Å; F443-I558 HydrophobicContact CD1-CG1 4.49Å; F443-I558 HydrophobicContact CE1-CD1 4.41Å; F443-I558 HydrophobicContact CE1-CG1 3.63Å; F443-I558 HydrophobicContact CE2-CG1 4.07Å; F443-I558 HydrophobicContact CZ-CB 4.48Å; F443-I558 HydrophobicContact CZ-CD1 4.2Å; F443-I558 HydrophobicContact CZ-CG1 3.36Å; F443-P565 HydrophobicContact CB-CB 3.92Å; F443-P565 HydrophobicContact CB-CG 3.79Å; F443-P565 HydrophobicContact CD1-CG 4.21Å; F443-P565 HydrophobicContact CG-CB 4.27Å; F443-P565 HydrophobicContact CG-CG 4.02Å |
| 444 | A | 96.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 36 Ų | 36 | 21% | 0.207 | 21% | 0.208 | C | C | . | . | trans | -71.3 | -25.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P421 D441 W446 N568 | P421-A444 HydrophobicContact CB-CB 3.91Å; D441-A444 VanDerWaalsContact O-CB 3.25Å; D441-A444 WeakPolarHBondContact O-CB 3.43Å; D441-A444 PolarHBondContact O-N 3.5Å; A444-W446 PolarHBondContact O-N 3.28Å; A444-N568 PolarHBondContact O-ND2 3.5Å; A444-N568 VanDerWaalsContact O-ND2 3.08Å | ||
| 445 | A | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -94.7 | 96.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V420 W423 F443 L466 | V420-A445 HydrophobicContact CG1-CB 3.71Å; W423-A445 HydrophobicContact CB-CB 3.85Å; W423-A445 HydrophobicContact CG-CB 3.63Å; F443-A445 VanDerWaalsContact C-N 3.32Å; F443-A445 PolarHBondContact O-N 3.15Å; A445-L466 HydrophobicContact CB-CB 4.3Å; A445-L466 HydrophobicContact CB-CD1 4.13Å; A445-L466 HydrophobicContact CB-CG 4.33Å; A445-L466 PolarHBondContact O-N 3.33Å | ||
| 446 | W | 96.1 | Very high | 93 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 2% | 0.023 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.3 | 164.3 | -70 | 89.6 | 0 | 0 | 0 | 111 | A444 K463 L464 N465 M564 P565 K566 F567 M595 R660 | A444-W446 PolarHBondContact O-N 3.28Å; W446-K463 HydrophobicContact CE3-CB 4.1Å; W446-K463 HydrophobicContact CZ3-CB 4.45Å; W446-K463 WeakPolarHBondContact CZ3-O 3.29Å; W446-L464 CarbonylContact C-O 3.54Å; W446-L464 WeakPolarHBondContact CA-O 3.47Å; W446-N465 HydrophobicContact CD2-CB 4.06Å; W446-N465 VanDerWaalsContact CE2-ND2 3.35Å; W446-N465 HydrophobicContact CE3-CB 4.01Å; W446-N465 HydrophobicContact CH2-CB 3.96Å; W446-N465 HydrophobicContact CZ2-CB 3.94Å; W446-N465 HydrophobicContact CZ3-CB 3.98Å; W446-N465 PolarHBondContact NE1-ND2 2.71Å; W446-M564 HydrophobicContact CH2-CB 4.46Å; W446-M564 HydrophobicContact CH2-CE 3.79Å; W446-M564 HydrophobicContact CZ3-CE 4.1Å; W446-P565 HydrophobicContact CZ2-CB 4.31Å; W446-P565 HydrophobicContact CZ2-CG 3.69Å; W446-P565 WeakPolarHBondContact CZ2-O 3.28Å; W446-K566 PolarHBondContact NE1-O 3.16Å; W446-F567 AromaticContact CD2-CD1 3.76Å; W446-F567 HydrophobicContact CD2-CD1 3.76Å; W446-F567 AromaticContact CD2-CE1 3.7Å; W446-F567 HydrophobicContact CD2-CE1 3.7Å; W446-F567 AromaticContact CE2-CD1 3.97Å; W446-F567 HydrophobicContact CE3-CD1 4Å; W446-F567 AromaticContact CE3-CE1 3.43Å; W446-F567 HydrophobicContact CE3-CE1 3.43Å; W446-F567 VanDerWaalsContact CE3-CE1 3.43Å; W446-F567 HydrophobicContact CE3-CZ 4.33Å; W446-F567 HydrophobicContact CG-CD1 4.1Å; W446-F567 HydrophobicContact CG-CE1 4.39Å; W446-F567 HydrophobicContact CH2-CE1 4.01Å; W446-F567 HydrophobicContact CH2-CZ 4.32Å; W446-F567 HydrophobicContact CZ2-CD1 4.38Å; W446-F567 HydrophobicContact CZ2-CE1 4.29Å; W446-F567 HydrophobicContact CZ3-CD1 4.37Å; W446-F567 AromaticContact CZ3-CE1 3.58Å; W446-F567 HydrophobicContact CZ3-CE1 3.58Å; W446-F567 HydrophobicContact CZ3-CZ 4.05Å; W446-M595 HydrophobicContact CB-CE 3.52Å; W446-M595 HydrophobicContact CB-CG 4.4Å; W446-M595 HydrophobicContact CB-SD 3.43Å; W446-M595 WeakPolarHBondContact CB-SD 3.45Å; W446-M595 HydrophobicContact CG-CE 4.26Å; W446-M595 VanDerWaalsContact O-SD 3.38Å; W446-R660 VanDerWaalsContact O-CZ 3.3Å; W446-R660 PolarHBondContact O-NH1 3.08Å; W446-R660 PolarHBondContact O-NH2 3.26Å |
| 447 | V | 94.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 159.3 | 177 | -64.8 | 0 | 0 | 0 | 0 | 109.9 | V420 A452 K463 L464 L466 | V420-V447 HydrophobicContact CG1-CG1 4.19Å; V420-V447 HydrophobicContact CG2-CG1 4.09Å; V447-A452 HydrophobicContact CG2-CB 3.97Å; V447-K463 CarbonylContact O-C 3.51Å; V447-K463 WeakPolarHBondContact O-CA 3.44Å; V447-L464 HydrophobicContact CG2-CB 4.47Å; V447-L464 PolarHBondContact N-O 3.3Å; V447-L464 PolarHBondContact O-N 3.4Å; V447-L466 HydrophobicContact CG1-CD1 4.31Å; V447-L466 HydrophobicContact CG2-CD1 4.4Å; V447-L466 HydrophobicContact CG2-CD2 3.54Å; V447-L466 HydrophobicContact CG2-CG 3.91Å |
| 448 | S | 93 | Very high | 90.4 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 153.2 | 169.4 | 75.4 | 0 | 0 | 0 | 0 | 111.1 | K450 D451 A452 D461 | S448-K450 VanDerWaalsContact C-N 3.27Å; S448-K450 PolarHBondContact O-N 3.36Å; S448-D451 PolarHBondContact O-N 3.39Å; S448-D451 WeakPolarHBondContact OG-CB 3.42Å; S448-D451 PolarHBondContact OG-N 3.48Å; S448-D451 PolarHBondContact OG-OD2 3.27Å; S448-A452 WeakPolarHBondContact O-CB 3.21Å; S448-A452 PolarHBondContact O-N 2.73Å; S448-D461 WeakPolarHBondContact CB-OD1 3.17Å; S448-D461 WeakPolarHBondContact CB-OD2 3.37Å |
| 449 | A | 91.9 | Very high | 89.3 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | A452 G453 F454 D461 P462 L464 | A449-A452 CarbonylContact O-C 3.53Å; A449-A452 PolarHBondContact O-N 2.89Å; A449-G453 PolarHBondContact O-N 2.79Å; A449-G453 VanDerWaalsContact O-N 3.13Å; A449-F454 CarbonylContact C-O 3.39Å; A449-F454 HydrophobicContact CB-CB 4.41Å; A449-F454 PolarHBondContact O-N 2.76Å; A449-F454 VanDerWaalsContact O-O 3.11Å; A449-D461 PolarHBondContact N-OD1 2.59Å; A449-D461 VanDerWaalsContact N-OD1 3.11Å; A449-P462 HydrophobicContact CB-CG 3.97Å; A449-P462 PolarHBondContact N-O 2.92Å; A449-L464 HydrophobicContact CB-CD1 3.78Å; A449-L464 HydrophobicContact CB-CG 4.15Å |
| 450 | K | 89.6 | Confident | 88.8 | Confident | 166 Ų | 166 | 56.2 Ų | 56.2 | 72% | 0.722 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -44.8 | 179.1 | -169.7 | 177.2 | -179.9 | 179.3 | 0 | 112.8 | S448 A452 G453 D461 | S448-K450 VanDerWaalsContact C-N 3.27Å; S448-K450 PolarHBondContact O-N 3.36Å; K450-A452 VanDerWaalsContact C-N 3.26Å; K450-A452 PolarHBondContact O-N 2.97Å; K450-G453 WeakPolarHBondContact O-CA 3.31Å; K450-G453 PolarHBondContact O-N 2.78Å; K450-D461 WeakPolarHBondContact CB-OD1 3.42Å; K450-D461 PolarHBondContact N-OD1 3.42Å |
| 451 | D | 89.2 | Confident | 88.4 | Confident | 129 Ų | 129 | 54.9 Ų | 54.9 | 69% | 0.69 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.6 | 177.2 | -62.7 | -35.1 | 0 | 0 | 0 | 111.8 | S448 G453 | S448-D451 PolarHBondContact O-N 3.39Å; S448-D451 WeakPolarHBondContact OG-CB 3.42Å; S448-D451 PolarHBondContact OG-N 3.48Å; S448-D451 PolarHBondContact OG-OD2 3.27Å; D451-G453 PolarHBondContact O-N 3.24Å |
| 452 | A | 91.1 | Very high | 88.2 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 2.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | R377 V447 S448 A449 K450 F454 | R377-A452 PolarHBondContact NH1-O 2.83Å; V447-A452 HydrophobicContact CG2-CB 3.97Å; S448-A452 WeakPolarHBondContact O-CB 3.21Å; S448-A452 PolarHBondContact O-N 2.73Å; A449-A452 CarbonylContact O-C 3.53Å; A449-A452 PolarHBondContact O-N 2.89Å; K450-A452 VanDerWaalsContact C-N 3.26Å; K450-A452 PolarHBondContact O-N 2.97Å; A452-F454 VanDerWaalsContact C-N 3.29Å; A452-F454 HydrophobicContact CB-CD2 3.65Å; A452-F454 HydrophobicContact CB-CE2 3.89Å; A452-F454 PolarHBondContact O-N 3.09Å |
| 453 | G | 91.1 | Very high | 88 | Confident | 67 Ų | 67 | 58.8 Ų | 58.8 | 69% | 0.691 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 29.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | A449 K450 D451 | A449-G453 PolarHBondContact O-N 2.79Å; A449-G453 VanDerWaalsContact O-N 3.13Å; K450-G453 WeakPolarHBondContact O-CA 3.31Å; K450-G453 PolarHBondContact O-N 2.78Å; D451-G453 PolarHBondContact O-N 3.24Å |
| 454 | F | 91.5 | Very high | 87.9 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 10% | 0.101 | 36% | 0.362 | C | S | . | . | trans | -106.5 | 135.4 | 169.4 | -59.4 | -61.4 | 0 | 0 | 0 | 109.6 | L394 A449 A452 L464 Y511 F512 | L394-F454 HydrophobicContact CD2-CE2 4.08Å; L394-F454 HydrophobicContact CD2-CZ 4.1Å; A449-F454 CarbonylContact C-O 3.39Å; A449-F454 HydrophobicContact CB-CB 4.41Å; A449-F454 PolarHBondContact O-N 2.76Å; A449-F454 VanDerWaalsContact O-O 3.11Å; A452-F454 VanDerWaalsContact C-N 3.29Å; A452-F454 HydrophobicContact CB-CD2 3.65Å; A452-F454 HydrophobicContact CB-CE2 3.89Å; A452-F454 PolarHBondContact O-N 3.09Å; F454-L464 HydrophobicContact CD2-CD1 3.75Å; F454-L464 HydrophobicContact CE2-CD1 4.37Å; F454-Y511 HydrophobicContact CB-CD1 3.88Å; F454-Y511 HydrophobicContact CB-CE1 4.38Å; F454-Y511 HydrophobicContact CD1-CD1 4.28Å; F454-Y511 HydrophobicContact CD2-CD1 4.14Å; F454-Y511 AromaticContact CG-CD1 3.86Å; F454-Y511 HydrophobicContact CG-CD1 3.86Å; F454-Y511 HydrophobicContact CG-CG 4.48Å; F454-F512 HydrophobicContact CE1-CB 4.43Å; F454-F512 HydrophobicContact CE1-CD1 4.31Å; F454-F512 HydrophobicContact CE2-CD1 4.47Å; F454-F512 AromaticContact CZ-CD1 3.68Å; F454-F512 HydrophobicContact CZ-CD1 3.68Å; F454-F512 HydrophobicContact CZ-CE1 4.39Å; F454-F512 HydrophobicContact CZ-CG 4.48Å | ||
| 455 | S | 83.4 | Confident | 88 | Confident | 117 Ų | 117 | 56.2 Ų | 56.2 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | trans | -105.7 | 135.7 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 456 | S | 74.4 | Confident | 88 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | trans | -91.9 | 148.8 | 167.1 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | D458 G459 S460 | S456-D458 PolarHBondContact O-N 3.47Å; S456-G459 PolarHBondContact OG-N 3.48Å; S456-S460 WeakPolarHBondContact CB-O 3.41Å; S456-S460 PolarHBondContact OG-N 2.98Å; S456-S460 PolarHBondContact OG-O 3.06Å | ||
| 457 | S | 68.8 | Low | 88.1 | Confident | 119 Ų | 119 | 56 Ų | 56 | 83% | 0.832 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -29.2 | 173.6 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 458 | D | 73.5 | Confident | 88.2 | Confident | 138 Ų | 138 | 55.5 Ų | 55.5 | 74% | 0.738 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 7.8 | -167.7 | -53.5 | -7.2 | 0 | 0 | 0 | 112.2 | S456 S460 | S456-D458 PolarHBondContact O-N 3.47Å; D458-S460 PolarHBondContact O-N 3.18Å; D458-S460 VanDerWaalsContact O-N 3.14Å |
| 459 | G | 74.1 | Confident | 88.4 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 74% | 0.742 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 70.5 | 1.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S456 | S456-G459 PolarHBondContact OG-N 3.48Š|
| 460 | S | 84.4 | Confident | 88.7 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 47% | 0.469 | 35% | 0.348 | S | S | . | . | trans | -71.5 | 143.8 | 177.4 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | S456 D458 P462 | S456-S460 WeakPolarHBondContact CB-O 3.41Å; S456-S460 PolarHBondContact OG-N 2.98Å; S456-S460 PolarHBondContact OG-O 3.06Å; D458-S460 PolarHBondContact O-N 3.18Å; D458-S460 VanDerWaalsContact O-N 3.14Å; S460-P462 VanDerWaalsContact C-CD 3.43Å; S460-P462 WeakPolarHBondContact O-CD 3.39Å | ||
| 461 | D | 86.9 | Confident | 89.2 | Confident | 64 Ų | 64 | 47.7 Ų | 47.7 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | trans | -115.1 | 74.5 | 178.1 | 179.9 | 44.3 | 0 | 0 | 0 | 110.9 | S448 A449 K450 K463 | S448-D461 WeakPolarHBondContact CB-OD1 3.17Å; S448-D461 WeakPolarHBondContact CB-OD2 3.37Å; A449-D461 PolarHBondContact N-OD1 2.59Å; A449-D461 VanDerWaalsContact N-OD1 3.11Å; K450-D461 WeakPolarHBondContact CB-OD1 3.42Å; K450-D461 PolarHBondContact N-OD1 3.42Å; D461-K463 IonicContact OD2-NZ 3.3Å; D461-K463 PolarHBondContact OD2-NZ 3.06Å | ||
| 462 | P | 91.4 | Very high | 89.5 | Confident | 46 Ų | 46 | 42.6 Ų | 42.6 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | trans | -65 | 150.4 | -177.5 | 27.4 | -34 | 0 | 0 | 0 | 111 | A449 S460 L464 | A449-P462 HydrophobicContact CB-CG 3.97Å; A449-P462 PolarHBondContact N-O 2.92Å; S460-P462 VanDerWaalsContact C-CD 3.43Å; S460-P462 WeakPolarHBondContact O-CD 3.39Å; P462-L464 HydrophobicContact CB-CD2 4.49Å; P462-L464 HydrophobicContact CG-CD2 4.35Å | ||
| 463 | K | 92.7 | Very high | 89.9 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.5 | 173.5 | -55.2 | -50.6 | 178.6 | -162 | 0 | 109.2 | W446 V447 D461 F567 M595 | W446-K463 HydrophobicContact CE3-CB 4.1Å; W446-K463 HydrophobicContact CZ3-CB 4.45Å; W446-K463 WeakPolarHBondContact CZ3-O 3.29Å; V447-K463 CarbonylContact O-C 3.51Å; V447-K463 WeakPolarHBondContact O-CA 3.44Å; D461-K463 IonicContact OD2-NZ 3.3Å; D461-K463 PolarHBondContact OD2-NZ 3.06Å; K463-F567 HydrophobicContact CB-CE1 3.73Å; K463-F567 HydrophobicContact CB-CZ 4.12Å; K463-F567 HydrophobicContact CG-CE1 4.29Å; K463-M595 HydrophobicContact CB-CE 3.97Å; K463-M595 HydrophobicContact CD-CE 4.1Å; K463-M595 HydrophobicContact CD-SD 4.08Å; K463-M595 HydrophobicContact CG-CE 3.83Å; K463-M595 HydrophobicContact CG-SD 4.42Å |
| 464 | L | 94.9 | Very high | 90.2 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.9 | -174 | -56.9 | -176 | 0 | 0 | 0 | 110.2 | W446 V447 A449 F454 P462 L469 Y511 | W446-L464 CarbonylContact C-O 3.54Å; W446-L464 WeakPolarHBondContact CA-O 3.47Å; V447-L464 HydrophobicContact CG2-CB 4.47Å; V447-L464 PolarHBondContact N-O 3.3Å; V447-L464 PolarHBondContact O-N 3.4Å; A449-L464 HydrophobicContact CB-CD1 3.78Å; A449-L464 HydrophobicContact CB-CG 4.15Å; F454-L464 HydrophobicContact CD2-CD1 3.75Å; F454-L464 HydrophobicContact CE2-CD1 4.37Å; P462-L464 HydrophobicContact CB-CD2 4.49Å; P462-L464 HydrophobicContact CG-CD2 4.35Å; L464-L469 HydrophobicContact CB-CD1 3.88Å; L464-L469 HydrophobicContact CD1-CD1 4.01Å; L464-L469 HydrophobicContact CG-CD1 4.35Å; L464-Y511 HydrophobicContact CD1-CD1 4.28Å; L464-Y511 HydrophobicContact CD1-CE1 4.04Å; L464-Y511 HydrophobicContact CD2-CE1 4.18Å; L464-Y511 HydrophobicContact CD2-CE2 3.83Å; L464-Y511 WeakPolarHBondContact CD2-OH 3.36Å |
| 465 | N | 97.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.7 | 171.4 | -170.2 | -85.3 | 0 | 0 | 0 | 109.9 | F443 W446 G467 G468 L469 M564 P565 | F443-N465 WeakPolarHBondContact CD1-OD1 3.13Å; F443-N465 PolarHBondContact O-ND2 2.83Å; W446-N465 HydrophobicContact CD2-CB 4.06Å; W446-N465 VanDerWaalsContact CE2-ND2 3.35Å; W446-N465 HydrophobicContact CE3-CB 4.01Å; W446-N465 HydrophobicContact CH2-CB 3.96Å; W446-N465 HydrophobicContact CZ2-CB 3.94Å; W446-N465 HydrophobicContact CZ3-CB 3.98Å; W446-N465 PolarHBondContact NE1-ND2 2.71Å; N465-G467 PolarHBondContact O-N 3.02Å; N465-G468 PolarHBondContact O-N 3.11Å; N465-G468 PolarHBondContact OD1-N 3.11Å; N465-L469 WeakPolarHBondContact O-CG 3.43Å; N465-L469 PolarHBondContact O-N 3Å; N465-M564 HydrophobicContact CB-CE 3.99Å; N465-P565 HydrophobicContact CB-CG 4.31Å |
| 466 | L | 97.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | -172 | -65 | -175.2 | 0 | 0 | 0 | 112.9 | L394 W423 A445 V447 L469 L470 | L394-L466 HydrophobicContact CD1-CB 4.41Å; L394-L466 HydrophobicContact CD1-CD2 4.37Å; L394-L466 WeakPolarHBondContact CD1-O 3.16Å; L394-L466 HydrophobicContact CD2-CD2 3.91Å; W423-L466 HydrophobicContact CD2-CB 4.08Å; W423-L466 HydrophobicContact CE3-CB 4.44Å; W423-L466 HydrophobicContact CH2-CB 4.22Å; W423-L466 HydrophobicContact CZ2-CB 3.83Å; W423-L466 HydrophobicContact CZ2-CD1 4.18Å; W423-L466 HydrophobicContact CZ3-CB 4.5Å; A445-L466 HydrophobicContact CB-CB 4.3Å; A445-L466 HydrophobicContact CB-CD1 4.13Å; A445-L466 HydrophobicContact CB-CG 4.33Å; A445-L466 PolarHBondContact O-N 3.33Å; V447-L466 HydrophobicContact CG1-CD1 4.31Å; V447-L466 HydrophobicContact CG2-CD1 4.4Å; V447-L466 HydrophobicContact CG2-CD2 3.54Å; V447-L466 HydrophobicContact CG2-CG 3.91Å; L466-L469 PolarHBondContact O-N 2.94Å; L466-L470 WeakPolarHBondContact O-CB 3.41Å; L466-L470 PolarHBondContact O-N 3.22Å |
| 467 | G | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C442 N465 L470 L471 | C442-G467 WeakPolarHBondContact O-CA 3.24Å; N465-G467 PolarHBondContact O-N 3.02Å; G467-L470 PolarHBondContact O-N 3Å; G467-L471 WeakPolarHBondContact O-CG 3.28Å; G467-L471 PolarHBondContact O-N 3.48Å |
| 468 | G | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N465 L470 L471 Q472 | N465-G468 PolarHBondContact O-N 3.11Å; N465-G468 PolarHBondContact OD1-N 3.11Å; G468-L470 VanDerWaalsContact C-N 3.31Å; G468-L470 PolarHBondContact O-N 3.24Å; G468-L471 PolarHBondContact O-N 2.8Å; G468-Q472 WeakPolarHBondContact O-CG 3.4Å; G468-Q472 PolarHBondContact O-N 2.76Å |
| 469 | L | 97.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.8 | -66.8 | 179.8 | 0 | 0 | 0 | 111.7 | L464 N465 L466 Q472 A473 N509 Y511 F512 | L464-L469 HydrophobicContact CB-CD1 3.88Å; L464-L469 HydrophobicContact CD1-CD1 4.01Å; L464-L469 HydrophobicContact CG-CD1 4.35Å; N465-L469 WeakPolarHBondContact O-CG 3.43Å; N465-L469 PolarHBondContact O-N 3Å; L466-L469 PolarHBondContact O-N 2.94Å; L469-Q472 PolarHBondContact O-N 2.65Å; L469-A473 PolarHBondContact O-N 3.22Å; L469-N509 HydrophobicContact CB-CB 4.41Å; L469-N509 HydrophobicContact CD2-CB 3.72Å; L469-N509 PolarHBondContact O-ND2 2.82Å; L469-Y511 HydrophobicContact CD1-CD2 4.28Å; L469-Y511 HydrophobicContact CD2-CD2 3.74Å; L469-Y511 HydrophobicContact CD2-CE2 4.05Å; L469-F512 HydrophobicContact CB-CE1 3.77Å; L469-F512 HydrophobicContact CB-CZ 4.06Å; L469-F512 HydrophobicContact CD1-CE1 4.3Å |
