| 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 | F | 30.6 | Very low | 28.6 | Very low | 256 Ų | 256 | 181.4 Ų | 181.4 | 100% | 1.123 | 83% | 0.828 | S | S | * | * | 0 | 112.3 | 0 | -65.6 | -90.5 | 0 | 0 | 0 | 106.6 | |||||
| 2 | Y | 29.7 | Very low | 29.1 | Very low | 229 Ų | 229 | 181 Ų | 181 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | cis | -141.9 | 149.1 | 20.2 | -124.3 | -98.9 | 0 | 0 | 0 | 108.9 | ||||
| 3 | H | 26.7 | Very low | 29 | Very low | 150 Ų | 150 | 175 Ų | 175 | 69% | 0.694 | 83% | 0.826 | S | S | * | * | trans | -68.8 | 143.9 | -179.7 | -95.8 | -13.7 | 0 | 0 | 0 | 113.7 | ||||
| 4 | S | 28.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 171.4 Ų | 171.4 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -140.5 | 98.8 | 145.6 | 174 | 0 | 0 | 0 | 0 | 108 | ||||
| 5 | R | 29.6 | Very low | 29 | Very low | 199 Ų | 199 | 167.5 Ų | 167.5 | 75% | 0.751 | 83% | 0.832 | S | S | * | * | trans | -75.9 | 123 | 169.6 | -76.7 | 177 | -179.3 | 179.9 | -2.4 | 107.4 | ||||
| 6 | N | 27.8 | Very low | 29 | Very low | 157 Ų | 157 | 161.3 Ų | 161.3 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -113.5 | 129.2 | 158.4 | -100.6 | -20.4 | 0 | 0 | 0 | 110.2 | ||||
| 7 | H | 27.8 | Very low | 28.9 | Very low | 174 Ų | 174 | 161.2 Ų | 161.2 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | trans | -66.4 | 136.1 | -164.7 | -93.5 | -85.2 | 0 | 0 | 0 | 113.5 | R9 | H7-R9 PolarHBondContact O-N 3.12Š| ||
| 8 | F | 28.7 | Very low | 28.9 | Very low | 189 Ų | 189 | 158.3 Ų | 158.3 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -45.7 | 117.7 | 148.7 | -100.5 | -102.1 | 0 | 0 | 0 | 110.8 | P10 | F8-P10 HydrophobicContact CD1-CG 4.46Š| ||
| 9 | R | 26.3 | Very low | 29.3 | Very low | 233 Ų | 233 | 159.7 Ų | 159.7 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -143.3 | 105.4 | 139.7 | -77.4 | -162.8 | -173.9 | -167.4 | 3 | 107.9 | H7 K11 | H7-R9 PolarHBondContact O-N 3.12Å; R9-K11 PolarHBondContact O-N 2.68Å | ||
| 10 | P | 30.2 | Very low | 29.4 | Very low | 101 Ų | 101 | 155.1 Ų | 155.1 | 66% | 0.656 | 82% | 0.816 | S | S | * | * | trans | -64 | 126.3 | 156.9 | -8.2 | 24.3 | 0 | 0 | 0 | 106.7 | F8 L12 | F8-P10 HydrophobicContact CD1-CG 4.46Å; P10-L12 PolarHBondContact O-N 2.98Å; P10-L12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | K | 29.4 | Very low | 30.1 | Very low | 193 Ų | 193 | 150 Ų | 150 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -53.5 | 117 | 164.1 | -83.2 | 176.1 | 172.4 | 176.4 | 0 | 107.1 | R9 C13 | R9-K11 PolarHBondContact O-N 2.68Å; K11-C13 VanDerWaalsContact C-N 3.29Å; K11-C13 PolarHBondContact O-N 3.13Å | ||
| 12 | L | 33.9 | Very low | 31.3 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 93% | 0.927 | 77% | 0.771 | S | S | * | * | trans | -56.9 | 101 | 156.3 | -92.6 | 93.2 | 0 | 0 | 0 | 106.7 | P10 | P10-L12 PolarHBondContact O-N 2.98Å; P10-L12 VanDerWaalsContact O-N 3.09Å | ||
| 13 | C | 27.6 | Very low | 33.1 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | trans | -97.8 | 142.4 | 153.5 | -72.8 | 0 | 0 | 0 | 0 | 107.2 | K11 | K11-C13 VanDerWaalsContact C-N 3.29Å; K11-C13 PolarHBondContact O-N 3.13Å | ||
| 14 | P | 26 | Very low | 35.4 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | trans | -67.6 | 151.2 | -159.8 | 26.4 | -33 | 0 | 0 | 0 | 112.6 | G16 | P14-G16 PolarHBondContact O-N 3.06Š| ||
| 15 | A | 32.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 94% | 0.942 | 68% | 0.68 | S | S | * | * | trans | -49.7 | 111.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 16 | G | 28.2 | Very low | 39 | Very low | 67 Ų | 67 | 119.4 Ų | 119.4 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | trans | -154.6 | 35.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P14 S18 | P14-G16 PolarHBondContact O-N 3.06Å; G16-S18 PolarHBondContact O-N 2.84Å | ||
| 17 | L | 28.8 | Very low | 40.8 | Very low | 160 Ų | 160 | 113.9 Ų | 113.9 | 84% | 0.838 | 67% | 0.668 | S | S | * | * | trans | -64.3 | 106.3 | 160.9 | -81 | 156.3 | 0 | 0 | 0 | 106.7 | ||||
| 18 | S | 28.6 | Very low | 43.3 | Very low | 110 Ų | 110 | 108.8 Ų | 108.8 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | trans | -92.5 | 90.6 | 148.2 | 40.2 | 0 | 0 | 0 | 0 | 106.4 | G16 G20 | G16-S18 PolarHBondContact O-N 2.84Å; S18-G20 PolarHBondContact O-N 2.71Å | ||
| 19 | E | 36.1 | Very low | 46.2 | Very low | 185 Ų | 185 | 101.9 Ų | 101.9 | 86% | 0.864 | 62% | 0.622 | S | S | * | * | trans | -61.8 | 109.9 | 152.8 | -76.9 | -179.4 | 146.5 | 0 | 0 | 107.3 | ||||
| 20 | G | 31 | Very low | 49.2 | Very low | 66 Ų | 66 | 94.3 Ų | 94.3 | 68% | 0.68 | 60% | 0.599 | S | S | * | * | trans | 146.1 | 122.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S18 | S18-G20 PolarHBondContact O-N 2.71Š| ||
| 21 | A | 44.9 | Very low | 52.1 | Low | 48 Ų | 48 | 89.9 Ų | 89.9 | 40% | 0.397 | 57% | 0.571 | S | S | . | * | cis | -157.2 | 93.5 | 19.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V23 | A21-V23 PolarHBondContact O-N 2.85Š| ||
| 22 | G | 56.2 | Low | 55.1 | Low | 58 Ų | 58 | 82.7 Ų | 82.7 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | trans | -64.5 | 96.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N42 | G22-N42 PolarHBondContact O-ND2 2.85Å; G22-N42 PolarHBondContact O-OD1 3.3Å | ||
| 23 | V | 65.9 | Low | 57.9 | Low | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 52% | 0.517 | C | S | . | . | trans | -81.5 | -26.8 | 166 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | A21 T41 N42 L43 V105 I107 M115 | A21-V23 PolarHBondContact O-N 2.85Å; V23-T41 HydrophobicContact CG1-CG2 3.45Å; V23-T41 VanDerWaalsContact CG1-CG2 3.45Å; V23-T41 CarbonylContact O-C 3.55Å; V23-T41 WeakPolarHBondContact O-CA 3.44Å; V23-N42 VanDerWaalsContact CA-OD1 3.31Å; V23-N42 WeakPolarHBondContact CA-OD1 3.33Å; V23-N42 PolarHBondContact O-N 2.89Å; V23-N42 PolarHBondContact O-OD1 2.82Å; V23-N42 VanDerWaalsContact O-OD1 3.1Å; V23-L43 HydrophobicContact CG1-CD1 4.04Å; V23-L43 HydrophobicContact CG1-CG 4.09Å; V23-V105 HydrophobicContact CB-CG1 4.22Å; V23-V105 HydrophobicContact CG1-CG1 3.94Å; V23-I107 HydrophobicContact CG1-CD1 4.04Å; V23-M115 HydrophobicContact CG2-CB 3.95Å; V23-M115 HydrophobicContact CG2-CE 4.35Å | ||
| 24 | L | 74.9 | Confident | 60.9 | Low | 11 Ų | 11 | 74.3 Ų | 74.3 | 6% | 0.058 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -113.5 | 155.6 | -174.9 | -63 | 171.5 | 0 | 0 | 0 | 110.7 | R40 T41 W55 V105 T119 | L24-R40 WeakPolarHBondContact CD2-O 3.5Å; L24-T41 HydrophobicContact CD2-CG2 4.15Å; L24-W55 HydrophobicContact CD1-CH2 3.38Å; L24-W55 HydrophobicContact CD1-CZ2 4.42Å; L24-W55 HydrophobicContact CD1-CZ3 3.74Å; L24-W55 HydrophobicContact CD2-CH2 3.56Å; L24-W55 HydrophobicContact CD2-CZ2 4.05Å; L24-W55 HydrophobicContact CG-CH2 4.07Å; L24-V105 HydrophobicContact CD1-CB 4.48Å; L24-V105 HydrophobicContact CD1-CG1 3.87Å; L24-V105 HydrophobicContact CD2-CG1 4.48Å; L24-V105 HydrophobicContact CG-CG1 4.07Å; L24-T119 HydrophobicContact CD1-CG2 3.7Å |
| 25 | P | 68.3 | Low | 64 | Low | 64 Ų | 64 | 69.4 Ų | 69.4 | 42% | 0.416 | 48% | 0.48 | S | S | . | . | trans | -65.4 | 156.5 | 176.8 | 28.3 | -35.9 | 0 | 0 | 0 | 112.3 | R40 | P25-R40 VanDerWaalsContact CD-O 3.31Å; P25-R40 WeakPolarHBondContact CD-O 3.26Å | ||
| 26 | D | 66.3 | Low | 66.8 | Low | 174 Ų | 174 | 67.3 Ų | 67.3 | 93% | 0.93 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -71.4 | 133.4 | 174.6 | -66.9 | -32.9 | 0 | 0 | 0 | 111.3 | ||
| 27 | G | 66 | Low | 69.8 | Low | 40 Ų | 40 | 64.7 Ų | 64.7 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 109.5 | 172 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T119 | G27-T119 PolarHBondContact O-OG1 3.47Š|
| 28 | P | 79.9 | Confident | 72.8 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.8 | 170.3 | 29.2 | -31.3 | 0 | 0 | 0 | 111.2 | T120 D122 | P28-T120 CarbonylContact C-O 3.54Å; P28-T120 VanDerWaalsContact CA-O 3.23Å; P28-T120 WeakPolarHBondContact CA-O 3.5Å; P28-T120 HydrophobicContact CB-CG2 4.09Å; P28-D122 VanDerWaalsContact CB-OD2 3.26Å; P28-D122 WeakPolarHBondContact CB-OD2 3.31Å |
| 29 | L | 88.4 | Confident | 75.7 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.4 | 167.7 | -60.2 | 176.6 | 0 | 0 | 0 | 108.7 | V37 L39 T120 V121 D122 | L29-V37 HydrophobicContact CB-CG2 3.83Å; L29-V37 HydrophobicContact CD1-CG2 3.89Å; L29-L39 HydrophobicContact CD1-CD2 3.74Å; L29-L39 HydrophobicContact CD1-CG 4.38Å; L29-T120 PolarHBondContact N-O 3.03Å; L29-V121 HydrophobicContact CB-CG2 4.38Å; L29-V121 WeakPolarHBondContact O-CA 3.45Å; L29-D122 PolarHBondContact O-N 2.82Å |
| 30 | N | 90.5 | Very high | 78.2 | Confident | 74 Ų | 74 | 53.7 Ų | 53.7 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133 | 179.4 | -59.1 | -35.8 | 0 | 0 | 0 | 110.7 | D122 Y124 P205 | N30-D122 WeakPolarHBondContact CA-O 3.16Å; N30-Y124 HydrophobicContact CB-CD2 4.46Å; N30-Y124 HydrophobicContact CB-CE2 4.02Å; N30-P205 HydrophobicContact CB-CB 4.02Å; N30-P205 WeakPolarHBondContact ND2-CB 3.04Å |
| 31 | A | 90.3 | Very high | 80.8 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 165.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V37 L95 D122 V123 Y124 | A31-V37 HydrophobicContact CB-CB 4.21Å; A31-L95 HydrophobicContact CB-CD1 3.33Å; A31-D122 PolarHBondContact N-O 3.28Å; A31-V123 WeakPolarHBondContact O-CA 3.46Å; A31-Y124 PolarHBondContact O-N 3.32Å |
| 32 | S | 92.6 | Very high | 82.7 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 151 | 176.4 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | G34 G35 Y124 | S32-G34 PolarHBondContact O-N 2.66Å; S32-G35 WeakPolarHBondContact O-CA 3.14Å; S32-G35 PolarHBondContact O-N 3.27Å; S32-Y124 WeakPolarHBondContact CA-O 3.42Å |
| 33 | V | 93.4 | Very high | 84 | Confident | 57 Ų | 57 | 52.8 Ų | 52.8 | 35% | 0.345 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 135.1 | 168.4 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | G35 L95 L97 V123 Y124 E125 | V33-G35 PolarHBondContact O-N 3.3Å; V33-L95 CarbonylContact C-O 3.54Å; V33-L95 WeakPolarHBondContact CA-O 3.29Å; V33-L97 HydrophobicContact CG2-CD2 3.72Å; V33-L97 HydrophobicContact CG2-CG 3.93Å; V33-V123 HydrophobicContact CG2-CG1 3.87Å; V33-Y124 PolarHBondContact N-O 2.85Å; V33-E125 HydrophobicContact CG2-CG 4.36Å |
| 34 | G | 91.1 | Very high | 84.7 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 49% | 0.485 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | -11.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S32 L95 | S32-G34 PolarHBondContact O-N 2.66Å; G34-L95 PolarHBondContact N-O 3.17Å |
| 35 | G | 91.1 | Very high | 84.9 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | trans | -81.3 | -163.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S32 V33 R93 N94 L95 | S32-G35 WeakPolarHBondContact O-CA 3.14Å; S32-G35 PolarHBondContact O-N 3.27Å; V33-G35 PolarHBondContact O-N 3.3Å; G35-R93 CarbonylContact O-C 3.49Å; G35-N94 WeakPolarHBondContact O-CA 3.34Å; G35-N94 PolarHBondContact O-N 2.63Å; G35-L95 PolarHBondContact O-N 3.01Å | ||
| 36 | S | 90.9 | Very high | 85.4 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 49% | 0.49 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147 | 176.3 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | L92 | S36-L92 CarbonylContact C-O 3.56Å; S36-L92 WeakPolarHBondContact CA-O 2.98Å; S36-L92 WeakPolarHBondContact CB-O 3.35Å |
| 37 | V | 91.3 | Very high | 85.9 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.5 | 173.7 | 68.1 | 0 | 0 | 0 | 0 | 109.7 | L29 A31 L92 L95 V121 | L29-V37 HydrophobicContact CB-CG2 3.83Å; L29-V37 HydrophobicContact CD1-CG2 3.89Å; A31-V37 HydrophobicContact CB-CB 4.21Å; V37-L92 HydrophobicContact CG1-CB 4.11Å; V37-L92 PolarHBondContact N-O 3.4Å; V37-L92 PolarHBondContact O-N 3.06Å; V37-L95 HydrophobicContact CB-CD1 4.07Å; V37-L95 HydrophobicContact CG1-CD1 4.12Å; V37-L95 HydrophobicContact CG1-CD2 4.18Å; V37-V121 HydrophobicContact CG1-CG1 4.27Å |
| 38 | M | 90.5 | Very high | 86.5 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 26% | 0.261 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 105.3 | 175 | -172.4 | 75 | -165 | 0 | 0 | 109.5 | R40 F84 E91 | M38-R40 HydrophobicContact CB-CG 4.25Å; M38-R40 HydrophobicContact CE-CG 4.45Å; M38-R40 HydrophobicContact CG-CG 3.41Å; M38-R40 VanDerWaalsContact CG-CG 3.41Å; M38-R40 PolarHBondContact O-N 2.92Å; M38-F84 HydrophobicContact CE-CD2 3.29Å; M38-F84 HydrophobicContact CE-CE2 3.3Å; M38-F84 HydrophobicContact CE-CG 4.22Å; M38-F84 HydrophobicContact CE-CZ 4.22Å; M38-F84 HydrophobicContact SD-CD2 4.39Å; M38-F84 HydrophobicContact SD-CE2 3.85Å; M38-E91 HydrophobicContact SD-CB 3.62Å; M38-E91 HydrophobicContact SD-CG 4.26Å |
| 39 | L | 90 | Very high | 86.6 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 87.8 | 173.1 | -66.2 | 154 | 0 | 0 | 0 | 108.6 | L29 W55 S89 L90 Y103 T119 V121 | L29-L39 HydrophobicContact CD1-CD2 3.74Å; L29-L39 HydrophobicContact CD1-CG 4.38Å; L39-W55 HydrophobicContact CB-CH2 3.46Å; L39-W55 VanDerWaalsContact CB-CH2 3.46Å; L39-W55 HydrophobicContact CB-CZ2 3.81Å; L39-W55 HydrophobicContact CB-CZ3 4.06Å; L39-W55 HydrophobicContact CD1-CE3 4.17Å; L39-W55 HydrophobicContact CD1-CH2 4.17Å; L39-W55 HydrophobicContact CD1-CZ3 3.91Å; L39-W55 HydrophobicContact CD2-CH2 4.12Å; L39-W55 HydrophobicContact CD2-CZ3 4.05Å; L39-W55 HydrophobicContact CG-CH2 4.13Å; L39-W55 HydrophobicContact CG-CZ3 4.24Å; L39-S89 VanDerWaalsContact O-CA 3.26Å; L39-S89 WeakPolarHBondContact O-CA 3.41Å; L39-S89 VanDerWaalsContact O-CB 3.32Å; L39-S89 WeakPolarHBondContact O-CB 3.26Å; L39-L90 HydrophobicContact CB-CB 4.3Å; L39-L90 WeakPolarHBondContact CB-O 3.45Å; L39-L90 HydrophobicContact CD1-CB 4.22Å; L39-L90 HydrophobicContact CD1-CD2 3.99Å; L39-L90 HydrophobicContact CD1-CG 4.42Å; L39-L90 PolarHBondContact N-O 2.9Å; L39-L90 PolarHBondContact O-N 2.79Å; L39-Y103 HydrophobicContact CD1-CD1 3.84Å; L39-Y103 HydrophobicContact CD1-CE1 4.2Å; L39-Y103 HydrophobicContact CD1-CG 4.38Å; L39-Y103 HydrophobicContact CD2-CG 4.44Å; L39-T119 HydrophobicContact CD2-CG2 3.33Å; L39-V121 HydrophobicContact CD2-CG2 3.83Å |
| 40 | R | 88.3 | Confident | 86.4 | Confident | 169 Ų | 169 | 68.7 Ų | 68.7 | 64% | 0.638 | 38% | 0.383 | S | S | * | . | trans | -87.3 | 126.1 | -175.5 | -66.8 | -172.3 | 176.9 | 164 | 2.1 | 111.7 | L24 P25 M38 | L24-R40 WeakPolarHBondContact CD2-O 3.5Å; P25-R40 VanDerWaalsContact CD-O 3.31Å; P25-R40 WeakPolarHBondContact CD-O 3.26Å; M38-R40 HydrophobicContact CB-CG 4.25Å; M38-R40 HydrophobicContact CE-CG 4.45Å; M38-R40 HydrophobicContact CG-CG 3.41Å; M38-R40 VanDerWaalsContact CG-CG 3.41Å; M38-R40 PolarHBondContact O-N 2.92Å | ||
| 41 | T | 87.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 9% | 0.092 | 39% | 0.393 | C | S | . | . | trans | -76.6 | 149.1 | 167 | 61.3 | 0 | 0 | 0 | 0 | 111 | V23 L24 L43 T87 G88 S89 I107 | V23-T41 HydrophobicContact CG1-CG2 3.45Å; V23-T41 VanDerWaalsContact CG1-CG2 3.45Å; V23-T41 CarbonylContact O-C 3.55Å; V23-T41 WeakPolarHBondContact O-CA 3.44Å; L24-T41 HydrophobicContact CD2-CG2 4.15Å; T41-L43 PolarHBondContact O-N 2.95Å; T41-T87 WeakPolarHBondContact CB-O 3.29Å; T41-T87 PolarHBondContact OG1-O 2.93Å; T41-G88 VanDerWaalsContact CG2-C 3.45Å; T41-S89 PolarHBondContact N-OG 3.42Å; T41-S89 PolarHBondContact OG1-OG 3.39Å; T41-I107 HydrophobicContact CG2-CD1 4.34Å | ||
| 42 | N | 83.9 | Confident | 86.2 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 58% | 0.578 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -82.8 | 7 | 170.8 | 68.7 | -6.6 | 0 | 0 | 0 | 113.5 | G22 V23 | G22-N42 PolarHBondContact O-ND2 2.85Å; G22-N42 PolarHBondContact O-OD1 3.3Å; V23-N42 VanDerWaalsContact CA-OD1 3.31Å; V23-N42 WeakPolarHBondContact CA-OD1 3.33Å; V23-N42 PolarHBondContact O-N 2.89Å; V23-N42 PolarHBondContact O-OD1 2.82Å; V23-N42 VanDerWaalsContact O-OD1 3.1Å |
| 43 | L | 83.4 | Confident | 86.2 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -74 | 140.1 | 177.2 | -57.1 | 178.9 | 0 | 0 | 0 | 110.7 | V23 T41 F50 I107 M115 | V23-L43 HydrophobicContact CG1-CD1 4.04Å; V23-L43 HydrophobicContact CG1-CG 4.09Å; T41-L43 PolarHBondContact O-N 2.95Å; L43-F50 HydrophobicContact CB-CZ 4.46Å; L43-F50 HydrophobicContact CD1-CE2 4.03Å; L43-F50 HydrophobicContact CD1-CZ 3.84Å; L43-I107 HydrophobicContact CD1-CD1 3.51Å; L43-M115 HydrophobicContact CD1-SD 4.41Å; L43-M115 HydrophobicContact CD2-CE 3.68Å; L43-M115 HydrophobicContact CD2-SD 4.03Å |
| 44 | N | 79.8 | Confident | 86.2 | Confident | 144 Ų | 144 | 69.5 Ų | 69.5 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 144 | 170.5 | -70.8 | -26.8 | 0 | 0 | 0 | 110.1 | T46 | N44-T46 PolarHBondContact O-N 3.36Š|
| 45 | S | 79.6 | Confident | 86.3 | Confident | 85 Ų | 85 | 67.3 Ų | 67.3 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 130.4 | 173.1 | -172.1 | 0 | 0 | 0 | 0 | 110 | S86 | S45-S86 PolarHBondContact OG-OG 2.86Š|
| 46 | T | 78.7 | Confident | 86.3 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 150.8 | 177.4 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | N44 E48 F50 S86 | N44-T46 PolarHBondContact O-N 3.36Å; T46-E48 WeakPolarHBondContact CB-O 3.41Å; T46-E48 PolarHBondContact OG1-O 2.88Å; T46-F50 HydrophobicContact CG2-CE1 3.81Å; T46-F50 HydrophobicContact CG2-CZ 3.87Å; T46-S86 PolarHBondContact N-O 2.83Å; T46-S86 VanDerWaalsContact N-O 3.1Å; T46-S86 PolarHBondContact OG1-O 3.29Å |
| 47 | E | 76.3 | Confident | 86.2 | Confident | 208 Ų | 208 | 65.3 Ų | 65.3 | 97% | 0.972 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -69 | -37.3 | 173.6 | -72.1 | -170.3 | 165.1 | 0 | 0 | 111.5 | ||
| 48 | E | 80 | Confident | 85.7 | Confident | 156 Ų | 156 | 66.3 Ų | 66.3 | 73% | 0.729 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -108 | 135.1 | 170.5 | -67.2 | -169.4 | 168.2 | 0 | 0 | 110.6 | T46 | T46-E48 WeakPolarHBondContact CB-O 3.41Å; T46-E48 PolarHBondContact OG1-O 2.88Å |
| 49 | P | 81 | Confident | 84.9 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | trans | -64 | 154.2 | -177.5 | 27.4 | -34.5 | 0 | 0 | 0 | 112.3 | R85 | P49-R85 HydrophobicContact CB-CB 3.82Š| ||
| 50 | F | 85.8 | Confident | 84.4 | Confident | 16 Ų | 16 | 75 Ų | 75 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | trans | -59.3 | 143.2 | 177.2 | -63.8 | -59 | 0 | 0 | 0 | 112.3 | L43 T46 S52 V53 R85 S86 T87 I107 T109 | L43-F50 HydrophobicContact CB-CZ 4.46Å; L43-F50 HydrophobicContact CD1-CE2 4.03Å; L43-F50 HydrophobicContact CD1-CZ 3.84Å; T46-F50 HydrophobicContact CG2-CE1 3.81Å; T46-F50 HydrophobicContact CG2-CZ 3.87Å; F50-S52 VanDerWaalsContact C-N 3.28Å; F50-S52 PolarHBondContact O-N 3.46Å; F50-V53 HydrophobicContact CB-CG2 3.82Å; F50-V53 HydrophobicContact CD2-CG2 4.17Å; F50-V53 HydrophobicContact CG-CG2 4.45Å; F50-R85 WeakPolarHBondContact CD2-O 3.4Å; F50-R85 PolarHBondContact N-O 3.39Å; F50-R85 PolarHBondContact O-NH2 2.95Å; F50-S86 WeakPolarHBondContact CE2-O 3.22Å; F50-T87 WeakPolarHBondContact CE2-O 3.5Å; F50-I107 HydrophobicContact CB-CG2 3.89Å; F50-I107 HydrophobicContact CD1-CG2 3.83Å; F50-I107 HydrophobicContact CD2-CG2 3.78Å; F50-I107 HydrophobicContact CE1-CG2 4.3Å; F50-I107 HydrophobicContact CE2-CG2 4.27Å; F50-I107 HydrophobicContact CG-CG2 3.54Å; F50-T109 HydrophobicContact CD1-CG2 3.82Å; F50-T109 HydrophobicContact CE1-CG2 3.86Å | ||
| 51 | R | 87.2 | Confident | 83.8 | Confident | 162 Ų | 162 | 73 Ų | 73 | 61% | 0.611 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -57.2 | -42.9 | -177.2 | -175.6 | -179.7 | -179.3 | -176.6 | 0.6 | 111.1 | P68 L108 | R51-P68 HydrophobicContact CG-CG 4.24Å; R51-P68 VanDerWaalsContact O-CD 3.31Å; R51-P68 WeakPolarHBondContact O-CD 3.36Å; R51-P68 WeakPolarHBondContact O-CG 3.49Å; R51-L108 WeakPolarHBondContact CB-O 3.29Å; R51-L108 PolarHBondContact N-O 3.21Å |
| 52 | S | 89.4 | Confident | 83.7 | Confident | 15 Ų | 15 | 75 Ų | 75 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.3 | 165.5 | 72.5 | 0 | 0 | 0 | 0 | 112.2 | F50 S66 L108 | F50-S52 VanDerWaalsContact C-N 3.28Å; F50-S52 PolarHBondContact O-N 3.46Å; S52-S66 WeakPolarHBondContact CA-O 3.35Å; S52-S66 VanDerWaalsContact CB-O 3.22Å; S52-S66 WeakPolarHBondContact CB-O 3.36Å; S52-L108 PolarHBondContact N-O 2.95Å; S52-L108 PolarHBondContact O-N 2.69Å; S52-L108 WeakPolarHBondContact OG-CB 3.36Å; S52-L108 WeakPolarHBondContact OG-CD1 3.4Å |
| 53 | V | 92.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.6 | 170.5 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | F50 S66 L83 V105 I107 | F50-V53 HydrophobicContact CB-CG2 3.82Å; F50-V53 HydrophobicContact CD2-CG2 4.17Å; F50-V53 HydrophobicContact CG-CG2 4.45Å; V53-S66 PolarHBondContact N-O 3.28Å; V53-S66 VanDerWaalsContact N-O 3.12Å; V53-S66 WeakPolarHBondContact O-CB 3.43Å; V53-S66 PolarHBondContact O-N 3.22Å; V53-L83 HydrophobicContact CB-CD1 4.5Å; V53-L83 HydrophobicContact CB-CD2 4.4Å; V53-L83 HydrophobicContact CG1-CD1 3.94Å; V53-V105 HydrophobicContact CG1-CG2 4.07Å; V53-I107 HydrophobicContact CG1-CG1 4.31Å; V53-I107 HydrophobicContact CG2-CG1 4.48Å; V53-I107 HydrophobicContact CG2-CG2 4.5Å |
| 54 | S | 92.1 | Very high | 84.5 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.5 | 171.6 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | I64 N65 V105 N106 | S54-I64 CarbonylContact C-O 3.59Å; S54-I64 VanDerWaalsContact CA-O 3.26Å; S54-I64 WeakPolarHBondContact CA-O 3.44Å; S54-N65 WeakPolarHBondContact CB-OD1 3.46Å; S54-V105 CarbonylContact O-C 3.53Å; S54-V105 WeakPolarHBondContact O-CA 3.44Å; S54-N106 PolarHBondContact N-O 2.84Å; S54-N106 PolarHBondContact O-N 2.79Å |
| 55 | W | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134 | 171.2 | -81.1 | 92.5 | 0 | 0 | 0 | 109.2 | L24 L39 I63 I64 G88 L90 Y103 R104 V105 | L24-W55 HydrophobicContact CD1-CH2 3.38Å; L24-W55 HydrophobicContact CD1-CZ2 4.42Å; L24-W55 HydrophobicContact CD1-CZ3 3.74Å; L24-W55 HydrophobicContact CD2-CH2 3.56Å; L24-W55 HydrophobicContact CD2-CZ2 4.05Å; L24-W55 HydrophobicContact CG-CH2 4.07Å; L39-W55 HydrophobicContact CB-CH2 3.46Å; L39-W55 VanDerWaalsContact CB-CH2 3.46Å; L39-W55 HydrophobicContact CB-CZ2 3.81Å; L39-W55 HydrophobicContact CB-CZ3 4.06Å; L39-W55 HydrophobicContact CD1-CE3 4.17Å; L39-W55 HydrophobicContact CD1-CH2 4.17Å; L39-W55 HydrophobicContact CD1-CZ3 3.91Å; L39-W55 HydrophobicContact CD2-CH2 4.12Å; L39-W55 HydrophobicContact CD2-CZ3 4.05Å; L39-W55 HydrophobicContact CG-CH2 4.13Å; L39-W55 HydrophobicContact CG-CZ3 4.24Å; W55-I63 HydrophobicContact CB-CB 4.43Å; W55-I63 WeakPolarHBondContact O-CA 3.43Å; W55-I63 WeakPolarHBondContact O-CB 3.28Å; W55-I63 PolarHBondContact O-N 2.94Å; W55-I64 HydrophobicContact CB-CG2 3.94Å; W55-I64 PolarHBondContact N-O 2.99Å; W55-I64 PolarHBondContact O-N 3.25Å; W55-G88 PolarHBondContact NE1-O 2.9Å; W55-L90 HydrophobicContact CB-CD2 3.89Å; W55-L90 HydrophobicContact CD2-CB 4.1Å; W55-L90 HydrophobicContact CD2-CD2 4.02Å; W55-L90 HydrophobicContact CG-CB 4.16Å; W55-L90 HydrophobicContact CG-CD2 3.72Å; W55-L90 HydrophobicContact CG-CG 4.47Å; W55-L90 HydrophobicContact CZ2-CB 4.19Å; W55-Y103 HydrophobicContact CE3-CD1 4.42Å; W55-R104 WeakPolarHBondContact CA-O 3.49Å; W55-V105 HydrophobicContact CD2-CB 3.81Å; W55-V105 HydrophobicContact CD2-CG2 3.95Å; W55-V105 VanDerWaalsContact CE2-CG2 3.45Å; W55-V105 HydrophobicContact CE3-CB 3.96Å; W55-V105 HydrophobicContact CG-CG2 4.3Å; W55-V105 HydrophobicContact CH2-CB 3.77Å; W55-V105 HydrophobicContact CH2-CG1 4.25Å; W55-V105 HydrophobicContact CH2-CG2 4.45Å; W55-V105 HydrophobicContact CZ2-CB 3.59Å; W55-V105 HydrophobicContact CZ2-CG1 4.23Å; W55-V105 HydrophobicContact CZ2-CG2 3.77Å; W55-V105 HydrophobicContact CZ3-CB 3.94Å |
| 56 | N | 91.2 | Very high | 85.7 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 156.6 | 178.8 | 65.3 | -84.4 | 0 | 0 | 0 | 110.4 | P62 R104 N106 | N56-P62 HydrophobicContact CB-CB 4.43Å; N56-R104 PolarHBondContact N-O 2.68Å; N56-R104 PolarHBondContact O-N 2.84Å; N56-N106 PolarHBondContact OD1-ND2 2.83Å |
| 57 | F | 89.4 | Confident | 86.1 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 142.6 | 161.8 | -78.9 | -82.1 | 0 | 0 | 0 | 109.2 | D59 S60 I63 Y77 D102 Y103 | F57-D59 PolarHBondContact O-N 3.32Å; F57-S60 PolarHBondContact O-N 2.87Å; F57-S60 VanDerWaalsContact O-N 3.12Å; F57-I63 HydrophobicContact CD2-CD1 3.98Å; F57-I63 HydrophobicContact CD2-CG1 4.15Å; F57-I63 HydrophobicContact CE2-CD1 3.97Å; F57-I63 HydrophobicContact CE2-CG1 4.25Å; F57-Y77 WeakPolarHBondContact CE2-OH 3.41Å; F57-D102 CarbonylContact C-O 3.24Å; F57-D102 VanDerWaalsContact CA-O 3.27Å; F57-D102 WeakPolarHBondContact CA-O 3.45Å; F57-Y103 HydrophobicContact CD1-CD2 4.38Å; F57-Y103 HydrophobicContact CD1-CE2 4.15Å; F57-Y103 HydrophobicContact CE1-CD2 4.04Å; F57-Y103 HydrophobicContact CE1-CE1 4.29Å; F57-Y103 AromaticContact CE1-CE2 3.39Å; F57-Y103 HydrophobicContact CE1-CE2 3.39Å; F57-Y103 AromaticContact CE1-CZ 3.55Å; F57-Y103 HydrophobicContact CE2-CE1 4.38Å; F57-Y103 HydrophobicContact CZ-CE1 4.04Å; F57-Y103 AromaticContact CZ-CE2 3.78Å; F57-Y103 HydrophobicContact CZ-CE2 3.78Å; F57-Y103 AromaticContact CZ-CZ 3.41Å; F57-Y103 VanDerWaalsContact CZ-CZ 3.41Å; F57-Y103 VanDerWaalsContact CZ-OH 3.22Å; F57-Y103 WeakPolarHBondContact CZ-OH 3.39Å |
| 58 | V | 80.1 | Confident | 86.3 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -36.6 | -172.2 | 162.5 | 0 | 0 | 0 | 0 | 113.1 | D102 R104 | V58-D102 HydrophobicContact CB-CB 3.95Å; V58-D102 HydrophobicContact CG2-CB 3.68Å; V58-D102 PolarHBondContact N-O 3.13Å; V58-R104 HydrophobicContact CG2-CB 4.06Å |
| 59 | D | 74.6 | Confident | 86.3 | Confident | 159 Ų | 159 | 57 Ų | 57 | 85% | 0.85 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 18.8 | -179 | -63.5 | -42.7 | 0 | 0 | 0 | 114 | F57 | F57-D59 PolarHBondContact O-N 3.32Š|
| 60 | S | 78.8 | Confident | 86.5 | Confident | 78 Ų | 78 | 55.2 Ų | 55.2 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -141.2 | -176.4 | -175.6 | -176.3 | 0 | 0 | 0 | 0 | 113 | F57 | F57-S60 PolarHBondContact O-N 2.87Å; F57-S60 VanDerWaalsContact O-N 3.12Å |
| 61 | N | 77.1 | Confident | 86.7 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 68% | 0.679 | 33% | 0.326 | S | S | * | . | trans | -59.7 | 155.3 | -174.2 | -72.5 | -36.1 | 0 | 0 | 0 | 112.8 | I63 | N61-I63 PolarHBondContact O-N 3.43Š| ||
| 62 | P | 84.7 | Confident | 86.8 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 133.9 | 175.7 | 27.8 | -34.3 | 0 | 0 | 0 | 111.6 | N56 N65 A74 | N56-P62 HydrophobicContact CB-CB 4.43Å; P62-N65 WeakPolarHBondContact CB-ND2 3.48Å; P62-A74 WeakPolarHBondContact O-CB 3.45Å |
| 63 | I | 90.6 | Very high | 87 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -50.2 | 172.8 | -64.5 | 163.9 | 0 | 0 | 0 | 108.9 | W55 F57 N61 A74 Y77 I81 L90 Y103 | W55-I63 HydrophobicContact CB-CB 4.43Å; W55-I63 WeakPolarHBondContact O-CA 3.43Å; W55-I63 WeakPolarHBondContact O-CB 3.28Å; W55-I63 PolarHBondContact O-N 2.94Å; F57-I63 HydrophobicContact CD2-CD1 3.98Å; F57-I63 HydrophobicContact CD2-CG1 4.15Å; F57-I63 HydrophobicContact CE2-CD1 3.97Å; F57-I63 HydrophobicContact CE2-CG1 4.25Å; N61-I63 PolarHBondContact O-N 3.43Å; I63-A74 PolarHBondContact O-N 2.82Å; I63-Y77 HydrophobicContact CB-CD2 4.17Å; I63-Y77 HydrophobicContact CB-CE2 4.28Å; I63-Y77 HydrophobicContact CG1-CD2 4.24Å; I63-Y77 HydrophobicContact CG1-CE2 3.85Å; I63-Y77 HydrophobicContact CG2-CD1 4.29Å; I63-Y77 HydrophobicContact CG2-CD2 3.7Å; I63-Y77 HydrophobicContact CG2-CE2 4.17Å; I63-Y77 HydrophobicContact CG2-CG 3.8Å; I63-I81 HydrophobicContact CG2-CG2 4.49Å; I63-L90 HydrophobicContact CG2-CD2 4.33Å; I63-Y103 HydrophobicContact CD1-CD1 3.55Å; I63-Y103 HydrophobicContact CD1-CE1 3.35Å |
| 64 | I | 92.8 | Very high | 86.9 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 137.2 | 175 | -180 | 167.4 | 0 | 0 | 0 | 110.4 | S54 W55 N71 V72 I81 L83 L90 | S54-I64 CarbonylContact C-O 3.59Å; S54-I64 VanDerWaalsContact CA-O 3.26Å; S54-I64 WeakPolarHBondContact CA-O 3.44Å; W55-I64 HydrophobicContact CB-CG2 3.94Å; W55-I64 PolarHBondContact N-O 2.99Å; W55-I64 PolarHBondContact O-N 3.25Å; I64-N71 HydrophobicContact CD1-CB 4.41Å; I64-V72 CarbonylContact C-O 3.49Å; I64-V72 WeakPolarHBondContact CA-O 3.31Å; I64-I81 HydrophobicContact CB-CD1 3.7Å; I64-I81 HydrophobicContact CD1-CD1 3.67Å; I64-I81 HydrophobicContact CG1-CD1 4.21Å; I64-I81 HydrophobicContact CG2-CD1 3.94Å; I64-L83 HydrophobicContact CD1-CB 4.05Å; I64-L83 HydrophobicContact CD1-CD2 3.88Å; I64-L83 HydrophobicContact CG1-CD2 4.48Å; I64-L90 HydrophobicContact CG2-CD1 4.15Å |
| 65 | N | 92.1 | Very high | 86.8 | Confident | 56 Ų | 56 | 62.6 Ų | 62.6 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 109.6 | 168.1 | -72.2 | -34.3 | 0 | 0 | 0 | 109 | S54 P62 N71 V72 | S54-N65 WeakPolarHBondContact CB-OD1 3.46Å; P62-N65 WeakPolarHBondContact CB-ND2 3.48Å; N65-N71 WeakPolarHBondContact O-CA 3.49Å; N65-V72 PolarHBondContact N-O 2.78Å; N65-V72 PolarHBondContact O-N 2.92Å |
| 66 | S | 91.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.3 | 176 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | S52 V53 N71 R85 | S52-S66 WeakPolarHBondContact CA-O 3.35Å; S52-S66 VanDerWaalsContact CB-O 3.22Å; S52-S66 WeakPolarHBondContact CB-O 3.36Å; V53-S66 PolarHBondContact N-O 3.28Å; V53-S66 VanDerWaalsContact N-O 3.12Å; V53-S66 WeakPolarHBondContact O-CB 3.43Å; V53-S66 PolarHBondContact O-N 3.22Å; S66-N71 WeakPolarHBondContact CA-OD1 3.16Å; S66-N71 VanDerWaalsContact CB-OD1 3.22Å; S66-N71 WeakPolarHBondContact CB-OD1 3.41Å; S66-N71 PolarHBondContact OG-OD1 2.82Å; S66-R85 WeakPolarHBondContact OG-CD 3.36Å; S66-R85 PolarHBondContact OG-NE 2.74Å |
| 67 | L | 87.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 168 | 178.5 | -67 | 171.4 | 0 | 0 | 0 | 110 | D69 G70 | L67-D69 PolarHBondContact O-N 2.86Å; L67-G70 PolarHBondContact N-O 2.78Å; L67-G70 PolarHBondContact O-N 3.44Å |
| 68 | P | 81.1 | Confident | 86.7 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.2 | 176.1 | -25.7 | 36.7 | 0 | 0 | 0 | 113.4 | R51 | R51-P68 HydrophobicContact CG-CG 4.24Å; R51-P68 VanDerWaalsContact O-CD 3.31Å; R51-P68 WeakPolarHBondContact O-CD 3.36Å; R51-P68 WeakPolarHBondContact O-CG 3.49Å |
| 69 | D | 80.9 | Confident | 87.2 | Confident | 167 Ų | 167 | 78 Ų | 78 | 89% | 0.893 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.1 | -174.1 | -53 | -34.2 | 0 | 0 | 0 | 113.5 | L67 | L67-D69 PolarHBondContact O-N 2.86Š|
| 70 | G | 84.5 | Confident | 88.1 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.6 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L67 | L67-G70 PolarHBondContact N-O 2.78Å; L67-G70 PolarHBondContact O-N 3.44Å |
| 71 | N | 89.4 | Confident | 88.8 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137 | 174.8 | -66.1 | -4.6 | 0 | 0 | 0 | 109.9 | I64 N65 S66 | I64-N71 HydrophobicContact CD1-CB 4.41Å; N65-N71 WeakPolarHBondContact O-CA 3.49Å; S66-N71 WeakPolarHBondContact CA-OD1 3.16Å; S66-N71 VanDerWaalsContact CB-OD1 3.22Å; S66-N71 WeakPolarHBondContact CB-OD1 3.41Å; S66-N71 PolarHBondContact OG-OD1 2.82Å |
| 72 | V | 90.7 | Very high | 89.6 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 62% | 0.618 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 112.8 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | I64 N65 | I64-V72 CarbonylContact C-O 3.49Å; I64-V72 WeakPolarHBondContact CA-O 3.31Å; N65-V72 PolarHBondContact N-O 2.78Å; N65-V72 PolarHBondContact O-N 2.92Å |
| 73 | T | 92.4 | Very high | 89.9 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.7 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 109 | I81 | T73-I81 HydrophobicContact CG2-CD1 3.46Å; T73-I81 VanDerWaalsContact CG2-CD1 3.46Å; T73-I81 HydrophobicContact CG2-CG1 4.04Å |
| 74 | A | 91 | Very high | 89.9 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | trans | -67.9 | 142.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P62 I63 E76 Y77 E78 | P62-A74 WeakPolarHBondContact O-CB 3.45Å; I63-A74 PolarHBondContact O-N 2.82Å; A74-E76 PolarHBondContact O-N 2.01Å; A74-E76 VanDerWaalsContact O-N 3.09Å; A74-Y77 HydrophobicContact CB-CD2 4.03Å; A74-Y77 HydrophobicContact CB-CE2 4.46Å; A74-Y77 PolarHBondContact O-N 2.75Å; A74-E78 PolarHBondContact O-N 3.46Å | ||
| 75 | P | 90.1 | Very high | 89.7 | Confident | 111 Ų | 111 | 71 Ų | 71 | 72% | 0.721 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -55.6 | -33.5 | -170.5 | -28 | 34.6 | 0 | 0 | 0 | 115.1 | Y77 E78 | P75-Y77 PolarHBondContact O-N 2.76Å; P75-E78 WeakPolarHBondContact O-CB 3.48Å; P75-E78 PolarHBondContact O-N 3.48Å |
| 76 | E | 89.4 | Confident | 89.4 | Confident | 126 Ų | 126 | 70.3 Ų | 70.3 | 59% | 0.589 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -70.4 | -13.7 | -179.2 | 67.2 | -168.4 | -165.9 | 0 | 0 | 114.5 | A74 R80 | A74-E76 PolarHBondContact O-N 2.01Å; A74-E76 VanDerWaalsContact O-N 3.09Å; E76-R80 PolarHBondContact O-NH1 3.28Å |
| 77 | Y | 91.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 4% | 0.043 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -113.2 | 2.1 | 177.1 | -53.8 | -72.1 | 0 | 0 | 0 | 113.1 | F57 I63 A74 P75 D79 R80 I81 L92 | F57-Y77 WeakPolarHBondContact CE2-OH 3.41Å; I63-Y77 HydrophobicContact CB-CD2 4.17Å; I63-Y77 HydrophobicContact CB-CE2 4.28Å; I63-Y77 HydrophobicContact CG1-CD2 4.24Å; I63-Y77 HydrophobicContact CG1-CE2 3.85Å; I63-Y77 HydrophobicContact CG2-CD1 4.29Å; I63-Y77 HydrophobicContact CG2-CD2 3.7Å; I63-Y77 HydrophobicContact CG2-CE2 4.17Å; I63-Y77 HydrophobicContact CG2-CG 3.8Å; A74-Y77 HydrophobicContact CB-CD2 4.03Å; A74-Y77 HydrophobicContact CB-CE2 4.46Å; A74-Y77 PolarHBondContact O-N 2.75Å; P75-Y77 PolarHBondContact O-N 2.76Å; Y77-D79 PolarHBondContact O-N 3.22Å; Y77-R80 PolarHBondContact O-N 3.42Å; Y77-R80 VanDerWaalsContact O-N 3.08Å; Y77-I81 PolarHBondContact O-N 2.93Å; Y77-L92 HydrophobicContact CD1-CD1 3.83Å |
| 78 | E | 89.4 | Confident | 89.2 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 59% | 0.593 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 137 | 174.2 | -161.9 | 164.5 | -161.6 | 0 | 0 | 109.5 | A74 P75 R80 | A74-E78 PolarHBondContact O-N 3.46Å; P75-E78 WeakPolarHBondContact O-CB 3.48Å; P75-E78 PolarHBondContact O-N 3.48Å; E78-R80 PolarHBondContact O-N 3.41Å |
| 79 | D | 90.6 | Very high | 89.7 | Confident | 144 Ų | 144 | 63.7 Ų | 63.7 | 77% | 0.77 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -11.2 | -171.1 | -57.7 | -39.7 | 0 | 0 | 0 | 117.3 | Y77 R93 | Y77-D79 PolarHBondContact O-N 3.22Å; D79-R93 PolarHBondContact O-NH2 2.91Å |
| 80 | R | 93.5 | Very high | 90.2 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -10.4 | -178.7 | -66 | 178.5 | 59.3 | -153 | -5.9 | 113.7 | E76 Y77 E78 L92 R93 N94 N96 D99 | E76-R80 PolarHBondContact O-NH1 3.28Å; Y77-R80 PolarHBondContact O-N 3.42Å; Y77-R80 VanDerWaalsContact O-N 3.08Å; E78-R80 PolarHBondContact O-N 3.41Å; R80-L92 HydrophobicContact CB-CD1 4.14Å; R80-L92 CarbonylContact O-C 3.58Å; R80-L92 WeakPolarHBondContact O-CA 2.9Å; R80-R93 PolarHBondContact NE-O 3.35Å; R80-R93 PolarHBondContact NH2-O 2.85Å; R80-R93 WeakPolarHBondContact O-CB 3.35Å; R80-R93 PolarHBondContact O-N 2.9Å; R80-N94 VanDerWaalsContact CZ-O 3.27Å; R80-N94 PolarHBondContact NE-O 2.88Å; R80-N94 PolarHBondContact NH2-O 2.73Å; R80-N96 PolarHBondContact NH1-ND2 2.95Å; R80-D99 IonicContact CZ-OD1 2.99Å; R80-D99 IonicContact CZ-OD2 2.88Å; R80-D99 IonicContact NH1-OD1 3.28Å; R80-D99 IonicContact NH1-OD2 3.84Å; R80-D99 IonicContact NH2-OD1 2.94Å; R80-D99 PolarHBondContact NH2-OD1 3.14Å; R80-D99 IonicContact NH2-OD2 3.54Å; R80-D99 PolarHBondContact NH2-OD2 2.83Å |
| 81 | I | 94.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 150.5 | -177.1 | 62.7 | 167.5 | 0 | 0 | 0 | 114.4 | I63 I64 T73 Y77 L90 E91 L92 | I63-I81 HydrophobicContact CG2-CG2 4.49Å; I64-I81 HydrophobicContact CB-CD1 3.7Å; I64-I81 HydrophobicContact CD1-CD1 3.67Å; I64-I81 HydrophobicContact CG1-CD1 4.21Å; I64-I81 HydrophobicContact CG2-CD1 3.94Å; T73-I81 HydrophobicContact CG2-CD1 3.46Å; T73-I81 VanDerWaalsContact CG2-CD1 3.46Å; T73-I81 HydrophobicContact CG2-CG1 4.04Å; Y77-I81 PolarHBondContact O-N 2.93Å; I81-L90 HydrophobicContact CB-CD1 3.91Å; I81-L90 HydrophobicContact CD1-CD1 4.25Å; I81-L90 HydrophobicContact CG2-CD1 4.23Å; I81-E91 CarbonylContact C-O 3.58Å; I81-E91 WeakPolarHBondContact CA-O 3.46Å; I81-L92 HydrophobicContact CG2-CB 4.43Å; I81-L92 HydrophobicContact CG2-CD1 3.53Å |
| 82 | T | 93.1 | Very high | 90.8 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 117.7 | 164.8 | -45.5 | 0 | 0 | 0 | 0 | 108.8 | F84 E91 R93 | T82-F84 HydrophobicContact CG2-CE1 4.41Å; T82-F84 HydrophobicContact CG2-CE2 4.01Å; T82-F84 HydrophobicContact CG2-CZ 3.88Å; T82-E91 WeakPolarHBondContact CB-OE2 3.28Å; T82-E91 PolarHBondContact N-O 3.11Å; T82-E91 PolarHBondContact O-N 3.03Å; T82-E91 PolarHBondContact OG1-OE2 3Å; T82-R93 PolarHBondContact OG1-NH1 2.89Å |
| 83 | L | 92.3 | Very high | 91 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 123.5 | 176.9 | -177.9 | 70.9 | 0 | 0 | 0 | 111.1 | V53 I64 R85 L90 | V53-L83 HydrophobicContact CB-CD1 4.5Å; V53-L83 HydrophobicContact CB-CD2 4.4Å; V53-L83 HydrophobicContact CG1-CD1 3.94Å; I64-L83 HydrophobicContact CD1-CB 4.05Å; I64-L83 HydrophobicContact CD1-CD2 3.88Å; I64-L83 HydrophobicContact CG1-CD2 4.48Å; L83-R85 HydrophobicContact CD2-CG 3.97Å; L83-R85 HydrophobicContact CG-CG 4.25Å; L83-R85 PolarHBondContact O-N 3.24Å; L83-L90 HydrophobicContact CB-CD1 4.36Å; L83-L90 HydrophobicContact CD1-CD1 4.2Å |
| 84 | F | 90.8 | Very high | 91 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 37% | 0.368 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 87.8 | 176.3 | -60.8 | -90.8 | 0 | 0 | 0 | 109.9 | M38 T82 S86 T87 G88 S89 E91 | M38-F84 HydrophobicContact CE-CD2 3.29Å; M38-F84 HydrophobicContact CE-CE2 3.3Å; M38-F84 HydrophobicContact CE-CG 4.22Å; M38-F84 HydrophobicContact CE-CZ 4.22Å; M38-F84 HydrophobicContact SD-CD2 4.39Å; M38-F84 HydrophobicContact SD-CE2 3.85Å; T82-F84 HydrophobicContact CG2-CE1 4.41Å; T82-F84 HydrophobicContact CG2-CE2 4.01Å; T82-F84 HydrophobicContact CG2-CZ 3.88Å; F84-S86 VanDerWaalsContact C-N 3.25Å; F84-S86 PolarHBondContact O-N 2.95Å; F84-S86 VanDerWaalsContact O-N 3.16Å; F84-T87 PolarHBondContact O-N 2.71Å; F84-T87 PolarHBondContact O-OG1 3.43Å; F84-G88 WeakPolarHBondContact O-CA 3.42Å; F84-G88 PolarHBondContact O-N 2.95Å; F84-S89 PolarHBondContact N-O 3.46Å; F84-S89 PolarHBondContact O-N 2.88Å; F84-E91 HydrophobicContact CE2-CB 4.03Å |
| 85 | R | 88.4 | Confident | 91 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 24% | 0.242 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.3 | -172.5 | -68.4 | -169.5 | 66.7 | 177.9 | 2.9 | 115.7 | P49 F50 S66 L83 | P49-R85 HydrophobicContact CB-CB 3.82Å; F50-R85 WeakPolarHBondContact CD2-O 3.4Å; F50-R85 PolarHBondContact N-O 3.39Å; F50-R85 PolarHBondContact O-NH2 2.95Å; S66-R85 WeakPolarHBondContact OG-CD 3.36Å; S66-R85 PolarHBondContact OG-NE 2.74Å; L83-R85 HydrophobicContact CD2-CG 3.97Å; L83-R85 HydrophobicContact CG-CG 4.25Å; L83-R85 PolarHBondContact O-N 3.24Å |
| 86 | S | 86.1 | Confident | 91.1 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.6 | 179.4 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | S45 T46 F50 F84 | S45-S86 PolarHBondContact OG-OG 2.86Å; T46-S86 PolarHBondContact N-O 2.83Å; T46-S86 VanDerWaalsContact N-O 3.1Å; T46-S86 PolarHBondContact OG1-O 3.29Å; F50-S86 WeakPolarHBondContact CE2-O 3.22Å; F84-S86 VanDerWaalsContact C-N 3.25Å; F84-S86 PolarHBondContact O-N 2.95Å; F84-S86 VanDerWaalsContact O-N 3.16Å |
| 87 | T | 87.6 | Confident | 91.2 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 17% | 0.172 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -26.2 | 176.2 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | T41 F50 F84 S89 | T41-T87 WeakPolarHBondContact CB-O 3.29Å; T41-T87 PolarHBondContact OG1-O 2.93Å; F50-T87 WeakPolarHBondContact CE2-O 3.5Å; F84-T87 PolarHBondContact O-N 2.71Å; F84-T87 PolarHBondContact O-OG1 3.43Å; T87-S89 VanDerWaalsContact C-N 3.34Å; T87-S89 WeakPolarHBondContact OG1-CB 3.3Å; T87-S89 PolarHBondContact OG1-N 2.95Å; T87-S89 PolarHBondContact OG1-OG 3.47Å |
| 88 | G | 87.1 | Confident | 91.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 3.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T41 W55 F84 | T41-G88 VanDerWaalsContact CG2-C 3.45Å; W55-G88 PolarHBondContact NE1-O 2.9Å; F84-G88 WeakPolarHBondContact O-CA 3.42Å; F84-G88 PolarHBondContact O-N 2.95Å |
| 89 | S | 90.6 | Very high | 91.2 | Very high | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 151.8 | -177.6 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | L39 T41 F84 T87 | L39-S89 VanDerWaalsContact O-CA 3.26Å; L39-S89 WeakPolarHBondContact O-CA 3.41Å; L39-S89 VanDerWaalsContact O-CB 3.32Å; L39-S89 WeakPolarHBondContact O-CB 3.26Å; T41-S89 PolarHBondContact N-OG 3.42Å; T41-S89 PolarHBondContact OG1-OG 3.39Å; F84-S89 PolarHBondContact N-O 3.46Å; F84-S89 PolarHBondContact O-N 2.88Å; T87-S89 VanDerWaalsContact C-N 3.34Å; T87-S89 WeakPolarHBondContact OG1-CB 3.3Å; T87-S89 PolarHBondContact OG1-N 2.95Å; T87-S89 PolarHBondContact OG1-OG 3.47Å |
| 90 | L | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.8 | 177.8 | -176.8 | 70.6 | 0 | 0 | 0 | 110.4 | L39 W55 I63 I64 I81 L83 | L39-L90 HydrophobicContact CB-CB 4.3Å; L39-L90 WeakPolarHBondContact CB-O 3.45Å; L39-L90 HydrophobicContact CD1-CB 4.22Å; L39-L90 HydrophobicContact CD1-CD2 3.99Å; L39-L90 HydrophobicContact CD1-CG 4.42Å; L39-L90 PolarHBondContact N-O 2.9Å; L39-L90 PolarHBondContact O-N 2.79Å; W55-L90 HydrophobicContact CB-CD2 3.89Å; W55-L90 HydrophobicContact CD2-CB 4.1Å; W55-L90 HydrophobicContact CD2-CD2 4.02Å; W55-L90 HydrophobicContact CG-CB 4.16Å; W55-L90 HydrophobicContact CG-CD2 3.72Å; W55-L90 HydrophobicContact CG-CG 4.47Å; W55-L90 HydrophobicContact CZ2-CB 4.19Å; I63-L90 HydrophobicContact CG2-CD2 4.33Å; I64-L90 HydrophobicContact CG2-CD1 4.15Å; I81-L90 HydrophobicContact CB-CD1 3.91Å; I81-L90 HydrophobicContact CD1-CD1 4.25Å; I81-L90 HydrophobicContact CG2-CD1 4.23Å; L83-L90 HydrophobicContact CB-CD1 4.36Å; L83-L90 HydrophobicContact CD1-CD1 4.2Å |
| 91 | E | 92.9 | Very high | 91.1 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.9 | 162.3 | -174.5 | -173.5 | -146.4 | 0 | 0 | 108.4 | M38 I81 T82 F84 R93 | M38-E91 HydrophobicContact SD-CB 3.62Å; M38-E91 HydrophobicContact SD-CG 4.26Å; I81-E91 CarbonylContact C-O 3.58Å; I81-E91 WeakPolarHBondContact CA-O 3.46Å; T82-E91 WeakPolarHBondContact CB-OE2 3.28Å; T82-E91 PolarHBondContact N-O 3.11Å; T82-E91 PolarHBondContact O-N 3.03Å; T82-E91 PolarHBondContact OG1-OE2 3Å; F84-E91 HydrophobicContact CE2-CB 4.03Å; E91-R93 HydrophobicContact CG-CG 3.95Å; E91-R93 IonicContact OE2-NH1 2.82Å; E91-R93 PolarHBondContact OE2-NH1 2.54Å |
| 92 | L | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.5 | 169.9 | 175.6 | 63.2 | 0 | 0 | 0 | 108.9 | S36 V37 Y77 R80 I81 L95 D99 Y103 | S36-L92 CarbonylContact C-O 3.56Å; S36-L92 WeakPolarHBondContact CA-O 2.98Å; S36-L92 WeakPolarHBondContact CB-O 3.35Å; V37-L92 HydrophobicContact CG1-CB 4.11Å; V37-L92 PolarHBondContact N-O 3.4Å; V37-L92 PolarHBondContact O-N 3.06Å; Y77-L92 HydrophobicContact CD1-CD1 3.83Å; R80-L92 HydrophobicContact CB-CD1 4.14Å; R80-L92 CarbonylContact O-C 3.58Å; R80-L92 WeakPolarHBondContact O-CA 2.9Å; I81-L92 HydrophobicContact CG2-CB 4.43Å; I81-L92 HydrophobicContact CG2-CD1 3.53Å; L92-L95 HydrophobicContact CB-CD2 4.4Å; L92-L95 HydrophobicContact CD2-CD2 3.48Å; L92-L95 VanDerWaalsContact CD2-CD2 3.48Å; L92-L95 HydrophobicContact CG-CD2 3.6Å; L92-D99 HydrophobicContact CD2-CB 4.28Å; L92-Y103 HydrophobicContact CD2-CE1 4.46Å |
| 93 | R | 94.3 | Very high | 90.8 | Very high | 92 Ų | 92 | 44.1 Ų | 44.1 | 35% | 0.347 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 163.9 | -172.4 | -57.2 | 179.1 | -67.9 | -133.4 | -2.6 | 111.4 | G35 D79 R80 T82 E91 L95 | G35-R93 CarbonylContact O-C 3.49Å; D79-R93 PolarHBondContact O-NH2 2.91Å; R80-R93 PolarHBondContact NE-O 3.35Å; R80-R93 PolarHBondContact NH2-O 2.85Å; R80-R93 WeakPolarHBondContact O-CB 3.35Å; R80-R93 PolarHBondContact O-N 2.9Å; T82-R93 PolarHBondContact OG1-NH1 2.89Å; E91-R93 HydrophobicContact CG-CG 3.95Å; E91-R93 IonicContact OE2-NH1 2.82Å; E91-R93 PolarHBondContact OE2-NH1 2.54Å; R93-L95 VanDerWaalsContact C-N 3.34Å; R93-L95 PolarHBondContact O-N 2.84Å |
| 94 | N | 92.4 | Very high | 90.7 | Very high | 107 Ų | 107 | 46.2 Ų | 46.2 | 57% | 0.572 | 24% | 0.237 | S | C | * | . | S | Bend | trans | 51.5 | 54.4 | -179.1 | -170.6 | 27.4 | 0 | 0 | 0 | 111 | G35 R80 | G35-N94 WeakPolarHBondContact O-CA 3.34Å; G35-N94 PolarHBondContact O-N 2.63Å; R80-N94 VanDerWaalsContact CZ-O 3.27Å; R80-N94 PolarHBondContact NE-O 2.88Å; R80-N94 PolarHBondContact NH2-O 2.73Å |
| 95 | L | 92.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -63.1 | 148.2 | -175.3 | -69.2 | 167.6 | 0 | 0 | 0 | 112.2 | A31 V33 G34 G35 V37 L92 R93 D99 V123 | A31-L95 HydrophobicContact CB-CD1 3.33Å; V33-L95 CarbonylContact C-O 3.54Å; V33-L95 WeakPolarHBondContact CA-O 3.29Å; G34-L95 PolarHBondContact N-O 3.17Å; G35-L95 PolarHBondContact O-N 3.01Å; V37-L95 HydrophobicContact CB-CD1 4.07Å; V37-L95 HydrophobicContact CG1-CD1 4.12Å; V37-L95 HydrophobicContact CG1-CD2 4.18Å; L92-L95 HydrophobicContact CB-CD2 4.4Å; L92-L95 HydrophobicContact CD2-CD2 3.48Å; L92-L95 VanDerWaalsContact CD2-CD2 3.48Å; L92-L95 HydrophobicContact CG-CD2 3.6Å; R93-L95 VanDerWaalsContact C-N 3.34Å; R93-L95 PolarHBondContact O-N 2.84Å; L95-D99 VanDerWaalsContact CA-OD2 3.28Å; L95-D99 WeakPolarHBondContact CA-OD2 3.48Å; L95-D99 HydrophobicContact CD2-CB 3.96Å; L95-V123 HydrophobicContact CB-CG1 4.11Å; L95-V123 HydrophobicContact CB-CG2 4.42Å; L95-V123 HydrophobicContact CD1-CG2 4.48Å; L95-V123 HydrophobicContact CD2-CG2 4.45Å | ||
| 96 | N | 92.3 | Very high | 90.8 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | trans | -128.8 | 169.1 | 170.5 | 69.9 | 76.3 | 0 | 0 | 0 | 109.3 | R80 N98 D99 | R80-N96 PolarHBondContact NH1-ND2 2.95Å; N96-N98 PolarHBondContact O-N 2.9Å; N96-N98 WeakPolarHBondContact OD1-CA 3.48Å; N96-N98 VanDerWaalsContact OD1-CB 3.28Å; N96-N98 WeakPolarHBondContact OD1-CB 3.33Å; N96-N98 PolarHBondContact OD1-N 2.86Å; N96-D99 PolarHBondContact N-OD2 3.21Å; N96-D99 VanDerWaalsContact ND2-CG 3.31Å; N96-D99 PolarHBondContact ND2-OD1 2.93Å; N96-D99 VanDerWaalsContact ND2-OD1 3.08Å; N96-D99 PolarHBondContact ND2-OD2 2.89Å; N96-D99 WeakPolarHBondContact O-CB 3.28Å; N96-D99 PolarHBondContact O-N 3.02Å; N96-D99 PolarHBondContact OD1-N 3.43Å | ||
| 97 | L | 91.2 | Very high | 91 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -60.9 | -30.9 | -174.8 | -67.8 | 174.9 | 0 | 0 | 0 | 113.8 | V33 D99 S100 V123 E125 | V33-L97 HydrophobicContact CG2-CD2 3.72Å; V33-L97 HydrophobicContact CG2-CG 3.93Å; L97-D99 PolarHBondContact O-N 2.87Å; L97-S100 WeakPolarHBondContact O-CB 3.36Å; L97-S100 PolarHBondContact O-N 3.09Å; L97-S100 PolarHBondContact O-OG 3.1Å; L97-V123 WeakPolarHBondContact CD2-O 3.42Å; L97-E125 HydrophobicContact CD1-CG 4.09Å; L97-E125 HydrophobicContact CD2-CG 4.02Å; L97-E125 HydrophobicContact CG-CG 4.43Å |
| 98 | N | 89.9 | Confident | 91 | Very high | 145 Ų | 145 | 42 Ų | 42 | 78% | 0.775 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -75.1 | -11.3 | 179.8 | -61.9 | -18.2 | 0 | 0 | 0 | 113 | N96 S100 | N96-N98 PolarHBondContact O-N 2.9Å; N96-N98 WeakPolarHBondContact OD1-CA 3.48Å; N96-N98 VanDerWaalsContact OD1-CB 3.28Å; N96-N98 WeakPolarHBondContact OD1-CB 3.33Å; N96-N98 PolarHBondContact OD1-N 2.86Å; N98-S100 PolarHBondContact O-N 3.46Å |
| 99 | D | 91.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -76.7 | -3.5 | 172.6 | -52.6 | -43.1 | 0 | 0 | 0 | 111.8 | R80 L92 L95 N96 L97 Y103 V123 | R80-D99 IonicContact CZ-OD1 2.99Å; R80-D99 IonicContact CZ-OD2 2.88Å; R80-D99 IonicContact NH1-OD1 3.28Å; R80-D99 IonicContact NH1-OD2 3.84Å; R80-D99 IonicContact NH2-OD1 2.94Å; R80-D99 PolarHBondContact NH2-OD1 3.14Å; R80-D99 IonicContact NH2-OD2 3.54Å; R80-D99 PolarHBondContact NH2-OD2 2.83Å; L92-D99 HydrophobicContact CD2-CB 4.28Å; L95-D99 VanDerWaalsContact CA-OD2 3.28Å; L95-D99 WeakPolarHBondContact CA-OD2 3.48Å; L95-D99 HydrophobicContact CD2-CB 3.96Å; N96-D99 PolarHBondContact N-OD2 3.21Å; N96-D99 VanDerWaalsContact ND2-CG 3.31Å; N96-D99 PolarHBondContact ND2-OD1 2.93Å; N96-D99 VanDerWaalsContact ND2-OD1 3.08Å; N96-D99 PolarHBondContact ND2-OD2 2.89Å; N96-D99 WeakPolarHBondContact O-CB 3.28Å; N96-D99 PolarHBondContact O-N 3.02Å; N96-D99 PolarHBondContact OD1-N 3.43Å; L97-D99 PolarHBondContact O-N 2.87Å; D99-Y103 WeakPolarHBondContact O-CE2 3.47Å; D99-Y103 PolarHBondContact O-OH 2.73Å; D99-V123 HydrophobicContact CB-CG2 4.3Å |
| 100 | S | 91.3 | Very high | 90.3 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | trans | -70.7 | 135.8 | 173.1 | -50 | 0 | 0 | 0 | 0 | 111 | L97 N98 V121 V123 | L97-S100 WeakPolarHBondContact O-CB 3.36Å; L97-S100 PolarHBondContact O-N 3.09Å; L97-S100 PolarHBondContact O-OG 3.1Å; N98-S100 PolarHBondContact O-N 3.46Å; S100-V121 CarbonylContact C-O 3.58Å; S100-V121 WeakPolarHBondContact CA-O 3.36Å; S100-V123 WeakPolarHBondContact OG-CB 3.09Å; S100-V123 PolarHBondContact OG-N 3.25Å | ||
| 101 | G | 90.1 | Very high | 89.5 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.2 | -171.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y103 T120 V121 | G101-Y103 VanDerWaalsContact O-CD2 3.29Å; G101-Y103 WeakPolarHBondContact O-CD2 3.34Å; G101-T120 CarbonylContact O-C 3.53Å; G101-T120 WeakPolarHBondContact O-CA 3.39Å; G101-V121 PolarHBondContact N-O 2.8Å; G101-V121 PolarHBondContact O-N 2.83Å |
| 102 | D | 90.4 | Very high | 88.7 | Confident | 78 Ų | 78 | 53 Ų | 53 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.6 | 180 | -65.5 | -39.7 | 0 | 0 | 0 | 111.1 | F57 V58 T120 | F57-D102 CarbonylContact C-O 3.24Å; F57-D102 VanDerWaalsContact CA-O 3.27Å; F57-D102 WeakPolarHBondContact CA-O 3.45Å; V58-D102 HydrophobicContact CB-CB 3.95Å; V58-D102 HydrophobicContact CG2-CB 3.68Å; V58-D102 PolarHBondContact N-O 3.13Å; D102-T120 WeakPolarHBondContact OD1-CB 3.26Å; D102-T120 WeakPolarHBondContact OD1-CG2 3.2Å; D102-T120 PolarHBondContact OD1-OG1 3.1Å |
| 103 | Y | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 142.1 | 179.3 | -72.2 | -110 | 0 | 0 | 0 | 110.4 | L39 W55 F57 I63 L92 D99 G101 N118 T119 V121 | L39-Y103 HydrophobicContact CD1-CD1 3.84Å; L39-Y103 HydrophobicContact CD1-CE1 4.2Å; L39-Y103 HydrophobicContact CD1-CG 4.38Å; L39-Y103 HydrophobicContact CD2-CG 4.44Å; W55-Y103 HydrophobicContact CE3-CD1 4.42Å; F57-Y103 HydrophobicContact CD1-CD2 4.38Å; F57-Y103 HydrophobicContact CD1-CE2 4.15Å; F57-Y103 HydrophobicContact CE1-CD2 4.04Å; F57-Y103 HydrophobicContact CE1-CE1 4.29Å; F57-Y103 AromaticContact CE1-CE2 3.39Å; F57-Y103 HydrophobicContact CE1-CE2 3.39Å; F57-Y103 AromaticContact CE1-CZ 3.55Å; F57-Y103 HydrophobicContact CE2-CE1 4.38Å; F57-Y103 HydrophobicContact CZ-CE1 4.04Å; F57-Y103 AromaticContact CZ-CE2 3.78Å; F57-Y103 HydrophobicContact CZ-CE2 3.78Å; F57-Y103 AromaticContact CZ-CZ 3.41Å; F57-Y103 VanDerWaalsContact CZ-CZ 3.41Å; F57-Y103 VanDerWaalsContact CZ-OH 3.22Å; F57-Y103 WeakPolarHBondContact CZ-OH 3.39Å; I63-Y103 HydrophobicContact CD1-CD1 3.55Å; I63-Y103 HydrophobicContact CD1-CE1 3.35Å; L92-Y103 HydrophobicContact CD2-CE1 4.46Å; D99-Y103 WeakPolarHBondContact O-CE2 3.47Å; D99-Y103 PolarHBondContact O-OH 2.73Å; G101-Y103 VanDerWaalsContact O-CD2 3.29Å; G101-Y103 WeakPolarHBondContact O-CD2 3.34Å; Y103-N118 CarbonylContact O-C 3.56Å; Y103-N118 VanDerWaalsContact O-CA 3.22Å; Y103-N118 WeakPolarHBondContact O-CA 3.39Å; Y103-T119 PolarHBondContact N-O 3.22Å; Y103-T119 PolarHBondContact O-N 2.8Å; Y103-V121 HydrophobicContact CD2-CB 3.97Å; Y103-V121 HydrophobicContact CD2-CG2 3.57Å; Y103-V121 HydrophobicContact CE2-CB 3.62Å; Y103-V121 HydrophobicContact CE2-CG2 3.58Å; Y103-V121 HydrophobicContact CG-CG2 4.31Å |
| 104 | R | 90.4 | Very high | 87.7 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.8 | 173.7 | 179.5 | 174.7 | -62.8 | 160.2 | 6.3 | 110.1 | W55 N56 V58 T116 G117 N118 | W55-R104 WeakPolarHBondContact CA-O 3.49Å; N56-R104 PolarHBondContact N-O 2.68Å; N56-R104 PolarHBondContact O-N 2.84Å; V58-R104 HydrophobicContact CG2-CB 4.06Å; R104-T116 HydrophobicContact CG-CG2 3.8Å; R104-G117 CarbonylContact C-O 3.55Å; R104-G117 WeakPolarHBondContact CA-O 3.13Å; R104-N118 WeakPolarHBondContact CB-OD1 3.25Å; R104-N118 VanDerWaalsContact CG-OD1 3.24Å; R104-N118 WeakPolarHBondContact CG-OD1 3.43Å; R104-N118 PolarHBondContact NE-OD1 2.78Å |
| 105 | V | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.5 | 166.1 | 69.2 | 0 | 0 | 0 | 0 | 109.9 | V23 L24 V53 S54 W55 I107 T116 G117 | V23-V105 HydrophobicContact CB-CG1 4.22Å; V23-V105 HydrophobicContact CG1-CG1 3.94Å; L24-V105 HydrophobicContact CD1-CB 4.48Å; L24-V105 HydrophobicContact CD1-CG1 3.87Å; L24-V105 HydrophobicContact CD2-CG1 4.48Å; L24-V105 HydrophobicContact CG-CG1 4.07Å; V53-V105 HydrophobicContact CG1-CG2 4.07Å; S54-V105 CarbonylContact O-C 3.53Å; S54-V105 WeakPolarHBondContact O-CA 3.44Å; W55-V105 HydrophobicContact CD2-CB 3.81Å; W55-V105 HydrophobicContact CD2-CG2 3.95Å; W55-V105 VanDerWaalsContact CE2-CG2 3.45Å; W55-V105 HydrophobicContact CE3-CB 3.96Å; W55-V105 HydrophobicContact CG-CG2 4.3Å; W55-V105 HydrophobicContact CH2-CB 3.77Å; W55-V105 HydrophobicContact CH2-CG1 4.25Å; W55-V105 HydrophobicContact CH2-CG2 4.45Å; W55-V105 HydrophobicContact CZ2-CB 3.59Å; W55-V105 HydrophobicContact CZ2-CG1 4.23Å; W55-V105 HydrophobicContact CZ2-CG2 3.77Å; W55-V105 HydrophobicContact CZ3-CB 3.94Å; V105-I107 HydrophobicContact CG2-CD1 4.09Å; V105-I107 HydrophobicContact CG2-CG1 3.81Å; V105-T116 VanDerWaalsContact O-CA 3.24Å; V105-T116 WeakPolarHBondContact O-CA 3.38Å; V105-G117 PolarHBondContact N-O 2.78Å; V105-G117 PolarHBondContact O-N 2.96Å |
| 106 | N | 90 | Very high | 87.3 | Confident | 46 Ų | 46 | 58 Ų | 58 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.7 | 168 | -50.6 | -78.9 | 0 | 0 | 0 | 109.4 | S54 N56 M115 T116 | S54-N106 PolarHBondContact N-O 2.84Å; S54-N106 PolarHBondContact O-N 2.79Å; N56-N106 PolarHBondContact OD1-ND2 2.83Å; N106-M115 WeakPolarHBondContact CA-O 3.15Å; N106-T116 WeakPolarHBondContact OD1-CG2 3.07Å; N106-T116 PolarHBondContact OD1-OG1 3.01Å |
| 107 | I | 89.3 | Confident | 87 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126 | -175.1 | -57.1 | 177.8 | 0 | 0 | 0 | 108.8 | V23 T41 L43 F50 V53 V105 P114 M115 | V23-I107 HydrophobicContact CG1-CD1 4.04Å; T41-I107 HydrophobicContact CG2-CD1 4.34Å; L43-I107 HydrophobicContact CD1-CD1 3.51Å; F50-I107 HydrophobicContact CB-CG2 3.89Å; F50-I107 HydrophobicContact CD1-CG2 3.83Å; F50-I107 HydrophobicContact CD2-CG2 3.78Å; F50-I107 HydrophobicContact CE1-CG2 4.3Å; F50-I107 HydrophobicContact CE2-CG2 4.27Å; F50-I107 HydrophobicContact CG-CG2 3.54Å; V53-I107 HydrophobicContact CG1-CG1 4.31Å; V53-I107 HydrophobicContact CG2-CG1 4.48Å; V53-I107 HydrophobicContact CG2-CG2 4.5Å; V105-I107 HydrophobicContact CG2-CD1 4.09Å; V105-I107 HydrophobicContact CG2-CG1 3.81Å; I107-P114 WeakPolarHBondContact O-CA 3.37Å; I107-M115 HydrophobicContact CB-CB 4.48Å; I107-M115 PolarHBondContact N-O 2.88Å; I107-M115 PolarHBondContact O-N 2.85Å |
| 108 | L | 88.4 | Confident | 86.9 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 42% | 0.424 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 119.9 | 168.5 | -73.4 | 162.4 | 0 | 0 | 0 | 108.9 | R51 S52 P114 | R51-L108 WeakPolarHBondContact CB-O 3.29Å; R51-L108 PolarHBondContact N-O 3.21Å; S52-L108 PolarHBondContact N-O 2.95Å; S52-L108 PolarHBondContact O-N 2.69Å; S52-L108 WeakPolarHBondContact OG-CB 3.36Å; S52-L108 WeakPolarHBondContact OG-CD1 3.4Å; L108-P114 HydrophobicContact CD2-CB 3.75Å |
| 109 | T | 82.1 | Confident | 86.8 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | trans | -85.9 | 167 | 174.8 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | F50 G112 | F50-T109 HydrophobicContact CD1-CG2 3.82Å; F50-T109 HydrophobicContact CE1-CG2 3.86Å; T109-G112 VanDerWaalsContact OG1-C 3.3Å; T109-G112 WeakPolarHBondContact OG1-CA 3.31Å; T109-G112 PolarHBondContact OG1-N 2.81Å; T109-G112 PolarHBondContact OG1-O 2.74Å | ||
| 110 | A | 79.4 | Confident | 86.8 | Confident | 76 Ų | 76 | 51.3 Ų | 51.3 | 63% | 0.628 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -68.8 | -33.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 111 | T | 76.3 | Confident | 86.7 | Confident | 147 Ų | 147 | 49.3 Ų | 49.3 | 90% | 0.902 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -136.3 | -3.2 | -169.5 | 52.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 112 | G | 75.3 | Confident | 86.8 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -113.3 | 174 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T109 | T109-G112 VanDerWaalsContact OG1-C 3.3Å; T109-G112 WeakPolarHBondContact OG1-CA 3.31Å; T109-G112 PolarHBondContact OG1-N 2.81Å; T109-G112 PolarHBondContact OG1-O 2.74Å |
| 113 | P | 81.4 | Confident | 86.9 | Confident | 101 Ų | 101 | 47.2 Ų | 47.2 | 66% | 0.656 | 29% | 0.287 | S | S | * | . | trans | -64 | 155.5 | 177.2 | 28.1 | -34.5 | 0 | 0 | 0 | 112 | ||||
| 114 | P | 84.8 | Confident | 87.1 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 60% | 0.597 | 29% | 0.293 | S | S | * | . | trans | -60.3 | 142.6 | 170.3 | 24.6 | -32 | 0 | 0 | 0 | 110.8 | I107 L108 | I107-P114 WeakPolarHBondContact O-CA 3.37Å; L108-P114 HydrophobicContact CD2-CB 3.75Å | ||
| 115 | M | 88.3 | Confident | 87.2 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.6 | 177.3 | -53.9 | -179.3 | 81.1 | 0 | 0 | 109.4 | V23 L43 N106 I107 | V23-M115 HydrophobicContact CG2-CB 3.95Å; V23-M115 HydrophobicContact CG2-CE 4.35Å; L43-M115 HydrophobicContact CD1-SD 4.41Å; L43-M115 HydrophobicContact CD2-CE 3.68Å; L43-M115 HydrophobicContact CD2-SD 4.03Å; N106-M115 WeakPolarHBondContact CA-O 3.15Å; I107-M115 HydrophobicContact CB-CB 4.48Å; I107-M115 PolarHBondContact N-O 2.88Å; I107-M115 PolarHBondContact O-N 2.85Å |
| 116 | T | 88.4 | Confident | 87.3 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.3 | 179.2 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | R104 V105 N106 | R104-T116 HydrophobicContact CG-CG2 3.8Å; V105-T116 VanDerWaalsContact O-CA 3.24Å; V105-T116 WeakPolarHBondContact O-CA 3.38Å; N106-T116 WeakPolarHBondContact OD1-CG2 3.07Å; N106-T116 PolarHBondContact OD1-OG1 3.01Å |
| 117 | G | 87.6 | Confident | 87.5 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R104 V105 | R104-G117 CarbonylContact C-O 3.55Å; R104-G117 WeakPolarHBondContact CA-O 3.13Å; V105-G117 PolarHBondContact N-O 2.78Å; V105-G117 PolarHBondContact O-N 2.96Å |
| 118 | N | 88.1 | Confident | 87.8 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149 | 174.3 | -58.8 | -28.3 | 0 | 0 | 0 | 110 | Y103 R104 | Y103-N118 CarbonylContact O-C 3.56Å; Y103-N118 VanDerWaalsContact O-CA 3.22Å; Y103-N118 WeakPolarHBondContact O-CA 3.39Å; R104-N118 WeakPolarHBondContact CB-OD1 3.25Å; R104-N118 VanDerWaalsContact CG-OD1 3.24Å; R104-N118 WeakPolarHBondContact CG-OD1 3.43Å; R104-N118 PolarHBondContact NE-OD1 2.78Å |
| 119 | T | 88.9 | Confident | 88 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.049 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 160.8 | 171.1 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | L24 G27 L39 Y103 | L24-T119 HydrophobicContact CD1-CG2 3.7Å; G27-T119 PolarHBondContact O-OG1 3.47Å; L39-T119 HydrophobicContact CD2-CG2 3.33Å; Y103-T119 PolarHBondContact N-O 3.22Å; Y103-T119 PolarHBondContact O-N 2.8Å |
| 120 | T | 89.8 | Confident | 88.7 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 147.2 | 177.2 | -51.6 | 0 | 0 | 0 | 0 | 108.5 | P28 L29 G101 D102 | P28-T120 CarbonylContact C-O 3.54Å; P28-T120 VanDerWaalsContact CA-O 3.23Å; P28-T120 WeakPolarHBondContact CA-O 3.5Å; P28-T120 HydrophobicContact CB-CG2 4.09Å; L29-T120 PolarHBondContact N-O 3.03Å; G101-T120 CarbonylContact O-C 3.53Å; G101-T120 WeakPolarHBondContact O-CA 3.39Å; D102-T120 WeakPolarHBondContact OD1-CB 3.26Å; D102-T120 WeakPolarHBondContact OD1-CG2 3.2Å; D102-T120 PolarHBondContact OD1-OG1 3.1Å |
| 121 | V | 90.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.9 | 169.5 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | L29 V37 L39 S100 G101 Y103 V123 | L29-V121 HydrophobicContact CB-CG2 4.38Å; L29-V121 WeakPolarHBondContact O-CA 3.45Å; V37-V121 HydrophobicContact CG1-CG1 4.27Å; L39-V121 HydrophobicContact CD2-CG2 3.83Å; S100-V121 CarbonylContact C-O 3.58Å; S100-V121 WeakPolarHBondContact CA-O 3.36Å; G101-V121 PolarHBondContact N-O 2.8Å; G101-V121 PolarHBondContact O-N 2.83Å; Y103-V121 HydrophobicContact CD2-CB 3.97Å; Y103-V121 HydrophobicContact CD2-CG2 3.57Å; Y103-V121 HydrophobicContact CE2-CB 3.62Å; Y103-V121 HydrophobicContact CE2-CG2 3.58Å; Y103-V121 HydrophobicContact CG-CG2 4.31Å; V121-V123 HydrophobicContact CG1-CG2 4.09Å |
| 122 | D | 91.6 | Very high | 90.4 | Very high | 48 Ų | 48 | 48 Ų | 48 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.1 | 174.4 | -70 | -38.2 | 0 | 0 | 0 | 109.2 | P28 L29 N30 A31 Y124 | P28-D122 VanDerWaalsContact CB-OD2 3.26Å; P28-D122 WeakPolarHBondContact CB-OD2 3.31Å; L29-D122 PolarHBondContact O-N 2.82Å; N30-D122 WeakPolarHBondContact CA-O 3.16Å; A31-D122 PolarHBondContact N-O 3.28Å; D122-Y124 HydrophobicContact CB-CD2 4.49Å; D122-Y124 HydrophobicContact CB-CE2 3.56Å; D122-Y124 WeakPolarHBondContact CB-OH 3.24Å |
| 123 | V | 92.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.7 | 178.7 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | A31 V33 L95 L97 D99 S100 V121 | A31-V123 WeakPolarHBondContact O-CA 3.46Å; V33-V123 HydrophobicContact CG2-CG1 3.87Å; L95-V123 HydrophobicContact CB-CG1 4.11Å; L95-V123 HydrophobicContact CB-CG2 4.42Å; L95-V123 HydrophobicContact CD1-CG2 4.48Å; L95-V123 HydrophobicContact CD2-CG2 4.45Å; L97-V123 WeakPolarHBondContact CD2-O 3.42Å; D99-V123 HydrophobicContact CB-CG2 4.3Å; S100-V123 WeakPolarHBondContact OG-CB 3.09Å; S100-V123 PolarHBondContact OG-N 3.25Å; V121-V123 HydrophobicContact CG1-CG2 4.09Å |
| 124 | Y | 93.9 | Very high | 92.1 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 13% | 0.125 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 145.4 | -178.2 | -57.5 | -83.5 | 0 | 0 | 0 | 112.1 | N30 A31 S32 V33 D122 S155 P205 A206 | N30-Y124 HydrophobicContact CB-CD2 4.46Å; N30-Y124 HydrophobicContact CB-CE2 4.02Å; A31-Y124 PolarHBondContact O-N 3.32Å; S32-Y124 WeakPolarHBondContact CA-O 3.42Å; V33-Y124 PolarHBondContact N-O 2.85Å; D122-Y124 HydrophobicContact CB-CD2 4.49Å; D122-Y124 HydrophobicContact CB-CE2 3.56Å; D122-Y124 WeakPolarHBondContact CB-OH 3.24Å; Y124-S155 WeakPolarHBondContact CA-OG 3.33Å; Y124-P205 HydrophobicContact CD2-CB 4.18Å; Y124-P205 HydrophobicContact CD2-CG 4.45Å; Y124-P205 HydrophobicContact CE1-CG 4.11Å; Y124-P205 HydrophobicContact CE2-CB 3.65Å; Y124-P205 HydrophobicContact CE2-CG 3.83Å; Y124-A206 HydrophobicContact CD2-CB 4.14Å |
| 125 | E | 93.6 | Very high | 92.4 | Very high | 90 Ų | 90 | 48 Ų | 48 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 128.6 | 163.6 | -63.9 | -170.2 | 154 | 0 | 0 | 109.4 | V33 L97 S155 N204 | V33-E125 HydrophobicContact CG2-CG 4.36Å; L97-E125 HydrophobicContact CD1-CG 4.09Å; L97-E125 HydrophobicContact CD2-CG 4.02Å; L97-E125 HydrophobicContact CG-CG 4.43Å; E125-S155 PolarHBondContact N-OG 2.87Å; E125-S155 PolarHBondContact O-N 3.48Å; E125-N204 PolarHBondContact O-ND2 3.44Å |
| 126 | P | 92.8 | Very high | 92.6 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 147.6 | -176.1 | 27.8 | -34.6 | 0 | 0 | 0 | 112.1 | S128 S207 | P126-S128 PolarHBondContact O-N 2.87Å; P126-S207 WeakPolarHBondContact CA-OG 3.41Å |
| 127 | V | 95.1 | Very high | 92.8 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 125.8 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | V130 S153 L157 V202 N204 S207 | V127-V130 HydrophobicContact CG1-CG2 3.69Å; V127-S153 WeakPolarHBondContact CA-O 3.32Å; V127-L157 HydrophobicContact CG2-CD2 3.78Å; V127-V202 HydrophobicContact CG1-CB 3.91Å; V127-V202 HydrophobicContact CG1-CG1 3.85Å; V127-V202 HydrophobicContact CG2-CG1 4.37Å; V127-N204 HydrophobicContact CG2-CB 4.3Å; V127-S207 PolarHBondContact N-OG 3.15Å |