| 470 | L | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 179.1 | -178.8 | 60.9 | 0 | 0 | 0 | 112.1 | Y19 L394 W423 L437 L466 G467 G468 Q472 A473 L474 F512 V514 | Y19-L470 HydrophobicContact CE1-CD1 4.5Å; Y19-L470 HydrophobicContact CE1-CD2 3.57Å; Y19-L470 HydrophobicContact CE1-CG 4.43Å; Y19-L470 WeakPolarHBondContact OH-CD2 3.34Å; L394-L470 HydrophobicContact CD1-CB 4.13Å; L394-L470 WeakPolarHBondContact O-CD1 3.3Å; W423-L470 HydrophobicContact CH2-CB 4.46Å; W423-L470 HydrophobicContact CH2-CD2 3.77Å; W423-L470 HydrophobicContact CZ3-CB 4.24Å; W423-L470 HydrophobicContact CZ3-CD2 3.58Å; L437-L470 HydrophobicContact CD1-CD2 3.98Å; L437-L470 HydrophobicContact CD1-CG 4.45Å; L437-L470 HydrophobicContact CD2-CD2 4.15Å; L466-L470 WeakPolarHBondContact O-CB 3.41Å; L466-L470 PolarHBondContact O-N 3.22Å; G467-L470 PolarHBondContact O-N 3Å; G468-L470 VanDerWaalsContact C-N 3.31Å; G468-L470 PolarHBondContact O-N 3.24Å; L470-Q472 VanDerWaalsContact C-N 3.27Å; L470-Q472 PolarHBondContact O-N 3.01Å; L470-A473 PolarHBondContact O-N 3.22Å; L470-A473 VanDerWaalsContact O-N 3.09Å; L470-L474 HydrophobicContact CD1-CD1 4.38Å; L470-L474 HydrophobicContact CD1-CD2 4.49Å; L470-L474 HydrophobicContact CD1-CG 4.16Å; L470-L474 HydrophobicContact CG-CD1 4.02Å; L470-L474 HydrophobicContact CG-CG 4.25Å; L470-L474 WeakPolarHBondContact O-CG 3.4Å; L470-L474 PolarHBondContact O-N 2.94Å; L470-F512 HydrophobicContact CD1-CE2 4.49Å; L470-V514 HydrophobicContact CD1-CG1 4.06Å |
| 471 | L | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.1 | -40.4 | 178.1 | -71.7 | 172.6 | 0 | 0 | 0 | 112 | V17 L437 F443 G467 G468 A473 L474 L475 W554 V555 T559 | V17-L471 HydrophobicContact CB-CD2 4.28Å; V17-L471 HydrophobicContact CG1-CD2 4.25Å; V17-L471 HydrophobicContact CG2-CD2 4.16Å; L437-L471 HydrophobicContact CD1-CD2 3.67Å; L437-L471 HydrophobicContact CD1-CG 4.15Å; F443-L471 HydrophobicContact CE1-CD1 3.73Å; F443-L471 HydrophobicContact CZ-CD1 3.82Å; G467-L471 WeakPolarHBondContact O-CG 3.28Å; G467-L471 PolarHBondContact O-N 3.48Å; G468-L471 PolarHBondContact O-N 2.8Å; L471-A473 VanDerWaalsContact C-N 3.34Å; L471-L474 PolarHBondContact O-N 3.29Å; L471-L475 PolarHBondContact O-N 2.77Å; L471-L475 VanDerWaalsContact O-N 3.08Å; L471-W554 HydrophobicContact CD1-CE3 4.38Å; L471-W554 HydrophobicContact CD1-CH2 4.35Å; L471-W554 HydrophobicContact CD1-CZ3 3.69Å; L471-W554 HydrophobicContact CD2-CH2 4.49Å; L471-V555 HydrophobicContact CD1-CG1 4.37Å; L471-V555 HydrophobicContact CD1-CG2 4.24Å; L471-V555 HydrophobicContact CD2-CG1 4.2Å; L471-V555 HydrophobicContact CD2-CG2 4.18Å; L471-T559 HydrophobicContact CB-CG2 3.69Å |
| 472 | Q | 97.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 25 Ų | 25 | 10% | 0.103 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.8 | -36.4 | 175.8 | -72.3 | 176.1 | -2.3 | 0 | 0 | 112.4 | G468 L469 L470 L475 E476 N509 I558 T559 | G468-Q472 WeakPolarHBondContact O-CG 3.4Å; G468-Q472 PolarHBondContact O-N 2.76Å; L469-Q472 PolarHBondContact O-N 2.65Å; L470-Q472 VanDerWaalsContact C-N 3.27Å; L470-Q472 PolarHBondContact O-N 3.01Å; Q472-L475 CarbonylContact O-C 3.39Å; Q472-E476 WeakPolarHBondContact O-CA 3.42Å; Q472-E476 PolarHBondContact O-N 2.85Å; Q472-E476 VanDerWaalsContact O-N 3.08Å; Q472-N509 HydrophobicContact CB-CB 3.89Å; Q472-N509 VanDerWaalsContact OE1-CB 3.24Å; Q472-I558 PolarHBondContact NE2-O 3.37Å; Q472-I558 VanDerWaalsContact NE2-O 3.11Å; Q472-T559 HydrophobicContact CG-CG2 4.18Å |
| 473 | A | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.7 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L469 L470 L471 L475 E476 F512 V514 | L469-A473 PolarHBondContact O-N 3.22Å; L470-A473 PolarHBondContact O-N 3.22Å; L470-A473 VanDerWaalsContact O-N 3.09Å; L471-A473 VanDerWaalsContact C-N 3.34Å; A473-L475 VanDerWaalsContact C-N 3.26Å; A473-L475 PolarHBondContact O-N 3.06Å; A473-E476 VanDerWaalsContact O-CB 3.3Å; A473-E476 WeakPolarHBondContact O-CB 3.3Å; A473-E476 PolarHBondContact O-N 2.96Å; A473-F512 HydrophobicContact CB-CD2 4.2Å; A473-F512 HydrophobicContact CB-CE2 3.61Å; A473-F512 HydrophobicContact CB-CZ 4.25Å; A473-V514 HydrophobicContact CB-CG1 3.92Å; A473-V514 HydrophobicContact CB-CG2 4.44Å |
| 474 | L | 98.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -33.7 | 178.2 | -67.9 | 172.8 | 0 | 0 | 0 | 112.2 | V17 Y19 L437 L470 L471 V514 T518 V520 C535 | V17-L474 HydrophobicContact CG1-CD1 4.27Å; Y19-L474 HydrophobicContact CD1-CD1 3.95Å; Y19-L474 HydrophobicContact CD1-CD2 4.22Å; Y19-L474 HydrophobicContact CD2-CD2 4.33Å; Y19-L474 HydrophobicContact CE1-CD1 4.5Å; Y19-L474 HydrophobicContact CG-CD1 4.42Å; Y19-L474 HydrophobicContact CG-CD2 3.9Å; L437-L474 HydrophobicContact CD1-CD1 4.37Å; L470-L474 HydrophobicContact CD1-CD1 4.38Å; L470-L474 HydrophobicContact CD1-CD2 4.49Å; L470-L474 HydrophobicContact CD1-CG 4.16Å; L470-L474 HydrophobicContact CG-CD1 4.02Å; L470-L474 HydrophobicContact CG-CG 4.25Å; L470-L474 WeakPolarHBondContact O-CG 3.4Å; L470-L474 PolarHBondContact O-N 2.94Å; L471-L474 PolarHBondContact O-N 3.29Å; L474-V514 HydrophobicContact CD2-CG1 4.31Å; L474-V514 HydrophobicContact CD2-CG2 4.31Å; L474-T518 HydrophobicContact CD2-CG2 4.36Å; L474-V520 HydrophobicContact CB-CG2 4.27Å; L474-V520 HydrophobicContact CD2-CG2 4.08Å; L474-C535 PolarHBondContact O-SG 3.15Å |
| 475 | L | 97.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 23.7 | 179.7 | -65.6 | 177.2 | 0 | 0 | 0 | 113.4 | L471 Q472 A473 F477 W478 T481 F522 L547 V551 V555 T559 | L471-L475 PolarHBondContact O-N 2.77Å; L471-L475 VanDerWaalsContact O-N 3.08Å; Q472-L475 CarbonylContact O-C 3.39Å; A473-L475 VanDerWaalsContact C-N 3.26Å; A473-L475 PolarHBondContact O-N 3.06Å; L475-F477 VanDerWaalsContact C-N 3.26Å; L475-F477 PolarHBondContact O-N 3.25Å; L475-W478 HydrophobicContact CB-CB 4.41Å; L475-W478 HydrophobicContact CB-CE3 4.43Å; L475-W478 HydrophobicContact CD1-CE3 4.02Å; L475-W478 HydrophobicContact CD1-CZ3 4.25Å; L475-W478 WeakPolarHBondContact O-CB 3.42Å; L475-W478 PolarHBondContact O-N 3.26Å; L475-W478 VanDerWaalsContact O-N 3.13Å; L475-T481 HydrophobicContact CB-CG2 4.22Å; L475-T481 PolarHBondContact O-OG1 2.84Å; L475-T481 VanDerWaalsContact O-OG1 3.06Å; L475-F522 HydrophobicContact CD1-CZ 4.49Å; L475-F522 HydrophobicContact CD2-CZ 4.16Å; L475-L547 HydrophobicContact CD2-CD1 4.41Å; L475-L547 HydrophobicContact CD2-CD2 4.02Å; L475-V551 HydrophobicContact CD1-CG1 4.41Å; L475-V551 HydrophobicContact CD1-CG2 4.47Å; L475-V555 HydrophobicContact CD1-CG1 3.82Å; L475-T559 HydrophobicContact CD1-CG2 4.35Å |
| 476 | E | 96.5 | Very high | 88.6 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -36 | -177.2 | 174.9 | 174.9 | 179.2 | 0 | 0 | 112.8 | Q472 A473 K507 Q513 | Q472-E476 WeakPolarHBondContact O-CA 3.42Å; Q472-E476 PolarHBondContact O-N 2.85Å; Q472-E476 VanDerWaalsContact O-N 3.08Å; A473-E476 VanDerWaalsContact O-CB 3.3Å; A473-E476 WeakPolarHBondContact O-CB 3.3Å; A473-E476 PolarHBondContact O-N 2.96Å; E476-K507 HydrophobicContact CG-CB 4.4Å; E476-Q513 PolarHBondContact OE1-NE2 2.95Å; E476-Q513 WeakPolarHBondContact OE2-CG 3.34Å |
| 477 | F | 96.3 | Very high | 86.3 | Confident | 64 Ų | 64 | 41 Ų | 41 | 28% | 0.281 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.8 | -177.9 | -63.8 | -86.9 | 0 | 0 | 0 | 113.4 | L475 P479 C535 | L475-F477 VanDerWaalsContact C-N 3.26Å; L475-F477 PolarHBondContact O-N 3.25Å; F477-P479 WeakPolarHBondContact O-CD 2.94Å; F477-C535 WeakPolarHBondContact CD2-O 3.44Å |
| 478 | W | 96.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -72 | 118 | -179.8 | -173.9 | 30.4 | 0 | 0 | 0 | 110.3 | L475 R480 T481 S544 L547 N548 V551 V560 | L475-W478 HydrophobicContact CB-CB 4.41Å; L475-W478 HydrophobicContact CB-CE3 4.43Å; L475-W478 HydrophobicContact CD1-CE3 4.02Å; L475-W478 HydrophobicContact CD1-CZ3 4.25Å; L475-W478 WeakPolarHBondContact O-CB 3.42Å; L475-W478 PolarHBondContact O-N 3.26Å; L475-W478 VanDerWaalsContact O-N 3.13Å; W478-R480 HydrophobicContact CD2-CB 4.05Å; W478-R480 HydrophobicContact CG-CB 4.46Å; W478-R480 HydrophobicContact CZ2-CB 4Å; W478-R480 HydrophobicContact CZ2-CG 4.43Å; W478-R480 PolarHBondContact O-N 3.44Å; W478-T481 HydrophobicContact CB-CG2 4.15Å; W478-T481 HydrophobicContact CD2-CG2 4.13Å; W478-T481 HydrophobicContact CE3-CG2 3.47Å; W478-T481 VanDerWaalsContact CE3-CG2 3.47Å; W478-T481 HydrophobicContact CG-CG2 4.44Å; W478-T481 HydrophobicContact CZ3-CG2 4.24Å; W478-T481 PolarHBondContact O-N 3.26Å; W478-T481 PolarHBondContact O-OG1 3.37Å; W478-S544 PolarHBondContact NE1-OG 2.79Å; W478-L547 HydrophobicContact CB-CD1 4.07Å; W478-L547 HydrophobicContact CD2-CB 4.23Å; W478-L547 HydrophobicContact CD2-CD1 3.97Å; W478-L547 HydrophobicContact CG-CD1 3.62Å; W478-L547 HydrophobicContact CH2-CB 4.45Å; W478-L547 HydrophobicContact CZ2-CB 3.79Å; W478-N548 WeakPolarHBondContact CZ2-OD1 3.39Å; W478-V551 HydrophobicContact CH2-CB 4.21Å; W478-V551 HydrophobicContact CH2-CG1 4.4Å; W478-V551 HydrophobicContact CH2-CG2 4.16Å; W478-V551 HydrophobicContact CZ3-CB 4.38Å; W478-V551 HydrophobicContact CZ3-CG1 4.18Å; W478-V551 HydrophobicContact CZ3-CG2 4.16Å; W478-V560 HydrophobicContact CH2-CG2 4.39Å; W478-V560 HydrophobicContact CZ3-CG2 3.98Å | ||
| 479 | P | 94.3 | Very high | 81.1 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -60.2 | -27.5 | -171.6 | -28.2 | 37.5 | 0 | 0 | 0 | 114.3 | F477 T481 R482 | F477-P479 WeakPolarHBondContact O-CD 2.94Å; P479-T481 PolarHBondContact O-N 2.89Å; P479-R482 WeakPolarHBondContact O-CB 3.37Å; P479-R482 PolarHBondContact O-N 2.83Å |
| 480 | R | 93.9 | Very high | 78.4 | Confident | 115 Ų | 115 | 63 Ų | 63 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -68.6 | -16.6 | 179.5 | -166.1 | 173.3 | 175.3 | -171.9 | -5.9 | 113.8 | W478 N548 V560 | W478-R480 HydrophobicContact CD2-CB 4.05Å; W478-R480 HydrophobicContact CG-CB 4.46Å; W478-R480 HydrophobicContact CZ2-CB 4Å; W478-R480 HydrophobicContact CZ2-CG 4.43Å; W478-R480 PolarHBondContact O-N 3.44Å; R480-N548 VanDerWaalsContact CD-OD1 3.24Å; R480-N548 WeakPolarHBondContact CD-OD1 3.31Å; R480-N548 PolarHBondContact NH1-OD1 2.82Å; R480-V560 HydrophobicContact CG-CG1 4.13Å; R480-V560 HydrophobicContact CG-CG2 4.07Å |
| 481 | T | 92.4 | Very high | 75.5 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -89.8 | -5.1 | 178.9 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | L475 W478 P479 T559 V560 K562 | L475-T481 HydrophobicContact CB-CG2 4.22Å; L475-T481 PolarHBondContact O-OG1 2.84Å; L475-T481 VanDerWaalsContact O-OG1 3.06Å; W478-T481 HydrophobicContact CB-CG2 4.15Å; W478-T481 HydrophobicContact CD2-CG2 4.13Å; W478-T481 HydrophobicContact CE3-CG2 3.47Å; W478-T481 VanDerWaalsContact CE3-CG2 3.47Å; W478-T481 HydrophobicContact CG-CG2 4.44Å; W478-T481 HydrophobicContact CZ3-CG2 4.24Å; W478-T481 PolarHBondContact O-N 3.26Å; W478-T481 PolarHBondContact O-OG1 3.37Å; P479-T481 PolarHBondContact O-N 2.89Å; T481-T559 WeakPolarHBondContact CB-O 3.27Å; T481-V560 HydrophobicContact CG2-CG2 4.18Å; T481-K562 PolarHBondContact O-NZ 3.48Å |
| 482 | R | 86.8 | Confident | 72.6 | Confident | 92 Ų | 92 | 78.7 Ų | 78.7 | 35% | 0.347 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 132.1 | -179.9 | -61.9 | -177.8 | -172.4 | 175.5 | 7.5 | 109.9 | P479 V505 | P479-R482 WeakPolarHBondContact O-CB 3.37Å; P479-R482 PolarHBondContact O-N 2.83Å; R482-V505 HydrophobicContact CB-CG1 3.66Å; R482-V505 HydrophobicContact CG-CG1 4.06Å |
| 483 | I | 69.1 | Low | 69.6 | Low | 49 Ų | 49 | 83.8 Ų | 83.8 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 126.5 | 173.2 | -57.5 | 172.6 | 0 | 0 | 0 | 107.7 | K562 | I483-K562 HydrophobicContact CD1-CG 4.17Š|
| 484 | N | 58.8 | Low | 66.6 | Low | 98 Ų | 98 | 90 Ų | 90 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 131.2 | 167.6 | -83 | -19 | 0 | 0 | 0 | 108.4 | M486 D487 | N484-M486 PolarHBondContact O-N 2.84Å; N484-D487 PolarHBondContact O-N 3.3Å |
| 485 | P | 48.2 | Very low | 63.6 | Low | 51 Ų | 51 | 98.8 Ų | 98.8 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -63.3 | -7.6 | -179.3 | 21.6 | -30.3 | 0 | 0 | 0 | 114.6 | N503 | P485-N503 HydrophobicContact CG-CB 4.27Š|
| 486 | M | 47.9 | Very low | 60.7 | Low | 149 Ų | 149 | 103.4 Ų | 103.4 | 73% | 0.734 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -81.1 | -15.6 | 176 | -63.4 | -162.4 | 97.4 | 0 | 0 | 114.2 | N484 E488 | N484-M486 PolarHBondContact O-N 2.84Å; M486-E488 VanDerWaalsContact C-N 3.32Å |
| 487 | D | 49.2 | Very low | 57.7 | Low | 132 Ų | 132 | 109.1 Ų | 109.1 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -84.5 | -5.3 | -179.4 | -66 | -35.4 | 0 | 0 | 0 | 112.9 | N484 | N484-D487 PolarHBondContact O-N 3.3Š|
| 488 | E | 45.6 | Very low | 54.6 | Low | 131 Ų | 131 | 113.9 Ų | 113.9 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -92.4 | -16.8 | 175.9 | -71.9 | -175.5 | 167.6 | 0 | 0 | 113.4 | M486 E490 N491 | M486-E488 VanDerWaalsContact C-N 3.32Å; E488-E490 VanDerWaalsContact C-N 3.26Å; E488-E490 PolarHBondContact O-N 3Å; E488-N491 PolarHBondContact O-N 3.4Å |
| 489 | E | 41.6 | Very low | 51.4 | Low | 153 Ų | 153 | 117.1 Ų | 117.1 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -9.1 | -176.6 | -75.3 | -171.4 | 166.7 | 0 | 0 | 114.5 | N491 | E489-N491 VanDerWaalsContact C-N 3.34Š|
| 490 | E | 40.3 | Very low | 48.6 | Very low | 186 Ų | 186 | 124.4 Ų | 124.4 | 87% | 0.869 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -6.1 | 176 | -79.2 | -166.4 | 162.8 | 0 | 0 | 114.4 | E488 | E488-E490 VanDerWaalsContact C-N 3.26Å; E488-E490 PolarHBondContact O-N 3Å |
| 491 | N | 38.2 | Very low | 45.9 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 83% | 0.834 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -120 | -2.3 | -176.7 | -85.8 | -34.3 | 0 | 0 | 0 | 117.4 | E488 E489 | E488-N491 PolarHBondContact O-N 3.4Å; E489-N491 VanDerWaalsContact C-N 3.34Å |
| 492 | E | 36.5 | Very low | 43.2 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | trans | -132.4 | 95 | 173.1 | -72.2 | -166.4 | 167.1 | 0 | 0 | 112.3 | ||||
| 493 | V | 35.1 | Very low | 41 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 78% | 0.782 | 72% | 0.722 | S | S | * | * | trans | -77.2 | 120.5 | 165.1 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 494 | N | 34.6 | Very low | 40.3 | Very low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 96.8 | 93.5 | 167.3 | -55.1 | -39.3 | 0 | 0 | 0 | 117.4 | ||||
| 495 | H | 34.8 | Very low | 40.4 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | 178.4 | 107.6 | 97.6 | -95.3 | -67.1 | 0 | 0 | 0 | 110.4 | |||||
| 496 | A | 38.7 | Very low | 41.3 | Very low | 100 Ų | 100 | 145 Ų | 145 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | -82.3 | 123 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 497 | V | 32.4 | Very low | 42.8 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -147.9 | 113.4 | 148.5 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 498 | N | 32.5 | Very low | 44.6 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | trans | 16.5 | 124.4 | 153.7 | -64.7 | -15.7 | 0 | 0 | 0 | 121.1 | ||||
| 499 | G | 29 | Very low | 46.8 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | trans | 168.9 | 128.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q501 | G499-Q501 PolarHBondContact O-N 3.29Š| ||
| 500 | E | 36 | Very low | 49.1 | Very low | 211 Ų | 211 | 127.6 Ų | 127.6 | 99% | 0.986 | 68% | 0.68 | S | S | * | * | trans | -52.1 | 99.4 | 178.4 | -62.2 | 174 | 155.2 | 0 | 0 | 111.5 | ||||
| 501 | Q | 35.3 | Very low | 51.7 | Low | 177 Ų | 177 | 123.1 Ų | 123.1 | 83% | 0.827 | 66% | 0.656 | S | S | * | * | trans | -111.2 | 107.4 | 172.9 | -122.6 | 167.2 | 7 | 0 | 0 | 107.6 | G499 N503 | G499-Q501 PolarHBondContact O-N 3.29Å; Q501-N503 PolarHBondContact O-N 3.08Å | ||
| 502 | E | 35.7 | Very low | 54.4 | Low | 154 Ų | 154 | 116.6 Ų | 116.6 | 72% | 0.72 | 62% | 0.62 | S | S | * | * | trans | -51.7 | 113.3 | 165.3 | -75 | -176.8 | 150.2 | 0 | 0 | 108.4 | R504 | E502-R504 VanDerWaalsContact C-N 3.26Å; E502-R504 PolarHBondContact O-N 2.99Å | ||
| 503 | N | 40.7 | Very low | 57.3 | Low | 130 Ų | 130 | 114.3 Ų | 114.3 | 70% | 0.695 | 61% | 0.609 | S | S | * | * | trans | -56.7 | 83.3 | 174.4 | -87.2 | -26.3 | 0 | 0 | 0 | 110.9 | P485 Q501 V505 | P485-N503 HydrophobicContact CG-CB 4.27Å; Q501-N503 PolarHBondContact O-N 3.08Å; N503-V505 PolarHBondContact O-N 2.86Å; N503-V505 VanDerWaalsContact O-N 3.11Å | ||
| 504 | R | 55.3 | Low | 60.3 | Low | 214 Ų | 214 | 108.4 Ų | 108.4 | 81% | 0.808 | 57% | 0.573 | S | S | * | * | trans | -79.6 | 93.8 | 175.3 | -75 | -175.4 | -179.8 | -177.8 | 1.6 | 108.7 | E502 Q506 | E502-R504 VanDerWaalsContact C-N 3.26Å; E502-R504 PolarHBondContact O-N 2.99Å; R504-Q506 PolarHBondContact O-N 2.87Å | ||
| 505 | V | 61.9 | Low | 63.4 | Low | 51 Ų | 51 | 103.7 Ų | 103.7 | 31% | 0.309 | 55% | 0.55 | S | S | . | . | trans | -41.9 | 115.8 | 164.8 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | R482 N503 K507 | R482-V505 HydrophobicContact CB-CG1 3.66Å; R482-V505 HydrophobicContact CG-CG1 4.06Å; N503-V505 PolarHBondContact O-N 2.86Å; N503-V505 VanDerWaalsContact O-N 3.11Å; V505-K507 PolarHBondContact O-N 2.82Å; V505-K507 VanDerWaalsContact O-N 3.14Å | ||
| 506 | Q | 66.1 | Low | 66.4 | Low | 118 Ų | 118 | 97.6 Ų | 97.6 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | trans | -66.2 | 115.7 | -178.9 | -166.4 | 171.3 | 15.3 | 0 | 0 | 108.9 | R504 | R504-Q506 PolarHBondContact O-N 2.87Š| ||
| 507 | K | 78.6 | Confident | 69.2 | Low | 113 Ų | 113 | 94.4 Ų | 94.4 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | trans | -104.7 | 138.2 | 179.3 | -69.1 | 179.3 | -175.5 | 174.9 | 0 | 109.9 | E476 V505 | E476-K507 HydrophobicContact CG-CB 4.4Å; V505-K507 PolarHBondContact O-N 2.82Å; V505-K507 VanDerWaalsContact O-N 3.14Å | ||