| 128 | S | 94.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 53.6 Ų | 53.6 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 167.7 | 175.8 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | P126 V130 S152 S153 | P126-S128 PolarHBondContact O-N 2.87Å; S128-V130 VanDerWaalsContact C-N 3.31Å; S128-V130 PolarHBondContact O-N 2.94Å; S128-S152 PolarHBondContact O-OG 2.86Å; S128-S153 PolarHBondContact N-O 2.96Å; S128-S153 PolarHBondContact O-N 2.85Å |
| 129 | N | 94.2 | Very high | 93.4 | Very high | 111 Ų | 111 | 51.4 Ų | 51.4 | 59% | 0.594 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 43.5 | 176.5 | -56.6 | -40 | 0 | 0 | 0 | 114.2 | I131 S151 | N129-I131 PolarHBondContact O-N 3.09Å; N129-S151 VanDerWaalsContact O-O 3.12Å |
| 130 | V | 96.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 110.6 | 177.3 | -167.5 | 0 | 0 | 0 | 0 | 109.3 | V127 S128 S151 V202 | V127-V130 HydrophobicContact CG1-CG2 3.69Å; S128-V130 VanDerWaalsContact C-N 3.31Å; S128-V130 PolarHBondContact O-N 2.94Å; V130-S151 WeakPolarHBondContact CA-O 3.41Å; V130-V202 HydrophobicContact CG1-CB 4.34Å; V130-V202 HydrophobicContact CG1-CG2 3.56Å; V130-V202 HydrophobicContact CG2-CB 4.14Å; V130-V202 HydrophobicContact CG2-CG2 4.21Å |
| 131 | I | 95 | Very high | 93.9 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 45% | 0.451 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.5 | -174.7 | -62.2 | 166.4 | 0 | 0 | 0 | 109.2 | N129 C150 S151 | N129-I131 PolarHBondContact O-N 3.09Å; I131-C150 WeakPolarHBondContact O-CA 3.47Å; I131-S151 PolarHBondContact N-O 3.22Å; I131-S151 PolarHBondContact O-N 2.57Å |
| 132 | V | 96.9 | Very high | 94 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.5 | 168.8 | 173.1 | 0 | 0 | 0 | 0 | 110 | F148 S149 C150 W161 C200 S211 A214 | V132-F148 HydrophobicContact CG1-CB 4.24Å; V132-F148 HydrophobicContact CG1-CD1 4.29Å; V132-S149 CarbonylContact C-O 3.6Å; V132-S149 WeakPolarHBondContact CA-O 3.41Å; V132-C150 HydrophobicContact CG2-CB 4.12Å; V132-W161 HydrophobicContact CG1-CH2 3.92Å; V132-W161 HydrophobicContact CG1-CZ3 3.91Å; V132-W161 HydrophobicContact CG2-CH2 3.84Å; V132-W161 HydrophobicContact CG2-CZ3 3.8Å; V132-C200 HydrophobicContact CG2-CB 3.44Å; V132-C200 VanDerWaalsContact CG2-CB 3.44Å; V132-S211 WeakPolarHBondContact CG2-OG 3.19Å; V132-A214 HydrophobicContact CB-CB 4.39Å; V132-A214 HydrophobicContact CG1-CB 3.53Å |
| 133 | S | 94.9 | Very high | 93.7 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.9 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | S149 | S133-S149 PolarHBondContact N-O 2.83Å; S133-S149 PolarHBondContact O-N 2.01Å |
| 134 | P | 95.5 | Very high | 93.4 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 29% | 0.286 | 34% | 0.338 | S | S | . | . | cis | -73.4 | 158 | -7.2 | 31.4 | -35.6 | 0 | 0 | 0 | 112.3 | L137 A214 | P134-L137 HydrophobicContact CB-CD2 4.37Å; P134-L137 HydrophobicContact CB-CG 4.36Å; P134-L137 HydrophobicContact CG-CD1 3.5Å; P134-L137 VanDerWaalsContact CG-CD1 3.5Å; P134-L137 HydrophobicContact CG-CD2 3.71Å; P134-L137 HydrophobicContact CG-CG 3.52Å; P134-A214 WeakPolarHBondContact O-CB 3.5Å | ||
| 135 | Q | 92.3 | Very high | 93.4 | Very high | 110 Ų | 110 | 63.1 Ų | 63.1 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -80.3 | -28.5 | -178.6 | -170.9 | 174.4 | 20.5 | 0 | 0 | 113.5 | N212 Q213 A214 N215 | Q135-N212 PolarHBondContact NE2-ND2 3.1Å; Q135-Q213 WeakPolarHBondContact CG-O 3.39Å; Q135-A214 CarbonylContact O-C 3.56Å; Q135-A214 WeakPolarHBondContact O-CA 3.4Å; Q135-N215 PolarHBondContact O-N 2.87Å |
| 136 | I | 91.9 | Very high | 93.4 | Very high | 103 Ų | 103 | 59.1 Ų | 59.1 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 132.7 | 179.2 | -59.1 | 176.3 | 0 | 0 | 0 | 108 | N215 F217 | I136-N215 WeakPolarHBondContact CA-O 3.3Å; I136-F217 HydrophobicContact CG2-CD2 4Å; I136-F217 HydrophobicContact CG2-CE2 3.88Å |
| 137 | L | 92.6 | Very high | 93.5 | Very high | 43 Ų | 43 | 58.3 Ų | 58.3 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.8 | 169.8 | -72.6 | 175.8 | 0 | 0 | 0 | 109.8 | P134 V146 F148 N215 L216 F217 | P134-L137 HydrophobicContact CB-CD2 4.37Å; P134-L137 HydrophobicContact CB-CG 4.36Å; P134-L137 HydrophobicContact CG-CD1 3.5Å; P134-L137 VanDerWaalsContact CG-CD1 3.5Å; P134-L137 HydrophobicContact CG-CD2 3.71Å; P134-L137 HydrophobicContact CG-CG 3.52Å; L137-V146 HydrophobicContact CD1-CG2 3.13Å; L137-V146 HydrophobicContact CG-CG2 4.48Å; L137-F148 HydrophobicContact CD1-CE1 3.9Å; L137-F148 HydrophobicContact CD1-CZ 4.08Å; L137-F148 HydrophobicContact CG-CE1 4.47Å; L137-N215 PolarHBondContact N-O 2.85Å; L137-L216 HydrophobicContact CB-CD1 3.98Å; L137-F217 PolarHBondContact O-N 2.81Å |
| 138 | D | 93.5 | Very high | 93.6 | Very high | 89 Ų | 89 | 57.5 Ų | 57.5 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 113 | 178.8 | -174.5 | 8.8 | 0 | 0 | 0 | 108.1 | K293 | D138-K293 WeakPolarHBondContact OD1-CE 3.41Å; D138-K293 IonicContact OD1-NZ 2.69Å; D138-K293 PolarHBondContact OD1-NZ 3.18Å; D138-K293 WeakPolarHBondContact OD2-CE 3.09Å; D138-K293 IonicContact OD2-NZ 3.88Å; D138-K293 PolarHBondContact OD2-NZ 3.02Å |
| 139 | L | 94.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 162.7 | -172.1 | -65.7 | 178.8 | 0 | 0 | 0 | 111.2 | V146 V190 L216 F217 I218 S219 | L139-V146 HydrophobicContact CD1-CB 3.81Å; L139-V146 HydrophobicContact CD1-CG2 3.98Å; L139-V190 HydrophobicContact CD1-CG1 4.48Å; L139-V190 HydrophobicContact CD1-CG2 4.34Å; L139-L216 HydrophobicContact CD1-CD1 4.08Å; L139-L216 HydrophobicContact CG-CD1 4.48Å; L139-F217 PolarHBondContact N-O 3.21Å; L139-I218 WeakPolarHBondContact O-CA 3.23Å; L139-S219 PolarHBondContact O-N 2.86Å |
| 140 | I | 94.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 33% | 0.333 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 142 | 171.8 | -64.2 | 170.3 | 0 | 0 | 0 | 107.9 | F142 S143 S219 T294 | I140-F142 PolarHBondContact O-N 2.9Å; I140-S143 WeakPolarHBondContact O-CB 3.27Å; I140-S143 PolarHBondContact O-N 3.49Å; I140-S143 PolarHBondContact O-OG 2.88Å; I140-S219 CarbonylContact C-O 3.6Å; I140-S219 WeakPolarHBondContact CA-O 3.25Å; I140-T294 HydrophobicContact CG1-CG2 4.42Å; I140-T294 HydrophobicContact CG2-CG2 3.92Å |
| 141 | E | 95.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 134.4 | 176.5 | -160.2 | 176.1 | -139.1 | 0 | 0 | 111.2 | S143 R192 I218 S219 Y220 | E141-S143 PolarHBondContact O-N 2.78Å; E141-R192 WeakPolarHBondContact OE1-CB 3.29Å; E141-R192 WeakPolarHBondContact OE1-CG 3.33Å; E141-R192 IonicContact OE1-CZ 3.91Å; E141-R192 PolarHBondContact OE1-N 2.76Å; E141-R192 IonicContact OE1-NE 2.71Å; E141-R192 PolarHBondContact OE1-NE 3.2Å; E141-R192 IonicContact OE1-NH2 2.63Å; E141-R192 IonicContact OE2-CZ 2.68Å; E141-R192 IonicContact OE2-NE 2.86Å; E141-R192 PolarHBondContact OE2-NE 2.77Å; E141-R192 IonicContact OE2-NH2 3.06Å; E141-R192 PolarHBondContact OE2-NH2 3.12Å; E141-I218 HydrophobicContact CB-CG2 4.15Å; E141-S219 PolarHBondContact N-O 2.83Å; E141-Y220 WeakPolarHBondContact OE2-CB 3.22Å |
| 142 | F | 90.8 | Very high | 93.8 | Very high | 132 Ų | 132 | 51 Ų | 51 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 13.5 | -175.6 | -45 | -63.4 | 0 | 0 | 0 | 116 | I140 G144 V190 T191 | I140-F142 PolarHBondContact O-N 2.9Å; F142-G144 PolarHBondContact O-N 3.24Å; F142-V190 PolarHBondContact N-O 2.99Å; F142-T191 HydrophobicContact CE1-CG2 3.98Å |
| 143 | S | 86.4 | Confident | 93.7 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -70.6 | -11.1 | 177.6 | 75.3 | 0 | 0 | 0 | 0 | 114.1 | I140 E141 | I140-S143 WeakPolarHBondContact O-CB 3.27Å; I140-S143 PolarHBondContact O-N 3.49Å; I140-S143 PolarHBondContact O-OG 2.88Å; E141-S143 PolarHBondContact O-N 2.78Å |
| 144 | G | 86.8 | Confident | 93.6 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 24% | 0.237 | 31% | 0.305 | C | S | . | . | trans | 143.4 | -145.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | F142 N189 V190 | F142-G144 PolarHBondContact O-N 3.24Å; G144-N189 WeakPolarHBondContact O-CA 3.48Å; G144-N189 PolarHBondContact O-N 3.06Å; G144-N189 VanDerWaalsContact O-N 3.17Å; G144-V190 PolarHBondContact O-N 2.66Å | ||
| 145 | S | 92.9 | Very high | 93.4 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | trans | -107.6 | 151 | -179.4 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | I187 V188 | S145-I187 CarbonylContact C-O 3.55Å; S145-I187 WeakPolarHBondContact CA-O 3.15Å; S145-I187 WeakPolarHBondContact CB-O 2.9Å; S145-V188 WeakPolarHBondContact OG-CA 2.92Å | ||
| 146 | V | 94.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 150.3 | 172.9 | 69.3 | 0 | 0 | 0 | 0 | 110.8 | L137 L139 F148 T186 I187 V190 L216 | L137-V146 HydrophobicContact CD1-CG2 3.13Å; L137-V146 HydrophobicContact CG-CG2 4.48Å; L139-V146 HydrophobicContact CD1-CB 3.81Å; L139-V146 HydrophobicContact CD1-CG2 3.98Å; V146-F148 HydrophobicContact CG1-CE2 4.41Å; V146-F148 HydrophobicContact CG2-CE2 4.3Å; V146-F148 HydrophobicContact CG2-CZ 4.35Å; V146-T186 CarbonylContact O-C 3.57Å; V146-T186 VanDerWaalsContact O-CA 3.25Å; V146-T186 WeakPolarHBondContact O-CA 3.38Å; V146-T186 WeakPolarHBondContact O-CG2 3.37Å; V146-I187 HydrophobicContact CG1-CB 3.86Å; V146-I187 HydrophobicContact CG1-CD1 4.32Å; V146-I187 HydrophobicContact CG1-CG1 4.33Å; V146-I187 PolarHBondContact N-O 2.81Å; V146-I187 PolarHBondContact O-N 2.88Å; V146-V190 HydrophobicContact CB-CG1 4.07Å; V146-V190 HydrophobicContact CG1-CG1 3.65Å; V146-L216 HydrophobicContact CG1-CD2 3.96Å; V146-L216 HydrophobicContact CG2-CD1 4.35Å |
| 147 | S | 95.1 | Very high | 93.4 | Very high | 41 Ų | 41 | 46 Ų | 46 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.7 | 172.6 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | K184 L185 T186 | S147-K184 VanDerWaalsContact CB-CE 3.45Å; S147-K184 VanDerWaalsContact OG-CE 3.32Å; S147-K184 WeakPolarHBondContact OG-CE 3.19Å; S147-L185 CarbonylContact C-O 3.56Å; S147-L185 WeakPolarHBondContact CA-O 3.15Å; S147-T186 PolarHBondContact OG-OG1 2.96Å |
| 148 | F | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.4 | 166.1 | -61.5 | -76.5 | 0 | 0 | 0 | 109.6 | V132 L137 V146 W161 K184 L185 Y198 A214 L216 | V132-F148 HydrophobicContact CG1-CB 4.24Å; V132-F148 HydrophobicContact CG1-CD1 4.29Å; L137-F148 HydrophobicContact CD1-CE1 3.9Å; L137-F148 HydrophobicContact CD1-CZ 4.08Å; L137-F148 HydrophobicContact CG-CE1 4.47Å; V146-F148 HydrophobicContact CG1-CE2 4.41Å; V146-F148 HydrophobicContact CG2-CE2 4.3Å; V146-F148 HydrophobicContact CG2-CZ 4.35Å; F148-W161 HydrophobicContact CB-CH2 3.55Å; F148-W161 HydrophobicContact CB-CZ2 4.35Å; F148-W161 HydrophobicContact CB-CZ3 3.85Å; F148-K184 CarbonylContact O-C 3.59Å; F148-K184 WeakPolarHBondContact O-CA 3.46Å; F148-L185 HydrophobicContact CD2-CD2 4.31Å; F148-L185 PolarHBondContact N-O 2.8Å; F148-L185 PolarHBondContact O-N 2.87Å; F148-Y198 HydrophobicContact CE2-CD2 4.03Å; F148-Y198 HydrophobicContact CE2-CE2 4.43Å; F148-Y198 HydrophobicContact CE2-CG 4.23Å; F148-Y198 HydrophobicContact CZ-CD2 4.38Å; F148-A214 HydrophobicContact CD1-CB 3.97Å; F148-A214 HydrophobicContact CE1-CB 3.9Å; F148-L216 HydrophobicContact CE2-CD2 4.35Å; F148-L216 HydrophobicContact CZ-CB 4.04Å |
| 149 | S | 96.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.6 | 174.3 | -63.4 | 0 | 0 | 0 | 0 | 109.3 | V132 S133 S183 | V132-S149 CarbonylContact C-O 3.6Å; V132-S149 WeakPolarHBondContact CA-O 3.41Å; S133-S149 PolarHBondContact N-O 2.83Å; S133-S149 PolarHBondContact O-N 2.01Å; S149-S183 CarbonylContact C-O 3.49Å |
| 150 | C | 96.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.7 | 174 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | I131 V132 F159 W161 G182 S183 C200 | I131-C150 WeakPolarHBondContact O-CA 3.47Å; V132-C150 HydrophobicContact CG2-CB 4.12Å; C150-F159 HydrophobicContact CB-CD1 4.49Å; C150-W161 HydrophobicContact CB-CH2 3.71Å; C150-W161 HydrophobicContact CB-CZ2 3.46Å; C150-W161 VanDerWaalsContact CB-CZ2 3.46Å; C150-G182 CarbonylContact O-C 3.44Å; C150-G182 WeakPolarHBondContact O-CA 3.39Å; C150-S183 PolarHBondContact N-O 2.85Å; C150-S183 PolarHBondContact O-N 3.42Å; C150-C200 HydrophobicContact CB-CB 3.55Å; C150-C200 WeakPolarHBondContact CB-SG 3.4Å; C150-C200 WeakPolarHBondContact SG-CB 3.33Å; C150-C200 CovalentContact SG-SG 2.03Å; C150-C200 PolarHBondContact SG-SG 2.96Å |
| 151 | S | 95.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.9 | 176 | 57.5 | 0 | 0 | 0 | 0 | 109.9 | N129 V130 I131 | N129-S151 VanDerWaalsContact O-O 3.12Å; V130-S151 WeakPolarHBondContact CA-O 3.41Å; I131-S151 PolarHBondContact N-O 3.22Å; I131-S151 PolarHBondContact O-N 2.57Å |
| 152 | S | 95.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 152.8 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | S128 G181 | S128-S152 PolarHBondContact O-OG 2.86Å; S152-G181 PolarHBondContact N-O 2.86Å |
| 153 | S | 94.3 | Very high | 94.1 | Very high | 56 Ų | 56 | 38 Ų | 38 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144.5 | 170.2 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | V127 S128 | V127-S153 WeakPolarHBondContact CA-O 3.32Å; S128-S153 PolarHBondContact N-O 2.96Å; S128-S153 PolarHBondContact O-N 2.85Å |
| 154 | G | 92.3 | Very high | 94.3 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 137 | 179.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 155 | S | 91.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -111.9 | 147.8 | -177.9 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | Y124 E125 L157 N204 | Y124-S155 WeakPolarHBondContact CA-OG 3.33Å; E125-S155 PolarHBondContact N-OG 2.87Å; E125-S155 PolarHBondContact O-N 3.48Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-L157 PolarHBondContact O-N 3.13Å; S155-N204 WeakPolarHBondContact O-CB 3.39Å; S155-N204 PolarHBondContact O-ND2 2.71Å; S155-N204 VanDerWaalsContact O-ND2 3.11Å |
| 156 | S | 91.2 | Very high | 94.6 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 60% | 0.601 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 53.7 | 47.5 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 157 | L | 93.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | trans | -75.8 | 137.5 | -173.4 | -58.2 | -179.3 | 0 | 0 | 0 | 112.2 | V127 S155 F159 V202 N204 | V127-L157 HydrophobicContact CG2-CD2 3.78Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-L157 PolarHBondContact O-N 3.13Å; L157-F159 HydrophobicContact CB-CD2 4.46Å; L157-F159 HydrophobicContact CB-CE2 3.67Å; L157-F159 HydrophobicContact CB-CZ 4.01Å; L157-F159 HydrophobicContact CD1-CE2 4.43Å; L157-F159 HydrophobicContact CD1-CZ 3.98Å; L157-V202 HydrophobicContact CB-CG1 4.13Å; L157-V202 HydrophobicContact CD1-CG1 4.35Å; L157-V202 HydrophobicContact CD2-CG1 4Å; L157-V202 HydrophobicContact CG-CG1 4.4Å; L157-N204 HydrophobicContact CD2-CB 4.42Å | ||
| 158 | S | 94.4 | Very high | 94.7 | Very high | 73 Ų | 73 | 47 Ų | 47 | 51% | 0.51 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.4 | 169 | -63 | 0 | 0 | 0 | 0 | 109.5 | V202 S203 | S158-V202 WeakPolarHBondContact O-CA 3.22Å; S158-S203 PolarHBondContact N-O 3.47Å; S158-S203 PolarHBondContact O-N 2.84Å |
| 159 | F | 95.9 | Very high | 94.5 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.5 | -175.1 | -65 | -97.2 | 0 | 0 | 0 | 111.1 | C150 L157 G182 V202 | C150-F159 HydrophobicContact CB-CD1 4.49Å; L157-F159 HydrophobicContact CB-CD2 4.46Å; L157-F159 HydrophobicContact CB-CE2 3.67Å; L157-F159 HydrophobicContact CB-CZ 4.01Å; L157-F159 HydrophobicContact CD1-CE2 4.43Å; L157-F159 HydrophobicContact CD1-CZ 3.98Å; F159-G182 VanDerWaalsContact CZ-N 3.33Å; F159-V202 HydrophobicContact CD1-CG1 4.33Å; F159-V202 HydrophobicContact CD1-CG2 3.51Å; F159-V202 HydrophobicContact CE1-CB 4.5Å; F159-V202 HydrophobicContact CE1-CG1 4.05Å; F159-V202 HydrophobicContact CE1-CG2 3.58Å; F159-V202 HydrophobicContact CG-CG2 4.42Å; F159-V202 HydrophobicContact CZ-CG1 4.26Å |
| 160 | L | 96 | Very high | 94.4 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 124.1 | 178.4 | -179.7 | 69.3 | 0 | 0 | 0 | 109.3 | M162 E167 H201 | L160-M162 HydrophobicContact CD2-SD 3.96Å; L160-M162 HydrophobicContact CG-SD 4.14Å; L160-E167 VanDerWaalsContact CD1-CD 3.4Å; L160-E167 HydrophobicContact CD1-CG 3.58Å; L160-E167 VanDerWaalsContact CD1-OE1 3.32Å; L160-E167 WeakPolarHBondContact CD1-OE1 3.36Å; L160-H201 HydrophobicContact CB-CB 4.12Å; L160-H201 HydrophobicContact CD2-CB 4.5Å; L160-H201 PolarHBondContact N-O 2.82Å; L160-H201 PolarHBondContact O-N 3.27Å |
| 161 | W | 97.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.011 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.3 | 175.9 | -74.8 | 94.7 | 0 | 0 | 0 | 110.6 | V132 F148 C150 V168 S183 L185 C200 | V132-W161 HydrophobicContact CG1-CH2 3.92Å; V132-W161 HydrophobicContact CG1-CZ3 3.91Å; V132-W161 HydrophobicContact CG2-CH2 3.84Å; V132-W161 HydrophobicContact CG2-CZ3 3.8Å; F148-W161 HydrophobicContact CB-CH2 3.55Å; F148-W161 HydrophobicContact CB-CZ2 4.35Å; F148-W161 HydrophobicContact CB-CZ3 3.85Å; C150-W161 HydrophobicContact CB-CH2 3.71Å; C150-W161 HydrophobicContact CB-CZ2 3.46Å; C150-W161 VanDerWaalsContact CB-CZ2 3.46Å; W161-V168 HydrophobicContact CB-CB 3.94Å; W161-V168 HydrophobicContact CB-CG2 4.23Å; W161-V168 PolarHBondContact O-N 2.89Å; W161-S183 PolarHBondContact NE1-OG 2.89Å; W161-L185 HydrophobicContact CB-CD2 4.3Å; W161-L185 HydrophobicContact CD2-CB 3.72Å; W161-L185 HydrophobicContact CD2-CD2 3.93Å; W161-L185 HydrophobicContact CD2-CG 4.44Å; W161-L185 HydrophobicContact CE3-CB 4.25Å; W161-L185 HydrophobicContact CE3-CD2 3.9Å; W161-L185 HydrophobicContact CG-CB 4.03Å; W161-L185 HydrophobicContact CG-CD2 4.12Å; W161-L185 HydrophobicContact CH2-CB 4.41Å; W161-L185 HydrophobicContact CZ2-CB 3.92Å; W161-C200 HydrophobicContact CD2-CB 4.49Å; W161-C200 HydrophobicContact CE3-CB 4.2Å; W161-C200 HydrophobicContact CH2-CB 4.3Å; W161-C200 HydrophobicContact CZ3-CB 4.1Å |
| 162 | M | 97.2 | Very high | 94.2 | Very high | 24 Ų | 24 | 59.9 Ų | 59.9 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.5 | 177.3 | -59.6 | -62.3 | -68.2 | 0 | 0 | 109.1 | L160 S165 S166 E167 Y198 S199 H201 | L160-M162 HydrophobicContact CD2-SD 3.96Å; L160-M162 HydrophobicContact CG-SD 4.14Å; M162-S165 VanDerWaalsContact CE-C 3.47Å; M162-S165 WeakPolarHBondContact CE-O 3.5Å; M162-S166 CarbonylContact C-O 3.59Å; M162-S166 WeakPolarHBondContact CA-O 3.37Å; M162-E167 HydrophobicContact SD-CB 4.15Å; M162-Y198 CarbonylContact O-C 3.5Å; M162-Y198 VanDerWaalsContact O-CA 3.27Å; M162-Y198 WeakPolarHBondContact O-CA 3.47Å; M162-S199 PolarHBondContact N-O 2.66Å; M162-S199 PolarHBondContact O-N 3.42Å; M162-H201 VanDerWaalsContact CG-CD2 3.45Å; M162-H201 WeakPolarHBondContact CG-CD2 3.42Å; M162-H201 WeakPolarHBondContact CG-NE2 3.26Å |
| 163 | N | 95.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 63.9 Ų | 63.9 | 20% | 0.198 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 110.4 | 161.4 | 179.1 | -3.8 | 0 | 0 | 0 | 107.1 | S165 S166 V168 Y198 | N163-S165 PolarHBondContact O-N 2.87Å; N163-S166 PolarHBondContact N-O 3.01Å; N163-S166 PolarHBondContact O-N 3.43Å; N163-V168 HydrophobicContact CB-CG2 3.83Å; N163-Y198 HydrophobicContact CB-CD1 4.12Å; N163-Y198 HydrophobicContact CB-CE1 3.84Å |
| 164 | S | 91 | Very high | 94.2 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 57% | 0.566 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | -106 | -171.8 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | S197 | S164-S197 PolarHBondContact N-O 2.75Š|
| 165 | S | 90.7 | Very high | 94.4 | Very high | 107 Ų | 107 | 65.3 Ų | 65.3 | 75% | 0.748 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -2.8 | 177.5 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | M162 N163 | M162-S165 VanDerWaalsContact CE-C 3.47Å; M162-S165 WeakPolarHBondContact CE-O 3.5Å; N163-S165 PolarHBondContact O-N 2.87Å |
| 166 | S | 94.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 66.4 Ų | 66.4 | 52% | 0.517 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.6 | -172.3 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | M162 N163 V168 | M162-S166 CarbonylContact C-O 3.59Å; M162-S166 WeakPolarHBondContact CA-O 3.37Å; N163-S166 PolarHBondContact N-O 3.01Å; N163-S166 PolarHBondContact O-N 3.43Å; S166-V168 PolarHBondContact O-N 2.85Å |
| 167 | E | 95.9 | Very high | 94.8 | Very high | 120 Ų | 120 | 66.7 Ų | 66.7 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 133.4 | 173.3 | 178 | 174.8 | 171.4 | 0 | 0 | 110.9 | L160 M162 T169 | L160-E167 VanDerWaalsContact CD1-CD 3.4Å; L160-E167 HydrophobicContact CD1-CG 3.58Å; L160-E167 VanDerWaalsContact CD1-OE1 3.32Å; L160-E167 WeakPolarHBondContact CD1-OE1 3.36Å; M162-E167 HydrophobicContact SD-CB 4.15Å; E167-T169 HydrophobicContact CG-CG2 4.42Å |
| 168 | V | 95.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 69.8 Ų | 69.8 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | trans | -86.8 | 113.6 | 173.8 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | W161 N163 S166 V174 I176 L185 Y198 | W161-V168 HydrophobicContact CB-CB 3.94Å; W161-V168 HydrophobicContact CB-CG2 4.23Å; W161-V168 PolarHBondContact O-N 2.89Å; N163-V168 HydrophobicContact CB-CG2 3.83Å; S166-V168 PolarHBondContact O-N 2.85Å; V168-V174 HydrophobicContact CG1-CG1 3.71Å; V168-I176 HydrophobicContact CG1-CD1 4.4Å; V168-I176 VanDerWaalsContact O-CD1 3.25Å; V168-I176 WeakPolarHBondContact O-CD1 3.23Å; V168-L185 HydrophobicContact CG1-CD1 3.85Å; V168-L185 HydrophobicContact CG1-CD2 4.38Å; V168-Y198 HydrophobicContact CG2-CD1 4.25Å; V168-Y198 HydrophobicContact CG2-CE1 4.1Å | ||
| 169 | T | 94 | Very high | 94.2 | Very high | 93 Ų | 93 | 70.5 Ų | 70.5 | 57% | 0.571 | 40% | 0.402 | S | S | * | . | trans | -98 | 145.5 | 178.5 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | E167 | E167-T169 HydrophobicContact CG-CG2 4.42Š| ||
| 170 | A | 93.7 | Very high | 93.3 | Very high | 73 Ų | 73 | 77.7 Ų | 77.7 | 60% | 0.603 | 44% | 0.442 | S | S | * | . | trans | -61.7 | 141.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | V174 | A170-V174 CarbonylContact C-O 3.58Å; A170-V174 VanDerWaalsContact CA-O 3.32Å; A170-V174 WeakPolarHBondContact CA-O 3.28Å | ||
| 171 | S | 94.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 76.6 Ų | 76.6 | 43% | 0.427 | 45% | 0.445 | S | S | . | . | trans | -153.3 | -178.4 | 178 | 66.3 | 0 | 0 | 0 | 0 | 110 | R173 V174 | S171-R173 PolarHBondContact O-N 2.94Å; S171-V174 PolarHBondContact N-O 2.92Å; S171-V174 CarbonylContact O-C 3.59Å; S171-V174 PolarHBondContact O-N 3.17Å; S171-V174 VanDerWaalsContact O-N 3.17Å; S171-V174 WeakPolarHBondContact OG-CB 3.43Å; S171-V174 PolarHBondContact OG-N 3.43Å | ||
| 172 | D | 92.3 | Very high | 92.3 | Very high | 165 Ų | 165 | 76.7 Ų | 76.7 | 88% | 0.882 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -57 | -34.6 | 177.1 | -64.3 | -17.2 | 0 | 0 | 0 | 112.8 | ||
| 173 | R | 94.6 | Very high | 92.3 | Very high | 98 Ų | 98 | 75.8 Ų | 75.8 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -90.8 | -25.9 | 176.5 | -64.1 | -167.9 | -58.2 | 123.6 | 4.3 | 113.4 | S171 V188 D194 | S171-R173 PolarHBondContact O-N 2.94Å; R173-V188 PolarHBondContact O-N 2.91Å; R173-D194 IonicContact NH1-OD1 3.41Å; R173-D194 IonicContact NH1-OD2 3.96Å; R173-D194 PolarHBondContact NH1-OD2 2.94Å; R173-D194 VanDerWaalsContact NH1-OD2 3.08Å; R173-D194 IonicContact NH2-OD1 3.71Å |
| 174 | V | 96.6 | Very high | 92.3 | Very high | 14 Ų | 14 | 78.3 Ų | 78.3 | 9% | 0.085 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111.3 | -171.3 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | V168 A170 S171 I176 L185 T186 | V168-V174 HydrophobicContact CG1-CG1 3.71Å; A170-V174 CarbonylContact C-O 3.58Å; A170-V174 VanDerWaalsContact CA-O 3.32Å; A170-V174 WeakPolarHBondContact CA-O 3.28Å; S171-V174 PolarHBondContact N-O 2.92Å; S171-V174 CarbonylContact O-C 3.59Å; S171-V174 PolarHBondContact O-N 3.17Å; S171-V174 VanDerWaalsContact O-N 3.17Å; S171-V174 WeakPolarHBondContact OG-CB 3.43Å; S171-V174 PolarHBondContact OG-N 3.43Å; V174-I176 HydrophobicContact CG1-CG1 4.48Å; V174-L185 HydrophobicContact CG1-CD1 3.56Å; V174-T186 CarbonylContact C-O 3.54Å; V174-T186 WeakPolarHBondContact CA-O 3.46Å |
| 175 | Q | 96.5 | Very high | 92.6 | Very high | 97 Ų | 97 | 74.5 Ų | 74.5 | 45% | 0.453 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.1 | -179 | -61.1 | -179.8 | -14.2 | 0 | 0 | 110 | L185 T186 | Q175-L185 CarbonylContact O-C 3.59Å; Q175-T186 PolarHBondContact N-O 3Å; Q175-T186 PolarHBondContact O-N 2.98Å |
| 176 | I | 96.8 | Very high | 92.9 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120 | 175.9 | -58 | 173.9 | 0 | 0 | 0 | 107.8 | V168 V174 K184 L185 | V168-I176 HydrophobicContact CG1-CD1 4.4Å; V168-I176 VanDerWaalsContact O-CD1 3.25Å; V168-I176 WeakPolarHBondContact O-CD1 3.23Å; V174-I176 HydrophobicContact CG1-CG1 4.48Å; I176-K184 WeakPolarHBondContact CA-O 3.43Å; I176-L185 HydrophobicContact CD1-CD1 4.42Å; I176-L185 HydrophobicContact CG1-CD1 3.85Å |
| 177 | I | 94.8 | Very high | 93 | Very high | 93 Ų | 93 | 66.7 Ų | 66.7 | 48% | 0.477 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 113.6 | -179.2 | -57 | 174.7 | 0 | 0 | 0 | 107.8 | S183 K184 | I177-S183 CarbonylContact O-C 3.55Å; I177-S183 WeakPolarHBondContact O-CA 3.46Å; I177-K184 PolarHBondContact N-O 2.93Å; I177-K184 PolarHBondContact O-N 2.82Å |
| 178 | N | 92.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 136.8 | 174.8 | -64.5 | -22.1 | 0 | 0 | 0 | 109.6 | S183 | N178-S183 WeakPolarHBondContact OD1-CB 3.36Å; N178-S183 PolarHBondContact OD1-OG 2.69Å |
| 179 | T | 83.6 | Confident | 92.8 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 53% | 0.534 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 165.5 | 176.3 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | G181 G182 | T179-G181 PolarHBondContact O-N 3.06Å; T179-G182 PolarHBondContact N-O 2.86Å; T179-G182 PolarHBondContact O-N 2.71Å; T179-G182 PolarHBondContact OG1-O 3.29Å |
| 180 | D | 76.9 | Confident | 92.8 | Very high | 176 Ų | 176 | 62 Ų | 62 | 94% | 0.941 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 111.2 | 173.6 | -62.9 | -24 | 0 | 0 | 0 | 109.7 | ||
| 181 | G | 79.3 | Confident | 92.9 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 7.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | S152 T179 | S152-G181 PolarHBondContact N-O 2.86Å; T179-G181 PolarHBondContact O-N 3.06Å |
| 182 | G | 93.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | C150 F159 T179 | C150-G182 CarbonylContact O-C 3.44Å; C150-G182 WeakPolarHBondContact O-CA 3.39Å; F159-G182 VanDerWaalsContact CZ-N 3.33Å; T179-G182 PolarHBondContact N-O 2.86Å; T179-G182 PolarHBondContact O-N 2.71Å; T179-G182 PolarHBondContact OG1-O 3.29Å |
| 183 | S | 96.4 | Very high | 93 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 143.5 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | S149 C150 W161 I177 N178 | S149-S183 CarbonylContact C-O 3.49Å; C150-S183 PolarHBondContact N-O 2.85Å; C150-S183 PolarHBondContact O-N 3.42Å; W161-S183 PolarHBondContact NE1-OG 2.89Å; I177-S183 CarbonylContact O-C 3.55Å; I177-S183 WeakPolarHBondContact O-CA 3.46Å; N178-S183 WeakPolarHBondContact OD1-CB 3.36Å; N178-S183 PolarHBondContact OD1-OG 2.69Å |
| 184 | K | 96.4 | Very high | 93 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 120 | 176.3 | -172.6 | 179.8 | 179.6 | -176.6 | 0 | 110 | S147 F148 I176 I177 | S147-K184 VanDerWaalsContact CB-CE 3.45Å; S147-K184 VanDerWaalsContact OG-CE 3.32Å; S147-K184 WeakPolarHBondContact OG-CE 3.19Å; F148-K184 CarbonylContact O-C 3.59Å; F148-K184 WeakPolarHBondContact O-CA 3.46Å; I176-K184 WeakPolarHBondContact CA-O 3.43Å; I177-K184 PolarHBondContact N-O 2.93Å; I177-K184 PolarHBondContact O-N 2.82Å |
| 185 | L | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.8 | 170.8 | 169.7 | 63 | 0 | 0 | 0 | 108.8 | S147 F148 W161 V168 V174 Q175 I176 I187 Y198 | S147-L185 CarbonylContact C-O 3.56Å; S147-L185 WeakPolarHBondContact CA-O 3.15Å; F148-L185 HydrophobicContact CD2-CD2 4.31Å; F148-L185 PolarHBondContact N-O 2.8Å; F148-L185 PolarHBondContact O-N 2.87Å; W161-L185 HydrophobicContact CB-CD2 4.3Å; W161-L185 HydrophobicContact CD2-CB 3.72Å; W161-L185 HydrophobicContact CD2-CD2 3.93Å; W161-L185 HydrophobicContact CD2-CG 4.44Å; W161-L185 HydrophobicContact CE3-CB 4.25Å; W161-L185 HydrophobicContact CE3-CD2 3.9Å; W161-L185 HydrophobicContact CG-CB 4.03Å; W161-L185 HydrophobicContact CG-CD2 4.12Å; W161-L185 HydrophobicContact CH2-CB 4.41Å; W161-L185 HydrophobicContact CZ2-CB 3.92Å; V168-L185 HydrophobicContact CG1-CD1 3.85Å; V168-L185 HydrophobicContact CG1-CD2 4.38Å; V174-L185 HydrophobicContact CG1-CD1 3.56Å; Q175-L185 CarbonylContact O-C 3.59Å; I176-L185 HydrophobicContact CD1-CD1 4.42Å; I176-L185 HydrophobicContact CG1-CD1 3.85Å; L185-I187 HydrophobicContact CD1-CG1 4.38Å; L185-I187 HydrophobicContact CG-CG1 4.46Å; L185-Y198 HydrophobicContact CD2-CD1 3.64Å; L185-Y198 HydrophobicContact CD2-CE1 3.93Å |
| 186 | T | 96.4 | Very high | 92.9 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.1 | 174.4 | -58 | 0 | 0 | 0 | 0 | 110 | V146 S147 V174 Q175 V188 | V146-T186 CarbonylContact O-C 3.57Å; V146-T186 VanDerWaalsContact O-CA 3.25Å; V146-T186 WeakPolarHBondContact O-CA 3.38Å; V146-T186 WeakPolarHBondContact O-CG2 3.37Å; S147-T186 PolarHBondContact OG-OG1 2.96Å; V174-T186 CarbonylContact C-O 3.54Å; V174-T186 WeakPolarHBondContact CA-O 3.46Å; Q175-T186 PolarHBondContact N-O 3Å; Q175-T186 PolarHBondContact O-N 2.98Å; T186-V188 HydrophobicContact CG2-CG2 4.38Å |
| 187 | I | 96.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115 | 176 | -52.9 | 172.4 | 0 | 0 | 0 | 107.2 | S145 V146 L185 V190 D194 Y198 | S145-I187 CarbonylContact C-O 3.55Å; S145-I187 WeakPolarHBondContact CA-O 3.15Å; S145-I187 WeakPolarHBondContact CB-O 2.9Å; V146-I187 HydrophobicContact CG1-CB 3.86Å; V146-I187 HydrophobicContact CG1-CD1 4.32Å; V146-I187 HydrophobicContact CG1-CG1 4.33Å; V146-I187 PolarHBondContact N-O 2.81Å; V146-I187 PolarHBondContact O-N 2.88Å; L185-I187 HydrophobicContact CD1-CG1 4.38Å; L185-I187 HydrophobicContact CG-CG1 4.46Å; I187-V190 HydrophobicContact CG2-CG1 4.34Å; I187-D194 HydrophobicContact CG2-CB 4.49Å; I187-Y198 HydrophobicContact CD1-CE1 3.96Å; I187-Y198 VanDerWaalsContact CD1-OH 3.3Å; I187-Y198 WeakPolarHBondContact CD1-OH 3.43Å |
| 188 | V | 94.4 | Very high | 93 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 24% | 0.242 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -88.2 | 134.5 | -178.7 | -179.3 | 0 | 0 | 0 | 0 | 110 | S145 R173 T186 | S145-V188 WeakPolarHBondContact OG-CA 2.92Å; R173-V188 PolarHBondContact O-N 2.91Å; T186-V188 HydrophobicContact CG2-CG2 4.38Å |
| 189 | N | 92.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 49% | 0.492 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 52.5 | 73.4 | -178.5 | -64 | -19 | 0 | 0 | 0 | 111.5 | G144 | G144-N189 WeakPolarHBondContact O-CA 3.48Å; G144-N189 PolarHBondContact O-N 3.06Å; G144-N189 VanDerWaalsContact O-N 3.17Å |
| 190 | V | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -58.3 | 136.7 | -178.3 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | L139 F142 G144 V146 I187 I218 | L139-V190 HydrophobicContact CD1-CG1 4.48Å; L139-V190 HydrophobicContact CD1-CG2 4.34Å; F142-V190 PolarHBondContact N-O 2.99Å; G144-V190 PolarHBondContact O-N 2.66Å; V146-V190 HydrophobicContact CB-CG1 4.07Å; V146-V190 HydrophobicContact CG1-CG1 3.65Å; I187-V190 HydrophobicContact CG2-CG1 4.34Å; V190-I218 HydrophobicContact CB-CD1 4.04Å | ||
| 191 | T | 95.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 35 Ų | 35 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | trans | -119.7 | 160.8 | 178.3 | 66.3 | 0 | 0 | 0 | 0 | 109.8 | F142 Y193 D194 I218 | F142-T191 HydrophobicContact CE1-CG2 3.98Å; T191-Y193 PolarHBondContact O-N 3.04Å; T191-D194 PolarHBondContact N-OD2 3Å; T191-D194 WeakPolarHBondContact O-CB 3.34Å; T191-D194 PolarHBondContact O-N 2.82Å; T191-D194 PolarHBondContact OG1-OD2 3.32Å; T191-I218 WeakPolarHBondContact O-CD1 3.16Å | ||