| 508 | G | 87.1 | Confident | 72.4 | Confident | 11 Ų | 11 | 88.3 Ų | 88.3 | 11% | 0.113 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -144.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 509 | N | 92.3 | Very high | 75.6 | Confident | 12 Ų | 12 | 80.6 Ų | 80.6 | 6% | 0.064 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -7.3 | -173.7 | 67.1 | 38.3 | 0 | 0 | 0 | 114.6 | L469 Q472 Y511 F512 | L469-N509 HydrophobicContact CB-CB 4.41Å; L469-N509 HydrophobicContact CD2-CB 3.72Å; L469-N509 PolarHBondContact O-ND2 2.82Å; Q472-N509 HydrophobicContact CB-CB 3.89Å; Q472-N509 VanDerWaalsContact OE1-CB 3.24Å; N509-Y511 VanDerWaalsContact C-N 3.33Å; N509-Y511 WeakPolarHBondContact O-CD2 3.5Å; N509-Y511 PolarHBondContact O-N 2.95Å; N509-Y511 WeakPolarHBondContact OD1-CA 3.36Å; N509-Y511 PolarHBondContact OD1-N 2.87Å; N509-F512 VanDerWaalsContact ND2-CE1 3.34Å; N509-F512 WeakPolarHBondContact ND2-CE1 3.4Å; N509-F512 WeakPolarHBondContact ND2-CZ 3.24Å; N509-F512 PolarHBondContact ND2-O 2.89Å; N509-F512 PolarHBondContact OD1-N 2.82Å; N509-F512 PolarHBondContact OD1-O 2.82Å |
| 510 | G | 91.1 | Very high | 78.9 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 66% | 0.66 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 81.8 | -6.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 511 | Y | 93.3 | Very high | 81.9 | Confident | 92 Ų | 92 | 68 Ų | 68 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -111.2 | -40.9 | -176.9 | -63.7 | -84.9 | 0 | 0 | 0 | 113.6 | F454 L464 L469 N509 | F454-Y511 HydrophobicContact CB-CD1 3.88Å; F454-Y511 HydrophobicContact CB-CE1 4.38Å; F454-Y511 HydrophobicContact CD1-CD1 4.28Å; F454-Y511 HydrophobicContact CD2-CD1 4.14Å; F454-Y511 AromaticContact CG-CD1 3.86Å; F454-Y511 HydrophobicContact CG-CD1 3.86Å; F454-Y511 HydrophobicContact CG-CG 4.48Å; L464-Y511 HydrophobicContact CD1-CD1 4.28Å; L464-Y511 HydrophobicContact CD1-CE1 4.04Å; L464-Y511 HydrophobicContact CD2-CE1 4.18Å; L464-Y511 HydrophobicContact CD2-CE2 3.83Å; L464-Y511 WeakPolarHBondContact CD2-OH 3.36Å; L469-Y511 HydrophobicContact CD1-CD2 4.28Å; L469-Y511 HydrophobicContact CD2-CD2 3.74Å; L469-Y511 HydrophobicContact CD2-CE2 4.05Å; N509-Y511 VanDerWaalsContact C-N 3.33Å; N509-Y511 WeakPolarHBondContact O-CD2 3.5Å; N509-Y511 PolarHBondContact O-N 2.95Å; N509-Y511 WeakPolarHBondContact OD1-CA 3.36Å; N509-Y511 PolarHBondContact OD1-N 2.87Å |
| 512 | F | 95.9 | Very high | 84.9 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | trans | -156.5 | 163.9 | -178.9 | 67.9 | -88.7 | 0 | 0 | 0 | 111.9 | L394 K395 F454 L469 L470 A473 N509 V514 | L394-F512 HydrophobicContact CD1-CE1 3.76Å; L394-F512 HydrophobicContact CD1-CE2 4.39Å; L394-F512 HydrophobicContact CD1-CZ 3.46Å; L394-F512 VanDerWaalsContact CD1-CZ 3.46Å; L394-F512 HydrophobicContact CD2-CD1 4.31Å; L394-F512 HydrophobicContact CD2-CE1 3.78Å; L394-F512 HydrophobicContact CD2-CZ 4.25Å; L394-F512 HydrophobicContact CG-CD1 4.28Å; L394-F512 HydrophobicContact CG-CE1 3.54Å; L394-F512 HydrophobicContact CG-CE2 4.16Å; L394-F512 HydrophobicContact CG-CZ 3.48Å; L394-F512 VanDerWaalsContact CG-CZ 3.48Å; L394-F512 WeakPolarHBondContact O-CE2 3.38Å; K395-F512 HydrophobicContact CG-CB 4.23Å; K395-F512 HydrophobicContact CG-CD2 4.29Å; K395-F512 HydrophobicContact CG-CG 4.29Å; F454-F512 HydrophobicContact CE1-CB 4.43Å; F454-F512 HydrophobicContact CE1-CD1 4.31Å; F454-F512 HydrophobicContact CE2-CD1 4.47Å; F454-F512 AromaticContact CZ-CD1 3.68Å; F454-F512 HydrophobicContact CZ-CD1 3.68Å; F454-F512 HydrophobicContact CZ-CE1 4.39Å; F454-F512 HydrophobicContact CZ-CG 4.48Å; L469-F512 HydrophobicContact CB-CE1 3.77Å; L469-F512 HydrophobicContact CB-CZ 4.06Å; L469-F512 HydrophobicContact CD1-CE1 4.3Å; L470-F512 HydrophobicContact CD1-CE2 4.49Å; A473-F512 HydrophobicContact CB-CD2 4.2Å; A473-F512 HydrophobicContact CB-CE2 3.61Å; A473-F512 HydrophobicContact CB-CZ 4.25Å; N509-F512 VanDerWaalsContact ND2-CE1 3.34Å; N509-F512 WeakPolarHBondContact ND2-CE1 3.4Å; N509-F512 WeakPolarHBondContact ND2-CZ 3.24Å; N509-F512 PolarHBondContact ND2-O 2.89Å; N509-F512 PolarHBondContact OD1-N 2.82Å; N509-F512 PolarHBondContact OD1-O 2.82Å; F512-V514 HydrophobicContact CE2-CG1 4.37Å | ||
| 513 | Q | 97.1 | Very high | 87.8 | Confident | 129 Ų | 129 | 52.8 Ų | 52.8 | 60% | 0.603 | 27% | 0.272 | S | S | * | . | trans | -118.8 | 151.7 | 170.8 | -59.6 | -177 | -38.5 | 0 | 0 | 109.5 | E476 | E476-Q513 PolarHBondContact OE1-NE2 2.95Å; E476-Q513 WeakPolarHBondContact OE2-CG 3.34Å | ||
| 514 | V | 98.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | trans | -88.2 | 155.7 | 166.9 | -65.4 | 0 | 0 | 0 | 0 | 109.6 | A396 L470 A473 L474 F512 C535 | A396-V514 HydrophobicContact CB-CB 4.15Å; A396-V514 HydrophobicContact CB-CG1 3.87Å; L470-V514 HydrophobicContact CD1-CG1 4.06Å; A473-V514 HydrophobicContact CB-CG1 3.92Å; A473-V514 HydrophobicContact CB-CG2 4.44Å; L474-V514 HydrophobicContact CD2-CG1 4.31Å; L474-V514 HydrophobicContact CD2-CG2 4.31Å; F512-V514 HydrophobicContact CE2-CG1 4.37Å; V514-C535 HydrophobicContact CG2-CB 4.38Å | ||
| 515 | P | 98.6 | Very high | 91.7 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | trans | -54.1 | 129.7 | 173.8 | -26.3 | 34.3 | 0 | 0 | 0 | 111 | K395 C397 H517 T518 | K395-P515 WeakPolarHBondContact O-CD 3.12Å; C397-P515 HydrophobicContact CB-CG 4.45Å; P515-H517 WeakPolarHBondContact CB-CE1 3.34Å; P515-H517 PolarHBondContact O-N 3.13Å; P515-H517 VanDerWaalsContact O-N 3.08Å; P515-T518 WeakPolarHBondContact O-CB 3.21Å; P515-T518 PolarHBondContact O-N 3.17Å; P515-T518 PolarHBondContact O-OG1 2.94Å | ||
| 516 | P | 98.4 | Very high | 92.4 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 38% | 0.383 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.2 | -171.9 | -22.9 | 31.9 | 0 | 0 | 0 | 114.2 | T518 R536 | P516-T518 VanDerWaalsContact C-N 3.28Å; P516-R536 HydrophobicContact CB-CB 3.83Å; P516-R536 HydrophobicContact CB-CG 4.46Å; P516-R536 WeakPolarHBondContact O-CB 3.26Å; P516-R536 WeakPolarHBondContact O-CG 3.46Å; P516-R536 PolarHBondContact O-N 3.28Å |
| 517 | H | 98.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.2 | 174.8 | 66.9 | -89.5 | 0 | 0 | 0 | 114.1 | R22 E24 P515 P519 | R22-H517 PolarHBondContact O-NE2 2.89Å; E24-H517 WeakPolarHBondContact CA-CD2 3.47Å; E24-H517 HydrophobicContact CB-CB 3.98Å; E24-H517 HydrophobicContact CG-CB 3.8Å; E24-H517 PolarHBondContact N-CD2 2.83Å; E24-H517 PolarHBondContact N-NE2 3.27Å; P515-H517 WeakPolarHBondContact CB-CE1 3.34Å; P515-H517 PolarHBondContact O-N 3.13Å; P515-H517 VanDerWaalsContact O-N 3.08Å; H517-P519 VanDerWaalsContact O-CD 3.25Å; H517-P519 WeakPolarHBondContact O-CD 3.17Å |
| 518 | T | 98.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | trans | -60.9 | 119.9 | 179.8 | -61 | 0 | 0 | 0 | 0 | 109.8 | Y19 L474 P515 P516 V520 C535 | Y19-T518 HydrophobicContact CD2-CG2 3.89Å; Y19-T518 HydrophobicContact CG-CG2 4.32Å; L474-T518 HydrophobicContact CD2-CG2 4.36Å; P515-T518 WeakPolarHBondContact O-CB 3.21Å; P515-T518 PolarHBondContact O-N 3.17Å; P515-T518 PolarHBondContact O-OG1 2.94Å; P516-T518 VanDerWaalsContact C-N 3.28Å; T518-V520 PolarHBondContact O-N 3.24Å; T518-C535 PolarHBondContact O-N 3.06Å | ||
| 519 | P | 98.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.1 | 173.8 | -18.3 | 32.4 | 0 | 0 | 0 | 110.4 | Y19 V20 H517 L533 L534 | Y19-P519 WeakPolarHBondContact CA-O 3.42Å; Y19-P519 VanDerWaalsContact CB-O 3.29Å; Y19-P519 WeakPolarHBondContact CB-O 3.48Å; V20-P519 HydrophobicContact CB-CG 4.33Å; V20-P519 PolarHBondContact N-O 3.23Å; H517-P519 VanDerWaalsContact O-CD 3.25Å; H517-P519 WeakPolarHBondContact O-CD 3.17Å; P519-L533 CarbonylContact C-O 3.58Å; P519-L533 WeakPolarHBondContact CA-O 3.47Å; P519-L534 HydrophobicContact CB-CD2 4.3Å; P519-L534 HydrophobicContact CG-CD2 4.12Å |
| 520 | V | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132 | 172.9 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | V17 L474 T518 F522 R532 L533 C535 | V17-V520 HydrophobicContact CG1-CG1 4.2Å; L474-V520 HydrophobicContact CB-CG2 4.27Å; L474-V520 HydrophobicContact CD2-CG2 4.08Å; T518-V520 PolarHBondContact O-N 3.24Å; V520-F522 HydrophobicContact CG1-CE2 3.88Å; V520-F522 HydrophobicContact CG1-CZ 4Å; V520-R532 WeakPolarHBondContact O-CA 3.45Å; V520-L533 HydrophobicContact CB-CD2 3.96Å; V520-L533 HydrophobicContact CG1-CD2 4.45Å; V520-L533 PolarHBondContact N-O 3Å; V520-L533 PolarHBondContact O-N 2.75Å; V520-C535 HydrophobicContact CG2-CB 4.3Å |
| 521 | I | 98.8 | Very high | 94.5 | Very high | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126 | -171.4 | -58.4 | 163.3 | 0 | 0 | 0 | 109 | V17 S18 V20 T75 T529 R532 | V17-I521 CarbonylContact C-O 3.5Å; V17-I521 WeakPolarHBondContact CA-O 3.45Å; S18-I521 PolarHBondContact N-O 3.26Å; S18-I521 PolarHBondContact O-N 3.46Å; V20-I521 HydrophobicContact CG2-CD1 4.27Å; T75-I521 HydrophobicContact CG2-CD1 3.79Å; T75-I521 HydrophobicContact CG2-CG1 3.97Å; T75-I521 HydrophobicContact CG2-CG2 3.83Å; I521-T529 HydrophobicContact CG2-CG2 4.07Å; I521-R532 HydrophobicContact CG1-CB 4.44Å; I521-R532 HydrophobicContact CG1-CG 4.07Å |
| 522 | F | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122 | 169.8 | -60.5 | -85.8 | 0 | 0 | 0 | 108.6 | V15 V17 L475 V520 L530 F531 L533 L547 V551 | V15-F522 HydrophobicContact CG1-CB 4.39Å; V17-F522 HydrophobicContact CG1-CE1 4.22Å; V17-F522 HydrophobicContact CG2-CD1 3.94Å; V17-F522 HydrophobicContact CG2-CE1 3.72Å; L475-F522 HydrophobicContact CD1-CZ 4.49Å; L475-F522 HydrophobicContact CD2-CZ 4.16Å; V520-F522 HydrophobicContact CG1-CE2 3.88Å; V520-F522 HydrophobicContact CG1-CZ 4Å; F522-L530 WeakPolarHBondContact O-CA 3.37Å; F522-L530 WeakPolarHBondContact O-CB 3.2Å; F522-L530 PolarHBondContact O-N 3.37Å; F522-F531 HydrophobicContact CD2-CB 4.44Å; F522-F531 HydrophobicContact CD2-CD1 4.2Å; F522-F531 PolarHBondContact N-O 3.27Å; F522-F531 PolarHBondContact O-N 2.7Å; F522-L533 HydrophobicContact CE2-CD2 4.03Å; F522-L547 HydrophobicContact CD2-CD2 4.46Å; F522-L547 HydrophobicContact CE2-CD2 3.6Å; F522-L547 HydrophobicContact CZ-CD2 4.01Å; F522-V551 HydrophobicContact CE1-CB 4.46Å; F522-V551 HydrophobicContact CE1-CG1 4.48Å; F522-V551 HydrophobicContact CE1-CG2 3.85Å; F522-V551 HydrophobicContact CE2-CG2 4.33Å; F522-V551 HydrophobicContact CZ-CG2 3.75Å |
| 523 | G | 96.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 32 Ų | 32 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 152.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V15 Q16 R528 | V15-G523 CarbonylContact C-O 3.58Å; V15-G523 WeakPolarHBondContact CA-O 3.42Å; Q16-G523 PolarHBondContact N-O 2.76Å; Q16-G523 PolarHBondContact O-N 2.87Å; Q16-G523 VanDerWaalsContact O-N 3.12Å; G523-R528 CarbonylContact C-O 3.58Å; G523-R528 WeakPolarHBondContact CA-O 3.38Å |
| 524 | E | 94.1 | Very high | 95 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 23% | 0.229 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 140.1 | 172.3 | -66.5 | 179 | 174 | 0 | 0 | 110.7 | R13 G526 G527 R528 L530 | R13-E524 HydrophobicContact CB-CB 4.01Å; R13-E524 HydrophobicContact CB-CG 4.3Å; E524-G526 PolarHBondContact O-N 3.03Å; E524-G527 PolarHBondContact O-N 2.83Å; E524-R528 HydrophobicContact CB-CB 4.41Å; E524-R528 PolarHBondContact N-O 2.9Å; E524-L530 HydrophobicContact CG-CD1 4.29Å; E524-L530 HydrophobicContact CG-CD2 4.16Å; E524-L530 HydrophobicContact CG-CG 4.34Å |
| 525 | A | 84.8 | Confident | 95 | Very high | 37 Ų | 37 | 27.1 Ų | 27.1 | 31% | 0.306 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 109.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R13 K14 Q16 | R13-A525 WeakPolarHBondContact CD-O 3.32Å; K14-A525 PolarHBondContact O-N 3.05Å; Q16-A525 HydrophobicContact CG-CB 4.47Å |
| 526 | G | 77 | Confident | 94.9 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 65% | 0.649 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 111.8 | 10.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E524 | E524-G526 PolarHBondContact O-N 3.03Š|
| 527 | G | 80.5 | Confident | 94.9 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 116.1 | -10.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | E524 T529 | E524-G527 PolarHBondContact O-N 2.83Å; G527-T529 PolarHBondContact O-N 2.9Å |
| 528 | R | 90.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 29 Ų | 29 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | trans | -78.8 | 117.4 | 178.5 | -174 | 179.8 | 176.4 | 112.3 | -8.9 | 110.3 | R114 G523 E524 | R114-R528 PolarHBondContact O-NH1 3.46Å; G523-R528 CarbonylContact C-O 3.58Å; G523-R528 WeakPolarHBondContact CA-O 3.38Å; E524-R528 HydrophobicContact CB-CB 4.41Å; E524-R528 PolarHBondContact N-O 2.9Å | ||
| 529 | T | 95.4 | Very high | 94.5 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 126.5 | 173.1 | -63.8 | 0 | 0 | 0 | 0 | 111 | T75 I521 G527 | T75-T529 HydrophobicContact CG2-CG2 3.79Å; T75-T529 PolarHBondContact OG1-OG1 2.91Å; I521-T529 HydrophobicContact CG2-CG2 4.07Å; G527-T529 PolarHBondContact O-N 2.9Å |
| 530 | L | 95.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 32 Ų | 32 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -49.7 | 178.8 | -58.8 | 179.2 | 0 | 0 | 0 | 110.9 | V15 R114 F522 E524 T550 | V15-L530 HydrophobicContact CG1-CD1 4.07Å; V15-L530 HydrophobicContact CG2-CD1 3.75Å; R114-L530 PolarHBondContact NH2-O 2.91Å; F522-L530 WeakPolarHBondContact O-CA 3.37Å; F522-L530 WeakPolarHBondContact O-CB 3.2Å; F522-L530 PolarHBondContact O-N 3.37Å; E524-L530 HydrophobicContact CG-CD1 4.29Å; E524-L530 HydrophobicContact CG-CD2 4.16Å; E524-L530 HydrophobicContact CG-CG 4.34Å; L530-T550 HydrophobicContact CB-CG2 4.36Å |
| 531 | F | 97.4 | Very high | 94.2 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 148.2 | -178.4 | -175.7 | -134.2 | 0 | 0 | 0 | 111.5 | F522 L533 E543 L546 L547 T550 | F522-F531 HydrophobicContact CD2-CB 4.44Å; F522-F531 HydrophobicContact CD2-CD1 4.2Å; F522-F531 PolarHBondContact N-O 3.27Å; F522-F531 PolarHBondContact O-N 2.7Å; F531-L533 HydrophobicContact CD1-CD2 4.07Å; F531-L533 HydrophobicContact CE1-CB 4.13Å; F531-L533 HydrophobicContact CE1-CD1 3.91Å; F531-L533 HydrophobicContact CE1-CD2 3.73Å; F531-L533 HydrophobicContact CE1-CG 4.13Å; F531-L533 HydrophobicContact CZ-CB 3.89Å; F531-L533 HydrophobicContact CZ-CD1 4.21Å; F531-L533 HydrophobicContact CZ-CD2 4.36Å; F531-L533 HydrophobicContact CZ-CG 4.38Å; F531-E543 HydrophobicContact CZ-CB 4.32Å; F531-E543 HydrophobicContact CZ-CG 4.32Å; F531-L546 HydrophobicContact CD1-CB 4.14Å; F531-L546 HydrophobicContact CD2-CB 4.13Å; F531-L546 HydrophobicContact CD2-CD1 3.92Å; F531-L546 HydrophobicContact CE1-CB 3.89Å; F531-L546 HydrophobicContact CE2-CB 3.92Å; F531-L546 HydrophobicContact CE2-CD1 3.42Å; F531-L546 VanDerWaalsContact CE2-CD1 3.42Å; F531-L546 HydrophobicContact CE2-CG 4.3Å; F531-L546 HydrophobicContact CG-CB 4.26Å; F531-L546 HydrophobicContact CZ-CB 3.8Å; F531-L546 HydrophobicContact CZ-CD1 3.94Å; F531-L547 HydrophobicContact CD1-CD2 4.14Å; F531-L547 HydrophobicContact CE1-CD2 3.93Å; F531-L547 HydrophobicContact CE1-CG 3.99Å; F531-T550 HydrophobicContact CB-CG2 4.05Å |
| 532 | R | 98.3 | Very high | 94 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 14% | 0.143 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 133.3 | 176.3 | 175.7 | -171 | -179.3 | -82 | 5.5 | 108 | E72 H73 T75 V520 I521 | E72-R532 IonicContact OE2-NH2 2.91Å; E72-R532 PolarHBondContact OE2-NH2 2.92Å; H73-R532 WeakPolarHBondContact O-CD 3.44Å; T75-R532 HydrophobicContact CG2-CB 4.44Å; V520-R532 WeakPolarHBondContact O-CA 3.45Å; I521-R532 HydrophobicContact CG1-CB 4.44Å; I521-R532 HydrophobicContact CG1-CG 4.07Å |
| 533 | L | 98.5 | Very high | 93.9 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 169.7 | 172.9 | 72.5 | 172.1 | 0 | 0 | 0 | 110.2 | P519 V520 F522 F531 S538 E543 L547 | P519-L533 CarbonylContact C-O 3.58Å; P519-L533 WeakPolarHBondContact CA-O 3.47Å; V520-L533 HydrophobicContact CB-CD2 3.96Å; V520-L533 HydrophobicContact CG1-CD2 4.45Å; V520-L533 PolarHBondContact N-O 3Å; V520-L533 PolarHBondContact O-N 2.75Å; F522-L533 HydrophobicContact CE2-CD2 4.03Å; F531-L533 HydrophobicContact CD1-CD2 4.07Å; F531-L533 HydrophobicContact CE1-CB 4.13Å; F531-L533 HydrophobicContact CE1-CD1 3.91Å; F531-L533 HydrophobicContact CE1-CD2 3.73Å; F531-L533 HydrophobicContact CE1-CG 4.13Å; F531-L533 HydrophobicContact CZ-CB 3.89Å; F531-L533 HydrophobicContact CZ-CD1 4.21Å; F531-L533 HydrophobicContact CZ-CD2 4.36Å; F531-L533 HydrophobicContact CZ-CG 4.38Å; L533-S538 WeakPolarHBondContact CD1-OG 3.32Å; L533-E543 HydrophobicContact CD1-CB 4.3Å; L533-L547 HydrophobicContact CD1-CD1 4.07Å; L533-L547 HydrophobicContact CD1-CD2 4.25Å; L533-L547 HydrophobicContact CD1-CG 4.33Å; L533-L547 HydrophobicContact CD2-CD2 4.24Å |
| 534 | L | 98.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 148.8 | 162.8 | -50.2 | -177.9 | 0 | 0 | 0 | 109 | P519 R536 D537 | P519-L534 HydrophobicContact CB-CD2 4.3Å; P519-L534 HydrophobicContact CG-CD2 4.12Å; L534-R536 VanDerWaalsContact C-N 3.26Å; L534-R536 HydrophobicContact CB-CG 4.32Å; L534-R536 PolarHBondContact O-N 2.93Å; L534-D537 WeakPolarHBondContact CB-OD2 3.43Å; L534-D537 WeakPolarHBondContact CG-OD2 3.44Å; L534-D537 PolarHBondContact O-N 2.88Å |
| 535 | C | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -48.3 | -47.6 | -179.9 | 179 | 0 | 0 | 0 | 0 | 112.4 | L474 F477 V514 T518 V520 D537 S538 | L474-C535 PolarHBondContact O-SG 3.15Å; F477-C535 WeakPolarHBondContact CD2-O 3.44Å; V514-C535 HydrophobicContact CG2-CB 4.38Å; T518-C535 PolarHBondContact O-N 3.06Å; V520-C535 HydrophobicContact CG2-CB 4.3Å; C535-D537 VanDerWaalsContact C-N 3.26Å; C535-D537 PolarHBondContact O-N 2.93Å; C535-S538 PolarHBondContact O-N 2.86Å; C535-S538 PolarHBondContact O-OG 3Å |
| 536 | R | 97.9 | Very high | 94.5 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -62.7 | -23.9 | 179.5 | 67 | -173.7 | 163.7 | -162.2 | -8.4 | 115.7 | E24 P516 L534 S538 | E24-R536 IonicContact OE1-CZ 3.05Å; E24-R536 IonicContact OE1-NH1 3.1Å; E24-R536 PolarHBondContact OE1-NH1 3.23Å; E24-R536 IonicContact OE1-NH2 3.99Å; E24-R536 PolarHBondContact OE1-NH2 2.97Å; P516-R536 HydrophobicContact CB-CB 3.83Å; P516-R536 HydrophobicContact CB-CG 4.46Å; P516-R536 WeakPolarHBondContact O-CB 3.26Å; P516-R536 WeakPolarHBondContact O-CG 3.46Å; P516-R536 PolarHBondContact O-N 3.28Å; L534-R536 VanDerWaalsContact C-N 3.26Å; L534-R536 HydrophobicContact CB-CG 4.32Å; L534-R536 PolarHBondContact O-N 2.93Å; R536-S538 VanDerWaalsContact C-N 3.3Å; R536-S538 PolarHBondContact O-N 2.94Å |