| 192 | R | 95.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -56.6 | -18.3 | 177.3 | 71.1 | -171.1 | 70.2 | 166 | 6.1 | 114.8 | E141 D194 D195 Y220 E223 D249 | E141-R192 WeakPolarHBondContact OE1-CB 3.29Å; E141-R192 WeakPolarHBondContact OE1-CG 3.33Å; E141-R192 IonicContact OE1-CZ 3.91Å; E141-R192 PolarHBondContact OE1-N 2.76Å; E141-R192 IonicContact OE1-NE 2.71Å; E141-R192 PolarHBondContact OE1-NE 3.2Å; E141-R192 IonicContact OE1-NH2 2.63Å; E141-R192 IonicContact OE2-CZ 2.68Å; E141-R192 IonicContact OE2-NE 2.86Å; E141-R192 PolarHBondContact OE2-NE 2.77Å; E141-R192 IonicContact OE2-NH2 3.06Å; E141-R192 PolarHBondContact OE2-NH2 3.12Å; R192-D194 VanDerWaalsContact C-N 3.31Å; R192-D195 WeakPolarHBondContact O-CB 3.42Å; R192-Y220 HydrophobicContact CB-CD1 3.48Å; R192-Y220 VanDerWaalsContact CB-CD1 3.48Å; R192-Y220 HydrophobicContact CB-CE1 3.84Å; R192-Y220 HydrophobicContact CB-CG 4.14Å; R192-Y220 HydrophobicContact CG-CD1 4.34Å; R192-Y220 HydrophobicContact CG-CE1 4.43Å; R192-E223 IonicContact CZ-OE2 3.22Å; R192-E223 VanDerWaalsContact CZ-OE2 3.28Å; R192-E223 IonicContact NH1-OE2 3.68Å; R192-E223 PolarHBondContact NH1-OE2 3.44Å; R192-E223 IonicContact NH2-OE1 3.58Å; R192-E223 PolarHBondContact NH2-OE1 2.95Å; R192-E223 IonicContact NH2-OE2 3.96Å; R192-E223 PolarHBondContact NH2-OE2 3.14Å; R192-D249 IonicContact NH1-OD2 3.29Å; R192-D249 PolarHBondContact NH1-OD2 2.94Å |
| 193 | Y | 93.8 | Very high | 95.8 | Very high | 192 Ų | 192 | 35.5 Ų | 35.5 | 75% | 0.753 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -82.3 | -8.1 | 176.6 | -53.4 | -70.5 | 0 | 0 | 0 | 114 | T191 D195 | T191-Y193 PolarHBondContact O-N 3.04Å; Y193-D195 VanDerWaalsContact C-N 3.34Å |
| 194 | D | 94.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 36 Ų | 36 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -90.1 | -2 | 173.1 | -53.4 | -59.1 | 0 | 0 | 0 | 111.4 | R173 I187 T191 R192 G196 Y198 L216 I218 | R173-D194 IonicContact NH1-OD1 3.41Å; R173-D194 IonicContact NH1-OD2 3.96Å; R173-D194 PolarHBondContact NH1-OD2 2.94Å; R173-D194 VanDerWaalsContact NH1-OD2 3.08Å; R173-D194 IonicContact NH2-OD1 3.71Å; I187-D194 HydrophobicContact CG2-CB 4.49Å; T191-D194 PolarHBondContact N-OD2 3Å; T191-D194 WeakPolarHBondContact O-CB 3.34Å; T191-D194 PolarHBondContact O-N 2.82Å; T191-D194 PolarHBondContact OG1-OD2 3.32Å; R192-D194 VanDerWaalsContact C-N 3.31Å; D194-G196 PolarHBondContact O-N 2.79Å; D194-Y198 PolarHBondContact O-OH 3.26Å; D194-L216 HydrophobicContact CB-CD2 4.49Å; D194-L216 WeakPolarHBondContact O-CD2 3.35Å; D194-I218 HydrophobicContact CB-CD1 3.78Å |
| 195 | D | 95.2 | Very high | 95.5 | Very high | 63 Ų | 63 | 34.8 Ų | 34.8 | 34% | 0.337 | 19% | 0.186 | S | C | . | . | trans | -63.7 | 131.5 | 174.9 | -170.3 | -70.6 | 0 | 0 | 0 | 110.5 | R192 Y193 L216 F217 I218 | R192-D195 WeakPolarHBondContact O-CB 3.42Å; Y193-D195 VanDerWaalsContact C-N 3.34Å; D195-L216 WeakPolarHBondContact CA-O 3.28Å; D195-F217 WeakPolarHBondContact OD2-CA 3.34Å; D195-I218 HydrophobicContact CB-CB 4.3Å; D195-I218 HydrophobicContact CB-CG1 4.41Å; D195-I218 PolarHBondContact OD2-N 3.39Å | ||
| 196 | G | 94.9 | Very high | 95.1 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -174.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D194 L216 | D194-G196 PolarHBondContact O-N 2.79Å; G196-L216 PolarHBondContact N-O 3.28Å; G196-L216 PolarHBondContact O-N 2.88Å |
| 197 | S | 96.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 112.6 | -178 | -62 | 0 | 0 | 0 | 0 | 110.7 | S164 A214 N215 | S164-S197 PolarHBondContact N-O 2.75Å; S197-A214 CarbonylContact C-O 3.48Å; S197-N215 WeakPolarHBondContact CB-OD1 3.46Å; S197-N215 PolarHBondContact OG-OD1 3.22Å |
| 198 | Y | 97.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 141.1 | 178.8 | -67.8 | -97 | 0 | 0 | 0 | 111 | F148 M162 N163 V168 L185 I187 D194 Q213 A214 L216 | F148-Y198 HydrophobicContact CE2-CD2 4.03Å; F148-Y198 HydrophobicContact CE2-CE2 4.43Å; F148-Y198 HydrophobicContact CE2-CG 4.23Å; F148-Y198 HydrophobicContact CZ-CD2 4.38Å; M162-Y198 CarbonylContact O-C 3.5Å; M162-Y198 VanDerWaalsContact O-CA 3.27Å; M162-Y198 WeakPolarHBondContact O-CA 3.47Å; N163-Y198 HydrophobicContact CB-CD1 4.12Å; N163-Y198 HydrophobicContact CB-CE1 3.84Å; V168-Y198 HydrophobicContact CG2-CD1 4.25Å; V168-Y198 HydrophobicContact CG2-CE1 4.1Å; L185-Y198 HydrophobicContact CD2-CD1 3.64Å; L185-Y198 HydrophobicContact CD2-CE1 3.93Å; I187-Y198 HydrophobicContact CD1-CE1 3.96Å; I187-Y198 VanDerWaalsContact CD1-OH 3.3Å; I187-Y198 WeakPolarHBondContact CD1-OH 3.43Å; D194-Y198 PolarHBondContact O-OH 3.26Å; Y198-Q213 CarbonylContact O-C 3.59Å; Y198-Q213 WeakPolarHBondContact O-CA 3.27Å; Y198-A214 PolarHBondContact N-O 3.27Å; Y198-A214 PolarHBondContact O-N 3.09Å; Y198-L216 HydrophobicContact CD2-CB 4.19Å; Y198-L216 HydrophobicContact CE2-CB 3.92Å; Y198-L216 HydrophobicContact CE2-CD2 4.05Å |
| 199 | S | 97.4 | Very high | 95 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 155.6 | 172.1 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | M162 | M162-S199 PolarHBondContact N-O 2.66Å; M162-S199 PolarHBondContact O-N 3.42Å |
| 200 | C | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.7 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | V132 C150 W161 S211 | V132-C200 HydrophobicContact CG2-CB 3.44Å; V132-C200 VanDerWaalsContact CG2-CB 3.44Å; C150-C200 HydrophobicContact CB-CB 3.55Å; C150-C200 WeakPolarHBondContact CB-SG 3.4Å; C150-C200 WeakPolarHBondContact SG-CB 3.33Å; C150-C200 CovalentContact SG-SG 2.03Å; C150-C200 PolarHBondContact SG-SG 2.96Å; W161-C200 HydrophobicContact CD2-CB 4.49Å; W161-C200 HydrophobicContact CE3-CB 4.2Å; W161-C200 HydrophobicContact CH2-CB 4.3Å; W161-C200 HydrophobicContact CZ3-CB 4.1Å; C200-S211 PolarHBondContact N-OG 2.82Å; C200-S211 PolarHBondContact O-N 3.05Å |
| 201 | H | 96.9 | Very high | 95.3 | Very high | 61 Ų | 61 | 41 Ų | 41 | 28% | 0.282 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.4 | 176.4 | -71.5 | -140.7 | 0 | 0 | 0 | 107.5 | L160 M162 | L160-H201 HydrophobicContact CB-CB 4.12Å; L160-H201 HydrophobicContact CD2-CB 4.5Å; L160-H201 PolarHBondContact N-O 2.82Å; L160-H201 PolarHBondContact O-N 3.27Å; M162-H201 VanDerWaalsContact CG-CD2 3.45Å; M162-H201 WeakPolarHBondContact CG-CD2 3.42Å; M162-H201 WeakPolarHBondContact CG-NE2 3.26Å |
| 202 | V | 97 | Very high | 95.2 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.4 | -177.5 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | V127 V130 L157 S158 F159 S208 G209 | V127-V202 HydrophobicContact CG1-CB 3.91Å; V127-V202 HydrophobicContact CG1-CG1 3.85Å; V127-V202 HydrophobicContact CG2-CG1 4.37Å; V130-V202 HydrophobicContact CG1-CB 4.34Å; V130-V202 HydrophobicContact CG1-CG2 3.56Å; V130-V202 HydrophobicContact CG2-CB 4.14Å; V130-V202 HydrophobicContact CG2-CG2 4.21Å; L157-V202 HydrophobicContact CB-CG1 4.13Å; L157-V202 HydrophobicContact CD1-CG1 4.35Å; L157-V202 HydrophobicContact CD2-CG1 4Å; L157-V202 HydrophobicContact CG-CG1 4.4Å; S158-V202 WeakPolarHBondContact O-CA 3.22Å; F159-V202 HydrophobicContact CD1-CG1 4.33Å; F159-V202 HydrophobicContact CD1-CG2 3.51Å; F159-V202 HydrophobicContact CE1-CB 4.5Å; F159-V202 HydrophobicContact CE1-CG1 4.05Å; F159-V202 HydrophobicContact CE1-CG2 3.58Å; F159-V202 HydrophobicContact CG-CG2 4.42Å; F159-V202 HydrophobicContact CZ-CG1 4.26Å; V202-S208 CarbonylContact O-C 3.59Å; V202-S208 VanDerWaalsContact O-CA 3.29Å; V202-S208 WeakPolarHBondContact O-CA 3.18Å; V202-G209 PolarHBondContact N-O 2.88Å; V202-G209 PolarHBondContact O-N 3.02Å; V202-G209 VanDerWaalsContact O-O 3.13Å |
| 203 | S | 95.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 47 Ų | 47 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152.5 | 179.1 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | S158 S207 | S158-S203 PolarHBondContact N-O 3.47Å; S158-S203 PolarHBondContact O-N 2.84Å; S203-S207 WeakPolarHBondContact CA-O 3.34Å |
| 204 | N | 93.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 174.1 | 161.1 | 70.8 | 4.7 | 0 | 0 | 0 | 108.4 | E125 V127 S155 L157 A206 S207 | E125-N204 PolarHBondContact O-ND2 3.44Å; V127-N204 HydrophobicContact CG2-CB 4.3Å; S155-N204 WeakPolarHBondContact O-CB 3.39Å; S155-N204 PolarHBondContact O-ND2 2.71Å; S155-N204 VanDerWaalsContact O-ND2 3.11Å; L157-N204 HydrophobicContact CD2-CB 4.42Å; N204-A206 PolarHBondContact O-N 2.83Å; N204-A206 PolarHBondContact OD1-N 3.45Å; N204-S207 PolarHBondContact N-O 2.87Å; N204-S207 PolarHBondContact O-N 2.84Å; N204-S207 PolarHBondContact OD1-N 2.86Å; N204-S207 PolarHBondContact OD1-O 2.8Å; N204-S207 PolarHBondContact OD1-OG 3.1Å |
| 205 | P | 92.5 | Very high | 95.3 | Very high | 67 Ų | 67 | 39.2 Ų | 39.2 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.7 | -174.5 | -25.2 | 36.2 | 0 | 0 | 0 | 115.2 | N30 Y124 | N30-P205 HydrophobicContact CB-CB 4.02Å; N30-P205 WeakPolarHBondContact ND2-CB 3.04Å; Y124-P205 HydrophobicContact CD2-CB 4.18Å; Y124-P205 HydrophobicContact CD2-CG 4.45Å; Y124-P205 HydrophobicContact CE1-CG 4.11Å; Y124-P205 HydrophobicContact CE2-CB 3.65Å; Y124-P205 HydrophobicContact CE2-CG 3.83Å |
| 206 | A | 89.3 | Confident | 95.4 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -22.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y124 N204 | Y124-A206 HydrophobicContact CD2-CB 4.14Å; N204-A206 PolarHBondContact O-N 2.83Å; N204-A206 PolarHBondContact OD1-N 3.45Å |
| 207 | S | 93.4 | Very high | 95.4 | Very high | 32 Ų | 32 | 40 Ų | 40 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 164.6 | -169.4 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | P126 V127 S203 N204 | P126-S207 WeakPolarHBondContact CA-OG 3.41Å; V127-S207 PolarHBondContact N-OG 3.15Å; S203-S207 WeakPolarHBondContact CA-O 3.34Å; N204-S207 PolarHBondContact N-O 2.87Å; N204-S207 PolarHBondContact O-N 2.84Å; N204-S207 PolarHBondContact OD1-N 2.86Å; N204-S207 PolarHBondContact OD1-O 2.8Å; N204-S207 PolarHBondContact OD1-OG 3.1Å |
| 208 | S | 96.3 | Very high | 95.4 | Very high | 97 Ų | 97 | 38.6 Ų | 38.6 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.7 | 176.8 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | V202 | V202-S208 CarbonylContact O-C 3.59Å; V202-S208 VanDerWaalsContact O-CA 3.29Å; V202-S208 WeakPolarHBondContact O-CA 3.18Å |
| 209 | G | 96.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 19% | 0.186 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V202 | V202-G209 PolarHBondContact N-O 2.88Å; V202-G209 PolarHBondContact O-N 3.02Å; V202-G209 VanDerWaalsContact O-O 3.13Å |
| 210 | V | 96.9 | Very high | 95.4 | Very high | 85 Ų | 85 | 39.8 Ų | 39.8 | 52% | 0.515 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.4 | 179.2 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 211 | S | 96.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 167.8 | 177 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | V132 C200 | V132-S211 WeakPolarHBondContact CG2-OG 3.19Å; C200-S211 PolarHBondContact N-OG 2.82Å; C200-S211 PolarHBondContact O-N 3.05Å |
| 212 | N | 91.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 158.4 | 156.2 | 61.5 | -57.4 | 0 | 0 | 0 | 111.2 | Q135 | Q135-N212 PolarHBondContact NE2-ND2 3.1Š|
| 213 | Q | 94.8 | Very high | 95.3 | Very high | 120 Ų | 120 | 41.3 Ų | 41.3 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -75 | 136.4 | 174.5 | -67 | 174.9 | 3 | 0 | 0 | 110.7 | Q135 Y198 | Q135-Q213 WeakPolarHBondContact CG-O 3.39Å; Y198-Q213 CarbonylContact O-C 3.59Å; Y198-Q213 WeakPolarHBondContact O-CA 3.27Å |
| 214 | A | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V132 P134 Q135 F148 S197 Y198 | V132-A214 HydrophobicContact CB-CB 4.39Å; V132-A214 HydrophobicContact CG1-CB 3.53Å; P134-A214 WeakPolarHBondContact O-CB 3.5Å; Q135-A214 CarbonylContact O-C 3.56Å; Q135-A214 WeakPolarHBondContact O-CA 3.4Å; F148-A214 HydrophobicContact CD1-CB 3.97Å; F148-A214 HydrophobicContact CE1-CB 3.9Å; S197-A214 CarbonylContact C-O 3.48Å; Y198-A214 PolarHBondContact N-O 3.27Å; Y198-A214 PolarHBondContact O-N 3.09Å |
| 215 | N | 96.6 | Very high | 95.6 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 23% | 0.225 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.9 | -174.3 | -64.4 | -29.4 | 0 | 0 | 0 | 110.9 | Q135 I136 L137 S197 F217 | Q135-N215 PolarHBondContact O-N 2.87Å; I136-N215 WeakPolarHBondContact CA-O 3.3Å; L137-N215 PolarHBondContact N-O 2.85Å; S197-N215 WeakPolarHBondContact CB-OD1 3.46Å; S197-N215 PolarHBondContact OG-OD1 3.22Å; N215-F217 HydrophobicContact CB-CD2 4.43Å; N215-F217 HydrophobicContact CB-CE2 3.71Å; N215-F217 HydrophobicContact CB-CZ 3.84Å |
| 216 | L | 95.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.3 | 170.8 | -177.9 | 53.3 | 0 | 0 | 0 | 108.9 | L137 L139 V146 F148 D194 D195 G196 Y198 I218 | L137-L216 HydrophobicContact CB-CD1 3.98Å; L139-L216 HydrophobicContact CD1-CD1 4.08Å; L139-L216 HydrophobicContact CG-CD1 4.48Å; V146-L216 HydrophobicContact CG1-CD2 3.96Å; V146-L216 HydrophobicContact CG2-CD1 4.35Å; F148-L216 HydrophobicContact CE2-CD2 4.35Å; F148-L216 HydrophobicContact CZ-CB 4.04Å; D194-L216 HydrophobicContact CB-CD2 4.49Å; D194-L216 WeakPolarHBondContact O-CD2 3.35Å; D195-L216 WeakPolarHBondContact CA-O 3.28Å; G196-L216 PolarHBondContact N-O 3.28Å; G196-L216 PolarHBondContact O-N 2.88Å; Y198-L216 HydrophobicContact CD2-CB 4.19Å; Y198-L216 HydrophobicContact CE2-CB 3.92Å; Y198-L216 HydrophobicContact CE2-CD2 4.05Å; L216-I218 HydrophobicContact CD1-CG1 4.35Å; L216-I218 HydrophobicContact CD2-CD1 4.11Å; L216-I218 HydrophobicContact CG-CD1 4.13Å; L216-I218 HydrophobicContact CG-CG1 4.02Å |
| 217 | F | 95.8 | Very high | 96.2 | Very high | 94 Ų | 94 | 46.9 Ų | 46.9 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.9 | 173.7 | -61.3 | -71.1 | 0 | 0 | 0 | 110 | I136 L137 L139 D195 N215 | I136-F217 HydrophobicContact CG2-CD2 4Å; I136-F217 HydrophobicContact CG2-CE2 3.88Å; L137-F217 PolarHBondContact O-N 2.81Å; L139-F217 PolarHBondContact N-O 3.21Å; D195-F217 WeakPolarHBondContact OD2-CA 3.34Å; N215-F217 HydrophobicContact CB-CD2 4.43Å; N215-F217 HydrophobicContact CB-CE2 3.71Å; N215-F217 HydrophobicContact CB-CZ 3.84Å |
| 218 | I | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.8 | -179.6 | -58.2 | 178.8 | 0 | 0 | 0 | 109.9 | L139 E141 V190 T191 D194 D195 L216 N251 | L139-I218 WeakPolarHBondContact O-CA 3.23Å; E141-I218 HydrophobicContact CB-CG2 4.15Å; V190-I218 HydrophobicContact CB-CD1 4.04Å; T191-I218 WeakPolarHBondContact O-CD1 3.16Å; D194-I218 HydrophobicContact CB-CD1 3.78Å; D195-I218 HydrophobicContact CB-CB 4.3Å; D195-I218 HydrophobicContact CB-CG1 4.41Å; D195-I218 PolarHBondContact OD2-N 3.39Å; L216-I218 HydrophobicContact CD1-CG1 4.35Å; L216-I218 HydrophobicContact CD2-CD1 4.11Å; L216-I218 HydrophobicContact CG-CD1 4.13Å; L216-I218 HydrophobicContact CG-CG1 4.02Å; I218-N251 PolarHBondContact O-ND2 3.24Å |
| 219 | S | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.9 | 175.4 | -54 | 0 | 0 | 0 | 0 | 110.2 | L139 I140 E141 N251 K293 | L139-S219 PolarHBondContact O-N 2.86Å; I140-S219 CarbonylContact C-O 3.6Å; I140-S219 WeakPolarHBondContact CA-O 3.25Å; E141-S219 PolarHBondContact N-O 2.83Å; S219-N251 CarbonylContact C-O 3.56Å; S219-N251 VanDerWaalsContact CA-O 3.26Å; S219-N251 WeakPolarHBondContact CA-O 3.27Å; S219-N251 WeakPolarHBondContact CB-O 3.02Å; S219-K293 VanDerWaalsContact OG-CD 3.24Å; S219-K293 WeakPolarHBondContact OG-CD 3.43Å; S219-K293 WeakPolarHBondContact OG-CE 3.31Å; S219-K293 PolarHBondContact OG-NZ 3.18Å |
| 220 | Y | 97 | Very high | 96.5 | Very high | 37 Ų | 37 | 48 Ų | 48 | 15% | 0.145 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.4 | -178.5 | 61 | -93 | 0 | 0 | 0 | 110.5 | E141 R192 D249 N251 N291 | E141-Y220 WeakPolarHBondContact OE2-CB 3.22Å; R192-Y220 HydrophobicContact CB-CD1 3.48Å; R192-Y220 VanDerWaalsContact CB-CD1 3.48Å; R192-Y220 HydrophobicContact CB-CE1 3.84Å; R192-Y220 HydrophobicContact CB-CG 4.14Å; R192-Y220 HydrophobicContact CG-CD1 4.34Å; R192-Y220 HydrophobicContact CG-CE1 4.43Å; Y220-D249 VanDerWaalsContact CE2-OD1 3.26Å; Y220-D249 WeakPolarHBondContact CE2-OD1 2.98Å; Y220-D249 PolarHBondContact OH-OD1 2.66Å; Y220-N251 HydrophobicContact CD1-CB 3.64Å; Y220-N251 HydrophobicContact CE1-CB 3.23Å; Y220-N251 HydrophobicContact CE2-CB 4.36Å; Y220-N251 HydrophobicContact CG-CB 4.35Å; Y220-N251 PolarHBondContact N-O 2.84Å; Y220-N251 PolarHBondContact O-N 2.94Å; Y220-N291 PolarHBondContact O-ND2 3.25Å |
| 221 | G | 96.5 | Very high | 96.5 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 171.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | E223 T294 | G221-E223 PolarHBondContact O-N 2.83Å; G221-T294 WeakPolarHBondContact CA-OG1 3.43Å |
| 222 | P | 97.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 125.5 | 179.9 | 27.9 | -30.8 | 0 | 0 | 0 | 111.1 | V225 A248 D249 A254 A289 L296 Q298 | P222-V225 HydrophobicContact CB-CG2 4.47Å; P222-A248 HydrophobicContact CB-CB 3.97Å; P222-D249 CarbonylContact C-O 3.53Å; P222-D249 VanDerWaalsContact CA-O 3.3Å; P222-D249 WeakPolarHBondContact CA-O 3.31Å; P222-A254 HydrophobicContact CB-CB 4.17Å; P222-A289 HydrophobicContact CB-CB 3.63Å; P222-A289 HydrophobicContact CG-CB 4.1Å; P222-A289 WeakPolarHBondContact CG-O 3.35Å; P222-L296 WeakPolarHBondContact CD-O 3.16Å; P222-Q298 HydrophobicContact CG-CB 4.49Å; P222-Q298 PolarHBondContact O-OE1 3.31Å; P222-Q298 VanDerWaalsContact O-OE1 3.11Å |
| 223 | E | 96.1 | Very high | 96.5 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 168.4 | 168.9 | -74.2 | -179.7 | 166.4 | 0 | 0 | 110.5 | R192 G221 V225 D249 | R192-E223 IonicContact CZ-OE2 3.22Å; R192-E223 VanDerWaalsContact CZ-OE2 3.28Å; R192-E223 IonicContact NH1-OE2 3.68Å; R192-E223 PolarHBondContact NH1-OE2 3.44Å; R192-E223 IonicContact NH2-OE1 3.58Å; R192-E223 PolarHBondContact NH2-OE1 2.95Å; R192-E223 IonicContact NH2-OE2 3.96Å; R192-E223 PolarHBondContact NH2-OE2 3.14Å; G221-E223 PolarHBondContact O-N 2.83Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 PolarHBondContact O-N 3.46Å; E223-D249 PolarHBondContact N-O 3.48Å; E223-D249 PolarHBondContact O-N 2.91Å |
| 224 | L | 96.1 | Very high | 96.4 | Very high | 125 Ų | 125 | 55.9 Ų | 55.9 | 65% | 0.654 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.1 | 48 | 176.1 | -59.6 | 176.1 | 0 | 0 | 0 | 112.8 | E226 | L224-E226 PolarHBondContact O-N 2.92Å; L224-E226 VanDerWaalsContact O-N 3.09Å |
| 225 | V | 98.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 59.2 Ų | 59.2 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 106.9 | -179.4 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | P222 E223 S247 A248 A289 Q298 | P222-V225 HydrophobicContact CB-CG2 4.47Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 PolarHBondContact O-N 3.46Å; V225-S247 CarbonylContact C-O 3.41Å; V225-S247 VanDerWaalsContact CA-O 3.27Å; V225-S247 WeakPolarHBondContact CA-O 3.38Å; V225-A248 HydrophobicContact CG2-CB 3.93Å; V225-A289 HydrophobicContact CG1-CB 4.15Å; V225-A289 HydrophobicContact CG2-CB 3.87Å; V225-Q298 HydrophobicContact CB-CG 4.42Å; V225-Q298 HydrophobicContact CG2-CB 3.61Å; V225-Q298 HydrophobicContact CG2-CG 3.7Å |
| 226 | E | 97.6 | Very high | 96.3 | Very high | 115 Ų | 115 | 57.4 Ų | 57.4 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.7 | -176.8 | -71 | -174.2 | 174.4 | 0 | 0 | 111.2 | L224 C246 S247 | L224-E226 PolarHBondContact O-N 2.92Å; L224-E226 VanDerWaalsContact O-N 3.09Å; E226-C246 VanDerWaalsContact O-CA 3.31Å; E226-C246 WeakPolarHBondContact O-CA 3.49Å; E226-S247 PolarHBondContact N-O 2.92Å; E226-S247 PolarHBondContact O-N 2.81Å |
| 227 | L | 98.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.1 | 174.3 | 173.8 | 60.5 | 0 | 0 | 0 | 109.1 | L244 W258 Y285 | L227-L244 HydrophobicContact CD1-CB 4.03Å; L227-L244 HydrophobicContact CD1-CD2 4.23Å; L227-L244 HydrophobicContact CD2-CD2 4.49Å; L227-W258 HydrophobicContact CD1-CH2 3.52Å; L227-W258 HydrophobicContact CD1-CZ3 3.47Å; L227-W258 VanDerWaalsContact CD1-CZ3 3.47Å; L227-Y285 VanDerWaalsContact CD2-O 3.29Å; L227-Y285 WeakPolarHBondContact CD2-O 3.34Å |
| 228 | T | 97.6 | Very high | 96 | Very high | 67 Ų | 67 | 59 Ų | 59 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148.9 | 178.2 | 58 | 0 | 0 | 0 | 0 | 110.7 | L244 S245 | T228-L244 CarbonylContact O-C 3.47Å; T228-L244 WeakPolarHBondContact O-CA 3.42Å; T228-S245 PolarHBondContact N-O 2.72Å; T228-S245 PolarHBondContact O-N 2.99Å; T228-S245 PolarHBondContact OG1-O 3.43Å |
| 229 | V | 97.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 13% | 0.127 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.7 | -178.5 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | Y236 I242 L244 S303 I305 | V229-Y236 WeakPolarHBondContact CG1-OH 3.12Å; V229-I242 HydrophobicContact CG1-CG2 3.5Å; V229-I242 VanDerWaalsContact CG1-CG2 3.5Å; V229-L244 HydrophobicContact CG2-CD2 4.19Å; V229-L244 HydrophobicContact CG2-CG 4.28Å; V229-S303 WeakPolarHBondContact CG2-OG 3.26Å; V229-I305 HydrophobicContact CB-CD1 4.46Å; V229-I305 HydrophobicContact CG1-CD1 3.73Å; V229-I305 HydrophobicContact CG2-CD1 3.94Å |
| 230 | V | 96.4 | Very high | 95.7 | Very high | 83 Ų | 83 | 62 Ų | 62 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.5 | -176.7 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | T243 | V230-T243 PolarHBondContact N-O 2.92Å; V230-T243 PolarHBondContact O-N 3.27Å |
| 231 | P | 96.4 | Very high | 95.7 | Very high | 56 Ų | 56 | 64.9 Ų | 64.9 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | S | Bend | cis | -71.8 | 147 | -6.4 | 30.8 | -33.9 | 0 | 0 | 0 | 111.5 | Q233 Y236 | P231-Q233 PolarHBondContact O-N 2.98Å; P231-Y236 HydrophobicContact CG-CE1 4.28Å; P231-Y236 VanDerWaalsContact O-CE1 3.23Å; P231-Y236 WeakPolarHBondContact O-CE1 3.29Å; P231-Y236 PolarHBondContact O-OH 3.09Å |
| 232 | P | 94.8 | Very high | 95.7 | Very high | 114 Ų | 114 | 64.6 Ų | 64.6 | 74% | 0.74 | 35% | 0.351 | S | S | * | . | trans | -71.2 | 115.4 | 177.6 | 28.5 | -33.5 | 0 | 0 | 0 | 110.6 | ||||
| 233 | Q | 93.8 | Very high | 95.8 | Very high | 104 Ų | 104 | 65.9 Ų | 65.9 | 49% | 0.486 | 36% | 0.359 | S | S | . | . | trans | -141.1 | 152.2 | 175.9 | -61.2 | -171 | -16.4 | 0 | 0 | 111 | P231 N235 Y236 | P231-Q233 PolarHBondContact O-N 2.98Å; Q233-N235 PolarHBondContact OE1-O 2.89Å; Q233-Y236 HydrophobicContact CB-CD1 4.19Å; Q233-Y236 HydrophobicContact CB-CE1 3.8Å; Q233-Y236 HydrophobicContact CB-CE2 4.29Å; Q233-Y236 HydrophobicContact CG-CD1 4.46Å; Q233-Y236 HydrophobicContact CG-CE1 4.06Å; Q233-Y236 PolarHBondContact N-OH 3.07Å | ||
| 234 | E | 93.3 | Very high | 95.9 | Very high | 169 Ų | 169 | 62 Ų | 62 | 79% | 0.79 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -71.9 | -40.3 | 172.3 | -170.3 | -174.9 | 175 | 0 | 0 | 111.4 | ||
| 235 | N | 94.1 | Very high | 95.9 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -138.8 | 134.6 | 178.8 | -63.2 | -79.1 | 0 | 0 | 0 | 109.6 | Q233 S306 V308 | Q233-N235 PolarHBondContact OE1-O 2.89Å; N235-S306 VanDerWaalsContact OD1-CB 3.26Å; N235-S306 WeakPolarHBondContact OD1-CB 3.31Å; N235-S306 PolarHBondContact OD1-OG 2.85Å; N235-V308 HydrophobicContact CB-CG1 4.24Å; N235-V308 HydrophobicContact CB-CG2 4.02Å |
| 236 | Y | 95.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.02 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 140.3 | 175.8 | -59.8 | -91.3 | 0 | 0 | 0 | 109.8 | V229 P231 Q233 I242 I305 S306 V307 V308 | V229-Y236 WeakPolarHBondContact CG1-OH 3.12Å; P231-Y236 HydrophobicContact CG-CE1 4.28Å; P231-Y236 VanDerWaalsContact O-CE1 3.23Å; P231-Y236 WeakPolarHBondContact O-CE1 3.29Å; P231-Y236 PolarHBondContact O-OH 3.09Å; Q233-Y236 HydrophobicContact CB-CD1 4.19Å; Q233-Y236 HydrophobicContact CB-CE1 3.8Å; Q233-Y236 HydrophobicContact CB-CE2 4.29Å; Q233-Y236 HydrophobicContact CG-CD1 4.46Å; Q233-Y236 HydrophobicContact CG-CE1 4.06Å; Q233-Y236 PolarHBondContact N-OH 3.07Å; Y236-I242 HydrophobicContact CD1-CD1 3.55Å; Y236-I242 HydrophobicContact CD1-CG1 3.64Å; Y236-I242 HydrophobicContact CD2-CD1 3.56Å; Y236-I242 HydrophobicContact CE1-CD1 3.93Å; Y236-I242 HydrophobicContact CE1-CG1 3.86Å; Y236-I242 HydrophobicContact CE1-CG2 4.24Å; Y236-I242 HydrophobicContact CE2-CD1 3.97Å; Y236-I242 HydrophobicContact CG-CD1 3.35Å; Y236-I242 HydrophobicContact CG-CG1 3.99Å; Y236-I305 HydrophobicContact CD2-CG2 4.03Å; Y236-I305 HydrophobicContact CE2-CD1 4.22Å; Y236-I305 HydrophobicContact CE2-CG2 4.22Å; Y236-S306 PolarHBondContact N-O 2.8Å; Y236-V307 CarbonylContact O-C 3.5Å; Y236-V307 WeakPolarHBondContact O-CA 3.05Å; Y236-V308 PolarHBondContact O-N 2.01Å |
| 237 | K | 92.6 | Very high | 96 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 140.9 | 171.6 | -172.1 | -173 | -173.4 | 152.5 | 0 | 109.9 | G239 S240 E310 S340 | K237-G239 PolarHBondContact O-N 3.01Å; K237-S240 PolarHBondContact N-OG 2.95Å; K237-S240 VanDerWaalsContact O-CB 3.25Å; K237-S240 WeakPolarHBondContact O-CB 3.18Å; K237-S240 PolarHBondContact O-N 2.81Å; K237-S240 PolarHBondContact O-OG 2.94Å; K237-E310 HydrophobicContact CD-CG 4.31Å; K237-E310 VanDerWaalsContact CD-OE1 3.22Å; K237-E310 WeakPolarHBondContact CD-OE1 3.13Å; K237-E310 VanDerWaalsContact CE-OE1 3.26Å; K237-E310 WeakPolarHBondContact CE-OE1 3.42Å; K237-E310 WeakPolarHBondContact CE-OE2 3.44Å; K237-E310 HydrophobicContact CG-CG 4.27Å; K237-E310 IonicContact NZ-OE1 2.68Å; K237-E310 PolarHBondContact NZ-OE1 2.85Å; K237-E310 IonicContact NZ-OE2 2.71Å; K237-E310 PolarHBondContact NZ-OE2 2.71Å; K237-S340 WeakPolarHBondContact CE-OG 3.36Å |
| 238 | E | 92.9 | Very high | 96 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 130.2 | 167.4 | -162.2 | -167.3 | 162.1 | 0 | 0 | 110.8 | V277 K278 V307 V308 | E238-V277 CarbonylContact C-O 3.51Å; E238-V277 WeakPolarHBondContact CA-O 3.45Å; E238-V277 VanDerWaalsContact CG-O 3.22Å; E238-V277 WeakPolarHBondContact CG-O 3.24Å; E238-K278 HydrophobicContact CG-CD 4Å; E238-K278 WeakPolarHBondContact OE1-CD 3.43Å; E238-K278 IonicContact OE1-NZ 2.73Å; E238-K278 PolarHBondContact OE1-NZ 2.74Å; E238-V307 HydrophobicContact CB-CG1 4.32Å; E238-V308 PolarHBondContact N-O 2.82Å |
| 239 | G | 92.1 | Very high | 96 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -2.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K237 N276 V277 | K237-G239 PolarHBondContact O-N 3.01Å; G239-N276 VanDerWaalsContact CA-OD1 3.3Å; G239-N276 WeakPolarHBondContact CA-OD1 3.34Å; G239-V277 PolarHBondContact N-O 2.85Å |
| 240 | S | 95.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | trans | -68.3 | 160.2 | 172.6 | -55.1 | 0 | 0 | 0 | 0 | 112 | K237 N276 V277 | K237-S240 PolarHBondContact N-OG 2.95Å; K237-S240 VanDerWaalsContact O-CB 3.25Å; K237-S240 WeakPolarHBondContact O-CB 3.18Å; K237-S240 PolarHBondContact O-N 2.81Å; K237-S240 PolarHBondContact O-OG 2.94Å; S240-N276 PolarHBondContact O-N 3.02Å; S240-V277 WeakPolarHBondContact O-CG1 3.27Å; S240-V277 WeakPolarHBondContact O-CG2 3.38Å; S240-V277 PolarHBondContact O-N 3.35Å | ||
| 241 | D | 97.3 | Very high | 95.9 | Very high | 97 Ų | 97 | 52.5 Ų | 52.5 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | trans | -107.4 | 128.3 | 171.4 | -64.4 | -18.1 | 0 | 0 | 0 | 109.4 | L274 I275 N276 | D241-L274 CarbonylContact C-O 3.4Å; D241-L274 WeakPolarHBondContact CA-O 3.33Å; D241-I275 VanDerWaalsContact OD1-CA 3.27Å; D241-I275 WeakPolarHBondContact OD1-CA 3.29Å; D241-I275 VanDerWaalsContact OD1-CG2 3.31Å; D241-I275 WeakPolarHBondContact OD1-CG2 3.31Å; D241-N276 PolarHBondContact OD1-N 3.19Å | ||
| 242 | I | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.8 | -176 | -49 | 176.8 | 0 | 0 | 0 | 108.5 | V229 Y236 L244 L274 V277 I305 | V229-I242 HydrophobicContact CG1-CG2 3.5Å; V229-I242 VanDerWaalsContact CG1-CG2 3.5Å; Y236-I242 HydrophobicContact CD1-CD1 3.55Å; Y236-I242 HydrophobicContact CD1-CG1 3.64Å; Y236-I242 HydrophobicContact CD2-CD1 3.56Å; Y236-I242 HydrophobicContact CE1-CD1 3.93Å; Y236-I242 HydrophobicContact CE1-CG1 3.86Å; Y236-I242 HydrophobicContact CE1-CG2 4.24Å; Y236-I242 HydrophobicContact CE2-CD1 3.97Å; Y236-I242 HydrophobicContact CG-CD1 3.35Å; Y236-I242 HydrophobicContact CG-CG1 3.99Å; I242-L244 HydrophobicContact CG2-CD1 4.37Å; I242-L274 HydrophobicContact CB-CB 4.39Å; I242-L274 PolarHBondContact N-O 3.27Å; I242-L274 PolarHBondContact O-N 3.37Å; I242-V277 HydrophobicContact CD1-CG1 3.86Å; I242-V277 HydrophobicContact CD1-CG2 4.15Å; I242-V277 HydrophobicContact CG1-CG1 4.02Å; I242-I305 HydrophobicContact CD1-CG2 3.75Å |
| 243 | T | 98.1 | Very high | 96.1 | Very high | 35 Ų | 35 | 52 Ų | 52 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.1 | 170.9 | -59 | 0 | 0 | 0 | 0 | 109.8 | V230 Q271 R273 | V230-T243 PolarHBondContact N-O 2.92Å; V230-T243 PolarHBondContact O-N 3.27Å; T243-Q271 HydrophobicContact CG2-CB 4.45Å; T243-R273 HydrophobicContact CG2-CG 4.11Å |
| 244 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.8 | 167.9 | -60.4 | 95.7 | 0 | 0 | 0 | 108.6 | L227 T228 V229 I242 W258 Q271 L272 L274 Y285 I305 | L227-L244 HydrophobicContact CD1-CB 4.03Å; L227-L244 HydrophobicContact CD1-CD2 4.23Å; L227-L244 HydrophobicContact CD2-CD2 4.49Å; T228-L244 CarbonylContact O-C 3.47Å; T228-L244 WeakPolarHBondContact O-CA 3.42Å; V229-L244 HydrophobicContact CG2-CD2 4.19Å; V229-L244 HydrophobicContact CG2-CG 4.28Å; I242-L244 HydrophobicContact CG2-CD1 4.37Å; L244-W258 HydrophobicContact CB-CH2 3.5Å; L244-W258 HydrophobicContact CB-CZ2 4.44Å; L244-W258 HydrophobicContact CB-CZ3 3.68Å; L244-W258 HydrophobicContact CD2-CZ3 4.18Å; L244-Q271 CarbonylContact O-C 3.55Å; L244-Q271 VanDerWaalsContact O-CA 3.27Å; L244-Q271 WeakPolarHBondContact O-CA 3.37Å; L244-L272 HydrophobicContact CB-CB 4.33Å; L244-L272 HydrophobicContact CD1-CB 4.46Å; L244-L272 HydrophobicContact CD1-CD2 4.28Å; L244-L272 HydrophobicContact CD1-CG 4.4Å; L244-L272 PolarHBondContact N-O 2.91Å; L244-L272 PolarHBondContact O-N 2.81Å; L244-L274 HydrophobicContact CD1-CD1 3.71Å; L244-L274 HydrophobicContact CD1-CG 3.99Å; L244-Y285 HydrophobicContact CD1-CD1 4.39Å; L244-Y285 HydrophobicContact CD2-CD1 3.93Å; L244-Y285 HydrophobicContact CD2-CG 3.78Å; L244-I305 HydrophobicContact CD2-CD1 4.4Å; L244-I305 HydrophobicContact CD2-CG1 4.38Å |
| 245 | S | 98.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.2 | 177.7 | -60 | 0 | 0 | 0 | 0 | 110.4 | T228 P270 Q271 | T228-S245 PolarHBondContact N-O 2.72Å; T228-S245 PolarHBondContact O-N 2.99Å; T228-S245 PolarHBondContact OG1-O 3.43Å; S245-P270 CarbonylContact C-O 3.6Å; S245-P270 WeakPolarHBondContact CA-O 3.36Å; S245-Q271 PolarHBondContact OG-NE2 3.3Å |
| 246 | C | 97.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.9 | 179.5 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | E226 F256 W258 P270 C287 | E226-C246 VanDerWaalsContact O-CA 3.31Å; E226-C246 WeakPolarHBondContact O-CA 3.49Å; C246-F256 HydrophobicContact CB-CD1 3.77Å; C246-F256 HydrophobicContact CB-CE1 3.99Å; C246-F256 HydrophobicContact CB-CG 4.37Å; C246-F256 WeakPolarHBondContact SG-CD1 3.45Å; C246-F256 WeakPolarHBondContact SG-CE1 3.39Å; C246-W258 HydrophobicContact CB-CH2 4.05Å; C246-W258 HydrophobicContact CB-CZ2 4.03Å; C246-P270 PolarHBondContact N-O 2.8Å; C246-C287 HydrophobicContact CB-CB 3.59Å; C246-C287 WeakPolarHBondContact CB-SG 3.32Å; C246-C287 WeakPolarHBondContact SG-CB 3.18Å; C246-C287 CovalentContact SG-SG 2.01Å; C246-C287 PolarHBondContact SG-SG 2.96Å |
| 247 | S | 97.9 | Very high | 96.8 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.3 | 175.8 | 50 | 0 | 0 | 0 | 0 | 110.9 | V225 E226 | V225-S247 CarbonylContact C-O 3.41Å; V225-S247 VanDerWaalsContact CA-O 3.27Å; V225-S247 WeakPolarHBondContact CA-O 3.38Å; E226-S247 PolarHBondContact N-O 2.92Å; E226-S247 PolarHBondContact O-N 2.81Å |
| 248 | A | 98.1 | Very high | 97.1 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 147 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P222 V225 F256 A289 | P222-A248 HydrophobicContact CB-CB 3.97Å; V225-A248 HydrophobicContact CG2-CB 3.93Å; A248-F256 HydrophobicContact CB-CE1 4.13Å; A248-F256 HydrophobicContact CB-CZ 4.12Å; A248-A289 HydrophobicContact CB-CB 3.68Å |
| 249 | D | 97.4 | Very high | 97.3 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 112.1 | 167.5 | -179 | 22.1 | 0 | 0 | 0 | 108.9 | R192 Y220 P222 E223 | R192-D249 IonicContact NH1-OD2 3.29Å; R192-D249 PolarHBondContact NH1-OD2 2.94Å; Y220-D249 VanDerWaalsContact CE2-OD1 3.26Å; Y220-D249 WeakPolarHBondContact CE2-OD1 2.98Å; Y220-D249 PolarHBondContact OH-OD1 2.66Å; P222-D249 CarbonylContact C-O 3.53Å; P222-D249 VanDerWaalsContact CA-O 3.3Å; P222-D249 WeakPolarHBondContact CA-O 3.31Å; E223-D249 PolarHBondContact N-O 3.48Å; E223-D249 PolarHBondContact O-N 2.91Å |
| 250 | S | 97.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 42.4 Ų | 42.4 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 138.3 | -174.4 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | P252 N291 | S250-P252 CarbonylContact C-O 3.53Å; S250-P252 VanDerWaalsContact C-O 3.24Å; S250-P252 CarbonylContact O-C 3.57Å; S250-P252 PolarHBondContact OG-O 3.36Å; S250-N291 PolarHBondContact OG-ND2 3.24Å |
| 251 | N | 96.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 34% | 0.342 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 118.5 | 170 | -174.8 | 22.7 | 0 | 0 | 0 | 110.9 | I218 S219 Y220 N291 | I218-N251 PolarHBondContact O-ND2 3.24Å; S219-N251 CarbonylContact C-O 3.56Å; S219-N251 VanDerWaalsContact CA-O 3.26Å; S219-N251 WeakPolarHBondContact CA-O 3.27Å; S219-N251 WeakPolarHBondContact CB-O 3.02Å; Y220-N251 HydrophobicContact CD1-CB 3.64Å; Y220-N251 HydrophobicContact CE1-CB 3.23Å; Y220-N251 HydrophobicContact CE2-CB 4.36Å; Y220-N251 HydrophobicContact CG-CB 4.35Å; Y220-N251 PolarHBondContact N-O 2.84Å; Y220-N251 PolarHBondContact O-N 2.94Å; N251-N291 PolarHBondContact O-ND2 2.83Å |
| 252 | P | 96.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | S | Bend | cis | -61.9 | 168.3 | -5.8 | 26.9 | -35.6 | 0 | 0 | 0 | 113.1 | S250 A254 N291 K293 | S250-P252 CarbonylContact C-O 3.53Å; S250-P252 VanDerWaalsContact C-O 3.24Å; S250-P252 CarbonylContact O-C 3.57Å; S250-P252 PolarHBondContact OG-O 3.36Å; P252-A254 PolarHBondContact O-N 3.11Å; P252-N291 PolarHBondContact O-ND2 3.16Å; P252-N291 VanDerWaalsContact O-ND2 3.08Å; P252-K293 HydrophobicContact CG-CB 3.95Å; P252-K293 HydrophobicContact CG-CD 4.43Å |
| 253 | P | 97.1 | Very high | 97.2 | Very high | 114 Ų | 114 | 55 Ų | 55 | 74% | 0.74 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -52 | 137.1 | 178.4 | -27.6 | 35.3 | 0 | 0 | 0 | 112.3 | ||
| 254 | A | 98 | Very high | 97.1 | Very high | 15 Ų | 15 | 57 Ų | 57 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 149.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P222 P252 F256 A289 F290 | P222-A254 HydrophobicContact CB-CB 4.17Å; P252-A254 PolarHBondContact O-N 3.11Å; A254-F256 HydrophobicContact CB-CZ 4.48Å; A254-F256 WeakPolarHBondContact O-CE2 3.47Å; A254-A289 HydrophobicContact CB-CB 3.93Å; A254-F290 CarbonylContact C-O 3.43Å; A254-F290 WeakPolarHBondContact CA-O 3.47Å |
| 255 | E | 98 | Very high | 97 | Very high | 123 Ų | 123 | 58.5 Ų | 58.5 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 145.7 | 167.6 | -64.3 | 179.9 | -175.9 | 0 | 0 | 110.1 | A289 F290 | E255-A289 CarbonylContact O-C 3.58Å; E255-A289 WeakPolarHBondContact O-CA 3.46Å; E255-F290 PolarHBondContact N-O 2.83Å; E255-F290 PolarHBondContact O-N 2.84Å |
| 256 | F | 98.2 | Very high | 96.8 | Very high | 24 Ų | 24 | 63 Ų | 63 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.8 | -174.5 | -63.5 | -84.3 | 0 | 0 | 0 | 112.5 | C246 A248 A254 S268 G269 P270 R288 A289 | C246-F256 HydrophobicContact CB-CD1 3.77Å; C246-F256 HydrophobicContact CB-CE1 3.99Å; C246-F256 HydrophobicContact CB-CG 4.37Å; C246-F256 WeakPolarHBondContact SG-CD1 3.45Å; C246-F256 WeakPolarHBondContact SG-CE1 3.39Å; A248-F256 HydrophobicContact CB-CE1 4.13Å; A248-F256 HydrophobicContact CB-CZ 4.12Å; A254-F256 HydrophobicContact CB-CZ 4.48Å; A254-F256 WeakPolarHBondContact O-CE2 3.47Å; F256-S268 CarbonylContact O-C 3.51Å; F256-S268 VanDerWaalsContact O-CA 3.27Å; F256-S268 WeakPolarHBondContact O-CA 3.46Å; F256-S268 WeakPolarHBondContact O-CB 3.4Å; F256-G269 WeakPolarHBondContact CB-O 3.33Å; F256-G269 PolarHBondContact O-N 2.82Å; F256-P270 HydrophobicContact CD2-CB 4.01Å; F256-P270 HydrophobicContact CE2-CB 4.22Å; F256-R288 VanDerWaalsContact CA-O 3.31Å; F256-R288 WeakPolarHBondContact CA-O 3.45Å; F256-A289 HydrophobicContact CD1-CB 3.97Å; F256-A289 HydrophobicContact CE1-CB 3.65Å; F256-A289 HydrophobicContact CZ-CB 4.43Å |
| 257 | Q | 98 | Very high | 96.7 | Very high | 84 Ų | 84 | 65.9 Ų | 65.9 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140 | 172.8 | -69 | 178.9 | -26.7 | 0 | 0 | 110.3 | L264 C287 R288 | Q257-L264 HydrophobicContact CB-CD1 3.92Å; Q257-C287 CarbonylContact O-C 3.54Å; Q257-C287 WeakPolarHBondContact O-CA 3.49Å; Q257-R288 PolarHBondContact N-O 2.97Å; Q257-R288 PolarHBondContact O-N 2.84Å |
| 258 | W | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 138.5 | -175.1 | -69.1 | 90.8 | 0 | 0 | 0 | 112.9 | L227 L244 C246 T265 N267 G269 L272 C287 | L227-W258 HydrophobicContact CD1-CH2 3.52Å; L227-W258 HydrophobicContact CD1-CZ3 3.47Å; L227-W258 VanDerWaalsContact CD1-CZ3 3.47Å; L244-W258 HydrophobicContact CB-CH2 3.5Å; L244-W258 HydrophobicContact CB-CZ2 4.44Å; L244-W258 HydrophobicContact CB-CZ3 3.68Å; L244-W258 HydrophobicContact CD2-CZ3 4.18Å; C246-W258 HydrophobicContact CB-CH2 4.05Å; C246-W258 HydrophobicContact CB-CZ2 4.03Å; W258-T265 PolarHBondContact O-N 3.03Å; W258-T265 PolarHBondContact O-OG1 2.8Å; W258-N267 HydrophobicContact CB-CB 4.19Å; W258-N267 HydrophobicContact CG-CB 4.35Å; W258-N267 PolarHBondContact N-O 2.73Å; W258-G269 PolarHBondContact NE1-O 3.04Å; W258-L272 HydrophobicContact CB-CD2 4.42Å; W258-L272 HydrophobicContact CD2-CB 3.65Å; W258-L272 HydrophobicContact CD2-CD2 4.03Å; W258-L272 HydrophobicContact CD2-CG 4.42Å; W258-L272 VanDerWaalsContact CE2-CB 3.5Å; W258-L272 HydrophobicContact CE3-CB 4.03Å; W258-L272 HydrophobicContact CE3-CD2 3.98Å; W258-L272 HydrophobicContact CG-CB 4.14Å; W258-L272 HydrophobicContact CG-CD2 4.22Å; W258-L272 HydrophobicContact CH2-CB 4.12Å; W258-L272 HydrophobicContact CZ2-CB 3.76Å; W258-L272 HydrophobicContact CZ3-CB 4.24Å; W258-C287 HydrophobicContact CD2-CB 4.25Å; W258-C287 HydrophobicContact CE3-CB 3.98Å; W258-C287 HydrophobicContact CH2-CB 4.23Å; W258-C287 HydrophobicContact CZ2-CB 4.46Å; W258-C287 HydrophobicContact CZ3-CB 3.98Å |
| 259 | F | 98 | Very high | 96.5 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 9% | 0.088 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.1 | 174.2 | -68.6 | -101.6 | 0 | 0 | 0 | 109.3 | H263 L264 Y285 S286 R288 | F259-H263 CarbonylContact C-O 3.58Å; F259-H263 VanDerWaalsContact CA-O 3.26Å; F259-H263 WeakPolarHBondContact CA-O 3.27Å; F259-L264 HydrophobicContact CD1-CB 4.21Å; F259-L264 HydrophobicContact CD2-CD1 4.49Å; F259-L264 HydrophobicContact CE1-CB 3.73Å; F259-L264 HydrophobicContact CE1-CD1 4.15Å; F259-L264 HydrophobicContact CE2-CD1 3.85Å; F259-L264 HydrophobicContact CZ-CB 4.1Å; F259-L264 HydrophobicContact CZ-CD1 3.65Å; F259-L264 HydrophobicContact CZ-CG 4.39Å; F259-Y285 WeakPolarHBondContact O-CA 3.46Å; F259-S286 WeakPolarHBondContact CB-OG 3.18Å; F259-S286 PolarHBondContact N-O 3.4Å; F259-S286 PolarHBondContact O-N 3.05Å; F259-R288 HydrophobicContact CD2-CB 4.25Å; F259-R288 HydrophobicContact CE2-CB 3.58Å; F259-R288 VanDerWaalsContact CZ-NH2 3.32Å |
| 260 | I | 96.8 | Very high | 96.5 | Very high | 42 Ų | 42 | 68 Ų | 68 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.9 | 175 | -55.5 | 178.7 | 0 | 0 | 0 | 107 | E262 H263 T265 L272 Y285 | I260-E262 VanDerWaalsContact C-N 3.27Å; I260-E262 PolarHBondContact O-N 3.46Å; I260-H263 PolarHBondContact N-O 2.91Å; I260-H263 WeakPolarHBondContact O-CB 3.38Å; I260-H263 PolarHBondContact O-N 2.88Å; I260-T265 HydrophobicContact CB-CG2 4.1Å; I260-T265 HydrophobicContact CD1-CG2 3.81Å; I260-T265 HydrophobicContact CG1-CG2 3.7Å; I260-L272 HydrophobicContact CD1-CD2 4.46Å; I260-Y285 HydrophobicContact CB-CE1 4.48Å; I260-Y285 HydrophobicContact CD1-CD1 4.29Å; I260-Y285 HydrophobicContact CD1-CE1 3.69Å; I260-Y285 HydrophobicContact CG1-CD1 3.82Å; I260-Y285 HydrophobicContact CG1-CE1 3.67Å; I260-Y285 HydrophobicContact CG2-CE1 4.1Å; I260-Y285 HydrophobicContact CG2-CE2 4.49Å |
| 261 | N | 94.9 | Very high | 96.5 | Very high | 92 Ų | 92 | 71.6 Ų | 71.6 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 49.3 | -174.4 | -60.8 | -38 | 0 | 0 | 0 | 111.9 | H263 G283 N284 | N261-H263 PolarHBondContact O-N 3.1Å; N261-G283 WeakPolarHBondContact OD1-CA 3.37Å; N261-N284 PolarHBondContact N-O 3.5Å; N261-N284 PolarHBondContact OD1-N 2.85Å |
| 262 | E | 92.8 | Very high | 96.5 | Very high | 161 Ų | 161 | 68.9 Ų | 68.9 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | -1.1 | -178.3 | -52.2 | -177.5 | 164.8 | 0 | 0 | 115.6 | I260 | I260-E262 VanDerWaalsContact C-N 3.27Å; I260-E262 PolarHBondContact O-N 3.46Å |
| 263 | H | 95.6 | Very high | 96.5 | Very high | 140 Ų | 140 | 74.7 Ų | 74.7 | 65% | 0.648 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.6 | 177.5 | -167.3 | 67.9 | 0 | 0 | 0 | 111.6 | F259 I260 N261 T265 | F259-H263 CarbonylContact C-O 3.58Å; F259-H263 VanDerWaalsContact CA-O 3.26Å; F259-H263 WeakPolarHBondContact CA-O 3.27Å; I260-H263 PolarHBondContact N-O 2.91Å; I260-H263 WeakPolarHBondContact O-CB 3.38Å; I260-H263 PolarHBondContact O-N 2.88Å; N261-H263 PolarHBondContact O-N 3.1Å; H263-T265 PolarHBondContact O-N 3.31Å |
| 264 | L | 95.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 70.3 Ų | 70.3 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132.8 | 173.1 | 176.9 | 64.2 | 0 | 0 | 0 | 110 | Q257 F259 | Q257-L264 HydrophobicContact CB-CD1 3.92Å; F259-L264 HydrophobicContact CD1-CB 4.21Å; F259-L264 HydrophobicContact CD2-CD1 4.49Å; F259-L264 HydrophobicContact CE1-CB 3.73Å; F259-L264 HydrophobicContact CE1-CD1 4.15Å; F259-L264 HydrophobicContact CE2-CD1 3.85Å; F259-L264 HydrophobicContact CZ-CB 4.1Å; F259-L264 HydrophobicContact CZ-CD1 3.65Å; F259-L264 HydrophobicContact CZ-CG 4.39Å |
| 265 | T | 95.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 75.4 Ų | 75.4 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 167.8 | 177.3 | 72.1 | 0 | 0 | 0 | 0 | 111.6 | W258 I260 H263 N267 | W258-T265 PolarHBondContact O-N 3.03Å; W258-T265 PolarHBondContact O-OG1 2.8Å; I260-T265 HydrophobicContact CB-CG2 4.1Å; I260-T265 HydrophobicContact CD1-CG2 3.81Å; I260-T265 HydrophobicContact CG1-CG2 3.7Å; H263-T265 PolarHBondContact O-N 3.31Å; T265-N267 PolarHBondContact O-N 2.67Å; T265-N267 PolarHBondContact OG1-N 3.41Å; T265-N267 PolarHBondContact OG1-ND2 2.8Å |
| 266 | S | 94.6 | Very high | 96.3 | Very high | 122 Ų | 122 | 73.6 Ų | 73.6 | 85% | 0.853 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -4.5 | 170.5 | 57 | 0 | 0 | 0 | 0 | 113.4 | ||
| 267 | N | 94.6 | Very high | 96.2 | Very high | 68 Ų | 68 | 72.4 Ų | 72.4 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.2 | 179.4 | -57 | -65.3 | 0 | 0 | 0 | 110 | W258 T265 L272 | W258-N267 HydrophobicContact CB-CB 4.19Å; W258-N267 HydrophobicContact CG-CB 4.35Å; W258-N267 PolarHBondContact N-O 2.73Å; T265-N267 PolarHBondContact O-N 2.67Å; T265-N267 PolarHBondContact OG1-N 3.41Å; T265-N267 PolarHBondContact OG1-ND2 2.8Å; N267-L272 HydrophobicContact CB-CD1 3.84Å |
| 268 | S | 95.4 | Very high | 96 | Very high | 91 Ų | 91 | 72.1 Ų | 72.1 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 166.4 | 179.3 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | F256 | F256-S268 CarbonylContact O-C 3.51Å; F256-S268 VanDerWaalsContact O-CA 3.27Å; F256-S268 WeakPolarHBondContact O-CA 3.46Å; F256-S268 WeakPolarHBondContact O-CB 3.4Å |
| 269 | G | 96.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 75.5 Ų | 75.5 | 24% | 0.237 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 92.9 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F256 W258 Q271 | F256-G269 WeakPolarHBondContact CB-O 3.33Å; F256-G269 PolarHBondContact O-N 2.82Å; W258-G269 PolarHBondContact NE1-O 3.04Å; G269-Q271 PolarHBondContact O-N 3.49Å; G269-Q271 VanDerWaalsContact O-N 3.14Å |
| 270 | P | 97.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 80.7 Ų | 80.7 | 49% | 0.494 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -72.1 | -9.2 | -167.3 | 29.7 | -36.8 | 0 | 0 | 0 | 113.7 | S245 C246 F256 | S245-P270 CarbonylContact C-O 3.6Å; S245-P270 WeakPolarHBondContact CA-O 3.36Å; C246-P270 PolarHBondContact N-O 2.8Å; F256-P270 HydrophobicContact CD2-CB 4.01Å; F256-P270 HydrophobicContact CE2-CB 4.22Å |
| 271 | Q | 97.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 81.9 Ų | 81.9 | 42% | 0.416 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.4 | -179.7 | -64.8 | -167.3 | -28.6 | 0 | 0 | 112.1 | T243 L244 S245 G269 | T243-Q271 HydrophobicContact CG2-CB 4.45Å; L244-Q271 CarbonylContact O-C 3.55Å; L244-Q271 VanDerWaalsContact O-CA 3.27Å; L244-Q271 WeakPolarHBondContact O-CA 3.37Å; S245-Q271 PolarHBondContact OG-NE2 3.3Å; G269-Q271 PolarHBondContact O-N 3.49Å; G269-Q271 VanDerWaalsContact O-N 3.14Å |
| 272 | L | 97.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 79.5 Ų | 79.5 | 4% | 0.042 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.9 | 166.6 | 177.5 | 65 | 0 | 0 | 0 | 108.8 | L244 W258 I260 N267 L274 Y285 | L244-L272 HydrophobicContact CB-CB 4.33Å; L244-L272 HydrophobicContact CD1-CB 4.46Å; L244-L272 HydrophobicContact CD1-CD2 4.28Å; L244-L272 HydrophobicContact CD1-CG 4.4Å; L244-L272 PolarHBondContact N-O 2.91Å; L244-L272 PolarHBondContact O-N 2.81Å; W258-L272 HydrophobicContact CB-CD2 4.42Å; W258-L272 HydrophobicContact CD2-CB 3.65Å; W258-L272 HydrophobicContact CD2-CD2 4.03Å; W258-L272 HydrophobicContact CD2-CG 4.42Å; W258-L272 VanDerWaalsContact CE2-CB 3.5Å; W258-L272 HydrophobicContact CE3-CB 4.03Å; W258-L272 HydrophobicContact CE3-CD2 3.98Å; W258-L272 HydrophobicContact CG-CB 4.14Å; W258-L272 HydrophobicContact CG-CD2 4.22Å; W258-L272 HydrophobicContact CH2-CB 4.12Å; W258-L272 HydrophobicContact CZ2-CB 3.76Å; W258-L272 HydrophobicContact CZ3-CB 4.24Å; I260-L272 HydrophobicContact CD1-CD2 4.46Å; N267-L272 HydrophobicContact CB-CD1 3.84Å; L272-L274 HydrophobicContact CD1-CD2 4.33Å; L272-L274 HydrophobicContact CD2-CD2 4.13Å; L272-L274 HydrophobicContact CG-CD2 4.01Å; L272-L274 HydrophobicContact CG-CG 4.44Å; L272-Y285 HydrophobicContact CD2-CD1 3.94Å; L272-Y285 HydrophobicContact CD2-CE1 4.03Å |
| 273 | R | 97 | Very high | 95.6 | Very high | 168 Ų | 168 | 72 Ų | 72 | 63% | 0.634 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.5 | 177.6 | -63.9 | -174.5 | -177.8 | -174.2 | 0.9 | 109.8 | T243 | T243-R273 HydrophobicContact CG2-CG 4.11Å |
| 274 | L | 96.7 | Very high | 95.8 | Very high | 22 Ų | 22 | 68.1 Ų | 68.1 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 108 | 173.5 | -52.1 | 176.6 | 0 | 0 | 0 | 107.8 | D241 I242 L244 L272 V277 Y285 | D241-L274 CarbonylContact C-O 3.4Å; D241-L274 WeakPolarHBondContact CA-O 3.33Å; I242-L274 HydrophobicContact CB-CB 4.39Å; I242-L274 PolarHBondContact N-O 3.27Å; I242-L274 PolarHBondContact O-N 3.37Å; L244-L274 HydrophobicContact CD1-CD1 3.71Å; L244-L274 HydrophobicContact CD1-CG 3.99Å; L272-L274 HydrophobicContact CD1-CD2 4.33Å; L272-L274 HydrophobicContact CD2-CD2 4.13Å; L272-L274 HydrophobicContact CG-CD2 4.01Å; L272-L274 HydrophobicContact CG-CG 4.44Å; L274-V277 HydrophobicContact CB-CG1 3.57Å; L274-Y285 HydrophobicContact CD1-CE1 3.8Å; L274-Y285 HydrophobicContact CD2-CE1 4.49Å |
| 275 | I | 96.6 | Very high | 95.9 | Very high | 122 Ų | 122 | 64.5 Ų | 64.5 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | trans | -101.3 | 139.8 | -178.1 | -59.4 | 174.6 | 0 | 0 | 0 | 108.8 | D241 V277 | D241-I275 VanDerWaalsContact OD1-CA 3.27Å; D241-I275 WeakPolarHBondContact OD1-CA 3.29Å; D241-I275 VanDerWaalsContact OD1-CG2 3.31Å; D241-I275 WeakPolarHBondContact OD1-CG2 3.31Å; I275-V277 PolarHBondContact O-N 3.21Å | ||
| 276 | N | 94.9 | Very high | 96 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 50.2 | 57 | 179.6 | -174.9 | 2 | 0 | 0 | 0 | 111.7 | G239 S240 D241 K278 | G239-N276 VanDerWaalsContact CA-OD1 3.3Å; G239-N276 WeakPolarHBondContact CA-OD1 3.34Å; S240-N276 PolarHBondContact O-N 3.02Å; D241-N276 PolarHBondContact OD1-N 3.19Å; N276-K278 PolarHBondContact OD1-NZ 3.2Å |
| 277 | V | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -60.3 | 144.4 | -170.5 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | E238 G239 S240 I242 L274 I275 V307 | E238-V277 CarbonylContact C-O 3.51Å; E238-V277 WeakPolarHBondContact CA-O 3.45Å; E238-V277 VanDerWaalsContact CG-O 3.22Å; E238-V277 WeakPolarHBondContact CG-O 3.24Å; G239-V277 PolarHBondContact N-O 2.85Å; S240-V277 WeakPolarHBondContact O-CG1 3.27Å; S240-V277 WeakPolarHBondContact O-CG2 3.38Å; S240-V277 PolarHBondContact O-N 3.35Å; I242-V277 HydrophobicContact CD1-CG1 3.86Å; I242-V277 HydrophobicContact CD1-CG2 4.15Å; I242-V277 HydrophobicContact CG1-CG1 4.02Å; L274-V277 HydrophobicContact CB-CG1 3.57Å; I275-V277 PolarHBondContact O-N 3.21Å; V277-V307 HydrophobicContact CB-CG1 4.44Å; V277-V307 HydrophobicContact CB-CG2 4.1Å; V277-V307 HydrophobicContact CG2-CG1 3.81Å; V277-V307 HydrophobicContact CG2-CG2 3.85Å | ||
| 278 | K | 93.8 | Very high | 96.3 | Very high | 78 Ų | 78 | 57.9 Ų | 57.9 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | trans | -111.6 | 158.7 | -180 | -63.2 | -54.9 | -179.3 | -167 | 0 | 110.6 | E238 N276 N280 H281 | E238-K278 HydrophobicContact CG-CD 4Å; E238-K278 WeakPolarHBondContact OE1-CD 3.43Å; E238-K278 IonicContact OE1-NZ 2.73Å; E238-K278 PolarHBondContact OE1-NZ 2.74Å; N276-K278 PolarHBondContact OD1-NZ 3.2Å; K278-N280 WeakPolarHBondContact CB-OD1 3.26Å; K278-N280 PolarHBondContact O-N 2.89Å; K278-N280 VanDerWaalsContact O-N 3.15Å; K278-H281 PolarHBondContact N-ND1 3.08Å; K278-H281 VanDerWaalsContact N-ND1 3.1Å; K278-H281 VanDerWaalsContact O-CB 3.29Å; K278-H281 WeakPolarHBondContact O-CB 3.3Å; K278-H281 PolarHBondContact O-N 2.9Å | ||
| 279 | V | 92.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -57 | -33 | -178.8 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | H281 T282 V309 | V279-H281 PolarHBondContact O-N 2.82Å; V279-T282 WeakPolarHBondContact O-CB 3.49Å; V279-T282 PolarHBondContact O-N 2.95Å; V279-T282 VanDerWaalsContact O-N 3.09Å; V279-T282 PolarHBondContact O-OG1 3.28Å; V279-V309 HydrophobicContact CG2-CG2 3.63Å |
| 280 | N | 93 | Very high | 96.5 | Very high | 129 Ų | 129 | 54.9 Ų | 54.9 | 69% | 0.69 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -71.8 | -8.8 | 175.8 | 70.1 | -15.6 | 0 | 0 | 0 | 114.6 | K278 | K278-N280 WeakPolarHBondContact CB-OD1 3.26Å; K278-N280 PolarHBondContact O-N 2.89Å; K278-N280 VanDerWaalsContact O-N 3.15Å |
| 281 | H | 95.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -81.7 | -2.5 | 168.5 | -58.6 | 156.8 | 0 | 0 | 0 | 112.2 | K278 V279 G283 Y285 | K278-H281 PolarHBondContact N-ND1 3.08Å; K278-H281 VanDerWaalsContact N-ND1 3.1Å; K278-H281 VanDerWaalsContact O-CB 3.29Å; K278-H281 WeakPolarHBondContact O-CB 3.3Å; K278-H281 PolarHBondContact O-N 2.9Å; V279-H281 PolarHBondContact O-N 2.82Å; H281-G283 PolarHBondContact O-N 2.72Å; H281-Y285 WeakPolarHBondContact O-CE2 3.49Å; H281-Y285 PolarHBondContact O-OH 2.94Å |
| 282 | T | 96.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | trans | -62.7 | 131.7 | 171.9 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | V279 F304 I305 V307 | V279-T282 WeakPolarHBondContact O-CB 3.49Å; V279-T282 PolarHBondContact O-N 2.95Å; V279-T282 VanDerWaalsContact O-N 3.09Å; V279-T282 PolarHBondContact O-OG1 3.28Å; T282-F304 HydrophobicContact CG2-CE1 4.49Å; T282-F304 HydrophobicContact CG2-CE2 4.25Å; T282-F304 HydrophobicContact CG2-CZ 3.75Å; T282-I305 VanDerWaalsContact CA-O 3.24Å; T282-I305 WeakPolarHBondContact CA-O 3.32Å; T282-I305 WeakPolarHBondContact CG2-O 3.29Å; T282-V307 PolarHBondContact OG1-N 2.78Å; T282-V307 PolarHBondContact OG1-O 2.8Å | ||
| 283 | G | 96.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | -177.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N261 H281 Y285 F304 I305 | N261-G283 WeakPolarHBondContact OD1-CA 3.37Å; H281-G283 PolarHBondContact O-N 2.72Å; G283-Y285 WeakPolarHBondContact O-CD2 3.21Å; G283-F304 WeakPolarHBondContact O-CA 3.34Å; G283-I305 PolarHBondContact N-O 2.79Å; G283-I305 PolarHBondContact O-N 3.05Å |
| 284 | N | 97.8 | Very high | 96.3 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.5 | 175.4 | -74.7 | -36.2 | 0 | 0 | 0 | 110.4 | N261 L302 F304 | N261-N284 PolarHBondContact N-O 3.5Å; N261-N284 PolarHBondContact OD1-N 2.85Å; N284-L302 HydrophobicContact CB-CB 4.48Å; N284-L302 HydrophobicContact CB-CD1 4.47Å; N284-L302 HydrophobicContact CB-CD2 4.1Å; N284-F304 WeakPolarHBondContact OD1-CD2 3.45Å |
| 285 | Y | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.4 | 177 | -68.6 | -106.5 | 0 | 0 | 0 | 109.4 | L227 L244 F259 I260 L272 L274 H281 G283 L302 S303 I305 | L227-Y285 VanDerWaalsContact CD2-O 3.29Å; L227-Y285 WeakPolarHBondContact CD2-O 3.34Å; L244-Y285 HydrophobicContact CD1-CD1 4.39Å; L244-Y285 HydrophobicContact CD2-CD1 3.93Å; L244-Y285 HydrophobicContact CD2-CG 3.78Å; F259-Y285 WeakPolarHBondContact O-CA 3.46Å; I260-Y285 HydrophobicContact CB-CE1 4.48Å; I260-Y285 HydrophobicContact CD1-CD1 4.29Å; I260-Y285 HydrophobicContact CD1-CE1 3.69Å; I260-Y285 HydrophobicContact CG1-CD1 3.82Å; I260-Y285 HydrophobicContact CG1-CE1 3.67Å; I260-Y285 HydrophobicContact CG2-CE1 4.1Å; I260-Y285 HydrophobicContact CG2-CE2 4.49Å; L272-Y285 HydrophobicContact CD2-CD1 3.94Å; L272-Y285 HydrophobicContact CD2-CE1 4.03Å; L274-Y285 HydrophobicContact CD1-CE1 3.8Å; L274-Y285 HydrophobicContact CD2-CE1 4.49Å; H281-Y285 WeakPolarHBondContact O-CE2 3.49Å; H281-Y285 PolarHBondContact O-OH 2.94Å; G283-Y285 WeakPolarHBondContact O-CD2 3.21Å; Y285-L302 WeakPolarHBondContact O-CA 3.26Å; Y285-S303 PolarHBondContact N-O 3.01Å; Y285-S303 PolarHBondContact O-N 2.88Å; Y285-I305 HydrophobicContact CD2-CB 3.91Å; Y285-I305 HydrophobicContact CD2-CG1 3.43Å; Y285-I305 VanDerWaalsContact CD2-CG1 3.43Å; Y285-I305 HydrophobicContact CE2-CB 3.69Å; Y285-I305 HydrophobicContact CE2-CG1 3.65Å; Y285-I305 HydrophobicContact CG-CG1 4.17Å |
| 286 | S | 98.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 162.4 | 166.6 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | F259 S300 | F259-S286 WeakPolarHBondContact CB-OG 3.18Å; F259-S286 PolarHBondContact N-O 3.4Å; F259-S286 PolarHBondContact O-N 3.05Å; S286-S300 WeakPolarHBondContact CA-OG 3.46Å; S286-S300 WeakPolarHBondContact CB-OG 3.41Å |
| 287 | C | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143 | 173.4 | 52 | 0 | 0 | 0 | 0 | 109.7 | C246 Q257 W258 T299 S300 | C246-C287 HydrophobicContact CB-CB 3.59Å; C246-C287 WeakPolarHBondContact CB-SG 3.32Å; C246-C287 WeakPolarHBondContact SG-CB 3.18Å; C246-C287 CovalentContact SG-SG 2.01Å; C246-C287 PolarHBondContact SG-SG 2.96Å; Q257-C287 CarbonylContact O-C 3.54Å; Q257-C287 WeakPolarHBondContact O-CA 3.49Å; W258-C287 HydrophobicContact CD2-CB 4.25Å; W258-C287 HydrophobicContact CE3-CB 3.98Å; W258-C287 HydrophobicContact CH2-CB 4.23Å; W258-C287 HydrophobicContact CZ2-CB 4.46Å; W258-C287 HydrophobicContact CZ3-CB 3.98Å; C287-T299 CarbonylContact O-C 3.59Å; C287-T299 WeakPolarHBondContact O-CA 3.37Å; C287-T299 WeakPolarHBondContact O-CG2 3.49Å; C287-S300 PolarHBondContact N-OG 3.05Å; C287-S300 PolarHBondContact O-N 2.82Å; C287-S300 VanDerWaalsContact SG-CB 3.59Å |
| 288 | R | 98 | Very high | 96.4 | Very high | 74 Ų | 74 | 58.6 Ų | 58.6 | 28% | 0.279 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.2 | 171.2 | -178.5 | -177 | -65.3 | 172.5 | -2.1 | 108.8 | F256 Q257 F259 Y297 Q298 | F256-R288 VanDerWaalsContact CA-O 3.31Å; F256-R288 WeakPolarHBondContact CA-O 3.45Å; Q257-R288 PolarHBondContact N-O 2.97Å; Q257-R288 PolarHBondContact O-N 2.84Å; F259-R288 HydrophobicContact CD2-CB 4.25Å; F259-R288 HydrophobicContact CE2-CB 3.58Å; F259-R288 VanDerWaalsContact CZ-NH2 3.32Å; R288-Y297 HydrophobicContact CG-CD2 4.19Å; R288-Y297 HydrophobicContact CG-CG 4.47Å; R288-Q298 CarbonylContact C-O 3.53Å; R288-Q298 WeakPolarHBondContact CA-O 3.45Å |
| 289 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | P222 V225 A248 A254 E255 F256 Y297 Q298 | P222-A289 HydrophobicContact CB-CB 3.63Å; P222-A289 HydrophobicContact CG-CB 4.1Å; P222-A289 WeakPolarHBondContact CG-O 3.35Å; V225-A289 HydrophobicContact CG1-CB 4.15Å; V225-A289 HydrophobicContact CG2-CB 3.87Å; A248-A289 HydrophobicContact CB-CB 3.68Å; A254-A289 HydrophobicContact CB-CB 3.93Å; E255-A289 CarbonylContact O-C 3.58Å; E255-A289 WeakPolarHBondContact O-CA 3.46Å; F256-A289 HydrophobicContact CD1-CB 3.97Å; F256-A289 HydrophobicContact CE1-CB 3.65Å; F256-A289 HydrophobicContact CZ-CB 4.43Å; A289-Y297 CarbonylContact O-C 3.54Å; A289-Y297 WeakPolarHBondContact O-CA 3.45Å; A289-Y297 VanDerWaalsContact O-CB 3.29Å; A289-Y297 WeakPolarHBondContact O-CB 2.97Å; A289-Q298 PolarHBondContact N-O 3.17Å; A289-Q298 PolarHBondContact O-N 3.15Å |
| 290 | F | 97.9 | Very high | 96.9 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.8 | 178.7 | 173.3 | -113.2 | 0 | 0 | 0 | 110.2 | A254 E255 N292 L296 | A254-F290 CarbonylContact C-O 3.43Å; A254-F290 WeakPolarHBondContact CA-O 3.47Å; E255-F290 PolarHBondContact N-O 2.83Å; E255-F290 PolarHBondContact O-N 2.84Å; F290-N292 HydrophobicContact CE1-CB 3.95Å; F290-L296 WeakPolarHBondContact CD2-O 3.44Å |
| 291 | N | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 113.4 | 173.5 | -179.9 | -41.3 | 0 | 0 | 0 | 109.3 | Y220 S250 N251 P252 K293 T294 Q295 L296 | Y220-N291 PolarHBondContact O-ND2 3.25Å; S250-N291 PolarHBondContact OG-ND2 3.24Å; N251-N291 PolarHBondContact O-ND2 2.83Å; P252-N291 PolarHBondContact O-ND2 3.16Å; P252-N291 VanDerWaalsContact O-ND2 3.08Å; N291-K293 PolarHBondContact O-N 2.76Å; N291-K293 WeakPolarHBondContact OD1-CA 3.43Å; N291-K293 WeakPolarHBondContact OD1-CB 3.26Å; N291-K293 PolarHBondContact OD1-N 3.43Å; N291-T294 WeakPolarHBondContact CB-OG1 3.47Å; N291-T294 PolarHBondContact O-N 3.25Å; N291-T294 PolarHBondContact OD1-N 2.97Å; N291-Q295 WeakPolarHBondContact O-CA 3.35Å; N291-Q295 PolarHBondContact O-N 2.79Å; N291-L296 PolarHBondContact N-O 3.43Å |
| 292 | N | 96.2 | Very high | 97.1 | Very high | 101 Ų | 101 | 58 Ų | 58 | 54% | 0.54 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.8 | -175.7 | -166.1 | 27.6 | 0 | 0 | 0 | 113.5 | F290 Q295 | F290-N292 HydrophobicContact CE1-CB 3.95Å; N292-Q295 PolarHBondContact O-NE2 3.44Å; N292-Q295 PolarHBondContact OD1-NE2 3.48Å; N292-Q295 VanDerWaalsContact OD1-NE2 3.07Å |
| 293 | K | 94.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -44.5 | 176.5 | -173.7 | 165 | 176.6 | -173.5 | 0 | 111.7 | D138 S219 P252 N291 | D138-K293 WeakPolarHBondContact OD1-CE 3.41Å; D138-K293 IonicContact OD1-NZ 2.69Å; D138-K293 PolarHBondContact OD1-NZ 3.18Å; D138-K293 WeakPolarHBondContact OD2-CE 3.09Å; D138-K293 IonicContact OD2-NZ 3.88Å; D138-K293 PolarHBondContact OD2-NZ 3.02Å; S219-K293 VanDerWaalsContact OG-CD 3.24Å; S219-K293 WeakPolarHBondContact OG-CD 3.43Å; S219-K293 WeakPolarHBondContact OG-CE 3.31Å; S219-K293 PolarHBondContact OG-NZ 3.18Å; P252-K293 HydrophobicContact CG-CB 3.95Å; P252-K293 HydrophobicContact CG-CD 4.43Å; N291-K293 PolarHBondContact O-N 2.76Å; N291-K293 WeakPolarHBondContact OD1-CA 3.43Å; N291-K293 WeakPolarHBondContact OD1-CB 3.26Å; N291-K293 PolarHBondContact OD1-N 3.43Å |
| 294 | T | 95.5 | Very high | 97.2 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -13.4 | 179.7 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | I140 G221 N291 L296 | I140-T294 HydrophobicContact CG1-CG2 4.42Å; I140-T294 HydrophobicContact CG2-CG2 3.92Å; G221-T294 WeakPolarHBondContact CA-OG1 3.43Å; N291-T294 WeakPolarHBondContact CB-OG1 3.47Å; N291-T294 PolarHBondContact O-N 3.25Å; N291-T294 PolarHBondContact OD1-N 2.97Å; T294-L296 PolarHBondContact O-N 2.88Å; T294-L296 VanDerWaalsContact O-N 3.16Å; T294-L296 PolarHBondContact OG1-N 2.71Å |
| 295 | Q | 95.8 | Very high | 97.2 | Very high | 119 Ų | 119 | 60.5 Ų | 60.5 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 16.3 | -173.4 | -61 | -68 | -51.4 | 0 | 0 | 113.5 | N291 N292 | N291-Q295 WeakPolarHBondContact O-CA 3.35Å; N291-Q295 PolarHBondContact O-N 2.79Å; N292-Q295 PolarHBondContact O-NE2 3.44Å; N292-Q295 PolarHBondContact OD1-NE2 3.48Å; N292-Q295 VanDerWaalsContact OD1-NE2 3.07Å |
| 296 | L | 96.2 | Very high | 97.1 | Very high | 96 Ų | 96 | 61.3 Ų | 61.3 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 147.6 | 177.3 | -63.4 | 176.3 | 0 | 0 | 0 | 110.6 | P222 F290 N291 T294 | P222-L296 WeakPolarHBondContact CD-O 3.16Å; F290-L296 WeakPolarHBondContact CD2-O 3.44Å; N291-L296 PolarHBondContact N-O 3.43Å; T294-L296 PolarHBondContact O-N 2.88Å; T294-L296 VanDerWaalsContact O-N 3.16Å; T294-L296 PolarHBondContact OG1-N 2.71Å |
| 297 | Y | 97.3 | Very high | 97 | Very high | 148 Ų | 148 | 61.1 Ų | 61.1 | 58% | 0.58 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 152.9 | 172.1 | 62.1 | -87.6 | 0 | 0 | 0 | 110.8 | R288 A289 | R288-Y297 HydrophobicContact CG-CD2 4.19Å; R288-Y297 HydrophobicContact CG-CG 4.47Å; A289-Y297 CarbonylContact O-C 3.54Å; A289-Y297 WeakPolarHBondContact O-CA 3.45Å; A289-Y297 VanDerWaalsContact O-CB 3.29Å; A289-Y297 WeakPolarHBondContact O-CB 2.97Å |
| 298 | Q | 97.9 | Very high | 96.7 | Very high | 85 Ų | 85 | 64 Ų | 64 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 146.3 | 169.1 | -176.6 | 170.3 | 9.1 | 0 | 0 | 109.2 | P222 V225 R288 A289 | P222-Q298 HydrophobicContact CG-CB 4.49Å; P222-Q298 PolarHBondContact O-OE1 3.31Å; P222-Q298 VanDerWaalsContact O-OE1 3.11Å; V225-Q298 HydrophobicContact CB-CG 4.42Å; V225-Q298 HydrophobicContact CG2-CB 3.61Å; V225-Q298 HydrophobicContact CG2-CG 3.7Å; R288-Q298 CarbonylContact C-O 3.53Å; R288-Q298 WeakPolarHBondContact CA-O 3.45Å; A289-Q298 PolarHBondContact N-O 3.17Å; A289-Q298 PolarHBondContact O-N 3.15Å |
| 299 | T | 97.6 | Very high | 96.5 | Very high | 54 Ų | 54 | 61.5 Ų | 61.5 | 33% | 0.331 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.8 | 179.6 | -54 | 0 | 0 | 0 | 0 | 109.3 | C287 | C287-T299 CarbonylContact O-C 3.59Å; C287-T299 WeakPolarHBondContact O-CA 3.37Å; C287-T299 WeakPolarHBondContact O-CG2 3.49Å |
| 300 | S | 98.1 | Very high | 96.1 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 164.2 | 175.8 | 74 | 0 | 0 | 0 | 0 | 111.7 | S286 C287 | S286-S300 WeakPolarHBondContact CA-OG 3.46Å; S286-S300 WeakPolarHBondContact CB-OG 3.41Å; C287-S300 PolarHBondContact N-OG 3.05Å; C287-S300 PolarHBondContact O-N 2.82Å; C287-S300 VanDerWaalsContact SG-CB 3.59Å |
| 301 | Q | 96.6 | Very high | 95.8 | Very high | 174 Ų | 174 | 68.2 Ų | 68.2 | 81% | 0.813 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 156.7 | 160.2 | -65.4 | -176.3 | -7.8 | 0 | 0 | 110.7 | ||
| 302 | L | 96.6 | Very high | 95.6 | Very high | 95 Ų | 95 | 68.4 Ų | 68.4 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 137.3 | 177.5 | -63.6 | 169.1 | 0 | 0 | 0 | 110.3 | N284 Y285 | N284-L302 HydrophobicContact CB-CB 4.48Å; N284-L302 HydrophobicContact CB-CD1 4.47Å; N284-L302 HydrophobicContact CB-CD2 4.1Å; Y285-L302 WeakPolarHBondContact O-CA 3.26Å |
| 303 | S | 96.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 67.2 Ų | 67.2 | 21% | 0.21 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.7 | 167.2 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | V229 Y285 | V229-S303 WeakPolarHBondContact CG2-OG 3.26Å; Y285-S303 PolarHBondContact N-O 3.01Å; Y285-S303 PolarHBondContact O-N 2.88Å |
| 304 | F | 97.3 | Very high | 95.5 | Very high | 123 Ų | 123 | 66 Ų | 66 | 54% | 0.539 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.1 | 178.2 | -175 | -105.8 | 0 | 0 | 0 | 110.1 | T282 G283 N284 | T282-F304 HydrophobicContact CG2-CE1 4.49Å; T282-F304 HydrophobicContact CG2-CE2 4.25Å; T282-F304 HydrophobicContact CG2-CZ 3.75Å; G283-F304 WeakPolarHBondContact O-CA 3.34Å; N284-F304 WeakPolarHBondContact OD1-CD2 3.45Å |