| 537 | D | 97.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 47.6 Ų | 47.6 | 35% | 0.353 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -85.3 | -6.1 | -173.4 | -59.5 | -29.3 | 0 | 0 | 0 | 112.4 | L534 C535 G539 G540 E543 | L534-D537 WeakPolarHBondContact CB-OD2 3.43Å; L534-D537 WeakPolarHBondContact CG-OD2 3.44Å; L534-D537 PolarHBondContact O-N 2.88Å; C535-D537 VanDerWaalsContact C-N 3.26Å; C535-D537 PolarHBondContact O-N 2.93Å; D537-G539 PolarHBondContact O-N 3.49Å; D537-G540 PolarHBondContact O-N 2.98Å; D537-E543 HydrophobicContact CB-CG 4.36Å; D537-E543 WeakPolarHBondContact O-CB 3.31Å; D537-E543 WeakPolarHBondContact O-CG 3.36Å |
| 538 | S | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -59.1 | -14 | -177.1 | -50.3 | 0 | 0 | 0 | 0 | 114.8 | L533 C535 R536 | L533-S538 WeakPolarHBondContact CD1-OG 3.32Å; C535-S538 PolarHBondContact O-N 2.86Å; C535-S538 PolarHBondContact O-OG 3Å; R536-S538 VanDerWaalsContact C-N 3.3Å; R536-S538 PolarHBondContact O-N 2.94Å |
| 539 | G | 93.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -84.3 | -12.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D537 | D537-G539 PolarHBondContact O-N 3.49Š|
| 540 | G | 95.2 | Very high | 96.4 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 27% | 0.268 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -67 | 150.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D537 T542 E543 S544 | D537-G540 PolarHBondContact O-N 2.98Å; G540-T542 PolarHBondContact O-N 2.93Å; G540-E543 WeakPolarHBondContact CA-OE2 3.33Å; G540-E543 PolarHBondContact O-N 2.75Å; G540-S544 WeakPolarHBondContact O-CB 3.36Å; G540-S544 PolarHBondContact O-N 2.67Å |
| 541 | E | 95.3 | Very high | 96.5 | Very high | 179 Ų | 179 | 51.4 Ų | 51.4 | 84% | 0.836 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | -176.9 | -173.9 | -179.8 | -177.6 | 0 | 0 | 111.7 | M545 | E541-M545 WeakPolarHBondContact O-CB 3.45Å; E541-M545 PolarHBondContact O-N 2.86Å |
| 542 | T | 93.7 | Very high | 96.5 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 179.1 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | G540 M545 L546 | G540-T542 PolarHBondContact O-N 2.93Å; T542-M545 PolarHBondContact O-N 2.94Å; T542-L546 HydrophobicContact CG2-CD1 4.04Å; T542-L546 WeakPolarHBondContact O-CG 3.3Å; T542-L546 PolarHBondContact O-N 2.99Å |
| 543 | E | 96.3 | Very high | 96.4 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 178.9 | -68.7 | 73.7 | -164.8 | 0 | 0 | 111.1 | F531 L533 D537 G540 M545 L546 L547 | F531-E543 HydrophobicContact CZ-CB 4.32Å; F531-E543 HydrophobicContact CZ-CG 4.32Å; L533-E543 HydrophobicContact CD1-CB 4.3Å; D537-E543 HydrophobicContact CB-CG 4.36Å; D537-E543 WeakPolarHBondContact O-CB 3.31Å; D537-E543 WeakPolarHBondContact O-CG 3.36Å; G540-E543 WeakPolarHBondContact CA-OE2 3.33Å; G540-E543 PolarHBondContact O-N 2.75Å; E543-M545 PolarHBondContact O-N 3.46Å; E543-L546 PolarHBondContact O-N 2.92Å; E543-L547 WeakPolarHBondContact O-CB 3.23Å; E543-L547 VanDerWaalsContact O-CG 3.3Å; E543-L547 WeakPolarHBondContact O-CG 3.48Å; E543-L547 PolarHBondContact O-N 2.92Å |
| 544 | S | 95.4 | Very high | 96.3 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 178 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | W478 G540 L547 N548 | W478-S544 PolarHBondContact NE1-OG 2.79Å; G540-S544 WeakPolarHBondContact O-CB 3.36Å; G540-S544 PolarHBondContact O-N 2.67Å; S544-L547 PolarHBondContact O-N 2.88Å; S544-N548 PolarHBondContact O-N 2.77Å; S544-N548 PolarHBondContact O-ND2 3.1Å |
| 545 | M | 96.3 | Very high | 96.3 | Very high | 101 Ų | 101 | 53.6 Ų | 53.6 | 50% | 0.498 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 172.5 | -174.1 | -173.7 | 77.2 | 0 | 0 | 111.2 | E541 T542 E543 L547 N548 E549 | E541-M545 WeakPolarHBondContact O-CB 3.45Å; E541-M545 PolarHBondContact O-N 2.86Å; T542-M545 PolarHBondContact O-N 2.94Å; E543-M545 PolarHBondContact O-N 3.46Å; M545-L547 PolarHBondContact O-N 2.94Å; M545-N548 WeakPolarHBondContact O-CB 3.39Å; M545-N548 PolarHBondContact O-N 3.45Å; M545-E549 PolarHBondContact O-N 2.78Å |
| 546 | L | 95.8 | Very high | 96.2 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 178.4 | -70.2 | 170 | 0 | 0 | 0 | 112.5 | F531 T542 E543 E549 T550 | F531-L546 HydrophobicContact CD1-CB 4.14Å; F531-L546 HydrophobicContact CD2-CB 4.13Å; F531-L546 HydrophobicContact CD2-CD1 3.92Å; F531-L546 HydrophobicContact CE1-CB 3.89Å; F531-L546 HydrophobicContact CE2-CB 3.92Å; F531-L546 HydrophobicContact CE2-CD1 3.42Å; F531-L546 VanDerWaalsContact CE2-CD1 3.42Å; F531-L546 HydrophobicContact CE2-CG 4.3Å; F531-L546 HydrophobicContact CG-CB 4.26Å; F531-L546 HydrophobicContact CZ-CB 3.8Å; F531-L546 HydrophobicContact CZ-CD1 3.94Å; T542-L546 HydrophobicContact CG2-CD1 4.04Å; T542-L546 WeakPolarHBondContact O-CG 3.3Å; T542-L546 PolarHBondContact O-N 2.99Å; E543-L546 PolarHBondContact O-N 2.92Å; L546-E549 PolarHBondContact O-N 2.94Å; L546-T550 WeakPolarHBondContact O-CB 3.38Å; L546-T550 WeakPolarHBondContact O-CG2 3.26Å; L546-T550 PolarHBondContact O-N 3.49Å; L546-T550 PolarHBondContact O-OG1 2.85Å |
| 547 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 172.9 | -73.3 | 171.4 | 0 | 0 | 0 | 111 | L475 W478 F522 F531 L533 E543 S544 M545 E549 T550 V551 | L475-L547 HydrophobicContact CD2-CD1 4.41Å; L475-L547 HydrophobicContact CD2-CD2 4.02Å; W478-L547 HydrophobicContact CB-CD1 4.07Å; W478-L547 HydrophobicContact CD2-CB 4.23Å; W478-L547 HydrophobicContact CD2-CD1 3.97Å; W478-L547 HydrophobicContact CG-CD1 3.62Å; W478-L547 HydrophobicContact CH2-CB 4.45Å; W478-L547 HydrophobicContact CZ2-CB 3.79Å; F522-L547 HydrophobicContact CD2-CD2 4.46Å; F522-L547 HydrophobicContact CE2-CD2 3.6Å; F522-L547 HydrophobicContact CZ-CD2 4.01Å; F531-L547 HydrophobicContact CD1-CD2 4.14Å; F531-L547 HydrophobicContact CE1-CD2 3.93Å; F531-L547 HydrophobicContact CE1-CG 3.99Å; L533-L547 HydrophobicContact CD1-CD1 4.07Å; L533-L547 HydrophobicContact CD1-CD2 4.25Å; L533-L547 HydrophobicContact CD1-CG 4.33Å; L533-L547 HydrophobicContact CD2-CD2 4.24Å; E543-L547 WeakPolarHBondContact O-CB 3.23Å; E543-L547 VanDerWaalsContact O-CG 3.3Å; E543-L547 WeakPolarHBondContact O-CG 3.48Å; E543-L547 PolarHBondContact O-N 2.92Å; S544-L547 PolarHBondContact O-N 2.88Å; M545-L547 PolarHBondContact O-N 2.94Å; L547-E549 PolarHBondContact O-N 3.07Å; L547-T550 PolarHBondContact O-N 3.46Å; L547-V551 HydrophobicContact CB-CG2 3.99Å; L547-V551 HydrophobicContact CD2-CG2 3.65Å; L547-V551 HydrophobicContact CG-CG2 4.44Å; L547-V551 VanDerWaalsContact O-CB 3.3Å; L547-V551 WeakPolarHBondContact O-CB 3.45Å; L547-V551 WeakPolarHBondContact O-CG2 3.46Å; L547-V551 PolarHBondContact O-N 3.01Å |
| 548 | N | 96.3 | Very high | 96 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -31 | 175.8 | -74.6 | -51.6 | 0 | 0 | 0 | 113.1 | W478 R480 S544 M545 | W478-N548 WeakPolarHBondContact CZ2-OD1 3.39Å; R480-N548 VanDerWaalsContact CD-OD1 3.24Å; R480-N548 WeakPolarHBondContact CD-OD1 3.31Å; R480-N548 PolarHBondContact NH1-OD1 2.82Å; S544-N548 PolarHBondContact O-N 2.77Å; S544-N548 PolarHBondContact O-ND2 3.1Å; M545-N548 WeakPolarHBondContact O-CB 3.39Å; M545-N548 PolarHBondContact O-N 3.45Å |
| 549 | E | 95.3 | Very high | 96 | Very high | 141 Ų | 141 | 49.3 Ų | 49.3 | 66% | 0.659 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -85.6 | -26.3 | 178.8 | -67.5 | -177.3 | 179.7 | 0 | 0 | 114 | M545 L546 L547 | M545-E549 PolarHBondContact O-N 2.78Å; L546-E549 PolarHBondContact O-N 2.94Å; L547-E549 PolarHBondContact O-N 3.07Å |
| 550 | T | 95.9 | Very high | 96 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -115 | -27.1 | -165.7 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | L530 F531 L546 L547 P552 | L530-T550 HydrophobicContact CB-CG2 4.36Å; F531-T550 HydrophobicContact CB-CG2 4.05Å; L546-T550 WeakPolarHBondContact O-CB 3.38Å; L546-T550 WeakPolarHBondContact O-CG2 3.26Å; L546-T550 PolarHBondContact O-N 3.49Å; L546-T550 PolarHBondContact O-OG1 2.85Å; L547-T550 PolarHBondContact O-N 3.46Å; T550-P552 WeakPolarHBondContact O-CD 3.45Å |
| 551 | V | 97.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -66.7 | 122.9 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | L475 W478 F522 L547 V555 I556 | L475-V551 HydrophobicContact CD1-CG1 4.41Å; L475-V551 HydrophobicContact CD1-CG2 4.47Å; W478-V551 HydrophobicContact CH2-CB 4.21Å; W478-V551 HydrophobicContact CH2-CG1 4.4Å; W478-V551 HydrophobicContact CH2-CG2 4.16Å; W478-V551 HydrophobicContact CZ3-CB 4.38Å; W478-V551 HydrophobicContact CZ3-CG1 4.18Å; W478-V551 HydrophobicContact CZ3-CG2 4.16Å; F522-V551 HydrophobicContact CE1-CB 4.46Å; F522-V551 HydrophobicContact CE1-CG1 4.48Å; F522-V551 HydrophobicContact CE1-CG2 3.85Å; F522-V551 HydrophobicContact CE2-CG2 4.33Å; F522-V551 HydrophobicContact CZ-CG2 3.75Å; L547-V551 HydrophobicContact CB-CG2 3.99Å; L547-V551 HydrophobicContact CD2-CG2 3.65Å; L547-V551 HydrophobicContact CG-CG2 4.44Å; L547-V551 VanDerWaalsContact O-CB 3.3Å; L547-V551 WeakPolarHBondContact O-CB 3.45Å; L547-V551 WeakPolarHBondContact O-CG2 3.46Å; L547-V551 PolarHBondContact O-N 3.01Å; V551-V555 HydrophobicContact CG1-CB 3.75Å; V551-V555 HydrophobicContact CG1-CG1 3.66Å; V551-I556 HydrophobicContact CG1-CG1 3.93Å |
| 552 | P | 97.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | trans | -75.2 | 156.1 | -177.6 | 31.4 | -35.5 | 0 | 0 | 0 | 111.8 | V15 T550 W554 V555 I556 | V15-P552 HydrophobicContact CB-CB 4.07Å; V15-P552 HydrophobicContact CB-CG 4.07Å; V15-P552 HydrophobicContact CG1-CB 4.5Å; V15-P552 HydrophobicContact CG1-CG 4.08Å; T550-P552 WeakPolarHBondContact O-CD 3.45Å; P552-W554 VanDerWaalsContact C-N 3.29Å; P552-W554 HydrophobicContact CG-CG 4.44Å; P552-W554 HydrophobicContact CG-CZ2 4.48Å; P552-W554 PolarHBondContact O-N 2.9Å; P552-V555 HydrophobicContact CG-CB 4.36Å; P552-V555 HydrophobicContact CG-CG2 3.8Å; P552-V555 WeakPolarHBondContact O-CB 3.26Å; P552-V555 PolarHBondContact O-N 2.91Å; P552-I556 PolarHBondContact O-N 3.22Å | ||
| 553 | Q | 96.2 | Very high | 95.6 | Very high | 110 Ų | 110 | 46 Ų | 46 | 51% | 0.514 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.1 | -41.5 | -175.2 | -170.9 | 60.1 | 45.8 | 0 | 0 | 113.3 | V555 I556 D557 | Q553-V555 PolarHBondContact O-N 3.26Å; Q553-I556 WeakPolarHBondContact O-CA 3.37Å; Q553-I556 WeakPolarHBondContact O-CB 3.46Å; Q553-I556 PolarHBondContact O-N 3.06Å; Q553-D557 PolarHBondContact NE2-OD1 3.33Å; Q553-D557 PolarHBondContact O-N 3.21Å |
| 554 | W | 96.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 6% | 0.064 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -22.3 | 179.7 | 72.5 | -98.4 | 0 | 0 | 0 | 113.8 | V15 V17 L437 E439 C442 F443 L471 P552 | V15-W554 PolarHBondContact O-NE1 2.98Å; V17-W554 HydrophobicContact CG2-CH2 4.19Å; V17-W554 HydrophobicContact CG2-CZ2 3.99Å; L437-W554 HydrophobicContact CB-CH2 4.27Å; E439-W554 HydrophobicContact CB-CD2 4.04Å; E439-W554 HydrophobicContact CB-CG 4.02Å; E439-W554 HydrophobicContact CG-CB 3.97Å; E439-W554 HydrophobicContact CG-CD2 4.28Å; E439-W554 HydrophobicContact CG-CG 3.84Å; C442-W554 HydrophobicContact CB-CH2 4.27Å; C442-W554 HydrophobicContact CB-CZ3 3.89Å; F443-W554 HydrophobicContact CE1-CZ3 4.38Å; F443-W554 AromaticContact CE2-CE3 3.57Å; F443-W554 HydrophobicContact CE2-CE3 3.57Å; F443-W554 HydrophobicContact CE2-CZ3 4.03Å; F443-W554 AromaticContact CZ-CE3 3.46Å; F443-W554 HydrophobicContact CZ-CE3 3.46Å; F443-W554 VanDerWaalsContact CZ-CE3 3.46Å; F443-W554 AromaticContact CZ-CZ3 3.62Å; F443-W554 HydrophobicContact CZ-CZ3 3.62Å; L471-W554 HydrophobicContact CD1-CE3 4.38Å; L471-W554 HydrophobicContact CD1-CH2 4.35Å; L471-W554 HydrophobicContact CD1-CZ3 3.69Å; L471-W554 HydrophobicContact CD2-CH2 4.49Å; P552-W554 VanDerWaalsContact C-N 3.29Å; P552-W554 HydrophobicContact CG-CG 4.44Å; P552-W554 HydrophobicContact CG-CZ2 4.48Å; P552-W554 PolarHBondContact O-N 2.9Å |
| 555 | V | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -85.9 | -39.2 | 172.4 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | V17 L471 L475 V551 P552 Q553 D557 I558 T559 | V17-V555 HydrophobicContact CG2-CG2 3.76Å; L471-V555 HydrophobicContact CD1-CG1 4.37Å; L471-V555 HydrophobicContact CD1-CG2 4.24Å; L471-V555 HydrophobicContact CD2-CG1 4.2Å; L471-V555 HydrophobicContact CD2-CG2 4.18Å; L475-V555 HydrophobicContact CD1-CG1 3.82Å; V551-V555 HydrophobicContact CG1-CB 3.75Å; V551-V555 HydrophobicContact CG1-CG1 3.66Å; P552-V555 HydrophobicContact CG-CB 4.36Å; P552-V555 HydrophobicContact CG-CG2 3.8Å; P552-V555 WeakPolarHBondContact O-CB 3.26Å; P552-V555 PolarHBondContact O-N 2.91Å; Q553-V555 PolarHBondContact O-N 3.26Å; V555-D557 VanDerWaalsContact C-N 3.31Å; V555-D557 PolarHBondContact O-N 3.48Å; V555-I558 PolarHBondContact O-N 3.28Å; V555-T559 HydrophobicContact CG1-CG2 3.94Å; V555-T559 WeakPolarHBondContact O-CB 3.41Å; V555-T559 WeakPolarHBondContact O-CG2 3.38Å; V555-T559 PolarHBondContact O-N 3.4Å; V555-T559 PolarHBondContact O-OG1 3.47Å |
| 556 | I | 97 | Very high | 94.3 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 176.4 | -63.8 | 178.4 | 0 | 0 | 0 | 110.1 | V551 P552 Q553 I558 T559 V560 D561 | V551-I556 HydrophobicContact CG1-CG1 3.93Å; P552-I556 PolarHBondContact O-N 3.22Å; Q553-I556 WeakPolarHBondContact O-CA 3.37Å; Q553-I556 WeakPolarHBondContact O-CB 3.46Å; Q553-I556 PolarHBondContact O-N 3.06Å; I556-I558 PolarHBondContact O-N 2.98Å; I556-I558 VanDerWaalsContact O-N 3.08Å; I556-T559 PolarHBondContact O-N 3.12Å; I556-V560 HydrophobicContact CG2-CB 3.92Å; I556-V560 HydrophobicContact CG2-CG1 4.49Å; I556-V560 HydrophobicContact CG2-CG2 4.15Å; I556-V560 WeakPolarHBondContact O-CB 3.5Å; I556-V560 PolarHBondContact O-N 2.8Å; I556-D561 PolarHBondContact O-N 2.73Å |
| 557 | D | 96.1 | Very high | 94 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -51.5 | -38.5 | -179.8 | -63 | -19 | 0 | 0 | 0 | 111.6 | Q553 V555 D561 K562 N563 | Q553-D557 PolarHBondContact NE2-OD1 3.33Å; Q553-D557 PolarHBondContact O-N 3.21Å; V555-D557 VanDerWaalsContact C-N 3.31Å; V555-D557 PolarHBondContact O-N 3.48Å; D557-D561 CarbonylContact O-C 3.57Å; D557-K562 PolarHBondContact O-N 3.31Å; D557-K562 VanDerWaalsContact O-N 3.17Å; D557-N563 WeakPolarHBondContact O-CB 3.25Å; D557-N563 PolarHBondContact O-N 3.08Å |
| 558 | I | 95.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -91.4 | -38.2 | -177.9 | -51 | -49.4 | 0 | 0 | 0 | 113.3 | F443 Q472 V555 I556 N563 | F443-I558 HydrophobicContact CD1-CG1 4.49Å; F443-I558 HydrophobicContact CE1-CD1 4.41Å; F443-I558 HydrophobicContact CE1-CG1 3.63Å; F443-I558 HydrophobicContact CE2-CG1 4.07Å; F443-I558 HydrophobicContact CZ-CB 4.48Å; F443-I558 HydrophobicContact CZ-CD1 4.2Å; F443-I558 HydrophobicContact CZ-CG1 3.36Å; Q472-I558 PolarHBondContact NE2-O 3.37Å; Q472-I558 VanDerWaalsContact NE2-O 3.11Å; V555-I558 PolarHBondContact O-N 3.28Å; I556-I558 PolarHBondContact O-N 2.98Å; I556-I558 VanDerWaalsContact O-N 3.08Å; I558-N563 WeakPolarHBondContact CD1-O 3.41Å |
| 559 | T | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -90.3 | -33.4 | -169.4 | 57 | 0 | 0 | 0 | 0 | 113.2 | L471 Q472 L475 T481 V555 I556 K562 | L471-T559 HydrophobicContact CB-CG2 3.69Å; Q472-T559 HydrophobicContact CG-CG2 4.18Å; L475-T559 HydrophobicContact CD1-CG2 4.35Å; T481-T559 WeakPolarHBondContact CB-O 3.27Å; V555-T559 HydrophobicContact CG1-CG2 3.94Å; V555-T559 WeakPolarHBondContact O-CB 3.41Å; V555-T559 WeakPolarHBondContact O-CG2 3.38Å; V555-T559 PolarHBondContact O-N 3.4Å; V555-T559 PolarHBondContact O-OG1 3.47Å; I556-T559 PolarHBondContact O-N 3.12Å; T559-K562 WeakPolarHBondContact O-CE 3.19Å; T559-K562 PolarHBondContact O-NZ 2.74Å |
| 560 | V | 94.3 | Very high | 93.3 | Very high | 30 Ų | 30 | 55.3 Ų | 55.3 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -58 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | W478 R480 T481 I556 K562 | W478-V560 HydrophobicContact CH2-CG2 4.39Å; W478-V560 HydrophobicContact CZ3-CG2 3.98Å; R480-V560 HydrophobicContact CG-CG1 4.13Å; R480-V560 HydrophobicContact CG-CG2 4.07Å; T481-V560 HydrophobicContact CG2-CG2 4.18Å; I556-V560 HydrophobicContact CG2-CB 3.92Å; I556-V560 HydrophobicContact CG2-CG1 4.49Å; I556-V560 HydrophobicContact CG2-CG2 4.15Å; I556-V560 WeakPolarHBondContact O-CB 3.5Å; I556-V560 PolarHBondContact O-N 2.8Å; V560-K562 VanDerWaalsContact C-N 3.25Å; V560-K562 PolarHBondContact O-N 3.43Å |
| 561 | D | 93.5 | Very high | 93.3 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -79.9 | -9.7 | -171.8 | -52.6 | -23.3 | 0 | 0 | 0 | 112.9 | I556 D557 N563 | I556-D561 PolarHBondContact O-N 2.73Å; D557-D561 CarbonylContact O-C 3.57Å; D561-N563 WeakPolarHBondContact CB-ND2 3.45Å; D561-N563 PolarHBondContact O-N 3Å |
| 562 | K | 90.8 | Very high | 93.2 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 27% | 0.265 | 27% | 0.273 | S | S | . | . | trans | 53.1 | 25.7 | -178.8 | -49.1 | -57 | -174.9 | -173.8 | 0 | 114 | T481 I483 D557 T559 V560 M564 | T481-K562 PolarHBondContact O-NZ 3.48Å; I483-K562 HydrophobicContact CD1-CG 4.17Å; D557-K562 PolarHBondContact O-N 3.31Å; D557-K562 VanDerWaalsContact O-N 3.17Å; T559-K562 WeakPolarHBondContact O-CE 3.19Å; T559-K562 PolarHBondContact O-NZ 2.74Å; V560-K562 VanDerWaalsContact C-N 3.25Å; V560-K562 PolarHBondContact O-N 3.43Å; K562-M564 PolarHBondContact O-N 2.87Å | ||
| 563 | N | 91.8 | Very high | 93.1 | Very high | 99 Ų | 99 | 57.2 Ų | 57.2 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | trans | -75.5 | 85.7 | 177.9 | -71.8 | -37 | 0 | 0 | 0 | 110.4 | D557 I558 D561 | D557-N563 WeakPolarHBondContact O-CB 3.25Å; D557-N563 PolarHBondContact O-N 3.08Å; I558-N563 WeakPolarHBondContact CD1-O 3.41Å; D561-N563 WeakPolarHBondContact CB-ND2 3.45Å; D561-N563 PolarHBondContact O-N 3Å | ||
| 564 | M | 84.1 | Confident | 92.9 | Very high | 88 Ų | 88 | 52.1 Ų | 52.1 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 141 | -179 | -71.8 | -64.5 | -81.9 | 0 | 0 | 112 | W446 N465 K562 | W446-M564 HydrophobicContact CH2-CB 4.46Å; W446-M564 HydrophobicContact CH2-CE 3.79Å; W446-M564 HydrophobicContact CZ3-CE 4.1Å; N465-M564 HydrophobicContact CB-CE 3.99Å; K562-M564 PolarHBondContact O-N 2.87Å |
| 565 | P | 89.1 | Confident | 92.6 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 164.2 | -177.3 | 20.5 | -23.4 | 0 | 0 | 0 | 111.5 | F443 W446 N465 | F443-P565 HydrophobicContact CB-CB 3.92Å; F443-P565 HydrophobicContact CB-CG 3.79Å; F443-P565 HydrophobicContact CD1-CG 4.21Å; F443-P565 HydrophobicContact CG-CB 4.27Å; F443-P565 HydrophobicContact CG-CG 4.02Å; W446-P565 HydrophobicContact CZ2-CB 4.31Å; W446-P565 HydrophobicContact CZ2-CG 3.69Å; W446-P565 WeakPolarHBondContact CZ2-O 3.28Å; N465-P565 HydrophobicContact CB-CG 4.31Å |
| 566 | K | 86.8 | Confident | 92.1 | Very high | 191 Ų | 191 | 54.9 Ų | 54.9 | 83% | 0.83 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 149.2 | 177.1 | -67.6 | -177.1 | -179.9 | 177.5 | 0 | 111.1 | W446 | W446-K566 PolarHBondContact NE1-O 3.16Š|
| 567 | F | 89.5 | Confident | 91.6 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 47% | 0.469 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 143 | 171.8 | -67.2 | -68.2 | 0 | 0 | 0 | 112 | W446 K463 M595 | W446-F567 AromaticContact CD2-CD1 3.76Å; W446-F567 HydrophobicContact CD2-CD1 3.76Å; W446-F567 AromaticContact CD2-CE1 3.7Å; W446-F567 HydrophobicContact CD2-CE1 3.7Å; W446-F567 AromaticContact CE2-CD1 3.97Å; W446-F567 HydrophobicContact CE3-CD1 4Å; W446-F567 AromaticContact CE3-CE1 3.43Å; W446-F567 HydrophobicContact CE3-CE1 3.43Å; W446-F567 VanDerWaalsContact CE3-CE1 3.43Å; W446-F567 HydrophobicContact CE3-CZ 4.33Å; W446-F567 HydrophobicContact CG-CD1 4.1Å; W446-F567 HydrophobicContact CG-CE1 4.39Å; W446-F567 HydrophobicContact CH2-CE1 4.01Å; W446-F567 HydrophobicContact CH2-CZ 4.32Å; W446-F567 HydrophobicContact CZ2-CD1 4.38Å; W446-F567 HydrophobicContact CZ2-CE1 4.29Å; W446-F567 HydrophobicContact CZ3-CD1 4.37Å; W446-F567 AromaticContact CZ3-CE1 3.58Å; W446-F567 HydrophobicContact CZ3-CE1 3.58Å; W446-F567 HydrophobicContact CZ3-CZ 4.05Å; K463-F567 HydrophobicContact CB-CE1 3.73Å; K463-F567 HydrophobicContact CB-CZ 4.12Å; K463-F567 HydrophobicContact CG-CE1 4.29Å; F567-M595 HydrophobicContact CD1-CE 3.76Å; F567-M595 HydrophobicContact CE1-CE 3.87Å |
| 568 | N | 89.7 | Confident | 90.7 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 140.2 | 171.9 | -65.7 | -34.9 | 0 | 0 | 0 | 110.1 | A444 S593 D594 | A444-N568 PolarHBondContact O-ND2 3.5Å; A444-N568 VanDerWaalsContact O-ND2 3.08Å; N568-S593 WeakPolarHBondContact O-CA 3.19Å; N568-D594 HydrophobicContact CB-CB 4.36Å; N568-D594 PolarHBondContact O-N 3.18Å |
| 569 | K | 93.2 | Very high | 89.8 | Confident | 149 Ų | 149 | 61.2 Ų | 61.2 | 65% | 0.648 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.1 | 176.3 | -65.6 | -170.6 | 179.7 | -173.8 | 0 | 111.4 | A592 | K569-A592 CarbonylContact C-O 3.54Å; K569-A592 WeakPolarHBondContact CA-O 3.17Å; K569-A592 WeakPolarHBondContact CB-O 3.34Å |
| 570 | I | 92.4 | Very high | 88.4 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.1 | 172.9 | -67 | 179.9 | 0 | 0 | 0 | 108.5 | S591 A592 D594 L659 R660 K663 L673 | I570-S591 WeakPolarHBondContact O-CA 3.34Å; I570-A592 PolarHBondContact N-O 2.89Å; I570-A592 PolarHBondContact O-N 2.85Å; I570-D594 HydrophobicContact CD1-CB 3.72Å; I570-D594 HydrophobicContact CG1-CB 3.8Å; I570-L659 HydrophobicContact CD1-CB 4.37Å; I570-R660 HydrophobicContact CD1-CB 3.72Å; I570-K663 HydrophobicContact CD1-CD 4.27Å; I570-K663 HydrophobicContact CG2-CD 4.11Å; I570-L673 HydrophobicContact CG2-CB 4.5Å |
| 571 | P | 95 | Very high | 86.8 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 136.7 | 163.6 | 31.1 | -32.5 | 0 | 0 | 0 | 109.8 | L590 | P571-L590 WeakPolarHBondContact CA-O 3.39Å |
| 572 | F | 96 | Very high | 85.2 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158.9 | 177.5 | 68.5 | -84.5 | 0 | 0 | 0 | 111.7 | L574 L590 A592 V601 L659 L673 L675 | F572-L574 HydrophobicContact CE2-CB 4.44Å; F572-L590 HydrophobicContact CD1-CB 4.35Å; F572-L590 HydrophobicContact CD2-CB 4.41Å; F572-L590 HydrophobicContact CE1-CB 3.84Å; F572-L590 HydrophobicContact CE2-CB 3.91Å; F572-L590 HydrophobicContact CE2-CD1 3.93Å; F572-L590 HydrophobicContact CE2-CG 4.48Å; F572-L590 HydrophobicContact CZ-CB 3.6Å; F572-L590 HydrophobicContact CZ-CD1 3.97Å; F572-L590 HydrophobicContact CZ-CG 4.43Å; F572-L590 PolarHBondContact N-O 3.46Å; F572-L590 PolarHBondContact O-N 3.34Å; F572-L590 VanDerWaalsContact O-O 3.13Å; F572-A592 HydrophobicContact CE1-CB 3.91Å; F572-V601 HydrophobicContact CE2-CG1 4.33Å; F572-V601 HydrophobicContact CZ-CG2 4.39Å; F572-L659 HydrophobicContact CD1-CD1 3.96Å; F572-L659 HydrophobicContact CE1-CD1 3.79Å; F572-L659 HydrophobicContact CZ-CD1 4.4Å; F572-L673 CarbonylContact C-O 3.47Å; F572-L673 WeakPolarHBondContact CA-O 3.43Å; F572-L673 HydrophobicContact CB-CB 3.83Å; F572-L673 HydrophobicContact CB-CD2 4.15Å; F572-L673 HydrophobicContact CB-CG 4.08Å; F572-L673 VanDerWaalsContact CB-O 3.25Å; F572-L673 WeakPolarHBondContact CB-O 3.26Å; F572-L675 HydrophobicContact CD2-CD1 3.87Å; F572-L675 HydrophobicContact CD2-CG 4.35Å; F572-L675 HydrophobicContact CE2-CD1 4.11Å |
| 573 | Y | 93.9 | Very high | 83.3 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 141.9 | 172.7 | -69 | -68.8 | 0 | 0 | 0 | 110.4 | K587 D588 R589 D672 L673 L675 | Y573-K587 HydrophobicContact CD1-CD 3.78Å; Y573-K587 HydrophobicContact CD1-CG 3.42Å; Y573-K587 VanDerWaalsContact CD1-CG 3.42Å; Y573-K587 VanDerWaalsContact CD2-CE 3.42Å; Y573-K587 HydrophobicContact CE1-CD 3.83Å; Y573-K587 VanDerWaalsContact CE1-CE 3.41Å; Y573-K587 HydrophobicContact CE1-CG 3.79Å; Y573-K587 HydrophobicContact CG-CD 4.22Å; Y573-K587 HydrophobicContact CG-CG 4.11Å; Y573-D588 WeakPolarHBondContact CA-O 3.36Å; Y573-R589 HydrophobicContact CD1-CB 3.87Å; Y573-R589 HydrophobicContact CD1-CG 4.03Å; Y573-R589 HydrophobicContact CE1-CB 3.58Å; Y573-R589 HydrophobicContact CE1-CG 3.63Å; Y573-D672 HydrophobicContact CD2-CB 4.04Å; Y573-D672 HydrophobicContact CE2-CB 3.88Å; Y573-L673 PolarHBondContact N-O 3.12Å; Y573-L675 PolarHBondContact O-N 3.21Å |
| 574 | L | 92.3 | Very high | 81.6 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.9 | 175.7 | -171 | 62.4 | 0 | 0 | 0 | 109.2 | F572 D588 L590 V601 V605 I609 L646 L675 Y677 | F572-L574 HydrophobicContact CE2-CB 4.44Å; L574-D588 PolarHBondContact N-O 3.45Å; L574-L590 HydrophobicContact CB-CD1 4.13Å; L574-L590 HydrophobicContact CD2-CD1 3.84Å; L574-V601 HydrophobicContact CD1-CG1 4.06Å; L574-V601 HydrophobicContact CD2-CG1 4.35Å; L574-V605 HydrophobicContact CD1-CG2 4.23Å; L574-V605 HydrophobicContact CD2-CG2 3.83Å; L574-V605 HydrophobicContact CG-CG2 4.42Å; L574-I609 HydrophobicContact CD2-CD1 3.97Å; L574-L646 HydrophobicContact CD1-CD1 3.95Å; L574-L675 WeakPolarHBondContact CA-O 3.35Å; L574-L675 HydrophobicContact CD1-CB 4.01Å; L574-Y677 HydrophobicContact CD1-CD1 3.77Å; L574-Y677 HydrophobicContact CD1-CE1 4.48Å; L574-Y677 HydrophobicContact CD2-CD1 4.5Å; L574-Y677 HydrophobicContact CG-CD1 3.75Å; L574-Y677 HydrophobicContact CG-CE1 3.98Å |
| 575 | Q | 89.7 | Confident | 80.2 | Confident | 51 Ų | 51 | 74 Ų | 74 | 24% | 0.238 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 150.2 | -172 | -58.8 | -171.3 | -43.9 | 0 | 0 | 111.8 | K587 L675 H676 Y677 | Q575-K587 HydrophobicContact CG-CG 4.45Å; Q575-K587 VanDerWaalsContact NE2-CD 3.28Å; Q575-K587 VanDerWaalsContact NE2-CG 3.28Å; Q575-L675 PolarHBondContact N-O 3.1Å; Q575-H676 CarbonylContact O-C 3.51Å; Q575-H676 WeakPolarHBondContact O-CA 3.4Å; Q575-Y677 WeakPolarHBondContact O-CD1 3.33Å; Q575-Y677 WeakPolarHBondContact O-CE1 3.32Å; Q575-Y677 PolarHBondContact O-N 3.13Å |
| 576 | P | 88.1 | Confident | 78.8 | Confident | 25 Ų | 25 | 81 Ų | 81 | 16% | 0.162 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 139 | 170.3 | 26.4 | -31.9 | 0 | 0 | 0 | 110.3 | S580 A582 Y677 | P576-S580 WeakPolarHBondContact CB-OG 3.16Å; P576-A582 HydrophobicContact CB-CB 4.05Å; P576-A582 HydrophobicContact CG-CB 4.46Å; P576-Y677 HydrophobicContact CB-CE2 4.14Å |
| 577 | H | 86.5 | Confident | 77.9 | Confident | 19 Ų | 19 | 77.1 Ų | 77.1 | 9% | 0.088 | 42% | 0.422 | C | S | . | . | trans | -66.8 | 148.2 | 171.3 | -170 | -98.7 | 0 | 0 | 0 | 110.2 | S579 S580 D650 H676 Y677 R678 | H577-S579 WeakPolarHBondContact ND1-CB 3.26Å; H577-S579 PolarHBondContact ND1-N 2.76Å; H577-S579 PolarHBondContact ND1-OG 2.83Å; H577-S579 PolarHBondContact O-N 3.06Å; H577-S580 WeakPolarHBondContact O-CB 3.17Å; H577-S580 PolarHBondContact O-N 2.93Å; H577-S580 PolarHBondContact O-OG 3.5Å; H577-D650 IonicContact NE2-OD1 2.92Å; H577-H676 HydrophobicContact CB-CB 4.15Å; H577-Y677 PolarHBondContact N-O 2.64Å; H577-R678 HydrophobicContact CB-CB 4.04Å | ||
| 578 | S | 77.9 | Confident | 77.4 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 81% | 0.811 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -55.7 | -27.1 | -179.1 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 579 | S | 75.4 | Confident | 77.5 | Confident | 70 Ų | 70 | 79.6 Ų | 79.6 | 49% | 0.49 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -83.2 | -3.9 | 177.6 | 75 | 0 | 0 | 0 | 0 | 115.1 | H577 G581 R678 | H577-S579 WeakPolarHBondContact ND1-CB 3.26Å; H577-S579 PolarHBondContact ND1-N 2.76Å; H577-S579 PolarHBondContact ND1-OG 2.83Å; H577-S579 PolarHBondContact O-N 3.06Å; S579-G581 VanDerWaalsContact C-N 3.3Å; S579-G581 PolarHBondContact O-N 3.47Å; S579-R678 WeakPolarHBondContact OG-CD 3.34Å; S579-R678 PolarHBondContact OG-NH1 3.28Å |
| 580 | S | 67 | Low | 77.5 | Confident | 44 Ų | 44 | 74.9 Ų | 74.9 | 31% | 0.308 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -81.3 | -7.7 | -175.5 | 75.5 | 0 | 0 | 0 | 0 | 113.9 | P576 H577 A582 | P576-S580 WeakPolarHBondContact CB-OG 3.16Å; H577-S580 WeakPolarHBondContact O-CB 3.17Å; H577-S580 PolarHBondContact O-N 2.93Å; H577-S580 PolarHBondContact O-OG 3.5Å; S580-A582 PolarHBondContact O-N 2.74Å; S580-A582 VanDerWaalsContact O-N 3.08Å |
| 581 | G | 59.7 | Low | 77.5 | Confident | 74 Ų | 74 | 77.5 Ų | 77.5 | 76% | 0.763 | 43% | 0.43 | S | S | * | . | trans | 70.1 | -2.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | S579 K583 | S579-G581 VanDerWaalsContact C-N 3.3Å; S579-G581 PolarHBondContact O-N 3.47Å; G581-K583 PolarHBondContact O-N 2.98Å | ||
| 582 | A | 60.8 | Low | 77.5 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 40% | 0.397 | 43% | 0.425 | S | S | . | . | trans | -73.3 | 122.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P576 S580 T584 | P576-A582 HydrophobicContact CB-CB 4.05Å; P576-A582 HydrophobicContact CG-CB 4.46Å; S580-A582 PolarHBondContact O-N 2.74Å; S580-A582 VanDerWaalsContact O-N 3.08Å; A582-T584 PolarHBondContact O-N 3.1Å | ||
| 583 | K | 51.3 | Low | 77.3 | Confident | 193 Ų | 193 | 77.9 Ų | 77.9 | 84% | 0.839 | 44% | 0.435 | S | S | * | . | trans | -65.1 | 127.1 | 172.6 | -72 | -178.4 | 179.7 | 176 | 0 | 108.8 | G581 L585 | G581-K583 PolarHBondContact O-N 2.98Å; K583-L585 PolarHBondContact O-N 3.42Å | ||
| 584 | T | 54.3 | Low | 77.2 | Confident | 144 Ų | 144 | 75.8 Ų | 75.8 | 88% | 0.883 | 43% | 0.428 | S | S | * | . | trans | -24.9 | 92.3 | -178.2 | 14.5 | 0 | 0 | 0 | 0 | 114.3 | A582 | A582-T584 PolarHBondContact O-N 3.1Š| ||
| 585 | L | 55.4 | Low | 77.2 | Confident | 116 Ų | 116 | 76.5 Ų | 76.5 | 61% | 0.607 | 43% | 0.431 | S | S | * | . | trans | -78.4 | 154.7 | 163.6 | -94.9 | 141 | 0 | 0 | 0 | 109.3 | K583 K587 | K583-L585 PolarHBondContact O-N 3.42Å; L585-K587 PolarHBondContact O-N 3.28Å | ||
| 586 | K | 59.5 | Low | 77.4 | Confident | 177 Ų | 177 | 76.5 Ų | 76.5 | 77% | 0.77 | 43% | 0.432 | S | S | * | . | trans | -47.8 | 135.7 | -175.3 | -146.2 | 173.7 | -177.4 | -179.7 | 0 | 110.4 | D588 | K586-D588 PolarHBondContact O-N 2.95Š| ||
| 587 | K | 67.3 | Low | 77.6 | Confident | 108 Ų | 108 | 79 Ų | 79 | 47% | 0.47 | 44% | 0.442 | S | S | . | . | trans | -67.1 | 99.7 | 174.7 | 179.6 | 171.7 | -168.7 | 176.5 | 0 | 108.6 | Y573 Q575 L585 R589 | Y573-K587 HydrophobicContact CD1-CD 3.78Å; Y573-K587 HydrophobicContact CD1-CG 3.42Å; Y573-K587 VanDerWaalsContact CD1-CG 3.42Å; Y573-K587 VanDerWaalsContact CD2-CE 3.42Å; Y573-K587 HydrophobicContact CE1-CD 3.83Å; Y573-K587 VanDerWaalsContact CE1-CE 3.41Å; Y573-K587 HydrophobicContact CE1-CG 3.79Å; Y573-K587 HydrophobicContact CG-CD 4.22Å; Y573-K587 HydrophobicContact CG-CG 4.11Å; Q575-K587 HydrophobicContact CG-CG 4.45Å; Q575-K587 VanDerWaalsContact NE2-CD 3.28Å; Q575-K587 VanDerWaalsContact NE2-CG 3.28Å; L585-K587 PolarHBondContact O-N 3.28Å; K587-R589 PolarHBondContact O-N 3.28Å | ||
| 588 | D | 79.9 | Confident | 78 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 116.9 | -179.9 | -70.4 | -26.3 | 0 | 0 | 0 | 109.7 | Y573 L574 K586 | Y573-D588 WeakPolarHBondContact CA-O 3.36Å; L574-D588 PolarHBondContact N-O 3.45Å; K586-D588 PolarHBondContact O-N 2.95Å |
| 589 | R | 91.2 | Very high | 78.8 | Confident | 153 Ų | 153 | 76 Ų | 76 | 58% | 0.577 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 109.1 | 172.5 | -165.5 | 178.2 | -174.3 | -166.8 | -0.6 | 108.2 | Y573 K587 D672 | Y573-R589 HydrophobicContact CD1-CB 3.87Å; Y573-R589 HydrophobicContact CD1-CG 4.03Å; Y573-R589 HydrophobicContact CE1-CB 3.58Å; Y573-R589 HydrophobicContact CE1-CG 3.63Å; K587-R589 PolarHBondContact O-N 3.28Å; R589-D672 IonicContact CZ-OD2 2.96Å; R589-D672 VanDerWaalsContact CZ-OD2 3.29Å; R589-D672 IonicContact NE-OD2 3.28Å; R589-D672 PolarHBondContact NE-OD2 3.45Å; R589-D672 VanDerWaalsContact NE-OD2 3.09Å; R589-D672 IonicContact NH2-OD2 3.46Å; R589-D672 PolarHBondContact NH2-OD2 3.23Å |
| 590 | L | 93.8 | Very high | 79.6 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 163.2 | 179.9 | -60.3 | 177.4 | 0 | 0 | 0 | 110.5 | P571 F572 L574 | P571-L590 WeakPolarHBondContact CA-O 3.39Å; F572-L590 HydrophobicContact CD1-CB 4.35Å; F572-L590 HydrophobicContact CD2-CB 4.41Å; F572-L590 HydrophobicContact CE1-CB 3.84Å; F572-L590 HydrophobicContact CE2-CB 3.91Å; F572-L590 HydrophobicContact CE2-CD1 3.93Å; F572-L590 HydrophobicContact CE2-CG 4.48Å; F572-L590 HydrophobicContact CZ-CB 3.6Å; F572-L590 HydrophobicContact CZ-CD1 3.97Å; F572-L590 HydrophobicContact CZ-CG 4.43Å; F572-L590 PolarHBondContact N-O 3.46Å; F572-L590 PolarHBondContact O-N 3.34Å; F572-L590 VanDerWaalsContact O-O 3.13Å; L574-L590 HydrophobicContact CB-CD1 4.13Å; L574-L590 HydrophobicContact CD2-CD1 3.84Å |
| 591 | S | 93.3 | Very high | 80.9 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 128 | 171.2 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | I570 | I570-S591 WeakPolarHBondContact O-CA 3.34Å |
| 592 | A | 93.8 | Very high | 82.4 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 172.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K569 I570 F572 L596 L659 | K569-A592 CarbonylContact C-O 3.54Å; K569-A592 WeakPolarHBondContact CA-O 3.17Å; K569-A592 WeakPolarHBondContact CB-O 3.34Å; I570-A592 PolarHBondContact N-O 2.89Å; I570-A592 PolarHBondContact O-N 2.85Å; F572-A592 HydrophobicContact CE1-CB 3.91Å; A592-L596 HydrophobicContact CB-CB 4.16Å; A592-L596 HydrophobicContact CB-CD2 3.51Å; A592-L596 HydrophobicContact CB-CG 4.38Å; A592-L659 HydrophobicContact CB-CD1 4.15Å |
| 593 | S | 92.6 | Very high | 83.9 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 143.1 | 168.6 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | N568 M595 L596 | N568-S593 WeakPolarHBondContact O-CA 3.19Å; S593-M595 PolarHBondContact O-N 2.82Å; S593-M595 PolarHBondContact OG-N 2.83Å; S593-L596 VanDerWaalsContact O-CB 3.3Å; S593-L596 WeakPolarHBondContact O-CB 3.39Å; S593-L596 PolarHBondContact O-N 2.83Å; S593-L596 VanDerWaalsContact O-N 3.09Å |
| 594 | D | 91.8 | Very high | 85.7 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.3 | 173.5 | 70.8 | -41.3 | 0 | 0 | 0 | 113.3 | N568 I570 R660 | N568-D594 HydrophobicContact CB-CB 4.36Å; N568-D594 PolarHBondContact O-N 3.18Å; I570-D594 HydrophobicContact CD1-CB 3.72Å; I570-D594 HydrophobicContact CG1-CB 3.8Å; D594-R660 HydrophobicContact CB-CB 4.25Å; D594-R660 WeakPolarHBondContact O-CG 3.47Å; D594-R660 PolarHBondContact O-N 3.34Å; D594-R660 VanDerWaalsContact O-N 3.14Å; D594-R660 WeakPolarHBondContact OD2-CD 3.44Å; D594-R660 IonicContact OD2-NH1 3.55Å; D594-R660 PolarHBondContact OD2-NH1 2.88Å |
| 595 | M | 92 | Very high | 87.3 | Confident | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 2.5 | 175.8 | -60.7 | 178.5 | -71.7 | 0 | 0 | 114.1 | W446 K463 F567 S593 Q597 | W446-M595 HydrophobicContact CB-CE 3.52Å; W446-M595 HydrophobicContact CB-CG 4.4Å; W446-M595 HydrophobicContact CB-SD 3.43Å; W446-M595 WeakPolarHBondContact CB-SD 3.45Å; W446-M595 HydrophobicContact CG-CE 4.26Å; W446-M595 VanDerWaalsContact O-SD 3.38Å; K463-M595 HydrophobicContact CB-CE 3.97Å; K463-M595 HydrophobicContact CD-CE 4.1Å; K463-M595 HydrophobicContact CD-SD 4.08Å; K463-M595 HydrophobicContact CG-CE 3.83Å; K463-M595 HydrophobicContact CG-SD 4.42Å; F567-M595 HydrophobicContact CD1-CE 3.76Å; F567-M595 HydrophobicContact CE1-CE 3.87Å; S593-M595 PolarHBondContact O-N 2.82Å; S593-M595 PolarHBondContact OG-N 2.83Å; M595-Q597 PolarHBondContact O-N 2.91Å |