| 305 | I | 97.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.4 | 174.1 | -57 | -59.6 | 0 | 0 | 0 | 108.1 | V229 Y236 I242 L244 T282 G283 Y285 V307 | V229-I305 HydrophobicContact CB-CD1 4.46Å; V229-I305 HydrophobicContact CG1-CD1 3.73Å; V229-I305 HydrophobicContact CG2-CD1 3.94Å; Y236-I305 HydrophobicContact CD2-CG2 4.03Å; Y236-I305 HydrophobicContact CE2-CD1 4.22Å; Y236-I305 HydrophobicContact CE2-CG2 4.22Å; I242-I305 HydrophobicContact CD1-CG2 3.75Å; L244-I305 HydrophobicContact CD2-CD1 4.4Å; L244-I305 HydrophobicContact CD2-CG1 4.38Å; T282-I305 VanDerWaalsContact CA-O 3.24Å; T282-I305 WeakPolarHBondContact CA-O 3.32Å; T282-I305 WeakPolarHBondContact CG2-O 3.29Å; G283-I305 PolarHBondContact N-O 2.79Å; G283-I305 PolarHBondContact O-N 3.05Å; Y285-I305 HydrophobicContact CD2-CB 3.91Å; Y285-I305 HydrophobicContact CD2-CG1 3.43Å; Y285-I305 VanDerWaalsContact CD2-CG1 3.43Å; Y285-I305 HydrophobicContact CE2-CB 3.69Å; Y285-I305 HydrophobicContact CE2-CG1 3.65Å; Y285-I305 HydrophobicContact CG-CG1 4.17Å; I305-V307 HydrophobicContact CG2-CG2 4.2Å |
| 306 | S | 96.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 64.6 Ų | 64.6 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | trans | -104.9 | 118.4 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | N235 Y236 | N235-S306 VanDerWaalsContact OD1-CB 3.26Å; N235-S306 WeakPolarHBondContact OD1-CB 3.31Å; N235-S306 PolarHBondContact OD1-OG 2.85Å; Y236-S306 PolarHBondContact N-O 2.8Å | ||
| 307 | V | 95.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.1 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | Y236 E238 V277 T282 I305 | Y236-V307 CarbonylContact O-C 3.5Å; Y236-V307 WeakPolarHBondContact O-CA 3.05Å; E238-V307 HydrophobicContact CB-CG1 4.32Å; V277-V307 HydrophobicContact CB-CG1 4.44Å; V277-V307 HydrophobicContact CB-CG2 4.1Å; V277-V307 HydrophobicContact CG2-CG1 3.81Å; V277-V307 HydrophobicContact CG2-CG2 3.85Å; T282-V307 PolarHBondContact OG1-N 2.78Å; T282-V307 PolarHBondContact OG1-O 2.8Å; I305-V307 HydrophobicContact CG2-CG2 4.2Å |
| 308 | V | 93.3 | Very high | 95.6 | Very high | 59 Ų | 59 | 60.4 Ų | 60.4 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 153.4 | -173.5 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | N235 Y236 E238 | N235-V308 HydrophobicContact CB-CG1 4.24Å; N235-V308 HydrophobicContact CB-CG2 4.02Å; Y236-V308 PolarHBondContact O-N 2.01Å; E238-V308 PolarHBondContact N-O 2.82Å |
| 309 | V | 92 | Very high | 95.3 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 127.4 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | V279 N387 V389 | V279-V309 HydrophobicContact CG2-CG2 3.63Å; V309-N387 HydrophobicContact CG1-CB 4.32Å; V309-V389 HydrophobicContact CB-CG2 4.08Å; V309-V389 HydrophobicContact CG1-CG2 4.07Å |
| 310 | E | 90 | Very high | 94.7 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 139.1 | 177.2 | -80.9 | 178.5 | -164.8 | 0 | 0 | 112.2 | K237 N387 | K237-E310 HydrophobicContact CD-CG 4.31Å; K237-E310 VanDerWaalsContact CD-OE1 3.22Å; K237-E310 WeakPolarHBondContact CD-OE1 3.13Å; K237-E310 VanDerWaalsContact CE-OE1 3.26Å; K237-E310 WeakPolarHBondContact CE-OE1 3.42Å; K237-E310 WeakPolarHBondContact CE-OE2 3.44Å; K237-E310 HydrophobicContact CG-CG 4.27Å; K237-E310 IonicContact NZ-OE1 2.68Å; K237-E310 PolarHBondContact NZ-OE1 2.85Å; K237-E310 IonicContact NZ-OE2 2.71Å; K237-E310 PolarHBondContact NZ-OE2 2.71Å; E310-N387 PolarHBondContact O-ND2 2.94Å |
| 311 | L | 91.6 | Very high | 93.8 | Very high | 112 Ų | 112 | 64.2 Ų | 64.2 | 59% | 0.586 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 143.2 | 172.7 | -63.7 | 171.3 | 0 | 0 | 0 | 111.3 | V389 | L311-V389 HydrophobicContact CD2-CB 4.34Å; L311-V389 HydrophobicContact CD2-CG2 3.99Å |
| 312 | I | 95.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 130.5 | 173.9 | -62.2 | 168 | 0 | 0 | 0 | 109.3 | A337 S338 V341 V385 S386 N387 S390 Q392 | I312-A337 HydrophobicContact CG2-CB 3.86Å; I312-S338 WeakPolarHBondContact CA-O 3.4Å; I312-V341 HydrophobicContact CD1-CG2 4.23Å; I312-V341 HydrophobicContact CG1-CG2 4.22Å; I312-V341 HydrophobicContact CG2-CG2 4.44Å; I312-V385 HydrophobicContact CD1-CB 4.44Å; I312-V385 HydrophobicContact CG2-CB 4.49Å; I312-V385 HydrophobicContact CG2-CG2 3.72Å; I312-S386 VanDerWaalsContact CD1-C 3.41Å; I312-S386 VanDerWaalsContact CD1-CA 3.45Å; I312-N387 HydrophobicContact CD1-CB 4.05Å; I312-S390 PolarHBondContact N-OG 2.68Å; I312-Q392 HydrophobicContact CG2-CB 4.24Å; I312-Q392 HydrophobicContact CG2-CG 4.12Å; I312-Q392 PolarHBondContact O-NE2 2.81Å |
| 313 | T | 94.8 | Very high | 93.1 | Very high | 76 Ų | 76 | 59 Ų | 59 | 47% | 0.466 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 152.8 | 178.5 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | A315 S338 | T313-A315 PolarHBondContact O-N 3.07Å; T313-S338 PolarHBondContact N-O 2.81Å; T313-S338 PolarHBondContact O-N 3.16Å |
| 314 | G | 94.3 | Very high | 92.9 | Very high | 56 Ų | 56 | 58 Ų | 58 | 58% | 0.577 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 65.7 | 35.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N316 | G314-N316 PolarHBondContact O-N 2.92Å |
| 315 | A | 96.6 | Very high | 92.8 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 126.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T313 E336 A337 V385 Q392 A394 | T313-A315 PolarHBondContact O-N 3.07Å; A315-E336 CarbonylContact C-O 3.59Å; A315-E336 VanDerWaalsContact CA-O 3.28Å; A315-E336 WeakPolarHBondContact CA-O 3.24Å; A315-A337 HydrophobicContact CB-CB 4.25Å; A315-V385 HydrophobicContact CB-CG2 3.89Å; A315-Q392 HydrophobicContact CB-CB 3.56Å; A315-A394 HydrophobicContact CB-CB 4.2Å |
| 316 | N | 97.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 152.9 | -179.7 | -171.3 | 15.8 | 0 | 0 | 0 | 111.2 | G314 C335 E336 | G314-N316 PolarHBondContact O-N 2.92Å; N316-C335 CarbonylContact O-C 3.54Å; N316-C335 WeakPolarHBondContact O-CA 3.18Å; N316-E336 PolarHBondContact N-O 3.16Å; N316-E336 PolarHBondContact O-N 2.86Å |
| 317 | I | 97.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 116.7 | 170.4 | -61.7 | 162.4 | 0 | 0 | 0 | 108.5 | L333 T334 C335 W346 C383 A394 L396 | I317-L333 HydrophobicContact CG2-CB 3.94Å; I317-T334 CarbonylContact C-O 3.54Å; I317-T334 WeakPolarHBondContact CA-O 3.03Å; I317-C335 HydrophobicContact CG1-CB 4.38Å; I317-W346 HydrophobicContact CD1-CZ3 3.89Å; I317-W346 HydrophobicContact CG1-CH2 4.18Å; I317-W346 HydrophobicContact CG1-CZ3 4.03Å; I317-W346 HydrophobicContact CG2-CH2 3.98Å; I317-W346 HydrophobicContact CG2-CZ3 4.07Å; I317-C383 HydrophobicContact CD1-CB 3.88Å; I317-C383 HydrophobicContact CG1-CB 3.9Å; I317-A394 HydrophobicContact CD1-CB 4.18Å; I317-A394 WeakPolarHBondContact CD1-O 3.46Å; I317-A394 HydrophobicContact CG1-CB 3.81Å; I317-L396 HydrophobicContact CB-CB 3.99Å; I317-L396 HydrophobicContact CB-CD2 4.4Å; I317-L396 HydrophobicContact CD1-CB 4.12Å; I317-L396 HydrophobicContact CG2-CB 4.05Å; I317-L396 HydrophobicContact CG2-CD2 3.68Å; I317-L396 HydrophobicContact CG2-CG 4.49Å |
| 318 | R | 95.4 | Very high | 92.1 | Very high | 149 Ų | 149 | 64.3 Ų | 64.3 | 56% | 0.562 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.3 | 170.4 | -61.4 | -167.4 | -174.7 | -161.6 | 9.3 | 110.3 | L333 T334 E336 | R318-L333 WeakPolarHBondContact O-CA 3.26Å; R318-T334 PolarHBondContact N-O 3.1Å; R318-T334 PolarHBondContact O-N 2.82Å; R318-E336 IonicContact CZ-OE1 3.43Å; R318-E336 IonicContact CZ-OE2 3.45Å; R318-E336 VanDerWaalsContact NE-CD 3.29Å; R318-E336 IonicContact NE-OE1 2.79Å; R318-E336 IonicContact NE-OE2 3.3Å; R318-E336 PolarHBondContact NE-OE2 2.77Å; R318-E336 IonicContact NH2-OE2 2.85Å; R318-E336 PolarHBondContact NH2-OE2 2.83Å |
| 319 | S | 91.5 | Very high | 92.1 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | trans | -131.2 | 149.8 | 169.1 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | L333 | S319-L333 VanDerWaalsContact CB-CD2 3.49Š| ||
| 320 | P | 83.6 | Confident | 92.2 | Very high | 61 Ų | 61 | 65 Ų | 65 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -58.5 | 140.5 | 173.4 | -24.2 | 31.5 | 0 | 0 | 0 | 111.9 | A322 T331 S332 | P320-A322 PolarHBondContact O-N 2.83Å; P320-T331 WeakPolarHBondContact CD-OG1 3.1Å; P320-T331 WeakPolarHBondContact CG-OG1 3.36Å; P320-S332 WeakPolarHBondContact CD-O 3.36Å | ||
| 321 | A | 79.3 | Confident | 92.5 | Very high | 116 Ų | 116 | 61.6 Ų | 61.6 | 96% | 0.959 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -73 | 11.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 322 | A | 87.2 | Confident | 92.7 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -82.2 | 143.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P320 L324 | P320-A322 PolarHBondContact O-N 2.83Å; A322-L324 PolarHBondContact O-N 2.76Å |
| 323 | V | 91.1 | Very high | 92.7 | Very high | 94 Ų | 94 | 57.6 Ų | 57.6 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 122.5 | 170.8 | -180 | 0 | 0 | 0 | 0 | 108.8 | I325 N401 V472 | V323-I325 HydrophobicContact CG1-CG1 4.47Å; V323-N401 VanDerWaalsContact CG1-ND2 3.34Å; V323-N401 WeakPolarHBondContact CG1-ND2 3.44Å; V323-V472 HydrophobicContact CG1-CG1 3.64Å |
| 324 | L | 94 | Very high | 92.8 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.9 | -177.5 | -56.4 | -179.7 | 0 | 0 | 0 | 110.6 | A322 T331 V373 L398 N401 | A322-L324 PolarHBondContact O-N 2.76Å; L324-T331 HydrophobicContact CD1-CG2 3.77Å; L324-T331 HydrophobicContact CD2-CG2 4.33Å; L324-V373 HydrophobicContact CB-CG1 4.38Å; L324-L398 HydrophobicContact CD1-CD1 3.57Å; L324-L398 HydrophobicContact CD1-CG 4.21Å; L324-N401 VanDerWaalsContact O-CB 3.31Å; L324-N401 WeakPolarHBondContact O-CB 3.32Å; L324-N401 PolarHBondContact O-N 2.85Å; L324-N401 PolarHBondContact O-ND2 2.86Å |
| 325 | I | 94.2 | Very high | 92.9 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.8 | 178.4 | -59.8 | 174.3 | 0 | 0 | 0 | 108.9 | V323 N327 Q328 S329 N401 V472 T473 | V323-I325 HydrophobicContact CG1-CG1 4.47Å; I325-N327 PolarHBondContact O-N 2.87Å; I325-Q328 HydrophobicContact CB-CB 4.17Å; I325-Q328 HydrophobicContact CG2-CB 4.1Å; I325-Q328 HydrophobicContact CG2-CG 4.13Å; I325-Q328 PolarHBondContact O-N 3.27Å; I325-Q328 VanDerWaalsContact O-N 3.11Å; I325-S329 PolarHBondContact N-OG 2.85Å; I325-S329 PolarHBondContact O-N 2.86Å; I325-S329 PolarHBondContact O-OG 3.15Å; I325-N401 WeakPolarHBondContact CA-O 3.29Å; I325-V472 HydrophobicContact CD1-CG1 4.48Å; I325-V472 HydrophobicContact CG1-CG1 4.38Å; I325-T473 HydrophobicContact CG2-CG2 4.22Å |
| 326 | E | 93.7 | Very high | 92.9 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 132.6 | 179.9 | 176.2 | 177.2 | -123.8 | 0 | 0 | 112.1 | Q328 V373 S375 V400 N401 Y402 Y405 | E326-Q328 PolarHBondContact O-N 2.69Å; E326-V373 WeakPolarHBondContact CA-O 3.46Å; E326-S375 WeakPolarHBondContact OE1-CB 3.31Å; E326-S375 PolarHBondContact OE1-N 2.92Å; E326-S375 PolarHBondContact OE1-OG 3.07Å; E326-V400 HydrophobicContact CB-CG1 4.4Å; E326-N401 PolarHBondContact N-O 3.26Å; E326-Y402 WeakPolarHBondContact OE2-CB 2.97Å; E326-Y405 WeakPolarHBondContact OE2-CE2 3.43Å; E326-Y405 PolarHBondContact OE2-OH 3.47Å |
| 327 | N | 91.4 | Very high | 92.8 | Very high | 104 Ų | 104 | 51.1 Ų | 51.1 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 6.7 | -178.1 | -64.6 | -35.7 | 0 | 0 | 0 | 116.1 | I325 V373 L374 | I325-N327 PolarHBondContact O-N 2.87Å; N327-V373 PolarHBondContact N-O 2.87Å; N327-L374 WeakPolarHBondContact OD1-CD2 3.14Å |
| 328 | Q | 91.1 | Very high | 92.6 | Very high | 128 Ų | 128 | 54.3 Ų | 54.3 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | -18.2 | 177.9 | -62.3 | -179.6 | 22.2 | 0 | 0 | 112.8 | I325 E326 | I325-Q328 HydrophobicContact CB-CB 4.17Å; I325-Q328 HydrophobicContact CG2-CB 4.1Å; I325-Q328 HydrophobicContact CG2-CG 4.13Å; I325-Q328 PolarHBondContact O-N 3.27Å; I325-Q328 VanDerWaalsContact O-N 3.11Å; E326-Q328 PolarHBondContact O-N 2.69Å |
| 329 | S | 93.1 | Very high | 92.4 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | trans | -118.1 | 160.1 | -177.2 | -53 | 0 | 0 | 0 | 0 | 112 | I325 V373 | I325-S329 PolarHBondContact N-OG 2.85Å; I325-S329 PolarHBondContact O-N 2.86Å; I325-S329 PolarHBondContact O-OG 3.15Å; S329-V373 WeakPolarHBondContact O-CB 3.4Å; S329-V373 PolarHBondContact O-N 2.91Å | ||
| 330 | S | 94.2 | Very high | 92.3 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 49% | 0.49 | 31% | 0.308 | S | S | . | . | trans | -135.2 | 145.6 | 169.5 | -77.5 | 0 | 0 | 0 | 0 | 107.4 | I370 | S330-I370 WeakPolarHBondContact CA-O 3.14Š| ||
| 331 | T | 95.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 171.9 | -178.9 | -163.2 | 0 | 0 | 0 | 0 | 111.6 | P320 L324 I370 V373 | P320-T331 WeakPolarHBondContact CD-OG1 3.1Å; P320-T331 WeakPolarHBondContact CG-OG1 3.36Å; L324-T331 HydrophobicContact CD1-CG2 3.77Å; L324-T331 HydrophobicContact CD2-CG2 4.33Å; T331-I370 HydrophobicContact CG2-CB 4.07Å; T331-I370 HydrophobicContact CG2-CD1 4.1Å; T331-I370 HydrophobicContact CG2-CG1 4.4Å; T331-I370 PolarHBondContact N-O 2.91Å; T331-I370 PolarHBondContact O-N 2.97Å; T331-V373 HydrophobicContact CG2-CG2 3.92Å |
| 332 | S | 95.5 | Very high | 93.3 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 140.8 | 172.2 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | P320 M368 | P320-S332 WeakPolarHBondContact CD-O 3.36Å; S332-M368 CarbonylContact C-O 3.59Å; S332-M368 WeakPolarHBondContact CA-O 3.31Å; S332-M368 WeakPolarHBondContact CB-O 3.35Å |
| 333 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.4 | 173.4 | -54 | -175.7 | 0 | 0 | 0 | 108.3 | I317 R318 S319 W346 T367 M368 Y381 L396 L398 | I317-L333 HydrophobicContact CG2-CB 3.94Å; R318-L333 WeakPolarHBondContact O-CA 3.26Å; S319-L333 VanDerWaalsContact CB-CD2 3.49Å; L333-W346 HydrophobicContact CB-CH2 3.75Å; L333-W346 HydrophobicContact CB-CZ3 3.99Å; L333-W346 WeakPolarHBondContact O-CH2 3.27Å; L333-W346 WeakPolarHBondContact O-CZ2 3.48Å; L333-T367 CarbonylContact O-C 3.2Å; L333-T367 WeakPolarHBondContact O-CA 3.38Å; L333-M368 HydrophobicContact CB-CB 4.42Å; L333-M368 HydrophobicContact CD1-SD 4.48Å; L333-M368 PolarHBondContact N-O 3.28Å; L333-M368 PolarHBondContact O-N 2.99Å; L333-Y381 HydrophobicContact CD1-CD1 3.7Å; L333-Y381 HydrophobicContact CD1-CD2 3.96Å; L333-Y381 HydrophobicContact CD1-CE1 4.13Å; L333-Y381 HydrophobicContact CD1-CE2 4.39Å; L333-Y381 HydrophobicContact CD1-CG 3.59Å; L333-L396 HydrophobicContact CD2-CD2 3.75Å; L333-L398 HydrophobicContact CD1-CD2 4.46Å; L333-L398 HydrophobicContact CD2-CD1 4.14Å |
| 334 | T | 97.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.9 | -179.5 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | I317 R318 E336 R366 T367 | I317-T334 CarbonylContact C-O 3.54Å; I317-T334 WeakPolarHBondContact CA-O 3.03Å; R318-T334 PolarHBondContact N-O 3.1Å; R318-T334 PolarHBondContact O-N 2.82Å; T334-E336 HydrophobicContact CG2-CG 4.05Å; T334-R366 HydrophobicContact CG2-CG 4.15Å; T334-T367 WeakPolarHBondContact OG1-CG2 3.32Å; T334-T367 PolarHBondContact OG1-OG1 3.38Å; T334-T367 VanDerWaalsContact OG1-OG1 3.1Å |
| 335 | C | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120.6 | 176.1 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | N316 I317 R344 W346 R366 C383 | N316-C335 CarbonylContact O-C 3.54Å; N316-C335 WeakPolarHBondContact O-CA 3.18Å; I317-C335 HydrophobicContact CG1-CB 4.38Å; C335-R344 VanDerWaalsContact C-NH1 3.28Å; C335-R344 VanDerWaalsContact O-CZ 3.3Å; C335-R344 PolarHBondContact O-NH1 2.88Å; C335-R344 PolarHBondContact SG-NH1 3.17Å; C335-W346 HydrophobicContact CB-CH2 3.63Å; C335-W346 HydrophobicContact CB-CZ2 3.41Å; C335-W346 VanDerWaalsContact CB-CZ2 3.41Å; C335-R366 PolarHBondContact N-O 2.87Å; C335-R366 WeakPolarHBondContact O-CG 3.33Å; C335-C383 HydrophobicContact CB-CB 3.64Å; C335-C383 WeakPolarHBondContact CB-SG 3.36Å; C335-C383 WeakPolarHBondContact SG-CB 3.45Å; C335-C383 CovalentContact SG-SG 2.01Å; C335-C383 PolarHBondContact SG-SG 2.96Å |
| 336 | E | 95.8 | Very high | 94 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.5 | -179.2 | -62.6 | -164.3 | 153.9 | 0 | 0 | 110.2 | A315 N316 R318 T334 R366 | A315-E336 CarbonylContact C-O 3.59Å; A315-E336 VanDerWaalsContact CA-O 3.28Å; A315-E336 WeakPolarHBondContact CA-O 3.24Å; N316-E336 PolarHBondContact N-O 3.16Å; N316-E336 PolarHBondContact O-N 2.86Å; R318-E336 IonicContact CZ-OE1 3.43Å; R318-E336 IonicContact CZ-OE2 3.45Å; R318-E336 VanDerWaalsContact NE-CD 3.29Å; R318-E336 IonicContact NE-OE1 2.79Å; R318-E336 IonicContact NE-OE2 3.3Å; R318-E336 PolarHBondContact NE-OE2 2.77Å; R318-E336 IonicContact NH2-OE2 2.85Å; R318-E336 PolarHBondContact NH2-OE2 2.83Å; T334-E336 HydrophobicContact CG2-CG 4.05Å; E336-R366 IonicContact OE1-NH2 3.71Å; E336-R366 PolarHBondContact OE1-NH2 3.47Å |
| 337 | A | 95.9 | Very high | 94 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 152.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | I312 A315 V341 V385 | I312-A337 HydrophobicContact CG2-CB 3.86Å; A315-A337 HydrophobicContact CB-CB 4.25Å; A337-V341 HydrophobicContact CB-CG2 4.08Å; A337-V385 HydrophobicContact CB-CG2 3.93Å |
| 338 | S | 93.2 | Very high | 94.1 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 52% | 0.517 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 158.4 | 172.2 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | I312 T313 | I312-S338 WeakPolarHBondContact CA-O 3.4Å; T313-S338 PolarHBondContact N-O 2.81Å; T313-S338 PolarHBondContact O-N 3.16Å |
| 339 | G | 90.4 | Very high | 94.2 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 94.3 | -168.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V341 | G339-V341 PolarHBondContact O-N 3.04Š|
| 340 | S | 90.5 | Very high | 93.9 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | trans | -86.2 | 92.1 | -178.1 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | K237 N387 | K237-S340 WeakPolarHBondContact CE-OG 3.36Å; S340-N387 WeakPolarHBondContact O-CB 3.46Å; S340-N387 PolarHBondContact O-ND2 3.08Å | ||
| 341 | V | 92.3 | Very high | 93.7 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | trans | -85.5 | 121.5 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | I312 A337 G339 T343 V385 | I312-V341 HydrophobicContact CD1-CG2 4.23Å; I312-V341 HydrophobicContact CG1-CG2 4.22Å; I312-V341 HydrophobicContact CG2-CG2 4.44Å; A337-V341 HydrophobicContact CB-CG2 4.08Å; G339-V341 PolarHBondContact O-N 3.04Å; V341-T343 WeakPolarHBondContact CG1-O 3.34Å; V341-V385 HydrophobicContact CG1-CB 3.97Å; V341-V385 HydrophobicContact CG1-CG1 3.83Å; V341-V385 HydrophobicContact CG2-CB 4.37Å; V341-V385 HydrophobicContact CG2-CG1 4.49Å | ||
| 342 | I | 90.8 | Very high | 93.5 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 54% | 0.544 | 30% | 0.304 | S | S | . | . | trans | -101.1 | -46.8 | 177 | -58.6 | -167.4 | 0 | 0 | 0 | 111.2 | S386 N387 P388 | I342-S386 PolarHBondContact N-O 2.85Å; I342-N387 HydrophobicContact CB-CB 4.48Å; I342-N387 HydrophobicContact CD1-CB 4.28Å; I342-N387 HydrophobicContact CG1-CB 3.96Å; I342-P388 HydrophobicContact CD1-CG 4.21Å | ||
| 343 | T | 94.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.9 | 179.2 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | V341 V385 S386 | V341-T343 WeakPolarHBondContact CG1-O 3.34Å; T343-V385 WeakPolarHBondContact O-CA 3.45Å; T343-S386 PolarHBondContact N-O 2.92Å; T343-S386 PolarHBondContact O-N 3.17Å; T343-S386 PolarHBondContact OG1-OG 2.62Å |
| 344 | R | 95.6 | Very high | 92.4 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 13% | 0.128 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 117.2 | 176.8 | -171 | 175.2 | -64.4 | -85.4 | 2.9 | 109.9 | C335 N365 R384 V385 | C335-R344 VanDerWaalsContact C-NH1 3.28Å; C335-R344 VanDerWaalsContact O-CZ 3.3Å; C335-R344 PolarHBondContact O-NH1 2.88Å; C335-R344 PolarHBondContact SG-NH1 3.17Å; R344-N365 HydrophobicContact CB-CB 4.43Å; R344-N365 WeakPolarHBondContact CD-O 3.22Å; R344-R384 WeakPolarHBondContact CA-O 3.32Å; R344-V385 HydrophobicContact CB-CG1 4.37Å; R344-V385 HydrophobicContact CG-CG1 4Å |
| 345 | E | 94.9 | Very high | 91.4 | Very high | 81 Ų | 81 | 63.4 Ų | 63.4 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127 | -175 | -68.3 | 176.1 | -156.3 | 0 | 0 | 110.4 | C383 R384 | E345-C383 CarbonylContact O-C 3.48Å; E345-C383 WeakPolarHBondContact O-CA 3.3Å; E345-R384 PolarHBondContact N-O 3.21Å; E345-R384 PolarHBondContact O-N 3.18Å; E345-R384 IonicContact OE1-CZ 3.69Å; E345-R384 IonicContact OE1-NH2 2.98Å; E345-R384 PolarHBondContact OE1-NH2 3.03Å; E345-R384 IonicContact OE2-CZ 3.54Å; E345-R384 IonicContact OE2-NH1 2.95Å; E345-R384 PolarHBondContact OE2-NH1 3Å; E345-R384 IonicContact OE2-NH2 3.08Å; E345-R384 PolarHBondContact OE2-NH2 3.18Å |
| 346 | W | 95.5 | Very high | 90.2 | Very high | 15 Ų | 15 | 65 Ų | 65 | 6% | 0.057 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138.3 | 175.3 | -71.3 | 93.2 | 0 | 0 | 0 | 111.1 | I317 L333 C335 L353 L361 N365 M368 Q382 C383 | I317-W346 HydrophobicContact CD1-CZ3 3.89Å; I317-W346 HydrophobicContact CG1-CH2 4.18Å; I317-W346 HydrophobicContact CG1-CZ3 4.03Å; I317-W346 HydrophobicContact CG2-CH2 3.98Å; I317-W346 HydrophobicContact CG2-CZ3 4.07Å; L333-W346 HydrophobicContact CB-CH2 3.75Å; L333-W346 HydrophobicContact CB-CZ3 3.99Å; L333-W346 WeakPolarHBondContact O-CH2 3.27Å; L333-W346 WeakPolarHBondContact O-CZ2 3.48Å; C335-W346 HydrophobicContact CB-CH2 3.63Å; C335-W346 HydrophobicContact CB-CZ2 3.41Å; C335-W346 VanDerWaalsContact CB-CZ2 3.41Å; W346-L353 HydrophobicContact CB-CB 4.26Å; W346-L353 HydrophobicContact CB-CD2 4.11Å; W346-L353 PolarHBondContact O-N 2.83Å; W346-L361 HydrophobicContact CG-CD2 4.3Å; W346-N365 PolarHBondContact NE1-O 3.12Å; W346-M368 HydrophobicContact CB-CE 3.91Å; W346-M368 HydrophobicContact CD2-CE 3.63Å; W346-M368 HydrophobicContact CE3-CE 3.48Å; W346-M368 VanDerWaalsContact CE3-CE 3.48Å; W346-M368 HydrophobicContact CG-CE 3.85Å; W346-M368 HydrophobicContact CZ2-CB 4.37Å; W346-M368 HydrophobicContact CZ3-CE 4.13Å; W346-Q382 WeakPolarHBondContact CA-O 3.34Å; W346-C383 HydrophobicContact CD2-CB 4.19Å; W346-C383 HydrophobicContact CE3-CB 3.9Å; W346-C383 HydrophobicContact CH2-CB 4.29Å; W346-C383 HydrophobicContact CZ3-CB 3.96Å |
| 347 | M | 94.9 | Very high | 89.1 | Confident | 32 Ų | 32 | 73 Ų | 73 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.6 | 176.8 | -63.5 | 174.5 | -69.1 | 0 | 0 | 109.6 | R351 Y381 Q382 R384 | M347-R351 CarbonylContact C-O 3.58Å; M347-R351 WeakPolarHBondContact CA-O 3.12Å; M347-R351 VanDerWaalsContact CB-O 3.29Å; M347-R351 WeakPolarHBondContact CB-O 3.33Å; M347-Y381 WeakPolarHBondContact O-CA 3.22Å; M347-Q382 HydrophobicContact CB-CB 4.2Å; M347-Q382 HydrophobicContact CE-CB 3.99Å; M347-Q382 PolarHBondContact N-O 2.03Å; M347-Q382 PolarHBondContact O-N 3.06Å; M347-R384 HydrophobicContact CE-CB 4.25Å |
| 348 | K | 93.9 | Very high | 88.6 | Confident | 42 Ų | 42 | 72 Ų | 72 | 18% | 0.183 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.5 | 171.8 | -178.3 | -180 | -171.2 | -74.8 | 0 | 108.8 | G350 R351 L353 S376 H378 N380 Y381 | K348-G350 PolarHBondContact O-N 2.91Å; K348-G350 VanDerWaalsContact O-N 3.13Å; K348-R351 PolarHBondContact N-O 2.87Å; K348-R351 PolarHBondContact O-N 3.37Å; K348-L353 HydrophobicContact CB-CD1 3.85Å; K348-S376 WeakPolarHBondContact CE-O 3.43Å; K348-S376 PolarHBondContact NZ-O 2.98Å; K348-S376 VanDerWaalsContact NZ-O 3.13Å; K348-H378 WeakPolarHBondContact CE-O 3.46Å; K348-H378 PolarHBondContact NZ-O 2.87Å; K348-N380 WeakPolarHBondContact CA-O 3.42Å; K348-Y381 HydrophobicContact CB-CD1 4.45Å; K348-Y381 HydrophobicContact CB-CE1 4.3Å; K348-Y381 HydrophobicContact CD-CE1 4.16Å; K348-Y381 HydrophobicContact CD-CE2 4.34Å; K348-Y381 HydrophobicContact CG-CE1 4.3Å; K348-Y381 HydrophobicContact CG-CE2 4.45Å |
| 349 | D | 91.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.4 | 177.3 | -55.1 | -46.1 | 0 | 0 | 0 | 112.9 | R351 N380 | D349-R351 VanDerWaalsContact C-N 3.34Å; D349-R351 PolarHBondContact O-N 3.09Å; D349-N380 PolarHBondContact N-O 2.93Å; D349-N380 PolarHBondContact OD1-N 2.79Å |
| 350 | G | 87.8 | Confident | 88.6 | Confident | 54 Ų | 54 | 71 Ų | 71 | 56% | 0.557 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 6.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K348 | K348-G350 PolarHBondContact O-N 2.91Å; K348-G350 VanDerWaalsContact O-N 3.13Å |
| 351 | R | 90.7 | Very high | 88.8 | Confident | 191 Ų | 191 | 72 Ų | 72 | 72% | 0.721 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 153.3 | 177.2 | -62.5 | -175.7 | -178 | -175.7 | 0.8 | 111.2 | M347 K348 D349 L353 | M347-R351 CarbonylContact C-O 3.58Å; M347-R351 WeakPolarHBondContact CA-O 3.12Å; M347-R351 VanDerWaalsContact CB-O 3.29Å; M347-R351 WeakPolarHBondContact CB-O 3.33Å; K348-R351 PolarHBondContact N-O 2.87Å; K348-R351 PolarHBondContact O-N 3.37Å; D349-R351 VanDerWaalsContact C-N 3.34Å; D349-R351 PolarHBondContact O-N 3.09Å; R351-L353 PolarHBondContact O-N 3.29Å |
| 352 | P | 89.6 | Confident | 88.9 | Confident | 113 Ų | 113 | 71 Ų | 71 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -50.2 | 138.6 | 169.3 | -25.3 | 34.6 | 0 | 0 | 0 | 110.4 | D354 | P352-D354 PolarHBondContact O-N 2.9Å |
| 353 | L | 87 | Confident | 88.9 | Confident | 12 Ų | 12 | 75.7 Ų | 75.7 | 6% | 0.063 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 125.1 | -177.7 | -166.8 | 75.7 | 0 | 0 | 0 | 110.4 | W346 K348 R351 F355 I359 M368 Y381 | W346-L353 HydrophobicContact CB-CB 4.26Å; W346-L353 HydrophobicContact CB-CD2 4.11Å; W346-L353 PolarHBondContact O-N 2.83Å; K348-L353 HydrophobicContact CB-CD1 3.85Å; R351-L353 PolarHBondContact O-N 3.29Å; L353-F355 HydrophobicContact CD2-CD1 4.26Å; L353-F355 HydrophobicContact CD2-CE1 3.82Å; L353-F355 HydrophobicContact CD2-CZ 4.43Å; L353-I359 HydrophobicContact CD1-CD1 4.32Å; L353-I359 HydrophobicContact CD2-CG2 3.72Å; L353-I359 HydrophobicContact CG-CG2 4.49Å; L353-M368 HydrophobicContact CD1-CE 3.69Å; L353-M368 HydrophobicContact CD1-SD 4.2Å; L353-M368 HydrophobicContact CD2-CE 3.32Å; L353-M368 HydrophobicContact CD2-CG 4.27Å; L353-M368 HydrophobicContact CD2-SD 3.85Å; L353-M368 HydrophobicContact CG-CE 4.13Å; L353-Y381 HydrophobicContact CD1-CD1 4.33Å; L353-Y381 HydrophobicContact CD1-CE1 3.87Å |
| 354 | D | 81.3 | Confident | 88.8 | Confident | 137 Ų | 137 | 77.7 Ų | 77.7 | 73% | 0.733 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 119.2 | 170.4 | -172.2 | 10.5 | 0 | 0 | 0 | 109.1 | P352 G356 | P352-D354 PolarHBondContact O-N 2.9Å; D354-G356 PolarHBondContact O-N 3.2Å |
| 355 | F | 77.1 | Confident | 88.7 | Confident | 124 Ų | 124 | 79.2 Ų | 79.2 | 54% | 0.544 | 42% | 0.42 | S | S | . | . | trans | -79.8 | 66.9 | 179 | -59.6 | -74.4 | 0 | 0 | 0 | 109.5 | L353 I359 L361 | L353-F355 HydrophobicContact CD2-CD1 4.26Å; L353-F355 HydrophobicContact CD2-CE1 3.82Å; L353-F355 HydrophobicContact CD2-CZ 4.43Å; F355-I359 HydrophobicContact CD1-CG2 4.33Å; F355-L361 HydrophobicContact CE1-CD1 3.36Å; F355-L361 HydrophobicContact CE1-CG 3.82Å; F355-L361 HydrophobicContact CZ-CD1 3.61Å | ||
| 356 | G | 71.9 | Confident | 88.8 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | trans | -62.9 | 172.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D354 S358 I359 | D354-G356 PolarHBondContact O-N 3.2Å; G356-S358 PolarHBondContact O-N 2.61Å; G356-I359 PolarHBondContact O-N 2.88Å; G356-I359 VanDerWaalsContact O-N 3.1Å | ||
| 357 | Q | 73.1 | Confident | 88.8 | Confident | 213 Ų | 213 | 80.8 Ų | 80.8 | 100% | 0.995 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.4 | -173.6 | -66.8 | -174.5 | 4 | 0 | 0 | 115 | ||
| 358 | S | 84 | Confident | 88.8 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 6% | 0.063 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -7.8 | -179.5 | 64.5 | 0 | 0 | 0 | 0 | 114.7 | G356 I370 R371 P372 N377 | G356-S358 PolarHBondContact O-N 2.61Å; S358-I370 CarbonylContact O-C 3.55Å; S358-I370 VanDerWaalsContact O-CA 3.27Å; S358-I370 WeakPolarHBondContact O-CA 3.45Å; S358-R371 WeakPolarHBondContact CA-O 3.48Å; S358-R371 PolarHBondContact O-N 2.82Å; S358-P372 VanDerWaalsContact CB-O 3.26Å; S358-P372 WeakPolarHBondContact CB-O 3.37Å; S358-N377 PolarHBondContact OG-OD1 2.98Å |
| 359 | I | 91.8 | Very high | 88.8 | Confident | 20 Ų | 20 | 79.9 Ų | 79.9 | 10% | 0.103 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.3 | -172.8 | -60.9 | -177.3 | 0 | 0 | 0 | 110.5 | L353 F355 G356 M368 F369 I370 | L353-I359 HydrophobicContact CD1-CD1 4.32Å; L353-I359 HydrophobicContact CD2-CG2 3.72Å; L353-I359 HydrophobicContact CG-CG2 4.49Å; F355-I359 HydrophobicContact CD1-CG2 4.33Å; G356-I359 PolarHBondContact O-N 2.88Å; G356-I359 VanDerWaalsContact O-N 3.1Å; I359-M368 HydrophobicContact CG2-CG 3.74Å; I359-M368 HydrophobicContact CG2-SD 3.99Å; I359-F369 WeakPolarHBondContact CA-O 3.1Å; I359-I370 HydrophobicContact CG1-CG1 4.48Å |
| 360 | S | 92.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 43% | 0.427 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 158.6 | 170.4 | 53.3 | 0 | 0 | 0 | 0 | 111 | M368 F369 | S360-M368 CarbonylContact O-C 3.51Å; S360-M368 WeakPolarHBondContact O-CA 3.25Å; S360-F369 PolarHBondContact N-O 2.91Å; S360-F369 PolarHBondContact O-N 2.89Å |
| 361 | L | 93.5 | Very high | 89.2 | Confident | 46 Ų | 46 | 80.8 Ų | 80.8 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 151.3 | 176.9 | -73.9 | 170.9 | 0 | 0 | 0 | 110.9 | W346 F355 N365 T367 M368 | W346-L361 HydrophobicContact CG-CD2 4.3Å; F355-L361 HydrophobicContact CE1-CD1 3.36Å; F355-L361 HydrophobicContact CE1-CG 3.82Å; F355-L361 HydrophobicContact CZ-CD1 3.61Å; L361-N365 HydrophobicContact CD1-CB 4.38Å; L361-T367 CarbonylContact C-O 3.56Å; L361-T367 WeakPolarHBondContact CA-O 3.19Å; L361-M368 HydrophobicContact CD2-CB 3.89Å; L361-M368 HydrophobicContact CD2-CG 4.29Å |
| 362 | S | 94.9 | Very high | 89.3 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | trans | -64.1 | 161.5 | 162.8 | 59.5 | 0 | 0 | 0 | 0 | 111 | D364 N365 R366 T367 | S362-D364 WeakPolarHBondContact CB-OD1 3.41Å; S362-D364 PolarHBondContact O-N 3.31Å; S362-D364 PolarHBondContact OG-OD1 2.84Å; S362-N365 WeakPolarHBondContact O-CA 3.45Å; S362-N365 PolarHBondContact O-N 2.9Å; S362-N365 PolarHBondContact O-OD1 2.89Å; S362-R366 PolarHBondContact OG-N 2.92Å; S362-R366 VanDerWaalsContact OG-N 3.09Å; S362-T367 PolarHBondContact N-O 2.88Å; S362-T367 PolarHBondContact OG-N 3.31Å; S362-T367 PolarHBondContact OG-O 2.81Å | ||
| 363 | M | 91.8 | Very high | 89.5 | Confident | 205 Ų | 205 | 69.2 Ų | 69.2 | 100% | 1.01 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.7 | -178.1 | -69.5 | -168.6 | -76.1 | 0 | 0 | 114 | N365 | M363-N365 VanDerWaalsContact C-N 3.34Š|
| 364 | D | 90.9 | Very high | 89.8 | Confident | 98 Ų | 98 | 71 Ų | 71 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 8.8 | 177.6 | 65 | -10.1 | 0 | 0 | 0 | 113.1 | S362 R366 | S362-D364 WeakPolarHBondContact CB-OD1 3.41Å; S362-D364 PolarHBondContact O-N 3.31Å; S362-D364 PolarHBondContact OG-OD1 2.84Å; D364-R366 PolarHBondContact O-N 2.95Å; D364-R366 WeakPolarHBondContact OD1-CB 3.32Å; D364-R366 PolarHBondContact OD1-N 3.24Å; D364-R366 WeakPolarHBondContact OD2-CB 3.45Å |
| 365 | N | 94.3 | Very high | 90.2 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 53.5 | 12.2 | -171.6 | -62.6 | -15.9 | 0 | 0 | 0 | 114.4 | R344 W346 L361 S362 M363 T367 | R344-N365 HydrophobicContact CB-CB 4.43Å; R344-N365 WeakPolarHBondContact CD-O 3.22Å; W346-N365 PolarHBondContact NE1-O 3.12Å; L361-N365 HydrophobicContact CD1-CB 4.38Å; S362-N365 WeakPolarHBondContact O-CA 3.45Å; S362-N365 PolarHBondContact O-N 2.9Å; S362-N365 PolarHBondContact O-OD1 2.89Å; M363-N365 VanDerWaalsContact C-N 3.34Å; N365-T367 PolarHBondContact O-N 2.81Å |