| 596 | L | 93.7 | Very high | 88.8 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | trans | -62.7 | 128 | 179.7 | -171.3 | 73.9 | 0 | 0 | 0 | 109.4 | A592 S593 K600 V601 D658 L659 | A592-L596 HydrophobicContact CB-CB 4.16Å; A592-L596 HydrophobicContact CB-CD2 3.51Å; A592-L596 HydrophobicContact CB-CG 4.38Å; S593-L596 VanDerWaalsContact O-CB 3.3Å; S593-L596 WeakPolarHBondContact O-CB 3.39Å; S593-L596 PolarHBondContact O-N 2.83Å; S593-L596 VanDerWaalsContact O-N 3.09Å; L596-K600 HydrophobicContact CD1-CB 3.67Å; L596-K600 HydrophobicContact CD1-CG 4.06Å; L596-K600 HydrophobicContact CD2-CB 4.37Å; L596-K600 HydrophobicContact CG-CB 4.02Å; L596-V601 HydrophobicContact CD2-CG2 3.85Å; L596-D658 CarbonylContact O-C 3.56Å; L596-D658 VanDerWaalsContact O-CA 3.32Å; L596-D658 WeakPolarHBondContact O-CA 3.33Å; L596-L659 HydrophobicContact CB-CD1 4.06Å; L596-L659 HydrophobicContact CB-CG 4.26Å; L596-L659 HydrophobicContact CD2-CD1 4.27Å; L596-L659 WeakPolarHBondContact O-CG 3.41Å; L596-L659 PolarHBondContact O-N 3.33Å | ||
| 597 | Q | 93.4 | Very high | 90 | Very high | 78 Ų | 78 | 47.9 Ų | 47.9 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -71.9 | 148 | 176 | -73.3 | 178.3 | -20.6 | 0 | 0 | 111.4 | M595 R599 K600 M657 | M595-Q597 PolarHBondContact O-N 2.91Å; Q597-R599 PolarHBondContact O-N 3.14Å; Q597-K600 PolarHBondContact O-N 2.91Å; Q597-K600 VanDerWaalsContact O-N 3.09Å; Q597-M657 CarbonylContact C-O 3.6Å; Q597-M657 WeakPolarHBondContact CA-O 3.29Å |
| 598 | V | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.3 | -39.7 | 175.1 | 164 | 0 | 0 | 0 | 0 | 111.1 | K600 V601 M602 L646 L653 D654 P655 M657 V662 | V598-K600 VanDerWaalsContact C-N 3.29Å; V598-K600 PolarHBondContact O-N 3.22Å; V598-V601 WeakPolarHBondContact O-CA 3.43Å; V598-V601 WeakPolarHBondContact O-CB 3.43Å; V598-V601 PolarHBondContact O-N 3.37Å; V598-M602 HydrophobicContact CG1-CG 4.35Å; V598-M602 HydrophobicContact CG1-SD 3.96Å; V598-M602 WeakPolarHBondContact O-CG 3.36Å; V598-M602 PolarHBondContact O-N 3.49Å; V598-L646 HydrophobicContact CG1-CB 4.1Å; V598-L646 HydrophobicContact CG1-CD2 3.81Å; V598-L653 HydrophobicContact CG1-CB 3.87Å; V598-L653 HydrophobicContact CG1-CD1 4.43Å; V598-L653 HydrophobicContact CG2-CB 4.19Å; V598-L653 HydrophobicContact CG2-CD1 4.08Å; V598-D654 WeakPolarHBondContact CB-O 3.44Å; V598-P655 PolarHBondContact N-O 3.1Å; V598-M657 HydrophobicContact CG2-CB 4.28Å; V598-M657 WeakPolarHBondContact CG2-O 3.32Å; V598-M657 PolarHBondContact N-O 3.33Å; V598-V662 HydrophobicContact CG2-CG2 3.85Å |
| 599 | R | 93.5 | Very high | 90.4 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 27% | 0.272 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -52.1 | -43.6 | 175.5 | -176.7 | -178.6 | -77 | 169.1 | 1.1 | 113.2 | Q597 V601 M602 E603 E641 P655 | Q597-R599 PolarHBondContact O-N 3.14Å; R599-V601 PolarHBondContact O-N 3.39Å; R599-M602 WeakPolarHBondContact O-CA 3.18Å; R599-M602 WeakPolarHBondContact O-CB 3.48Å; R599-M602 PolarHBondContact O-N 3.26Å; R599-E603 PolarHBondContact O-N 3.13Å; R599-E641 IonicContact CZ-OE2 3.76Å; R599-E641 IonicContact NE-OE2 3.03Å; R599-E641 PolarHBondContact NE-OE2 3.44Å; R599-E641 IonicContact NH2-OE1 3.74Å; R599-E641 IonicContact NH2-OE2 2.77Å; R599-E641 PolarHBondContact NH2-OE2 3.18Å; R599-P655 HydrophobicContact CB-CB 3.99Å; R599-P655 PolarHBondContact N-O 3.42Å |
| 600 | K | 93.3 | Very high | 89.5 | Confident | 75 Ų | 75 | 41.1 Ų | 41.1 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.2 | -26.8 | 178.5 | -70.3 | -56.4 | -171.4 | -179.8 | 0 | 112.8 | L596 Q597 V598 E603 H604 E633 | L596-K600 HydrophobicContact CD1-CB 3.67Å; L596-K600 HydrophobicContact CD1-CG 4.06Å; L596-K600 HydrophobicContact CD2-CB 4.37Å; L596-K600 HydrophobicContact CG-CB 4.02Å; Q597-K600 PolarHBondContact O-N 2.91Å; Q597-K600 VanDerWaalsContact O-N 3.09Å; V598-K600 VanDerWaalsContact C-N 3.29Å; V598-K600 PolarHBondContact O-N 3.22Å; K600-E603 WeakPolarHBondContact CD-OE2 3.3Å; K600-E603 WeakPolarHBondContact CE-OE2 3.39Å; K600-E603 IonicContact NZ-OE1 3.9Å; K600-E603 IonicContact NZ-OE2 2.8Å; K600-E603 PolarHBondContact NZ-OE2 2.86Å; K600-H604 PolarHBondContact O-N 2.84Å; K600-E633 IonicContact NZ-OE1 3.47Å; K600-E633 PolarHBondContact NZ-OE1 2.75Å; K600-E633 VanDerWaalsContact NZ-OE1 3.14Å |
| 601 | V | 93.2 | Very high | 88.2 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.2 | -35.5 | 171 | -174.8 | 0 | 0 | 0 | 0 | 111 | F572 L574 L596 V598 R599 H604 V605 L646 L659 L675 | F572-V601 HydrophobicContact CE2-CG1 4.33Å; F572-V601 HydrophobicContact CZ-CG2 4.39Å; L574-V601 HydrophobicContact CD1-CG1 4.06Å; L574-V601 HydrophobicContact CD2-CG1 4.35Å; L596-V601 HydrophobicContact CD2-CG2 3.85Å; V598-V601 WeakPolarHBondContact O-CA 3.43Å; V598-V601 WeakPolarHBondContact O-CB 3.43Å; V598-V601 PolarHBondContact O-N 3.37Å; R599-V601 PolarHBondContact O-N 3.39Å; V601-H604 WeakPolarHBondContact O-CB 3.49Å; V601-H604 PolarHBondContact O-N 2.88Å; V601-V605 WeakPolarHBondContact O-CG2 3.48Å; V601-V605 PolarHBondContact O-N 2.89Å; V601-L646 HydrophobicContact CB-CD2 3.81Å; V601-L646 HydrophobicContact CG1-CD1 4.24Å; V601-L646 HydrophobicContact CG1-CD2 3.73Å; V601-L659 HydrophobicContact CG2-CD2 4.19Å; V601-L675 HydrophobicContact CG1-CD1 4.35Å |
| 602 | M | 91.6 | Very high | 86.3 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | 174.5 | -60.6 | 164 | 72.6 | 0 | 0 | 111.6 | V598 R599 H604 V605 Y606 E641 I644 L646 P655 | V598-M602 HydrophobicContact CG1-CG 4.35Å; V598-M602 HydrophobicContact CG1-SD 3.96Å; V598-M602 WeakPolarHBondContact O-CG 3.36Å; V598-M602 PolarHBondContact O-N 3.49Å; R599-M602 WeakPolarHBondContact O-CA 3.18Å; R599-M602 WeakPolarHBondContact O-CB 3.48Å; R599-M602 PolarHBondContact O-N 3.26Å; M602-H604 VanDerWaalsContact C-N 3.3Å; M602-H604 PolarHBondContact O-N 3.47Å; M602-V605 PolarHBondContact O-N 3.02Å; M602-Y606 WeakPolarHBondContact O-CB 3.37Å; M602-Y606 PolarHBondContact O-N 3.35Å; M602-E641 HydrophobicContact CE-CB 4.38Å; M602-E641 HydrophobicContact CE-CG 4.25Å; M602-I644 HydrophobicContact CB-CB 4.31Å; M602-I644 HydrophobicContact CB-CG2 4.28Å; M602-I644 HydrophobicContact CE-CB 4.38Å; M602-I644 WeakPolarHBondContact CE-O 3.23Å; M602-I644 HydrophobicContact CG-CG2 4.37Å; M602-L646 HydrophobicContact CG-CB 4Å; M602-P655 HydrophobicContact CE-CG 4.43Å; M602-P655 HydrophobicContact SD-CB 4.12Å; M602-P655 HydrophobicContact SD-CG 4.05Å |
| 603 | E | 91.8 | Very high | 84 | Confident | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.5 | -46.3 | 171.9 | -72 | 168.9 | -150 | 0 | 0 | 110.9 | R599 K600 V605 Y606 E607 A637 A640 | R599-E603 PolarHBondContact O-N 3.13Å; K600-E603 WeakPolarHBondContact CD-OE2 3.3Å; K600-E603 WeakPolarHBondContact CE-OE2 3.39Å; K600-E603 IonicContact NZ-OE1 3.9Å; K600-E603 IonicContact NZ-OE2 2.8Å; K600-E603 PolarHBondContact NZ-OE2 2.86Å; E603-V605 PolarHBondContact O-N 2.83Å; E603-Y606 PolarHBondContact O-N 2.75Å; E603-E607 WeakPolarHBondContact O-CB 3.39Å; E603-E607 WeakPolarHBondContact O-CG 3.37Å; E603-E607 PolarHBondContact O-N 3.3Å; E603-A637 WeakPolarHBondContact OE1-CB 3.28Å; E603-A640 HydrophobicContact CB-CB 4.46Å; E603-A640 HydrophobicContact CG-CB 3.96Å |
| 604 | H | 90.3 | Very high | 81.7 | Confident | 71 Ų | 71 | 52 Ų | 52 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 176.3 | -179.4 | 70.8 | 0 | 0 | 0 | 112.9 | K600 V601 M602 K608 | K600-H604 PolarHBondContact O-N 2.84Å; V601-H604 WeakPolarHBondContact O-CB 3.49Å; V601-H604 PolarHBondContact O-N 2.88Å; M602-H604 VanDerWaalsContact C-N 3.3Å; M602-H604 PolarHBondContact O-N 3.47Å; H604-K608 VanDerWaalsContact O-CB 3.29Å; H604-K608 WeakPolarHBondContact O-CB 3.24Å; H604-K608 PolarHBondContact O-N 2.97Å |
| 605 | V | 88.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L574 V601 M602 E603 I609 I610 I644 Y677 | L574-V605 HydrophobicContact CD1-CG2 4.23Å; L574-V605 HydrophobicContact CD2-CG2 3.83Å; L574-V605 HydrophobicContact CG-CG2 4.42Å; V601-V605 WeakPolarHBondContact O-CG2 3.48Å; V601-V605 PolarHBondContact O-N 2.89Å; M602-V605 PolarHBondContact O-N 3.02Å; E603-V605 PolarHBondContact O-N 2.83Å; V605-I609 HydrophobicContact CG1-CB 4.38Å; V605-I609 HydrophobicContact CG2-CD1 4.2Å; V605-I609 WeakPolarHBondContact O-CA 3.28Å; V605-I609 VanDerWaalsContact O-CB 3.31Å; V605-I609 WeakPolarHBondContact O-CB 3.43Å; V605-I609 PolarHBondContact O-N 2.97Å; V605-I610 HydrophobicContact CG1-CD1 4.17Å; V605-I610 HydrophobicContact CG1-CG1 4.11Å; V605-I610 PolarHBondContact O-N 2.98Å; V605-I644 HydrophobicContact CB-CG2 4.28Å; V605-I644 HydrophobicContact CG1-CD1 4.11Å; V605-I644 HydrophobicContact CG1-CG1 4.5Å; V605-I644 HydrophobicContact CG1-CG2 4.05Å; V605-Y677 HydrophobicContact CG1-CD1 4.42Å; V605-Y677 HydrophobicContact CG1-CD2 3.57Å; V605-Y677 HydrophobicContact CG1-CE2 4.21Å; V605-Y677 HydrophobicContact CG1-CG 3.71Å; V605-Y677 HydrophobicContact CG2-CD1 4.04Å; V605-Y677 HydrophobicContact CG2-CG 3.95Å |
| 606 | Y | 86.7 | Confident | 77 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -60.3 | -49.9 | -178.7 | -176.6 | -117.6 | 0 | 0 | 0 | 111.4 | M602 E603 N611 M636 L639 A640 K643 I644 | M602-Y606 WeakPolarHBondContact O-CB 3.37Å; M602-Y606 PolarHBondContact O-N 3.35Å; E603-Y606 PolarHBondContact O-N 2.75Å; Y606-N611 VanDerWaalsContact CE1-ND2 3.28Å; Y606-N611 WeakPolarHBondContact CE1-ND2 3.4Å; Y606-N611 VanDerWaalsContact O-CB 3.27Å; Y606-N611 WeakPolarHBondContact O-CB 3.17Å; Y606-N611 VanDerWaalsContact O-CG 3.23Å; Y606-N611 PolarHBondContact O-N 2.86Å; Y606-N611 PolarHBondContact O-ND2 2.86Å; Y606-M636 HydrophobicContact CD1-CE 3.79Å; Y606-M636 HydrophobicContact CD1-SD 4.45Å; Y606-M636 HydrophobicContact CE1-CE 3.94Å; Y606-M636 HydrophobicContact CE1-SD 4.02Å; Y606-L639 HydrophobicContact CE1-CB 4.24Å; Y606-A640 HydrophobicContact CD1-CB 4.2Å; Y606-A640 HydrophobicContact CG-CB 4.14Å; Y606-K643 HydrophobicContact CD2-CB 4.35Å; Y606-K643 HydrophobicContact CD2-CD 4.33Å; Y606-K643 HydrophobicContact CE2-CB 4.24Å; Y606-K643 HydrophobicContact CE2-CD 3.44Å; Y606-K643 VanDerWaalsContact CE2-CD 3.44Å; Y606-K643 HydrophobicContact CE2-CG 4.44Å; Y606-K643 PolarHBondContact OH-NZ 3.37Å; Y606-I644 HydrophobicContact CD2-CD1 4.31Å; Y606-I644 HydrophobicContact CD2-CG1 4.38Å |
| 607 | E | 84.9 | Confident | 74.4 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -72.6 | -47.9 | -177.7 | -71.5 | -177.6 | -179.4 | 0 | 0 | 113.8 | E603 M636 | E603-E607 WeakPolarHBondContact O-CB 3.39Å; E603-E607 WeakPolarHBondContact O-CG 3.37Å; E603-E607 PolarHBondContact O-N 3.3Å; E607-M636 HydrophobicContact CG-CE 3.5Å; E607-M636 VanDerWaalsContact CG-CE 3.5Å; E607-M636 WeakPolarHBondContact OE1-CE 3.39Å |
| 608 | K | 80.8 | Confident | 71.5 | Confident | 123 Ų | 123 | 71.9 Ų | 71.9 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -99.9 | -15.6 | -165 | -59.8 | -61.1 | -177.1 | -171.3 | 0 | 114.1 | H604 L612 | H604-K608 VanDerWaalsContact O-CB 3.29Å; H604-K608 WeakPolarHBondContact O-CB 3.24Å; H604-K608 PolarHBondContact O-N 2.97Å; K608-L612 WeakPolarHBondContact O-CD1 3.4Å |
| 609 | I | 74.9 | Confident | 68.7 | Low | 35 Ų | 35 | 78.3 Ų | 78.3 | 18% | 0.179 | 40% | 0.403 | C | S | . | . | I | π-helix | trans | -116.8 | -47.4 | -174.9 | -54.1 | -177.8 | 0 | 0 | 0 | 110.8 | L574 V605 Y677 | L574-I609 HydrophobicContact CD2-CD1 3.97Å; V605-I609 HydrophobicContact CG1-CB 4.38Å; V605-I609 HydrophobicContact CG2-CD1 4.2Å; V605-I609 WeakPolarHBondContact O-CA 3.28Å; V605-I609 VanDerWaalsContact O-CB 3.31Å; V605-I609 WeakPolarHBondContact O-CB 3.43Å; V605-I609 PolarHBondContact O-N 2.97Å; I609-Y677 HydrophobicContact CD1-CE1 3.93Å; I609-Y677 HydrophobicContact CG2-CE2 3.85Å; I609-Y677 WeakPolarHBondContact CG2-OH 3.48Å |
| 610 | I | 71.3 | Confident | 66 | Low | 34 Ų | 34 | 80.3 Ų | 80.3 | 17% | 0.174 | 43% | 0.428 | C | S | . | . | I | π-helix | trans | -92.5 | -41.5 | -174.3 | -56 | -162.8 | 0 | 0 | 0 | 112.8 | V605 L612 D613 I644 Q679 | V605-I610 HydrophobicContact CG1-CD1 4.17Å; V605-I610 HydrophobicContact CG1-CG1 4.11Å; V605-I610 PolarHBondContact O-N 2.98Å; I610-L612 VanDerWaalsContact C-N 3.29Å; I610-L612 PolarHBondContact O-N 2.77Å; I610-D613 PolarHBondContact O-N 3.38Å; I610-I644 HydrophobicContact CD1-CD1 3.37Å; I610-I644 HydrophobicContact CG1-CD1 4.26Å; I610-Q679 HydrophobicContact CD1-CB 4.35Å |
| 611 | N | 66.8 | Low | 63.1 | Low | 44 Ų | 44 | 81.5 Ų | 81.5 | 24% | 0.235 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -74 | -16.6 | -179 | -77.1 | -15.3 | 0 | 0 | 0 | 114.4 | Y606 D613 N614 E615 | Y606-N611 VanDerWaalsContact CE1-ND2 3.28Å; Y606-N611 WeakPolarHBondContact CE1-ND2 3.4Å; Y606-N611 VanDerWaalsContact O-CB 3.27Å; Y606-N611 WeakPolarHBondContact O-CB 3.17Å; Y606-N611 VanDerWaalsContact O-CG 3.23Å; Y606-N611 PolarHBondContact O-N 2.86Å; Y606-N611 PolarHBondContact O-ND2 2.86Å; N611-D613 VanDerWaalsContact C-N 3.27Å; N611-D613 PolarHBondContact O-N 3.13Å; N611-N614 PolarHBondContact O-N 3.11Å; N611-E615 PolarHBondContact O-N 3.28Å |
| 612 | L | 53.2 | Low | 60.3 | Low | 110 Ų | 110 | 87.2 Ų | 87.2 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.7 | -25.7 | 174.3 | -106.3 | 144.5 | 0 | 0 | 0 | 112.9 | K608 I610 | K608-L612 WeakPolarHBondContact O-CD1 3.4Å; I610-L612 VanDerWaalsContact C-N 3.29Å; I610-L612 PolarHBondContact O-N 2.77Å |
| 613 | D | 46.2 | Very low | 57.9 | Low | 126 Ų | 126 | 91.2 Ų | 91.2 | 67% | 0.674 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -77 | -26 | 175.2 | -81.3 | -17.9 | 0 | 0 | 0 | 112.3 | I610 N611 S616 | I610-D613 PolarHBondContact O-N 3.38Å; N611-D613 VanDerWaalsContact C-N 3.27Å; N611-D613 PolarHBondContact O-N 3.13Å; D613-S616 PolarHBondContact O-OG 3.32Å |
| 614 | N | 44.4 | Very low | 55.5 | Low | 119 Ų | 119 | 97.8 Ų | 97.8 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -87.6 | -23.5 | -177.5 | -90.8 | -14.1 | 0 | 0 | 0 | 115 | N611 S616 Q617 | N611-N614 PolarHBondContact O-N 3.11Å; N614-S616 PolarHBondContact O-N 3.23Å; N614-S616 VanDerWaalsContact O-N 3.15Å; N614-Q617 PolarHBondContact O-N 3.13Å |
| 615 | E | 42.8 | Very low | 52.9 | Low | 173 Ų | 173 | 101.9 Ų | 101.9 | 81% | 0.808 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -4.5 | 176.9 | -79.7 | -164.5 | 159.9 | 0 | 0 | 113.9 | N611 Q617 | N611-E615 PolarHBondContact O-N 3.28Å; E615-Q617 PolarHBondContact O-N 2.6Å |
| 616 | S | 41.6 | Very low | 50.6 | Low | 100 Ų | 100 | 111.4 Ų | 111.4 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -5 | 171 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | D613 N614 | D613-S616 PolarHBondContact O-OG 3.32Å; N614-S616 PolarHBondContact O-N 3.23Å; N614-S616 VanDerWaalsContact O-N 3.15Å |
| 617 | Q | 38.9 | Very low | 48.4 | Very low | 165 Ų | 165 | 113 Ų | 113 | 77% | 0.771 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -141.6 | 85.3 | 173.1 | -69.9 | -174.5 | 2.1 | 0 | 0 | 111.3 | N614 E615 | N614-Q617 PolarHBondContact O-N 3.13Å; E615-Q617 PolarHBondContact O-N 2.6Å |
| 618 | T | 32.9 | Very low | 46.3 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 83% | 0.828 | 64% | 0.637 | S | S | * | * | trans | 176.5 | 107.3 | 133.6 | 32.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 619 | T | 35.6 | Very low | 45 | Very low | 134 Ų | 134 | 113.9 Ų | 113.9 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | trans | -85.6 | 142.5 | 160.7 | 43.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 620 | S | 36.7 | Very low | 43.8 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | trans | 76.3 | 132.7 | 175.9 | 79 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 621 | S | 32.4 | Very low | 42.9 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | cis | -170.4 | 156.9 | 33.8 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 622 | S | 34.2 | Very low | 42.5 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | trans | 73.2 | 144.4 | 144.4 | -50.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 623 | A | 41.7 | Very low | 42.9 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | -92.1 | 172.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 624 | N | 41.2 | Very low | 43.6 | Very low | 155 Ų | 155 | 128 Ų | 128 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | 81.6 | 90.1 | 161.2 | -73.4 | 0.1 | 0 | 0 | 0 | 118.7 | ||||
| 625 | D | 36.8 | Very low | 44.8 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | -165.6 | 138.1 | 108.5 | -111.2 | -27.5 | 0 | 0 | 0 | 108.1 | P627 | D625-P627 WeakPolarHBondContact O-CD 3.46Š| |||
| 626 | K | 39.1 | Very low | 46.3 | Very low | 200 Ų | 200 | 121.4 Ų | 121.4 | 87% | 0.87 | 68% | 0.676 | S | S | * | * | trans | -99.9 | 97.1 | 172.4 | -86.7 | -169 | 177.8 | -174.5 | 0 | 108.3 | ||||
| 627 | P | 39.4 | Very low | 48.1 | Very low | 52 Ų | 52 | 117.2 Ų | 117.2 | 34% | 0.338 | 65% | 0.647 | S | S | . | * | trans | -64 | 150.9 | 161.5 | 17.3 | -18.5 | 0 | 0 | 0 | 109.3 | D625 E631 K632 | D625-P627 WeakPolarHBondContact O-CD 3.46Å; P627-E631 HydrophobicContact CB-CB 4.26Å; P627-K632 HydrophobicContact CB-CG 4.35Å; P627-K632 VanDerWaalsContact CD-CE 3.49Å; P627-K632 HydrophobicContact CG-CD 4.31Å; P627-K632 VanDerWaalsContact CG-CE 3.47Å; P627-K632 HydrophobicContact CG-CG 3.82Å | ||
| 628 | G | 42.6 | Very low | 50.1 | Low | 45 Ų | 45 | 115.8 Ų | 115.8 | 46% | 0.464 | 64% | 0.642 | S | S | . | * | trans | -56.7 | 147.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q630 E631 K632 | G628-Q630 PolarHBondContact O-N 3.24Å; G628-E631 PolarHBondContact O-N 3.4Å; G628-K632 PolarHBondContact O-N 2.98Å | ||
| 629 | E | 51.9 | Low | 52.5 | Low | 180 Ų | 180 | 112.4 Ų | 112.4 | 84% | 0.841 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -54.2 | -29.7 | -175.8 | -71.7 | 179.6 | 160.4 | 0 | 0 | 113.1 | E633 | E629-E633 PolarHBondContact O-N 3.24Å |