| 366 | R | 95.6 | Very high | 90.9 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | trans | -67.6 | -36.2 | -177 | -174.9 | -179.4 | 172.1 | 171.4 | -2.7 | 112.5 | T334 C335 E336 S362 D364 | T334-R366 HydrophobicContact CG2-CG 4.15Å; C335-R366 PolarHBondContact N-O 2.87Å; C335-R366 WeakPolarHBondContact O-CG 3.33Å; E336-R366 IonicContact OE1-NH2 3.71Å; E336-R366 PolarHBondContact OE1-NH2 3.47Å; S362-R366 PolarHBondContact OG-N 2.92Å; S362-R366 VanDerWaalsContact OG-N 3.09Å; D364-R366 PolarHBondContact O-N 2.95Å; D364-R366 WeakPolarHBondContact OD1-CB 3.32Å; D364-R366 PolarHBondContact OD1-N 3.24Å; D364-R366 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 367 | T | 95.8 | Very high | 91.8 | Very high | 20 Ų | 20 | 63 Ų | 63 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.3 | -176.5 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | L333 T334 L361 S362 N365 F369 | L333-T367 CarbonylContact O-C 3.2Å; L333-T367 WeakPolarHBondContact O-CA 3.38Å; T334-T367 WeakPolarHBondContact OG1-CG2 3.32Å; T334-T367 PolarHBondContact OG1-OG1 3.38Å; T334-T367 VanDerWaalsContact OG1-OG1 3.1Å; L361-T367 CarbonylContact C-O 3.56Å; L361-T367 WeakPolarHBondContact CA-O 3.19Å; S362-T367 PolarHBondContact N-O 2.88Å; S362-T367 PolarHBondContact OG-N 3.31Å; S362-T367 PolarHBondContact OG-O 2.81Å; N365-T367 PolarHBondContact O-N 2.81Å; T367-F369 HydrophobicContact CG2-CD1 4.21Å; T367-F369 HydrophobicContact CG2-CD2 4.49Å; T367-F369 HydrophobicContact CG2-CE1 3.72Å; T367-F369 HydrophobicContact CG2-CE2 4.04Å; T367-F369 HydrophobicContact CG2-CZ 3.63Å |
| 368 | M | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.3 | 167.4 | -175.3 | -162.2 | -53.7 | 0 | 0 | 109.3 | S332 L333 W346 L353 I359 S360 L361 I370 Y381 | S332-M368 CarbonylContact C-O 3.59Å; S332-M368 WeakPolarHBondContact CA-O 3.31Å; S332-M368 WeakPolarHBondContact CB-O 3.35Å; L333-M368 HydrophobicContact CB-CB 4.42Å; L333-M368 HydrophobicContact CD1-SD 4.48Å; L333-M368 PolarHBondContact N-O 3.28Å; L333-M368 PolarHBondContact O-N 2.99Å; W346-M368 HydrophobicContact CB-CE 3.91Å; W346-M368 HydrophobicContact CD2-CE 3.63Å; W346-M368 HydrophobicContact CE3-CE 3.48Å; W346-M368 VanDerWaalsContact CE3-CE 3.48Å; W346-M368 HydrophobicContact CG-CE 3.85Å; W346-M368 HydrophobicContact CZ2-CB 4.37Å; W346-M368 HydrophobicContact CZ3-CE 4.13Å; L353-M368 HydrophobicContact CD1-CE 3.69Å; L353-M368 HydrophobicContact CD1-SD 4.2Å; L353-M368 HydrophobicContact CD2-CE 3.32Å; L353-M368 HydrophobicContact CD2-CG 4.27Å; L353-M368 HydrophobicContact CD2-SD 3.85Å; L353-M368 HydrophobicContact CG-CE 4.13Å; I359-M368 HydrophobicContact CG2-CG 3.74Å; I359-M368 HydrophobicContact CG2-SD 3.99Å; S360-M368 CarbonylContact O-C 3.51Å; S360-M368 WeakPolarHBondContact O-CA 3.25Å; L361-M368 HydrophobicContact CD2-CB 3.89Å; L361-M368 HydrophobicContact CD2-CG 4.29Å; M368-I370 HydrophobicContact SD-CD1 4.25Å; M368-I370 HydrophobicContact SD-CG1 4.22Å; M368-Y381 HydrophobicContact CE-CD1 3.69Å; M368-Y381 HydrophobicContact CE-CE1 3.79Å; M368-Y381 HydrophobicContact SD-CD1 4.1Å; M368-Y381 HydrophobicContact SD-CE1 3.65Å |
| 369 | F | 94.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.5 | 174.2 | -58 | -80.5 | 0 | 0 | 0 | 110.1 | I359 S360 T367 | I359-F369 WeakPolarHBondContact CA-O 3.1Å; S360-F369 PolarHBondContact N-O 2.91Å; S360-F369 PolarHBondContact O-N 2.89Å; T367-F369 HydrophobicContact CG2-CD1 4.21Å; T367-F369 HydrophobicContact CG2-CD2 4.49Å; T367-F369 HydrophobicContact CG2-CE1 3.72Å; T367-F369 HydrophobicContact CG2-CE2 4.04Å; T367-F369 HydrophobicContact CG2-CZ 3.63Å |
| 370 | I | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 108.3 | 178.3 | -53 | 177.8 | 0 | 0 | 0 | 108.4 | S330 T331 S358 I359 M368 V373 N377 L398 | S330-I370 WeakPolarHBondContact CA-O 3.14Å; T331-I370 HydrophobicContact CG2-CB 4.07Å; T331-I370 HydrophobicContact CG2-CD1 4.1Å; T331-I370 HydrophobicContact CG2-CG1 4.4Å; T331-I370 PolarHBondContact N-O 2.91Å; T331-I370 PolarHBondContact O-N 2.97Å; S358-I370 CarbonylContact O-C 3.55Å; S358-I370 VanDerWaalsContact O-CA 3.27Å; S358-I370 WeakPolarHBondContact O-CA 3.45Å; I359-I370 HydrophobicContact CG1-CG1 4.48Å; M368-I370 HydrophobicContact SD-CD1 4.25Å; M368-I370 HydrophobicContact SD-CG1 4.22Å; I370-V373 HydrophobicContact CB-CG2 4.41Å; I370-V373 HydrophobicContact CG2-CB 4.49Å; I370-V373 HydrophobicContact CG2-CG2 3.95Å; I370-N377 HydrophobicContact CD1-CB 4.48Å; I370-N377 HydrophobicContact CG2-CB 4.19Å; I370-N377 WeakPolarHBondContact CG2-OD1 3.39Å; I370-L398 HydrophobicContact CD1-CD2 3.72Å |
| 371 | R | 92.9 | Very high | 93.5 | Very high | 158 Ų | 158 | 55.1 Ų | 55.1 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -146.8 | 115.5 | -173.1 | -56.6 | -170.2 | -179.5 | 165.9 | 0.7 | 112.1 | S358 | S358-R371 WeakPolarHBondContact CA-O 3.48Å; S358-R371 PolarHBondContact O-N 2.82Å |
| 372 | P | 93.5 | Very high | 93.6 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | S | Bend | cis | -69.9 | 164.1 | -16.7 | 32.9 | -35.3 | 0 | 0 | 0 | 111.4 | S358 L374 | S358-P372 VanDerWaalsContact CB-O 3.26Å; S358-P372 WeakPolarHBondContact CB-O 3.37Å; P372-L374 HydrophobicContact CG-CD2 4.33Å |
| 373 | V | 92.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -70.8 | 128.5 | 170 | 172.6 | 0 | 0 | 0 | 0 | 110 | L324 E326 N327 S329 T331 I370 V400 | L324-V373 HydrophobicContact CB-CG1 4.38Å; E326-V373 WeakPolarHBondContact CA-O 3.46Å; N327-V373 PolarHBondContact N-O 2.87Å; S329-V373 WeakPolarHBondContact O-CB 3.4Å; S329-V373 PolarHBondContact O-N 2.91Å; T331-V373 HydrophobicContact CG2-CG2 3.92Å; I370-V373 HydrophobicContact CB-CG2 4.41Å; I370-V373 HydrophobicContact CG2-CB 4.49Å; I370-V373 HydrophobicContact CG2-CG2 3.95Å; V373-V400 HydrophobicContact CG1-CB 4.04Å; V373-V400 HydrophobicContact CG1-CG1 3.4Å; V373-V400 HydrophobicContact CG1-CG2 3.43Å; V373-V400 VanDerWaalsContact CG1-CG2 3.43Å | ||
| 374 | L | 92.9 | Very high | 93.9 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | trans | -114.3 | 156.9 | 177.7 | -59.1 | 177 | 0 | 0 | 0 | 111 | N327 P372 S376 N377 | N327-L374 WeakPolarHBondContact OD1-CD2 3.14Å; P372-L374 HydrophobicContact CG-CD2 4.33Å; L374-S376 PolarHBondContact O-N 2.86Å; L374-N377 PolarHBondContact N-OD1 3.16Å; L374-N377 VanDerWaalsContact O-CB 3.31Å; L374-N377 WeakPolarHBondContact O-CB 3.22Å; L374-N377 PolarHBondContact O-N 2.87Å | ||
| 375 | S | 91.4 | Very high | 94.2 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 30% | 0.301 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -56 | -31.9 | 173.4 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | E326 N377 H378 Y402 | E326-S375 WeakPolarHBondContact OE1-CB 3.31Å; E326-S375 PolarHBondContact OE1-N 2.92Å; E326-S375 PolarHBondContact OE1-OG 3.07Å; S375-N377 PolarHBondContact O-N 2.78Å; S375-H378 VanDerWaalsContact O-CB 3.24Å; S375-H378 WeakPolarHBondContact O-CB 3.34Å; S375-H378 PolarHBondContact O-N 3.11Å; S375-H378 VanDerWaalsContact O-N 3.1Å; S375-Y402 VanDerWaalsContact CB-CD1 3.5Å |
| 376 | S | 90.8 | Very high | 94.3 | Very high | 77 Ų | 77 | 41.5 Ų | 41.5 | 54% | 0.538 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -65.5 | -18.4 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | K348 L374 H378 | K348-S376 WeakPolarHBondContact CE-O 3.43Å; K348-S376 PolarHBondContact NZ-O 2.98Å; K348-S376 VanDerWaalsContact NZ-O 3.13Å; L374-S376 PolarHBondContact O-N 2.86Å; S376-H378 VanDerWaalsContact C-N 3.29Å |
| 377 | N | 91.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -80.3 | -7.8 | 174.7 | -54.3 | 135.6 | 0 | 0 | 0 | 112.7 | S358 I370 L374 S375 G379 Y381 V400 | S358-N377 PolarHBondContact OG-OD1 2.98Å; I370-N377 HydrophobicContact CD1-CB 4.48Å; I370-N377 HydrophobicContact CG2-CB 4.19Å; I370-N377 WeakPolarHBondContact CG2-OD1 3.39Å; L374-N377 PolarHBondContact N-OD1 3.16Å; L374-N377 VanDerWaalsContact O-CB 3.31Å; L374-N377 WeakPolarHBondContact O-CB 3.22Å; L374-N377 PolarHBondContact O-N 2.87Å; S375-N377 PolarHBondContact O-N 2.78Å; N377-G379 PolarHBondContact O-N 2.94Å; N377-Y381 WeakPolarHBondContact O-CE2 3.32Å; N377-Y381 PolarHBondContact O-OH 3.24Å; N377-Y381 VanDerWaalsContact O-OH 3.09Å; N377-V400 HydrophobicContact CB-CG2 4.32Å |
| 378 | H | 92.4 | Very high | 93.8 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | trans | -62.3 | 132.8 | 169.5 | -173.5 | 117 | 0 | 0 | 0 | 109.8 | K348 S375 S376 H397 V400 Y402 | K348-H378 WeakPolarHBondContact CE-O 3.46Å; K348-H378 PolarHBondContact NZ-O 2.87Å; S375-H378 VanDerWaalsContact O-CB 3.24Å; S375-H378 WeakPolarHBondContact O-CB 3.34Å; S375-H378 PolarHBondContact O-N 3.11Å; S375-H378 VanDerWaalsContact O-N 3.1Å; S376-H378 VanDerWaalsContact C-N 3.29Å; H378-H397 AromaticContact NE2-CE1 3.71Å; H378-H397 AromaticContact NE2-NE2 3.7Å; H378-V400 HydrophobicContact CB-CB 4.26Å; H378-V400 HydrophobicContact CB-CG2 4.46Å; H378-Y402 HydrophobicContact CB-CE1 4.32Å | ||
| 379 | G | 92.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -172.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N377 L398 | N377-G379 PolarHBondContact O-N 2.94Å; G379-L398 PolarHBondContact N-O 3.08Å; G379-L398 VanDerWaalsContact N-O 3.17Å; G379-L398 PolarHBondContact O-N 2.87Å |
| 380 | N | 95.5 | Very high | 93.6 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.1 | 179.3 | -70.5 | -35.2 | 0 | 0 | 0 | 110.7 | K348 D349 H397 | K348-N380 WeakPolarHBondContact CA-O 3.42Å; D349-N380 PolarHBondContact N-O 2.93Å; D349-N380 PolarHBondContact OD1-N 2.79Å; N380-H397 WeakPolarHBondContact OD1-CB 3.41Å; N380-H397 PolarHBondContact OD1-ND1 3.05Å |
| 381 | Y | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139.2 | 175.7 | -72.8 | -97.1 | 0 | 0 | 0 | 110.3 | L333 M347 K348 L353 M368 N377 A395 L396 L398 | L333-Y381 HydrophobicContact CD1-CD1 3.7Å; L333-Y381 HydrophobicContact CD1-CD2 3.96Å; L333-Y381 HydrophobicContact CD1-CE1 4.13Å; L333-Y381 HydrophobicContact CD1-CE2 4.39Å; L333-Y381 HydrophobicContact CD1-CG 3.59Å; M347-Y381 WeakPolarHBondContact O-CA 3.22Å; K348-Y381 HydrophobicContact CB-CD1 4.45Å; K348-Y381 HydrophobicContact CB-CE1 4.3Å; K348-Y381 HydrophobicContact CD-CE1 4.16Å; K348-Y381 HydrophobicContact CD-CE2 4.34Å; K348-Y381 HydrophobicContact CG-CE1 4.3Å; K348-Y381 HydrophobicContact CG-CE2 4.45Å; L353-Y381 HydrophobicContact CD1-CD1 4.33Å; L353-Y381 HydrophobicContact CD1-CE1 3.87Å; M368-Y381 HydrophobicContact CE-CD1 3.69Å; M368-Y381 HydrophobicContact CE-CE1 3.79Å; M368-Y381 HydrophobicContact SD-CD1 4.1Å; M368-Y381 HydrophobicContact SD-CE1 3.65Å; N377-Y381 WeakPolarHBondContact O-CE2 3.32Å; N377-Y381 PolarHBondContact O-OH 3.24Å; N377-Y381 VanDerWaalsContact O-OH 3.09Å; Y381-A395 CarbonylContact O-C 3.49Å; Y381-A395 VanDerWaalsContact O-CA 3.28Å; Y381-A395 WeakPolarHBondContact O-CA 3.44Å; Y381-L396 PolarHBondContact N-O 3.22Å; Y381-L396 PolarHBondContact O-N 2.9Å; Y381-L398 HydrophobicContact CD2-CB 3.7Å; Y381-L398 HydrophobicContact CD2-CD2 4.36Å; Y381-L398 HydrophobicContact CE2-CB 3.67Å; Y381-L398 HydrophobicContact CE2-CD2 3.71Å; Y381-L398 HydrophobicContact CE2-CG 4.33Å |
| 382 | Q | 96.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.1 | 174.8 | -65.7 | 167.1 | -3.6 | 0 | 0 | 109.2 | W346 M347 T393 A394 A395 | W346-Q382 WeakPolarHBondContact CA-O 3.34Å; M347-Q382 HydrophobicContact CB-CB 4.2Å; M347-Q382 HydrophobicContact CE-CB 3.99Å; M347-Q382 PolarHBondContact N-O 2.03Å; M347-Q382 PolarHBondContact O-N 3.06Å; Q382-T393 HydrophobicContact CB-CG2 4.22Å; Q382-A394 CarbonylContact C-O 3.59Å; Q382-A394 VanDerWaalsContact CA-O 3.23Å; Q382-A394 WeakPolarHBondContact CA-O 3.38Å; Q382-A395 HydrophobicContact CG-CB 4.17Å |
| 383 | C | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 115.1 | 174.5 | 167.8 | 0 | 0 | 0 | 0 | 108.5 | I317 C335 E345 W346 T393 A394 | I317-C383 HydrophobicContact CD1-CB 3.88Å; I317-C383 HydrophobicContact CG1-CB 3.9Å; C335-C383 HydrophobicContact CB-CB 3.64Å; C335-C383 WeakPolarHBondContact CB-SG 3.36Å; C335-C383 WeakPolarHBondContact SG-CB 3.45Å; C335-C383 CovalentContact SG-SG 2.01Å; C335-C383 PolarHBondContact SG-SG 2.96Å; E345-C383 CarbonylContact O-C 3.48Å; E345-C383 WeakPolarHBondContact O-CA 3.3Å; W346-C383 HydrophobicContact CD2-CB 4.19Å; W346-C383 HydrophobicContact CE3-CB 3.9Å; W346-C383 HydrophobicContact CH2-CB 4.29Å; W346-C383 HydrophobicContact CZ3-CB 3.96Å; C383-T393 CarbonylContact O-C 3.56Å; C383-T393 WeakPolarHBondContact O-CA 3.14Å; C383-A394 PolarHBondContact N-O 2.8Å; C383-A394 PolarHBondContact O-N 3.17Å |
| 384 | R | 96.1 | Very high | 94.2 | Very high | 75 Ų | 75 | 43.4 Ų | 43.4 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.5 | 174.5 | -168 | 171.6 | 95.1 | -106 | -6.5 | 109.3 | R344 E345 M347 Q392 | R344-R384 WeakPolarHBondContact CA-O 3.32Å; E345-R384 PolarHBondContact N-O 3.21Å; E345-R384 PolarHBondContact O-N 3.18Å; E345-R384 IonicContact OE1-CZ 3.69Å; E345-R384 IonicContact OE1-NH2 2.98Å; E345-R384 PolarHBondContact OE1-NH2 3.03Å; E345-R384 IonicContact OE2-CZ 3.54Å; E345-R384 IonicContact OE2-NH1 2.95Å; E345-R384 PolarHBondContact OE2-NH1 3Å; E345-R384 IonicContact OE2-NH2 3.08Å; E345-R384 PolarHBondContact OE2-NH2 3.18Å; M347-R384 HydrophobicContact CE-CB 4.25Å; R384-Q392 WeakPolarHBondContact CA-O 3.33Å |
| 385 | V | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.1 | 172.1 | -76.2 | 0 | 0 | 0 | 0 | 109.6 | I312 A315 A337 V341 T343 R344 S391 Q392 | I312-V385 HydrophobicContact CD1-CB 4.44Å; I312-V385 HydrophobicContact CG2-CB 4.49Å; I312-V385 HydrophobicContact CG2-CG2 3.72Å; A315-V385 HydrophobicContact CB-CG2 3.89Å; A337-V385 HydrophobicContact CB-CG2 3.93Å; V341-V385 HydrophobicContact CG1-CB 3.97Å; V341-V385 HydrophobicContact CG1-CG1 3.83Å; V341-V385 HydrophobicContact CG2-CB 4.37Å; V341-V385 HydrophobicContact CG2-CG1 4.49Å; T343-V385 WeakPolarHBondContact O-CA 3.45Å; R344-V385 HydrophobicContact CB-CG1 4.37Å; R344-V385 HydrophobicContact CG-CG1 4Å; V385-S391 CarbonylContact O-C 3.53Å; V385-S391 WeakPolarHBondContact O-CA 3.33Å; V385-Q392 HydrophobicContact CG2-CB 4.09Å; V385-Q392 WeakPolarHBondContact CG2-O 3.37Å; V385-Q392 PolarHBondContact N-O 2.78Å; V385-Q392 PolarHBondContact O-N 2.93Å |
| 386 | S | 95.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 158.5 | 179.5 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | I312 I342 T343 S390 | I312-S386 VanDerWaalsContact CD1-C 3.41Å; I312-S386 VanDerWaalsContact CD1-CA 3.45Å; I342-S386 PolarHBondContact N-O 2.85Å; T343-S386 PolarHBondContact N-O 2.92Å; T343-S386 PolarHBondContact O-N 3.17Å; T343-S386 PolarHBondContact OG1-OG 2.62Å; S386-S390 WeakPolarHBondContact CA-O 3.44Å |
| 387 | N | 92.6 | Very high | 94.8 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 177.6 | 167.9 | 71 | 14.4 | 0 | 0 | 0 | 108.7 | V309 E310 I312 S340 I342 V389 S390 | V309-N387 HydrophobicContact CG1-CB 4.32Å; E310-N387 PolarHBondContact O-ND2 2.94Å; I312-N387 HydrophobicContact CD1-CB 4.05Å; S340-N387 WeakPolarHBondContact O-CB 3.46Å; S340-N387 PolarHBondContact O-ND2 3.08Å; I342-N387 HydrophobicContact CB-CB 4.48Å; I342-N387 HydrophobicContact CD1-CB 4.28Å; I342-N387 HydrophobicContact CG1-CB 3.96Å; N387-V389 PolarHBondContact O-N 2.93Å; N387-V389 WeakPolarHBondContact OD1-CG2 3.47Å; N387-V389 PolarHBondContact OD1-N 2.65Å; N387-V389 VanDerWaalsContact OD1-N 3.12Å; N387-S390 PolarHBondContact N-O 2.75Å; N387-S390 PolarHBondContact O-N 2.86Å; N387-S390 VanDerWaalsContact O-O 3.08Å; N387-S390 PolarHBondContact OD1-N 2.83Å; N387-S390 PolarHBondContact OD1-O 2.89Å; N387-S390 PolarHBondContact OD1-OG 2.9Å |
| 388 | P | 89.8 | Confident | 94.9 | Very high | 105 Ų | 105 | 45.4 Ų | 45.4 | 68% | 0.682 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.3 | -174.5 | -26.7 | 36.3 | 0 | 0 | 0 | 115.1 | I342 | I342-P388 HydrophobicContact CD1-CG 4.21Š|
| 389 | V | 90.3 | Very high | 94.9 | Very high | 83 Ų | 83 | 46 Ų | 46 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -14.6 | -173.6 | -63.3 | 0 | 0 | 0 | 0 | 113.9 | V309 L311 N387 | V309-V389 HydrophobicContact CB-CG2 4.08Å; V309-V389 HydrophobicContact CG1-CG2 4.07Å; L311-V389 HydrophobicContact CD2-CB 4.34Å; L311-V389 HydrophobicContact CD2-CG2 3.99Å; N387-V389 PolarHBondContact O-N 2.93Å; N387-V389 WeakPolarHBondContact OD1-CG2 3.47Å; N387-V389 PolarHBondContact OD1-N 2.65Å; N387-V389 VanDerWaalsContact OD1-N 3.12Å |
| 390 | S | 94.2 | Very high | 95 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 153.4 | -174.1 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | I312 S386 N387 | I312-S390 PolarHBondContact N-OG 2.68Å; S386-S390 WeakPolarHBondContact CA-O 3.44Å; N387-S390 PolarHBondContact N-O 2.75Å; N387-S390 PolarHBondContact O-N 2.86Å; N387-S390 VanDerWaalsContact O-O 3.08Å; N387-S390 PolarHBondContact OD1-N 2.83Å; N387-S390 PolarHBondContact OD1-O 2.89Å; N387-S390 PolarHBondContact OD1-OG 2.9Å |
| 391 | S | 96.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 42.7 Ų | 42.7 | 47% | 0.469 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 135.5 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | V385 | V385-S391 CarbonylContact O-C 3.53Å; V385-S391 WeakPolarHBondContact O-CA 3.33Å |
| 392 | Q | 97.3 | Very high | 94.9 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.5 | 174 | -66.2 | -152.2 | -4.8 | 0 | 0 | 110.9 | I312 A315 R384 V385 | I312-Q392 HydrophobicContact CG2-CB 4.24Å; I312-Q392 HydrophobicContact CG2-CG 4.12Å; I312-Q392 PolarHBondContact O-NE2 2.81Å; A315-Q392 HydrophobicContact CB-CB 3.56Å; R384-Q392 WeakPolarHBondContact CA-O 3.33Å; V385-Q392 HydrophobicContact CG2-CB 4.09Å; V385-Q392 WeakPolarHBondContact CG2-O 3.37Å; V385-Q392 PolarHBondContact N-O 2.78Å; V385-Q392 PolarHBondContact O-N 2.93Å |
| 393 | T | 96.6 | Very high | 94.7 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.9 | 177.4 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | Q382 C383 | Q382-T393 HydrophobicContact CB-CG2 4.22Å; C383-T393 CarbonylContact O-C 3.56Å; C383-T393 WeakPolarHBondContact O-CA 3.14Å |
| 394 | A | 96.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 147.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | A315 I317 Q382 C383 | A315-A394 HydrophobicContact CB-CB 4.2Å; I317-A394 HydrophobicContact CD1-CB 4.18Å; I317-A394 WeakPolarHBondContact CD1-O 3.46Å; I317-A394 HydrophobicContact CG1-CB 3.81Å; Q382-A394 CarbonylContact C-O 3.59Å; Q382-A394 VanDerWaalsContact CA-O 3.23Å; Q382-A394 WeakPolarHBondContact CA-O 3.38Å; C383-A394 PolarHBondContact N-O 2.8Å; C383-A394 PolarHBondContact O-N 3.17Å |
| 395 | A | 96.1 | Very high | 94.4 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y381 Q382 | Y381-A395 CarbonylContact O-C 3.49Å; Y381-A395 VanDerWaalsContact O-CA 3.28Å; Y381-A395 WeakPolarHBondContact O-CA 3.44Å; Q382-A395 HydrophobicContact CG-CB 4.17Å |
| 396 | L | 95.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 132.1 | 177.5 | 176.3 | 75.4 | 0 | 0 | 0 | 109.9 | I317 L333 Y381 | I317-L396 HydrophobicContact CB-CB 3.99Å; I317-L396 HydrophobicContact CB-CD2 4.4Å; I317-L396 HydrophobicContact CD1-CB 4.12Å; I317-L396 HydrophobicContact CG2-CB 4.05Å; I317-L396 HydrophobicContact CG2-CD2 3.68Å; I317-L396 HydrophobicContact CG2-CG 4.49Å; L333-L396 HydrophobicContact CD2-CD2 3.75Å; Y381-L396 PolarHBondContact N-O 3.22Å; Y381-L396 PolarHBondContact O-N 2.9Å |
| 397 | H | 95.1 | Very high | 94.1 | Very high | 95 Ų | 95 | 51.3 Ų | 51.3 | 44% | 0.44 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.5 | 169.1 | -174.7 | 71.6 | 0 | 0 | 0 | 110.3 | H378 N380 | H378-H397 AromaticContact NE2-CE1 3.71Å; H378-H397 AromaticContact NE2-NE2 3.7Å; N380-H397 WeakPolarHBondContact OD1-CB 3.41Å; N380-H397 PolarHBondContact OD1-ND1 3.05Å |
| 398 | L | 93.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115.8 | 177.7 | -172.8 | 67 | 0 | 0 | 0 | 110.3 | L324 L333 I370 G379 Y381 | L324-L398 HydrophobicContact CD1-CD1 3.57Å; L324-L398 HydrophobicContact CD1-CG 4.21Å; L333-L398 HydrophobicContact CD1-CD2 4.46Å; L333-L398 HydrophobicContact CD2-CD1 4.14Å; I370-L398 HydrophobicContact CD1-CD2 3.72Å; G379-L398 PolarHBondContact N-O 3.08Å; G379-L398 VanDerWaalsContact N-O 3.17Å; G379-L398 PolarHBondContact O-N 2.87Å; Y381-L398 HydrophobicContact CD2-CB 3.7Å; Y381-L398 HydrophobicContact CD2-CD2 4.36Å; Y381-L398 HydrophobicContact CE2-CB 3.67Å; Y381-L398 HydrophobicContact CE2-CD2 3.71Å; Y381-L398 HydrophobicContact CE2-CG 4.33Å |
| 399 | T | 93.7 | Very high | 94.4 | Very high | 64 Ų | 64 | 50.8 Ų | 50.8 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 116.6 | 175.5 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | V430 | T399-V430 HydrophobicContact CG2-CG1 4.05Š|
| 400 | V | 93.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.9 | 168.9 | 179.9 | 0 | 0 | 0 | 0 | 109 | E326 V373 N377 H378 Y402 V430 | E326-V400 HydrophobicContact CB-CG1 4.4Å; V373-V400 HydrophobicContact CG1-CB 4.04Å; V373-V400 HydrophobicContact CG1-CG1 3.4Å; V373-V400 HydrophobicContact CG1-CG2 3.43Å; V373-V400 VanDerWaalsContact CG1-CG2 3.43Å; N377-V400 HydrophobicContact CB-CG2 4.32Å; H378-V400 HydrophobicContact CB-CB 4.26Å; H378-V400 HydrophobicContact CB-CG2 4.46Å; V400-Y402 HydrophobicContact CG1-CD1 4.36Å; V400-Y402 VanDerWaalsContact O-CD1 3.25Å; V400-Y402 WeakPolarHBondContact O-CD1 3.24Å; V400-V430 WeakPolarHBondContact O-CG1 3.4Å |
| 401 | N | 94.4 | Very high | 94.5 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.7 | 176.7 | -54.9 | -80.9 | 0 | 0 | 0 | 110.3 | V323 L324 I325 E326 V430 P431 V472 T473 | V323-N401 VanDerWaalsContact CG1-ND2 3.34Å; V323-N401 WeakPolarHBondContact CG1-ND2 3.44Å; L324-N401 VanDerWaalsContact O-CB 3.31Å; L324-N401 WeakPolarHBondContact O-CB 3.32Å; L324-N401 PolarHBondContact O-N 2.85Å; L324-N401 PolarHBondContact O-ND2 2.86Å; I325-N401 WeakPolarHBondContact CA-O 3.29Å; E326-N401 PolarHBondContact N-O 3.26Å; N401-V430 CarbonylContact C-O 3.57Å; N401-V430 WeakPolarHBondContact CA-O 3.46Å; N401-V430 WeakPolarHBondContact CB-O 3.34Å; N401-P431 VanDerWaalsContact OD1-CD 3.28Å; N401-P431 WeakPolarHBondContact OD1-CD 3.38Å; N401-V472 HydrophobicContact CB-CB 4.31Å; N401-V472 HydrophobicContact CB-CG1 3.8Å; N401-T473 HydrophobicContact CB-CG2 4.23Å |
| 402 | Y | 94.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 16% | 0.161 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 168.6 | -175.6 | 60.9 | -95.7 | 0 | 0 | 0 | 111.2 | E326 S375 H378 V400 Y405 V428 S429 V430 N470 | E326-Y402 WeakPolarHBondContact OE2-CB 2.97Å; S375-Y402 VanDerWaalsContact CB-CD1 3.5Å; H378-Y402 HydrophobicContact CB-CE1 4.32Å; V400-Y402 HydrophobicContact CG1-CD1 4.36Å; V400-Y402 VanDerWaalsContact O-CD1 3.25Å; V400-Y402 WeakPolarHBondContact O-CD1 3.24Å; Y402-Y405 HydrophobicContact CD2-CD2 4.34Å; Y402-Y405 HydrophobicContact CD2-CE2 4.16Å; Y402-V428 HydrophobicContact CE2-CG1 3.86Å; Y402-S429 WeakPolarHBondContact O-CA 2.94Å; Y402-S429 PolarHBondContact O-OG 3.04Å; Y402-V430 HydrophobicContact CD1-CB 4.05Å; Y402-V430 HydrophobicContact CD1-CG2 4.31Å; Y402-V430 HydrophobicContact CE1-CB 3.74Å; Y402-V430 HydrophobicContact CE1-CG2 3.52Å; Y402-V430 HydrophobicContact CE2-CG2 4.14Å; Y402-V430 VanDerWaalsContact CZ-CG2 3.42Å; Y402-V430 PolarHBondContact N-O 2.96Å; Y402-V430 PolarHBondContact O-N 3.41Å; Y402-V430 WeakPolarHBondContact OH-CG2 3.48Å; Y402-N470 PolarHBondContact O-ND2 3.08Å |
| 403 | G | 92.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.7 | -173 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y405 V428 T473 | G403-Y405 VanDerWaalsContact N-CZ 3.33Å; G403-V428 WeakPolarHBondContact CA-O 3.24Å; G403-T473 PolarHBondContact O-OG1 3.36Å |
| 404 | P | 93.7 | Very high | 93.4 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -76.1 | 134.2 | 4.9 | 25.9 | -19.9 | 0 | 0 | 0 | 112.1 | A427 V428 A433 A468 N470 K475 | P404-A427 HydrophobicContact CB-CB 3.94Å; P404-V428 CarbonylContact C-O 3.33Å; P404-V428 WeakPolarHBondContact CA-O 3.41Å; P404-A433 HydrophobicContact CB-CB 3.98Å; P404-A433 HydrophobicContact CG-CB 4.43Å; P404-A468 HydrophobicContact CB-CB 3.98Å; P404-A468 HydrophobicContact CG-CB 4.17Å; P404-A468 VanDerWaalsContact CG-O 3.22Å; P404-A468 WeakPolarHBondContact CG-O 3.47Å; P404-N470 HydrophobicContact CG-CB 4.37Å; P404-K475 WeakPolarHBondContact CD-O 3.44Å |
| 405 | Y | 92.8 | Very high | 93.1 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 29% | 0.286 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 161.4 | 175.5 | -53.4 | -45.8 | 0 | 0 | 0 | 110.7 | E326 Y402 G403 I407 V428 | E326-Y405 WeakPolarHBondContact OE2-CE2 3.43Å; E326-Y405 PolarHBondContact OE2-OH 3.47Å; Y402-Y405 HydrophobicContact CD2-CD2 4.34Å; Y402-Y405 HydrophobicContact CD2-CE2 4.16Å; G403-Y405 VanDerWaalsContact N-CZ 3.33Å; Y405-I407 VanDerWaalsContact C-N 3.31Å; Y405-I407 PolarHBondContact O-N 3.49Å; Y405-V428 PolarHBondContact N-O 3.32Å; Y405-V428 PolarHBondContact O-N 3.43Å |
| 406 | N | 93.1 | Very high | 92.8 | Very high | 133 Ų | 133 | 63.3 Ų | 63.3 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 46.7 | 175.6 | -60.3 | -10.8 | 0 | 0 | 0 | 113.4 | S408 V428 | N406-S408 PolarHBondContact O-N 3.06Å; N406-V428 HydrophobicContact CB-CG2 4.5Å |
| 407 | I | 94.5 | Very high | 92.7 | Very high | 77 Ų | 77 | 66.4 Ų | 66.4 | 40% | 0.395 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 122.2 | 177.6 | -53.3 | 169.8 | 0 | 0 | 0 | 108.2 | Y405 T426 A427 A468 | Y405-I407 VanDerWaalsContact C-N 3.31Å; Y405-I407 PolarHBondContact O-N 3.49Å; I407-T426 WeakPolarHBondContact CA-O 3.33Å; I407-A427 HydrophobicContact CG1-CB 4.04Å; I407-A468 HydrophobicContact CD1-CB 3.82Å; I407-A468 HydrophobicContact CG1-CB 3.92Å; I407-A468 HydrophobicContact CG2-CB 4.26Å |
| 408 | S | 93.8 | Very high | 92.4 | Very high | 49 Ų | 49 | 63.8 Ų | 63.8 | 34% | 0.343 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 143.9 | -178.9 | 64 | 0 | 0 | 0 | 0 | 111.3 | N406 C425 T426 | N406-S408 PolarHBondContact O-N 3.06Å; S408-C425 CarbonylContact O-C 3.55Å; S408-C425 WeakPolarHBondContact O-CA 3.23Å; S408-T426 PolarHBondContact N-O 2.85Å; S408-T426 PolarHBondContact O-N 2.87Å; S408-T426 PolarHBondContact OG-OG1 2.92Å |
| 409 | V | 94.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 38% | 0.376 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.4 | 172.5 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | L423 L424 W437 C466 | V409-L423 HydrophobicContact CG1-CB 4.04Å; V409-L424 CarbonylContact C-O 3.59Å; V409-L424 WeakPolarHBondContact CA-O 3.32Å; V409-W437 HydrophobicContact CB-CH2 4.41Å; V409-W437 HydrophobicContact CG1-CH2 3.74Å; V409-W437 HydrophobicContact CG1-CZ3 3.93Å; V409-W437 HydrophobicContact CG2-CH2 3.85Å; V409-W437 HydrophobicContact CG2-CZ3 3.84Å; V409-C466 HydrophobicContact CG2-CB 3.6Å |
| 410 | I | 94.2 | Very high | 92.3 | Very high | 94 Ų | 94 | 73 Ų | 73 | 48% | 0.482 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.7 | 179.8 | -55.4 | 174.2 | 0 | 0 | 0 | 107.7 | L424 T426 | I410-L424 HydrophobicContact CB-CB 4.41Å; I410-L424 PolarHBondContact N-O 3.46Å; I410-L424 PolarHBondContact O-N 3.43Å; I410-T426 HydrophobicContact CD1-CG2 3.84Å |
| 411 | G | 91.4 | Very high | 92.3 | Very high | 41 Ų | 41 | 73.6 Ų | 73.6 | 42% | 0.423 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 174.7 | 171.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S413 | G411-S413 PolarHBondContact O-N 2.76Š|
| 412 | P | 90.7 | Very high | 92.4 | Very high | 66 Ų | 66 | 75.5 Ų | 75.5 | 43% | 0.429 | 43% | 0.43 | S | S | . | . | trans | -68.3 | 131.1 | 178.6 | 29 | -33.7 | 0 | 0 | 0 | 110.4 | A414 V421 | P412-A414 VanDerWaalsContact C-N 3.25Å; P412-A414 PolarHBondContact O-N 2.73Å; P412-V421 HydrophobicContact CG-CG1 3.8Å | ||
| 413 | S | 88.6 | Confident | 92.4 | Very high | 136 Ų | 136 | 74.2 Ų | 74.2 | 95% | 0.951 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -74.6 | -16.1 | 174.9 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | G411 | G411-S413 PolarHBondContact O-N 2.76Š|
| 414 | A | 89.2 | Confident | 92.6 | Very high | 84 Ų | 84 | 77.2 Ų | 77.2 | 69% | 0.694 | 44% | 0.441 | S | S | * | . | trans | -150 | 147.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P412 | P412-A414 VanDerWaalsContact C-N 3.25Å; P412-A414 PolarHBondContact O-N 2.73Å | ||
| 415 | A | 90.4 | Very high | 92.6 | Very high | 41 Ų | 41 | 76.7 Ų | 76.7 | 34% | 0.339 | 44% | 0.438 | S | S | . | . | trans | -150.7 | 159.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V421 L456 | A415-V421 HydrophobicContact CB-CG2 3.57Å; A415-L456 HydrophobicContact CB-CD2 3.94Å; A415-L456 VanDerWaalsContact O-CD2 3.28Å; A415-L456 WeakPolarHBondContact O-CD2 3.36Å | ||
| 416 | W | 89.9 | Confident | 92.7 | Very high | 196 Ų | 196 | 75.6 Ų | 75.6 | 74% | 0.742 | 44% | 0.439 | S | S | * | . | trans | -70.6 | 146.3 | 179.6 | -66.2 | 105.8 | 0 | 0 | 0 | 111.6 | G418 H419 | W416-G418 PolarHBondContact O-N 3.04Å; W416-H419 WeakPolarHBondContact O-CB 3.22Å; W416-H419 PolarHBondContact O-N 2.88Å; W416-H419 PolarHBondContact O-ND1 2.95Å | ||
| 417 | P | 92 | Very high | 92.8 | Very high | 105 Ų | 105 | 70.5 Ų | 70.5 | 68% | 0.682 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 141 | 173 | -25.6 | 34.3 | 0 | 0 | 0 | 111.7 | H419 | P417-H419 VanDerWaalsContact C-N 3.3Å; P417-H419 PolarHBondContact O-N 3.32Å |
| 418 | G | 88.6 | Confident | 92.8 | Very high | 40 Ų | 40 | 70.2 Ų | 70.2 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -8.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | W416 L456 | W416-G418 PolarHBondContact O-N 3.04Å; G418-L456 PolarHBondContact N-O 2.89Å |
| 419 | H | 92.8 | Very high | 92.8 | Very high | 107 Ų | 107 | 68.7 Ų | 68.7 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | trans | -81.4 | 153.4 | 177.2 | -72.8 | 59.7 | 0 | 0 | 0 | 112.1 | W416 P417 L456 | W416-H419 WeakPolarHBondContact O-CB 3.22Å; W416-H419 PolarHBondContact O-N 2.88Å; W416-H419 PolarHBondContact O-ND1 2.95Å; P417-H419 VanDerWaalsContact C-N 3.3Å; P417-H419 PolarHBondContact O-N 3.32Å; H419-L456 WeakPolarHBondContact O-CB 3Å; H419-L456 PolarHBondContact O-N 3.46Å | ||
| 420 | R | 93.9 | Very high | 92.8 | Very high | 159 Ų | 159 | 67.1 Ų | 67.1 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | trans | -78.3 | 127.1 | 170.9 | -174.7 | 176.4 | -165.7 | -160.7 | 6.3 | 109.8 | V452 I453 E454 | R420-V452 HydrophobicContact CG-CG1 4.23Å; R420-I453 CarbonylContact C-O 3.56Å; R420-I453 VanDerWaalsContact CA-O 3.31Å; R420-I453 WeakPolarHBondContact CA-O 3.38Å; R420-E454 WeakPolarHBondContact CD-OE2 3.33Å; R420-E454 IonicContact CZ-OE1 2.94Å; R420-E454 IonicContact CZ-OE2 3.4Å; R420-E454 IonicContact NE-OE1 3.05Å; R420-E454 PolarHBondContact NE-OE1 3.41Å; R420-E454 IonicContact NE-OE2 3.63Å; R420-E454 PolarHBondContact NE-OE2 2.97Å; R420-E454 IonicContact NH2-OE1 2.8Å; R420-E454 PolarHBondContact NH2-OE1 3.02Å; R420-E454 IonicContact NH2-OE2 3.74Å | ||
| 421 | V | 93.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.7 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 109.5 | P412 A415 L423 I453 L456 | P412-V421 HydrophobicContact CG-CG1 3.8Å; A415-V421 HydrophobicContact CB-CG2 3.57Å; V421-L423 HydrophobicContact CG1-CD2 4.14Å; V421-L423 HydrophobicContact CG1-CG 4.48Å; V421-I453 HydrophobicContact CB-CB 4.21Å; V421-I453 HydrophobicContact CB-CD1 4.27Å; V421-I453 HydrophobicContact CG1-CD1 4.3Å; V421-I453 PolarHBondContact N-O 2.83Å; V421-I453 PolarHBondContact O-N 2.82Å; V421-L456 HydrophobicContact CG2-CB 4.48Å; V421-L456 HydrophobicContact CG2-CD1 4.42Å; V421-L456 HydrophobicContact CG2-CD2 4.37Å |
| 422 | T | 94.9 | Very high | 92.9 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.8 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | M450 F451 V452 | T422-M450 HydrophobicContact CG2-CB 4.29Å; T422-M450 HydrophobicContact CG2-CG 4.39Å; T422-M450 HydrophobicContact CG2-SD 4.3Å; T422-F451 WeakPolarHBondContact CA-O 3.49Å; T422-V452 HydrophobicContact CG2-CG2 4.19Å |
| 423 | L | 95.2 | Very high | 93 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.9 | 170.2 | -52.9 | 177.9 | 0 | 0 | 0 | 108.4 | V409 V421 W437 M450 F451 Y464 | V409-L423 HydrophobicContact CG1-CB 4.04Å; V421-L423 HydrophobicContact CG1-CD2 4.14Å; V421-L423 HydrophobicContact CG1-CG 4.48Å; L423-W437 HydrophobicContact CB-CH2 3.64Å; L423-W437 HydrophobicContact CB-CZ2 4.45Å; L423-W437 HydrophobicContact CB-CZ3 4.07Å; L423-W437 HydrophobicContact CD1-CZ3 4.22Å; L423-M450 CarbonylContact O-C 3.51Å; L423-M450 WeakPolarHBondContact O-CA 3.44Å; L423-F451 HydrophobicContact CB-CB 4.32Å; L423-F451 PolarHBondContact N-O 3.21Å; L423-F451 PolarHBondContact O-N 2.83Å; L423-Y464 HydrophobicContact CD1-CD1 3.95Å; L423-Y464 HydrophobicContact CD1-CD2 3.89Å; L423-Y464 HydrophobicContact CD1-CG 3.55Å |
| 424 | L | 95.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 34% | 0.335 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.9 | 178.7 | 175.4 | 67.2 | 0 | 0 | 0 | 109.6 | V409 I410 T426 M450 | V409-L424 CarbonylContact C-O 3.59Å; V409-L424 WeakPolarHBondContact CA-O 3.32Å; I410-L424 HydrophobicContact CB-CB 4.41Å; I410-L424 PolarHBondContact N-O 3.46Å; I410-L424 PolarHBondContact O-N 3.43Å; L424-T426 HydrophobicContact CD2-CG2 3.92Å; L424-T426 HydrophobicContact CG-CG2 3.9Å; L424-M450 HydrophobicContact CD1-CG 3.88Å |
| 425 | C | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.2 | 170.2 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | S408 F435 W437 S449 C466 | S408-C425 CarbonylContact O-C 3.55Å; S408-C425 WeakPolarHBondContact O-CA 3.23Å; C425-F435 HydrophobicContact CB-CD1 3.97Å; C425-F435 HydrophobicContact CB-CE1 4.25Å; C425-F435 WeakPolarHBondContact SG-CD1 3.21Å; C425-W437 HydrophobicContact CB-CH2 4.02Å; C425-W437 HydrophobicContact CB-CZ2 3.49Å; C425-W437 VanDerWaalsContact CB-CZ2 3.49Å; C425-S449 PolarHBondContact N-O 2.87Å; C425-C466 HydrophobicContact CB-CB 3.62Å; C425-C466 WeakPolarHBondContact CB-SG 3.32Å; C425-C466 WeakPolarHBondContact SG-CB 3.43Å; C425-C466 CovalentContact SG-SG 2.01Å; C425-C466 PolarHBondContact SG-SG 3.34Å |
| 426 | T | 94.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 31% | 0.307 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.5 | 177.2 | 66.4 | 0 | 0 | 0 | 0 | 110.1 | I407 S408 I410 L424 | I407-T426 WeakPolarHBondContact CA-O 3.33Å; S408-T426 PolarHBondContact N-O 2.85Å; S408-T426 PolarHBondContact O-N 2.87Å; S408-T426 PolarHBondContact OG-OG1 2.92Å; I410-T426 HydrophobicContact CD1-CG2 3.84Å; L424-T426 HydrophobicContact CD2-CG2 3.92Å; L424-T426 HydrophobicContact CG-CG2 3.9Å |
| 427 | A | 94.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P404 I407 S429 A433 F435 A468 | P404-A427 HydrophobicContact CB-CB 3.94Å; I407-A427 HydrophobicContact CG1-CB 4.04Å; A427-S429 PolarHBondContact O-N 3.21Å; A427-A433 HydrophobicContact CB-CB 4.5Å; A427-F435 HydrophobicContact CB-CE1 3.98Å; A427-F435 HydrophobicContact CB-CZ 4.28Å; A427-A468 HydrophobicContact CB-CB 3.75Å |
| 428 | V | 94.1 | Very high | 94.2 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 109.1 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | Y402 G403 P404 Y405 N406 | Y402-V428 HydrophobicContact CE2-CG1 3.86Å; G403-V428 WeakPolarHBondContact CA-O 3.24Å; P404-V428 CarbonylContact C-O 3.33Å; P404-V428 WeakPolarHBondContact CA-O 3.41Å; Y405-V428 PolarHBondContact N-O 3.32Å; Y405-V428 PolarHBondContact O-N 3.43Å; N406-V428 HydrophobicContact CB-CG2 4.5Å |
| 429 | S | 94.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 49 Ų | 49 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 139.9 | -173.7 | -171 | 0 | 0 | 0 | 0 | 112.2 | Y402 A427 P431 N470 | Y402-S429 WeakPolarHBondContact O-CA 2.94Å; Y402-S429 PolarHBondContact O-OG 3.04Å; A427-S429 PolarHBondContact O-N 3.21Å; S429-P431 CarbonylContact C-O 3.48Å; S429-P431 WeakPolarHBondContact CB-O 3.26Å; S429-P431 CarbonylContact O-C 3.54Å; S429-P431 PolarHBondContact OG-O 2.77Å; S429-N470 PolarHBondContact OG-ND2 3Å |
| 430 | V | 94.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.4 | 165.9 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | T399 V400 N401 Y402 N470 | T399-V430 HydrophobicContact CG2-CG1 4.05Å; V400-V430 WeakPolarHBondContact O-CG1 3.4Å; N401-V430 CarbonylContact C-O 3.57Å; N401-V430 WeakPolarHBondContact CA-O 3.46Å; N401-V430 WeakPolarHBondContact CB-O 3.34Å; Y402-V430 HydrophobicContact CD1-CB 4.05Å; Y402-V430 HydrophobicContact CD1-CG2 4.31Å; Y402-V430 HydrophobicContact CE1-CB 3.74Å; Y402-V430 HydrophobicContact CE1-CG2 3.52Å; Y402-V430 HydrophobicContact CE2-CG2 4.14Å; Y402-V430 VanDerWaalsContact CZ-CG2 3.42Å; Y402-V430 PolarHBondContact N-O 2.96Å; Y402-V430 PolarHBondContact O-N 3.41Å; Y402-V430 WeakPolarHBondContact OH-CG2 3.48Å; V430-N470 PolarHBondContact O-ND2 2.73Å |
| 431 | P | 94 | Very high | 94.3 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | S | Bend | cis | -60.5 | 170.7 | -11.4 | 31.2 | -38.2 | 0 | 0 | 0 | 111.8 | N401 S429 A433 V472 | N401-P431 VanDerWaalsContact OD1-CD 3.28Å; N401-P431 WeakPolarHBondContact OD1-CD 3.38Å; S429-P431 CarbonylContact C-O 3.48Å; S429-P431 WeakPolarHBondContact CB-O 3.26Å; S429-P431 CarbonylContact O-C 3.54Å; S429-P431 PolarHBondContact OG-O 2.77Å; P431-A433 PolarHBondContact O-N 2.88Å; P431-V472 HydrophobicContact CG-CB 4.46Å; P431-V472 HydrophobicContact CG-CG2 3.69Å |
| 432 | P | 92.9 | Very high | 94.2 | Very high | 114 Ų | 114 | 49 Ų | 49 | 74% | 0.74 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 139.8 | 174.9 | -27.6 | 35.5 | 0 | 0 | 0 | 112.2 | ||
| 433 | A | 94.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 150.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | P404 A427 P431 F435 A468 R469 | P404-A433 HydrophobicContact CB-CB 3.98Å; P404-A433 HydrophobicContact CG-CB 4.43Å; A427-A433 HydrophobicContact CB-CB 4.5Å; P431-A433 PolarHBondContact O-N 2.88Å; A433-F435 HydrophobicContact CB-CZ 4.36Å; A433-F435 WeakPolarHBondContact O-CD2 3.39Å; A433-F435 VanDerWaalsContact O-CE2 3.26Å; A433-F435 WeakPolarHBondContact O-CE2 3.22Å; A433-A468 HydrophobicContact CB-CB 3.96Å; A433-R469 CarbonylContact C-O 3.54Å; A433-R469 WeakPolarHBondContact CA-O 3.47Å |
| 434 | N | 94.3 | Very high | 93.9 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.9 | 167.3 | -72.8 | -4.5 | 0 | 0 | 0 | 109.4 | A468 R469 | N434-A468 CarbonylContact O-C 3.54Å; N434-A468 VanDerWaalsContact O-CA 3.29Å; N434-A468 WeakPolarHBondContact O-CA 3.45Å; N434-R469 PolarHBondContact N-O 2.78Å; N434-R469 PolarHBondContact O-N 3.49Å |
| 435 | F | 94.7 | Very high | 93.6 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 149 | -176.7 | -61.4 | -78.5 | 0 | 0 | 0 | 111.2 | C425 A427 A433 N447 T467 A468 | C425-F435 HydrophobicContact CB-CD1 3.97Å; C425-F435 HydrophobicContact CB-CE1 4.25Å; C425-F435 WeakPolarHBondContact SG-CD1 3.21Å; A427-F435 HydrophobicContact CB-CE1 3.98Å; A427-F435 HydrophobicContact CB-CZ 4.28Å; A433-F435 HydrophobicContact CB-CZ 4.36Å; A433-F435 WeakPolarHBondContact O-CD2 3.39Å; A433-F435 VanDerWaalsContact O-CE2 3.26Å; A433-F435 WeakPolarHBondContact O-CE2 3.22Å; F435-N447 CarbonylContact O-C 3.27Å; F435-N447 VanDerWaalsContact O-C 3.27Å; F435-N447 WeakPolarHBondContact O-CA 3.46Å; F435-T467 CarbonylContact C-O 3.56Å; F435-T467 VanDerWaalsContact CA-O 3.3Å; F435-T467 WeakPolarHBondContact CA-O 3.35Å; F435-A468 HydrophobicContact CD1-CB 3.72Å; F435-A468 HydrophobicContact CE1-CB 3.63Å |
| 436 | S | 94.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149.2 | 166.2 | 75 | 0 | 0 | 0 | 0 | 111.3 | V446 C466 T467 | S436-V446 WeakPolarHBondContact CA-O 3.39Å; S436-C466 WeakPolarHBondContact O-CA 3.5Å; S436-T467 PolarHBondContact N-O 3.21Å; S436-T467 PolarHBondContact O-N 2.93Å; S436-T467 PolarHBondContact O-OG1 3.34Å; S436-T467 PolarHBondContact OG-OG1 2.88Å |
| 437 | W | 96.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.015 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.5 | -172.9 | -68.5 | 84.7 | 0 | 0 | 0 | 112.9 | V409 L423 C425 T444 V446 T448 F451 C466 | V409-W437 HydrophobicContact CB-CH2 4.41Å; V409-W437 HydrophobicContact CG1-CH2 3.74Å; V409-W437 HydrophobicContact CG1-CZ3 3.93Å; V409-W437 HydrophobicContact CG2-CH2 3.85Å; V409-W437 HydrophobicContact CG2-CZ3 3.84Å; L423-W437 HydrophobicContact CB-CH2 3.64Å; L423-W437 HydrophobicContact CB-CZ2 4.45Å; L423-W437 HydrophobicContact CB-CZ3 4.07Å; L423-W437 HydrophobicContact CD1-CZ3 4.22Å; C425-W437 HydrophobicContact CB-CH2 4.02Å; C425-W437 HydrophobicContact CB-CZ2 3.49Å; C425-W437 VanDerWaalsContact CB-CZ2 3.49Å; W437-T444 VanDerWaalsContact CB-OG1 3.29Å; W437-T444 WeakPolarHBondContact CB-OG1 3.5Å; W437-T444 PolarHBondContact O-N 2.87Å; W437-T444 PolarHBondContact O-OG1 2.89Å; W437-V446 HydrophobicContact CB-CB 4.33Å; W437-V446 HydrophobicContact CG-CB 4.46Å; W437-V446 PolarHBondContact N-O 3.29Å; W437-T448 PolarHBondContact NE1-O 3.22Å; W437-F451 HydrophobicContact CB-CD2 3.67Å; W437-F451 HydrophobicContact CB-CE2 4.11Å; W437-F451 HydrophobicContact CD2-CB 3.69Å; W437-F451 AromaticContact CD2-CD2 3.93Å; W437-F451 HydrophobicContact CD2-CD2 3.93Å; W437-F451 HydrophobicContact CD2-CG 4.15Å; W437-F451 HydrophobicContact CE3-CB 4Å; W437-F451 HydrophobicContact CE3-CD2 4.33Å; W437-F451 HydrophobicContact CE3-CG 4.32Å; W437-F451 HydrophobicContact CG-CB 4.17Å; W437-F451 AromaticContact CG-CD2 3.64Å; W437-F451 HydrophobicContact CG-CD2 3.64Å; W437-F451 HydrophobicContact CG-CG 4.32Å; W437-F451 HydrophobicContact CH2-CB 4.06Å; W437-F451 HydrophobicContact CZ2-CB 3.77Å; W437-F451 HydrophobicContact CZ3-CB 4.18Å; W437-C466 HydrophobicContact CD2-CB 4.01Å; W437-C466 HydrophobicContact CE3-CB 3.92Å; W437-C466 HydrophobicContact CH2-CB 4.03Å; W437-C466 HydrophobicContact CZ2-CB 4.11Å; W437-C466 HydrophobicContact CZ3-CB 3.92Å |
| 438 | T | 95.8 | Very high | 93.3 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.1 | 167.5 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | N442 Y464 T465 | T438-N442 CarbonylContact C-O 3.47Å; T438-N442 WeakPolarHBondContact CA-O 3.22Å; T438-N442 WeakPolarHBondContact CB-O 3.39Å; T438-Y464 WeakPolarHBondContact O-CA 3.25Å; T438-T465 PolarHBondContact N-O 2.87Å; T438-T465 PolarHBondContact O-N 3.2Å; T438-T465 WeakPolarHBondContact OG1-CB 3.27Å; T438-T465 PolarHBondContact OG1-O 3.2Å |
| 439 | F | 94.6 | Very high | 93.2 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118.7 | 175 | 174.5 | -115.7 | 0 | 0 | 0 | 108.7 | G441 N442 T444 K459 N463 Y464 | F439-G441 PolarHBondContact O-N 2.98Å; F439-G441 VanDerWaalsContact O-N 3.13Å; F439-N442 PolarHBondContact N-O 2.62Å; F439-N442 PolarHBondContact O-N 2.78Å; F439-T444 HydrophobicContact CB-CG2 3.6Å; F439-K459 WeakPolarHBondContact CZ-O 3.43Å; F439-N463 WeakPolarHBondContact CA-O 3.42Å; F439-Y464 HydrophobicContact CB-CD1 4.45Å; F439-Y464 HydrophobicContact CB-CE1 4.34Å; F439-Y464 AromaticContact CD2-CD1 3.84Å; F439-Y464 HydrophobicContact CD2-CD1 3.84Å; F439-Y464 HydrophobicContact CD2-CD2 4.15Å; F439-Y464 AromaticContact CD2-CE1 3.41Å; F439-Y464 HydrophobicContact CD2-CE1 3.41Å; F439-Y464 VanDerWaalsContact CD2-CE1 3.41Å; F439-Y464 AromaticContact CD2-CE2 3.75Å; F439-Y464 HydrophobicContact CD2-CE2 3.75Å; F439-Y464 HydrophobicContact CD2-CG 4.19Å; F439-Y464 AromaticContact CD2-CZ 3.36Å; F439-Y464 HydrophobicContact CE2-CD2 4.37Å; F439-Y464 AromaticContact CE2-CE1 3.99Å; F439-Y464 HydrophobicContact CE2-CE1 3.99Å; F439-Y464 AromaticContact CE2-CE2 3.65Å; F439-Y464 HydrophobicContact CE2-CE2 3.65Å; F439-Y464 AromaticContact CE2-CZ 3.43Å; F439-Y464 VanDerWaalsContact CE2-CZ 3.43Å; F439-Y464 WeakPolarHBondContact CE2-OH 3.41Å; F439-Y464 HydrophobicContact CG-CE1 4.11Å |
| 440 | N | 92.6 | Very high | 93.3 | Very high | 90 Ų | 90 | 68.7 Ų | 68.7 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 35.2 | -173.2 | -66.3 | -28.8 | 0 | 0 | 0 | 113.3 | G462 N463 | N440-G462 VanDerWaalsContact OD1-CA 3.26Å; N440-G462 WeakPolarHBondContact OD1-CA 3.19Å; N440-N463 PolarHBondContact N-O 2.95Å; N440-N463 PolarHBondContact OD1-N 2.95Å |
| 441 | G | 89.3 | Confident | 93.3 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -9.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F439 | F439-G441 PolarHBondContact O-N 2.98Å; F439-G441 VanDerWaalsContact O-N 3.13Å |
| 442 | N | 92.4 | Very high | 93.3 | Very high | 123 Ų | 123 | 69 Ų | 69 | 66% | 0.658 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 142 | 177.9 | -71 | -9.3 | 0 | 0 | 0 | 111.6 | T438 F439 | T438-N442 CarbonylContact C-O 3.47Å; T438-N442 WeakPolarHBondContact CA-O 3.22Å; T438-N442 WeakPolarHBondContact CB-O 3.39Å; F439-N442 PolarHBondContact N-O 2.62Å; F439-N442 PolarHBondContact O-N 2.78Å |
| 443 | E | 91.9 | Very high | 93.3 | Very high | 147 Ų | 147 | 64.2 Ų | 64.2 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 137.5 | 175.5 | -69.8 | -167.8 | 171.4 | 0 | 0 | 111.9 | H445 | E443-H445 IonicContact OE2-CE1 3.85Å |
| 444 | T | 91.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 69.4 Ų | 69.4 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | trans | -105.3 | -5.6 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | W437 F439 V446 F451 | W437-T444 VanDerWaalsContact CB-OG1 3.29Å; W437-T444 WeakPolarHBondContact CB-OG1 3.5Å; W437-T444 PolarHBondContact O-N 2.87Å; W437-T444 PolarHBondContact O-OG1 2.89Å; F439-T444 HydrophobicContact CB-CG2 3.6Å; T444-V446 PolarHBondContact O-N 2.94Å; T444-V446 PolarHBondContact OG1-N 3.41Å; T444-F451 HydrophobicContact CG2-CE2 3.8Å; T444-F451 HydrophobicContact CG2-CZ 4.2Å; T444-F451 WeakPolarHBondContact OG1-CE2 3.26Å | ||
| 445 | H | 90.1 | Very high | 93.1 | Very high | 148 Ų | 148 | 71 Ų | 71 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | trans | 57.1 | 9 | -172.5 | -54.7 | -63 | 0 | 0 | 0 | 115.7 | E443 N447 | E443-H445 IonicContact OE2-CE1 3.85Å; H445-N447 PolarHBondContact O-N 2.92Å | ||
| 446 | V | 92.1 | Very high | 92.9 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 24% | 0.242 | 38% | 0.383 | C | S | . | . | trans | -77.1 | 113.5 | 172.3 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | S436 W437 T444 T448 F451 | S436-V446 WeakPolarHBondContact CA-O 3.39Å; W437-V446 HydrophobicContact CB-CB 4.33Å; W437-V446 HydrophobicContact CG-CB 4.46Å; W437-V446 PolarHBondContact N-O 3.29Å; T444-V446 PolarHBondContact O-N 2.94Å; T444-V446 PolarHBondContact OG1-N 3.41Å; V446-T448 WeakPolarHBondContact CG1-OG1 3.5Å; V446-F451 HydrophobicContact CB-CD2 3.82Å; V446-F451 HydrophobicContact CB-CE2 4.07Å; V446-F451 HydrophobicContact CG1-CD2 3.96Å; V446-F451 HydrophobicContact CG2-CD2 3.72Å; V446-F451 HydrophobicContact CG2-CE2 3.57Å | ||
| 447 | N | 92.1 | Very high | 92.9 | Very high | 120 Ų | 120 | 72.5 Ų | 72.5 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | trans | -108.5 | 17.9 | -176 | -64.9 | -15.7 | 0 | 0 | 0 | 113.6 | F435 H445 | F435-N447 CarbonylContact O-C 3.27Å; F435-N447 VanDerWaalsContact O-C 3.27Å; F435-N447 WeakPolarHBondContact O-CA 3.46Å; H445-N447 PolarHBondContact O-N 2.92Å | ||
| 448 | T | 92.9 | Very high | 92.4 | Very high | 81 Ų | 81 | 76.3 Ų | 76.3 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -103.9 | 160.1 | 179.5 | 48 | 0 | 0 | 0 | 0 | 111.2 | W437 V446 M450 | W437-T448 PolarHBondContact NE1-O 3.22Å; V446-T448 WeakPolarHBondContact CG1-OG1 3.5Å; T448-M450 PolarHBondContact O-N 2.89Å; T448-M450 PolarHBondContact OG1-O 2.75Å |
| 449 | S | 93.5 | Very high | 92 | Very high | 46 Ų | 46 | 81.8 Ų | 81.8 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -63.5 | -20.7 | 173.1 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | C425 | C425-S449 PolarHBondContact N-O 2.87Š|
| 450 | M | 94.8 | Very high | 91.8 | Very high | 97 Ų | 97 | 81.1 Ų | 81.1 | 48% | 0.478 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.8 | 176.8 | -63.6 | -175.1 | -64.6 | 0 | 0 | 111.3 | T422 L423 L424 T448 | T422-M450 HydrophobicContact CG2-CB 4.29Å; T422-M450 HydrophobicContact CG2-CG 4.39Å; T422-M450 HydrophobicContact CG2-SD 4.3Å; L423-M450 CarbonylContact O-C 3.51Å; L423-M450 WeakPolarHBondContact O-CA 3.44Å; L424-M450 HydrophobicContact CD1-CG 3.88Å; T448-M450 PolarHBondContact O-N 2.89Å; T448-M450 PolarHBondContact OG1-O 2.75Å |
| 451 | F | 94.8 | Very high | 91.7 | Very high | 24 Ų | 24 | 83.1 Ų | 83.1 | 11% | 0.105 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.4 | 166.3 | -169 | -80.3 | 0 | 0 | 0 | 108.9 | T422 L423 W437 T444 V446 I453 Y464 | T422-F451 WeakPolarHBondContact CA-O 3.49Å; L423-F451 HydrophobicContact CB-CB 4.32Å; L423-F451 PolarHBondContact N-O 3.21Å; L423-F451 PolarHBondContact O-N 2.83Å; W437-F451 HydrophobicContact CB-CD2 3.67Å; W437-F451 HydrophobicContact CB-CE2 4.11Å; W437-F451 HydrophobicContact CD2-CB 3.69Å; W437-F451 AromaticContact CD2-CD2 3.93Å; W437-F451 HydrophobicContact CD2-CD2 3.93Å; W437-F451 HydrophobicContact CD2-CG 4.15Å; W437-F451 HydrophobicContact CE3-CB 4Å; W437-F451 HydrophobicContact CE3-CD2 4.33Å; W437-F451 HydrophobicContact CE3-CG 4.32Å; W437-F451 HydrophobicContact CG-CB 4.17Å; W437-F451 AromaticContact CG-CD2 3.64Å; W437-F451 HydrophobicContact CG-CD2 3.64Å; W437-F451 HydrophobicContact CG-CG 4.32Å; W437-F451 HydrophobicContact CH2-CB 4.06Å; W437-F451 HydrophobicContact CZ2-CB 3.77Å; W437-F451 HydrophobicContact CZ3-CB 4.18Å; T444-F451 HydrophobicContact CG2-CE2 3.8Å; T444-F451 HydrophobicContact CG2-CZ 4.2Å; T444-F451 WeakPolarHBondContact OG1-CE2 3.26Å; V446-F451 HydrophobicContact CB-CD2 3.82Å; V446-F451 HydrophobicContact CB-CE2 4.07Å; V446-F451 HydrophobicContact CG1-CD2 3.96Å; V446-F451 HydrophobicContact CG2-CD2 3.72Å; V446-F451 HydrophobicContact CG2-CE2 3.57Å; F451-I453 HydrophobicContact CD1-CG1 4.09Å; F451-I453 HydrophobicContact CE1-CG1 3.84Å; F451-Y464 HydrophobicContact CD1-CD1 4.08Å; F451-Y464 AromaticContact CD1-CE1 3.97Å; F451-Y464 HydrophobicContact CD1-CE1 3.97Å; F451-Y464 AromaticContact CE1-CD1 3.9Å; F451-Y464 HydrophobicContact CE1-CD1 3.9Å; F451-Y464 AromaticContact CE1-CE1 3.41Å; F451-Y464 HydrophobicContact CE1-CE1 3.41Å; F451-Y464 VanDerWaalsContact CE1-CE1 3.41Å; F451-Y464 HydrophobicContact CZ-CD1 4.24Å; F451-Y464 AromaticContact CZ-CE1 3.86Å; F451-Y464 HydrophobicContact CZ-CE1 3.86Å |
| 452 | V | 94.3 | Very high | 91.8 | Very high | 54 Ų | 54 | 81.7 Ų | 81.7 | 33% | 0.327 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123 | -173.7 | -174 | 0 | 0 | 0 | 0 | 110.1 | R420 T422 E454 | R420-V452 HydrophobicContact CG-CG1 4.23Å; T422-V452 HydrophobicContact CG2-CG2 4.19Å; V452-E454 HydrophobicContact CG1-CG 4.44Å; V452-E454 VanDerWaalsContact CG1-OE1 3.28Å; V452-E454 WeakPolarHBondContact CG1-OE1 3.28Å |
| 453 | I | 93.3 | Very high | 91.9 | Very high | 12 Ų | 12 | 81.7 Ų | 81.7 | 6% | 0.062 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 102.9 | 169.4 | -54.8 | 166.1 | 0 | 0 | 0 | 106 | R420 V421 F451 K455 L456 N460 Y464 | R420-I453 CarbonylContact C-O 3.56Å; R420-I453 VanDerWaalsContact CA-O 3.31Å; R420-I453 WeakPolarHBondContact CA-O 3.38Å; V421-I453 HydrophobicContact CB-CB 4.21Å; V421-I453 HydrophobicContact CB-CD1 4.27Å; V421-I453 HydrophobicContact CG1-CD1 4.3Å; V421-I453 PolarHBondContact N-O 2.83Å; V421-I453 PolarHBondContact O-N 2.82Å; F451-I453 HydrophobicContact CD1-CG1 4.09Å; F451-I453 HydrophobicContact CE1-CG1 3.84Å; I453-K455 VanDerWaalsContact C-N 3.28Å; I453-K455 PolarHBondContact O-N 2.79Å; I453-L456 HydrophobicContact CD1-CD1 4.28Å; I453-L456 HydrophobicContact CG2-CD1 4.25Å; I453-N460 HydrophobicContact CG2-CB 4.39Å; I453-Y464 HydrophobicContact CD1-CE1 4.21Å; I453-Y464 HydrophobicContact CD1-CE2 4.33Å; I453-Y464 WeakPolarHBondContact CD1-OH 3.11Å |
| 454 | E | 92.3 | Very high | 92 | Very high | 118 Ų | 118 | 76.8 Ų | 76.8 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -63.8 | -34.3 | -175.7 | -70.6 | -60.8 | 157.1 | 0 | 0 | 112.7 | R420 V452 | R420-E454 WeakPolarHBondContact CD-OE2 3.33Å; R420-E454 IonicContact CZ-OE1 2.94Å; R420-E454 IonicContact CZ-OE2 3.4Å; R420-E454 IonicContact NE-OE1 3.05Å; R420-E454 PolarHBondContact NE-OE1 3.41Å; R420-E454 IonicContact NE-OE2 3.63Å; R420-E454 PolarHBondContact NE-OE2 2.97Å; R420-E454 IonicContact NH2-OE1 2.8Å; R420-E454 PolarHBondContact NH2-OE1 3.02Å; R420-E454 IonicContact NH2-OE2 3.74Å; V452-E454 HydrophobicContact CG1-CG 4.44Å; V452-E454 VanDerWaalsContact CG1-OE1 3.28Å; V452-E454 WeakPolarHBondContact CG1-OE1 3.28Å |
| 455 | K | 92 | Very high | 92.1 | Very high | 132 Ų | 132 | 78.6 Ų | 78.6 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -144.6 | 114.6 | 176.6 | -168.9 | -179.3 | -177.2 | -179.2 | 0 | 110.2 | I453 E457 | I453-K455 VanDerWaalsContact C-N 3.28Å; I453-K455 PolarHBondContact O-N 2.79Å; K455-E457 PolarHBondContact O-N 2.93Å |
| 456 | L | 91.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 72.1 Ų | 72.1 | 14% | 0.141 | 39% | 0.391 | C | S | . | . | trans | -71.7 | 121.2 | -178 | -170.9 | 72.5 | 0 | 0 | 0 | 112.1 | A415 G418 H419 V421 I453 N460 | A415-L456 HydrophobicContact CB-CD2 3.94Å; A415-L456 VanDerWaalsContact O-CD2 3.28Å; A415-L456 WeakPolarHBondContact O-CD2 3.36Å; G418-L456 PolarHBondContact N-O 2.89Å; H419-L456 WeakPolarHBondContact O-CB 3Å; H419-L456 PolarHBondContact O-N 3.46Å; V421-L456 HydrophobicContact CG2-CB 4.48Å; V421-L456 HydrophobicContact CG2-CD1 4.42Å; V421-L456 HydrophobicContact CG2-CD2 4.37Å; I453-L456 HydrophobicContact CD1-CD1 4.28Å; I453-L456 HydrophobicContact CG2-CD1 4.25Å; L456-N460 HydrophobicContact CD1-CB 3.88Å | ||
| 457 | E | 92.4 | Very high | 92.4 | Very high | 83 Ų | 83 | 73.3 Ų | 73.3 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | trans | -121.5 | 164.9 | 175.2 | -63.7 | 175.7 | -176.7 | 0 | 0 | 111.3 | K455 K459 N460 | K455-E457 PolarHBondContact O-N 2.93Å; E457-K459 HydrophobicContact CB-CG 4.21Å; E457-K459 PolarHBondContact O-N 2.95Å; E457-K459 VanDerWaalsContact O-N 3.12Å; E457-K459 WeakPolarHBondContact OE2-CD 3.33Å; E457-K459 WeakPolarHBondContact OE2-CE 3.29Å; E457-K459 IonicContact OE2-NZ 2.68Å; E457-K459 PolarHBondContact OE2-NZ 3.41Å; E457-N460 WeakPolarHBondContact CB-OD1 3.22Å; E457-N460 PolarHBondContact N-OD1 3.27Å; E457-N460 WeakPolarHBondContact O-CB 3.33Å; E457-N460 PolarHBondContact O-N 3.3Å | ||
| 458 | A | 87.1 | Confident | 92.5 | Very high | 84 Ų | 84 | 68 Ų | 68 | 69% | 0.694 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -55.8 | -32.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N460 I461 | A458-N460 PolarHBondContact O-N 3Å; A458-I461 WeakPolarHBondContact O-CB 3.41Å; A458-I461 WeakPolarHBondContact O-CG1 3.39Å; A458-I461 PolarHBondContact O-N 3.09Å |
| 459 | K | 87.7 | Confident | 92.5 | Very high | 146 Ų | 146 | 71.4 Ų | 71.4 | 64% | 0.635 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -68.3 | -17 | 176.7 | 76.9 | -169.1 | -172.8 | -151.8 | 0 | 114.1 | F439 E457 I461 | F439-K459 WeakPolarHBondContact CZ-O 3.43Å; E457-K459 HydrophobicContact CB-CG 4.21Å; E457-K459 PolarHBondContact O-N 2.95Å; E457-K459 VanDerWaalsContact O-N 3.12Å; E457-K459 WeakPolarHBondContact OE2-CD 3.33Å; E457-K459 WeakPolarHBondContact OE2-CE 3.29Å; E457-K459 IonicContact OE2-NZ 2.68Å; E457-K459 PolarHBondContact OE2-NZ 3.41Å; K459-I461 VanDerWaalsContact C-N 3.35Å |
| 460 | N | 90 | Very high | 92.5 | Very high | 32 Ų | 32 | 69.2 Ų | 69.2 | 17% | 0.171 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -89.4 | -3.5 | 179 | -56.5 | 121.3 | 0 | 0 | 0 | 112.4 | I453 L456 E457 A458 G462 Y464 | I453-N460 HydrophobicContact CG2-CB 4.39Å; L456-N460 HydrophobicContact CD1-CB 3.88Å; E457-N460 WeakPolarHBondContact CB-OD1 3.22Å; E457-N460 PolarHBondContact N-OD1 3.27Å; E457-N460 WeakPolarHBondContact O-CB 3.33Å; E457-N460 PolarHBondContact O-N 3.3Å; A458-N460 PolarHBondContact O-N 3Å; N460-G462 PolarHBondContact O-N 3.41Å; N460-Y464 WeakPolarHBondContact O-CE2 3.19Å; N460-Y464 PolarHBondContact O-OH 2.63Å |
| 461 | I | 90.2 | Very high | 92.3 | Very high | 132 Ų | 132 | 70.3 Ų | 70.3 | 68% | 0.677 | 37% | 0.365 | S | S | * | . | trans | -74.1 | 122.3 | 175.1 | -59.3 | 173.5 | 0 | 0 | 0 | 108.1 | A458 K459 | A458-I461 WeakPolarHBondContact O-CB 3.41Å; A458-I461 WeakPolarHBondContact O-CG1 3.39Å; A458-I461 PolarHBondContact O-N 3.09Å; K459-I461 VanDerWaalsContact C-N 3.35Å | ||
| 462 | G | 91.1 | Very high | 92.1 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 166.1 | -172.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | N440 N460 Y464 | N440-G462 VanDerWaalsContact OD1-CA 3.26Å; N440-G462 WeakPolarHBondContact OD1-CA 3.19Å; N460-G462 PolarHBondContact O-N 3.41Å; G462-Y464 WeakPolarHBondContact O-CD2 3.37Å |
| 463 | N | 93.6 | Very high | 91.8 | Very high | 124 Ų | 124 | 69.5 Ų | 69.5 | 66% | 0.663 | 36% | 0.362 | S | S | * | . | trans | -89.4 | 120.3 | -179.6 | -69.7 | -17.4 | 0 | 0 | 0 | 110 | F439 N440 | F439-N463 WeakPolarHBondContact CA-O 3.42Å; N440-N463 PolarHBondContact N-O 2.95Å; N440-N463 PolarHBondContact OD1-N 2.95Å | ||
| 464 | Y | 94.3 | Very high | 91.4 | Very high | 43 Ų | 43 | 79.2 Ų | 79.2 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.8 | 171.4 | -65.5 | -94.7 | 0 | 0 | 0 | 108.6 | L423 T438 F439 F451 I453 N460 G462 | L423-Y464 HydrophobicContact CD1-CD1 3.95Å; L423-Y464 HydrophobicContact CD1-CD2 3.89Å; L423-Y464 HydrophobicContact CD1-CG 3.55Å; T438-Y464 WeakPolarHBondContact O-CA 3.25Å; F439-Y464 HydrophobicContact CB-CD1 4.45Å; F439-Y464 HydrophobicContact CB-CE1 4.34Å; F439-Y464 AromaticContact CD2-CD1 3.84Å; F439-Y464 HydrophobicContact CD2-CD1 3.84Å; F439-Y464 HydrophobicContact CD2-CD2 4.15Å; F439-Y464 AromaticContact CD2-CE1 3.41Å; F439-Y464 HydrophobicContact CD2-CE1 3.41Å; F439-Y464 VanDerWaalsContact CD2-CE1 3.41Å; F439-Y464 AromaticContact CD2-CE2 3.75Å; F439-Y464 HydrophobicContact CD2-CE2 3.75Å; F439-Y464 HydrophobicContact CD2-CG 4.19Å; F439-Y464 AromaticContact CD2-CZ 3.36Å; F439-Y464 HydrophobicContact CE2-CD2 4.37Å; F439-Y464 AromaticContact CE2-CE1 3.99Å; F439-Y464 HydrophobicContact CE2-CE1 3.99Å; F439-Y464 AromaticContact CE2-CE2 3.65Å; F439-Y464 HydrophobicContact CE2-CE2 3.65Å; F439-Y464 AromaticContact CE2-CZ 3.43Å; F439-Y464 VanDerWaalsContact CE2-CZ 3.43Å; F439-Y464 WeakPolarHBondContact CE2-OH 3.41Å; F439-Y464 HydrophobicContact CG-CE1 4.11Å; F451-Y464 HydrophobicContact CD1-CD1 4.08Å; F451-Y464 AromaticContact CD1-CE1 3.97Å; F451-Y464 HydrophobicContact CD1-CE1 3.97Å; F451-Y464 AromaticContact CE1-CD1 3.9Å; F451-Y464 HydrophobicContact CE1-CD1 3.9Å; F451-Y464 AromaticContact CE1-CE1 3.41Å; F451-Y464 HydrophobicContact CE1-CE1 3.41Å; F451-Y464 VanDerWaalsContact CE1-CE1 3.41Å; F451-Y464 HydrophobicContact CZ-CD1 4.24Å; F451-Y464 AromaticContact CZ-CE1 3.86Å; F451-Y464 HydrophobicContact CZ-CE1 3.86Å; I453-Y464 HydrophobicContact CD1-CE1 4.21Å; I453-Y464 HydrophobicContact CD1-CE2 4.33Å; I453-Y464 WeakPolarHBondContact CD1-OH 3.11Å; N460-Y464 WeakPolarHBondContact O-CE2 3.19Å; N460-Y464 PolarHBondContact O-OH 2.63Å; G462-Y464 WeakPolarHBondContact O-CD2 3.37Å |
| 465 | T | 94.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 79.8 Ų | 79.8 | 47% | 0.466 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.2 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 109 | T438 | T438-T465 PolarHBondContact N-O 2.87Å; T438-T465 PolarHBondContact O-N 3.2Å; T438-T465 WeakPolarHBondContact OG1-CB 3.27Å; T438-T465 PolarHBondContact OG1-O 3.2Å |
| 466 | C | 94.7 | Very high | 90.8 | Very high | 12 Ų | 12 | 77.2 Ų | 77.2 | 8% | 0.081 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137.4 | 170.9 | 175 | 0 | 0 | 0 | 0 | 110.1 | V409 C425 S436 W437 | V409-C466 HydrophobicContact CG2-CB 3.6Å; C425-C466 HydrophobicContact CB-CB 3.62Å; C425-C466 WeakPolarHBondContact CB-SG 3.32Å; C425-C466 WeakPolarHBondContact SG-CB 3.43Å; C425-C466 CovalentContact SG-SG 2.01Å; C425-C466 PolarHBondContact SG-SG 3.34Å; S436-C466 WeakPolarHBondContact O-CA 3.5Å; W437-C466 HydrophobicContact CD2-CB 4.01Å; W437-C466 HydrophobicContact CE3-CB 3.92Å; W437-C466 HydrophobicContact CH2-CB 4.03Å; W437-C466 HydrophobicContact CZ2-CB 4.11Å; W437-C466 HydrophobicContact CZ3-CB 3.92Å |
| 467 | T | 93.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 79.8 Ų | 79.8 | 40% | 0.399 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143.7 | 166.1 | 62.6 | 0 | 0 | 0 | 0 | 109.1 | F435 S436 | F435-T467 CarbonylContact C-O 3.56Å; F435-T467 VanDerWaalsContact CA-O 3.3Å; F435-T467 WeakPolarHBondContact CA-O 3.35Å; S436-T467 PolarHBondContact N-O 3.21Å; S436-T467 PolarHBondContact O-N 2.93Å; S436-T467 PolarHBondContact O-OG1 3.34Å; S436-T467 PolarHBondContact OG-OG1 2.88Å |
| 468 | A | 95.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 79.7 Ų | 79.7 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P404 I407 A427 A433 N434 F435 | P404-A468 HydrophobicContact CB-CB 3.98Å; P404-A468 HydrophobicContact CG-CB 4.17Å; P404-A468 VanDerWaalsContact CG-O 3.22Å; P404-A468 WeakPolarHBondContact CG-O 3.47Å; I407-A468 HydrophobicContact CD1-CB 3.82Å; I407-A468 HydrophobicContact CG1-CB 3.92Å; I407-A468 HydrophobicContact CG2-CB 4.26Å; A427-A468 HydrophobicContact CB-CB 3.75Å; A433-A468 HydrophobicContact CB-CB 3.96Å; N434-A468 CarbonylContact O-C 3.54Å; N434-A468 VanDerWaalsContact O-CA 3.29Å; N434-A468 WeakPolarHBondContact O-CA 3.45Å; F435-A468 HydrophobicContact CD1-CB 3.72Å; F435-A468 HydrophobicContact CE1-CB 3.63Å |
| 469 | R | 93 | Very high | 90.9 | Very high | 153 Ų | 153 | 79.4 Ų | 79.4 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.2 | -177.4 | -166.1 | 177.1 | -171.7 | 179.3 | 2.3 | 111.3 | A433 N434 K475 | A433-R469 CarbonylContact C-O 3.54Å; A433-R469 WeakPolarHBondContact CA-O 3.47Å; N434-R469 PolarHBondContact N-O 2.78Å; N434-R469 PolarHBondContact O-N 3.49Å; R469-K475 CarbonylContact C-O 3.58Å; R469-K475 WeakPolarHBondContact CA-O 3.5Å; R469-K475 WeakPolarHBondContact CG-O 3.41Å |
| 470 | N | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -100.1 | 117.2 | 172.6 | 179.9 | -33.3 | 0 | 0 | 0 | 109.3 | Y402 P404 S429 V430 V472 T473 R474 K475 | Y402-N470 PolarHBondContact O-ND2 3.08Å; P404-N470 HydrophobicContact CG-CB 4.37Å; S429-N470 PolarHBondContact OG-ND2 3Å; V430-N470 PolarHBondContact O-ND2 2.73Å; N470-V472 PolarHBondContact O-N 3.48Å; N470-V472 WeakPolarHBondContact OD1-CB 3.38Å; N470-V472 PolarHBondContact OD1-N 2.91Å; N470-T473 VanDerWaalsContact CB-OG1 3.29Å; N470-T473 WeakPolarHBondContact CB-OG1 3.46Å; N470-T473 PolarHBondContact OD1-N 3.22Å; N470-T473 VanDerWaalsContact OD1-N 3.14Å; N470-R474 WeakPolarHBondContact O-CA 3.28Å; N470-R474 PolarHBondContact O-N 3.24Å; N470-K475 PolarHBondContact N-O 3.07Å | ||
| 471 | M | 89.8 | Confident | 91.2 | Very high | 120 Ų | 120 | 78.1 Ų | 78.1 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.7 | -173.8 | -62.1 | -60.6 | -68.3 | 0 | 0 | 113.4 | ||
| 472 | V | 90.4 | Very high | 91.2 | Very high | 50 Ų | 50 | 74.3 Ų | 74.3 | 30% | 0.303 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -48.7 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 111 | V323 I325 N401 P431 N470 R474 | V323-V472 HydrophobicContact CG1-CG1 3.64Å; I325-V472 HydrophobicContact CD1-CG1 4.48Å; I325-V472 HydrophobicContact CG1-CG1 4.38Å; N401-V472 HydrophobicContact CB-CB 4.31Å; N401-V472 HydrophobicContact CB-CG1 3.8Å; P431-V472 HydrophobicContact CG-CB 4.46Å; P431-V472 HydrophobicContact CG-CG2 3.69Å; N470-V472 PolarHBondContact O-N 3.48Å; N470-V472 WeakPolarHBondContact OD1-CB 3.38Å; N470-V472 PolarHBondContact OD1-N 2.91Å; V472-R474 PolarHBondContact O-N 3.07Å |
| 473 | T | 89.6 | Confident | 91.2 | Very high | 12 Ų | 12 | 77.5 Ų | 77.5 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -13.8 | 178.9 | 67.6 | 0 | 0 | 0 | 0 | 112.6 | I325 N401 G403 N470 K475 | I325-T473 HydrophobicContact CG2-CG2 4.22Å; N401-T473 HydrophobicContact CB-CG2 4.23Å; G403-T473 PolarHBondContact O-OG1 3.36Å; N470-T473 VanDerWaalsContact CB-OG1 3.29Å; N470-T473 WeakPolarHBondContact CB-OG1 3.46Å; N470-T473 PolarHBondContact OD1-N 3.22Å; N470-T473 VanDerWaalsContact OD1-N 3.14Å; T473-K475 PolarHBondContact O-N 3.36Å; T473-K475 PolarHBondContact OG1-N 3.12Å |
| 474 | R | 84.6 | Confident | 91.1 | Very high | 215 Ų | 215 | 73.7 Ų | 73.7 | 81% | 0.811 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 22.5 | -174.2 | -56.6 | -174.2 | 179.1 | -176.6 | 0.8 | 113.8 | N470 V472 | N470-R474 WeakPolarHBondContact O-CA 3.28Å; N470-R474 PolarHBondContact O-N 3.24Å; V472-R474 PolarHBondContact O-N 3.07Å |
| 475 | K | 80.8 | Confident | 90.8 | Very high | 131 Ų | 131 | 76.5 Ų | 76.5 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | trans | -93.9 | 0 | 173.3 | -69.1 | -174.7 | -179.7 | 177.8 | 0 | 112.1 | P404 R469 N470 T473 | P404-K475 WeakPolarHBondContact CD-O 3.44Å; R469-K475 CarbonylContact C-O 3.58Å; R469-K475 WeakPolarHBondContact CA-O 3.5Å; R469-K475 WeakPolarHBondContact CG-O 3.41Å; N470-K475 PolarHBondContact N-O 3.07Å; T473-K475 PolarHBondContact O-N 3.36Å; T473-K475 PolarHBondContact OG1-N 3.12Å |
Retrieved 475 of 475 residues in 409.8 ms
(Link to these results)