| 630 | Q | 50.9 | Low | 54.9 | Low | 164 Ų | 164 | 106 Ų | 106 | 77% | 0.766 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.7 | -41.9 | 174.4 | -95.8 | 170.4 | -29.9 | 0 | 0 | 114.4 | G628 K632 E633 E634 | G628-Q630 PolarHBondContact O-N 3.24Å; Q630-K632 VanDerWaalsContact C-N 3.32Å; Q630-K632 PolarHBondContact O-N 3.29Å; Q630-E633 PolarHBondContact O-N 2.98Å; Q630-E634 PolarHBondContact O-N 2.77Å; Q630-E634 VanDerWaalsContact O-N 3.1Å |
| 631 | E | 51.8 | Low | 57.2 | Low | 122 Ų | 122 | 103.3 Ų | 103.3 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -37.1 | 178.9 | -75.1 | 178.5 | 156.5 | 0 | 0 | 111.1 | P627 G628 E633 D635 | P627-E631 HydrophobicContact CB-CB 4.26Å; G628-E631 PolarHBondContact O-N 3.4Å; E631-E633 PolarHBondContact O-N 3.23Å; E631-D635 WeakPolarHBondContact O-CB 3.28Å; E631-D635 PolarHBondContact O-N 3.06Å |
| 632 | K | 58.9 | Low | 59.8 | Low | 105 Ų | 105 | 105 Ų | 105 | 46% | 0.457 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.8 | -36.7 | 175.1 | -72.4 | -171 | 178.3 | -175.2 | 0 | 113.1 | P627 G628 Q630 M636 | P627-K632 HydrophobicContact CB-CG 4.35Å; P627-K632 VanDerWaalsContact CD-CE 3.49Å; P627-K632 HydrophobicContact CG-CD 4.31Å; P627-K632 VanDerWaalsContact CG-CE 3.47Å; P627-K632 HydrophobicContact CG-CG 3.82Å; G628-K632 PolarHBondContact O-N 2.98Å; Q630-K632 VanDerWaalsContact C-N 3.32Å; Q630-K632 PolarHBondContact O-N 3.29Å; K632-M636 WeakPolarHBondContact O-CB 3.46Å; K632-M636 WeakPolarHBondContact O-CG 3.35Å; K632-M636 PolarHBondContact O-N 2.98Å; K632-M636 VanDerWaalsContact O-N 3.11Å |
| 633 | E | 60.2 | Low | 62.3 | Low | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.2 | -38.2 | -179.6 | -150 | -176.4 | 166.9 | 0 | 0 | 111.3 | K600 E629 Q630 E631 A637 | K600-E633 IonicContact NZ-OE1 3.47Å; K600-E633 PolarHBondContact NZ-OE1 2.75Å; K600-E633 VanDerWaalsContact NZ-OE1 3.14Å; E629-E633 PolarHBondContact O-N 3.24Å; Q630-E633 PolarHBondContact O-N 2.98Å; E631-E633 PolarHBondContact O-N 3.23Å; E633-A637 WeakPolarHBondContact O-CB 3.43Å; E633-A637 PolarHBondContact O-N 3.27Å |
| 634 | E | 62.2 | Low | 64.6 | Low | 143 Ų | 143 | 98.7 Ų | 98.7 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.7 | -43.2 | 174.3 | -73.9 | -171.8 | 161.8 | 0 | 0 | 112.7 | Q630 M636 A637 M638 | Q630-E634 PolarHBondContact O-N 2.77Å; Q630-E634 VanDerWaalsContact O-N 3.1Å; E634-M636 VanDerWaalsContact C-N 3.32Å; E634-M636 PolarHBondContact O-N 3.26Å; E634-A637 PolarHBondContact O-N 2.93Å; E634-M638 WeakPolarHBondContact O-CG 3.35Å; E634-M638 PolarHBondContact O-N 2.93Å |
| 635 | D | 69.1 | Low | 67 | Low | 101 Ų | 101 | 93.2 Ų | 93.2 | 54% | 0.54 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 175.1 | -89.5 | -15.6 | 0 | 0 | 0 | 111.9 | E631 M638 L639 | E631-D635 WeakPolarHBondContact O-CB 3.28Å; E631-D635 PolarHBondContact O-N 3.06Å; D635-M638 PolarHBondContact O-N 3.46Å; D635-L639 WeakPolarHBondContact O-CB 3.24Å; D635-L639 WeakPolarHBondContact O-CD1 3.3Å; D635-L639 VanDerWaalsContact O-CG 3.29Å; D635-L639 WeakPolarHBondContact O-CG 3.41Å; D635-L639 PolarHBondContact O-N 2.59Å |
| 636 | M | 74.4 | Confident | 69.7 | Low | 53 Ų | 53 | 85.9 Ų | 85.9 | 26% | 0.261 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 177.5 | -85.7 | -68.5 | -66 | 0 | 0 | 113 | Y606 E607 K632 E634 M638 L639 A640 | Y606-M636 HydrophobicContact CD1-CE 3.79Å; Y606-M636 HydrophobicContact CD1-SD 4.45Å; Y606-M636 HydrophobicContact CE1-CE 3.94Å; Y606-M636 HydrophobicContact CE1-SD 4.02Å; E607-M636 HydrophobicContact CG-CE 3.5Å; E607-M636 VanDerWaalsContact CG-CE 3.5Å; E607-M636 WeakPolarHBondContact OE1-CE 3.39Å; K632-M636 WeakPolarHBondContact O-CB 3.46Å; K632-M636 WeakPolarHBondContact O-CG 3.35Å; K632-M636 PolarHBondContact O-N 2.98Å; K632-M636 VanDerWaalsContact O-N 3.11Å; E634-M636 VanDerWaalsContact C-N 3.32Å; E634-M636 PolarHBondContact O-N 3.26Å; M636-M638 VanDerWaalsContact C-N 3.31Å; M636-M638 PolarHBondContact O-N 3.15Å; M636-L639 PolarHBondContact O-N 3.21Å; M636-A640 WeakPolarHBondContact O-CB 3.36Å; M636-A640 PolarHBondContact O-N 2.88Å |
| 637 | A | 78.1 | Confident | 72.2 | Confident | 12 Ų | 12 | 76.7 Ų | 76.7 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E603 E633 E634 E641 | E603-A637 WeakPolarHBondContact OE1-CB 3.28Å; E633-A637 WeakPolarHBondContact O-CB 3.43Å; E633-A637 PolarHBondContact O-N 3.27Å; E634-A637 PolarHBondContact O-N 2.93Å; A637-E641 WeakPolarHBondContact O-CB 3.48Å; A637-E641 PolarHBondContact O-N 3.4Å |
| 638 | M | 81.9 | Confident | 74.8 | Confident | 134 Ų | 134 | 74.2 Ų | 74.2 | 66% | 0.66 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 176 | -70 | -121.3 | -70.3 | 0 | 0 | 112 | E634 D635 M636 A640 E641 E642 | E634-M638 WeakPolarHBondContact O-CG 3.35Å; E634-M638 PolarHBondContact O-N 2.93Å; D635-M638 PolarHBondContact O-N 3.46Å; M636-M638 VanDerWaalsContact C-N 3.31Å; M636-M638 PolarHBondContact O-N 3.15Å; M638-A640 PolarHBondContact O-N 3.04Å; M638-E641 PolarHBondContact O-N 3.29Å; M638-E642 WeakPolarHBondContact O-CB 3.27Å; M638-E642 PolarHBondContact O-N 3.28Å |
| 639 | L | 84 | Confident | 77.1 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 34% | 0.335 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.8 | -77.2 | 163.5 | 0 | 0 | 0 | 112.7 | Y606 D635 M636 E641 E642 K643 | Y606-L639 HydrophobicContact CE1-CB 4.24Å; D635-L639 WeakPolarHBondContact O-CB 3.24Å; D635-L639 WeakPolarHBondContact O-CD1 3.3Å; D635-L639 VanDerWaalsContact O-CG 3.29Å; D635-L639 WeakPolarHBondContact O-CG 3.41Å; D635-L639 PolarHBondContact O-N 2.59Å; M636-L639 PolarHBondContact O-N 3.21Å; L639-E641 VanDerWaalsContact C-N 3.34Å; L639-E642 PolarHBondContact O-N 3.47Å; L639-K643 WeakPolarHBondContact O-CB 3.36Å; L639-K643 WeakPolarHBondContact O-CG 3.38Å; L639-K643 PolarHBondContact O-N 3.24Å |
| 640 | A | 84.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E603 Y606 M636 M638 K643 I644 | E603-A640 HydrophobicContact CB-CB 4.46Å; E603-A640 HydrophobicContact CG-CB 3.96Å; Y606-A640 HydrophobicContact CD1-CB 4.2Å; Y606-A640 HydrophobicContact CG-CB 4.14Å; M636-A640 WeakPolarHBondContact O-CB 3.36Å; M636-A640 PolarHBondContact O-N 2.88Å; M638-A640 PolarHBondContact O-N 3.04Å; A640-K643 PolarHBondContact O-N 2.92Å; A640-I644 VanDerWaalsContact O-CB 3.27Å; A640-I644 WeakPolarHBondContact O-CB 3.41Å; A640-I644 WeakPolarHBondContact O-CG1 3.35Å; A640-I644 PolarHBondContact O-N 2.81Å |
| 641 | E | 86.2 | Confident | 80.9 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 176.6 | -169.3 | 169 | 156.5 | 0 | 0 | 112.8 | R599 M602 A637 M638 L639 P655 K680 | R599-E641 IonicContact CZ-OE2 3.76Å; R599-E641 IonicContact NE-OE2 3.03Å; R599-E641 PolarHBondContact NE-OE2 3.44Å; R599-E641 IonicContact NH2-OE1 3.74Å; R599-E641 IonicContact NH2-OE2 2.77Å; R599-E641 PolarHBondContact NH2-OE2 3.18Å; M602-E641 HydrophobicContact CE-CB 4.38Å; M602-E641 HydrophobicContact CE-CG 4.25Å; A637-E641 WeakPolarHBondContact O-CB 3.48Å; A637-E641 PolarHBondContact O-N 3.4Å; M638-E641 PolarHBondContact O-N 3.29Å; L639-E641 VanDerWaalsContact C-N 3.34Å; E641-P655 HydrophobicContact CG-CG 3.98Å; E641-K680 PolarHBondContact O-NZ 3.08Å |
| 642 | E | 86.1 | Confident | 82.9 | Confident | 135 Ų | 135 | 67.2 Ų | 67.2 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -71.3 | -32 | 176 | -168.1 | -177.1 | -176 | 0 | 0 | 112.7 | M638 L639 K680 | M638-E642 WeakPolarHBondContact O-CB 3.27Å; M638-E642 PolarHBondContact O-N 3.28Å; L639-E642 PolarHBondContact O-N 3.47Å; E642-K680 VanDerWaalsContact O-CD 3.28Å; E642-K680 WeakPolarHBondContact O-CD 3.46Å |
| 643 | K | 86.7 | Confident | 84.6 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 35% | 0.352 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -101.4 | -24.1 | -172.6 | -70.4 | -177.1 | 174.5 | -173.5 | 0 | 115 | Y606 L639 A640 Q679 K680 | Y606-K643 HydrophobicContact CD2-CB 4.35Å; Y606-K643 HydrophobicContact CD2-CD 4.33Å; Y606-K643 HydrophobicContact CE2-CB 4.24Å; Y606-K643 HydrophobicContact CE2-CD 3.44Å; Y606-K643 VanDerWaalsContact CE2-CD 3.44Å; Y606-K643 HydrophobicContact CE2-CG 4.44Å; Y606-K643 PolarHBondContact OH-NZ 3.37Å; L639-K643 WeakPolarHBondContact O-CB 3.36Å; L639-K643 WeakPolarHBondContact O-CG 3.38Å; L639-K643 PolarHBondContact O-N 3.24Å; A640-K643 PolarHBondContact O-N 2.92Å; K643-Q679 CarbonylContact O-C 3.57Å; K643-Q679 WeakPolarHBondContact O-CA 3.38Å; K643-Q679 WeakPolarHBondContact O-CG 3.39Å; K643-K680 PolarHBondContact O-N 3.11Å |
| 644 | I | 89.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.6 | -173.3 | -51.2 | -58.3 | 0 | 0 | 0 | 110.8 | M602 V605 Y606 I610 A640 K680 | M602-I644 HydrophobicContact CB-CB 4.31Å; M602-I644 HydrophobicContact CB-CG2 4.28Å; M602-I644 HydrophobicContact CE-CB 4.38Å; M602-I644 WeakPolarHBondContact CE-O 3.23Å; M602-I644 HydrophobicContact CG-CG2 4.37Å; V605-I644 HydrophobicContact CB-CG2 4.28Å; V605-I644 HydrophobicContact CG1-CD1 4.11Å; V605-I644 HydrophobicContact CG1-CG1 4.5Å; V605-I644 HydrophobicContact CG1-CG2 4.05Å; Y606-I644 HydrophobicContact CD2-CD1 4.31Å; Y606-I644 HydrophobicContact CD2-CG1 4.38Å; I610-I644 HydrophobicContact CD1-CD1 3.37Å; I610-I644 HydrophobicContact CG1-CD1 4.26Å; A640-I644 VanDerWaalsContact O-CB 3.27Å; A640-I644 WeakPolarHBondContact O-CB 3.41Å; A640-I644 WeakPolarHBondContact O-CG1 3.35Å; A640-I644 PolarHBondContact O-N 2.81Å; I644-K680 WeakPolarHBondContact O-CE 3.49Å |
| 645 | E | 91.3 | Very high | 87.7 | Confident | 39 Ų | 39 | 55 Ų | 55 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.4 | 160.6 | -85.8 | 174.2 | 171.6 | 0 | 0 | 109.9 | V652 Y677 R678 K680 | E645-V652 HydrophobicContact CG-CG1 4.47Å; E645-Y677 VanDerWaalsContact O-CA 3.32Å; E645-Y677 WeakPolarHBondContact O-CA 3.43Å; E645-R678 HydrophobicContact CB-CG 3.96Å; E645-R678 PolarHBondContact N-O 3.11Å; E645-R678 PolarHBondContact O-N 2.92Å; E645-R678 IonicContact OE2-CZ 3.15Å; E645-R678 IonicContact OE2-NE 3.6Å; E645-R678 PolarHBondContact OE2-NE 2.61Å; E645-R678 IonicContact OE2-NH2 2.71Å; E645-R678 PolarHBondContact OE2-NH2 2.65Å; E645-K680 HydrophobicContact CB-CG 4.4Å; E645-K680 HydrophobicContact CG-CD 4.02Å; E645-K680 HydrophobicContact CG-CG 3.53Å |
| 646 | L | 93.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.2 | 169.9 | -152.3 | 70.4 | 0 | 0 | 0 | 109.7 | L574 V598 V601 M602 L653 L675 H676 | L574-L646 HydrophobicContact CD1-CD1 3.95Å; V598-L646 HydrophobicContact CG1-CB 4.1Å; V598-L646 HydrophobicContact CG1-CD2 3.81Å; V601-L646 HydrophobicContact CB-CD2 3.81Å; V601-L646 HydrophobicContact CG1-CD1 4.24Å; V601-L646 HydrophobicContact CG1-CD2 3.73Å; M602-L646 HydrophobicContact CG-CB 4Å; L646-L653 HydrophobicContact CB-CD1 4.42Å; L646-L653 HydrophobicContact CD2-CD1 4.2Å; L646-L653 HydrophobicContact CG-CD1 4.25Å; L646-L653 WeakPolarHBondContact O-CB 3.28Å; L646-L653 PolarHBondContact O-N 3.46Å; L646-L675 HydrophobicContact CD1-CB 4.42Å; L646-L675 HydrophobicContact CD2-CB 4.48Å; L646-L675 HydrophobicContact CD2-CD1 3.91Å; L646-L675 HydrophobicContact CG-CB 4.39Å; L646-H676 CarbonylContact C-O 3.6Å; L646-H676 WeakPolarHBondContact CA-O 3.26Å |
| 647 | M | 93 | Very high | 89.6 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.6 | -172.5 | -59 | 176.2 | 69.9 | 0 | 0 | 111.1 | D650 Q651 V652 L675 H676 | M647-D650 WeakPolarHBondContact CE-O 3.44Å; M647-Q651 CarbonylContact C-O 3.56Å; M647-Q651 WeakPolarHBondContact CA-O 3.22Å; M647-V652 HydrophobicContact CG-CG2 4.28Å; M647-L675 CarbonylContact O-C 3.59Å; M647-L675 WeakPolarHBondContact O-CA 3.3Å; M647-H676 HydrophobicContact CB-CB 4.35Å; M647-H676 PolarHBondContact N-O 2.78Å; M647-H676 PolarHBondContact O-N 2.91Å |
| 648 | C | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 126.5 | 169.3 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | D650 Q651 L653 V662 I666 L675 | C648-D650 VanDerWaalsContact C-N 3.31Å; C648-D650 PolarHBondContact O-N 2.98Å; C648-Q651 PolarHBondContact N-O 2.8Å; C648-Q651 WeakPolarHBondContact O-CB 3.34Å; C648-Q651 PolarHBondContact O-N 3.23Å; C648-L653 HydrophobicContact CB-CD1 4.14Å; C648-L653 HydrophobicContact CB-CD2 3.86Å; C648-L653 HydrophobicContact CB-CG 4.33Å; C648-V662 HydrophobicContact CB-CG1 3.89Å; C648-I666 HydrophobicContact CB-CG2 3.82Å; C648-I666 WeakPolarHBondContact O-CG2 3.48Å; C648-L675 HydrophobicContact CB-CD2 4.07Å |
| 649 | Q | 90.8 | Very high | 91.1 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 49.7 | -175.2 | -57.6 | -162.3 | -33.7 | 0 | 0 | 113.5 | Q651 I666 W667 K668 S669 | Q649-Q651 PolarHBondContact O-N 2.88Å; Q649-I666 PolarHBondContact OE1-O 3.27Å; Q649-W667 HydrophobicContact CG-CE3 3.93Å; Q649-W667 HydrophobicContact CG-CZ3 4.26Å; Q649-K668 VanDerWaalsContact CD-N 3.32Å; Q649-S669 PolarHBondContact NE2-OG 3.15Å |
| 650 | D | 88.8 | Confident | 91.6 | Very high | 124 Ų | 124 | 45 Ų | 45 | 66% | 0.663 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 8.5 | -179.2 | -52.5 | -40.4 | 0 | 0 | 0 | 115.5 | H577 M647 C648 | H577-D650 IonicContact NE2-OD1 2.92Å; M647-D650 WeakPolarHBondContact CE-O 3.44Å; C648-D650 VanDerWaalsContact C-N 3.31Å; C648-D650 PolarHBondContact O-N 2.98Å |
| 651 | Q | 93.1 | Very high | 92.1 | Very high | 98 Ų | 98 | 45.1 Ų | 45.1 | 46% | 0.458 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.6 | 172.9 | -174 | 178.7 | -4 | 0 | 0 | 110.7 | M647 C648 Q649 I666 | M647-Q651 CarbonylContact C-O 3.56Å; M647-Q651 WeakPolarHBondContact CA-O 3.22Å; C648-Q651 PolarHBondContact N-O 2.8Å; C648-Q651 WeakPolarHBondContact O-CB 3.34Å; C648-Q651 PolarHBondContact O-N 3.23Å; Q649-Q651 PolarHBondContact O-N 2.88Å; Q651-I666 HydrophobicContact CB-CG2 4.3Å |
| 652 | V | 93.9 | Very high | 92.6 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 132.6 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | E645 M647 | E645-V652 HydrophobicContact CG-CG1 4.47Å; M647-V652 HydrophobicContact CG-CG2 4.28Å |
| 653 | L | 94.9 | Very high | 93 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -90.8 | 140.4 | -176.8 | -59.4 | -179 | 0 | 0 | 0 | 111.5 | V598 L646 C648 V662 I666 L675 | V598-L653 HydrophobicContact CG1-CB 3.87Å; V598-L653 HydrophobicContact CG1-CD1 4.43Å; V598-L653 HydrophobicContact CG2-CB 4.19Å; V598-L653 HydrophobicContact CG2-CD1 4.08Å; L646-L653 HydrophobicContact CB-CD1 4.42Å; L646-L653 HydrophobicContact CD2-CD1 4.2Å; L646-L653 HydrophobicContact CG-CD1 4.25Å; L646-L653 WeakPolarHBondContact O-CB 3.28Å; L646-L653 PolarHBondContact O-N 3.46Å; C648-L653 HydrophobicContact CB-CD1 4.14Å; C648-L653 HydrophobicContact CB-CD2 3.86Å; C648-L653 HydrophobicContact CB-CG 4.33Å; L653-V662 HydrophobicContact CD1-CG1 3.94Å; L653-V662 HydrophobicContact CD1-CG2 4.17Å; L653-V662 HydrophobicContact CD2-CG1 3.83Å; L653-V662 HydrophobicContact CD2-CG2 4.08Å; L653-I666 HydrophobicContact CD2-CD1 3.41Å; L653-I666 VanDerWaalsContact CD2-CD1 3.41Å; L653-L675 HydrophobicContact CD1-CD2 3.81Å |
| 654 | D | 93.7 | Very high | 93.3 | Very high | 78 Ų | 78 | 39.9 Ų | 39.9 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -68.7 | 125.5 | 167.7 | -179.5 | -17.5 | 0 | 0 | 0 | 109.2 | V598 N656 M657 | V598-D654 WeakPolarHBondContact CB-O 3.44Å; D654-N656 PolarHBondContact O-N 2.87Å; D654-N656 VanDerWaalsContact O-N 3.1Å; D654-N656 WeakPolarHBondContact OD1-CB 3.28Å; D654-N656 PolarHBondContact OD1-N 3.05Å; D654-N656 PolarHBondContact OD1-ND2 3.13Å; D654-N656 VanDerWaalsContact OD1-ND2 3.1Å; D654-M657 HydrophobicContact CB-CG 4.05Å; D654-M657 HydrophobicContact CB-SD 4.4Å; D654-M657 WeakPolarHBondContact O-CB 3.43Å; D654-M657 PolarHBondContact O-N 2.98Å |
| 655 | P | 93 | Very high | 93.6 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 12% | 0.117 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27 | 178.6 | -26.8 | 36 | 0 | 0 | 0 | 114.4 | V598 R599 M602 E641 | V598-P655 PolarHBondContact N-O 3.1Å; R599-P655 HydrophobicContact CB-CB 3.99Å; R599-P655 PolarHBondContact N-O 3.42Å; M602-P655 HydrophobicContact CE-CG 4.43Å; M602-P655 HydrophobicContact SD-CB 4.12Å; M602-P655 HydrophobicContact SD-CG 4.05Å; E641-P655 HydrophobicContact CG-CG 3.98Å |
| 656 | N | 91.6 | Very high | 93.8 | Very high | 93 Ų | 93 | 40.6 Ų | 40.6 | 50% | 0.497 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.6 | -179.3 | -57.8 | -64.3 | 0 | 0 | 0 | 113.5 | D654 | D654-N656 PolarHBondContact O-N 2.87Å; D654-N656 VanDerWaalsContact O-N 3.1Å; D654-N656 WeakPolarHBondContact OD1-CB 3.28Å; D654-N656 PolarHBondContact OD1-N 3.05Å; D654-N656 PolarHBondContact OD1-ND2 3.13Å; D654-N656 VanDerWaalsContact OD1-ND2 3.1Å |
| 657 | M | 93.1 | Very high | 93.8 | Very high | 29 Ų | 29 | 42.1 Ų | 42.1 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -67.5 | 145.6 | 175.1 | -82.8 | -174.8 | 156.5 | 0 | 0 | 111.2 | M417 Q597 V598 D654 T661 V662 I666 | M417-M657 HydrophobicContact CB-CE 4.39Å; M417-M657 HydrophobicContact CE-CE 3.76Å; M417-M657 HydrophobicContact CG-CE 3.71Å; M417-M657 HydrophobicContact SD-CE 3.55Å; M417-M657 VanDerWaalsContact SD-CE 3.55Å; Q597-M657 CarbonylContact C-O 3.6Å; Q597-M657 WeakPolarHBondContact CA-O 3.29Å; V598-M657 HydrophobicContact CG2-CB 4.28Å; V598-M657 WeakPolarHBondContact CG2-O 3.32Å; V598-M657 PolarHBondContact N-O 3.33Å; D654-M657 HydrophobicContact CB-CG 4.05Å; D654-M657 HydrophobicContact CB-SD 4.4Å; D654-M657 WeakPolarHBondContact O-CB 3.43Å; D654-M657 PolarHBondContact O-N 2.98Å; M657-T661 HydrophobicContact CE-CG2 3.92Å; M657-T661 HydrophobicContact CG-CG2 4.4Å; M657-T661 HydrophobicContact SD-CG2 4.36Å; M657-V662 HydrophobicContact CB-CG2 4.1Å; M657-V662 HydrophobicContact SD-CG2 4.38Å; M657-I666 HydrophobicContact SD-CD1 4.19Å |
| 658 | D | 94.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 10% | 0.096 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -89.7 | 157.4 | 170.7 | 66.3 | 21.6 | 0 | 0 | 0 | 112.3 | L596 R660 T661 V662 | L596-D658 CarbonylContact O-C 3.56Å; L596-D658 VanDerWaalsContact O-CA 3.32Å; L596-D658 WeakPolarHBondContact O-CA 3.33Å; D658-R660 VanDerWaalsContact CG-CG 3.48Å; D658-R660 PolarHBondContact O-N 3.42Å; D658-R660 WeakPolarHBondContact OD1-CG 3.46Å; D658-R660 IonicContact OD1-NE 2.79Å; D658-R660 IonicContact OD2-CZ 2.74Å; D658-R660 IonicContact OD2-NE 2.75Å; D658-R660 PolarHBondContact OD2-NE 3.43Å; D658-R660 IonicContact OD2-NH2 3.48Å; D658-R660 PolarHBondContact OD2-NH2 2.97Å; D658-T661 PolarHBondContact O-N 3.19Å; D658-T661 VanDerWaalsContact O-N 3.1Å; D658-T661 WeakPolarHBondContact OD1-CA 3.34Å; D658-T661 WeakPolarHBondContact OD1-CB 3.37Å; D658-T661 PolarHBondContact OD1-N 3.24Å; D658-T661 PolarHBondContact OD1-OG1 3.2Å; D658-V662 WeakPolarHBondContact O-CG2 3.49Å; D658-V662 PolarHBondContact O-N 3.41Å |
| 659 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.7 | -35.2 | -176.8 | -71.4 | -174.6 | 0 | 0 | 0 | 113.2 | I570 F572 A592 L596 V601 K663 L673 L675 | I570-L659 HydrophobicContact CD1-CB 4.37Å; F572-L659 HydrophobicContact CD1-CD1 3.96Å; F572-L659 HydrophobicContact CE1-CD1 3.79Å; F572-L659 HydrophobicContact CZ-CD1 4.4Å; A592-L659 HydrophobicContact CB-CD1 4.15Å; L596-L659 HydrophobicContact CB-CD1 4.06Å; L596-L659 HydrophobicContact CB-CG 4.26Å; L596-L659 HydrophobicContact CD2-CD1 4.27Å; L596-L659 WeakPolarHBondContact O-CG 3.41Å; L596-L659 PolarHBondContact O-N 3.33Å; V601-L659 HydrophobicContact CG2-CD2 4.19Å; L659-K663 VanDerWaalsContact O-CB 3.29Å; L659-K663 WeakPolarHBondContact O-CB 3.24Å; L659-K663 PolarHBondContact O-N 2.84Å; L659-L673 HydrophobicContact CB-CD2 4.4Å; L659-L673 HydrophobicContact CD2-CD2 4.09Å; L659-L675 HydrophobicContact CD2-CD1 3.77Å |
| 660 | R | 95.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 177.5 | 65.4 | -176.3 | 176.2 | -176.5 | 5.8 | 112.7 | Y419 W446 I570 D594 D658 K663 H664 | Y419-R660 HydrophobicContact CD1-CB 3.96Å; Y419-R660 HydrophobicContact CD1-CG 4.09Å; Y419-R660 WeakPolarHBondContact O-CD 3.26Å; Y419-R660 PolarHBondContact O-NE 3.4Å; W446-R660 VanDerWaalsContact O-CZ 3.3Å; W446-R660 PolarHBondContact O-NH1 3.08Å; W446-R660 PolarHBondContact O-NH2 3.26Å; I570-R660 HydrophobicContact CD1-CB 3.72Å; D594-R660 HydrophobicContact CB-CB 4.25Å; D594-R660 WeakPolarHBondContact O-CG 3.47Å; D594-R660 PolarHBondContact O-N 3.34Å; D594-R660 VanDerWaalsContact O-N 3.14Å; D594-R660 WeakPolarHBondContact OD2-CD 3.44Å; D594-R660 IonicContact OD2-NH1 3.55Å; D594-R660 PolarHBondContact OD2-NH1 2.88Å; D658-R660 VanDerWaalsContact CG-CG 3.48Å; D658-R660 PolarHBondContact O-N 3.42Å; D658-R660 WeakPolarHBondContact OD1-CG 3.46Å; D658-R660 IonicContact OD1-NE 2.79Å; D658-R660 IonicContact OD2-CZ 2.74Å; D658-R660 IonicContact OD2-NE 2.75Å; D658-R660 PolarHBondContact OD2-NE 3.43Å; D658-R660 IonicContact OD2-NH2 3.48Å; D658-R660 PolarHBondContact OD2-NH2 2.97Å; R660-K663 PolarHBondContact O-N 2.86Å; R660-H664 VanDerWaalsContact O-CB 3.32Å; R660-H664 WeakPolarHBondContact O-CB 3.36Å; R660-H664 PolarHBondContact O-N 3.04Å |
| 661 | T | 95.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 174.9 | -62 | 0 | 0 | 0 | 0 | 110.2 | M417 Y419 M657 D658 K663 H664 F665 | M417-T661 WeakPolarHBondContact O-CG2 3.4Å; Y419-T661 PolarHBondContact N-OG1 3.41Å; M657-T661 HydrophobicContact CE-CG2 3.92Å; M657-T661 HydrophobicContact CG-CG2 4.4Å; M657-T661 HydrophobicContact SD-CG2 4.36Å; D658-T661 PolarHBondContact O-N 3.19Å; D658-T661 VanDerWaalsContact O-N 3.1Å; D658-T661 WeakPolarHBondContact OD1-CA 3.34Å; D658-T661 WeakPolarHBondContact OD1-CB 3.37Å; D658-T661 PolarHBondContact OD1-N 3.24Å; D658-T661 PolarHBondContact OD1-OG1 3.2Å; T661-K663 VanDerWaalsContact C-N 3.34Å; T661-K663 PolarHBondContact O-N 3.48Å; T661-H664 PolarHBondContact O-N 3.19Å; T661-F665 HydrophobicContact CG2-CD2 3.79Å; T661-F665 HydrophobicContact CG2-CE2 4.29Å; T661-F665 PolarHBondContact O-N 3.46Å |
| 662 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -58.7 | -47.3 | 173.4 | 178 | 0 | 0 | 0 | 0 | 110.6 | V598 C648 L653 M657 D658 H664 I666 W667 L673 L675 | V598-V662 HydrophobicContact CG2-CG2 3.85Å; C648-V662 HydrophobicContact CB-CG1 3.89Å; L653-V662 HydrophobicContact CD1-CG1 3.94Å; L653-V662 HydrophobicContact CD1-CG2 4.17Å; L653-V662 HydrophobicContact CD2-CG1 3.83Å; L653-V662 HydrophobicContact CD2-CG2 4.08Å; M657-V662 HydrophobicContact CB-CG2 4.1Å; M657-V662 HydrophobicContact SD-CG2 4.38Å; D658-V662 WeakPolarHBondContact O-CG2 3.49Å; D658-V662 PolarHBondContact O-N 3.41Å; V662-H664 VanDerWaalsContact C-N 3.3Å; V662-H664 PolarHBondContact O-N 3.36Å; V662-I666 HydrophobicContact CG1-CB 4.37Å; V662-I666 HydrophobicContact CG1-CD1 4.45Å; V662-I666 WeakPolarHBondContact O-CA 3.33Å; V662-I666 WeakPolarHBondContact O-CB 3.45Å; V662-I666 PolarHBondContact O-N 3.27Å; V662-W667 PolarHBondContact O-N 2.94Å; V662-L673 HydrophobicContact CG1-CD1 4.05Å; V662-L675 HydrophobicContact CG1-CD2 4.14Å |
| 663 | K | 95.1 | Very high | 93.3 | Very high | 74 Ų | 74 | 42 Ų | 42 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -62.5 | -35.3 | 178.9 | -172.9 | 175.4 | -179.7 | 178.1 | 0 | 112.8 | I570 L659 R660 T661 L673 | I570-K663 HydrophobicContact CD1-CD 4.27Å; I570-K663 HydrophobicContact CG2-CD 4.11Å; L659-K663 VanDerWaalsContact O-CB 3.29Å; L659-K663 WeakPolarHBondContact O-CB 3.24Å; L659-K663 PolarHBondContact O-N 2.84Å; R660-K663 PolarHBondContact O-N 2.86Å; T661-K663 VanDerWaalsContact C-N 3.34Å; T661-K663 PolarHBondContact O-N 3.48Å; K663-L673 HydrophobicContact CB-CD1 4.41Å; K663-L673 HydrophobicContact CB-CD2 4.42Å; K663-L673 HydrophobicContact CD-CB 4.46Å; K663-L673 HydrophobicContact CG-CB 4.45Å |
| 664 | H | 93.9 | Very high | 93.3 | Very high | 89 Ų | 89 | 42.3 Ų | 42.3 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -79.4 | -50.4 | -177.8 | -172.9 | 78.3 | 0 | 0 | 0 | 112.5 | Y419 R660 T661 V662 K668 | Y419-H664 HydrophobicContact CD1-CB 4.02Å; Y419-H664 HydrophobicContact CD2-CB 3.77Å; Y419-H664 AromaticContact CD2-CD2 3.46Å; Y419-H664 VanDerWaalsContact CD2-CD2 3.46Å; Y419-H664 WeakPolarHBondContact CD2-CD2 3.5Å; Y419-H664 AromaticContact CD2-CE1 3.61Å; Y419-H664 AromaticContact CD2-CG 3.24Å; Y419-H664 AromaticContact CD2-ND1 3.35Å; Y419-H664 VanDerWaalsContact CD2-ND1 3.35Å; Y419-H664 WeakPolarHBondContact CD2-ND1 3.37Å; Y419-H664 AromaticContact CD2-NE2 3.69Å; Y419-H664 HydrophobicContact CE2-CB 4.31Å; Y419-H664 AromaticContact CE2-CE1 3.41Å; Y419-H664 VanDerWaalsContact CE2-CE1 3.41Å; Y419-H664 WeakPolarHBondContact CE2-CE1 3.47Å; Y419-H664 AromaticContact CE2-CG 3.64Å; Y419-H664 AromaticContact CE2-ND1 3.19Å; Y419-H664 WeakPolarHBondContact CE2-ND1 3.49Å; Y419-H664 AromaticContact CE2-NE2 3.96Å; Y419-H664 HydrophobicContact CG-CB 3.59Å; Y419-H664 AromaticContact CG-CG 3.64Å; Y419-H664 AromaticContact CZ-ND1 3.81Å; R660-H664 VanDerWaalsContact O-CB 3.32Å; R660-H664 WeakPolarHBondContact O-CB 3.36Å; R660-H664 PolarHBondContact O-N 3.04Å; T661-H664 PolarHBondContact O-N 3.19Å; V662-H664 VanDerWaalsContact C-N 3.3Å; V662-H664 PolarHBondContact O-N 3.36Å; H664-K668 PolarHBondContact O-NZ 3.44Å; H664-K668 VanDerWaalsContact O-NZ 3.16Å |
| 665 | F | 94.3 | Very high | 93.4 | Very high | 48 Ų | 48 | 38.6 Ų | 38.6 | 21% | 0.211 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -88.1 | -39.7 | -172 | -74.6 | -78 | 0 | 0 | 0 | 113.4 | F415 M417 V418 T661 K668 | F415-F665 HydrophobicContact CE2-CE1 4.36Å; F415-F665 HydrophobicContact CZ-CE1 4.02Å; F415-F665 HydrophobicContact CZ-CZ 4.39Å; M417-F665 HydrophobicContact CE-CB 3.55Å; M417-F665 HydrophobicContact CE-CD1 4.43Å; M417-F665 HydrophobicContact CE-CG 4Å; M417-F665 HydrophobicContact CG-CD1 4.45Å; M417-F665 HydrophobicContact CG-CD2 4.19Å; M417-F665 HydrophobicContact CG-CE2 4.43Å; M417-F665 HydrophobicContact CG-CG 4.19Å; V418-F665 WeakPolarHBondContact O-CE2 3.34Å; T661-F665 HydrophobicContact CG2-CD2 3.79Å; T661-F665 HydrophobicContact CG2-CE2 4.29Å; T661-F665 PolarHBondContact O-N 3.46Å; F665-K668 WeakPolarHBondContact O-CE 3.45Å; F665-K668 PolarHBondContact O-NZ 2.86Å |
| 666 | I | 95.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -100.9 | -43.6 | -168.7 | -55.4 | 174 | 0 | 0 | 0 | 111.1 | M417 C648 Q649 Q651 L653 M657 V662 K668 | M417-I666 HydrophobicContact CE-CG1 4.32Å; C648-I666 HydrophobicContact CB-CG2 3.82Å; C648-I666 WeakPolarHBondContact O-CG2 3.48Å; Q649-I666 PolarHBondContact OE1-O 3.27Å; Q651-I666 HydrophobicContact CB-CG2 4.3Å; L653-I666 HydrophobicContact CD2-CD1 3.41Å; L653-I666 VanDerWaalsContact CD2-CD1 3.41Å; M657-I666 HydrophobicContact SD-CD1 4.19Å; V662-I666 HydrophobicContact CG1-CB 4.37Å; V662-I666 HydrophobicContact CG1-CD1 4.45Å; V662-I666 WeakPolarHBondContact O-CA 3.33Å; V662-I666 WeakPolarHBondContact O-CB 3.45Å; V662-I666 PolarHBondContact O-N 3.27Å; I666-K668 PolarHBondContact O-N 3.47Å |
| 667 | W | 95.4 | Very high | 93.3 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | trans | -72.4 | 120.1 | -179.3 | -178.2 | -116.5 | 0 | 0 | 0 | 113 | Q649 V662 G670 G671 D672 L673 T674 | Q649-W667 HydrophobicContact CG-CE3 3.93Å; Q649-W667 HydrophobicContact CG-CZ3 4.26Å; V662-W667 PolarHBondContact O-N 2.94Å; W667-G670 VanDerWaalsContact CZ2-O 3.3Å; W667-G670 WeakPolarHBondContact CZ2-O 3.44Å; W667-G671 PolarHBondContact NE1-O 2.87Å; W667-D672 WeakPolarHBondContact CZ2-O 3.29Å; W667-L673 HydrophobicContact CB-CD1 3.85Å; W667-L673 HydrophobicContact CD2-CD1 4.38Å; W667-L673 HydrophobicContact CG-CD1 4.07Å; W667-T674 WeakPolarHBondContact CH2-OG1 3.37Å | ||
| 668 | K | 92.6 | Very high | 93.1 | Very high | 135 Ų | 135 | 38 Ų | 38 | 59% | 0.587 | 21% | 0.211 | S | C | * | . | trans | -123.2 | -6.8 | 179.6 | -53 | -61.1 | 172.7 | -162.1 | 0 | 115.2 | Q649 H664 F665 I666 G670 | Q649-K668 VanDerWaalsContact CD-N 3.32Å; H664-K668 PolarHBondContact O-NZ 3.44Å; H664-K668 VanDerWaalsContact O-NZ 3.16Å; F665-K668 WeakPolarHBondContact O-CE 3.45Å; F665-K668 PolarHBondContact O-NZ 2.86Å; I666-K668 PolarHBondContact O-N 3.47Å; K668-G670 VanDerWaalsContact C-N 3.27Å; K668-G670 PolarHBondContact O-N 3.07Å | ||
| 669 | S | 88.9 | Confident | 92.7 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -80.3 | -2 | -171.3 | -51.9 | 0 | 0 | 0 | 0 | 114.8 | Q649 | Q649-S669 PolarHBondContact NE2-OG 3.15Š|
| 670 | G | 83.3 | Confident | 92 | Very high | 51 Ų | 51 | 46 Ų | 46 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 73.5 | 157 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W667 K668 | W667-G670 VanDerWaalsContact CZ2-O 3.3Å; W667-G670 WeakPolarHBondContact CZ2-O 3.44Å; K668-G670 VanDerWaalsContact C-N 3.27Å; K668-G670 PolarHBondContact O-N 3.07Å |
| 671 | G | 90.4 | Very high | 90.6 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 63% | 0.629 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 78.9 | -161.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | W667 | W667-G671 PolarHBondContact NE1-O 2.87Š|
| 672 | D | 92.8 | Very high | 88.3 | Confident | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -62.8 | 142.4 | 179.6 | -71.2 | -6.2 | 0 | 0 | 0 | 110.9 | Y573 R589 W667 T674 | Y573-D672 HydrophobicContact CD2-CB 4.04Å; Y573-D672 HydrophobicContact CE2-CB 3.88Å; R589-D672 IonicContact CZ-OD2 2.96Å; R589-D672 VanDerWaalsContact CZ-OD2 3.29Å; R589-D672 IonicContact NE-OD2 3.28Å; R589-D672 PolarHBondContact NE-OD2 3.45Å; R589-D672 VanDerWaalsContact NE-OD2 3.09Å; R589-D672 IonicContact NH2-OD2 3.46Å; R589-D672 PolarHBondContact NH2-OD2 3.23Å; W667-D672 WeakPolarHBondContact CZ2-O 3.29Å; D672-T674 PolarHBondContact O-N 3.3Å; D672-T674 PolarHBondContact O-OG1 3.39Å |
| 673 | L | 95.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 134.5 | 177.8 | 170.7 | 65.8 | 0 | 0 | 0 | 109.2 | I570 F572 Y573 L659 V662 K663 W667 L675 | I570-L673 HydrophobicContact CG2-CB 4.5Å; F572-L673 CarbonylContact C-O 3.47Å; F572-L673 WeakPolarHBondContact CA-O 3.43Å; F572-L673 HydrophobicContact CB-CB 3.83Å; F572-L673 HydrophobicContact CB-CD2 4.15Å; F572-L673 HydrophobicContact CB-CG 4.08Å; F572-L673 VanDerWaalsContact CB-O 3.25Å; F572-L673 WeakPolarHBondContact CB-O 3.26Å; Y573-L673 PolarHBondContact N-O 3.12Å; L659-L673 HydrophobicContact CB-CD2 4.4Å; L659-L673 HydrophobicContact CD2-CD2 4.09Å; V662-L673 HydrophobicContact CG1-CD1 4.05Å; K663-L673 HydrophobicContact CB-CD1 4.41Å; K663-L673 HydrophobicContact CB-CD2 4.42Å; K663-L673 HydrophobicContact CD-CB 4.46Å; K663-L673 HydrophobicContact CG-CB 4.45Å; W667-L673 HydrophobicContact CB-CD1 3.85Å; W667-L673 HydrophobicContact CD2-CD1 4.38Å; W667-L673 HydrophobicContact CG-CD1 4.07Å; L673-L675 HydrophobicContact CD1-CD2 3.94Å; L673-L675 HydrophobicContact CD2-CD1 4.32Å; L673-L675 HydrophobicContact CD2-CD2 4.08Å; L673-L675 HydrophobicContact CD2-CG 4.24Å; L673-L675 HydrophobicContact CG-CD2 3.97Å; L673-L675 HydrophobicContact CG-CG 4.13Å |
| 674 | T | 94.5 | Very high | 87.6 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.4 | 176 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | W667 D672 | W667-T674 WeakPolarHBondContact CH2-OG1 3.37Å; D672-T674 PolarHBondContact O-N 3.3Å; D672-T674 PolarHBondContact O-OG1 3.39Å |
| 675 | L | 94.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137 | 180 | -57 | 178.9 | 0 | 0 | 0 | 109.4 | F572 Y573 L574 Q575 V601 L646 M647 C648 L653 L659 V662 L673 | F572-L675 HydrophobicContact CD2-CD1 3.87Å; F572-L675 HydrophobicContact CD2-CG 4.35Å; F572-L675 HydrophobicContact CE2-CD1 4.11Å; Y573-L675 PolarHBondContact O-N 3.21Å; L574-L675 WeakPolarHBondContact CA-O 3.35Å; L574-L675 HydrophobicContact CD1-CB 4.01Å; Q575-L675 PolarHBondContact N-O 3.1Å; V601-L675 HydrophobicContact CG1-CD1 4.35Å; L646-L675 HydrophobicContact CD1-CB 4.42Å; L646-L675 HydrophobicContact CD2-CB 4.48Å; L646-L675 HydrophobicContact CD2-CD1 3.91Å; L646-L675 HydrophobicContact CG-CB 4.39Å; M647-L675 CarbonylContact O-C 3.59Å; M647-L675 WeakPolarHBondContact O-CA 3.3Å; C648-L675 HydrophobicContact CB-CD2 4.07Å; L653-L675 HydrophobicContact CD1-CD2 3.81Å; L659-L675 HydrophobicContact CD2-CD1 3.77Å; V662-L675 HydrophobicContact CG1-CD2 4.14Å; L673-L675 HydrophobicContact CD1-CD2 3.94Å; L673-L675 HydrophobicContact CD2-CD1 4.32Å; L673-L675 HydrophobicContact CD2-CD2 4.08Å; L673-L675 HydrophobicContact CD2-CG 4.24Å; L673-L675 HydrophobicContact CG-CD2 3.97Å; L673-L675 HydrophobicContact CG-CG 4.13Å |
| 676 | H | 92.8 | Very high | 86.8 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 20% | 0.199 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137 | 175.9 | -59.8 | 87.9 | 0 | 0 | 0 | 109.9 | Q575 H577 L646 M647 | Q575-H676 CarbonylContact O-C 3.51Å; Q575-H676 WeakPolarHBondContact O-CA 3.4Å; H577-H676 HydrophobicContact CB-CB 4.15Å; L646-H676 CarbonylContact C-O 3.6Å; L646-H676 WeakPolarHBondContact CA-O 3.26Å; M647-H676 HydrophobicContact CB-CB 4.35Å; M647-H676 PolarHBondContact N-O 2.78Å; M647-H676 PolarHBondContact O-N 2.91Å |
| 677 | Y | 91.1 | Very high | 86.3 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 148.5 | 175 | 63.4 | -93.1 | 0 | 0 | 0 | 111.7 | L574 Q575 P576 H577 V605 I609 E645 | L574-Y677 HydrophobicContact CD1-CD1 3.77Å; L574-Y677 HydrophobicContact CD1-CE1 4.48Å; L574-Y677 HydrophobicContact CD2-CD1 4.5Å; L574-Y677 HydrophobicContact CG-CD1 3.75Å; L574-Y677 HydrophobicContact CG-CE1 3.98Å; Q575-Y677 WeakPolarHBondContact O-CD1 3.33Å; Q575-Y677 WeakPolarHBondContact O-CE1 3.32Å; Q575-Y677 PolarHBondContact O-N 3.13Å; P576-Y677 HydrophobicContact CB-CE2 4.14Å; H577-Y677 PolarHBondContact N-O 2.64Å; V605-Y677 HydrophobicContact CG1-CD1 4.42Å; V605-Y677 HydrophobicContact CG1-CD2 3.57Å; V605-Y677 HydrophobicContact CG1-CE2 4.21Å; V605-Y677 HydrophobicContact CG1-CG 3.71Å; V605-Y677 HydrophobicContact CG2-CD1 4.04Å; V605-Y677 HydrophobicContact CG2-CG 3.95Å; I609-Y677 HydrophobicContact CD1-CE1 3.93Å; I609-Y677 HydrophobicContact CG2-CE2 3.85Å; I609-Y677 WeakPolarHBondContact CG2-OH 3.48Å; E645-Y677 VanDerWaalsContact O-CA 3.32Å; E645-Y677 WeakPolarHBondContact O-CA 3.43Å |
| 678 | R | 88.4 | Confident | 85.6 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 158.4 | 167 | 67.1 | -178 | -174 | -175.2 | 1.5 | 110.6 | H577 S579 E645 | H577-R678 HydrophobicContact CB-CB 4.04Å; S579-R678 WeakPolarHBondContact OG-CD 3.34Å; S579-R678 PolarHBondContact OG-NH1 3.28Å; E645-R678 HydrophobicContact CB-CG 3.96Å; E645-R678 PolarHBondContact N-O 3.11Å; E645-R678 PolarHBondContact O-N 2.92Å; E645-R678 IonicContact OE2-CZ 3.15Å; E645-R678 IonicContact OE2-NE 3.6Å; E645-R678 PolarHBondContact OE2-NE 2.61Å; E645-R678 IonicContact OE2-NH2 2.71Å; E645-R678 PolarHBondContact OE2-NH2 2.65Å |
| 679 | Q | 85.8 | Confident | 85.1 | Confident | 112 Ų | 112 | 63.7 Ų | 63.7 | 52% | 0.523 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 136.3 | 169.6 | -165 | 171.6 | -6.3 | 0 | 0 | 109.3 | I610 K643 | I610-Q679 HydrophobicContact CD1-CB 4.35Å; K643-Q679 CarbonylContact O-C 3.57Å; K643-Q679 WeakPolarHBondContact O-CA 3.38Å; K643-Q679 WeakPolarHBondContact O-CG 3.39Å |
| 680 | K | 82.2 | Confident | 84.9 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | trans | -63.3 | 135.2 | 172.4 | -75.6 | -179.4 | 178.7 | 170.1 | 0 | 109 | E641 E642 K643 I644 E645 T682 | E641-K680 PolarHBondContact O-NZ 3.08Å; E642-K680 VanDerWaalsContact O-CD 3.28Å; E642-K680 WeakPolarHBondContact O-CD 3.46Å; K643-K680 PolarHBondContact O-N 3.11Å; I644-K680 WeakPolarHBondContact O-CE 3.49Å; E645-K680 HydrophobicContact CB-CG 4.4Å; E645-K680 HydrophobicContact CG-CD 4.02Å; E645-K680 HydrophobicContact CG-CG 3.53Å; K680-T682 PolarHBondContact O-N 3.37Å | ||
| 681 | S | 63.8 | Low | 85 | Confident | 120 Ų | 120 | 63.1 Ų | 63.1 | 84% | 0.839 | 37% | 0.368 | S | S | * | . | trans | -68.1 | 115.2 | 170 | -37.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 682 | T | 48.3 | Very low | 84.5 | Confident | 210 Ų | 210 | 63.3 Ų | 63.3 | 100% | 1.288 | 34% | 0.344 | S | S | * | . | trans | -63.1 | 0 | 168.5 | 44.5 | 0 | 0 | 0 | 0 | 111.4 | K680 | K680-T682 PolarHBondContact O-N 3.37Š|
Retrieved 682 of 682 residues in 1636.1 ms
(Link to these results)